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 2g5f_1_C DATA FIRST_RESID 15 DATA SEQUENCE SSSIPMPAGV NPADLAAELA AVVTESVDED YLLYECDGQW VLAAGVQAMV DATA SEQUENCE ELDSDELRVI RDGVTRRQQW SGRPGAALGE AVDRLLLETD QAFGWVAFEF DATA SEQUENCE GVHRYGLQQR LAPHTPLARV FSPRTRIMVS EKEIRLFDAG IRHREAIDRL DATA SEQUENCE LATGVREVPQ SRSVDVSDDP SGFRRRVAVA VDEIAAGRYH KVILSRCVEV DATA SEQUENCE PFAIDFPLTY RLGRRHNTPV RSFLLQLGGI RALGYSPELV TAVRADGVVI DATA SEQUENCE TEPLAGTRAL GRGPAIDRLA RDDLESNSKE IVEHAISVRS SLEEITDIAE DATA SEQUENCE PGSAAVIDFM TVRERGSVQH LGSTIRARLD PSSDRMAALE ALFPAVTASG DATA SEQUENCE IPKAAGVEAI FRLDECPRGL YSGAVVMLSA DGGLDAALTL RAAYQVGGRT DATA SEQUENCE WLRAGAGIIE ESEPEREFEE TCEKLSTLTP YLVAR 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.451 174.600 -0.248 0.000 1.055 15 S CA 0.000 58.018 58.200 -0.303 0.000 1.107 15 S CB 0.000 62.718 63.200 -0.804 0.000 0.593 16 S N 0.883 116.436 115.700 -0.244 0.000 2.509 16 S HA 0.888 5.359 4.470 0.001 0.000 0.297 16 S C -0.197 174.298 174.600 -0.175 0.000 1.118 16 S CA -0.213 57.893 58.200 -0.158 0.000 1.074 16 S CB 1.253 64.393 63.200 -0.099 0.000 1.038 16 S HN 1.928 nan 8.310 nan 0.000 0.498 17 S N 2.510 118.140 115.700 -0.116 0.000 2.526 17 S HA 0.728 5.199 4.470 0.001 0.000 0.293 17 S C -0.689 173.880 174.600 -0.051 0.000 1.092 17 S CA -0.888 57.258 58.200 -0.089 0.000 0.980 17 S CB 1.124 64.280 63.200 -0.074 0.000 1.048 17 S HN 1.063 nan 8.310 nan 0.000 0.483 18 I N 1.728 122.276 120.570 -0.037 0.000 2.465 18 I HA 0.562 4.732 4.170 0.001 0.000 0.291 18 I C -2.971 173.138 176.117 -0.014 0.000 1.014 18 I CA -2.817 58.469 61.300 -0.024 0.000 1.093 18 I CB 2.277 40.263 38.000 -0.023 0.000 1.267 18 I HN 0.414 nan 8.210 nan 0.000 0.431 19 P HA 0.048 nan 4.420 nan 0.000 0.266 19 P C -0.725 176.571 177.300 -0.007 0.000 1.195 19 P CA -0.124 62.973 63.100 -0.005 0.000 0.768 19 P CB 0.385 32.081 31.700 -0.006 0.000 0.838 20 M N 6.245 125.843 119.600 -0.003 0.000 2.184 20 M HA 0.287 4.768 4.480 0.001 0.000 0.351 20 M C -2.299 173.992 176.300 -0.015 0.000 1.395 20 M CA -2.350 52.945 55.300 -0.009 0.000 1.117 20 M CB -0.076 32.522 32.600 -0.004 0.000 1.708 20 M HN 0.118 nan 8.290 nan 0.000 0.468 21 P HA 0.123 nan 4.420 nan 0.000 0.261 21 P C -1.128 176.157 177.300 -0.025 0.000 1.203 21 P CA 0.088 63.174 63.100 -0.023 0.000 0.767 21 P CB 0.095 31.779 31.700 -0.027 0.000 0.785 22 A N 3.870 126.679 122.820 -0.019 0.000 2.548 22 A HA 0.399 4.720 4.320 0.001 0.000 0.247 22 A C 1.606 179.175 177.584 -0.025 0.000 1.067 22 A CA 0.948 52.974 52.037 -0.019 0.000 0.757 22 A CB -0.997 17.995 19.000 -0.013 0.000 0.996 22 A HN 0.845 nan 8.150 nan 0.000 0.504 23 G N 0.875 109.656 108.800 -0.030 0.000 2.307 23 G HA2 -0.104 3.857 3.960 0.001 0.000 0.210 23 G HA3 -0.104 3.857 3.960 0.001 0.000 0.210 23 G C 0.374 175.244 174.900 -0.051 0.000 1.005 23 G CA 0.110 45.188 45.100 -0.037 0.000 0.634 23 G HN 1.902 nan 8.290 nan 0.000 0.496 24 V N 2.100 121.980 119.914 -0.057 0.000 2.407 24 V HA 0.644 4.764 4.120 0.001 0.000 0.278 24 V C 0.059 176.089 176.094 -0.107 0.000 1.037 24 V CA -0.853 61.401 62.300 -0.078 0.000 0.900 24 V CB 0.924 32.703 31.823 -0.073 0.000 0.983 24 V HN 0.347 nan 8.190 nan 0.000 0.459 25 N N 8.138 126.755 118.700 -0.137 0.000 2.483 25 N HA 0.240 4.981 4.740 0.001 0.000 0.264 25 N C -1.940 173.383 175.510 -0.312 0.000 1.197 25 N CA -0.947 51.983 53.050 -0.200 0.000 0.927 25 N CB 1.017 39.382 38.487 -0.203 0.000 1.065 25 N HN 0.416 nan 8.380 nan 0.000 0.461 26 P HA -0.186 nan 4.420 nan 0.000 0.216 26 P C 0.744 177.445 177.300 -0.999 0.000 1.150 26 P CA 1.316 64.052 63.100 -0.607 0.000 0.837 26 P CB 0.203 31.552 31.700 -0.584 0.000 0.786 27 A N -0.165 121.872 122.820 -1.306 0.000 1.902 27 A HA -0.231 4.090 4.320 0.001 0.000 0.217 27 A C 2.025 179.394 177.584 -0.357 0.000 1.181 27 A CA 2.048 53.495 52.037 -0.983 0.000 0.623 27 A CB -1.318 17.434 19.000 -0.412 0.000 0.818 27 A HN 0.115 nan 8.150 nan 0.000 0.443 28 D N -0.472 119.757 120.400 -0.285 0.000 2.097 28 D HA -0.112 4.528 4.640 0.001 0.000 0.197 28 D C 1.915 178.134 176.300 -0.135 0.000 0.984 28 D CA 1.341 55.253 54.000 -0.147 0.000 0.826 28 D CB -0.450 40.271 40.800 -0.133 0.000 0.973 28 D HN 0.337 nan 8.370 nan 0.000 0.460 29 L N 1.292 122.407 121.223 -0.180 0.000 2.012 29 L HA -0.123 4.218 4.340 0.001 0.000 0.210 29 L C 2.218 179.013 176.870 -0.125 0.000 1.073 29 L CA 1.863 56.622 54.840 -0.135 0.000 0.748 29 L CB -0.765 41.214 42.059 -0.134 0.000 0.891 29 L HN -0.041 nan 8.230 nan 0.000 0.431 30 A N -0.650 122.062 122.820 -0.181 0.000 1.902 30 A HA -0.108 4.213 4.320 0.001 0.000 0.217 30 A C 2.423 179.956 177.584 -0.086 0.000 1.181 30 A CA 1.878 53.847 52.037 -0.112 0.000 0.623 30 A CB -1.168 17.762 19.000 -0.117 0.000 0.818 30 A HN 0.572 nan 8.150 nan 0.000 0.443 31 A N -0.732 122.054 122.820 -0.057 0.000 1.930 31 A HA -0.070 4.250 4.320 0.001 0.000 0.217 31 A C 1.947 179.498 177.584 -0.054 0.000 1.175 31 A CA 1.938 53.961 52.037 -0.025 0.000 0.627 31 A CB -0.381 18.719 19.000 0.167 0.000 0.815 31 A HN 0.510 nan 8.150 nan 0.000 0.443 32 E N -0.591 119.581 120.200 -0.048 0.000 2.107 32 E HA -0.100 4.251 4.350 0.001 0.000 0.191 32 E C 1.735 178.291 176.600 -0.073 0.000 0.982 32 E CA 0.570 56.942 56.400 -0.047 0.000 0.809 32 E CB -0.223 29.453 29.700 -0.041 0.000 0.756 32 E HN 0.342 nan 8.360 nan 0.000 0.459 33 L N 0.275 121.446 121.223 -0.087 0.000 2.042 33 L HA -0.093 4.247 4.340 0.001 0.000 0.210 33 L C 2.182 178.959 176.870 -0.155 0.000 1.076 33 L CA 2.077 56.864 54.840 -0.088 0.000 0.749 33 L CB -1.292 40.723 42.059 -0.073 0.000 0.893 33 L HN 0.219 nan 8.230 nan 0.000 0.432 34 A N -0.972 121.685 122.820 -0.272 0.000 1.877 34 A HA -0.156 4.165 4.320 0.001 0.000 0.216 34 A C 2.474 179.787 177.584 -0.452 0.000 1.186 34 A CA 1.937 53.614 52.037 -0.600 0.000 0.620 34 A CB -1.005 17.420 19.000 -0.959 0.000 0.822 34 A HN 0.444 nan 8.150 nan 0.000 0.443 35 A N -0.614 122.069 122.820 -0.228 0.000 1.883 35 A HA -0.057 4.263 4.320 0.001 0.000 0.217 35 A C 2.250 179.808 177.584 -0.044 0.000 1.186 35 A CA 2.020 54.013 52.037 -0.074 0.000 0.624 35 A CB -0.991 18.001 19.000 -0.014 0.000 0.822 35 A HN 0.434 nan 8.150 nan 0.000 0.444 36 V N -0.553 119.329 119.914 -0.052 0.000 2.358 36 V HA -0.190 3.931 4.120 0.001 0.000 0.246 36 V C 2.557 178.642 176.094 -0.015 0.000 1.047 36 V CA 1.823 64.108 62.300 -0.025 0.000 1.035 36 V CB -0.621 31.189 31.823 -0.022 0.000 0.658 36 V HN 0.371 nan 8.190 nan 0.000 0.452 37 V N -0.522 119.378 119.914 -0.024 0.000 2.358 37 V HA -0.263 3.858 4.120 0.001 0.000 0.246 37 V C 2.638 178.758 176.094 0.043 0.000 1.047 37 V CA 2.580 64.898 62.300 0.031 0.000 1.035 37 V CB -0.799 31.068 31.823 0.073 0.000 0.658 37 V HN 0.627 nan 8.190 nan 0.000 0.452 38 T N -0.640 113.938 114.554 0.040 0.000 2.867 38 T HA -0.157 4.194 4.350 0.001 0.000 0.268 38 T C 1.947 176.689 174.700 0.071 0.000 1.057 38 T CA 2.101 64.272 62.100 0.118 0.000 1.136 38 T CB -0.081 68.933 68.868 0.244 0.000 0.874 38 T HN 0.757 nan 8.240 nan 0.000 0.466 39 E N 0.890 121.116 120.200 0.042 0.000 2.021 39 E HA -0.047 4.303 4.350 0.001 0.000 0.189 39 E C 2.356 178.963 176.600 0.011 0.000 0.980 39 E CA 1.659 58.076 56.400 0.028 0.000 0.803 39 E CB -1.184 28.529 29.700 0.022 0.000 0.766 39 E HN 0.756 nan 8.360 nan 0.000 0.449 40 S N -0.181 115.517 115.700 -0.004 0.000 2.402 40 S HA -0.038 4.433 4.470 0.001 0.000 0.229 40 S C 1.860 176.435 174.600 -0.042 0.000 1.021 40 S CA 1.402 59.587 58.200 -0.024 0.000 0.974 40 S CB 0.104 63.282 63.200 -0.037 0.000 0.800 40 S HN 0.408 nan 8.310 nan 0.000 0.484 41 V N 1.441 121.331 119.914 -0.040 0.000 3.528 41 V HA 0.176 4.297 4.120 0.001 0.000 0.294 41 V C -0.333 175.759 176.094 -0.002 0.000 1.404 41 V CA 0.097 62.364 62.300 -0.054 0.000 1.065 41 V CB -0.790 30.961 31.823 -0.119 0.000 0.904 41 V HN 0.390 nan 8.190 nan 0.000 0.435 42 D N 1.610 122.020 120.400 0.017 0.000 2.697 42 D HA -0.174 4.466 4.640 0.001 0.000 0.238 42 D C 0.224 176.546 176.300 0.036 0.000 1.152 42 D CA 0.904 54.919 54.000 0.026 0.000 0.666 42 D CB -0.491 40.316 40.800 0.012 0.000 1.037 42 D HN 0.621 nan 8.370 nan 0.000 0.423 43 E N 0.031 120.273 120.200 0.069 0.000 2.277 43 E HA 0.346 4.696 4.350 0.001 0.000 0.266 43 E C -0.262 176.391 176.600 0.089 0.000 0.901 43 E CA -0.891 55.553 56.400 0.075 0.000 0.782 43 E CB 1.600 31.374 29.700 0.123 0.000 1.228 43 E HN -0.065 nan 8.360 nan 0.000 0.424 44 D N 0.545 120.934 120.400 -0.018 0.000 2.354 44 D HA 0.305 4.946 4.640 0.001 0.000 0.247 44 D C -0.731 175.537 176.300 -0.054 0.000 1.138 44 D CA 0.367 54.285 54.000 -0.137 0.000 0.958 44 D CB 0.595 41.223 40.800 -0.287 0.000 1.144 44 D HN 0.327 nan 8.370 nan 0.000 0.458 45 Y N -1.502 118.728 120.300 -0.117 0.000 2.713 45 Y HA 0.582 5.132 4.550 0.001 0.000 0.335 45 Y C -2.152 173.786 175.900 0.063 0.000 1.222 45 Y CA -1.396 56.695 58.100 -0.016 0.000 1.061 45 Y CB 1.003 39.467 38.460 0.006 0.000 1.314 45 Y HN 0.180 nan 8.280 nan 0.000 0.453 46 L N 3.385 124.833 121.223 0.375 0.000 2.516 46 L HA 0.620 4.960 4.340 0.001 0.000 0.267 46 L C -2.193 174.821 176.870 0.241 0.000 0.957 46 L CA -0.844 54.178 54.840 0.303 0.000 0.860 46 L CB 1.490 43.767 42.059 0.363 0.000 1.265 46 L HN 0.858 nan 8.230 nan 0.000 0.403 47 L N 6.100 127.503 121.223 0.301 0.000 2.296 47 L HA 0.551 4.891 4.340 0.001 0.000 0.286 47 L C -1.796 175.256 176.870 0.303 0.000 1.023 47 L CA -0.139 54.828 54.840 0.211 0.000 0.812 47 L CB 1.455 43.581 42.059 0.111 0.000 1.223 47 L HN 0.640 nan 8.230 nan 0.000 0.421 48 Y N 4.016 124.394 120.300 0.130 0.000 2.361 48 Y HA 0.406 4.956 4.550 0.001 0.000 0.337 48 Y C -0.495 175.407 175.900 0.003 0.000 0.965 48 Y CA -0.623 57.559 58.100 0.136 0.000 1.091 48 Y CB 1.407 39.984 38.460 0.196 0.000 1.182 48 Y HN 0.702 nan 8.280 nan 0.000 0.450 49 E N 5.731 125.651 120.200 -0.467 0.000 2.146 49 E HA 0.396 4.746 4.350 0.001 0.000 0.282 49 E C -1.673 174.504 176.600 -0.706 0.000 0.989 49 E CA -0.386 55.552 56.400 -0.771 0.000 0.799 49 E CB 0.911 30.086 29.700 -0.875 0.000 1.088 49 E HN 0.695 nan 8.360 nan 0.000 0.397 50 C N 5.743 124.751 119.300 -0.486 0.000 2.522 50 C HA 0.207 4.668 4.460 0.001 0.000 0.344 50 C C -1.088 173.782 174.990 -0.199 0.000 1.104 50 C CA -0.538 58.317 59.018 -0.272 0.000 1.317 50 C CB -0.234 27.490 27.740 -0.026 0.000 1.896 50 C HN 0.922 nan 8.230 nan 0.000 0.443 51 D N 4.395 124.687 120.400 -0.180 0.000 2.735 51 D HA -0.161 4.480 4.640 0.001 0.000 0.235 51 D C 1.221 177.461 176.300 -0.101 0.000 1.175 51 D CA 2.143 56.077 54.000 -0.110 0.000 0.683 51 D CB -1.087 39.685 40.800 -0.047 0.000 1.008 51 D HN 1.754 nan 8.370 nan 0.000 0.416 52 G N -0.049 108.643 108.800 -0.180 0.000 2.168 52 G HA2 -0.364 3.597 3.960 0.001 0.000 0.263 52 G HA3 -0.364 3.597 3.960 0.001 0.000 0.263 52 G C 0.208 175.131 174.900 0.038 0.000 0.977 52 G CA 0.805 45.875 45.100 -0.050 0.000 0.659 52 G HN 0.610 nan 8.290 nan 0.000 0.533 53 Q N -0.418 119.315 119.800 -0.113 0.000 2.325 53 Q HA 0.573 4.913 4.340 0.001 0.000 0.270 53 Q C -0.661 175.321 176.000 -0.030 0.000 1.020 53 Q CA -0.883 54.959 55.803 0.064 0.000 0.785 53 Q CB 0.761 29.536 28.738 0.062 0.000 1.259 53 Q HN 0.306 nan 8.270 nan 0.000 0.452 54 W N 4.978 126.327 121.300 0.082 0.000 2.314 54 W HA 0.500 5.161 4.660 0.001 0.000 0.310 54 W C -1.012 175.564 176.519 0.095 0.000 1.075 54 W CA -0.712 56.686 57.345 0.088 0.000 1.253 54 W CB 1.597 31.102 29.460 0.075 0.000 1.238 54 W HN 0.344 nan 8.180 nan 0.000 0.440 55 V N 6.260 126.330 119.914 0.261 0.000 2.357 55 V HA 0.198 4.319 4.120 0.001 0.000 0.284 55 V C -0.279 175.863 176.094 0.080 0.000 1.018 55 V CA -0.833 61.578 62.300 0.186 0.000 0.841 55 V CB 1.420 33.383 31.823 0.233 0.000 0.991 55 V HN 0.276 nan 8.190 nan 0.000 0.437 56 L N 5.536 126.774 121.223 0.025 0.000 2.262 56 L HA 0.810 5.151 4.340 0.001 0.000 0.288 56 L C 0.382 177.153 176.870 -0.164 0.000 1.035 56 L CA -0.240 54.575 54.840 -0.041 0.000 0.820 56 L CB 0.903 42.949 42.059 -0.021 0.000 1.204 56 L HN 0.712 nan 8.230 nan 0.000 0.424 57 A N 5.065 127.698 122.820 -0.313 0.000 2.260 57 A HA 0.843 5.163 4.320 0.001 0.000 0.312 57 A C -0.206 177.410 177.584 0.053 0.000 1.321 57 A CA 0.010 51.811 52.037 -0.394 0.000 0.928 57 A CB 0.226 18.537 19.000 -1.147 0.000 1.158 57 A HN 1.016 nan 8.150 nan 0.000 0.542 58 A N 2.352 125.214 122.820 0.069 0.000 2.342 58 A HA 0.906 5.227 4.320 0.001 0.000 0.323 58 A C 0.486 178.168 177.584 0.164 0.000 1.125 58 A CA 0.016 52.138 52.037 0.141 0.000 0.785 58 A CB 0.735 19.768 19.000 0.057 0.000 1.221 58 A HN 2.785 nan 8.150 nan 0.000 0.463 59 G N -0.333 108.563 108.800 0.159 0.000 2.767 59 G HA2 0.190 4.151 3.960 0.001 0.000 0.686 59 G HA3 0.190 4.151 3.960 0.001 0.000 0.686 59 G C -0.717 174.266 174.900 0.138 0.000 1.213 59 G CA -0.364 44.812 45.100 0.126 0.000 0.803 59 G HN 1.636 nan 8.290 nan 0.000 0.603 60 V N 3.424 123.371 119.914 0.054 0.000 2.311 60 V HA 0.369 4.490 4.120 0.001 0.000 0.275 60 V C 1.375 177.539 176.094 0.116 0.000 1.022 60 V CA 0.591 62.944 62.300 0.090 0.000 0.830 60 V CB 1.155 32.932 31.823 -0.077 0.000 1.012 60 V HN 0.976 nan 8.190 nan 0.000 0.452 61 Q N 4.266 124.165 119.800 0.165 0.000 2.096 61 Q HA 0.237 4.578 4.340 0.001 0.000 0.197 61 Q C 0.690 176.741 176.000 0.085 0.000 0.964 61 Q CA 1.265 57.132 55.803 0.106 0.000 0.838 61 Q CB 0.422 29.219 28.738 0.099 0.000 0.906 61 Q HN 0.848 nan 8.270 nan 0.000 0.444 62 A N 0.568 123.455 122.820 0.111 0.000 2.488 62 A HA 0.606 4.927 4.320 0.001 0.000 0.298 62 A C -1.541 176.108 177.584 0.108 0.000 1.044 62 A CA -0.706 51.376 52.037 0.075 0.000 0.693 62 A CB 1.585 20.609 19.000 0.041 0.000 1.272 62 A HN 0.294 nan 8.150 nan 0.000 0.402 63 M N 2.809 122.447 119.600 0.064 0.000 2.253 63 M HA 0.625 5.105 4.480 0.001 0.000 0.314 63 M C -1.781 174.519 176.300 -0.001 0.000 1.019 63 M CA -0.445 54.891 55.300 0.059 0.000 0.932 63 M CB 1.740 34.354 32.600 0.023 0.000 1.606 63 M HN 0.388 nan 8.290 nan 0.000 0.430 64 V N 5.215 125.109 119.914 -0.033 0.000 2.370 64 V HA 0.445 4.565 4.120 0.001 0.000 0.283 64 V C -0.571 175.445 176.094 -0.131 0.000 1.023 64 V CA -0.509 61.738 62.300 -0.089 0.000 0.857 64 V CB 1.313 33.059 31.823 -0.127 0.000 0.985 64 V HN 0.809 nan 8.190 nan 0.000 0.443 65 E N 4.607 124.739 120.200 -0.114 0.000 2.145 65 E HA 0.436 4.787 4.350 0.001 0.000 0.262 65 E C -1.150 175.368 176.600 -0.137 0.000 0.883 65 E CA -0.814 55.508 56.400 -0.131 0.000 0.748 65 E CB 2.483 32.146 29.700 -0.062 0.000 1.140 65 E HN 0.429 nan 8.360 nan 0.000 0.417 66 L N 3.567 124.666 121.223 -0.206 0.000 2.287 66 L HA 0.414 4.755 4.340 0.001 0.000 0.287 66 L C -0.948 175.866 176.870 -0.093 0.000 1.022 66 L CA -0.123 54.579 54.840 -0.230 0.000 0.814 66 L CB 0.788 42.621 42.059 -0.376 0.000 1.217 66 L HN 0.351 nan 8.230 nan 0.000 0.420 67 D N 1.176 121.610 120.400 0.057 0.000 2.467 67 D HA 0.373 5.014 4.640 0.001 0.000 0.245 67 D C 0.932 177.457 176.300 0.376 0.000 1.038 67 D CA 0.219 54.330 54.000 0.184 0.000 1.038 67 D CB 2.056 42.969 40.800 0.189 0.000 1.278 67 D HN 0.577 nan 8.370 nan 0.000 0.564 68 S N -0.375 115.534 115.700 0.349 0.000 2.419 68 S HA -0.181 4.290 4.470 0.001 0.000 0.233 68 S C 0.753 175.526 174.600 0.289 0.000 1.016 68 S CA 1.229 59.684 58.200 0.425 0.000 0.974 68 S CB -0.173 63.187 63.200 0.267 0.000 0.786 68 S HN 0.547 nan 8.310 nan 0.000 0.492 69 D N -0.383 120.124 120.400 0.180 0.000 2.500 69 D HA 0.315 4.956 4.640 0.001 0.000 0.217 69 D C 0.152 176.494 176.300 0.069 0.000 1.159 69 D CA -0.292 53.699 54.000 -0.015 0.000 0.828 69 D CB -0.021 40.695 40.800 -0.140 0.000 1.039 69 D HN 0.633 nan 8.370 nan 0.000 0.512 70 E N -0.351 120.045 120.200 0.327 0.000 2.388 70 E HA 0.444 4.794 4.350 0.001 0.000 0.280 70 E C -2.163 174.642 176.600 0.342 0.000 1.019 70 E CA -1.006 55.581 56.400 0.312 0.000 0.806 70 E CB 1.830 31.626 29.700 0.160 0.000 1.246 70 E HN -0.001 nan 8.360 nan 0.000 0.443 71 L N 2.975 124.349 121.223 0.251 0.000 2.356 71 L HA 0.606 4.947 4.340 0.001 0.000 0.277 71 L C -1.401 175.493 176.870 0.040 0.000 0.996 71 L CA -0.174 54.700 54.840 0.057 0.000 0.822 71 L CB 1.368 43.427 42.059 0.000 0.000 1.256 71 L HN 0.549 nan 8.230 nan 0.000 0.413 72 R N 3.759 124.260 120.500 0.001 0.000 2.670 72 R HA 0.830 5.171 4.340 0.001 0.000 0.289 72 R C -1.530 174.758 176.300 -0.020 0.000 0.965 72 R CA -0.995 55.108 56.100 0.005 0.000 0.899 72 R CB 2.505 32.816 30.300 0.018 0.000 1.173 72 R HN 0.442 nan 8.270 nan 0.000 0.456 73 V N 4.745 124.652 119.914 -0.011 0.000 2.443 73 V HA 0.428 4.549 4.120 0.001 0.000 0.293 73 V C -0.366 175.726 176.094 -0.003 0.000 1.021 73 V CA -0.617 61.673 62.300 -0.016 0.000 0.848 73 V CB 1.646 33.458 31.823 -0.019 0.000 0.998 73 V HN 0.612 nan 8.190 nan 0.000 0.424 74 I N 5.261 125.831 120.570 -0.000 0.000 2.339 74 I HA 0.658 4.829 4.170 0.001 0.000 0.290 74 I C -0.019 176.105 176.117 0.012 0.000 0.994 74 I CA -0.436 60.868 61.300 0.006 0.000 1.191 74 I CB 1.434 39.437 38.000 0.005 0.000 1.343 74 I HN 0.534 nan 8.210 nan 0.000 0.458 75 R N 4.192 124.700 120.500 0.013 0.000 2.522 75 R HA 0.421 4.762 4.340 0.001 0.000 0.283 75 R C -0.302 176.008 176.300 0.016 0.000 1.074 75 R CA 0.486 56.597 56.100 0.018 0.000 0.925 75 R CB 1.765 32.075 30.300 0.015 0.000 1.205 75 R HN 0.839 nan 8.270 nan 0.000 0.436 76 D N 1.926 122.338 120.400 0.020 0.000 2.689 76 D HA -0.131 4.509 4.640 0.001 0.000 0.237 76 D C 0.896 177.204 176.300 0.014 0.000 1.148 76 D CA 1.549 55.559 54.000 0.018 0.000 0.656 76 D CB -1.899 38.911 40.800 0.017 0.000 1.050 76 D HN 1.399 nan 8.370 nan 0.000 0.426 77 G N -2.796 106.012 108.800 0.013 0.000 2.245 77 G HA2 0.071 4.032 3.960 0.001 0.000 0.264 77 G HA3 0.071 4.032 3.960 0.001 0.000 0.264 77 G C 0.999 175.905 174.900 0.010 0.000 0.985 77 G CA 1.150 46.256 45.100 0.010 0.000 0.625 77 G HN 2.151 nan 8.290 nan 0.000 0.536 78 V N 1.650 121.570 119.914 0.011 0.000 2.472 78 V HA 0.744 4.864 4.120 0.001 0.000 0.290 78 V C 0.143 176.244 176.094 0.011 0.000 1.037 78 V CA 0.395 62.701 62.300 0.011 0.000 0.908 78 V CB 1.765 33.594 31.823 0.010 0.000 0.985 78 V HN 0.300 nan 8.190 nan 0.000 0.454 79 T N 7.708 122.269 114.554 0.012 0.000 2.758 79 T HA 0.508 4.859 4.350 0.001 0.000 0.285 79 T C -0.280 174.429 174.700 0.015 0.000 0.981 79 T CA -0.507 61.601 62.100 0.014 0.000 0.965 79 T CB 0.423 69.302 68.868 0.018 0.000 0.927 79 T HN 0.583 nan 8.240 nan 0.000 0.448 80 R N 3.682 124.190 120.500 0.013 0.000 2.207 80 R HA 0.422 4.763 4.340 0.001 0.000 0.334 80 R C 0.055 176.368 176.300 0.021 0.000 1.013 80 R CA -0.430 55.679 56.100 0.014 0.000 0.858 80 R CB 1.286 31.591 30.300 0.009 0.000 1.094 80 R HN 0.626 nan 8.270 nan 0.000 0.457 81 R N 1.989 122.506 120.500 0.029 0.000 2.732 81 R HA 0.437 4.778 4.340 0.001 0.000 0.278 81 R C -0.254 176.075 176.300 0.047 0.000 0.976 81 R CA -0.889 55.236 56.100 0.042 0.000 0.963 81 R CB 1.890 32.218 30.300 0.047 0.000 1.150 81 R HN 0.618 nan 8.270 nan 0.000 0.478 82 Q N 0.358 120.200 119.800 0.069 0.000 2.527 82 Q HA 0.227 4.567 4.340 0.001 0.000 0.280 82 Q C -1.462 174.611 176.000 0.122 0.000 0.977 82 Q CA -1.200 54.650 55.803 0.077 0.000 0.837 82 Q CB 1.454 30.234 28.738 0.070 0.000 1.454 82 Q HN 0.285 nan 8.270 nan 0.000 0.387 83 Q N 1.904 121.755 119.800 0.085 0.000 2.261 83 Q HA 0.341 4.681 4.340 0.001 0.000 0.252 83 Q C -0.777 175.290 176.000 0.112 0.000 0.915 83 Q CA -0.082 55.753 55.803 0.054 0.000 0.915 83 Q CB 1.246 29.965 28.738 -0.032 0.000 1.204 83 Q HN 0.724 nan 8.270 nan 0.000 0.421 84 W N 0.790 122.076 121.300 -0.023 0.000 2.647 84 W HA 0.711 5.372 4.660 0.001 0.000 0.353 84 W C -0.700 175.802 176.519 -0.028 0.000 1.080 84 W CA -1.088 56.239 57.345 -0.029 0.000 1.208 84 W CB 0.533 29.970 29.460 -0.039 0.000 1.396 84 W HN 0.580 nan 8.180 nan 0.000 0.573 85 S N 0.359 116.135 115.700 0.126 0.000 2.697 85 S HA 0.882 5.352 4.470 0.001 0.000 0.289 85 S C 0.057 174.751 174.600 0.157 0.000 1.149 85 S CA -0.090 58.086 58.200 -0.041 0.000 0.850 85 S CB 1.538 64.705 63.200 -0.055 0.000 1.151 85 S HN 2.002 nan 8.310 nan 0.000 0.491 86 G N 1.024 109.867 108.800 0.072 0.000 2.584 86 G HA2 -0.126 3.835 3.960 0.001 0.000 0.229 86 G HA3 -0.126 3.835 3.960 0.001 0.000 0.229 86 G C -0.863 174.144 174.900 0.178 0.000 1.320 86 G CA -0.567 44.594 45.100 0.101 0.000 0.891 86 G HN 0.930 nan 8.290 nan 0.000 0.573 87 R N 1.519 122.080 120.500 0.101 0.000 2.490 87 R HA 0.346 4.686 4.340 0.001 0.000 0.280 87 R C -1.045 175.244 176.300 -0.019 0.000 1.077 87 R CA -0.982 55.138 56.100 0.032 0.000 1.065 87 R CB 1.097 31.365 30.300 -0.053 0.000 1.003 87 R HN 0.432 nan 8.270 nan 0.000 0.470 88 P HA -0.146 nan 4.420 nan 0.000 0.218 88 P C 1.083 178.168 177.300 -0.358 0.000 1.149 88 P CA 1.349 64.060 63.100 -0.648 0.000 0.817 88 P CB 0.158 31.231 31.700 -1.045 0.000 0.785 89 G N 0.677 109.338 108.800 -0.232 0.000 2.402 89 G HA2 -0.191 3.770 3.960 0.001 0.000 0.216 89 G HA3 -0.191 3.770 3.960 0.001 0.000 0.216 89 G C 1.832 176.691 174.900 -0.067 0.000 1.162 89 G CA 0.985 46.104 45.100 0.032 0.000 0.777 89 G HN 0.358 nan 8.290 nan 0.000 0.539 90 A N 1.128 123.897 122.820 -0.086 0.000 1.898 90 A HA 0.327 4.647 4.320 0.001 0.000 0.216 90 A C 2.804 180.332 177.584 -0.093 0.000 1.181 90 A CA 2.132 54.128 52.037 -0.069 0.000 0.620 90 A CB -0.742 18.237 19.000 -0.034 0.000 0.819 90 A HN 0.721 nan 8.150 nan 0.000 0.442 91 A N -0.500 122.237 122.820 -0.137 0.000 1.877 91 A HA -0.017 4.304 4.320 0.001 0.000 0.216 91 A C 2.143 179.581 177.584 -0.243 0.000 1.186 91 A CA 1.739 53.662 52.037 -0.191 0.000 0.620 91 A CB -0.614 18.161 19.000 -0.376 0.000 0.822 91 A HN 0.667 nan 8.150 nan 0.000 0.443 92 L N 0.055 121.111 121.223 -0.277 0.000 2.056 92 L HA 0.042 4.383 4.340 0.001 0.000 0.207 92 L C 2.402 179.153 176.870 -0.199 0.000 1.078 92 L CA 2.303 56.990 54.840 -0.256 0.000 0.749 92 L CB -1.103 40.804 42.059 -0.253 0.000 0.901 92 L HN 0.293 nan 8.230 nan 0.000 0.433 93 G N -1.144 107.559 108.800 -0.161 0.000 2.442 93 G HA2 -0.329 3.632 3.960 0.001 0.000 0.219 93 G HA3 -0.329 3.632 3.960 0.001 0.000 0.219 93 G C 1.501 176.329 174.900 -0.120 0.000 1.141 93 G CA 0.817 45.833 45.100 -0.139 0.000 0.763 93 G HN 0.557 nan 8.290 nan 0.000 0.554 94 E N 0.413 120.550 120.200 -0.105 0.000 2.077 94 E HA -0.041 4.309 4.350 0.001 0.000 0.193 94 E C 2.752 179.300 176.600 -0.087 0.000 0.989 94 E CA 0.995 57.346 56.400 -0.082 0.000 0.800 94 E CB -0.221 29.442 29.700 -0.062 0.000 0.746 94 E HN 0.349 nan 8.360 nan 0.000 0.452 95 A N 0.417 123.174 122.820 -0.106 0.000 1.898 95 A HA -0.099 4.222 4.320 0.001 0.000 0.216 95 A C 2.373 179.891 177.584 -0.110 0.000 1.181 95 A CA 1.322 53.298 52.037 -0.102 0.000 0.620 95 A CB -0.526 18.402 19.000 -0.120 0.000 0.819 95 A HN 0.220 nan 8.150 nan 0.000 0.442 96 V N 0.617 120.448 119.914 -0.138 0.000 2.427 96 V HA -0.199 3.922 4.120 0.001 0.000 0.248 96 V C 2.075 178.089 176.094 -0.133 0.000 1.051 96 V CA 2.123 64.333 62.300 -0.151 0.000 1.048 96 V CB -0.835 30.871 31.823 -0.196 0.000 0.666 96 V HN 0.457 nan 8.190 nan 0.000 0.456 97 D N 0.003 120.331 120.400 -0.120 0.000 2.149 97 D HA -0.187 4.453 4.640 0.001 0.000 0.198 97 D C 2.294 178.543 176.300 -0.084 0.000 0.990 97 D CA 1.221 55.160 54.000 -0.103 0.000 0.839 97 D CB -0.257 40.490 40.800 -0.088 0.000 0.948 97 D HN 0.218 nan 8.370 nan 0.000 0.460 98 R N 0.670 121.125 120.500 -0.075 0.000 2.083 98 R HA -0.044 4.296 4.340 0.001 0.000 0.237 98 R C 2.312 178.578 176.300 -0.058 0.000 1.137 98 R CA 1.004 57.069 56.100 -0.058 0.000 0.951 98 R CB -0.736 29.533 30.300 -0.051 0.000 0.851 98 R HN 0.200 nan 8.270 nan 0.000 0.434 99 L N -0.094 121.088 121.223 -0.068 0.000 2.083 99 L HA -0.123 4.218 4.340 0.001 0.000 0.209 99 L C 1.984 178.811 176.870 -0.071 0.000 1.083 99 L CA 0.997 55.799 54.840 -0.064 0.000 0.752 99 L CB -0.366 41.649 42.059 -0.074 0.000 0.899 99 L HN 0.217 nan 8.230 nan 0.000 0.433 100 L N -0.325 120.843 121.223 -0.092 0.000 2.610 100 L HA -0.095 4.246 4.340 0.001 0.000 0.232 100 L C 2.054 178.880 176.870 -0.074 0.000 1.149 100 L CA 0.171 54.952 54.840 -0.098 0.000 0.872 100 L CB -0.177 41.806 42.059 -0.127 0.000 0.992 100 L HN 0.312 nan 8.230 nan 0.000 0.447 101 L N -0.845 120.343 121.223 -0.059 0.000 2.341 101 L HA -0.067 4.274 4.340 0.001 0.000 0.214 101 L C 1.656 178.505 176.870 -0.034 0.000 1.115 101 L CA 0.972 55.786 54.840 -0.045 0.000 0.820 101 L CB -0.002 42.034 42.059 -0.038 0.000 0.944 101 L HN 0.299 nan 8.230 nan 0.000 0.452 102 E N -1.845 118.336 120.200 -0.033 0.000 2.562 102 E HA 0.109 4.460 4.350 0.001 0.000 0.214 102 E C 0.234 176.823 176.600 -0.019 0.000 0.979 102 E CA -0.051 56.337 56.400 -0.020 0.000 1.002 102 E CB 1.141 30.834 29.700 -0.013 0.000 1.048 102 E HN 0.057 nan 8.360 nan 0.000 0.488 103 T N -0.852 113.681 114.554 -0.036 0.000 2.883 103 T HA 0.149 4.499 4.350 0.001 0.000 0.301 103 T C -0.671 173.987 174.700 -0.070 0.000 1.158 103 T CA -0.559 61.518 62.100 -0.038 0.000 1.007 103 T CB 1.655 70.504 68.868 -0.032 0.000 1.186 103 T HN -0.239 nan 8.240 nan 0.000 0.499 104 D N 1.003 121.355 120.400 -0.081 0.000 2.249 104 D HA 0.198 4.839 4.640 0.001 0.000 0.205 104 D C 0.466 176.660 176.300 -0.176 0.000 0.962 104 D CA 1.132 55.059 54.000 -0.122 0.000 0.860 104 D CB 0.396 41.111 40.800 -0.142 0.000 0.955 104 D HN 0.406 nan 8.370 nan 0.000 0.505 105 Q N -0.842 118.847 119.800 -0.185 0.000 2.462 105 Q HA 0.742 5.082 4.340 0.001 0.000 0.285 105 Q C -1.566 174.202 176.000 -0.388 0.000 1.035 105 Q CA -0.950 54.650 55.803 -0.339 0.000 0.799 105 Q CB 2.916 31.428 28.738 -0.376 0.000 1.452 105 Q HN 0.028 nan 8.270 nan 0.000 0.404 106 A N 1.232 123.632 122.820 -0.700 0.000 2.435 106 A HA 0.917 5.238 4.320 0.001 0.000 0.304 106 A C -1.672 175.307 177.584 -1.008 0.000 1.064 106 A CA -0.401 51.272 52.037 -0.607 0.000 0.727 106 A CB 1.008 19.767 19.000 -0.402 0.000 1.284 106 A HN 0.547 nan 8.150 nan 0.000 0.415 107 F N 0.169 119.725 119.950 -0.656 0.000 2.629 107 F HA 0.850 5.377 4.527 0.001 0.000 0.316 107 F C 0.804 176.395 175.800 -0.349 0.000 1.081 107 F CA 0.316 57.992 58.000 -0.541 0.000 0.954 107 F CB 2.746 41.410 39.000 -0.559 0.000 1.337 107 F HN 1.154 nan 8.300 nan 0.000 0.474 108 G N -0.061 108.747 108.800 0.012 0.000 2.367 108 G HA2 0.299 4.259 3.960 0.001 0.000 0.272 108 G HA3 0.299 4.259 3.960 0.001 0.000 0.272 108 G C -2.499 172.428 174.900 0.046 0.000 1.271 108 G CA -0.813 44.331 45.100 0.072 0.000 0.893 108 G HN 0.903 nan 8.290 nan 0.000 0.485 109 W N -0.610 120.618 121.300 -0.120 0.000 3.031 109 W HA 0.775 5.435 4.660 0.001 0.000 0.337 109 W C -1.618 174.780 176.519 -0.202 0.000 1.187 109 W CA -1.374 55.872 57.345 -0.165 0.000 1.166 109 W CB 1.307 30.696 29.460 -0.120 0.000 1.437 109 W HN 0.598 nan 8.180 nan 0.000 0.551 110 V N 2.308 122.252 119.914 0.050 0.000 2.487 110 V HA 0.578 4.698 4.120 0.001 0.000 0.298 110 V C 0.509 176.763 176.094 0.265 0.000 1.028 110 V CA -0.737 61.441 62.300 -0.204 0.000 0.860 110 V CB 0.788 32.182 31.823 -0.714 0.000 0.991 110 V HN 0.777 nan 8.190 nan 0.000 0.427 111 A N 3.437 126.499 122.820 0.402 0.000 2.313 111 A HA 0.485 4.805 4.320 0.001 0.000 0.261 111 A C 0.771 178.726 177.584 0.618 0.000 1.090 111 A CA -0.106 52.284 52.037 0.589 0.000 0.807 111 A CB 0.059 19.432 19.000 0.621 0.000 1.055 111 A HN 0.907 nan 8.150 nan 0.000 0.492 112 F N 0.533 120.731 119.950 0.412 0.000 2.120 112 F HA -0.183 4.344 4.527 0.001 0.000 0.300 112 F C 1.783 177.822 175.800 0.398 0.000 1.095 112 F CA 2.569 60.767 58.000 0.330 0.000 1.249 112 F CB -0.137 38.928 39.000 0.108 0.000 0.995 112 F HN 0.708 nan 8.300 nan 0.000 0.480 113 E N -0.179 120.232 120.200 0.352 0.000 2.267 113 E HA -0.223 4.127 4.350 0.001 0.000 0.197 113 E C 1.829 178.621 176.600 0.320 0.000 0.998 113 E CA 1.068 57.627 56.400 0.265 0.000 0.830 113 E CB -0.879 29.032 29.700 0.352 0.000 0.751 113 E HN 0.588 nan 8.360 nan 0.000 0.491 114 F N -0.048 120.022 119.950 0.200 0.000 2.333 114 F HA -0.029 4.499 4.527 0.001 0.000 0.300 114 F C 1.836 177.721 175.800 0.142 0.000 1.083 114 F CA 1.419 59.460 58.000 0.069 0.000 1.395 114 F CB 0.049 38.941 39.000 -0.181 0.000 1.056 114 F HN 0.039 nan 8.300 nan 0.000 0.529 115 G N -0.557 108.431 108.800 0.313 0.000 3.284 115 G HA2 0.127 4.088 3.960 0.001 0.000 0.236 115 G HA3 0.127 4.088 3.960 0.001 0.000 0.236 115 G C 1.286 176.206 174.900 0.032 0.000 1.158 115 G CA 0.602 45.815 45.100 0.189 0.000 0.774 115 G HN 0.409 nan 8.290 nan 0.000 0.545 116 V N -2.761 117.215 119.914 0.103 0.000 3.052 116 V HA 0.081 4.201 4.120 0.001 0.000 0.254 116 V C 2.111 178.236 176.094 0.051 0.000 1.100 116 V CA 1.089 63.475 62.300 0.143 0.000 1.112 116 V CB -0.771 31.191 31.823 0.232 0.000 0.738 116 V HN 0.262 nan 8.190 nan 0.000 0.469 117 H N 2.584 121.619 119.070 -0.060 0.000 2.387 117 H HA -0.057 4.500 4.556 0.001 0.000 0.299 117 H C 2.389 177.630 175.328 -0.145 0.000 1.090 117 H CA 2.207 58.208 56.048 -0.078 0.000 1.332 117 H CB -0.404 29.301 29.762 -0.095 0.000 1.386 117 H HN 0.599 nan 8.280 nan 0.000 0.516 118 R N 0.034 120.429 120.500 -0.175 0.000 2.293 118 R HA -0.122 4.219 4.340 0.001 0.000 0.219 118 R C 0.349 176.404 176.300 -0.409 0.000 1.091 118 R CA 1.334 57.221 56.100 -0.356 0.000 1.004 118 R CB -0.251 29.717 30.300 -0.553 0.000 0.865 118 R HN 0.336 nan 8.270 nan 0.000 0.469 119 Y N 0.148 120.463 120.300 0.025 0.000 2.584 119 Y HA 0.389 4.940 4.550 0.001 0.000 0.254 119 Y C 1.245 177.147 175.900 0.003 0.000 1.177 119 Y CA -0.675 57.437 58.100 0.020 0.000 1.216 119 Y CB 0.784 39.265 38.460 0.034 0.000 1.172 119 Y HN 0.293 nan 8.280 nan 0.000 0.529 120 G N 1.102 109.945 108.800 0.073 0.000 2.249 120 G HA2 -0.293 3.667 3.960 0.001 0.000 0.273 120 G HA3 -0.293 3.667 3.960 0.001 0.000 0.273 120 G C 0.465 175.359 174.900 -0.011 0.000 1.036 120 G CA 0.715 45.825 45.100 0.016 0.000 0.824 120 G HN 0.485 nan 8.290 nan 0.000 0.504 121 L N 0.298 121.519 121.223 -0.003 0.000 2.769 121 L HA 0.137 4.478 4.340 0.001 0.000 0.240 121 L C 2.649 179.428 176.870 -0.152 0.000 1.163 121 L CA 0.466 55.274 54.840 -0.053 0.000 0.962 121 L CB 0.102 42.225 42.059 0.107 0.000 1.258 121 L HN 0.482 nan 8.230 nan 0.000 0.513 122 Q N 0.108 119.764 119.800 -0.239 0.000 2.234 122 Q HA -0.276 4.065 4.340 0.001 0.000 0.206 122 Q C 1.683 177.565 176.000 -0.197 0.000 0.980 122 Q CA 1.408 56.999 55.803 -0.354 0.000 0.869 122 Q CB -0.225 28.151 28.738 -0.603 0.000 0.912 122 Q HN 0.349 nan 8.270 nan 0.000 0.436 123 Q N 0.855 120.550 119.800 -0.175 0.000 2.437 123 Q HA -0.028 4.313 4.340 0.001 0.000 0.210 123 Q C 1.648 177.551 176.000 -0.162 0.000 0.972 123 Q CA 0.918 56.636 55.803 -0.142 0.000 0.903 123 Q CB 0.072 28.736 28.738 -0.124 0.000 0.967 123 Q HN 0.285 nan 8.270 nan 0.000 0.486 124 R N -0.570 119.772 120.500 -0.264 0.000 2.236 124 R HA 0.106 4.447 4.340 0.001 0.000 0.208 124 R C 0.169 176.373 176.300 -0.159 0.000 1.036 124 R CA 0.152 56.014 56.100 -0.396 0.000 1.001 124 R CB -0.309 29.338 30.300 -1.089 0.000 0.896 124 R HN 0.273 nan 8.270 nan 0.000 0.464 125 L N 1.244 122.460 121.223 -0.011 0.000 2.397 125 L HA 0.223 4.563 4.340 0.001 0.000 0.271 125 L C 0.713 177.640 176.870 0.094 0.000 1.148 125 L CA -0.540 54.386 54.840 0.145 0.000 0.825 125 L CB 0.767 42.931 42.059 0.175 0.000 1.117 125 L HN -0.007 nan 8.230 nan 0.000 0.456 126 A N 5.549 128.448 122.820 0.133 0.000 2.366 126 A HA 0.479 4.800 4.320 0.001 0.000 0.249 126 A C -2.150 175.495 177.584 0.101 0.000 1.084 126 A CA -1.170 50.931 52.037 0.106 0.000 0.794 126 A CB -0.376 18.700 19.000 0.126 0.000 1.034 126 A HN 0.510 nan 8.150 nan 0.000 0.491 127 P HA 0.114 nan 4.420 nan 0.000 0.269 127 P C -0.596 176.763 177.300 0.099 0.000 1.215 127 P CA 0.559 63.653 63.100 -0.010 0.000 0.780 127 P CB -0.027 31.654 31.700 -0.032 0.000 0.898 128 H N -2.821 116.311 119.070 0.104 0.000 2.899 128 H HA -0.119 4.438 4.556 0.001 0.000 0.282 128 H C -0.285 175.126 175.328 0.139 0.000 1.198 128 H CA 0.933 57.049 56.048 0.114 0.000 1.140 128 H CB -2.854 26.962 29.762 0.090 0.000 1.317 128 H HN 0.338 nan 8.280 nan 0.000 0.375 129 T N 2.227 116.914 114.554 0.222 0.000 2.779 129 T HA 0.233 4.584 4.350 0.001 0.000 0.296 129 T C -2.121 172.726 174.700 0.245 0.000 0.938 129 T CA -1.090 61.152 62.100 0.237 0.000 1.119 129 T CB 0.989 70.002 68.868 0.242 0.000 0.891 129 T HN 0.050 nan 8.240 nan 0.000 0.526 130 P HA 0.185 nan 4.420 nan 0.000 0.267 130 P C 0.231 177.667 177.300 0.227 0.000 1.205 130 P CA 0.012 63.249 63.100 0.228 0.000 0.765 130 P CB 0.599 32.509 31.700 0.350 0.000 0.828 131 L N 1.839 123.122 121.223 0.100 0.000 2.547 131 L HA 0.501 4.842 4.340 0.001 0.000 0.218 131 L C 0.837 177.650 176.870 -0.095 0.000 1.048 131 L CA 0.289 55.206 54.840 0.127 0.000 0.859 131 L CB 0.094 42.238 42.059 0.142 0.000 1.128 131 L HN 0.358 nan 8.230 nan 0.000 0.483 132 A N 0.021 122.628 122.820 -0.355 0.000 2.605 132 A HA 0.769 5.090 4.320 0.001 0.000 0.294 132 A C -1.392 175.734 177.584 -0.764 0.000 1.062 132 A CA -0.588 51.053 52.037 -0.661 0.000 0.682 132 A CB 1.645 20.309 19.000 -0.561 0.000 1.278 132 A HN -0.015 nan 8.150 nan 0.000 0.410 133 R N 0.791 120.683 120.500 -1.014 0.000 2.500 133 R HA 0.586 4.927 4.340 0.001 0.000 0.299 133 R C -1.751 174.276 176.300 -0.456 0.000 1.038 133 R CA -0.408 55.265 56.100 -0.712 0.000 0.903 133 R CB 1.484 31.277 30.300 -0.846 0.000 1.177 133 R HN 0.545 nan 8.270 nan 0.000 0.455 134 V N 4.922 124.691 119.914 -0.241 0.000 2.638 134 V HA 0.602 4.722 4.120 0.001 0.000 0.306 134 V C -0.605 175.506 176.094 0.028 0.000 1.052 134 V CA -0.958 61.259 62.300 -0.138 0.000 0.885 134 V CB 1.913 33.587 31.823 -0.248 0.000 0.999 134 V HN 0.639 nan 8.190 nan 0.000 0.424 135 F N 1.751 121.656 119.950 -0.074 0.000 2.593 135 F HA 0.853 5.381 4.527 0.001 0.000 0.320 135 F C -0.106 175.713 175.800 0.032 0.000 1.060 135 F CA -0.949 57.036 58.000 -0.025 0.000 0.940 135 F CB 2.083 41.081 39.000 -0.003 0.000 1.268 135 F HN 0.363 nan 8.300 nan 0.000 0.475 136 S N 3.867 119.609 115.700 0.070 0.000 2.438 136 S HA 0.547 5.018 4.470 0.001 0.000 0.293 136 S C -2.591 172.113 174.600 0.172 0.000 1.141 136 S CA -1.663 56.534 58.200 -0.004 0.000 1.080 136 S CB 0.677 63.887 63.200 0.016 0.000 0.978 136 S HN 0.585 nan 8.310 nan 0.000 0.479 137 P HA 0.308 nan 4.420 nan 0.000 0.276 137 P C 0.059 177.452 177.300 0.154 0.000 1.244 137 P CA -0.518 62.728 63.100 0.243 0.000 0.801 137 P CB 0.962 32.727 31.700 0.108 0.000 1.006 138 R N 0.014 120.607 120.500 0.154 0.000 2.100 138 R HA 0.107 4.447 4.340 0.001 0.000 0.220 138 R C 0.483 176.824 176.300 0.068 0.000 1.091 138 R CA 1.180 57.347 56.100 0.111 0.000 0.986 138 R CB -0.121 30.257 30.300 0.130 0.000 0.888 138 R HN 0.539 nan 8.270 nan 0.000 0.444 139 T N 0.025 114.588 114.554 0.016 0.000 2.907 139 T HA 0.471 4.821 4.350 0.001 0.000 0.292 139 T C -1.030 173.645 174.700 -0.042 0.000 1.043 139 T CA -0.662 61.392 62.100 -0.077 0.000 1.003 139 T CB 2.722 71.337 68.868 -0.423 0.000 1.084 139 T HN -0.008 nan 8.240 nan 0.000 0.483 140 R N 1.697 122.217 120.500 0.034 0.000 2.514 140 R HA 0.650 4.991 4.340 0.001 0.000 0.296 140 R C -1.532 174.889 176.300 0.202 0.000 1.012 140 R CA -0.504 55.641 56.100 0.075 0.000 0.897 140 R CB 0.856 31.195 30.300 0.066 0.000 1.184 140 R HN 0.585 nan 8.270 nan 0.000 0.440 141 I N 5.192 125.830 120.570 0.114 0.000 2.410 141 I HA 0.350 4.521 4.170 0.001 0.000 0.286 141 I C -0.340 175.879 176.117 0.170 0.000 1.009 141 I CA -0.576 60.806 61.300 0.137 0.000 1.111 141 I CB 1.976 39.998 38.000 0.037 0.000 1.262 141 I HN 0.460 nan 8.210 nan 0.000 0.443 142 M N 6.288 126.036 119.600 0.248 0.000 2.238 142 M HA 0.520 5.000 4.480 0.001 0.000 0.350 142 M C -0.918 175.498 176.300 0.194 0.000 1.138 142 M CA -0.723 54.722 55.300 0.241 0.000 1.040 142 M CB 2.072 34.855 32.600 0.306 0.000 1.639 142 M HN 0.236 nan 8.290 nan 0.000 0.451 143 V N 2.464 122.512 119.914 0.223 0.000 2.540 143 V HA 0.747 4.867 4.120 0.001 0.000 0.302 143 V C -0.299 175.957 176.094 0.270 0.000 1.035 143 V CA -0.463 61.945 62.300 0.179 0.000 0.873 143 V CB 1.791 33.673 31.823 0.099 0.000 0.992 143 V HN 1.026 nan 8.190 nan 0.000 0.428 144 S N 2.000 117.810 115.700 0.184 0.000 2.705 144 S HA 0.471 4.941 4.470 0.001 0.000 0.280 144 S C 0.426 175.095 174.600 0.115 0.000 1.174 144 S CA -0.751 57.582 58.200 0.223 0.000 0.823 144 S CB 1.863 65.180 63.200 0.194 0.000 1.162 144 S HN 0.573 nan 8.310 nan 0.000 0.487 145 E N 0.541 120.811 120.200 0.118 0.000 2.153 145 E HA -0.134 4.217 4.350 0.001 0.000 0.194 145 E C 2.352 178.978 176.600 0.042 0.000 0.988 145 E CA 1.622 58.057 56.400 0.059 0.000 0.811 145 E CB -0.378 29.360 29.700 0.064 0.000 0.746 145 E HN 0.734 nan 8.360 nan 0.000 0.466 146 K N 1.629 122.063 120.400 0.056 0.000 2.021 146 K HA -0.074 4.247 4.320 0.001 0.000 0.205 146 K C 1.166 177.786 176.600 0.034 0.000 1.047 146 K CA 1.721 58.033 56.287 0.042 0.000 0.943 146 K CB -0.215 32.313 32.500 0.048 0.000 0.725 146 K HN 0.448 nan 8.250 nan 0.000 0.439 147 E N -2.237 117.990 120.200 0.045 0.000 2.442 147 E HA 0.564 4.915 4.350 0.001 0.000 0.278 147 E C -1.567 175.059 176.600 0.042 0.000 1.082 147 E CA -0.874 55.545 56.400 0.032 0.000 0.861 147 E CB 1.033 30.748 29.700 0.025 0.000 1.462 147 E HN 0.081 nan 8.360 nan 0.000 0.458 148 I N 0.988 121.572 120.570 0.022 0.000 2.389 148 I HA 0.448 4.618 4.170 0.001 0.000 0.288 148 I C -0.363 175.754 176.117 0.001 0.000 0.999 148 I CA -0.795 60.520 61.300 0.025 0.000 1.129 148 I CB 1.555 39.557 38.000 0.004 0.000 1.288 148 I HN 0.304 nan 8.210 nan 0.000 0.444 149 R N 6.913 127.427 120.500 0.023 0.000 2.445 149 R HA 0.677 5.018 4.340 0.001 0.000 0.308 149 R C -1.234 174.981 176.300 -0.142 0.000 0.961 149 R CA -0.842 55.205 56.100 -0.088 0.000 0.862 149 R CB 2.074 32.376 30.300 0.003 0.000 1.144 149 R HN 0.510 nan 8.270 nan 0.000 0.447 150 L N 4.101 125.133 121.223 -0.318 0.000 2.305 150 L HA 0.496 4.837 4.340 0.001 0.000 0.284 150 L C -0.916 175.695 176.870 -0.431 0.000 1.013 150 L CA -0.594 54.110 54.840 -0.227 0.000 0.819 150 L CB 0.897 42.882 42.059 -0.124 0.000 1.227 150 L HN 0.475 nan 8.230 nan 0.000 0.417 151 F N 2.190 122.132 119.950 -0.014 0.000 2.427 151 F HA 0.290 4.818 4.527 0.001 0.000 0.348 151 F C 0.368 176.158 175.800 -0.017 0.000 1.125 151 F CA -0.752 57.244 58.000 -0.006 0.000 0.989 151 F CB 1.120 40.124 39.000 0.006 0.000 1.165 151 F HN 0.526 nan 8.300 nan 0.000 0.442 152 D N 1.570 122.040 120.400 0.117 0.000 2.723 152 D HA -0.188 4.453 4.640 0.001 0.000 0.236 152 D C -0.080 176.253 176.300 0.054 0.000 1.138 152 D CA 0.645 54.695 54.000 0.083 0.000 0.676 152 D CB -0.656 40.203 40.800 0.099 0.000 1.069 152 D HN 0.539 nan 8.370 nan 0.000 0.430 153 A N 0.249 123.088 122.820 0.033 0.000 2.309 153 A HA 0.673 4.994 4.320 0.001 0.000 0.298 153 A C 1.008 178.675 177.584 0.138 0.000 1.165 153 A CA 0.339 52.406 52.037 0.050 0.000 0.821 153 A CB 1.310 20.320 19.000 0.016 0.000 1.102 153 A HN 0.246 nan 8.150 nan 0.000 0.500 154 G N -0.810 108.161 108.800 0.286 0.000 2.531 154 G HA2 0.529 4.489 3.960 0.001 0.000 0.313 154 G HA3 0.529 4.489 3.960 0.001 0.000 0.313 154 G C 1.153 176.112 174.900 0.097 0.000 1.238 154 G CA 0.001 45.198 45.100 0.162 0.000 0.994 154 G HN 1.534 nan 8.290 nan 0.000 0.493 155 I N -0.168 120.424 120.570 0.037 0.000 2.194 155 I HA -0.058 4.112 4.170 0.001 0.000 0.246 155 I C 3.097 179.204 176.117 -0.016 0.000 1.093 155 I CA 3.417 64.723 61.300 0.011 0.000 1.355 155 I CB -1.931 36.068 38.000 -0.001 0.000 1.046 155 I HN 0.856 nan 8.210 nan 0.000 0.413 156 R N -0.203 120.252 120.500 -0.074 0.000 2.105 156 R HA -0.212 4.128 4.340 0.001 0.000 0.239 156 R C 2.223 178.431 176.300 -0.152 0.000 1.135 156 R CA 1.900 57.912 56.100 -0.147 0.000 0.967 156 R CB -1.957 28.195 30.300 -0.246 0.000 0.861 156 R HN 0.923 nan 8.270 nan 0.000 0.442 157 H N -0.271 118.802 119.070 0.004 0.000 2.307 157 H HA -0.030 4.527 4.556 0.001 0.000 0.303 157 H C 2.858 178.184 175.328 -0.005 0.000 1.073 157 H CA 2.258 58.307 56.048 0.001 0.000 1.338 157 H CB -0.455 29.314 29.762 0.010 0.000 1.389 157 H HN 0.593 nan 8.280 nan 0.000 0.503 158 R N 1.263 121.837 120.500 0.122 0.000 2.096 158 R HA -0.184 4.157 4.340 0.001 0.000 0.240 158 R C 2.319 178.637 176.300 0.029 0.000 1.139 158 R CA 2.410 58.544 56.100 0.057 0.000 0.952 158 R CB -1.825 28.498 30.300 0.038 0.000 0.854 158 R HN 0.669 nan 8.270 nan 0.000 0.436 159 E N 0.319 120.528 120.200 0.016 0.000 2.051 159 E HA 0.100 4.451 4.350 0.001 0.000 0.192 159 E C 2.601 179.202 176.600 0.002 0.000 0.991 159 E CA 1.936 58.336 56.400 0.001 0.000 0.799 159 E CB -0.986 28.707 29.700 -0.011 0.000 0.748 159 E HN 0.971 nan 8.360 nan 0.000 0.449 160 A N 0.538 123.362 122.820 0.006 0.000 1.883 160 A HA -0.062 4.259 4.320 0.001 0.000 0.217 160 A C 2.534 180.122 177.584 0.007 0.000 1.186 160 A CA 1.721 53.762 52.037 0.007 0.000 0.624 160 A CB -0.468 18.544 19.000 0.020 0.000 0.822 160 A HN 0.542 nan 8.150 nan 0.000 0.444 161 I N -0.217 120.363 120.570 0.017 0.000 2.133 161 I HA -0.230 3.941 4.170 0.001 0.000 0.238 161 I C 2.004 178.119 176.117 -0.003 0.000 1.074 161 I CA 1.548 62.852 61.300 0.006 0.000 1.342 161 I CB -0.660 37.346 38.000 0.010 0.000 1.053 161 I HN 0.289 nan 8.210 nan 0.000 0.404 162 D N 0.667 121.067 120.400 -0.001 0.000 2.133 162 D HA -0.242 4.399 4.640 0.001 0.000 0.195 162 D C 2.189 178.485 176.300 -0.008 0.000 0.997 162 D CA 1.352 55.349 54.000 -0.005 0.000 0.840 162 D CB -0.391 40.407 40.800 -0.004 0.000 0.947 162 D HN 0.308 nan 8.370 nan 0.000 0.452 163 R N 0.224 120.720 120.500 -0.007 0.000 2.075 163 R HA -0.117 4.223 4.340 0.001 0.000 0.232 163 R C 2.391 178.684 176.300 -0.011 0.000 1.126 163 R CA 0.611 56.706 56.100 -0.009 0.000 0.963 163 R CB -0.375 29.921 30.300 -0.008 0.000 0.858 163 R HN 0.093 nan 8.270 nan 0.000 0.435 164 L N 1.081 122.297 121.223 -0.012 0.000 2.017 164 L HA -0.151 4.190 4.340 0.001 0.000 0.208 164 L C 1.948 178.805 176.870 -0.020 0.000 1.073 164 L CA 1.602 56.432 54.840 -0.017 0.000 0.745 164 L CB -0.529 41.518 42.059 -0.020 0.000 0.894 164 L HN 0.167 nan 8.230 nan 0.000 0.432 165 L N -0.396 120.816 121.223 -0.019 0.000 2.191 165 L HA -0.103 4.237 4.340 0.001 0.000 0.212 165 L C 2.564 179.423 176.870 -0.019 0.000 1.103 165 L CA 1.745 56.572 54.840 -0.021 0.000 0.769 165 L CB -1.486 40.561 42.059 -0.020 0.000 0.908 165 L HN 0.351 nan 8.230 nan 0.000 0.438 166 A N -0.780 122.030 122.820 -0.016 0.000 1.855 166 A HA -0.147 4.174 4.320 0.001 0.000 0.213 166 A C 2.380 179.956 177.584 -0.014 0.000 1.195 166 A CA 1.852 53.880 52.037 -0.014 0.000 0.610 166 A CB -0.995 17.999 19.000 -0.011 0.000 0.837 166 A HN 0.467 nan 8.150 nan 0.000 0.444 167 T N -3.272 111.273 114.554 -0.014 0.000 3.023 167 T HA 0.401 4.751 4.350 0.001 0.000 0.266 167 T C 1.253 175.943 174.700 -0.017 0.000 1.093 167 T CA 1.111 63.203 62.100 -0.014 0.000 1.129 167 T CB -0.752 68.109 68.868 -0.012 0.000 0.899 167 T HN 1.949 nan 8.240 nan 0.000 0.491 168 G N 1.087 109.875 108.800 -0.021 0.000 2.828 168 G HA2 -0.056 3.905 3.960 0.001 0.000 0.463 168 G HA3 -0.056 3.905 3.960 0.001 0.000 0.463 168 G C -0.239 174.645 174.900 -0.026 0.000 1.394 168 G CA -0.394 44.691 45.100 -0.026 0.000 0.862 168 G HN 1.416 nan 8.290 nan 0.000 0.540 169 V N -1.707 118.188 119.914 -0.032 0.000 2.834 169 V HA 0.773 4.894 4.120 0.001 0.000 0.301 169 V C 1.069 177.150 176.094 -0.022 0.000 1.066 169 V CA -0.605 61.676 62.300 -0.031 0.000 1.052 169 V CB 1.188 32.986 31.823 -0.042 0.000 1.021 169 V HN 0.947 nan 8.190 nan 0.000 0.480 170 R N 1.907 122.398 120.500 -0.014 0.000 2.738 170 R HA 0.275 4.616 4.340 0.001 0.000 0.268 170 R C 0.382 176.676 176.300 -0.009 0.000 1.062 170 R CA -0.160 55.935 56.100 -0.008 0.000 1.158 170 R CB 0.492 30.793 30.300 0.001 0.000 1.046 170 R HN 0.982 nan 8.270 nan 0.000 0.493 171 E N 0.674 120.870 120.200 -0.007 0.000 2.319 171 E HA 0.245 4.595 4.350 0.001 0.000 0.268 171 E C -0.896 175.705 176.600 0.001 0.000 1.050 171 E CA -0.805 55.591 56.400 -0.007 0.000 0.878 171 E CB 1.100 30.795 29.700 -0.007 0.000 1.066 171 E HN 0.108 nan 8.360 nan 0.000 0.406 172 V N 3.710 123.626 119.914 0.003 0.000 2.407 172 V HA 0.269 4.390 4.120 0.001 0.000 0.278 172 V C -1.425 174.678 176.094 0.014 0.000 1.037 172 V CA -1.435 60.873 62.300 0.014 0.000 0.900 172 V CB 0.602 32.438 31.823 0.021 0.000 0.983 172 V HN 0.809 nan 8.190 nan 0.000 0.459 173 P HA 0.182 nan 4.420 nan 0.000 0.273 173 P C -0.473 176.829 177.300 0.004 0.000 1.250 173 P CA -0.600 62.501 63.100 0.002 0.000 0.793 173 P CB 0.625 32.322 31.700 -0.005 0.000 1.011 174 Q N 0.345 120.140 119.800 -0.010 0.000 2.524 174 Q HA 0.245 4.585 4.340 0.001 0.000 0.246 174 Q C -0.010 175.977 176.000 -0.022 0.000 1.063 174 Q CA -0.607 55.188 55.803 -0.013 0.000 0.945 174 Q CB 0.125 28.847 28.738 -0.027 0.000 1.292 174 Q HN 0.501 nan 8.270 nan 0.000 0.518 175 S N 0.943 116.632 115.700 -0.019 0.000 2.652 175 S HA 0.416 4.886 4.470 0.001 0.000 0.270 175 S C -0.354 174.205 174.600 -0.068 0.000 1.243 175 S CA -0.978 57.209 58.200 -0.021 0.000 0.999 175 S CB 1.418 64.616 63.200 -0.004 0.000 0.973 175 S HN 0.737 nan 8.310 nan 0.000 0.544 176 R N 0.536 120.984 120.500 -0.087 0.000 2.514 176 R HA 0.456 4.796 4.340 0.001 0.000 0.301 176 R C -0.732 175.565 176.300 -0.005 0.000 0.962 176 R CA -0.440 55.561 56.100 -0.166 0.000 0.882 176 R CB 1.506 31.471 30.300 -0.558 0.000 1.143 176 R HN 0.793 nan 8.270 nan 0.000 0.452 177 S N 1.533 117.229 115.700 -0.007 0.000 2.585 177 S HA 0.213 4.683 4.470 0.001 0.000 0.273 177 S C -0.646 174.038 174.600 0.140 0.000 1.339 177 S CA -0.591 57.635 58.200 0.042 0.000 1.028 177 S CB 1.569 64.770 63.200 0.002 0.000 0.906 177 S HN 0.432 nan 8.310 nan 0.000 0.528 178 V N 2.605 122.581 119.914 0.103 0.000 2.623 178 V HA 0.324 4.445 4.120 0.001 0.000 0.304 178 V C -1.132 174.986 176.094 0.040 0.000 1.054 178 V CA -0.921 61.440 62.300 0.102 0.000 0.882 178 V CB 1.905 33.764 31.823 0.060 0.000 1.002 178 V HN 0.891 nan 8.190 nan 0.000 0.424 179 D N 4.292 124.718 120.400 0.044 0.000 2.383 179 D HA 0.186 4.826 4.640 0.001 0.000 0.252 179 D C 0.684 176.999 176.300 0.025 0.000 1.166 179 D CA 0.486 54.505 54.000 0.032 0.000 0.879 179 D CB 1.859 42.684 40.800 0.041 0.000 1.164 179 D HN 0.649 nan 8.370 nan 0.000 0.462 180 V N 1.434 121.357 119.914 0.015 0.000 3.276 180 V HA 0.124 4.245 4.120 0.001 0.000 0.319 180 V C 1.435 177.564 176.094 0.059 0.000 1.427 180 V CA 0.482 62.781 62.300 -0.002 0.000 1.102 180 V CB -0.194 31.586 31.823 -0.070 0.000 1.020 180 V HN 0.468 nan 8.190 nan 0.000 0.456 181 S N -0.666 115.104 115.700 0.117 0.000 2.489 181 S HA 0.005 4.475 4.470 0.001 0.000 0.228 181 S C 0.669 175.439 174.600 0.283 0.000 0.995 181 S CA 0.658 58.996 58.200 0.230 0.000 0.934 181 S CB -0.340 62.941 63.200 0.134 0.000 0.771 181 S HN 0.658 nan 8.310 nan 0.000 0.522 182 D N 1.425 121.941 120.400 0.194 0.000 2.329 182 D HA 0.369 5.009 4.640 0.001 0.000 0.246 182 D C -0.827 175.606 176.300 0.221 0.000 1.111 182 D CA -0.107 53.974 54.000 0.135 0.000 0.941 182 D CB 1.072 41.919 40.800 0.078 0.000 1.169 182 D HN 0.071 nan 8.370 nan 0.000 0.441 183 D N 1.604 122.062 120.400 0.097 0.000 2.749 183 D HA 0.236 4.877 4.640 0.001 0.000 0.338 183 D C -1.736 174.617 176.300 0.088 0.000 1.236 183 D CA -1.396 52.691 54.000 0.146 0.000 0.845 183 D CB 0.779 41.547 40.800 -0.053 0.000 1.080 183 D HN 0.198 nan 8.370 nan 0.000 0.497 184 P HA -0.112 nan 4.420 nan 0.000 0.220 184 P C 0.938 178.267 177.300 0.047 0.000 1.148 184 P CA 0.696 63.823 63.100 0.045 0.000 0.803 184 P CB 0.195 31.914 31.700 0.031 0.000 0.782 185 S N -1.608 114.137 115.700 0.075 0.000 2.605 185 S HA 0.349 4.819 4.470 0.001 0.000 0.217 185 S C 1.391 176.050 174.600 0.098 0.000 0.958 185 S CA 0.212 58.454 58.200 0.071 0.000 0.919 185 S CB -1.221 62.019 63.200 0.067 0.000 0.780 185 S HN 0.317 nan 8.310 nan 0.000 0.507 186 G N 1.345 110.208 108.800 0.106 0.000 2.323 186 G HA2 -0.335 3.626 3.960 0.001 0.000 0.292 186 G HA3 -0.335 3.626 3.960 0.001 0.000 0.292 186 G C 0.111 175.091 174.900 0.133 0.000 1.040 186 G CA 0.289 45.443 45.100 0.089 0.000 0.942 186 G HN 0.586 nan 8.290 nan 0.000 0.506 187 F N 0.531 120.535 119.950 0.091 0.000 2.091 187 F HA -0.138 4.390 4.527 0.001 0.000 0.299 187 F C 2.666 178.535 175.800 0.114 0.000 1.103 187 F CA 2.445 60.519 58.000 0.124 0.000 1.228 187 F CB -0.168 38.967 39.000 0.224 0.000 0.984 187 F HN 0.309 nan 8.300 nan 0.000 0.477 188 R N -0.216 120.371 120.500 0.144 0.000 2.091 188 R HA -0.200 4.140 4.340 0.001 0.000 0.238 188 R C 2.488 178.732 176.300 -0.092 0.000 1.136 188 R CA 1.746 57.845 56.100 -0.003 0.000 0.959 188 R CB -0.528 29.784 30.300 0.020 0.000 0.856 188 R HN 0.329 nan 8.270 nan 0.000 0.437 189 R N 1.121 121.586 120.500 -0.057 0.000 2.075 189 R HA -0.097 4.244 4.340 0.001 0.000 0.232 189 R C 2.100 178.351 176.300 -0.082 0.000 1.126 189 R CA 1.404 57.471 56.100 -0.055 0.000 0.963 189 R CB -0.011 30.273 30.300 -0.027 0.000 0.858 189 R HN 0.146 nan 8.270 nan 0.000 0.435 190 R N -0.086 120.348 120.500 -0.110 0.000 2.120 190 R HA -0.061 4.279 4.340 0.001 0.000 0.234 190 R C 2.263 178.455 176.300 -0.181 0.000 1.123 190 R CA 1.337 57.365 56.100 -0.121 0.000 0.975 190 R CB -0.204 30.033 30.300 -0.104 0.000 0.866 190 R HN 0.117 nan 8.270 nan 0.000 0.446 191 V N 1.058 120.780 119.914 -0.320 0.000 2.358 191 V HA -0.227 3.894 4.120 0.001 0.000 0.246 191 V C 2.449 178.463 176.094 -0.135 0.000 1.047 191 V CA 1.926 64.052 62.300 -0.289 0.000 1.035 191 V CB -0.626 30.963 31.823 -0.389 0.000 0.658 191 V HN 0.390 nan 8.190 nan 0.000 0.452 192 A N -0.221 122.533 122.820 -0.109 0.000 1.933 192 A HA -0.158 4.163 4.320 0.001 0.000 0.218 192 A C 2.388 179.942 177.584 -0.049 0.000 1.175 192 A CA 2.043 54.042 52.037 -0.064 0.000 0.628 192 A CB -0.630 18.339 19.000 -0.051 0.000 0.814 192 A HN 0.344 nan 8.150 nan 0.000 0.444 193 V N -0.178 119.710 119.914 -0.045 0.000 2.295 193 V HA -0.248 3.872 4.120 0.001 0.000 0.246 193 V C 3.060 179.151 176.094 -0.006 0.000 1.049 193 V CA 1.934 64.222 62.300 -0.020 0.000 1.024 193 V CB -1.257 30.562 31.823 -0.006 0.000 0.648 193 V HN 0.618 nan 8.190 nan 0.000 0.447 194 A N -0.214 122.610 122.820 0.006 0.000 1.902 194 A HA -0.171 4.149 4.320 0.001 0.000 0.217 194 A C 2.395 179.970 177.584 -0.016 0.000 1.181 194 A CA 2.093 54.169 52.037 0.066 0.000 0.623 194 A CB -0.742 18.310 19.000 0.087 0.000 0.818 194 A HN 0.334 nan 8.150 nan 0.000 0.443 195 V N 0.662 120.552 119.914 -0.040 0.000 2.392 195 V HA -0.257 3.863 4.120 0.001 0.000 0.249 195 V C 2.150 178.191 176.094 -0.089 0.000 1.059 195 V CA 2.317 64.578 62.300 -0.065 0.000 1.051 195 V CB -0.764 31.029 31.823 -0.051 0.000 0.658 195 V HN 0.513 nan 8.190 nan 0.000 0.455 196 D N -0.249 120.107 120.400 -0.073 0.000 2.117 196 D HA -0.141 4.500 4.640 0.001 0.000 0.198 196 D C 2.237 178.468 176.300 -0.114 0.000 0.982 196 D CA 1.177 55.132 54.000 -0.075 0.000 0.828 196 D CB -0.118 40.653 40.800 -0.049 0.000 0.967 196 D HN 0.569 nan 8.370 nan 0.000 0.464 197 E N 0.295 120.409 120.200 -0.142 0.000 2.110 197 E HA -0.109 4.242 4.350 0.001 0.000 0.193 197 E C 2.366 178.707 176.600 -0.431 0.000 0.988 197 E CA 0.465 56.722 56.400 -0.239 0.000 0.804 197 E CB 0.021 29.604 29.700 -0.195 0.000 0.745 197 E HN 0.330 nan 8.360 nan 0.000 0.458 198 I N 1.174 121.460 120.570 -0.472 0.000 2.252 198 I HA -0.220 3.951 4.170 0.001 0.000 0.245 198 I C 2.557 178.535 176.117 -0.232 0.000 1.102 198 I CA 0.840 61.877 61.300 -0.438 0.000 1.385 198 I CB -0.279 37.538 38.000 -0.305 0.000 1.064 198 I HN 0.050 nan 8.210 nan 0.000 0.414 199 A N 0.678 123.399 122.820 -0.164 0.000 2.019 199 A HA -0.081 4.239 4.320 0.001 0.000 0.219 199 A C 2.356 179.884 177.584 -0.092 0.000 1.164 199 A CA 1.669 53.644 52.037 -0.103 0.000 0.644 199 A CB -0.605 18.349 19.000 -0.077 0.000 0.805 199 A HN 0.435 nan 8.150 nan 0.000 0.449 200 A N -1.819 120.932 122.820 -0.114 0.000 2.238 200 A HA 0.409 4.729 4.320 0.001 0.000 0.208 200 A C 1.766 179.298 177.584 -0.086 0.000 1.177 200 A CA 1.167 53.152 52.037 -0.087 0.000 0.804 200 A CB -0.893 18.057 19.000 -0.083 0.000 0.823 200 A HN 1.859 nan 8.150 nan 0.000 0.482 201 G N -0.530 108.200 108.800 -0.116 0.000 2.136 201 G HA2 -0.296 3.664 3.960 0.001 0.000 0.242 201 G HA3 -0.296 3.664 3.960 0.001 0.000 0.242 201 G C 0.947 175.796 174.900 -0.084 0.000 0.989 201 G CA 0.557 45.608 45.100 -0.083 0.000 0.682 201 G HN 0.558 nan 8.290 nan 0.000 0.522 202 R N -1.099 119.297 120.500 -0.173 0.000 2.148 202 R HA 0.213 4.554 4.340 0.001 0.000 0.227 202 R C 0.979 177.324 176.300 0.075 0.000 1.103 202 R CA 1.792 57.846 56.100 -0.077 0.000 0.983 202 R CB -0.090 30.154 30.300 -0.094 0.000 0.874 202 R HN 0.903 nan 8.270 nan 0.000 0.451 203 Y N -6.313 114.004 120.300 0.029 0.000 2.779 203 Y HA 0.236 4.787 4.550 0.001 0.000 0.340 203 Y C 0.524 176.468 175.900 0.075 0.000 1.252 203 Y CA -1.162 56.968 58.100 0.050 0.000 1.072 203 Y CB 0.415 38.896 38.460 0.035 0.000 1.343 203 Y HN -0.238 nan 8.280 nan 0.000 0.450 204 H N 0.809 120.007 119.070 0.213 0.000 2.451 204 H HA 0.355 4.911 4.556 0.001 0.000 0.294 204 H C -0.515 174.913 175.328 0.167 0.000 1.028 204 H CA 1.262 57.383 56.048 0.122 0.000 1.349 204 H CB 0.652 30.467 29.762 0.089 0.000 1.444 204 H HN 0.637 nan 8.280 nan 0.000 0.538 205 K N 0.550 121.129 120.400 0.297 0.000 2.546 205 K HA 0.415 4.735 4.320 0.001 0.000 0.264 205 K C -2.180 174.535 176.600 0.192 0.000 0.937 205 K CA -0.652 55.756 56.287 0.202 0.000 0.833 205 K CB 2.801 35.414 32.500 0.190 0.000 1.378 205 K HN -0.012 nan 8.250 nan 0.000 0.432 206 V N 4.468 124.465 119.914 0.137 0.000 2.932 206 V HA 0.532 4.652 4.120 0.001 0.000 0.307 206 V C -1.695 174.429 176.094 0.051 0.000 1.147 206 V CA -0.841 61.470 62.300 0.019 0.000 0.951 206 V CB 1.864 33.635 31.823 -0.086 0.000 1.031 206 V HN 0.718 nan 8.190 nan 0.000 0.426 207 I N 6.888 127.477 120.570 0.032 0.000 2.304 207 I HA 0.494 4.665 4.170 0.001 0.000 0.291 207 I C -0.027 176.132 176.117 0.070 0.000 1.018 207 I CA 0.200 61.540 61.300 0.067 0.000 1.260 207 I CB 1.210 39.244 38.000 0.056 0.000 1.390 207 I HN 0.445 nan 8.210 nan 0.000 0.475 208 L N 5.614 126.922 121.223 0.141 0.000 2.330 208 L HA 0.776 5.116 4.340 0.001 0.000 0.271 208 L C 0.156 177.253 176.870 0.377 0.000 1.013 208 L CA -0.496 54.454 54.840 0.185 0.000 0.816 208 L CB 1.994 44.106 42.059 0.089 0.000 1.287 208 L HN 0.705 nan 8.230 nan 0.000 0.435 209 S N 0.996 116.895 115.700 0.331 0.000 2.732 209 S HA 0.868 5.338 4.470 0.001 0.000 0.293 209 S C -1.033 173.637 174.600 0.116 0.000 1.159 209 S CA -0.994 57.316 58.200 0.183 0.000 0.847 209 S CB 2.619 65.838 63.200 0.032 0.000 1.169 209 S HN 0.770 nan 8.310 nan 0.000 0.501 210 R N -0.828 119.583 120.500 -0.148 0.000 2.668 210 R HA 0.771 5.112 4.340 0.001 0.000 0.272 210 R C -1.525 174.683 176.300 -0.155 0.000 1.019 210 R CA -0.834 55.200 56.100 -0.110 0.000 0.894 210 R CB 0.661 30.863 30.300 -0.164 0.000 1.228 210 R HN 0.666 nan 8.270 nan 0.000 0.460 211 C N 1.669 120.916 119.300 -0.088 0.000 2.370 211 C HA 0.693 5.153 4.460 0.001 0.000 0.354 211 C C -0.102 174.886 174.990 -0.003 0.000 1.218 211 C CA -0.495 58.506 59.018 -0.029 0.000 2.154 211 C CB 1.218 28.897 27.740 -0.101 0.000 2.391 211 C HN 0.548 nan 8.230 nan 0.000 0.540 212 V N 2.593 122.543 119.914 0.060 0.000 2.443 212 V HA 0.292 4.413 4.120 0.001 0.000 0.293 212 V C -0.321 175.828 176.094 0.091 0.000 1.021 212 V CA -0.319 62.004 62.300 0.038 0.000 0.848 212 V CB 1.554 33.373 31.823 -0.006 0.000 0.998 212 V HN 0.840 nan 8.190 nan 0.000 0.424 213 E N 2.754 122.990 120.200 0.060 0.000 2.338 213 E HA 0.349 4.699 4.350 0.001 0.000 0.272 213 E C -0.575 176.026 176.600 0.002 0.000 1.029 213 E CA 0.062 56.504 56.400 0.069 0.000 0.872 213 E CB 1.430 31.150 29.700 0.032 0.000 1.015 213 E HN 0.452 nan 8.360 nan 0.000 0.417 214 V N 6.944 126.829 119.914 -0.049 0.000 2.333 214 V HA 0.196 4.317 4.120 0.001 0.000 0.274 214 V C -1.497 174.449 176.094 -0.246 0.000 1.028 214 V CA -1.173 60.966 62.300 -0.268 0.000 0.851 214 V CB 1.326 32.874 31.823 -0.458 0.000 1.000 214 V HN 0.734 nan 8.190 nan 0.000 0.456 215 P HA 0.024 nan 4.420 nan 0.000 0.251 215 P C -0.330 177.046 177.300 0.127 0.000 1.251 215 P CA 0.575 63.690 63.100 0.024 0.000 0.763 215 P CB -0.261 31.505 31.700 0.111 0.000 1.067 216 F N -2.454 117.521 119.950 0.042 0.000 2.662 216 F HA 0.781 5.309 4.527 0.001 0.000 0.312 216 F C -0.968 174.861 175.800 0.048 0.000 1.113 216 F CA -2.231 55.792 58.000 0.038 0.000 0.951 216 F CB 0.540 39.553 39.000 0.021 0.000 1.344 216 F HN -0.194 nan 8.300 nan 0.000 0.462 217 A N 2.266 125.254 122.820 0.280 0.000 2.354 217 A HA 0.687 5.007 4.320 0.001 0.000 0.269 217 A C -0.260 177.490 177.584 0.276 0.000 1.109 217 A CA -0.528 51.629 52.037 0.200 0.000 0.800 217 A CB -0.031 19.078 19.000 0.182 0.000 1.045 217 A HN 0.991 nan 8.150 nan 0.000 0.489 218 I N -0.653 120.008 120.570 0.151 0.000 2.648 218 I HA 0.493 4.664 4.170 0.001 0.000 0.304 218 I C -0.565 175.611 176.117 0.099 0.000 1.009 218 I CA -0.865 60.483 61.300 0.081 0.000 1.114 218 I CB 1.922 39.792 38.000 -0.217 0.000 1.293 218 I HN 0.501 nan 8.210 nan 0.000 0.449 219 D N 3.989 124.439 120.400 0.082 0.000 2.347 219 D HA 0.192 4.833 4.640 0.001 0.000 0.235 219 D C 0.407 176.771 176.300 0.105 0.000 1.149 219 D CA -0.172 53.918 54.000 0.150 0.000 0.850 219 D CB 0.780 41.648 40.800 0.113 0.000 1.061 219 D HN 0.545 nan 8.370 nan 0.000 0.487 220 F N 4.021 124.014 119.950 0.072 0.000 2.113 220 F HA -0.009 4.518 4.527 0.001 0.000 0.297 220 F C -0.656 175.213 175.800 0.115 0.000 1.103 220 F CA 0.663 58.703 58.000 0.066 0.000 1.248 220 F CB -1.465 37.556 39.000 0.036 0.000 0.999 220 F HN 0.426 nan 8.300 nan 0.000 0.475 221 P HA -0.158 nan 4.420 nan 0.000 0.215 221 P C 1.950 179.374 177.300 0.207 0.000 1.153 221 P CA 1.511 64.748 63.100 0.228 0.000 0.853 221 P CB -0.047 31.744 31.700 0.150 0.000 0.788 222 L N -1.673 119.637 121.223 0.145 0.000 2.093 222 L HA -0.124 4.216 4.340 0.001 0.000 0.208 222 L C 2.274 179.201 176.870 0.095 0.000 1.085 222 L CA 1.584 56.485 54.840 0.101 0.000 0.755 222 L CB -1.408 40.695 42.059 0.074 0.000 0.904 222 L HN 0.034 nan 8.230 nan 0.000 0.435 223 T N -1.187 113.417 114.554 0.084 0.000 2.777 223 T HA -0.240 4.110 4.350 0.001 0.000 0.266 223 T C 1.695 176.460 174.700 0.108 0.000 1.040 223 T CA 1.334 63.470 62.100 0.061 0.000 1.141 223 T CB -0.348 68.480 68.868 -0.066 0.000 0.868 223 T HN 0.309 nan 8.240 nan 0.000 0.444 224 Y N 2.268 122.591 120.300 0.038 0.000 2.128 224 Y HA -0.201 4.349 4.550 0.001 0.000 0.284 224 Y C 2.471 178.447 175.900 0.127 0.000 1.154 224 Y CA 1.438 59.589 58.100 0.085 0.000 1.149 224 Y CB -0.197 38.300 38.460 0.062 0.000 0.976 224 Y HN 0.022 nan 8.280 nan 0.000 0.505 225 R N -0.601 119.924 120.500 0.042 0.000 2.081 225 R HA -0.161 4.180 4.340 0.001 0.000 0.235 225 R C 2.159 178.367 176.300 -0.153 0.000 1.131 225 R CA 1.477 57.530 56.100 -0.079 0.000 0.960 225 R CB -0.701 29.612 30.300 0.022 0.000 0.856 225 R HN 0.363 nan 8.270 nan 0.000 0.436 226 L N 0.359 121.543 121.223 -0.066 0.000 2.017 226 L HA -0.047 4.294 4.340 0.001 0.000 0.208 226 L C 2.120 178.848 176.870 -0.236 0.000 1.073 226 L CA 2.139 56.957 54.840 -0.037 0.000 0.745 226 L CB -0.979 41.138 42.059 0.098 0.000 0.894 226 L HN 0.201 nan 8.230 nan 0.000 0.432 227 G N -1.443 107.102 108.800 -0.424 0.000 2.421 227 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 227 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 227 G C 1.700 175.967 174.900 -1.055 0.000 1.143 227 G CA 0.595 44.987 45.100 -1.180 0.000 0.784 227 G HN 0.313 nan 8.290 nan 0.000 0.541 228 R N 0.671 120.745 120.500 -0.710 0.000 2.280 228 R HA 0.169 4.510 4.340 0.001 0.000 0.207 228 R C 2.361 178.407 176.300 -0.423 0.000 1.043 228 R CA 0.515 56.266 56.100 -0.582 0.000 1.006 228 R CB -0.411 29.581 30.300 -0.512 0.000 0.885 228 R HN 0.295 nan 8.270 nan 0.000 0.467 229 R N -1.488 118.742 120.500 -0.451 0.000 2.115 229 R HA -0.041 4.299 4.340 0.001 0.000 0.226 229 R C 0.652 176.557 176.300 -0.657 0.000 1.100 229 R CA 1.467 57.255 56.100 -0.521 0.000 0.980 229 R CB -0.030 29.891 30.300 -0.633 0.000 0.875 229 R HN 0.455 nan 8.270 nan 0.000 0.445 230 H N -1.201 117.668 119.070 -0.334 0.000 2.592 230 H HA 0.322 4.878 4.556 0.001 0.000 0.279 230 H C -0.539 174.631 175.328 -0.264 0.000 1.089 230 H CA -0.342 55.563 56.048 -0.239 0.000 1.150 230 H CB 0.414 30.088 29.762 -0.147 0.000 1.575 230 H HN -0.010 nan 8.280 nan 0.000 0.547 231 N N 0.471 119.000 118.700 -0.285 0.000 2.264 231 N HA 0.199 4.940 4.740 0.001 0.000 0.288 231 N C -0.872 174.521 175.510 -0.196 0.000 1.094 231 N CA -0.266 52.625 53.050 -0.265 0.000 0.817 231 N CB 2.488 40.688 38.487 -0.479 0.000 1.604 231 N HN 0.119 nan 8.380 nan 0.000 0.473 232 T N -1.949 112.552 114.554 -0.088 0.000 3.466 232 T HA 0.325 4.675 4.350 0.001 0.000 0.297 232 T C -2.533 172.170 174.700 0.004 0.000 1.640 232 T CA -1.377 60.706 62.100 -0.030 0.000 1.631 232 T CB 0.695 69.558 68.868 -0.008 0.000 0.928 232 T HN 0.220 nan 8.240 nan 0.000 0.688 233 P HA 0.094 nan 4.420 nan 0.000 0.271 233 P C 1.341 178.644 177.300 0.005 0.000 1.233 233 P CA -0.515 62.616 63.100 0.051 0.000 0.789 233 P CB 1.396 33.166 31.700 0.117 0.000 0.951 234 V N 0.969 120.877 119.914 -0.010 0.000 2.469 234 V HA -0.119 4.001 4.120 0.001 0.000 0.251 234 V C 0.905 176.952 176.094 -0.079 0.000 1.064 234 V CA 1.829 64.107 62.300 -0.037 0.000 1.066 234 V CB -0.490 31.314 31.823 -0.032 0.000 0.667 234 V HN 0.531 nan 8.190 nan 0.000 0.461 235 R N -0.469 119.991 120.500 -0.065 0.000 2.739 235 R HA 0.585 4.926 4.340 0.001 0.000 0.271 235 R C -0.933 175.342 176.300 -0.041 0.000 1.010 235 R CA 0.269 56.271 56.100 -0.163 0.000 0.897 235 R CB 1.985 32.185 30.300 -0.167 0.000 1.236 235 R HN 0.399 nan 8.270 nan 0.000 0.466 236 S N 0.300 115.949 115.700 -0.085 0.000 2.607 236 S HA 0.869 5.340 4.470 0.001 0.000 0.273 236 S C -0.997 173.722 174.600 0.198 0.000 1.148 236 S CA -0.845 57.447 58.200 0.153 0.000 0.833 236 S CB 2.041 65.458 63.200 0.362 0.000 1.130 236 S HN 0.526 nan 8.310 nan 0.000 0.470 237 F N -0.360 119.667 119.950 0.128 0.000 2.668 237 F HA 0.905 5.432 4.527 0.001 0.000 0.309 237 F C -2.117 173.668 175.800 -0.026 0.000 1.117 237 F CA -1.255 56.794 58.000 0.080 0.000 0.951 237 F CB 1.354 40.469 39.000 0.192 0.000 1.323 237 F HN 0.748 nan 8.300 nan 0.000 0.451 238 L N 4.161 125.426 121.223 0.069 0.000 2.516 238 L HA 0.814 5.155 4.340 0.001 0.000 0.267 238 L C -2.006 175.010 176.870 0.244 0.000 0.957 238 L CA -0.562 54.277 54.840 -0.003 0.000 0.860 238 L CB 1.896 43.781 42.059 -0.290 0.000 1.265 238 L HN 0.971 nan 8.230 nan 0.000 0.403 239 L N 1.956 123.268 121.223 0.148 0.000 2.415 239 L HA 0.806 5.147 4.340 0.001 0.000 0.256 239 L C -1.094 175.506 176.870 -0.450 0.000 1.010 239 L CA -0.516 54.254 54.840 -0.118 0.000 0.826 239 L CB 2.048 44.150 42.059 0.072 0.000 1.405 239 L HN 0.721 nan 8.230 nan 0.000 0.410 240 Q N 1.693 121.034 119.800 -0.764 0.000 2.650 240 Q HA 0.683 5.024 4.340 0.001 0.000 0.239 240 Q C -2.233 173.491 176.000 -0.460 0.000 0.893 240 Q CA -0.433 54.993 55.803 -0.628 0.000 0.755 240 Q CB 1.663 29.946 28.738 -0.758 0.000 1.349 240 Q HN 0.806 nan 8.270 nan 0.000 0.461 241 L N 2.565 123.630 121.223 -0.263 0.000 2.470 241 L HA 0.706 5.047 4.340 0.001 0.000 0.268 241 L C 0.393 177.225 176.870 -0.063 0.000 0.964 241 L CA 0.841 55.571 54.840 -0.184 0.000 0.839 241 L CB 1.964 43.964 42.059 -0.100 0.000 1.276 241 L HN 0.614 nan 8.230 nan 0.000 0.403 242 G N 3.258 112.011 108.800 -0.078 0.000 2.341 242 G HA2 0.051 4.012 3.960 0.001 0.000 0.292 242 G HA3 0.051 4.012 3.960 0.001 0.000 0.292 242 G C 1.035 175.940 174.900 0.007 0.000 1.021 242 G CA 0.947 46.039 45.100 -0.013 0.000 0.905 242 G HN 2.181 nan 8.290 nan 0.000 0.508 243 G N -1.878 106.901 108.800 -0.035 0.000 2.176 243 G HA2 -0.237 3.723 3.960 0.001 0.000 0.253 243 G HA3 -0.237 3.723 3.960 0.001 0.000 0.253 243 G C 0.302 175.176 174.900 -0.042 0.000 0.979 243 G CA 0.402 45.486 45.100 -0.026 0.000 0.641 243 G HN 1.319 nan 8.290 nan 0.000 0.530 244 I N 0.714 121.242 120.570 -0.070 0.000 2.404 244 I HA 0.545 4.716 4.170 0.001 0.000 0.293 244 I C 0.440 176.414 176.117 -0.239 0.000 0.992 244 I CA -0.878 60.349 61.300 -0.121 0.000 1.149 244 I CB 1.604 39.533 38.000 -0.118 0.000 1.315 244 I HN -0.029 nan 8.210 nan 0.000 0.446 245 R N 4.751 125.034 120.500 -0.361 0.000 2.562 245 R HA 0.894 5.234 4.340 0.001 0.000 0.298 245 R C -1.073 174.866 176.300 -0.601 0.000 0.961 245 R CA -0.764 54.931 56.100 -0.675 0.000 0.881 245 R CB 2.348 31.950 30.300 -1.164 0.000 1.159 245 R HN 0.751 nan 8.270 nan 0.000 0.450 246 A N 2.531 125.144 122.820 -0.345 0.000 2.612 246 A HA 0.690 5.011 4.320 0.001 0.000 0.293 246 A C -1.813 175.856 177.584 0.141 0.000 1.075 246 A CA -0.761 51.308 52.037 0.054 0.000 0.680 246 A CB 1.439 20.573 19.000 0.223 0.000 1.279 246 A HN 0.552 nan 8.150 nan 0.000 0.411 247 L N -1.691 119.447 121.223 -0.142 0.000 2.469 247 L HA 1.081 5.422 4.340 0.001 0.000 0.256 247 L C -0.172 176.006 176.870 -1.153 0.000 1.006 247 L CA -0.008 54.444 54.840 -0.646 0.000 0.832 247 L CB 1.674 43.617 42.059 -0.192 0.000 1.421 247 L HN 1.817 nan 8.230 nan 0.000 0.410 248 G N -0.211 107.644 108.800 -1.575 0.000 2.579 248 G HA2 0.531 4.491 3.960 0.001 0.000 0.292 248 G HA3 0.531 4.491 3.960 0.001 0.000 0.292 248 G C -2.442 171.958 174.900 -0.832 0.000 1.484 248 G CA -0.586 43.861 45.100 -1.090 0.000 0.813 248 G HN 0.528 nan 8.290 nan 0.000 0.515 249 Y N 0.916 121.180 120.300 -0.059 0.000 2.686 249 Y HA 0.594 5.144 4.550 0.001 0.000 0.331 249 Y C 0.850 176.787 175.900 0.062 0.000 0.996 249 Y CA -1.196 56.906 58.100 0.004 0.000 1.293 249 Y CB 1.654 40.103 38.460 -0.018 0.000 1.092 249 Y HN 0.456 nan 8.280 nan 0.000 0.524 250 S N 5.428 121.247 115.700 0.198 0.000 2.525 250 S HA 0.091 4.561 4.470 0.001 0.000 0.285 250 S C -1.320 173.322 174.600 0.069 0.000 1.283 250 S CA -0.903 57.392 58.200 0.158 0.000 1.072 250 S CB 0.574 63.877 63.200 0.172 0.000 0.867 250 S HN 0.498 nan 8.310 nan 0.000 0.492 251 P HA 0.190 nan 4.420 nan 0.000 0.255 251 P C -0.297 176.908 177.300 -0.158 0.000 1.248 251 P CA 0.305 63.315 63.100 -0.150 0.000 0.807 251 P CB 0.128 31.777 31.700 -0.085 0.000 1.150 252 E N 0.061 120.237 120.200 -0.041 0.000 2.347 252 E HA 0.314 4.665 4.350 0.001 0.000 0.285 252 E C -1.761 174.859 176.600 0.033 0.000 0.925 252 E CA -0.891 55.500 56.400 -0.015 0.000 0.779 252 E CB 1.661 31.363 29.700 0.003 0.000 1.233 252 E HN -0.172 nan 8.360 nan 0.000 0.414 253 L N 6.205 127.449 121.223 0.034 0.000 2.295 253 L HA 0.238 4.579 4.340 0.001 0.000 0.288 253 L C 0.169 177.080 176.870 0.069 0.000 1.079 253 L CA 0.249 55.124 54.840 0.058 0.000 0.830 253 L CB 1.035 43.120 42.059 0.044 0.000 1.200 253 L HN 0.643 nan 8.230 nan 0.000 0.438 254 V N 3.203 123.171 119.914 0.091 0.000 2.358 254 V HA -0.003 4.118 4.120 0.001 0.000 0.246 254 V C 0.748 176.899 176.094 0.095 0.000 1.047 254 V CA 1.660 64.023 62.300 0.105 0.000 1.035 254 V CB -0.659 31.261 31.823 0.162 0.000 0.658 254 V HN 0.896 nan 8.190 nan 0.000 0.452 255 T N -0.534 114.068 114.554 0.080 0.000 3.097 255 T HA 0.695 5.046 4.350 0.001 0.000 0.332 255 T C -1.009 173.710 174.700 0.031 0.000 1.269 255 T CA 0.066 62.197 62.100 0.052 0.000 1.076 255 T CB 1.806 70.701 68.868 0.045 0.000 1.209 255 T HN 0.394 nan 8.240 nan 0.000 0.474 256 A N 2.267 125.099 122.820 0.020 0.000 2.381 256 A HA 0.810 5.131 4.320 0.001 0.000 0.299 256 A C -1.097 176.483 177.584 -0.007 0.000 1.049 256 A CA -0.636 51.406 52.037 0.008 0.000 0.715 256 A CB 1.288 20.300 19.000 0.019 0.000 1.222 256 A HN 0.673 nan 8.150 nan 0.000 0.428 257 V N 3.925 123.823 119.914 -0.027 0.000 2.444 257 V HA 0.439 4.560 4.120 0.001 0.000 0.294 257 V C 0.131 176.202 176.094 -0.038 0.000 1.022 257 V CA -0.587 61.694 62.300 -0.032 0.000 0.850 257 V CB 1.509 33.305 31.823 -0.046 0.000 0.992 257 V HN 0.983 nan 8.190 nan 0.000 0.426 258 R N 2.787 123.270 120.500 -0.028 0.000 2.532 258 R HA 0.590 4.931 4.340 0.001 0.000 0.272 258 R C 1.395 177.674 176.300 -0.035 0.000 1.032 258 R CA -0.087 55.995 56.100 -0.030 0.000 1.089 258 R CB 1.154 31.444 30.300 -0.018 0.000 1.098 258 R HN 0.766 nan 8.270 nan 0.000 0.526 259 A N 1.480 124.278 122.820 -0.037 0.000 1.986 259 A HA -0.214 4.107 4.320 0.001 0.000 0.220 259 A C 1.328 178.895 177.584 -0.029 0.000 1.171 259 A CA 2.075 54.089 52.037 -0.038 0.000 0.640 259 A CB -0.511 18.466 19.000 -0.037 0.000 0.811 259 A HN 0.855 nan 8.150 nan 0.000 0.451 260 D N -2.295 118.092 120.400 -0.022 0.000 2.349 260 D HA 0.262 4.903 4.640 0.001 0.000 0.224 260 D C 1.168 177.459 176.300 -0.016 0.000 1.029 260 D CA 1.011 55.001 54.000 -0.017 0.000 0.879 260 D CB -0.536 40.257 40.800 -0.012 0.000 0.906 260 D HN 0.812 nan 8.370 nan 0.000 0.528 261 G N -0.526 108.262 108.800 -0.020 0.000 2.194 261 G HA2 -0.261 3.699 3.960 0.001 0.000 0.236 261 G HA3 -0.261 3.699 3.960 0.001 0.000 0.236 261 G C 0.202 175.094 174.900 -0.013 0.000 0.987 261 G CA 0.091 45.180 45.100 -0.018 0.000 0.635 261 G HN 0.375 nan 8.290 nan 0.000 0.520 262 V N 1.391 121.298 119.914 -0.010 0.000 2.572 262 V HA 0.458 4.578 4.120 0.001 0.000 0.291 262 V C 0.817 176.908 176.094 -0.005 0.000 1.039 262 V CA -0.089 62.208 62.300 -0.005 0.000 1.055 262 V CB 1.561 33.383 31.823 -0.002 0.000 0.969 262 V HN 0.316 nan 8.190 nan 0.000 0.482 263 V N 6.810 126.724 119.914 0.000 0.000 2.555 263 V HA 0.590 4.711 4.120 0.001 0.000 0.302 263 V C -0.148 175.954 176.094 0.013 0.000 1.038 263 V CA -0.472 61.830 62.300 0.004 0.000 0.887 263 V CB 1.838 33.663 31.823 0.004 0.000 0.991 263 V HN 0.668 nan 8.190 nan 0.000 0.434 264 I N 2.555 123.136 120.570 0.018 0.000 2.730 264 I HA 0.674 4.845 4.170 0.001 0.000 0.298 264 I C -0.462 175.677 176.117 0.036 0.000 1.089 264 I CA -0.381 60.935 61.300 0.027 0.000 1.041 264 I CB 2.666 40.681 38.000 0.025 0.000 1.235 264 I HN 0.631 nan 8.210 nan 0.000 0.423 265 T N 3.088 117.669 114.554 0.044 0.000 2.956 265 T HA 0.381 4.732 4.350 0.001 0.000 0.312 265 T C -1.479 173.257 174.700 0.061 0.000 1.151 265 T CA -0.467 61.665 62.100 0.054 0.000 1.024 265 T CB 1.355 70.257 68.868 0.057 0.000 1.140 265 T HN 0.670 nan 8.240 nan 0.000 0.473 266 E N 4.630 124.867 120.200 0.062 0.000 2.795 266 E HA 0.281 4.632 4.350 0.001 0.000 0.226 266 E C -2.505 174.144 176.600 0.081 0.000 1.088 266 E CA -1.915 54.527 56.400 0.070 0.000 0.812 266 E CB 1.272 31.001 29.700 0.047 0.000 1.328 266 E HN 0.434 nan 8.360 nan 0.000 0.410 267 P HA -0.037 nan 4.420 nan 0.000 0.268 267 P C -0.513 176.901 177.300 0.190 0.000 1.204 267 P CA -0.339 62.848 63.100 0.144 0.000 0.768 267 P CB 0.931 32.718 31.700 0.144 0.000 0.842 268 L N 3.349 124.643 121.223 0.119 0.000 2.312 268 L HA 0.486 4.827 4.340 0.001 0.000 0.281 268 L C 1.132 178.040 176.870 0.064 0.000 1.070 268 L CA 0.008 54.879 54.840 0.051 0.000 0.805 268 L CB 1.085 43.150 42.059 0.010 0.000 1.174 268 L HN 0.490 nan 8.230 nan 0.000 0.434 269 A N 3.286 126.032 122.820 -0.123 0.000 1.973 269 A HA 0.701 5.021 4.320 0.001 0.000 0.210 269 A C 0.784 178.342 177.584 -0.043 0.000 1.200 269 A CA 0.747 52.691 52.037 -0.156 0.000 0.707 269 A CB -0.293 18.301 19.000 -0.677 0.000 0.862 269 A HN 0.908 nan 8.150 nan 0.000 0.461 270 G N -2.378 106.401 108.800 -0.036 0.000 2.547 270 G HA2 0.498 4.459 3.960 0.001 0.000 0.291 270 G HA3 0.498 4.459 3.960 0.001 0.000 0.291 270 G C -1.325 173.611 174.900 0.060 0.000 1.471 270 G CA 0.006 45.116 45.100 0.017 0.000 0.798 270 G HN 0.177 nan 8.290 nan 0.000 0.504 271 T N 0.887 115.480 114.554 0.065 0.000 2.912 271 T HA 0.811 5.161 4.350 0.001 0.000 0.299 271 T C -0.581 174.105 174.700 -0.023 0.000 1.052 271 T CA -0.795 61.333 62.100 0.047 0.000 0.996 271 T CB 2.001 70.968 68.868 0.164 0.000 1.070 271 T HN 0.521 nan 8.240 nan 0.000 0.465 272 R N 0.628 121.076 120.500 -0.088 0.000 2.836 272 R HA 0.805 5.145 4.340 0.001 0.000 0.269 272 R C -0.574 175.670 176.300 -0.095 0.000 1.010 272 R CA -0.953 55.105 56.100 -0.070 0.000 0.930 272 R CB 1.648 31.912 30.300 -0.060 0.000 1.218 272 R HN 0.775 nan 8.270 nan 0.000 0.473 273 A N 1.275 124.056 122.820 -0.065 0.000 2.386 273 A HA 0.480 4.800 4.320 0.001 0.000 0.248 273 A C -0.555 176.988 177.584 -0.067 0.000 1.082 273 A CA -0.024 51.975 52.037 -0.063 0.000 0.789 273 A CB 0.315 19.287 19.000 -0.047 0.000 1.025 273 A HN 0.469 nan 8.150 nan 0.000 0.490 274 L N 0.554 121.739 121.223 -0.063 0.000 2.393 274 L HA 0.717 5.058 4.340 0.001 0.000 0.260 274 L C 0.721 177.571 176.870 -0.034 0.000 1.002 274 L CA 1.095 55.903 54.840 -0.054 0.000 0.818 274 L CB 2.034 44.051 42.059 -0.070 0.000 1.369 274 L HN 1.684 nan 8.230 nan 0.000 0.412 275 G N 2.361 111.145 108.800 -0.027 0.000 2.132 275 G HA2 -0.244 3.716 3.960 0.001 0.000 0.234 275 G HA3 -0.244 3.716 3.960 0.001 0.000 0.234 275 G C 0.674 175.564 174.900 -0.017 0.000 0.989 275 G CA 0.426 45.517 45.100 -0.015 0.000 0.676 275 G HN 0.609 nan 8.290 nan 0.000 0.522 276 R N 0.330 120.816 120.500 -0.023 0.000 2.426 276 R HA 0.473 4.814 4.340 0.001 0.000 0.263 276 R C 1.103 177.391 176.300 -0.019 0.000 0.961 276 R CA 0.564 56.650 56.100 -0.023 0.000 1.086 276 R CB 0.280 30.564 30.300 -0.027 0.000 1.186 276 R HN 1.432 nan 8.270 nan 0.000 0.537 277 G N 1.432 110.222 108.800 -0.016 0.000 2.742 277 G HA2 -0.128 3.832 3.960 0.001 0.000 0.686 277 G HA3 -0.128 3.832 3.960 0.001 0.000 0.686 277 G C -2.202 172.689 174.900 -0.014 0.000 1.220 277 G CA -1.044 44.048 45.100 -0.014 0.000 0.783 277 G HN -0.122 nan 8.290 nan 0.000 0.646 278 P HA -0.170 nan 4.420 nan 0.000 0.216 278 P C 1.988 179.281 177.300 -0.012 0.000 1.150 278 P CA 2.492 65.585 63.100 -0.012 0.000 0.843 278 P CB 0.080 31.774 31.700 -0.009 0.000 0.787 279 A N 0.064 122.877 122.820 -0.011 0.000 1.873 279 A HA -0.118 4.202 4.320 0.001 0.000 0.215 279 A C 2.438 180.015 177.584 -0.012 0.000 1.186 279 A CA 1.403 53.434 52.037 -0.010 0.000 0.616 279 A CB -1.450 17.544 19.000 -0.009 0.000 0.823 279 A HN 0.115 nan 8.150 nan 0.000 0.442 280 I N -0.238 120.324 120.570 -0.014 0.000 2.252 280 I HA -0.200 3.971 4.170 0.001 0.000 0.245 280 I C 1.740 177.845 176.117 -0.019 0.000 1.102 280 I CA 1.353 62.644 61.300 -0.016 0.000 1.385 280 I CB -0.510 37.480 38.000 -0.017 0.000 1.064 280 I HN 0.226 nan 8.210 nan 0.000 0.414 281 D N 0.580 120.968 120.400 -0.021 0.000 2.144 281 D HA -0.197 4.444 4.640 0.001 0.000 0.199 281 D C 2.188 178.474 176.300 -0.024 0.000 0.984 281 D CA 1.017 55.002 54.000 -0.026 0.000 0.834 281 D CB -0.238 40.547 40.800 -0.025 0.000 0.955 281 D HN 0.221 nan 8.370 nan 0.000 0.465 282 R N 0.020 120.508 120.500 -0.019 0.000 2.066 282 R HA -0.103 4.237 4.340 0.001 0.000 0.232 282 R C 1.961 178.252 176.300 -0.016 0.000 1.131 282 R CA 0.814 56.904 56.100 -0.016 0.000 0.955 282 R CB -0.220 30.073 30.300 -0.012 0.000 0.851 282 R HN 0.071 nan 8.270 nan 0.000 0.432 283 L N 0.724 121.938 121.223 -0.014 0.000 2.083 283 L HA -0.075 4.265 4.340 0.001 0.000 0.209 283 L C 2.500 179.361 176.870 -0.015 0.000 1.083 283 L CA 1.955 56.788 54.840 -0.012 0.000 0.752 283 L CB -0.802 41.251 42.059 -0.010 0.000 0.899 283 L HN 0.283 nan 8.230 nan 0.000 0.433 284 A N -0.615 122.193 122.820 -0.020 0.000 1.898 284 A HA -0.218 4.103 4.320 0.001 0.000 0.216 284 A C 2.533 180.100 177.584 -0.028 0.000 1.181 284 A CA 1.673 53.695 52.037 -0.024 0.000 0.620 284 A CB -0.499 18.482 19.000 -0.031 0.000 0.819 284 A HN 0.366 nan 8.150 nan 0.000 0.442 285 R N -0.269 120.213 120.500 -0.030 0.000 2.075 285 R HA -0.139 4.202 4.340 0.001 0.000 0.232 285 R C 1.377 177.661 176.300 -0.026 0.000 1.126 285 R CA 1.723 57.804 56.100 -0.032 0.000 0.963 285 R CB -0.335 29.946 30.300 -0.031 0.000 0.858 285 R HN 0.441 nan 8.270 nan 0.000 0.435 286 D N 0.323 120.712 120.400 -0.019 0.000 2.178 286 D HA -0.179 4.461 4.640 0.001 0.000 0.201 286 D C 1.340 177.633 176.300 -0.013 0.000 0.980 286 D CA 1.472 55.464 54.000 -0.014 0.000 0.842 286 D CB -0.247 40.547 40.800 -0.010 0.000 0.948 286 D HN 0.383 nan 8.370 nan 0.000 0.472 287 D N 0.068 120.460 120.400 -0.013 0.000 2.103 287 D HA -0.125 4.516 4.640 0.001 0.000 0.199 287 D C 2.029 178.321 176.300 -0.014 0.000 0.978 287 D CA 0.295 54.289 54.000 -0.010 0.000 0.829 287 D CB -0.124 40.672 40.800 -0.008 0.000 0.981 287 D HN -0.034 nan 8.370 nan 0.000 0.464 288 L N 0.878 122.087 121.223 -0.023 0.000 2.079 288 L HA -0.089 4.252 4.340 0.001 0.000 0.210 288 L C 1.675 178.519 176.870 -0.042 0.000 1.081 288 L CA 1.819 56.639 54.840 -0.033 0.000 0.752 288 L CB -0.439 41.595 42.059 -0.043 0.000 0.896 288 L HN 0.135 nan 8.230 nan 0.000 0.433 289 E N -1.909 118.269 120.200 -0.037 0.000 2.474 289 E HA 0.017 4.368 4.350 0.001 0.000 0.194 289 E C 1.465 178.050 176.600 -0.026 0.000 1.041 289 E CA 0.707 57.082 56.400 -0.042 0.000 0.874 289 E CB 0.165 29.843 29.700 -0.037 0.000 0.914 289 E HN 0.620 nan 8.360 nan 0.000 0.498 290 S N -0.321 115.371 115.700 -0.014 0.000 2.666 290 S HA 0.055 4.526 4.470 0.001 0.000 0.239 290 S C 0.452 175.055 174.600 0.006 0.000 1.031 290 S CA -0.582 57.617 58.200 -0.001 0.000 1.015 290 S CB 0.040 63.241 63.200 0.001 0.000 0.981 290 S HN -0.002 nan 8.310 nan 0.000 0.547 291 N N 2.553 121.255 118.700 0.003 0.000 2.427 291 N HA 0.166 4.906 4.740 0.001 0.000 0.269 291 N C 0.672 176.196 175.510 0.024 0.000 1.235 291 N CA 0.305 53.363 53.050 0.013 0.000 0.934 291 N CB 0.892 39.385 38.487 0.010 0.000 1.121 291 N HN 0.279 nan 8.380 nan 0.000 0.480 292 S N 4.061 119.779 115.700 0.030 0.000 2.359 292 S HA -0.209 4.262 4.470 0.001 0.000 0.223 292 S C 1.705 176.336 174.600 0.052 0.000 1.039 292 S CA 1.270 59.495 58.200 0.040 0.000 1.042 292 S CB -0.100 63.123 63.200 0.038 0.000 0.915 292 S HN 0.725 nan 8.310 nan 0.000 0.439 293 K N 1.320 121.749 120.400 0.049 0.000 2.044 293 K HA -0.214 4.107 4.320 0.001 0.000 0.210 293 K C 2.379 179.022 176.600 0.072 0.000 1.049 293 K CA 1.901 58.225 56.287 0.061 0.000 0.927 293 K CB -0.424 32.106 32.500 0.050 0.000 0.713 293 K HN 0.433 nan 8.250 nan 0.000 0.443 294 E N 1.256 121.490 120.200 0.056 0.000 2.077 294 E HA -0.155 4.196 4.350 0.001 0.000 0.193 294 E C 1.903 178.550 176.600 0.079 0.000 0.989 294 E CA 1.638 58.072 56.400 0.056 0.000 0.800 294 E CB -0.734 28.978 29.700 0.020 0.000 0.746 294 E HN 0.515 nan 8.360 nan 0.000 0.452 295 I N 0.451 121.062 120.570 0.067 0.000 2.202 295 I HA -0.213 3.958 4.170 0.001 0.000 0.242 295 I C 2.638 178.831 176.117 0.126 0.000 1.091 295 I CA 1.210 62.562 61.300 0.087 0.000 1.368 295 I CB -0.304 37.732 38.000 0.061 0.000 1.058 295 I HN 0.220 nan 8.210 nan 0.000 0.410 296 V N 0.614 120.593 119.914 0.108 0.000 2.287 296 V HA -0.254 3.866 4.120 0.001 0.000 0.248 296 V C 2.493 178.662 176.094 0.124 0.000 1.053 296 V CA 1.796 64.161 62.300 0.109 0.000 1.027 296 V CB -0.740 31.148 31.823 0.107 0.000 0.646 296 V HN 0.395 nan 8.190 nan 0.000 0.447 297 E N -0.387 119.901 120.200 0.148 0.000 2.153 297 E HA -0.221 4.130 4.350 0.001 0.000 0.194 297 E C 2.155 178.854 176.600 0.165 0.000 0.988 297 E CA 1.530 58.029 56.400 0.165 0.000 0.811 297 E CB -0.428 29.372 29.700 0.167 0.000 0.746 297 E HN 0.793 nan 8.360 nan 0.000 0.466 298 H N 0.667 119.778 119.070 0.069 0.000 2.363 298 H HA 0.083 4.640 4.556 0.001 0.000 0.301 298 H C 1.843 177.231 175.328 0.101 0.000 1.074 298 H CA 1.716 57.801 56.048 0.062 0.000 1.354 298 H CB -0.095 29.676 29.762 0.015 0.000 1.397 298 H HN 0.114 nan 8.280 nan 0.000 0.516 299 A N 0.677 123.540 122.820 0.071 0.000 1.908 299 A HA -0.127 4.193 4.320 0.001 0.000 0.218 299 A C 2.563 180.147 177.584 0.000 0.000 1.181 299 A CA 1.712 53.789 52.037 0.066 0.000 0.627 299 A CB -0.875 18.201 19.000 0.128 0.000 0.818 299 A HN 0.501 nan 8.150 nan 0.000 0.445 300 I N -0.860 119.715 120.570 0.008 0.000 2.226 300 I HA -0.205 3.966 4.170 0.001 0.000 0.245 300 I C 2.824 178.931 176.117 -0.018 0.000 1.100 300 I CA 1.506 62.794 61.300 -0.020 0.000 1.374 300 I CB -0.206 37.768 38.000 -0.042 0.000 1.057 300 I HN 0.410 nan 8.210 nan 0.000 0.413 301 S N 0.253 115.947 115.700 -0.010 0.000 2.383 301 S HA -0.111 4.359 4.470 0.001 0.000 0.227 301 S C 2.076 176.647 174.600 -0.048 0.000 1.026 301 S CA 1.096 59.293 58.200 -0.005 0.000 0.981 301 S CB -0.135 63.092 63.200 0.045 0.000 0.818 301 S HN 0.219 nan 8.310 nan 0.000 0.472 302 V N 2.104 121.936 119.914 -0.136 0.000 2.358 302 V HA -0.100 4.021 4.120 0.001 0.000 0.246 302 V C 2.638 178.709 176.094 -0.039 0.000 1.047 302 V CA 2.107 64.347 62.300 -0.100 0.000 1.035 302 V CB -0.725 31.030 31.823 -0.114 0.000 0.658 302 V HN 0.480 nan 8.190 nan 0.000 0.452 303 R N -0.077 120.401 120.500 -0.036 0.000 2.091 303 R HA -0.191 4.150 4.340 0.001 0.000 0.238 303 R C 2.600 178.894 176.300 -0.010 0.000 1.136 303 R CA 1.893 57.977 56.100 -0.025 0.000 0.959 303 R CB -0.425 29.859 30.300 -0.026 0.000 0.856 303 R HN 0.485 nan 8.270 nan 0.000 0.437 304 S N -0.407 115.291 115.700 -0.004 0.000 2.356 304 S HA -0.116 4.355 4.470 0.001 0.000 0.223 304 S C 1.922 176.537 174.600 0.025 0.000 1.032 304 S CA 1.788 59.997 58.200 0.015 0.000 1.005 304 S CB -0.216 62.999 63.200 0.025 0.000 0.867 304 S HN 0.470 nan 8.310 nan 0.000 0.449 305 S N 1.551 117.265 115.700 0.022 0.000 2.370 305 S HA -0.025 4.446 4.470 0.001 0.000 0.226 305 S C 1.801 176.416 174.600 0.025 0.000 1.033 305 S CA 1.498 59.717 58.200 0.031 0.000 1.011 305 S CB -0.571 62.648 63.200 0.033 0.000 0.852 305 S HN 0.465 nan 8.310 nan 0.000 0.457 306 L N 1.250 122.480 121.223 0.012 0.000 2.046 306 L HA -0.159 4.181 4.340 0.001 0.000 0.208 306 L C 2.571 179.447 176.870 0.009 0.000 1.077 306 L CA 1.338 56.181 54.840 0.006 0.000 0.747 306 L CB -0.585 41.468 42.059 -0.009 0.000 0.896 306 L HN 0.366 nan 8.230 nan 0.000 0.432 307 E N -0.445 119.762 120.200 0.011 0.000 2.077 307 E HA -0.200 4.151 4.350 0.001 0.000 0.193 307 E C 2.115 178.730 176.600 0.025 0.000 0.989 307 E CA 0.935 57.344 56.400 0.016 0.000 0.800 307 E CB -0.027 29.685 29.700 0.019 0.000 0.746 307 E HN 0.440 nan 8.360 nan 0.000 0.452 308 E N 1.017 121.238 120.200 0.034 0.000 2.031 308 E HA -0.165 4.186 4.350 0.001 0.000 0.193 308 E C 2.223 178.842 176.600 0.032 0.000 0.994 308 E CA 0.663 57.088 56.400 0.042 0.000 0.800 308 E CB -0.384 29.350 29.700 0.057 0.000 0.752 308 E HN 0.289 nan 8.360 nan 0.000 0.447 309 I N 1.340 121.927 120.570 0.029 0.000 2.361 309 I HA -0.239 3.932 4.170 0.001 0.000 0.251 309 I C 1.845 177.971 176.117 0.015 0.000 1.133 309 I CA 1.166 62.480 61.300 0.023 0.000 1.413 309 I CB -0.023 37.990 38.000 0.023 0.000 1.073 309 I HN 0.058 nan 8.210 nan 0.000 0.424 310 T N 0.362 114.924 114.554 0.012 0.000 2.849 310 T HA -0.173 4.178 4.350 0.001 0.000 0.270 310 T C 1.316 176.020 174.700 0.007 0.000 1.066 310 T CA 1.414 63.518 62.100 0.007 0.000 1.130 310 T CB -0.307 68.564 68.868 0.005 0.000 0.864 310 T HN 0.396 nan 8.240 nan 0.000 0.481 311 D N 1.056 121.462 120.400 0.010 0.000 2.348 311 D HA 0.009 4.649 4.640 0.001 0.000 0.216 311 D C 1.390 177.692 176.300 0.003 0.000 0.970 311 D CA 0.632 54.637 54.000 0.007 0.000 0.889 311 D CB 0.050 40.856 40.800 0.010 0.000 0.912 311 D HN 0.580 nan 8.370 nan 0.000 0.524 312 I N -3.704 116.868 120.570 0.004 0.000 4.225 312 I HA 0.401 4.572 4.170 0.001 0.000 0.327 312 I C 0.372 176.488 176.117 -0.002 0.000 1.422 312 I CA -0.853 60.446 61.300 -0.001 0.000 1.150 312 I CB 0.356 38.356 38.000 0.000 0.000 1.192 312 I HN -0.237 nan 8.210 nan 0.000 0.440 313 A N 0.584 123.404 122.820 0.000 0.000 2.281 313 A HA 0.676 4.997 4.320 0.001 0.000 0.329 313 A C -0.109 177.473 177.584 -0.003 0.000 1.122 313 A CA -0.497 51.540 52.037 -0.001 0.000 0.850 313 A CB 0.503 19.504 19.000 0.002 0.000 1.207 313 A HN 0.355 nan 8.150 nan 0.000 0.495 314 E N 1.141 121.339 120.200 -0.004 0.000 2.414 314 E HA 0.176 4.527 4.350 0.001 0.000 0.263 314 E C -2.284 174.314 176.600 -0.004 0.000 1.000 314 E CA -1.250 55.147 56.400 -0.005 0.000 0.914 314 E CB 0.055 29.752 29.700 -0.005 0.000 0.948 314 E HN 0.311 nan 8.360 nan 0.000 0.444 315 P HA -0.075 nan 4.420 nan 0.000 0.261 315 P C 0.478 177.775 177.300 -0.004 0.000 1.183 315 P CA 1.025 64.123 63.100 -0.004 0.000 0.761 315 P CB 0.422 32.120 31.700 -0.004 0.000 0.785 316 G N 2.798 111.595 108.800 -0.005 0.000 2.168 316 G HA2 -0.315 3.645 3.960 0.001 0.000 0.263 316 G HA3 -0.315 3.645 3.960 0.001 0.000 0.263 316 G C 1.071 175.967 174.900 -0.005 0.000 0.977 316 G CA 0.631 45.727 45.100 -0.006 0.000 0.659 316 G HN 0.604 nan 8.290 nan 0.000 0.533 317 S N -0.822 114.875 115.700 -0.004 0.000 2.501 317 S HA 0.633 5.104 4.470 0.001 0.000 0.220 317 S C 1.422 176.022 174.600 -0.001 0.000 0.997 317 S CA 1.230 59.428 58.200 -0.003 0.000 0.919 317 S CB 0.320 63.519 63.200 -0.002 0.000 0.778 317 S HN 1.861 nan 8.310 nan 0.000 0.523 318 A N 1.393 124.211 122.820 -0.002 0.000 2.440 318 A HA 0.751 5.072 4.320 0.001 0.000 0.251 318 A C 0.292 177.873 177.584 -0.005 0.000 1.089 318 A CA 0.125 52.162 52.037 -0.001 0.000 0.779 318 A CB -0.012 18.988 19.000 -0.001 0.000 1.022 318 A HN 1.222 nan 8.150 nan 0.000 0.492 319 A N 1.647 124.467 122.820 -0.001 0.000 2.612 319 A HA 0.602 4.922 4.320 0.001 0.000 0.293 319 A C -1.098 176.490 177.584 0.007 0.000 1.075 319 A CA -0.453 51.581 52.037 -0.005 0.000 0.680 319 A CB 0.986 19.984 19.000 -0.003 0.000 1.279 319 A HN 1.246 nan 8.150 nan 0.000 0.411 320 V N 2.713 122.627 119.914 -0.000 0.000 2.364 320 V HA 0.280 4.401 4.120 0.001 0.000 0.272 320 V C 1.155 177.281 176.094 0.053 0.000 1.036 320 V CA 0.280 62.602 62.300 0.037 0.000 0.880 320 V CB 0.652 32.487 31.823 0.019 0.000 0.991 320 V HN 0.865 nan 8.190 nan 0.000 0.460 321 I N 0.012 120.624 120.570 0.070 0.000 3.783 321 I HA 0.422 4.592 4.170 0.001 0.000 0.310 321 I C 0.615 176.786 176.117 0.091 0.000 1.274 321 I CA 0.738 62.078 61.300 0.066 0.000 1.294 321 I CB 0.129 38.158 38.000 0.048 0.000 1.051 321 I HN 0.553 nan 8.210 nan 0.000 0.435 322 D N 1.677 122.154 120.400 0.128 0.000 2.478 322 D HA 0.448 5.089 4.640 0.001 0.000 0.240 322 D C -1.450 174.986 176.300 0.226 0.000 1.364 322 D CA -0.389 53.695 54.000 0.139 0.000 0.987 322 D CB 0.975 41.831 40.800 0.095 0.000 1.328 322 D HN 0.231 nan 8.370 nan 0.000 0.584 323 F N 3.421 123.409 119.950 0.064 0.000 2.411 323 F HA 0.574 5.102 4.527 0.001 0.000 0.352 323 F C 1.133 176.994 175.800 0.102 0.000 1.123 323 F CA -1.395 56.659 58.000 0.090 0.000 1.044 323 F CB 1.528 40.566 39.000 0.065 0.000 1.135 323 F HN 0.563 nan 8.300 nan 0.000 0.461 324 M N 4.443 123.770 119.600 -0.456 0.000 2.303 324 M HA -0.199 4.281 4.480 0.001 0.000 0.189 324 M C -0.374 175.794 176.300 -0.220 0.000 0.688 324 M CA 1.035 56.059 55.300 -0.461 0.000 0.479 324 M CB -2.033 30.108 32.600 -0.764 0.000 1.094 324 M HN 0.685 nan 8.290 nan 0.000 0.907 325 T N -2.682 111.806 114.554 -0.110 0.000 2.945 325 T HA 0.740 5.091 4.350 0.001 0.000 0.286 325 T C 0.100 174.770 174.700 -0.050 0.000 1.025 325 T CA -1.042 61.026 62.100 -0.052 0.000 1.039 325 T CB 2.649 71.516 68.868 -0.001 0.000 1.068 325 T HN 0.123 nan 8.240 nan 0.000 0.497 326 V N 2.627 122.522 119.914 -0.032 0.000 2.394 326 V HA 0.572 4.693 4.120 0.001 0.000 0.282 326 V C 0.004 176.099 176.094 0.002 0.000 1.031 326 V CA -0.861 61.426 62.300 -0.022 0.000 0.881 326 V CB 1.143 32.947 31.823 -0.032 0.000 0.982 326 V HN 0.748 nan 8.190 nan 0.000 0.451 327 R N 3.273 123.790 120.500 0.028 0.000 2.437 327 R HA 0.457 4.797 4.340 0.001 0.000 0.310 327 R C -0.373 175.949 176.300 0.035 0.000 0.955 327 R CA -0.509 55.618 56.100 0.046 0.000 0.851 327 R CB 1.783 32.132 30.300 0.081 0.000 1.161 327 R HN 0.741 nan 8.270 nan 0.000 0.446 328 E N 2.859 123.064 120.200 0.008 0.000 2.259 328 E HA 0.282 4.632 4.350 0.001 0.000 0.281 328 E C 0.001 176.603 176.600 0.003 0.000 1.027 328 E CA -0.233 56.154 56.400 -0.021 0.000 0.838 328 E CB 1.459 31.144 29.700 -0.024 0.000 1.066 328 E HN 0.181 nan 8.360 nan 0.000 0.401 329 R N 2.399 122.892 120.500 -0.012 0.000 2.795 329 R HA 0.247 4.587 4.340 0.001 0.000 0.320 329 R C 0.385 176.676 176.300 -0.015 0.000 1.223 329 R CA -0.002 56.112 56.100 0.022 0.000 1.305 329 R CB 0.983 31.362 30.300 0.131 0.000 1.318 329 R HN 0.897 nan 8.270 nan 0.000 0.636 330 G N 1.011 109.794 108.800 -0.028 0.000 2.972 330 G HA2 -0.397 3.564 3.960 0.001 0.000 0.265 330 G HA3 -0.397 3.564 3.960 0.001 0.000 0.265 330 G C 0.690 175.578 174.900 -0.020 0.000 1.506 330 G CA 0.333 45.416 45.100 -0.029 0.000 1.016 330 G HN 0.403 nan 8.290 nan 0.000 0.563 331 S N 0.536 116.231 115.700 -0.009 0.000 2.593 331 S HA 0.525 4.995 4.470 0.001 0.000 0.217 331 S C 0.721 175.298 174.600 -0.038 0.000 0.966 331 S CA 1.267 59.468 58.200 0.003 0.000 0.914 331 S CB -0.217 63.022 63.200 0.065 0.000 0.776 331 S HN 2.191 nan 8.310 nan 0.000 0.523 332 V N -0.862 119.000 119.914 -0.086 0.000 3.049 332 V HA 0.734 4.855 4.120 0.001 0.000 0.309 332 V C -1.507 174.389 176.094 -0.331 0.000 1.148 332 V CA -1.204 60.980 62.300 -0.193 0.000 0.990 332 V CB 1.716 33.423 31.823 -0.194 0.000 1.039 332 V HN 0.455 nan 8.190 nan 0.000 0.430 333 Q N 1.003 120.556 119.800 -0.412 0.000 2.356 333 Q HA 0.743 5.083 4.340 0.001 0.000 0.270 333 Q C -1.579 174.132 176.000 -0.481 0.000 1.058 333 Q CA -0.765 54.818 55.803 -0.368 0.000 0.802 333 Q CB 2.479 31.119 28.738 -0.164 0.000 1.303 333 Q HN 0.948 nan 8.270 nan 0.000 0.444 334 H N 0.762 119.816 119.070 -0.026 0.000 2.679 334 H HA 0.608 5.164 4.556 0.001 0.000 0.367 334 H C -1.353 173.934 175.328 -0.068 0.000 1.162 334 H CA -0.954 55.071 56.048 -0.039 0.000 1.181 334 H CB 1.925 31.672 29.762 -0.025 0.000 1.693 334 H HN 0.567 nan 8.280 nan 0.000 0.538 335 L N 1.543 122.779 121.223 0.022 0.000 2.307 335 L HA 0.777 5.118 4.340 0.001 0.000 0.284 335 L C 0.080 176.828 176.870 -0.204 0.000 1.023 335 L CA 0.335 55.109 54.840 -0.110 0.000 0.810 335 L CB 0.860 42.821 42.059 -0.164 0.000 1.231 335 L HN 0.894 nan 8.230 nan 0.000 0.423 336 G N 2.108 110.774 108.800 -0.223 0.000 2.489 336 G HA2 0.629 4.590 3.960 0.001 0.000 0.305 336 G HA3 0.629 4.590 3.960 0.001 0.000 0.305 336 G C -1.813 173.095 174.900 0.013 0.000 1.311 336 G CA -0.435 44.546 45.100 -0.199 0.000 0.813 336 G HN 0.670 nan 8.290 nan 0.000 0.480 337 S N -1.454 114.377 115.700 0.218 0.000 2.627 337 S HA 0.838 5.309 4.470 0.001 0.000 0.283 337 S C -0.917 173.784 174.600 0.168 0.000 1.127 337 S CA -0.560 57.785 58.200 0.243 0.000 0.863 337 S CB 2.120 65.554 63.200 0.391 0.000 1.121 337 S HN 0.712 nan 8.310 nan 0.000 0.479 338 T N 1.853 116.493 114.554 0.144 0.000 2.792 338 T HA 0.595 4.945 4.350 0.001 0.000 0.280 338 T C -0.645 174.110 174.700 0.092 0.000 0.990 338 T CA -0.308 61.852 62.100 0.100 0.000 0.960 338 T CB 0.401 69.314 68.868 0.076 0.000 0.939 338 T HN 0.399 nan 8.240 nan 0.000 0.439 339 I N 3.031 123.644 120.570 0.072 0.000 2.404 339 I HA 0.561 4.732 4.170 0.001 0.000 0.293 339 I C 0.169 176.310 176.117 0.040 0.000 0.992 339 I CA -0.866 60.466 61.300 0.054 0.000 1.149 339 I CB 1.698 39.728 38.000 0.049 0.000 1.315 339 I HN 0.300 nan 8.210 nan 0.000 0.446 340 R N 4.927 125.445 120.500 0.031 0.000 2.744 340 R HA 0.918 5.259 4.340 0.001 0.000 0.279 340 R C -1.666 174.643 176.300 0.015 0.000 0.977 340 R CA -0.355 55.758 56.100 0.023 0.000 0.906 340 R CB 2.476 32.789 30.300 0.022 0.000 1.197 340 R HN 0.805 nan 8.270 nan 0.000 0.463 341 A N 2.841 125.668 122.820 0.011 0.000 2.515 341 A HA 0.601 4.922 4.320 0.001 0.000 0.299 341 A C -1.527 176.058 177.584 0.003 0.000 1.179 341 A CA -0.852 51.189 52.037 0.006 0.000 0.656 341 A CB 1.455 20.459 19.000 0.007 0.000 1.306 341 A HN 0.701 nan 8.150 nan 0.000 0.459 342 R N -0.051 120.449 120.500 0.000 0.000 2.437 342 R HA 0.488 4.829 4.340 0.001 0.000 0.310 342 R C -1.190 175.107 176.300 -0.005 0.000 0.955 342 R CA -0.851 55.246 56.100 -0.003 0.000 0.851 342 R CB 1.761 32.059 30.300 -0.004 0.000 1.161 342 R HN 0.592 nan 8.270 nan 0.000 0.446 343 L N 3.229 124.447 121.223 -0.008 0.000 2.513 343 L HA -0.012 4.329 4.340 0.001 0.000 0.272 343 L C 0.275 177.138 176.870 -0.011 0.000 1.187 343 L CA 0.718 55.551 54.840 -0.011 0.000 0.895 343 L CB 0.179 42.228 42.059 -0.017 0.000 1.147 343 L HN 0.525 nan 8.230 nan 0.000 0.483 344 D N 7.306 127.700 120.400 -0.010 0.000 2.424 344 D HA 0.048 4.689 4.640 0.001 0.000 0.244 344 D C -1.637 174.655 176.300 -0.013 0.000 1.134 344 D CA -1.115 52.879 54.000 -0.010 0.000 0.881 344 D CB 1.622 42.417 40.800 -0.009 0.000 1.191 344 D HN 0.458 nan 8.370 nan 0.000 0.445 345 P HA -0.162 nan 4.420 nan 0.000 0.220 345 P C 1.074 178.365 177.300 -0.016 0.000 1.144 345 P CA 0.945 64.036 63.100 -0.015 0.000 0.800 345 P CB 0.082 31.774 31.700 -0.013 0.000 0.772 346 S N -2.427 113.264 115.700 -0.014 0.000 2.562 346 S HA 0.080 4.551 4.470 0.001 0.000 0.221 346 S C 1.157 175.746 174.600 -0.017 0.000 0.975 346 S CA -0.192 57.999 58.200 -0.015 0.000 0.918 346 S CB -0.494 62.699 63.200 -0.012 0.000 0.772 346 S HN 0.104 nan 8.310 nan 0.000 0.531 347 S N 1.165 116.854 115.700 -0.018 0.000 2.766 347 S HA 0.652 5.123 4.470 0.001 0.000 0.307 347 S C -1.356 173.228 174.600 -0.027 0.000 1.121 347 S CA -0.462 57.726 58.200 -0.021 0.000 0.980 347 S CB 1.360 64.550 63.200 -0.017 0.000 1.159 347 S HN 0.653 nan 8.310 nan 0.000 0.546 348 D N -1.310 119.072 120.400 -0.031 0.000 2.610 348 D HA 0.344 4.984 4.640 0.001 0.000 0.271 348 D C 0.805 177.078 176.300 -0.045 0.000 1.174 348 D CA -0.853 53.122 54.000 -0.041 0.000 0.949 348 D CB 0.519 41.291 40.800 -0.047 0.000 1.430 348 D HN 0.519 nan 8.370 nan 0.000 0.467 349 R N -0.404 120.061 120.500 -0.059 0.000 2.105 349 R HA -0.138 4.203 4.340 0.001 0.000 0.239 349 R C 1.338 177.596 176.300 -0.071 0.000 1.135 349 R CA 1.086 57.145 56.100 -0.068 0.000 0.967 349 R CB -0.557 29.688 30.300 -0.091 0.000 0.861 349 R HN 0.328 nan 8.270 nan 0.000 0.442 350 M N 1.059 120.613 119.600 -0.077 0.000 2.175 350 M HA 0.034 4.515 4.480 0.001 0.000 0.264 350 M C 2.464 178.748 176.300 -0.026 0.000 1.063 350 M CA 1.625 56.885 55.300 -0.068 0.000 1.119 350 M CB -0.918 31.639 32.600 -0.072 0.000 1.377 350 M HN 0.422 nan 8.290 nan 0.000 0.415 351 A N 0.049 122.851 122.820 -0.029 0.000 1.933 351 A HA 0.007 4.328 4.320 0.001 0.000 0.218 351 A C 2.409 179.991 177.584 -0.004 0.000 1.175 351 A CA 1.929 53.955 52.037 -0.018 0.000 0.628 351 A CB -0.808 18.178 19.000 -0.023 0.000 0.814 351 A HN 0.464 nan 8.150 nan 0.000 0.444 352 A N -0.363 122.451 122.820 -0.010 0.000 1.877 352 A HA -0.044 4.276 4.320 0.001 0.000 0.216 352 A C 2.141 179.740 177.584 0.025 0.000 1.186 352 A CA 1.757 53.795 52.037 0.003 0.000 0.620 352 A CB -0.648 18.346 19.000 -0.010 0.000 0.822 352 A HN 0.710 nan 8.150 nan 0.000 0.443 353 L N 0.178 121.408 121.223 0.011 0.000 2.017 353 L HA -0.143 4.197 4.340 0.001 0.000 0.208 353 L C 2.166 179.111 176.870 0.124 0.000 1.073 353 L CA 2.433 57.294 54.840 0.035 0.000 0.745 353 L CB -0.726 41.288 42.059 -0.075 0.000 0.894 353 L HN 0.523 nan 8.230 nan 0.000 0.432 354 E N -0.442 119.823 120.200 0.108 0.000 2.160 354 E HA -0.221 4.130 4.350 0.001 0.000 0.195 354 E C 2.078 178.727 176.600 0.080 0.000 0.991 354 E CA 1.077 57.544 56.400 0.111 0.000 0.810 354 E CB -0.267 29.435 29.700 0.003 0.000 0.742 354 E HN 0.676 nan 8.360 nan 0.000 0.466 355 A N 0.593 123.449 122.820 0.060 0.000 2.014 355 A HA -0.040 4.280 4.320 0.001 0.000 0.218 355 A C 1.901 179.536 177.584 0.086 0.000 1.163 355 A CA 0.757 52.823 52.037 0.048 0.000 0.652 355 A CB -0.060 18.959 19.000 0.031 0.000 0.808 355 A HN 0.130 nan 8.150 nan 0.000 0.449 356 L N -2.106 119.192 121.223 0.125 0.000 2.728 356 L HA 0.374 4.715 4.340 0.001 0.000 0.238 356 L C -0.127 176.863 176.870 0.200 0.000 1.143 356 L CA -0.243 54.679 54.840 0.136 0.000 0.937 356 L CB 0.244 42.372 42.059 0.114 0.000 1.225 356 L HN 0.340 nan 8.230 nan 0.000 0.507 357 F N 1.626 121.613 119.950 0.062 0.000 2.495 357 F HA 0.570 5.098 4.527 0.001 0.000 0.327 357 F C -2.391 173.446 175.800 0.063 0.000 1.103 357 F CA -2.516 55.532 58.000 0.080 0.000 0.949 357 F CB 1.720 40.796 39.000 0.127 0.000 1.142 357 F HN -0.233 nan 8.300 nan 0.000 0.457 358 P HA 0.320 nan 4.420 nan 0.000 0.276 358 P C -1.278 175.870 177.300 -0.253 0.000 1.252 358 P CA -0.460 62.207 63.100 -0.721 0.000 0.802 358 P CB 0.761 32.162 31.700 -0.498 0.000 1.035 359 A N 1.303 123.978 122.820 -0.242 0.000 2.386 359 A HA 0.137 4.458 4.320 0.001 0.000 0.248 359 A C 1.572 179.149 177.584 -0.011 0.000 1.082 359 A CA -0.290 51.712 52.037 -0.059 0.000 0.789 359 A CB -0.420 18.560 19.000 -0.035 0.000 1.025 359 A HN 0.399 nan 8.150 nan 0.000 0.490 360 V N 1.797 121.729 119.914 0.029 0.000 2.392 360 V HA -0.212 3.909 4.120 0.001 0.000 0.249 360 V C 2.524 178.646 176.094 0.047 0.000 1.059 360 V CA 2.668 64.996 62.300 0.047 0.000 1.051 360 V CB -1.045 30.816 31.823 0.062 0.000 0.658 360 V HN 0.997 nan 8.190 nan 0.000 0.455 361 T N -0.133 114.446 114.554 0.041 0.000 2.977 361 T HA -0.052 4.298 4.350 0.001 0.000 0.271 361 T C 1.552 176.258 174.700 0.010 0.000 1.105 361 T CA 1.338 63.462 62.100 0.039 0.000 1.116 361 T CB -0.175 68.714 68.868 0.035 0.000 0.878 361 T HN 0.583 nan 8.240 nan 0.000 0.509 362 A N 0.367 123.183 122.820 -0.008 0.000 2.382 362 A HA 0.438 4.759 4.320 0.001 0.000 0.228 362 A C 2.008 179.617 177.584 0.042 0.000 1.217 362 A CA 0.559 52.573 52.037 -0.039 0.000 0.923 362 A CB 0.304 19.262 19.000 -0.070 0.000 0.979 362 A HN 0.479 nan 8.150 nan 0.000 0.515 363 S N -1.787 113.956 115.700 0.071 0.000 3.316 363 S HA 0.713 5.184 4.470 0.001 0.000 0.174 363 S C 0.850 175.464 174.600 0.024 0.000 0.734 363 S CA 0.595 58.852 58.200 0.096 0.000 0.861 363 S CB 0.121 63.389 63.200 0.114 0.000 1.009 363 S HN 1.667 nan 8.310 nan 0.000 0.728 364 G N 0.418 109.230 108.800 0.020 0.000 2.333 364 G HA2 0.430 4.390 3.960 0.001 0.000 0.288 364 G HA3 0.430 4.390 3.960 0.001 0.000 0.288 364 G C -2.292 172.632 174.900 0.041 0.000 1.286 364 G CA -0.608 44.505 45.100 0.022 0.000 0.865 364 G HN 0.485 nan 8.290 nan 0.000 0.506 365 I N 2.130 122.755 120.570 0.091 0.000 2.500 365 I HA 0.364 4.535 4.170 0.001 0.000 0.286 365 I C -2.399 173.812 176.117 0.156 0.000 1.063 365 I CA -1.961 59.405 61.300 0.110 0.000 1.062 365 I CB 1.998 40.092 38.000 0.156 0.000 1.223 365 I HN 0.266 nan 8.210 nan 0.000 0.435 366 P HA 0.213 nan 4.420 nan 0.000 0.274 366 P C 0.439 177.696 177.300 -0.073 0.000 1.231 366 P CA -0.334 62.773 63.100 0.011 0.000 0.790 366 P CB 1.447 33.151 31.700 0.007 0.000 0.951 367 K N 1.805 122.144 120.400 -0.100 0.000 2.074 367 K HA -0.185 4.136 4.320 0.001 0.000 0.209 367 K C 2.077 178.344 176.600 -0.554 0.000 1.048 367 K CA 2.073 58.239 56.287 -0.202 0.000 0.926 367 K CB -0.662 31.814 32.500 -0.041 0.000 0.713 367 K HN 0.490 nan 8.250 nan 0.000 0.444 368 A N 1.497 123.837 122.820 -0.800 0.000 1.908 368 A HA -0.157 4.163 4.320 0.001 0.000 0.218 368 A C 2.370 179.717 177.584 -0.394 0.000 1.181 368 A CA 2.014 53.474 52.037 -0.961 0.000 0.627 368 A CB -0.660 18.021 19.000 -0.530 0.000 0.818 368 A HN 0.363 nan 8.150 nan 0.000 0.445 369 A N -0.738 121.942 122.820 -0.234 0.000 1.929 369 A HA 0.224 4.545 4.320 0.001 0.000 0.216 369 A C 2.369 179.763 177.584 -0.317 0.000 1.176 369 A CA 1.689 53.632 52.037 -0.156 0.000 0.628 369 A CB -1.224 17.773 19.000 -0.005 0.000 0.816 369 A HN 0.686 nan 8.150 nan 0.000 0.444 370 G N -0.372 108.239 108.800 -0.314 0.000 2.421 370 G HA2 -0.108 3.853 3.960 0.001 0.000 0.216 370 G HA3 -0.108 3.853 3.960 0.001 0.000 0.216 370 G C 1.498 176.296 174.900 -0.170 0.000 1.171 370 G CA 1.237 46.139 45.100 -0.329 0.000 0.775 370 G HN 0.290 nan 8.290 nan 0.000 0.543 371 V N 0.765 120.627 119.914 -0.087 0.000 2.343 371 V HA -0.158 3.963 4.120 0.001 0.000 0.247 371 V C 2.740 178.925 176.094 0.151 0.000 1.051 371 V CA 2.058 64.406 62.300 0.079 0.000 1.036 371 V CB -0.253 31.618 31.823 0.081 0.000 0.654 371 V HN 0.390 nan 8.190 nan 0.000 0.451 372 E N 0.605 120.873 120.200 0.113 0.000 2.077 372 E HA -0.221 4.130 4.350 0.001 0.000 0.193 372 E C 2.264 178.970 176.600 0.177 0.000 0.989 372 E CA 1.668 58.204 56.400 0.227 0.000 0.800 372 E CB -0.177 29.573 29.700 0.082 0.000 0.746 372 E HN 0.528 nan 8.360 nan 0.000 0.452 373 A N 1.006 123.813 122.820 -0.021 0.000 1.933 373 A HA -0.117 4.204 4.320 0.001 0.000 0.218 373 A C 2.362 179.958 177.584 0.020 0.000 1.175 373 A CA 1.112 53.123 52.037 -0.044 0.000 0.628 373 A CB -0.600 18.206 19.000 -0.324 0.000 0.814 373 A HN 0.300 nan 8.150 nan 0.000 0.444 374 I N -1.750 118.816 120.570 -0.007 0.000 2.361 374 I HA -0.253 3.917 4.170 0.001 0.000 0.251 374 I C 2.086 178.204 176.117 0.002 0.000 1.133 374 I CA 1.161 62.435 61.300 -0.044 0.000 1.413 374 I CB -0.325 37.600 38.000 -0.125 0.000 1.073 374 I HN 0.292 nan 8.210 nan 0.000 0.424 375 F N 0.950 120.942 119.950 0.071 0.000 2.202 375 F HA -0.179 4.348 4.527 0.001 0.000 0.301 375 F C 2.550 178.378 175.800 0.047 0.000 1.082 375 F CA 1.511 59.557 58.000 0.076 0.000 1.313 375 F CB -0.312 38.733 39.000 0.075 0.000 1.024 375 F HN -0.048 nan 8.300 nan 0.000 0.495 376 R N -0.833 119.801 120.500 0.223 0.000 2.175 376 R HA 0.184 4.525 4.340 0.001 0.000 0.202 376 R C 1.516 177.868 176.300 0.087 0.000 1.018 376 R CA 0.636 56.818 56.100 0.136 0.000 1.029 376 R CB -0.040 30.329 30.300 0.114 0.000 0.959 376 R HN 0.263 nan 8.270 nan 0.000 0.480 377 L N -0.129 121.134 121.223 0.068 0.000 2.693 377 L HA 0.282 4.623 4.340 0.001 0.000 0.235 377 L C -0.311 176.576 176.870 0.028 0.000 1.127 377 L CA -0.098 54.766 54.840 0.040 0.000 0.914 377 L CB 0.266 42.346 42.059 0.034 0.000 1.193 377 L HN -0.025 nan 8.230 nan 0.000 0.502 378 D N 0.162 120.577 120.400 0.025 0.000 2.477 378 D HA 0.401 5.042 4.640 0.001 0.000 0.234 378 D C -0.091 176.214 176.300 0.009 0.000 1.048 378 D CA -0.122 53.886 54.000 0.014 0.000 0.959 378 D CB 1.582 42.365 40.800 -0.028 0.000 1.408 378 D HN 0.036 nan 8.370 nan 0.000 0.496 379 E N 0.388 120.587 120.200 -0.003 0.000 2.217 379 E HA 0.457 4.808 4.350 0.001 0.000 0.279 379 E C -0.568 176.022 176.600 -0.017 0.000 1.068 379 E CA -0.290 56.101 56.400 -0.014 0.000 0.882 379 E CB -0.173 29.497 29.700 -0.049 0.000 1.039 379 E HN 0.494 nan 8.360 nan 0.000 0.418 380 C N 3.645 122.957 119.300 0.019 0.000 2.614 380 C HA 0.800 5.260 4.460 0.001 0.000 0.320 380 C C -1.886 173.150 174.990 0.076 0.000 1.200 380 C CA -1.184 57.861 59.018 0.045 0.000 1.700 380 C CB 1.319 29.105 27.740 0.077 0.000 2.275 380 C HN 0.922 nan 8.230 nan 0.000 0.492 381 P HA 0.399 nan 4.420 nan 0.000 0.274 381 P C 0.559 177.918 177.300 0.098 0.000 1.231 381 P CA -0.373 62.808 63.100 0.135 0.000 0.790 381 P CB 0.621 32.435 31.700 0.191 0.000 0.951 382 R N 0.806 121.378 120.500 0.120 0.000 2.119 382 R HA 0.104 4.445 4.340 0.001 0.000 0.222 382 R C 1.381 177.774 176.300 0.156 0.000 1.088 382 R CA 0.957 57.124 56.100 0.111 0.000 0.984 382 R CB -0.587 29.728 30.300 0.024 0.000 0.884 382 R HN 0.879 nan 8.270 nan 0.000 0.447 383 G N 0.742 109.673 108.800 0.218 0.000 2.531 383 G HA2 -0.360 3.601 3.960 0.001 0.000 0.274 383 G HA3 -0.360 3.601 3.960 0.001 0.000 0.274 383 G C 0.488 175.476 174.900 0.147 0.000 1.159 383 G CA 0.163 45.373 45.100 0.183 0.000 0.969 383 G HN 0.134 nan 8.290 nan 0.000 0.554 384 L N 0.217 121.357 121.223 -0.139 0.000 2.083 384 L HA 0.173 4.514 4.340 0.001 0.000 0.209 384 L C 1.784 178.711 176.870 0.095 0.000 1.083 384 L CA 1.710 56.469 54.840 -0.134 0.000 0.752 384 L CB -0.737 41.102 42.059 -0.366 0.000 0.899 384 L HN 0.530 nan 8.230 nan 0.000 0.433 385 Y N 1.240 121.500 120.300 -0.068 0.000 2.721 385 Y HA 0.098 4.648 4.550 0.001 0.000 0.329 385 Y C 1.395 177.358 175.900 0.105 0.000 1.211 385 Y CA -0.102 58.036 58.100 0.063 0.000 1.512 385 Y CB 0.220 38.674 38.460 -0.010 0.000 1.249 385 Y HN 0.379 nan 8.280 nan 0.000 0.549 386 S N 1.301 116.641 115.700 -0.600 0.000 3.084 386 S HA -0.202 4.269 4.470 0.001 0.000 0.277 386 S C 0.545 175.138 174.600 -0.012 0.000 1.295 386 S CA 0.744 58.667 58.200 -0.463 0.000 1.170 386 S CB -2.278 60.509 63.200 -0.688 0.000 1.412 386 S HN 1.420 nan 8.310 nan 0.000 0.669 387 G N 1.023 109.923 108.800 0.167 0.000 2.882 387 G HA2 0.859 4.820 3.960 0.001 0.000 0.164 387 G HA3 0.859 4.820 3.960 0.001 0.000 0.164 387 G C -0.041 175.089 174.900 0.383 0.000 1.429 387 G CA -0.214 45.154 45.100 0.447 0.000 1.059 387 G HN 1.725 nan 8.290 nan 0.000 0.581 388 A N -2.077 120.960 122.820 0.362 0.000 2.572 388 A HA 0.644 4.965 4.320 0.001 0.000 0.295 388 A C -1.377 176.242 177.584 0.058 0.000 1.072 388 A CA -0.388 51.768 52.037 0.199 0.000 0.691 388 A CB 1.708 20.851 19.000 0.239 0.000 1.291 388 A HN 0.926 nan 8.150 nan 0.000 0.404 389 V N 1.584 121.481 119.914 -0.028 0.000 2.427 389 V HA 0.615 4.736 4.120 0.001 0.000 0.286 389 V C 0.074 176.086 176.094 -0.136 0.000 1.034 389 V CA -0.212 62.018 62.300 -0.117 0.000 0.893 389 V CB 1.241 32.882 31.823 -0.304 0.000 0.982 389 V HN 1.248 nan 8.190 nan 0.000 0.452 390 V N 3.000 122.762 119.914 -0.254 0.000 2.914 390 V HA 0.784 4.904 4.120 0.001 0.000 0.314 390 V C -0.662 175.095 176.094 -0.562 0.000 1.084 390 V CA -0.884 61.181 62.300 -0.391 0.000 0.963 390 V CB 2.094 33.715 31.823 -0.335 0.000 1.025 390 V HN 0.890 nan 8.190 nan 0.000 0.432 391 M N 3.917 123.132 119.600 -0.643 0.000 2.213 391 M HA 0.712 5.193 4.480 0.001 0.000 0.286 391 M C -2.428 173.521 176.300 -0.585 0.000 1.008 391 M CA -0.489 54.354 55.300 -0.761 0.000 0.937 391 M CB 1.645 33.804 32.600 -0.734 0.000 1.600 391 M HN 0.768 nan 8.290 nan 0.000 0.450 392 L N 3.022 123.859 121.223 -0.643 0.000 2.334 392 L HA 0.714 5.054 4.340 0.001 0.000 0.273 392 L C -0.420 176.188 176.870 -0.438 0.000 1.013 392 L CA -0.188 54.383 54.840 -0.448 0.000 0.816 392 L CB 2.391 44.222 42.059 -0.380 0.000 1.278 392 L HN 0.652 nan 8.230 nan 0.000 0.431 393 S N -0.055 115.465 115.700 -0.300 0.000 2.566 393 S HA 0.595 5.066 4.470 0.001 0.000 0.298 393 S C 0.822 175.311 174.600 -0.184 0.000 1.083 393 S CA -0.140 57.912 58.200 -0.246 0.000 0.978 393 S CB 1.852 64.934 63.200 -0.196 0.000 1.073 393 S HN 0.729 nan 8.310 nan 0.000 0.491 394 A N 1.430 124.155 122.820 -0.158 0.000 2.070 394 A HA -0.132 4.189 4.320 0.001 0.000 0.220 394 A C 1.479 179.005 177.584 -0.097 0.000 1.159 394 A CA 1.828 53.793 52.037 -0.120 0.000 0.656 394 A CB -0.652 18.288 19.000 -0.100 0.000 0.800 394 A HN 0.857 nan 8.150 nan 0.000 0.453 395 D N -2.246 118.098 120.400 -0.094 0.000 2.363 395 D HA 0.270 4.911 4.640 0.001 0.000 0.226 395 D C 1.135 177.391 176.300 -0.074 0.000 1.020 395 D CA 0.966 54.922 54.000 -0.073 0.000 0.892 395 D CB -0.481 40.281 40.800 -0.063 0.000 0.900 395 D HN 0.734 nan 8.370 nan 0.000 0.531 396 G N -1.084 107.661 108.800 -0.092 0.000 2.201 396 G HA2 -0.133 3.828 3.960 0.001 0.000 0.212 396 G HA3 -0.133 3.828 3.960 0.001 0.000 0.212 396 G C 0.651 175.492 174.900 -0.098 0.000 0.994 396 G CA -0.128 44.919 45.100 -0.089 0.000 0.644 396 G HN 0.751 nan 8.290 nan 0.000 0.508 397 G N -0.308 108.426 108.800 -0.109 0.000 2.544 397 G HA2 0.593 4.553 3.960 0.001 0.000 0.242 397 G HA3 0.593 4.553 3.960 0.001 0.000 0.242 397 G C -0.338 174.474 174.900 -0.147 0.000 1.247 397 G CA 0.479 45.511 45.100 -0.113 0.000 0.840 397 G HN 1.315 nan 8.290 nan 0.000 0.578 398 L N 0.896 122.042 121.223 -0.129 0.000 2.526 398 L HA 0.524 4.864 4.340 0.001 0.000 0.263 398 L C -1.909 174.895 176.870 -0.111 0.000 0.943 398 L CA -0.850 53.897 54.840 -0.155 0.000 0.859 398 L CB 2.463 44.437 42.059 -0.141 0.000 1.313 398 L HN 0.524 nan 8.230 nan 0.000 0.406 399 D N 3.992 124.313 120.400 -0.132 0.000 2.863 399 D HA 0.673 5.314 4.640 0.001 0.000 0.245 399 D C -1.539 174.730 176.300 -0.052 0.000 1.211 399 D CA -0.143 53.837 54.000 -0.034 0.000 0.888 399 D CB 2.513 43.350 40.800 0.063 0.000 1.483 399 D HN 0.701 nan 8.370 nan 0.000 0.533 400 A N 2.284 125.122 122.820 0.030 0.000 2.357 400 A HA 0.707 5.028 4.320 0.001 0.000 0.295 400 A C -0.778 176.890 177.584 0.141 0.000 1.121 400 A CA -0.561 51.500 52.037 0.041 0.000 0.742 400 A CB 1.448 20.445 19.000 -0.005 0.000 1.181 400 A HN 0.522 nan 8.150 nan 0.000 0.454 401 A N 2.162 125.107 122.820 0.209 0.000 2.292 401 A HA 0.632 4.952 4.320 0.001 0.000 0.319 401 A C -0.242 177.442 177.584 0.167 0.000 1.206 401 A CA -0.522 51.638 52.037 0.204 0.000 0.835 401 A CB 0.419 19.584 19.000 0.275 0.000 1.164 401 A HN 1.444 nan 8.150 nan 0.000 0.505 402 L N 2.442 123.749 121.223 0.140 0.000 2.462 402 L HA 0.246 4.586 4.340 0.001 0.000 0.272 402 L C 0.536 177.492 176.870 0.143 0.000 1.166 402 L CA 0.984 55.896 54.840 0.120 0.000 0.880 402 L CB 0.518 42.619 42.059 0.070 0.000 1.142 402 L HN 0.637 nan 8.230 nan 0.000 0.473 403 T N 7.387 122.023 114.554 0.136 0.000 3.176 403 T HA 0.430 4.781 4.350 0.001 0.000 0.301 403 T C 0.043 174.857 174.700 0.189 0.000 1.115 403 T CA -0.025 62.199 62.100 0.205 0.000 1.027 403 T CB -0.725 68.250 68.868 0.178 0.000 1.063 403 T HN 0.393 nan 8.240 nan 0.000 0.669 404 L N 1.167 122.513 121.223 0.205 0.000 2.359 404 L HA 0.627 4.968 4.340 0.001 0.000 0.256 404 L C 0.659 177.648 176.870 0.198 0.000 1.026 404 L CA -1.495 53.469 54.840 0.207 0.000 0.828 404 L CB 1.710 43.841 42.059 0.120 0.000 1.406 404 L HN 0.380 nan 8.230 nan 0.000 0.413 405 R N 0.922 121.534 120.500 0.186 0.000 3.267 405 R HA -0.153 4.188 4.340 0.001 0.000 0.254 405 R C -1.173 175.124 176.300 -0.005 0.000 0.993 405 R CA 0.611 56.780 56.100 0.116 0.000 0.670 405 R CB -0.985 29.413 30.300 0.163 0.000 1.125 405 R HN 0.749 nan 8.270 nan 0.000 0.434 406 A N 0.109 122.885 122.820 -0.073 0.000 2.479 406 A HA 0.926 5.247 4.320 0.001 0.000 0.296 406 A C -0.900 176.288 177.584 -0.661 0.000 1.121 406 A CA -0.054 51.765 52.037 -0.362 0.000 0.743 406 A CB 1.974 20.833 19.000 -0.236 0.000 1.323 406 A HN 0.602 nan 8.150 nan 0.000 0.415 407 A N 0.021 122.366 122.820 -0.792 0.000 2.374 407 A HA 0.868 5.189 4.320 0.001 0.000 0.317 407 A C -1.418 175.644 177.584 -0.869 0.000 1.094 407 A CA -0.404 51.183 52.037 -0.749 0.000 0.765 407 A CB 0.747 19.458 19.000 -0.483 0.000 1.268 407 A HN 0.945 nan 8.150 nan 0.000 0.438 408 Y N -0.450 119.599 120.300 -0.419 0.000 2.553 408 Y HA 0.685 5.236 4.550 0.001 0.000 0.347 408 Y C -0.061 175.573 175.900 -0.443 0.000 1.019 408 Y CA -0.655 57.112 58.100 -0.554 0.000 1.032 408 Y CB 2.199 39.893 38.460 -1.276 0.000 1.284 408 Y HN 0.705 nan 8.280 nan 0.000 0.466 409 Q N 2.000 121.735 119.800 -0.109 0.000 2.269 409 Q HA 0.742 5.083 4.340 0.001 0.000 0.263 409 Q C -2.430 173.587 176.000 0.029 0.000 0.983 409 Q CA -0.621 55.205 55.803 0.038 0.000 0.777 409 Q CB 2.121 30.916 28.738 0.094 0.000 1.273 409 Q HN 0.677 nan 8.270 nan 0.000 0.440 410 V N 2.304 122.364 119.914 0.242 0.000 2.733 410 V HA 0.565 4.686 4.120 0.001 0.000 0.306 410 V C 0.538 176.751 176.094 0.198 0.000 1.084 410 V CA -0.024 62.402 62.300 0.209 0.000 0.905 410 V CB 1.768 33.775 31.823 0.305 0.000 1.010 410 V HN 1.016 nan 8.190 nan 0.000 0.424 411 G N 3.006 111.872 108.800 0.110 0.000 2.323 411 G HA2 0.093 4.054 3.960 0.001 0.000 0.292 411 G HA3 0.093 4.054 3.960 0.001 0.000 0.292 411 G C 1.279 176.232 174.900 0.089 0.000 1.040 411 G CA 1.025 46.175 45.100 0.084 0.000 0.942 411 G HN 2.522 nan 8.290 nan 0.000 0.506 412 G N -1.599 107.259 108.800 0.096 0.000 2.189 412 G HA2 -0.325 3.636 3.960 0.001 0.000 0.267 412 G HA3 -0.325 3.636 3.960 0.001 0.000 0.267 412 G C 0.515 175.491 174.900 0.126 0.000 0.975 412 G CA 1.111 46.269 45.100 0.097 0.000 0.644 412 G HN 1.051 nan 8.290 nan 0.000 0.537 413 R N 0.533 121.141 120.500 0.180 0.000 2.312 413 R HA 0.581 4.921 4.340 0.001 0.000 0.311 413 R C -0.639 175.909 176.300 0.414 0.000 1.004 413 R CA -0.096 56.147 56.100 0.238 0.000 0.902 413 R CB 1.262 31.667 30.300 0.176 0.000 1.073 413 R HN 0.141 nan 8.270 nan 0.000 0.457 414 T N 3.400 118.163 114.554 0.347 0.000 2.824 414 T HA 0.522 4.872 4.350 0.001 0.000 0.282 414 T C -1.121 173.808 174.700 0.381 0.000 0.993 414 T CA -0.759 61.519 62.100 0.297 0.000 0.967 414 T CB 0.713 69.630 68.868 0.081 0.000 0.960 414 T HN 0.672 nan 8.240 nan 0.000 0.441 415 W N 2.687 124.021 121.300 0.056 0.000 3.025 415 W HA 0.785 5.446 4.660 0.001 0.000 0.343 415 W C -2.628 173.936 176.519 0.074 0.000 1.246 415 W CA -1.301 56.062 57.345 0.029 0.000 1.178 415 W CB 0.800 30.277 29.460 0.029 0.000 1.463 415 W HN 0.505 nan 8.180 nan 0.000 0.578 416 L N 2.161 123.489 121.223 0.176 0.000 2.319 416 L HA 0.756 5.096 4.340 0.001 0.000 0.267 416 L C -0.296 176.680 176.870 0.176 0.000 1.011 416 L CA -1.423 53.440 54.840 0.039 0.000 0.818 416 L CB 2.111 44.150 42.059 -0.034 0.000 1.316 416 L HN 0.676 nan 8.230 nan 0.000 0.432 417 R N 1.027 121.577 120.500 0.083 0.000 2.535 417 R HA 0.785 5.126 4.340 0.001 0.000 0.274 417 R C -1.930 174.267 176.300 -0.172 0.000 1.090 417 R CA -0.286 55.749 56.100 -0.108 0.000 0.930 417 R CB 2.133 32.261 30.300 -0.287 0.000 1.223 417 R HN 0.823 nan 8.270 nan 0.000 0.441 418 A N 2.004 124.701 122.820 -0.206 0.000 2.539 418 A HA 0.873 5.194 4.320 0.001 0.000 0.296 418 A C -1.053 176.479 177.584 -0.088 0.000 1.073 418 A CA -0.340 51.662 52.037 -0.060 0.000 0.700 418 A CB 2.008 20.957 19.000 -0.086 0.000 1.296 418 A HN 0.819 nan 8.150 nan 0.000 0.405 419 G N -1.049 107.797 108.800 0.078 0.000 3.022 419 G HA2 0.915 4.876 3.960 0.001 0.000 0.284 419 G HA3 0.915 4.876 3.960 0.001 0.000 0.284 419 G C -0.768 174.203 174.900 0.118 0.000 1.375 419 G CA -0.089 45.077 45.100 0.110 0.000 0.902 419 G HN 2.026 nan 8.290 nan 0.000 0.538 420 A N -1.465 121.483 122.820 0.213 0.000 2.549 420 A HA 0.787 5.107 4.320 0.001 0.000 0.297 420 A C -0.072 177.614 177.584 0.170 0.000 1.061 420 A CA 0.017 52.168 52.037 0.189 0.000 0.690 420 A CB 1.503 20.653 19.000 0.251 0.000 1.287 420 A HN 1.805 nan 8.150 nan 0.000 0.402 421 G N 1.549 110.424 108.800 0.126 0.000 2.351 421 G HA2 0.499 4.460 3.960 0.001 0.000 0.287 421 G HA3 0.499 4.460 3.960 0.001 0.000 0.287 421 G C -0.198 174.758 174.900 0.094 0.000 1.159 421 G CA -0.173 44.990 45.100 0.106 0.000 0.929 421 G HN 0.482 nan 8.290 nan 0.000 0.435 422 I N 3.992 124.613 120.570 0.085 0.000 2.331 422 I HA 0.409 4.579 4.170 0.001 0.000 0.292 422 I C 0.712 176.849 176.117 0.033 0.000 0.998 422 I CA -0.703 60.632 61.300 0.058 0.000 1.267 422 I CB 0.656 38.685 38.000 0.048 0.000 1.386 422 I HN 0.484 nan 8.210 nan 0.000 0.476 423 I N 1.268 121.830 120.570 -0.013 0.000 3.294 423 I HA 0.506 4.676 4.170 0.001 0.000 0.311 423 I C 1.117 177.176 176.117 -0.096 0.000 1.111 423 I CA -0.844 60.397 61.300 -0.099 0.000 0.976 423 I CB 1.721 39.641 38.000 -0.133 0.000 1.260 423 I HN 0.518 nan 8.210 nan 0.000 0.474 424 E N 0.664 120.776 120.200 -0.146 0.000 2.147 424 E HA -0.243 4.108 4.350 0.001 0.000 0.199 424 E C 1.220 177.786 176.600 -0.057 0.000 1.005 424 E CA 2.209 58.549 56.400 -0.101 0.000 0.810 424 E CB 0.161 29.801 29.700 -0.099 0.000 0.736 424 E HN 0.705 nan 8.360 nan 0.000 0.460 425 E N 0.179 120.354 120.200 -0.042 0.000 2.502 425 E HA 0.092 4.443 4.350 0.001 0.000 0.194 425 E C -0.073 176.523 176.600 -0.006 0.000 1.062 425 E CA -0.026 56.364 56.400 -0.017 0.000 0.867 425 E CB 0.470 30.168 29.700 -0.004 0.000 0.888 425 E HN -0.014 nan 8.360 nan 0.000 0.510 426 S N 1.470 117.165 115.700 -0.008 0.000 2.568 426 S HA 0.064 4.535 4.470 0.001 0.000 0.282 426 S C 0.113 174.719 174.600 0.010 0.000 1.338 426 S CA 0.101 58.307 58.200 0.010 0.000 1.045 426 S CB 0.392 63.600 63.200 0.012 0.000 0.873 426 S HN 0.126 nan 8.310 nan 0.000 0.516 427 E N 2.583 122.800 120.200 0.029 0.000 2.199 427 E HA 0.228 4.579 4.350 0.001 0.000 0.265 427 E C -2.021 174.611 176.600 0.053 0.000 0.882 427 E CA -2.105 54.313 56.400 0.030 0.000 0.759 427 E CB 1.517 31.238 29.700 0.035 0.000 1.148 427 E HN 0.215 nan 8.360 nan 0.000 0.412 428 P HA -0.268 nan 4.420 nan 0.000 0.217 428 P C 0.998 178.387 177.300 0.147 0.000 1.162 428 P CA 1.321 64.452 63.100 0.053 0.000 0.901 428 P CB 0.339 32.041 31.700 0.004 0.000 0.793 429 E N -0.969 119.296 120.200 0.108 0.000 2.110 429 E HA -0.150 4.200 4.350 0.001 0.000 0.193 429 E C 2.100 178.815 176.600 0.192 0.000 0.988 429 E CA 1.003 57.486 56.400 0.138 0.000 0.804 429 E CB -0.465 29.277 29.700 0.069 0.000 0.745 429 E HN 0.200 nan 8.360 nan 0.000 0.458 430 R N 0.894 121.478 120.500 0.141 0.000 2.075 430 R HA -0.059 4.282 4.340 0.001 0.000 0.232 430 R C 2.028 178.426 176.300 0.164 0.000 1.126 430 R CA 0.744 56.920 56.100 0.128 0.000 0.963 430 R CB -0.394 29.957 30.300 0.086 0.000 0.858 430 R HN 0.199 nan 8.270 nan 0.000 0.435 431 E N 0.109 120.435 120.200 0.210 0.000 2.106 431 E HA -0.134 4.216 4.350 0.001 0.000 0.192 431 E C 1.773 178.593 176.600 0.367 0.000 0.984 431 E CA 0.642 57.212 56.400 0.282 0.000 0.806 431 E CB -0.421 29.466 29.700 0.313 0.000 0.750 431 E HN 0.225 nan 8.360 nan 0.000 0.458 432 F N 2.245 122.382 119.950 0.312 0.000 2.134 432 F HA -0.165 4.363 4.527 0.001 0.000 0.299 432 F C 2.273 178.096 175.800 0.040 0.000 1.097 432 F CA 1.406 59.526 58.000 0.200 0.000 1.264 432 F CB 0.157 39.281 39.000 0.207 0.000 1.001 432 F HN -0.068 nan 8.300 nan 0.000 0.479 433 E N 0.375 120.686 120.200 0.185 0.000 2.110 433 E HA -0.235 4.116 4.350 0.001 0.000 0.193 433 E C 2.214 178.788 176.600 -0.044 0.000 0.988 433 E CA 1.068 57.510 56.400 0.070 0.000 0.804 433 E CB -0.329 29.439 29.700 0.114 0.000 0.745 433 E HN 0.434 nan 8.360 nan 0.000 0.458 434 E N 0.137 120.331 120.200 -0.010 0.000 2.085 434 E HA -0.146 4.205 4.350 0.001 0.000 0.194 434 E C 2.074 178.610 176.600 -0.107 0.000 0.994 434 E CA 1.869 58.256 56.400 -0.023 0.000 0.801 434 E CB -0.198 29.526 29.700 0.040 0.000 0.743 434 E HN 0.390 nan 8.360 nan 0.000 0.453 435 T N -1.804 112.609 114.554 -0.235 0.000 2.867 435 T HA -0.105 4.246 4.350 0.001 0.000 0.268 435 T C 2.416 176.916 174.700 -0.334 0.000 1.057 435 T CA 1.215 63.106 62.100 -0.347 0.000 1.136 435 T CB -0.819 67.651 68.868 -0.663 0.000 0.874 435 T HN 0.116 nan 8.240 nan 0.000 0.466 436 C N 2.074 121.152 119.300 -0.370 0.000 2.429 436 C HA 0.124 4.585 4.460 0.001 0.000 0.277 436 C C 3.579 178.480 174.990 -0.149 0.000 1.262 436 C CA 1.099 59.957 59.018 -0.267 0.000 1.733 436 C CB -1.440 26.175 27.740 -0.209 0.000 2.010 436 C HN 0.844 nan 8.230 nan 0.000 0.483 437 E N 1.160 121.293 120.200 -0.112 0.000 2.058 437 E HA -0.275 4.076 4.350 0.001 0.000 0.194 437 E C 1.847 178.411 176.600 -0.060 0.000 0.997 437 E CA 1.751 58.110 56.400 -0.069 0.000 0.801 437 E CB -0.606 29.067 29.700 -0.043 0.000 0.746 437 E HN 0.775 nan 8.360 nan 0.000 0.450 438 K N -0.387 119.976 120.400 -0.061 0.000 2.057 438 K HA 0.075 4.396 4.320 0.001 0.000 0.206 438 K C 2.405 178.985 176.600 -0.033 0.000 1.050 438 K CA 1.243 57.514 56.287 -0.026 0.000 0.935 438 K CB -0.221 32.270 32.500 -0.014 0.000 0.715 438 K HN 0.310 nan 8.250 nan 0.000 0.439 439 L N 0.719 121.895 121.223 -0.079 0.000 2.083 439 L HA -0.140 4.201 4.340 0.001 0.000 0.209 439 L C 1.957 178.781 176.870 -0.077 0.000 1.083 439 L CA 0.926 55.719 54.840 -0.080 0.000 0.752 439 L CB -0.249 41.738 42.059 -0.120 0.000 0.899 439 L HN 0.045 nan 8.230 nan 0.000 0.433 440 S N -1.027 114.621 115.700 -0.087 0.000 2.603 440 S HA -0.077 4.394 4.470 0.001 0.000 0.229 440 S C 1.652 176.181 174.600 -0.118 0.000 0.972 440 S CA 1.191 59.328 58.200 -0.106 0.000 0.935 440 S CB -0.399 62.743 63.200 -0.096 0.000 0.769 440 S HN 0.610 nan 8.310 nan 0.000 0.536 441 T N -1.802 112.717 114.554 -0.059 0.000 3.105 441 T HA 0.346 4.697 4.350 0.001 0.000 0.253 441 T C 0.966 175.712 174.700 0.077 0.000 1.047 441 T CA -0.158 61.940 62.100 -0.004 0.000 0.944 441 T CB 0.123 69.028 68.868 0.061 0.000 1.016 441 T HN 0.238 nan 8.240 nan 0.000 0.544 442 L N 1.169 122.387 121.223 -0.009 0.000 2.815 442 L HA 0.280 4.621 4.340 0.001 0.000 0.241 442 L C 2.360 179.178 176.870 -0.087 0.000 1.047 442 L CA 1.365 56.257 54.840 0.086 0.000 0.939 442 L CB -0.289 41.816 42.059 0.078 0.000 1.490 442 L HN 0.319 nan 8.230 nan 0.000 0.510 443 T N -2.099 112.371 114.554 -0.140 0.000 2.778 443 T HA -0.080 4.271 4.350 0.001 0.000 0.269 443 T C -0.635 173.935 174.700 -0.217 0.000 1.050 443 T CA 1.408 63.426 62.100 -0.136 0.000 1.137 443 T CB -1.707 67.099 68.868 -0.105 0.000 0.860 443 T HN 0.207 nan 8.240 nan 0.000 0.468 444 P HA 0.031 nan 4.420 nan 0.000 0.230 444 P C 0.109 177.124 177.300 -0.474 0.000 1.158 444 P CA 0.708 63.484 63.100 -0.539 0.000 0.769 444 P CB -0.225 31.011 31.700 -0.773 0.000 0.807 445 Y N -1.994 118.289 120.300 -0.027 0.000 2.481 445 Y HA 0.256 4.806 4.550 0.001 0.000 0.247 445 Y C 0.836 176.736 175.900 0.000 0.000 1.151 445 Y CA -0.876 57.218 58.100 -0.009 0.000 1.238 445 Y CB -0.735 37.737 38.460 0.020 0.000 1.179 445 Y HN -0.192 nan 8.280 nan 0.000 0.524 446 L N 1.784 123.062 121.223 0.092 0.000 2.433 446 L HA 0.183 4.523 4.340 0.001 0.000 0.275 446 L C -0.308 176.631 176.870 0.114 0.000 1.128 446 L CA -0.325 54.569 54.840 0.091 0.000 0.875 446 L CB 0.246 42.379 42.059 0.124 0.000 1.171 446 L HN -0.134 nan 8.230 nan 0.000 0.463 447 V N 3.766 123.731 119.914 0.085 0.000 2.370 447 V HA 0.407 4.528 4.120 0.001 0.000 0.279 447 V C 0.773 176.927 176.094 0.101 0.000 1.029 447 V CA -0.638 61.700 62.300 0.063 0.000 0.870 447 V CB 1.316 33.169 31.823 0.050 0.000 0.984 447 V HN 0.886 nan 8.190 nan 0.000 0.451 448 A N 6.609 129.453 122.820 0.039 0.000 2.425 448 A HA 0.691 5.011 4.320 0.001 0.000 0.242 448 A C 0.627 178.265 177.584 0.090 0.000 1.077 448 A CA 0.432 52.510 52.037 0.068 0.000 0.781 448 A CB 0.090 18.913 19.000 -0.295 0.000 1.020 448 A HN 1.395 nan 8.150 nan 0.000 0.494 449 R N 0.000 120.598 120.500 0.163 0.000 2.786 449 R HA 0.000 4.341 4.340 0.001 0.000 0.208 449 R CA 0.000 56.179 56.100 0.131 0.000 0.921 449 R CB 0.000 30.346 30.300 0.076 0.000 0.687 449 R HN 0.000 nan 8.270 nan 0.000 0.535