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 2w8b_1_B DATA FIRST_RESID 22 DATA SEQUENCE EVRIVIDSGV DSGRPIGVVP FQWAGPGAAP EDIGGIVAAD LRNSGKFNPL DATA SEQUENCE DRARLPQQPG SAQEVQPAAW SALGIDAVVV GQVTPNPDGS YNVAYQLVDT DATA SEQUENCE GGAPGTVLAQ NSYKVNKQWL RYAGHTASDE VFEKLTGIKG AFRTRIAYVV DATA SEQUENCE QTNGGQFPYE LRVSDYDGYN QFVVHRSPQP LMSPAWSPDG SKLAYVTFES DATA SEQUENCE GRSALVIQTL ANGAVRQVAS FPRHNGAPAF SPDGSKLAFA LSKTGSLNLY DATA SEQUENCE VMDLASGQIR QVTDGRSNNT EPTWFPDSQN LAFTSDQAGR PQVYKVNING DATA SEQUENCE GAPQRITWEG SQNQDADVSS DGKFMVMVSS NGGQQHIAKQ DLATGGVQVL DATA SEQUENCE SSTFLDETPS LAPNGTMVIY SSSQGMGSVL NLVSTDGRFK ARLPATDGQV DATA SEQUENCE KFPAWSPYL 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 22 E HA 0.000 nan 4.350 nan 0.000 0.291 22 E C 0.000 176.508 176.600 -0.153 0.000 1.382 22 E CA 0.000 56.337 56.400 -0.106 0.000 0.976 22 E CB 0.000 29.660 29.700 -0.066 0.000 0.812 23 V N 1.147 120.964 119.914 -0.162 0.000 2.843 23 V HA 0.657 4.774 4.120 -0.004 0.000 0.305 23 V C 0.000 175.952 176.094 -0.236 0.000 1.065 23 V CA -0.393 61.782 62.300 -0.208 0.000 1.116 23 V CB 0.717 32.371 31.823 -0.283 0.000 0.968 23 V HN 0.304 nan 8.190 nan 0.000 0.487 24 R N 3.174 123.553 120.500 -0.202 0.000 2.808 24 R HA 0.610 4.948 4.340 -0.004 0.000 0.272 24 R C -0.822 175.407 176.300 -0.118 0.000 0.995 24 R CA -0.992 54.998 56.100 -0.183 0.000 0.917 24 R CB 2.109 32.310 30.300 -0.165 0.000 1.217 24 R HN 0.813 nan 8.270 nan 0.000 0.471 25 I N 1.466 121.994 120.570 -0.071 0.000 2.474 25 I HA 0.200 4.368 4.170 -0.004 0.000 0.287 25 I C -0.067 176.053 176.117 0.004 0.000 1.048 25 I CA -0.534 60.757 61.300 -0.016 0.000 1.383 25 I CB 1.218 39.247 38.000 0.048 0.000 1.412 25 I HN 0.016 nan 8.210 nan 0.000 0.531 26 V N 7.680 127.592 119.914 -0.004 0.000 2.443 26 V HA 0.378 4.496 4.120 -0.004 0.000 0.293 26 V C 0.103 176.189 176.094 -0.014 0.000 1.021 26 V CA -0.546 61.751 62.300 -0.005 0.000 0.848 26 V CB 1.734 33.539 31.823 -0.030 0.000 0.998 26 V HN 0.455 nan 8.190 nan 0.000 0.424 27 I N 4.043 124.616 120.570 0.005 0.000 2.474 27 I HA 0.260 4.427 4.170 -0.004 0.000 0.287 27 I C 0.674 176.736 176.117 -0.092 0.000 1.048 27 I CA 0.116 61.375 61.300 -0.069 0.000 1.383 27 I CB 0.932 38.952 38.000 0.034 0.000 1.412 27 I HN 0.617 nan 8.210 nan 0.000 0.531 28 D N 2.435 122.737 120.400 -0.163 0.000 2.597 28 D HA 0.087 4.725 4.640 -0.004 0.000 0.261 28 D C 0.470 176.710 176.300 -0.100 0.000 1.023 28 D CA 0.710 54.646 54.000 -0.106 0.000 0.927 28 D CB 0.654 41.394 40.800 -0.099 0.000 1.168 28 D HN 0.628 nan 8.370 nan 0.000 0.491 29 S N -2.621 112.981 115.700 -0.164 0.000 2.661 29 S HA 0.507 4.974 4.470 -0.004 0.000 0.268 29 S C 0.803 175.320 174.600 -0.138 0.000 1.162 29 S CA 0.113 58.253 58.200 -0.099 0.000 0.817 29 S CB 1.877 65.046 63.200 -0.052 0.000 1.141 29 S HN 0.278 nan 8.310 nan 0.000 0.477 30 G N -0.586 108.225 108.800 0.019 0.000 2.268 30 G HA2 -0.196 3.761 3.960 -0.004 0.000 0.240 30 G HA3 -0.196 3.761 3.960 -0.004 0.000 0.240 30 G C 0.300 175.311 174.900 0.186 0.000 1.010 30 G CA 0.135 45.347 45.100 0.186 0.000 0.618 30 G HN 1.879 nan 8.290 nan 0.000 0.516 31 V N 1.807 121.782 119.914 0.102 0.000 2.461 31 V HA 0.637 4.754 4.120 -0.004 0.000 0.275 31 V C -0.774 175.360 176.094 0.067 0.000 1.047 31 V CA -0.337 62.020 62.300 0.096 0.000 0.955 31 V CB 1.472 33.328 31.823 0.056 0.000 0.988 31 V HN 0.250 nan 8.190 nan 0.000 0.471 32 D N 4.083 124.526 120.400 0.072 0.000 2.575 32 D HA 0.763 5.401 4.640 -0.004 0.000 0.236 32 D C -0.479 175.869 176.300 0.080 0.000 1.075 32 D CA -0.085 53.971 54.000 0.095 0.000 0.860 32 D CB 2.392 43.244 40.800 0.087 0.000 1.475 32 D HN 0.674 nan 8.370 nan 0.000 0.474 33 S N -1.012 114.740 115.700 0.086 0.000 2.930 33 S HA 0.724 5.192 4.470 -0.004 0.000 0.306 33 S C 0.244 174.893 174.600 0.082 0.000 1.238 33 S CA -0.219 58.049 58.200 0.114 0.000 1.000 33 S CB 1.070 64.354 63.200 0.140 0.000 1.342 33 S HN 0.440 nan 8.310 nan 0.000 0.575 34 G N 0.561 109.403 108.800 0.070 0.000 3.434 34 G HA2 0.388 4.345 3.960 -0.004 0.000 0.192 34 G HA3 0.388 4.345 3.960 -0.004 0.000 0.192 34 G C -0.277 174.603 174.900 -0.033 0.000 1.704 34 G CA -0.341 44.758 45.100 -0.002 0.000 0.936 34 G HN 0.664 nan 8.290 nan 0.000 0.623 35 R N 1.668 122.071 120.500 -0.162 0.000 2.421 35 R HA 0.183 4.521 4.340 -0.004 0.000 0.305 35 R C -2.423 173.912 176.300 0.058 0.000 1.039 35 R CA -0.898 55.115 56.100 -0.144 0.000 1.003 35 R CB 0.346 30.404 30.300 -0.404 0.000 0.959 35 R HN 0.068 nan 8.270 nan 0.000 0.427 36 P HA 0.146 nan 4.420 nan 0.000 0.275 36 P C -0.802 176.626 177.300 0.213 0.000 1.227 36 P CA -0.030 63.165 63.100 0.159 0.000 0.781 36 P CB 0.799 32.576 31.700 0.129 0.000 0.906 37 I N 1.225 121.934 120.570 0.231 0.000 2.827 37 I HA 0.614 4.782 4.170 -0.004 0.000 0.298 37 I C -0.613 175.586 176.117 0.138 0.000 1.235 37 I CA -0.752 60.659 61.300 0.185 0.000 1.021 37 I CB 2.054 40.185 38.000 0.218 0.000 1.259 37 I HN 0.399 nan 8.210 nan 0.000 0.427 38 G N 5.997 114.811 108.800 0.024 0.000 2.322 38 G HA2 0.578 4.535 3.960 -0.004 0.000 0.309 38 G HA3 0.578 4.535 3.960 -0.004 0.000 0.309 38 G C -1.337 173.502 174.900 -0.102 0.000 1.121 38 G CA -0.327 44.764 45.100 -0.015 0.000 0.886 38 G HN 0.399 nan 8.290 nan 0.000 0.447 39 V N 3.333 123.269 119.914 0.036 0.000 2.444 39 V HA 0.361 4.479 4.120 -0.004 0.000 0.294 39 V C -0.092 176.076 176.094 0.122 0.000 1.022 39 V CA -0.683 61.643 62.300 0.043 0.000 0.850 39 V CB 1.569 33.408 31.823 0.027 0.000 0.992 39 V HN 0.552 nan 8.190 nan 0.000 0.426 40 V N 6.852 126.858 119.914 0.154 0.000 2.532 40 V HA 0.432 4.549 4.120 -0.004 0.000 0.295 40 V C -2.236 174.024 176.094 0.277 0.000 1.041 40 V CA -2.265 60.158 62.300 0.205 0.000 0.926 40 V CB 1.951 33.881 31.823 0.178 0.000 0.992 40 V HN 0.705 nan 8.190 nan 0.000 0.457 41 P HA 0.053 nan 4.420 nan 0.000 0.264 41 P C -0.452 177.080 177.300 0.388 0.000 1.183 41 P CA 0.337 63.573 63.100 0.227 0.000 0.763 41 P CB 0.158 31.945 31.700 0.145 0.000 0.807 42 F N 1.170 121.151 119.950 0.052 0.000 2.418 42 F HA 0.078 4.603 4.527 -0.004 0.000 0.341 42 F C 1.713 177.582 175.800 0.114 0.000 1.120 42 F CA -0.799 57.246 58.000 0.076 0.000 1.232 42 F CB 0.521 39.565 39.000 0.074 0.000 1.175 42 F HN 0.183 nan 8.300 nan 0.000 0.569 43 Q N 2.787 122.728 119.800 0.235 0.000 2.364 43 Q HA -0.042 4.295 4.340 -0.004 0.000 0.267 43 Q C -0.679 175.519 176.000 0.332 0.000 0.999 43 Q CA 0.319 56.246 55.803 0.208 0.000 0.886 43 Q CB 1.439 30.238 28.738 0.102 0.000 1.243 43 Q HN 0.687 nan 8.270 nan 0.000 0.415 44 W N 1.684 123.037 121.300 0.089 0.000 2.475 44 W HA 0.513 5.171 4.660 -0.003 0.000 0.320 44 W C -1.165 175.398 176.519 0.075 0.000 1.022 44 W CA -0.928 56.471 57.345 0.090 0.000 1.240 44 W CB 1.078 30.583 29.460 0.076 0.000 1.328 44 W HN 0.668 nan 8.180 nan 0.000 0.439 45 A N 5.143 127.715 122.820 -0.414 0.000 3.077 45 A HA 0.563 4.880 4.320 -0.004 0.000 0.255 45 A C 0.255 177.191 177.584 -1.080 0.000 1.728 45 A CA 0.617 52.306 52.037 -0.580 0.000 1.383 45 A CB -0.821 18.012 19.000 -0.279 0.000 1.097 45 A HN 0.864 nan 8.150 nan 0.000 0.634 46 G N 0.476 108.455 108.800 -1.367 0.000 2.430 46 G HA2 0.597 4.554 3.960 -0.004 0.000 0.300 46 G HA3 0.597 4.554 3.960 -0.004 0.000 0.300 46 G C -3.370 171.249 174.900 -0.468 0.000 1.330 46 G CA -0.616 43.944 45.100 -0.900 0.000 0.813 46 G HN 0.193 nan 8.290 nan 0.000 0.487 47 P HA 0.550 nan 4.420 nan 0.000 0.279 47 P C 1.007 178.494 177.300 0.311 0.000 1.276 47 P CA 1.038 64.195 63.100 0.095 0.000 0.801 47 P CB 0.781 32.524 31.700 0.072 0.000 1.127 48 G N -0.213 108.724 108.800 0.229 0.000 2.591 48 G HA2 0.010 3.968 3.960 -0.004 0.000 0.278 48 G HA3 0.010 3.968 3.960 -0.004 0.000 0.278 48 G C -0.123 174.968 174.900 0.318 0.000 1.293 48 G CA 0.077 45.312 45.100 0.226 0.000 0.930 48 G HN 0.809 nan 8.290 nan 0.000 0.562 49 A N -0.602 122.301 122.820 0.138 0.000 2.306 49 A HA 0.968 5.286 4.320 -0.004 0.000 0.330 49 A C 0.915 178.187 177.584 -0.521 0.000 1.146 49 A CA 0.886 52.896 52.037 -0.045 0.000 0.827 49 A CB 0.867 19.823 19.000 -0.073 0.000 1.178 49 A HN 2.615 nan 8.150 nan 0.000 0.490 50 A N 2.097 124.372 122.820 -0.909 0.000 2.586 50 A HA 0.358 4.675 4.320 -0.004 0.000 0.231 50 A C -0.878 176.188 177.584 -0.864 0.000 1.055 50 A CA 0.008 51.225 52.037 -1.366 0.000 0.756 50 A CB -0.396 18.205 19.000 -0.665 0.000 0.988 50 A HN 0.671 nan 8.150 nan 0.000 0.509 51 P HA -0.009 nan 4.420 nan 0.000 0.223 51 P C 0.223 177.255 177.300 -0.446 0.000 1.151 51 P CA 1.453 64.198 63.100 -0.590 0.000 0.787 51 P CB 0.272 31.535 31.700 -0.728 0.000 0.788 52 E N -0.610 119.311 120.200 -0.465 0.000 2.412 52 E HA 0.313 4.660 4.350 -0.004 0.000 0.279 52 E C -1.812 174.589 176.600 -0.331 0.000 0.984 52 E CA -0.777 55.414 56.400 -0.348 0.000 0.788 52 E CB 0.914 30.414 29.700 -0.333 0.000 1.277 52 E HN -0.340 nan 8.360 nan 0.000 0.455 53 D N 4.089 124.315 120.400 -0.290 0.000 2.499 53 D HA 0.176 4.814 4.640 -0.004 0.000 0.225 53 D C 0.818 176.899 176.300 -0.365 0.000 1.124 53 D CA -0.308 53.529 54.000 -0.271 0.000 0.938 53 D CB 0.072 40.755 40.800 -0.196 0.000 1.014 53 D HN 0.442 nan 8.370 nan 0.000 0.517 54 I N 2.315 122.595 120.570 -0.483 0.000 2.208 54 I HA -0.127 4.041 4.170 -0.004 0.000 0.245 54 I C 2.266 177.864 176.117 -0.864 0.000 1.097 54 I CA 1.110 61.989 61.300 -0.702 0.000 1.363 54 I CB -1.296 36.182 38.000 -0.871 0.000 1.051 54 I HN 0.461 nan 8.210 nan 0.000 0.413 55 G N 0.531 108.796 108.800 -0.892 0.000 2.422 55 G HA2 -0.131 3.826 3.960 -0.004 0.000 0.218 55 G HA3 -0.131 3.826 3.960 -0.004 0.000 0.218 55 G C 1.756 176.501 174.900 -0.259 0.000 1.140 55 G CA 0.761 45.571 45.100 -0.484 0.000 0.775 55 G HN 0.477 nan 8.290 nan 0.000 0.545 56 G N 1.166 109.821 108.800 -0.242 0.000 2.418 56 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.217 56 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.217 56 G C 1.742 176.521 174.900 -0.202 0.000 1.158 56 G CA 0.808 45.806 45.100 -0.171 0.000 0.771 56 G HN 0.445 nan 8.290 nan 0.000 0.545 57 I N 0.330 120.723 120.570 -0.295 0.000 2.252 57 I HA -0.142 4.026 4.170 -0.004 0.000 0.245 57 I C 2.765 178.710 176.117 -0.288 0.000 1.102 57 I CA 0.477 61.587 61.300 -0.316 0.000 1.385 57 I CB -0.309 37.418 38.000 -0.455 0.000 1.064 57 I HN 0.024 nan 8.210 nan 0.000 0.414 58 V N 1.201 120.929 119.914 -0.310 0.000 2.295 58 V HA -0.296 3.822 4.120 -0.004 0.000 0.246 58 V C 2.755 178.702 176.094 -0.245 0.000 1.049 58 V CA 2.062 64.187 62.300 -0.291 0.000 1.024 58 V CB -1.046 30.641 31.823 -0.226 0.000 0.648 58 V HN 0.492 nan 8.190 nan 0.000 0.447 59 A N -0.063 122.660 122.820 -0.162 0.000 1.902 59 A HA -0.105 4.212 4.320 -0.004 0.000 0.217 59 A C 2.420 179.960 177.584 -0.073 0.000 1.181 59 A CA 2.126 54.109 52.037 -0.091 0.000 0.623 59 A CB -0.778 18.204 19.000 -0.031 0.000 0.818 59 A HN 0.569 nan 8.150 nan 0.000 0.443 60 A N -0.017 122.755 122.820 -0.080 0.000 1.873 60 A HA -0.169 4.149 4.320 -0.004 0.000 0.215 60 A C 1.809 179.371 177.584 -0.038 0.000 1.186 60 A CA 1.867 53.892 52.037 -0.020 0.000 0.616 60 A CB -0.634 18.362 19.000 -0.008 0.000 0.823 60 A HN 0.446 nan 8.150 nan 0.000 0.442 61 D N 0.243 120.518 120.400 -0.208 0.000 2.106 61 D HA -0.160 4.478 4.640 -0.004 0.000 0.191 61 D C 1.978 177.993 176.300 -0.475 0.000 0.997 61 D CA 1.345 55.004 54.000 -0.569 0.000 0.834 61 D CB -0.441 39.522 40.800 -1.394 0.000 0.956 61 D HN 0.444 nan 8.370 nan 0.000 0.448 62 L N 0.192 121.199 121.223 -0.361 0.000 2.046 62 L HA -0.144 4.194 4.340 -0.004 0.000 0.208 62 L C 2.674 179.655 176.870 0.185 0.000 1.077 62 L CA 1.012 55.830 54.840 -0.038 0.000 0.747 62 L CB -0.361 41.565 42.059 -0.222 0.000 0.896 62 L HN -0.003 nan 8.230 nan 0.000 0.432 63 R N 0.432 121.009 120.500 0.128 0.000 2.081 63 R HA -0.160 4.178 4.340 -0.004 0.000 0.235 63 R C 2.059 178.448 176.300 0.148 0.000 1.131 63 R CA 1.642 57.857 56.100 0.191 0.000 0.960 63 R CB -0.105 30.304 30.300 0.182 0.000 0.856 63 R HN 0.383 nan 8.270 nan 0.000 0.436 64 N N 0.370 119.158 118.700 0.147 0.000 2.348 64 N HA -0.143 4.595 4.740 -0.004 0.000 0.185 64 N C 1.617 176.960 175.510 -0.278 0.000 1.019 64 N CA 1.596 54.713 53.050 0.111 0.000 0.880 64 N CB -0.217 38.501 38.487 0.384 0.000 0.965 64 N HN 0.350 nan 8.380 nan 0.000 0.437 65 S N -0.911 114.767 115.700 -0.038 0.000 2.481 65 S HA 0.083 4.551 4.470 -0.004 0.000 0.231 65 S C 1.675 176.116 174.600 -0.264 0.000 0.996 65 S CA 0.930 59.090 58.200 -0.066 0.000 0.942 65 S CB -0.227 63.152 63.200 0.298 0.000 0.768 65 S HN 0.436 nan 8.310 nan 0.000 0.520 66 G N 1.617 110.152 108.800 -0.441 0.000 2.234 66 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.260 66 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.260 66 G C 0.835 175.757 174.900 0.038 0.000 0.987 66 G CA 0.612 45.570 45.100 -0.237 0.000 0.625 66 G HN 0.582 nan 8.290 nan 0.000 0.532 67 K N -1.001 119.464 120.400 0.109 0.000 2.379 67 K HA 0.410 4.727 4.320 -0.004 0.000 0.194 67 K C -0.005 176.410 176.600 -0.309 0.000 1.031 67 K CA 0.285 56.540 56.287 -0.054 0.000 1.037 67 K CB 0.387 32.872 32.500 -0.024 0.000 0.824 67 K HN 0.353 nan 8.250 nan 0.000 0.516 68 F N 0.092 120.111 119.950 0.115 0.000 2.588 68 F HA 0.288 4.812 4.527 -0.004 0.000 0.314 68 F C -0.221 175.641 175.800 0.102 0.000 1.069 68 F CA -1.366 56.696 58.000 0.103 0.000 0.931 68 F CB 1.467 40.536 39.000 0.115 0.000 1.260 68 F HN -0.234 nan 8.300 nan 0.000 0.465 69 N N 2.941 121.808 118.700 0.279 0.000 2.682 69 N HA 0.432 5.170 4.740 -0.004 0.000 0.252 69 N C -3.169 172.464 175.510 0.205 0.000 1.081 69 N CA -2.378 50.795 53.050 0.205 0.000 0.844 69 N CB 1.231 39.804 38.487 0.144 0.000 1.167 69 N HN 0.051 nan 8.380 nan 0.000 0.523 70 P HA 0.131 nan 4.420 nan 0.000 0.280 70 P C -0.202 177.186 177.300 0.146 0.000 1.244 70 P CA -0.623 62.570 63.100 0.156 0.000 0.784 70 P CB 0.758 32.521 31.700 0.106 0.000 0.913 71 L N 3.397 124.723 121.223 0.172 0.000 2.499 71 L HA 0.054 4.392 4.340 -0.004 0.000 0.273 71 L C 0.541 177.491 176.870 0.133 0.000 1.195 71 L CA 0.371 55.311 54.840 0.166 0.000 0.882 71 L CB -0.643 41.556 42.059 0.232 0.000 1.133 71 L HN 0.345 nan 8.230 nan 0.000 0.483 72 D N 3.635 124.096 120.400 0.101 0.000 2.658 72 D HA -0.133 4.504 4.640 -0.004 0.000 0.230 72 D C 1.247 177.595 176.300 0.080 0.000 1.118 72 D CA 0.448 54.495 54.000 0.078 0.000 0.848 72 D CB 0.577 41.413 40.800 0.060 0.000 1.160 72 D HN 0.622 nan 8.370 nan 0.000 0.497 73 R N 3.305 123.848 120.500 0.073 0.000 2.139 73 R HA -0.203 4.135 4.340 -0.004 0.000 0.243 73 R C 1.753 178.089 176.300 0.060 0.000 1.145 73 R CA 1.681 57.827 56.100 0.076 0.000 0.976 73 R CB -0.108 30.229 30.300 0.061 0.000 0.866 73 R HN 0.490 nan 8.270 nan 0.000 0.449 74 A N 0.072 122.918 122.820 0.044 0.000 2.172 74 A HA -0.055 4.263 4.320 -0.004 0.000 0.216 74 A C 1.825 179.420 177.584 0.019 0.000 1.154 74 A CA 0.864 52.919 52.037 0.030 0.000 0.701 74 A CB -0.134 18.881 19.000 0.025 0.000 0.789 74 A HN 0.287 nan 8.150 nan 0.000 0.465 75 R N -0.882 119.632 120.500 0.022 0.000 2.472 75 R HA 0.333 4.670 4.340 -0.004 0.000 0.279 75 R C -0.541 175.738 176.300 -0.036 0.000 0.953 75 R CA -0.312 55.787 56.100 -0.002 0.000 1.088 75 R CB 0.063 30.369 30.300 0.011 0.000 1.197 75 R HN 0.402 nan 8.270 nan 0.000 0.536 76 L N 2.750 123.967 121.223 -0.011 0.000 2.490 76 L HA 0.059 4.396 4.340 -0.004 0.000 0.274 76 L C -1.060 175.676 176.870 -0.223 0.000 1.201 76 L CA -0.920 53.878 54.840 -0.070 0.000 0.869 76 L CB 0.452 42.569 42.059 0.097 0.000 1.123 76 L HN -0.046 nan 8.230 nan 0.000 0.484 77 P HA -0.074 nan 4.420 nan 0.000 0.231 77 P C -0.427 176.707 177.300 -0.276 0.000 1.168 77 P CA 0.819 63.668 63.100 -0.418 0.000 0.779 77 P CB 0.465 31.789 31.700 -0.627 0.000 0.844 78 Q N -2.180 117.495 119.800 -0.208 0.000 2.630 78 Q HA 0.413 4.750 4.340 -0.004 0.000 0.295 78 Q C -0.948 175.136 176.000 0.140 0.000 0.944 78 Q CA -0.878 54.923 55.803 -0.004 0.000 0.766 78 Q CB 0.770 29.528 28.738 0.034 0.000 1.471 78 Q HN -0.220 nan 8.270 nan 0.000 0.416 79 Q N 1.177 121.060 119.800 0.138 0.000 2.769 79 Q HA 0.308 4.646 4.340 -0.004 0.000 0.375 79 Q C -2.228 173.862 176.000 0.151 0.000 0.996 79 Q CA -1.650 54.255 55.803 0.170 0.000 1.042 79 Q CB 1.066 29.879 28.738 0.125 0.000 1.329 79 Q HN 0.474 nan 8.270 nan 0.000 0.427 80 P HA 0.008 nan 4.420 nan 0.000 0.269 80 P C 0.440 177.779 177.300 0.065 0.000 1.209 80 P CA 0.228 63.397 63.100 0.115 0.000 0.776 80 P CB 1.103 32.882 31.700 0.132 0.000 0.876 81 G N 0.181 109.000 108.800 0.032 0.000 3.393 81 G HA2 0.315 4.273 3.960 -0.004 0.000 0.255 81 G HA3 0.315 4.273 3.960 -0.004 0.000 0.255 81 G C 0.108 174.979 174.900 -0.047 0.000 1.097 81 G CA 0.167 45.267 45.100 -0.001 0.000 0.780 81 G HN 0.788 nan 8.290 nan 0.000 0.540 82 S N -2.471 113.203 115.700 -0.044 0.000 2.611 82 S HA 0.620 5.088 4.470 -0.004 0.000 0.268 82 S C 0.860 175.426 174.600 -0.055 0.000 1.156 82 S CA 0.327 58.487 58.200 -0.067 0.000 0.817 82 S CB 1.076 64.246 63.200 -0.050 0.000 1.122 82 S HN 0.592 nan 8.310 nan 0.000 0.466 83 A N 0.629 123.407 122.820 -0.069 0.000 1.930 83 A HA 0.015 4.333 4.320 -0.004 0.000 0.217 83 A C 1.913 179.480 177.584 -0.029 0.000 1.175 83 A CA 1.763 53.765 52.037 -0.060 0.000 0.627 83 A CB -1.148 17.809 19.000 -0.071 0.000 0.815 83 A HN 0.785 nan 8.150 nan 0.000 0.443 84 Q N 0.143 119.928 119.800 -0.024 0.000 2.226 84 Q HA -0.110 4.227 4.340 -0.004 0.000 0.204 84 Q C 1.554 177.561 176.000 0.011 0.000 0.975 84 Q CA 1.614 57.413 55.803 -0.008 0.000 0.866 84 Q CB -0.251 28.480 28.738 -0.012 0.000 0.915 84 Q HN 0.792 nan 8.270 nan 0.000 0.440 85 E N -0.418 119.791 120.200 0.016 0.000 2.435 85 E HA 0.034 4.382 4.350 -0.004 0.000 0.195 85 E C -0.359 176.288 176.600 0.079 0.000 1.029 85 E CA -0.147 56.277 56.400 0.041 0.000 0.865 85 E CB 0.503 30.226 29.700 0.039 0.000 0.833 85 E HN 0.046 nan 8.360 nan 0.000 0.510 86 V N 2.264 122.222 119.914 0.074 0.000 2.585 86 V HA -0.057 4.061 4.120 -0.004 0.000 0.296 86 V C 0.302 176.491 176.094 0.159 0.000 1.035 86 V CA 0.548 62.929 62.300 0.136 0.000 1.084 86 V CB 1.050 32.894 31.823 0.035 0.000 0.953 86 V HN 0.165 nan 8.190 nan 0.000 0.483 87 Q N 6.222 126.175 119.800 0.256 0.000 2.509 87 Q HA 0.233 4.571 4.340 -0.004 0.000 0.236 87 Q C -1.774 174.394 176.000 0.280 0.000 1.073 87 Q CA -1.711 54.206 55.803 0.191 0.000 0.867 87 Q CB 1.441 30.253 28.738 0.123 0.000 1.181 87 Q HN 0.530 nan 8.270 nan 0.000 0.526 88 P HA -0.249 nan 4.420 nan 0.000 0.216 88 P C 1.038 178.472 177.300 0.224 0.000 1.153 88 P CA 1.411 64.651 63.100 0.233 0.000 0.858 88 P CB 0.307 32.079 31.700 0.121 0.000 0.789 89 A N 0.063 122.963 122.820 0.133 0.000 1.940 89 A HA -0.176 4.141 4.320 -0.004 0.000 0.219 89 A C 2.314 179.932 177.584 0.056 0.000 1.176 89 A CA 2.126 54.213 52.037 0.083 0.000 0.631 89 A CB -1.625 17.402 19.000 0.046 0.000 0.814 89 A HN 0.214 nan 8.150 nan 0.000 0.446 90 A N -1.823 121.007 122.820 0.016 0.000 2.019 90 A HA -0.110 4.208 4.320 -0.004 0.000 0.219 90 A C 1.865 179.313 177.584 -0.227 0.000 1.164 90 A CA 1.395 53.331 52.037 -0.168 0.000 0.644 90 A CB -0.669 18.128 19.000 -0.339 0.000 0.805 90 A HN 0.781 nan 8.150 nan 0.000 0.449 91 W N -1.473 119.842 121.300 0.026 0.000 2.640 91 W HA 0.119 4.777 4.660 -0.004 0.000 0.271 91 W C 2.858 179.396 176.519 0.032 0.000 1.218 91 W CA 0.588 57.953 57.345 0.032 0.000 1.382 91 W CB -0.459 29.022 29.460 0.036 0.000 1.067 91 W HN 0.238 nan 8.180 nan 0.000 0.590 92 S N 1.058 116.907 115.700 0.247 0.000 2.359 92 S HA -0.237 4.230 4.470 -0.004 0.000 0.224 92 S C 2.101 176.758 174.600 0.095 0.000 1.035 92 S CA 1.969 60.258 58.200 0.148 0.000 1.018 92 S CB -0.731 62.539 63.200 0.116 0.000 0.876 92 S HN 0.141 nan 8.310 nan 0.000 0.448 93 A N 0.894 123.752 122.820 0.064 0.000 2.042 93 A HA -0.046 4.272 4.320 -0.004 0.000 0.222 93 A C 1.890 179.490 177.584 0.028 0.000 1.167 93 A CA 1.603 53.658 52.037 0.029 0.000 0.649 93 A CB -0.671 18.327 19.000 -0.003 0.000 0.809 93 A HN 0.635 nan 8.150 nan 0.000 0.457 94 L N -1.786 119.466 121.223 0.047 0.000 2.700 94 L HA 0.312 4.650 4.340 -0.004 0.000 0.234 94 L C 1.485 178.408 176.870 0.089 0.000 1.156 94 L CA 0.368 55.241 54.840 0.055 0.000 0.946 94 L CB -0.117 41.970 42.059 0.046 0.000 1.216 94 L HN 0.532 nan 8.230 nan 0.000 0.493 95 G N 1.016 109.872 108.800 0.093 0.000 2.143 95 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.249 95 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.249 95 G C 0.102 175.071 174.900 0.115 0.000 0.981 95 G CA -0.233 44.920 45.100 0.088 0.000 0.665 95 G HN 0.296 nan 8.290 nan 0.000 0.528 96 I N 1.694 122.364 120.570 0.166 0.000 2.321 96 I HA 0.325 4.493 4.170 -0.004 0.000 0.291 96 I C 0.738 176.950 176.117 0.158 0.000 0.998 96 I CA -0.353 61.064 61.300 0.195 0.000 1.227 96 I CB 1.388 39.581 38.000 0.322 0.000 1.368 96 I HN 0.217 nan 8.210 nan 0.000 0.466 97 D N 5.014 125.477 120.400 0.104 0.000 2.398 97 D HA 0.280 4.917 4.640 -0.004 0.000 0.210 97 D C -0.035 176.282 176.300 0.028 0.000 1.094 97 D CA -0.070 53.971 54.000 0.069 0.000 0.839 97 D CB 0.747 41.581 40.800 0.058 0.000 0.963 97 D HN 0.374 nan 8.370 nan 0.000 0.506 98 A N -0.307 122.513 122.820 0.001 0.000 2.574 98 A HA 0.647 4.965 4.320 -0.004 0.000 0.297 98 A C -1.570 175.899 177.584 -0.191 0.000 1.062 98 A CA -0.684 51.311 52.037 -0.070 0.000 0.686 98 A CB 1.991 20.986 19.000 -0.008 0.000 1.285 98 A HN 0.022 nan 8.150 nan 0.000 0.403 99 V N 1.238 120.977 119.914 -0.293 0.000 2.709 99 V HA 0.526 4.643 4.120 -0.004 0.000 0.308 99 V C -0.496 175.450 176.094 -0.247 0.000 1.062 99 V CA -0.664 61.359 62.300 -0.462 0.000 0.901 99 V CB 1.906 33.187 31.823 -0.904 0.000 1.003 99 V HN 0.759 nan 8.190 nan 0.000 0.425 100 V N 5.194 125.006 119.914 -0.169 0.000 2.407 100 V HA 0.606 4.724 4.120 -0.004 0.000 0.278 100 V C 0.072 176.145 176.094 -0.035 0.000 1.037 100 V CA -0.342 61.938 62.300 -0.032 0.000 0.900 100 V CB 1.445 33.302 31.823 0.057 0.000 0.983 100 V HN 0.762 nan 8.190 nan 0.000 0.459 101 V N 2.171 122.026 119.914 -0.098 0.000 3.113 101 V HA 1.160 5.278 4.120 -0.004 0.000 0.316 101 V C 0.149 175.886 176.094 -0.594 0.000 1.125 101 V CA -0.218 61.953 62.300 -0.215 0.000 1.026 101 V CB 1.743 33.469 31.823 -0.161 0.000 1.080 101 V HN 1.134 nan 8.190 nan 0.000 0.444 102 G N 0.796 109.029 108.800 -0.945 0.000 2.451 102 G HA2 0.630 4.588 3.960 -0.004 0.000 0.292 102 G HA3 0.630 4.588 3.960 -0.004 0.000 0.292 102 G C -2.230 172.205 174.900 -0.775 0.000 1.427 102 G CA -0.747 43.466 45.100 -1.479 0.000 0.792 102 G HN 0.893 nan 8.290 nan 0.000 0.498 103 Q N -1.189 118.418 119.800 -0.322 0.000 2.345 103 Q HA 0.673 5.011 4.340 -0.004 0.000 0.275 103 Q C -0.914 175.240 176.000 0.257 0.000 1.063 103 Q CA -0.708 55.121 55.803 0.044 0.000 0.819 103 Q CB 3.012 31.752 28.738 0.003 0.000 1.356 103 Q HN 0.540 nan 8.270 nan 0.000 0.418 104 V N 1.536 121.673 119.914 0.372 0.000 2.540 104 V HA 0.873 4.991 4.120 -0.004 0.000 0.302 104 V C -0.626 175.779 176.094 0.518 0.000 1.035 104 V CA -0.530 62.035 62.300 0.442 0.000 0.873 104 V CB 1.920 33.987 31.823 0.408 0.000 0.992 104 V HN 0.945 nan 8.190 nan 0.000 0.428 105 T N 3.202 118.028 114.554 0.453 0.000 2.909 105 T HA 0.682 5.030 4.350 -0.004 0.000 0.299 105 T C -3.184 171.752 174.700 0.394 0.000 1.073 105 T CA -2.224 60.076 62.100 0.332 0.000 0.999 105 T CB 2.586 71.534 68.868 0.134 0.000 1.098 105 T HN 0.426 nan 8.240 nan 0.000 0.477 106 P HA 0.405 nan 4.420 nan 0.000 0.282 106 P C -0.923 176.361 177.300 -0.027 0.000 1.249 106 P CA -0.555 62.594 63.100 0.083 0.000 0.806 106 P CB 0.736 32.494 31.700 0.098 0.000 0.984 107 N N 2.570 121.201 118.700 -0.115 0.000 2.404 107 N HA 0.312 5.050 4.740 -0.004 0.000 0.297 107 N C -1.736 173.730 175.510 -0.074 0.000 1.163 107 N CA -1.841 51.169 53.050 -0.066 0.000 0.864 107 N CB 0.788 39.247 38.487 -0.046 0.000 1.247 107 N HN 0.230 nan 8.380 nan 0.000 0.510 108 P HA -0.057 nan 4.420 nan 0.000 0.223 108 P C 0.392 177.672 177.300 -0.034 0.000 1.151 108 P CA 1.003 64.082 63.100 -0.035 0.000 0.787 108 P CB 0.128 31.815 31.700 -0.022 0.000 0.788 109 D N -0.993 119.387 120.400 -0.034 0.000 2.352 109 D HA 0.061 4.699 4.640 -0.004 0.000 0.232 109 D C 1.426 177.704 176.300 -0.037 0.000 1.055 109 D CA 0.563 54.548 54.000 -0.025 0.000 0.891 109 D CB -0.967 39.825 40.800 -0.012 0.000 0.897 109 D HN 0.237 nan 8.370 nan 0.000 0.529 110 G N -0.128 108.625 108.800 -0.078 0.000 2.176 110 G HA2 -0.310 3.647 3.960 -0.004 0.000 0.253 110 G HA3 -0.310 3.647 3.960 -0.004 0.000 0.253 110 G C 0.548 175.322 174.900 -0.211 0.000 0.979 110 G CA 0.568 45.599 45.100 -0.115 0.000 0.641 110 G HN 0.811 nan 8.290 nan 0.000 0.530 111 S N -0.747 114.852 115.700 -0.168 0.000 2.652 111 S HA 0.769 5.236 4.470 -0.004 0.000 0.267 111 S C -0.189 174.172 174.600 -0.398 0.000 1.201 111 S CA -0.287 57.832 58.200 -0.136 0.000 0.996 111 S CB 1.173 64.387 63.200 0.023 0.000 1.054 111 S HN 0.602 nan 8.310 nan 0.000 0.561 112 Y N -0.588 119.797 120.300 0.143 0.000 2.524 112 Y HA 0.458 5.005 4.550 -0.004 0.000 0.347 112 Y C -0.132 175.869 175.900 0.168 0.000 1.005 112 Y CA -1.107 57.097 58.100 0.172 0.000 1.025 112 Y CB 1.785 40.349 38.460 0.173 0.000 1.275 112 Y HN 0.601 nan 8.280 nan 0.000 0.460 113 N N 1.621 120.509 118.700 0.313 0.000 2.426 113 N HA 0.427 5.165 4.740 -0.004 0.000 0.275 113 N C -1.391 174.292 175.510 0.290 0.000 1.019 113 N CA -0.402 52.797 53.050 0.248 0.000 0.941 113 N CB 2.357 40.937 38.487 0.154 0.000 1.123 113 N HN 0.247 nan 8.380 nan 0.000 0.486 114 V N 1.255 121.347 119.914 0.298 0.000 2.409 114 V HA 0.695 4.813 4.120 -0.004 0.000 0.291 114 V C -0.187 176.062 176.094 0.259 0.000 1.020 114 V CA -0.685 61.825 62.300 0.349 0.000 0.848 114 V CB 1.124 33.193 31.823 0.410 0.000 0.990 114 V HN 0.816 nan 8.190 nan 0.000 0.430 115 A N 5.262 128.207 122.820 0.209 0.000 2.414 115 A HA 0.949 5.267 4.320 -0.004 0.000 0.306 115 A C -1.297 176.290 177.584 0.005 0.000 1.054 115 A CA -0.574 51.464 52.037 0.002 0.000 0.724 115 A CB 1.644 20.586 19.000 -0.097 0.000 1.267 115 A HN 1.115 nan 8.150 nan 0.000 0.418 116 Y N -0.128 120.105 120.300 -0.112 0.000 2.570 116 Y HA 0.842 5.389 4.550 -0.004 0.000 0.345 116 Y C -0.823 174.976 175.900 -0.167 0.000 1.014 116 Y CA -1.142 56.844 58.100 -0.191 0.000 1.063 116 Y CB 1.496 40.017 38.460 0.101 0.000 1.272 116 Y HN 0.569 nan 8.280 nan 0.000 0.477 117 Q N 2.503 122.160 119.800 -0.239 0.000 2.359 117 Q HA 0.518 4.856 4.340 -0.004 0.000 0.274 117 Q C -2.060 173.958 176.000 0.030 0.000 1.074 117 Q CA -0.763 54.891 55.803 -0.249 0.000 0.810 117 Q CB 2.963 31.564 28.738 -0.227 0.000 1.342 117 Q HN 0.815 nan 8.270 nan 0.000 0.427 118 L N 2.243 123.514 121.223 0.080 0.000 2.280 118 L HA 0.720 5.058 4.340 -0.004 0.000 0.287 118 L C -1.548 175.319 176.870 -0.006 0.000 1.023 118 L CA -0.556 54.340 54.840 0.093 0.000 0.819 118 L CB 1.373 43.543 42.059 0.185 0.000 1.212 118 L HN 0.530 nan 8.230 nan 0.000 0.420 119 V N 4.567 124.446 119.914 -0.059 0.000 2.495 119 V HA 0.352 4.470 4.120 -0.004 0.000 0.298 119 V C -0.329 175.720 176.094 -0.075 0.000 1.031 119 V CA -0.848 61.407 62.300 -0.075 0.000 0.871 119 V CB 1.662 33.420 31.823 -0.108 0.000 0.988 119 V HN 0.737 nan 8.190 nan 0.000 0.432 120 D N 3.429 123.805 120.400 -0.041 0.000 2.348 120 D HA 0.092 4.730 4.640 -0.004 0.000 0.253 120 D C 0.565 176.853 176.300 -0.021 0.000 1.161 120 D CA 0.077 54.064 54.000 -0.022 0.000 0.876 120 D CB 1.709 42.506 40.800 -0.005 0.000 1.160 120 D HN 0.756 nan 8.370 nan 0.000 0.459 121 T N 0.905 115.451 114.554 -0.012 0.000 3.313 121 T HA 0.516 4.864 4.350 -0.004 0.000 0.263 121 T C 0.637 175.374 174.700 0.062 0.000 0.983 121 T CA -0.356 61.764 62.100 0.032 0.000 0.963 121 T CB 0.658 69.555 68.868 0.049 0.000 1.141 121 T HN 0.315 nan 8.240 nan 0.000 0.526 122 G N 1.066 109.892 108.800 0.042 0.000 2.665 122 G HA2 0.528 4.486 3.960 -0.004 0.000 0.204 122 G HA3 0.528 4.486 3.960 -0.004 0.000 0.204 122 G C 1.091 176.011 174.900 0.035 0.000 1.883 122 G CA 0.084 45.210 45.100 0.044 0.000 0.734 122 G HN 0.342 nan 8.290 nan 0.000 0.811 123 G N -0.172 108.643 108.800 0.026 0.000 2.939 123 G HA2 0.420 4.378 3.960 -0.004 0.000 0.210 123 G HA3 0.420 4.378 3.960 -0.004 0.000 0.210 123 G C 0.598 175.508 174.900 0.017 0.000 1.160 123 G CA 1.319 46.432 45.100 0.021 0.000 0.770 123 G HN 1.116 nan 8.290 nan 0.000 0.543 124 A N 1.267 124.096 122.820 0.015 0.000 3.297 124 A HA 0.618 4.935 4.320 -0.004 0.000 0.304 124 A C -2.687 174.904 177.584 0.011 0.000 0.963 124 A CA -1.067 50.976 52.037 0.011 0.000 0.935 124 A CB 0.851 19.855 19.000 0.006 0.000 1.093 124 A HN 0.099 nan 8.150 nan 0.000 0.480 125 P HA 0.250 nan 4.420 nan 0.000 0.267 125 P C 1.074 178.383 177.300 0.015 0.000 1.205 125 P CA 1.926 65.040 63.100 0.023 0.000 0.765 125 P CB 1.070 32.792 31.700 0.036 0.000 0.828 126 G N 2.231 111.035 108.800 0.006 0.000 2.241 126 G HA2 -0.210 3.747 3.960 -0.004 0.000 0.244 126 G HA3 -0.210 3.747 3.960 -0.004 0.000 0.244 126 G C 0.321 175.212 174.900 -0.015 0.000 0.998 126 G CA 0.033 45.132 45.100 -0.002 0.000 0.621 126 G HN 0.608 nan 8.290 nan 0.000 0.519 127 T N 1.651 116.197 114.554 -0.013 0.000 2.916 127 T HA 0.424 4.772 4.350 -0.004 0.000 0.303 127 T C 0.678 175.362 174.700 -0.026 0.000 1.025 127 T CA 0.167 62.257 62.100 -0.017 0.000 1.142 127 T CB 1.942 70.804 68.868 -0.010 0.000 0.947 127 T HN 0.506 nan 8.240 nan 0.000 0.544 128 V N 6.096 125.990 119.914 -0.034 0.000 2.408 128 V HA 0.132 4.250 4.120 -0.004 0.000 0.267 128 V C 1.285 177.362 176.094 -0.028 0.000 1.047 128 V CA -0.028 62.245 62.300 -0.044 0.000 0.937 128 V CB 0.598 32.380 31.823 -0.069 0.000 0.999 128 V HN 0.824 nan 8.190 nan 0.000 0.472 129 L N 3.920 125.137 121.223 -0.011 0.000 2.249 129 L HA 0.434 4.771 4.340 -0.004 0.000 0.207 129 L C 0.952 177.836 176.870 0.025 0.000 1.090 129 L CA 1.002 55.848 54.840 0.009 0.000 0.802 129 L CB -0.010 42.062 42.059 0.021 0.000 0.947 129 L HN 0.776 nan 8.230 nan 0.000 0.453 130 A N -0.030 122.811 122.820 0.035 0.000 2.605 130 A HA 0.662 4.980 4.320 -0.004 0.000 0.294 130 A C -1.578 175.964 177.584 -0.071 0.000 1.062 130 A CA -0.498 51.573 52.037 0.058 0.000 0.682 130 A CB 1.498 20.615 19.000 0.195 0.000 1.278 130 A HN 0.114 nan 8.150 nan 0.000 0.410 131 Q N 1.030 120.683 119.800 -0.245 0.000 2.578 131 Q HA 0.747 5.084 4.340 -0.004 0.000 0.284 131 Q C -1.731 173.902 176.000 -0.612 0.000 0.960 131 Q CA -0.987 54.380 55.803 -0.727 0.000 0.809 131 Q CB 1.726 30.199 28.738 -0.441 0.000 1.462 131 Q HN 0.696 nan 8.270 nan 0.000 0.392 132 N N -0.308 117.905 118.700 -0.811 0.000 3.261 132 N HA 0.540 5.278 4.740 -0.004 0.000 0.248 132 N C -2.078 173.096 175.510 -0.560 0.000 1.498 132 N CA -0.175 52.594 53.050 -0.468 0.000 0.884 132 N CB 2.488 40.821 38.487 -0.256 0.000 1.428 132 N HN 0.633 nan 8.380 nan 0.000 0.517 133 S N 0.196 115.546 115.700 -0.582 0.000 2.548 133 S HA 0.738 5.206 4.470 -0.004 0.000 0.276 133 S C -2.002 172.319 174.600 -0.465 0.000 1.129 133 S CA -0.417 57.488 58.200 -0.493 0.000 0.931 133 S CB 0.293 63.373 63.200 -0.201 0.000 1.068 133 S HN 0.348 nan 8.310 nan 0.000 0.480 134 Y N 2.150 122.532 120.300 0.136 0.000 2.361 134 Y HA 0.492 5.040 4.550 -0.004 0.000 0.337 134 Y C 0.106 176.095 175.900 0.148 0.000 0.965 134 Y CA -0.950 57.236 58.100 0.143 0.000 1.091 134 Y CB 1.406 39.971 38.460 0.175 0.000 1.182 134 Y HN 0.568 nan 8.280 nan 0.000 0.450 135 K N 4.230 124.789 120.400 0.264 0.000 2.264 135 K HA 0.655 4.973 4.320 -0.004 0.000 0.277 135 K C -1.181 175.549 176.600 0.217 0.000 1.067 135 K CA -0.462 55.947 56.287 0.204 0.000 0.900 135 K CB 0.404 32.980 32.500 0.127 0.000 1.124 135 K HN 0.648 nan 8.250 nan 0.000 0.469 136 V N 0.553 120.622 119.914 0.259 0.000 3.078 136 V HA 0.498 4.616 4.120 -0.004 0.000 0.311 136 V C -0.527 175.746 176.094 0.299 0.000 1.138 136 V CA -1.366 61.094 62.300 0.266 0.000 1.007 136 V CB 1.706 33.728 31.823 0.333 0.000 1.045 136 V HN 0.632 nan 8.190 nan 0.000 0.432 137 N N 1.268 120.151 118.700 0.305 0.000 2.381 137 N HA 0.255 4.992 4.740 -0.004 0.000 0.254 137 N C 1.093 176.814 175.510 0.351 0.000 1.264 137 N CA 0.111 53.349 53.050 0.314 0.000 0.942 137 N CB 1.135 39.797 38.487 0.290 0.000 1.190 137 N HN 0.972 nan 8.380 nan 0.000 0.495 138 K N 0.220 120.808 120.400 0.313 0.000 2.147 138 K HA -0.152 4.165 4.320 -0.004 0.000 0.205 138 K C 1.030 177.656 176.600 0.042 0.000 1.049 138 K CA 1.448 57.861 56.287 0.209 0.000 0.936 138 K CB -0.056 32.569 32.500 0.208 0.000 0.722 138 K HN 0.312 nan 8.250 nan 0.000 0.446 139 Q N -0.100 119.701 119.800 0.002 0.000 2.364 139 Q HA -0.089 4.249 4.340 -0.004 0.000 0.209 139 Q C 0.345 176.002 176.000 -0.572 0.000 0.977 139 Q CA 1.477 57.109 55.803 -0.286 0.000 0.885 139 Q CB -0.105 28.421 28.738 -0.355 0.000 0.941 139 Q HN 0.539 nan 8.270 nan 0.000 0.464 140 W N -0.867 120.454 121.300 0.036 0.000 3.067 140 W HA 0.348 5.006 4.660 -0.003 0.000 0.417 140 W C 0.615 177.184 176.519 0.084 0.000 1.029 140 W CA -0.462 56.916 57.345 0.054 0.000 1.992 140 W CB 0.163 29.634 29.460 0.017 0.000 1.122 140 W HN 0.048 nan 8.180 nan 0.000 0.681 141 L N 0.263 121.549 121.223 0.105 0.000 2.027 141 L HA -0.165 4.173 4.340 -0.004 0.000 0.206 141 L C 2.634 179.474 176.870 -0.050 0.000 1.074 141 L CA 1.425 56.274 54.840 0.015 0.000 0.745 141 L CB -0.469 41.508 42.059 -0.137 0.000 0.898 141 L HN -0.004 nan 8.230 nan 0.000 0.433 142 R N -1.100 119.335 120.500 -0.108 0.000 2.105 142 R HA -0.238 4.099 4.340 -0.004 0.000 0.239 142 R C 2.285 178.503 176.300 -0.136 0.000 1.135 142 R CA 1.898 57.858 56.100 -0.233 0.000 0.967 142 R CB -0.585 29.580 30.300 -0.226 0.000 0.861 142 R HN 0.313 nan 8.270 nan 0.000 0.442 143 Y N 1.198 121.527 120.300 0.049 0.000 2.145 143 Y HA -0.238 4.310 4.550 -0.004 0.000 0.286 143 Y C 2.361 178.281 175.900 0.034 0.000 1.145 143 Y CA 1.427 59.643 58.100 0.194 0.000 1.148 143 Y CB -0.387 38.325 38.460 0.419 0.000 0.981 143 Y HN 0.064 nan 8.280 nan 0.000 0.507 144 A N 0.276 123.174 122.820 0.130 0.000 1.873 144 A HA -0.219 4.099 4.320 -0.004 0.000 0.218 144 A C 2.503 179.999 177.584 -0.146 0.000 1.193 144 A CA 2.120 54.113 52.037 -0.074 0.000 0.629 144 A CB -1.828 17.270 19.000 0.162 0.000 0.826 144 A HN 0.618 nan 8.150 nan 0.000 0.447 145 G N -1.219 107.484 108.800 -0.161 0.000 2.446 145 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.217 145 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.217 145 G C 1.369 176.110 174.900 -0.266 0.000 1.168 145 G CA 1.333 46.274 45.100 -0.264 0.000 0.771 145 G HN 0.797 nan 8.290 nan 0.000 0.551 146 H N -0.285 118.685 119.070 -0.166 0.000 2.423 146 H HA -0.002 4.551 4.556 -0.004 0.000 0.297 146 H C 2.922 178.154 175.328 -0.159 0.000 1.075 146 H CA 1.288 57.258 56.048 -0.131 0.000 1.342 146 H CB 0.106 29.848 29.762 -0.035 0.000 1.395 146 H HN 0.301 nan 8.280 nan 0.000 0.530 147 T N 0.415 114.840 114.554 -0.215 0.000 2.708 147 T HA -0.192 4.156 4.350 -0.004 0.000 0.266 147 T C 2.402 177.040 174.700 -0.103 0.000 1.037 147 T CA 1.070 62.989 62.100 -0.301 0.000 1.146 147 T CB -0.440 67.993 68.868 -0.725 0.000 0.865 147 T HN 0.490 nan 8.240 nan 0.000 0.435 148 A N 1.870 124.663 122.820 -0.044 0.000 1.865 148 A HA -0.140 4.178 4.320 -0.004 0.000 0.217 148 A C 2.603 180.033 177.584 -0.258 0.000 1.191 148 A CA 2.178 54.140 52.037 -0.126 0.000 0.623 148 A CB -1.032 17.964 19.000 -0.007 0.000 0.826 148 A HN 0.491 nan 8.150 nan 0.000 0.444 149 S N 0.450 116.052 115.700 -0.164 0.000 2.383 149 S HA -0.185 4.283 4.470 -0.004 0.000 0.229 149 S C 1.547 176.249 174.600 0.170 0.000 1.030 149 S CA 1.443 59.559 58.200 -0.140 0.000 1.002 149 S CB -0.519 62.405 63.200 -0.460 0.000 0.829 149 S HN 0.596 nan 8.310 nan 0.000 0.467 150 D N 1.339 121.878 120.400 0.232 0.000 2.123 150 D HA -0.092 4.546 4.640 -0.004 0.000 0.196 150 D C 2.042 178.434 176.300 0.153 0.000 0.992 150 D CA 1.106 55.228 54.000 0.203 0.000 0.833 150 D CB -0.276 40.556 40.800 0.055 0.000 0.954 150 D HN 0.559 nan 8.370 nan 0.000 0.455 151 E N -0.004 120.240 120.200 0.074 0.000 2.107 151 E HA -0.072 4.276 4.350 -0.004 0.000 0.191 151 E C 2.278 178.921 176.600 0.070 0.000 0.982 151 E CA 0.365 56.821 56.400 0.093 0.000 0.809 151 E CB 0.212 30.021 29.700 0.180 0.000 0.756 151 E HN 0.076 nan 8.360 nan 0.000 0.459 152 V N 1.057 120.951 119.914 -0.032 0.000 2.358 152 V HA -0.226 3.891 4.120 -0.004 0.000 0.246 152 V C 1.978 178.096 176.094 0.041 0.000 1.047 152 V CA 1.568 63.844 62.300 -0.041 0.000 1.035 152 V CB -0.451 31.268 31.823 -0.173 0.000 0.658 152 V HN 0.222 nan 8.190 nan 0.000 0.452 153 F N 1.129 121.067 119.950 -0.021 0.000 2.095 153 F HA -0.211 4.313 4.527 -0.004 0.000 0.298 153 F C 2.492 178.345 175.800 0.088 0.000 1.104 153 F CA 2.410 60.452 58.000 0.070 0.000 1.232 153 F CB -0.144 38.978 39.000 0.202 0.000 0.987 153 F HN 0.200 nan 8.300 nan 0.000 0.475 154 E N -0.072 120.230 120.200 0.170 0.000 2.107 154 E HA -0.242 4.105 4.350 -0.004 0.000 0.191 154 E C 2.167 178.765 176.600 -0.003 0.000 0.982 154 E CA 0.993 57.428 56.400 0.058 0.000 0.809 154 E CB -0.103 29.652 29.700 0.092 0.000 0.756 154 E HN 0.216 nan 8.360 nan 0.000 0.459 155 K N 0.735 121.154 120.400 0.031 0.000 2.057 155 K HA -0.110 4.207 4.320 -0.004 0.000 0.207 155 K C 1.909 178.513 176.600 0.007 0.000 1.049 155 K CA 1.361 57.664 56.287 0.028 0.000 0.931 155 K CB -0.241 32.293 32.500 0.058 0.000 0.714 155 K HN 0.180 nan 8.250 nan 0.000 0.440 156 L N -0.048 121.180 121.223 0.007 0.000 2.341 156 L HA 0.027 4.365 4.340 -0.004 0.000 0.214 156 L C 1.945 178.794 176.870 -0.034 0.000 1.115 156 L CA 1.352 56.212 54.840 0.034 0.000 0.820 156 L CB -0.379 41.779 42.059 0.166 0.000 0.944 156 L HN 0.409 nan 8.230 nan 0.000 0.452 157 T N -5.336 109.124 114.554 -0.157 0.000 2.971 157 T HA 0.260 4.608 4.350 -0.004 0.000 0.252 157 T C 1.528 176.130 174.700 -0.164 0.000 1.022 157 T CA 0.545 62.501 62.100 -0.240 0.000 0.980 157 T CB 0.880 69.413 68.868 -0.558 0.000 1.044 157 T HN 0.324 nan 8.240 nan 0.000 0.501 158 G N 1.657 110.387 108.800 -0.117 0.000 2.184 158 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.264 158 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.264 158 G C 0.003 174.880 174.900 -0.038 0.000 0.975 158 G CA 0.356 45.422 45.100 -0.058 0.000 0.642 158 G HN 0.677 nan 8.290 nan 0.000 0.536 159 I N 0.659 121.191 120.570 -0.064 0.000 2.392 159 I HA 0.335 4.503 4.170 -0.004 0.000 0.295 159 I C 0.751 176.966 176.117 0.164 0.000 0.985 159 I CA -0.895 60.437 61.300 0.053 0.000 1.221 159 I CB 1.589 39.651 38.000 0.104 0.000 1.366 159 I HN 0.082 nan 8.210 nan 0.000 0.467 160 K N 3.940 124.412 120.400 0.119 0.000 2.436 160 K HA 0.233 4.551 4.320 -0.004 0.000 0.275 160 K C 0.244 176.900 176.600 0.093 0.000 0.999 160 K CA -0.116 56.202 56.287 0.052 0.000 0.980 160 K CB 0.667 33.105 32.500 -0.102 0.000 0.919 160 K HN 0.822 nan 8.250 nan 0.000 0.484 161 G N 1.411 110.211 108.800 -0.001 0.000 2.444 161 G HA2 0.441 4.399 3.960 -0.004 0.000 0.268 161 G HA3 0.441 4.399 3.960 -0.004 0.000 0.268 161 G C -0.125 174.588 174.900 -0.311 0.000 1.203 161 G CA -0.345 44.572 45.100 -0.306 0.000 0.835 161 G HN 0.715 nan 8.290 nan 0.000 0.543 162 A N 1.447 123.875 122.820 -0.655 0.000 2.637 162 A HA 0.482 4.799 4.320 -0.004 0.000 0.293 162 A C 0.843 178.085 177.584 -0.571 0.000 1.216 162 A CA -0.403 51.361 52.037 -0.455 0.000 0.956 162 A CB -0.051 18.599 19.000 -0.583 0.000 1.174 162 A HN 0.502 nan 8.150 nan 0.000 0.525 163 F N 0.015 119.754 119.950 -0.352 0.000 2.558 163 F HA 0.119 4.644 4.527 -0.004 0.000 0.298 163 F C 2.073 177.628 175.800 -0.408 0.000 1.119 163 F CA 0.694 58.405 58.000 -0.481 0.000 1.451 163 F CB -0.007 38.830 39.000 -0.272 0.000 1.091 163 F HN 0.198 nan 8.300 nan 0.000 0.563 164 R N 0.195 120.661 120.500 -0.056 0.000 2.335 164 R HA 0.073 4.411 4.340 -0.004 0.000 0.223 164 R C 0.602 176.971 176.300 0.115 0.000 0.940 164 R CA 0.252 56.361 56.100 0.015 0.000 1.086 164 R CB -0.478 29.790 30.300 -0.054 0.000 1.073 164 R HN 0.216 nan 8.270 nan 0.000 0.504 165 T N -1.495 113.114 114.554 0.092 0.000 2.874 165 T HA 0.388 4.735 4.350 -0.004 0.000 0.281 165 T C 0.418 175.214 174.700 0.161 0.000 0.994 165 T CA -0.703 61.469 62.100 0.122 0.000 1.015 165 T CB 1.902 70.913 68.868 0.238 0.000 1.028 165 T HN 0.039 nan 8.240 nan 0.000 0.523 166 R N 0.030 120.546 120.500 0.025 0.000 2.875 166 R HA 0.796 5.134 4.340 -0.004 0.000 0.251 166 R C -0.326 175.981 176.300 0.011 0.000 1.123 166 R CA -1.066 55.081 56.100 0.079 0.000 1.064 166 R CB 1.338 31.736 30.300 0.165 0.000 1.205 166 R HN 0.832 nan 8.270 nan 0.000 0.503 167 I N -2.169 118.499 120.570 0.163 0.000 2.828 167 I HA 0.797 4.965 4.170 -0.004 0.000 0.302 167 I C -0.984 175.357 176.117 0.374 0.000 1.101 167 I CA -1.137 60.299 61.300 0.225 0.000 1.031 167 I CB 2.409 40.388 38.000 -0.035 0.000 1.231 167 I HN 0.572 nan 8.210 nan 0.000 0.427 168 A N 4.069 127.107 122.820 0.363 0.000 2.337 168 A HA 0.968 5.286 4.320 -0.004 0.000 0.331 168 A C -1.283 176.324 177.584 0.039 0.000 1.137 168 A CA -0.484 51.500 52.037 -0.088 0.000 0.807 168 A CB 1.105 19.890 19.000 -0.359 0.000 1.250 168 A HN 0.938 nan 8.150 nan 0.000 0.468 169 Y N -2.164 118.105 120.300 -0.052 0.000 2.677 169 Y HA 0.603 5.151 4.550 -0.004 0.000 0.334 169 Y C -1.151 174.752 175.900 0.006 0.000 1.196 169 Y CA -1.426 56.682 58.100 0.014 0.000 1.059 169 Y CB 0.769 39.228 38.460 -0.001 0.000 1.315 169 Y HN 0.395 nan 8.280 nan 0.000 0.455 170 V N 2.556 122.646 119.914 0.294 0.000 2.398 170 V HA 0.561 4.678 4.120 -0.004 0.000 0.286 170 V C -0.534 175.713 176.094 0.256 0.000 1.026 170 V CA -0.797 61.639 62.300 0.226 0.000 0.868 170 V CB 1.409 33.425 31.823 0.322 0.000 0.982 170 V HN 0.653 nan 8.190 nan 0.000 0.443 171 V N 5.280 125.307 119.914 0.189 0.000 2.427 171 V HA 0.443 4.561 4.120 -0.004 0.000 0.286 171 V C -0.083 176.065 176.094 0.090 0.000 1.034 171 V CA -0.495 61.888 62.300 0.138 0.000 0.893 171 V CB 1.528 33.420 31.823 0.115 0.000 0.982 171 V HN 0.945 nan 8.190 nan 0.000 0.452 172 Q N 3.505 123.330 119.800 0.043 0.000 2.381 172 Q HA 0.467 4.804 4.340 -0.004 0.000 0.263 172 Q C -0.027 175.909 176.000 -0.106 0.000 1.030 172 Q CA -0.515 55.250 55.803 -0.064 0.000 0.772 172 Q CB 1.569 30.293 28.738 -0.025 0.000 1.232 172 Q HN 0.949 nan 8.270 nan 0.000 0.476 173 T N 0.900 115.371 114.554 -0.138 0.000 2.824 173 T HA 0.267 4.615 4.350 -0.004 0.000 0.277 173 T C 0.914 175.531 174.700 -0.138 0.000 0.975 173 T CA -0.554 61.483 62.100 -0.105 0.000 0.966 173 T CB 0.768 69.590 68.868 -0.077 0.000 1.054 173 T HN 0.554 nan 8.240 nan 0.000 0.533 174 N N 0.649 119.293 118.700 -0.093 0.000 2.080 174 N HA 0.140 4.877 4.740 -0.004 0.000 0.189 174 N C 1.095 176.549 175.510 -0.093 0.000 1.036 174 N CA 1.455 54.454 53.050 -0.085 0.000 0.846 174 N CB -0.665 37.789 38.487 -0.055 0.000 1.015 174 N HN 0.885 nan 8.380 nan 0.000 0.423 175 G N -2.230 106.523 108.800 -0.078 0.000 3.243 175 G HA2 0.594 4.552 3.960 -0.004 0.000 0.248 175 G HA3 0.594 4.552 3.960 -0.004 0.000 0.248 175 G C -0.396 174.466 174.900 -0.062 0.000 1.267 175 G CA -0.032 45.025 45.100 -0.072 0.000 0.906 175 G HN 0.509 nan 8.290 nan 0.000 0.592 176 G N -1.826 106.948 108.800 -0.044 0.000 2.603 176 G HA2 -0.027 3.931 3.960 -0.004 0.000 0.686 176 G HA3 -0.027 3.931 3.960 -0.004 0.000 0.686 176 G C 0.294 175.164 174.900 -0.051 0.000 1.286 176 G CA 0.384 45.474 45.100 -0.016 0.000 0.871 176 G HN 0.694 nan 8.290 nan 0.000 0.568 177 Q N -0.947 118.828 119.800 -0.041 0.000 2.369 177 Q HA 0.261 4.599 4.340 -0.004 0.000 0.206 177 Q C 0.449 176.114 176.000 -0.559 0.000 0.963 177 Q CA 1.247 56.877 55.803 -0.288 0.000 0.894 177 Q CB 0.132 28.671 28.738 -0.331 0.000 0.965 177 Q HN 0.428 nan 8.270 nan 0.000 0.475 178 F N -0.890 119.054 119.950 -0.010 0.000 2.622 178 F HA 0.314 4.838 4.527 -0.004 0.000 0.338 178 F C -2.031 173.749 175.800 -0.033 0.000 1.334 178 F CA -2.024 55.977 58.000 0.002 0.000 1.179 178 F CB 1.554 40.539 39.000 -0.024 0.000 1.471 178 F HN -0.074 nan 8.300 nan 0.000 0.576 179 P HA -0.084 nan 4.420 nan 0.000 0.229 179 P C -0.650 176.459 177.300 -0.319 0.000 1.160 179 P CA 1.224 64.175 63.100 -0.248 0.000 0.777 179 P CB 0.058 31.448 31.700 -0.516 0.000 0.814 180 Y N 0.069 120.413 120.300 0.074 0.000 2.331 180 Y HA 0.438 4.986 4.550 -0.003 0.000 0.338 180 Y C 0.669 176.593 175.900 0.041 0.000 0.992 180 Y CA -0.794 57.347 58.100 0.068 0.000 1.121 180 Y CB 1.158 39.670 38.460 0.087 0.000 1.184 180 Y HN -0.200 nan 8.280 nan 0.000 0.469 181 E N 2.889 123.167 120.200 0.130 0.000 2.248 181 E HA 0.389 4.736 4.350 -0.004 0.000 0.267 181 E C -1.671 174.909 176.600 -0.034 0.000 0.877 181 E CA -1.239 55.174 56.400 0.022 0.000 0.759 181 E CB 2.816 32.505 29.700 -0.018 0.000 1.182 181 E HN 0.389 nan 8.360 nan 0.000 0.418 182 L N 3.451 124.591 121.223 -0.138 0.000 2.264 182 L HA 0.409 4.747 4.340 -0.004 0.000 0.289 182 L C -0.727 175.924 176.870 -0.365 0.000 1.044 182 L CA 0.154 54.828 54.840 -0.277 0.000 0.807 182 L CB 0.347 42.138 42.059 -0.447 0.000 1.192 182 L HN 0.484 nan 8.230 nan 0.000 0.425 183 R N 3.197 123.374 120.500 -0.539 0.000 2.888 183 R HA 0.841 5.178 4.340 -0.004 0.000 0.266 183 R C -1.519 174.186 176.300 -0.992 0.000 1.020 183 R CA -1.101 54.571 56.100 -0.713 0.000 0.963 183 R CB 2.362 32.283 30.300 -0.631 0.000 1.197 183 R HN 0.417 nan 8.270 nan 0.000 0.481 184 V N 0.848 120.160 119.914 -1.003 0.000 2.823 184 V HA 0.554 4.672 4.120 -0.004 0.000 0.312 184 V C -0.506 175.314 176.094 -0.458 0.000 1.072 184 V CA -0.449 61.393 62.300 -0.764 0.000 0.937 184 V CB 2.053 33.377 31.823 -0.833 0.000 1.013 184 V HN 1.034 nan 8.190 nan 0.000 0.430 185 S N 1.660 117.336 115.700 -0.039 0.000 2.685 185 S HA 0.615 5.083 4.470 -0.004 0.000 0.282 185 S C -1.222 173.490 174.600 0.187 0.000 1.159 185 S CA -0.983 57.295 58.200 0.131 0.000 0.833 185 S CB 1.934 65.249 63.200 0.191 0.000 1.151 185 S HN 0.533 nan 8.310 nan 0.000 0.485 186 D N 0.779 121.296 120.400 0.195 0.000 2.362 186 D HA 0.151 4.788 4.640 -0.004 0.000 0.238 186 D C 1.102 177.453 176.300 0.086 0.000 1.212 186 D CA 0.042 54.156 54.000 0.190 0.000 0.902 186 D CB 0.019 40.953 40.800 0.224 0.000 1.180 186 D HN 0.754 nan 8.370 nan 0.000 0.445 187 Y N 0.403 120.700 120.300 -0.006 0.000 2.315 187 Y HA -0.172 4.376 4.550 -0.003 0.000 0.288 187 Y C 1.028 176.900 175.900 -0.047 0.000 1.154 187 Y CA 1.465 59.486 58.100 -0.132 0.000 1.229 187 Y CB -0.428 37.996 38.460 -0.059 0.000 0.980 187 Y HN 0.224 nan 8.280 nan 0.000 0.540 188 D N -1.005 118.829 120.400 -0.943 0.000 2.340 188 D HA 0.226 4.864 4.640 -0.004 0.000 0.217 188 D C 1.789 177.969 176.300 -0.201 0.000 1.081 188 D CA 0.392 53.982 54.000 -0.682 0.000 0.842 188 D CB -0.018 40.402 40.800 -0.633 0.000 0.934 188 D HN 0.548 nan 8.370 nan 0.000 0.511 189 G N -0.817 107.901 108.800 -0.138 0.000 2.213 189 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.236 189 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.236 189 G C -0.071 174.750 174.900 -0.132 0.000 0.991 189 G CA -0.068 44.949 45.100 -0.139 0.000 0.629 189 G HN 0.337 nan 8.290 nan 0.000 0.517 190 Y N 0.734 121.014 120.300 -0.034 0.000 2.299 190 Y HA 0.455 5.003 4.550 -0.003 0.000 0.335 190 Y C 1.514 177.441 175.900 0.045 0.000 1.287 190 Y CA 0.240 58.341 58.100 0.001 0.000 1.424 190 Y CB 0.363 38.823 38.460 0.000 0.000 1.326 190 Y HN 0.227 nan 8.280 nan 0.000 0.567 191 N N 0.610 119.428 118.700 0.196 0.000 2.740 191 N HA -0.255 4.483 4.740 -0.004 0.000 0.248 191 N C -0.420 175.225 175.510 0.225 0.000 1.062 191 N CA 0.689 53.836 53.050 0.162 0.000 0.704 191 N CB -0.921 37.650 38.487 0.139 0.000 0.968 191 N HN 0.754 nan 8.380 nan 0.000 0.547 192 Q N 0.042 119.936 119.800 0.155 0.000 2.392 192 Q HA 0.359 4.697 4.340 -0.004 0.000 0.262 192 Q C -0.213 175.925 176.000 0.229 0.000 1.003 192 Q CA 0.009 55.890 55.803 0.129 0.000 0.888 192 Q CB 0.409 29.191 28.738 0.074 0.000 1.260 192 Q HN 0.314 nan 8.270 nan 0.000 0.435 193 F N -0.278 119.658 119.950 -0.025 0.000 2.686 193 F HA 0.586 5.110 4.527 -0.004 0.000 0.311 193 F C -1.737 174.015 175.800 -0.079 0.000 1.128 193 F CA -1.334 56.642 58.000 -0.041 0.000 0.946 193 F CB 0.702 39.687 39.000 -0.025 0.000 1.336 193 F HN 0.144 nan 8.300 nan 0.000 0.457 194 V N 2.741 122.701 119.914 0.075 0.000 2.406 194 V HA 0.219 4.336 4.120 -0.004 0.000 0.272 194 V C 0.570 176.667 176.094 0.006 0.000 1.043 194 V CA -0.309 61.955 62.300 -0.061 0.000 0.915 194 V CB 0.985 32.786 31.823 -0.037 0.000 0.988 194 V HN 0.890 nan 8.190 nan 0.000 0.466 195 V N 3.705 123.537 119.914 -0.136 0.000 2.500 195 V HA 0.077 4.195 4.120 -0.004 0.000 0.243 195 V C 0.444 176.554 176.094 0.025 0.000 1.039 195 V CA 1.145 63.418 62.300 -0.045 0.000 1.053 195 V CB -0.336 31.360 31.823 -0.212 0.000 0.695 195 V HN 0.992 nan 8.190 nan 0.000 0.463 196 H N -0.455 118.509 119.070 -0.176 0.000 3.129 196 H HA 0.538 5.092 4.556 -0.004 0.000 0.342 196 H C -0.655 174.611 175.328 -0.103 0.000 1.092 196 H CA -0.729 55.239 56.048 -0.133 0.000 1.310 196 H CB 1.042 30.687 29.762 -0.195 0.000 1.932 196 H HN 0.107 nan 8.280 nan 0.000 0.507 197 R N 2.847 122.984 120.500 -0.604 0.000 2.532 197 R HA 0.631 4.969 4.340 -0.004 0.000 0.295 197 R C -0.913 175.215 176.300 -0.287 0.000 0.968 197 R CA -0.925 54.972 56.100 -0.338 0.000 0.916 197 R CB 2.078 32.177 30.300 -0.335 0.000 1.124 197 R HN 0.521 nan 8.270 nan 0.000 0.463 198 S N 1.787 117.582 115.700 0.157 0.000 2.546 198 S HA 0.446 4.914 4.470 -0.004 0.000 0.274 198 S C -2.227 172.613 174.600 0.400 0.000 1.121 198 S CA -1.720 56.681 58.200 0.335 0.000 0.887 198 S CB 1.795 65.166 63.200 0.286 0.000 1.094 198 S HN 0.395 nan 8.310 nan 0.000 0.474 199 P HA 0.115 nan 4.420 nan 0.000 0.231 199 P C -0.246 177.193 177.300 0.231 0.000 1.168 199 P CA 0.688 63.796 63.100 0.014 0.000 0.779 199 P CB 0.209 31.774 31.700 -0.225 0.000 0.844 200 Q N -0.743 119.152 119.800 0.158 0.000 2.458 200 Q HA 0.462 4.799 4.340 -0.004 0.000 0.282 200 Q C -2.729 172.909 176.000 -0.603 0.000 1.106 200 Q CA -2.732 53.012 55.803 -0.099 0.000 0.814 200 Q CB 0.747 29.502 28.738 0.028 0.000 1.425 200 Q HN -0.099 nan 8.270 nan 0.000 0.437 201 P HA 0.054 nan 4.420 nan 0.000 0.265 201 P C -0.668 176.511 177.300 -0.202 0.000 1.187 201 P CA 0.482 62.993 63.100 -0.981 0.000 0.766 201 P CB 0.384 31.715 31.700 -0.614 0.000 0.820 202 L N 3.604 124.767 121.223 -0.099 0.000 2.329 202 L HA 0.561 4.899 4.340 -0.004 0.000 0.279 202 L C 0.290 177.070 176.870 -0.149 0.000 1.014 202 L CA -0.474 54.377 54.840 0.019 0.000 0.814 202 L CB 1.204 43.281 42.059 0.031 0.000 1.257 202 L HN 0.265 nan 8.230 nan 0.000 0.424 203 M N 1.015 120.455 119.600 -0.267 0.000 2.591 203 M HA 0.365 4.843 4.480 -0.004 0.000 0.306 203 M C 0.071 175.968 176.300 -0.672 0.000 1.190 203 M CA -0.675 54.097 55.300 -0.879 0.000 0.889 203 M CB 2.175 34.556 32.600 -0.366 0.000 1.728 203 M HN 0.541 nan 8.290 nan 0.000 0.458 204 S N 0.725 115.823 115.700 -1.003 0.000 3.711 204 S HA -0.071 4.396 4.470 -0.004 0.000 0.374 204 S C -2.383 172.191 174.600 -0.044 0.000 0.969 204 S CA -0.142 57.919 58.200 -0.232 0.000 1.198 204 S CB -1.850 61.313 63.200 -0.061 0.000 0.903 204 S HN 0.514 nan 8.310 nan 0.000 0.493 205 P HA 0.466 nan 4.420 nan 0.000 0.268 205 P C -0.532 176.806 177.300 0.063 0.000 1.205 205 P CA -0.057 63.039 63.100 -0.006 0.000 0.771 205 P CB 0.848 32.475 31.700 -0.122 0.000 0.858 206 A N 3.145 126.019 122.820 0.091 0.000 2.408 206 A HA 0.481 4.799 4.320 -0.004 0.000 0.295 206 A C -1.471 176.321 177.584 0.347 0.000 1.040 206 A CA -0.639 51.554 52.037 0.260 0.000 0.707 206 A CB 0.645 19.820 19.000 0.291 0.000 1.235 206 A HN 0.432 nan 8.150 nan 0.000 0.418 207 W N 2.430 123.891 121.300 0.269 0.000 2.272 207 W HA 0.457 5.114 4.660 -0.004 0.000 0.318 207 W C 1.117 177.571 176.519 -0.108 0.000 1.255 207 W CA 0.456 57.867 57.345 0.110 0.000 1.200 207 W CB 1.538 31.049 29.460 0.085 0.000 1.170 207 W HN 0.833 nan 8.180 nan 0.000 0.549 208 S N 3.269 118.746 115.700 -0.371 0.000 2.593 208 S HA 0.199 4.667 4.470 -0.004 0.000 0.269 208 S C -1.540 172.925 174.600 -0.226 0.000 1.334 208 S CA -0.993 56.628 58.200 -0.966 0.000 1.015 208 S CB 1.150 63.662 63.200 -1.147 0.000 0.912 208 S HN 0.404 nan 8.310 nan 0.000 0.541 209 P HA 0.009 nan 4.420 nan 0.000 0.233 209 P C 0.422 177.699 177.300 -0.038 0.000 1.167 209 P CA 0.858 63.926 63.100 -0.053 0.000 0.770 209 P CB -0.239 31.439 31.700 -0.036 0.000 0.837 210 D N -1.122 119.247 120.400 -0.051 0.000 2.340 210 D HA 0.080 4.718 4.640 -0.004 0.000 0.220 210 D C 1.477 177.789 176.300 0.019 0.000 1.039 210 D CA 0.513 54.505 54.000 -0.013 0.000 0.866 210 D CB -0.930 39.860 40.800 -0.017 0.000 0.913 210 D HN 0.183 nan 8.370 nan 0.000 0.523 211 G N 0.208 109.036 108.800 0.047 0.000 2.162 211 G HA2 -0.354 3.604 3.960 -0.004 0.000 0.260 211 G HA3 -0.354 3.604 3.960 -0.004 0.000 0.260 211 G C 1.106 176.172 174.900 0.276 0.000 0.976 211 G CA 0.888 46.088 45.100 0.165 0.000 0.655 211 G HN 0.700 nan 8.290 nan 0.000 0.533 212 S N -1.330 114.453 115.700 0.138 0.000 2.503 212 S HA 0.417 4.885 4.470 -0.004 0.000 0.217 212 S C 0.788 175.452 174.600 0.107 0.000 0.999 212 S CA 0.932 59.207 58.200 0.125 0.000 0.914 212 S CB 0.593 63.826 63.200 0.056 0.000 0.782 212 S HN 0.577 nan 8.310 nan 0.000 0.520 213 K N 0.381 120.811 120.400 0.050 0.000 2.435 213 K HA 0.686 5.003 4.320 -0.004 0.000 0.251 213 K C -1.567 175.020 176.600 -0.021 0.000 0.954 213 K CA -0.626 55.664 56.287 0.006 0.000 0.820 213 K CB 2.167 34.645 32.500 -0.036 0.000 1.292 213 K HN 0.080 nan 8.250 nan 0.000 0.436 214 L N 1.597 122.827 121.223 0.012 0.000 2.385 214 L HA 0.622 4.960 4.340 -0.004 0.000 0.273 214 L C -0.629 176.364 176.870 0.205 0.000 0.990 214 L CA -0.972 53.877 54.840 0.015 0.000 0.821 214 L CB 2.055 43.992 42.059 -0.203 0.000 1.279 214 L HN 0.731 nan 8.230 nan 0.000 0.412 215 A N 2.926 125.910 122.820 0.275 0.000 2.303 215 A HA 0.854 5.172 4.320 -0.004 0.000 0.317 215 A C -1.229 176.400 177.584 0.076 0.000 1.149 215 A CA -0.209 51.868 52.037 0.066 0.000 0.822 215 A CB 0.810 19.781 19.000 -0.047 0.000 1.131 215 A HN 0.705 nan 8.150 nan 0.000 0.493 216 Y N -1.742 118.466 120.300 -0.153 0.000 2.713 216 Y HA 0.610 5.158 4.550 -0.004 0.000 0.335 216 Y C -1.281 174.488 175.900 -0.218 0.000 1.222 216 Y CA -1.479 56.512 58.100 -0.182 0.000 1.061 216 Y CB 0.592 38.939 38.460 -0.188 0.000 1.314 216 Y HN 0.430 nan 8.280 nan 0.000 0.453 217 V N 1.698 121.588 119.914 -0.039 0.000 2.435 217 V HA 0.687 4.805 4.120 -0.004 0.000 0.290 217 V C -0.256 175.831 176.094 -0.012 0.000 1.030 217 V CA -0.121 62.084 62.300 -0.158 0.000 0.881 217 V CB 1.334 33.068 31.823 -0.148 0.000 0.983 217 V HN 0.918 nan 8.190 nan 0.000 0.445 218 T N 3.318 117.792 114.554 -0.133 0.000 2.876 218 T HA 0.582 4.930 4.350 -0.004 0.000 0.289 218 T C -0.269 174.351 174.700 -0.133 0.000 1.014 218 T CA -0.279 61.831 62.100 0.017 0.000 0.986 218 T CB 0.949 69.891 68.868 0.123 0.000 1.021 218 T HN 0.341 nan 8.240 nan 0.000 0.458 219 F N 1.743 121.670 119.950 -0.038 0.000 2.664 219 F HA 0.230 4.755 4.527 -0.003 0.000 0.303 219 F C 2.188 177.976 175.800 -0.020 0.000 1.092 219 F CA -0.342 57.634 58.000 -0.040 0.000 1.305 219 F CB 0.300 39.263 39.000 -0.061 0.000 1.054 219 F HN 0.789 nan 8.300 nan 0.000 0.565 220 E N -0.097 120.195 120.200 0.153 0.000 2.267 220 E HA -0.213 4.134 4.350 -0.004 0.000 0.197 220 E C 1.834 178.485 176.600 0.085 0.000 0.998 220 E CA 1.512 57.991 56.400 0.132 0.000 0.830 220 E CB -0.455 29.356 29.700 0.185 0.000 0.751 220 E HN 0.389 nan 8.360 nan 0.000 0.491 221 S N -0.643 115.084 115.700 0.044 0.000 2.562 221 S HA 0.260 4.727 4.470 -0.004 0.000 0.221 221 S C 1.616 176.231 174.600 0.025 0.000 0.975 221 S CA 0.398 58.607 58.200 0.015 0.000 0.918 221 S CB 0.343 63.523 63.200 -0.034 0.000 0.772 221 S HN 0.613 nan 8.310 nan 0.000 0.531 222 G N 0.705 109.542 108.800 0.062 0.000 2.253 222 G HA2 -0.174 3.783 3.960 -0.004 0.000 0.209 222 G HA3 -0.174 3.783 3.960 -0.004 0.000 0.209 222 G C 0.050 175.016 174.900 0.109 0.000 0.997 222 G CA -0.033 45.113 45.100 0.077 0.000 0.640 222 G HN 0.689 nan 8.290 nan 0.000 0.496 223 R N 0.789 121.320 120.500 0.051 0.000 2.808 223 R HA 0.598 4.936 4.340 -0.004 0.000 0.272 223 R C 0.476 176.611 176.300 -0.276 0.000 0.995 223 R CA 0.250 56.346 56.100 -0.007 0.000 0.917 223 R CB 1.362 31.631 30.300 -0.052 0.000 1.217 223 R HN 0.607 nan 8.270 nan 0.000 0.471 224 S N 0.960 116.300 115.700 -0.600 0.000 2.560 224 S HA 0.450 4.918 4.470 -0.004 0.000 0.284 224 S C -0.263 174.003 174.600 -0.558 0.000 1.327 224 S CA -0.308 57.287 58.200 -1.008 0.000 1.055 224 S CB 1.144 63.774 63.200 -0.949 0.000 0.868 224 S HN 0.673 nan 8.310 nan 0.000 0.506 225 A N 2.388 124.895 122.820 -0.522 0.000 2.455 225 A HA 0.674 4.992 4.320 -0.004 0.000 0.300 225 A C -1.059 176.258 177.584 -0.445 0.000 1.040 225 A CA -0.839 50.950 52.037 -0.412 0.000 0.697 225 A CB 1.371 20.176 19.000 -0.325 0.000 1.265 225 A HN 1.040 nan 8.150 nan 0.000 0.407 226 L N 3.488 124.438 121.223 -0.455 0.000 2.282 226 L HA 0.796 5.134 4.340 -0.004 0.000 0.288 226 L C -0.250 176.320 176.870 -0.500 0.000 1.033 226 L CA -0.231 54.316 54.840 -0.488 0.000 0.807 226 L CB 1.471 43.215 42.059 -0.526 0.000 1.209 226 L HN 1.075 nan 8.230 nan 0.000 0.423 227 V N 2.751 122.319 119.914 -0.577 0.000 3.141 227 V HA 0.671 4.789 4.120 -0.004 0.000 0.312 227 V C -0.626 175.171 176.094 -0.495 0.000 1.157 227 V CA -0.818 61.161 62.300 -0.535 0.000 1.041 227 V CB 2.102 33.559 31.823 -0.609 0.000 1.071 227 V HN 0.649 nan 8.190 nan 0.000 0.441 228 I N 1.770 122.158 120.570 -0.302 0.000 2.418 228 I HA 0.506 4.674 4.170 -0.004 0.000 0.287 228 I C -0.491 175.583 176.117 -0.072 0.000 1.008 228 I CA -0.272 60.957 61.300 -0.117 0.000 1.104 228 I CB 1.807 39.829 38.000 0.035 0.000 1.264 228 I HN 0.840 nan 8.210 nan 0.000 0.438 229 Q N 4.633 124.439 119.800 0.009 0.000 2.307 229 Q HA 0.394 4.731 4.340 -0.004 0.000 0.262 229 Q C -0.928 175.116 176.000 0.074 0.000 0.961 229 Q CA -0.590 55.250 55.803 0.062 0.000 0.882 229 Q CB 1.569 30.420 28.738 0.189 0.000 1.264 229 Q HN 0.588 nan 8.270 nan 0.000 0.446 230 T N 5.500 120.089 114.554 0.058 0.000 2.752 230 T HA 0.141 4.488 4.350 -0.004 0.000 0.295 230 T C 1.430 176.178 174.700 0.080 0.000 0.923 230 T CA -0.149 61.988 62.100 0.061 0.000 1.112 230 T CB 0.405 69.299 68.868 0.044 0.000 0.884 230 T HN 0.634 nan 8.240 nan 0.000 0.525 231 L N 2.329 123.614 121.223 0.105 0.000 2.046 231 L HA -0.104 4.233 4.340 -0.004 0.000 0.208 231 L C 2.841 179.774 176.870 0.105 0.000 1.077 231 L CA 1.291 56.224 54.840 0.155 0.000 0.747 231 L CB -0.669 41.537 42.059 0.245 0.000 0.896 231 L HN 0.757 nan 8.230 nan 0.000 0.432 232 A N 1.013 123.875 122.820 0.069 0.000 1.969 232 A HA -0.163 4.154 4.320 -0.004 0.000 0.218 232 A C 1.723 179.316 177.584 0.015 0.000 1.169 232 A CA 1.920 53.973 52.037 0.028 0.000 0.635 232 A CB -0.382 18.634 19.000 0.027 0.000 0.810 232 A HN 0.675 nan 8.150 nan 0.000 0.445 233 N N -3.409 115.308 118.700 0.028 0.000 2.118 233 N HA 0.243 4.981 4.740 -0.004 0.000 0.226 233 N C 0.858 176.386 175.510 0.030 0.000 1.305 233 N CA 0.968 54.030 53.050 0.021 0.000 0.890 233 N CB -0.210 38.286 38.487 0.015 0.000 1.118 233 N HN 0.721 nan 8.380 nan 0.000 0.511 234 G N -0.110 108.719 108.800 0.049 0.000 2.162 234 G HA2 -0.208 3.749 3.960 -0.004 0.000 0.260 234 G HA3 -0.208 3.749 3.960 -0.004 0.000 0.260 234 G C 0.382 175.309 174.900 0.045 0.000 0.976 234 G CA 0.269 45.405 45.100 0.060 0.000 0.655 234 G HN 0.872 nan 8.290 nan 0.000 0.533 235 A N -0.622 122.218 122.820 0.032 0.000 2.511 235 A HA 0.578 4.896 4.320 -0.004 0.000 0.242 235 A C 0.442 178.029 177.584 0.005 0.000 1.069 235 A CA 0.842 52.888 52.037 0.015 0.000 0.763 235 A CB 0.811 19.819 19.000 0.012 0.000 1.001 235 A HN 1.226 nan 8.150 nan 0.000 0.498 236 V N 3.410 123.313 119.914 -0.019 0.000 2.656 236 V HA 0.563 4.681 4.120 -0.004 0.000 0.307 236 V C 0.214 176.262 176.094 -0.077 0.000 1.051 236 V CA -0.685 61.580 62.300 -0.058 0.000 0.893 236 V CB 1.717 33.492 31.823 -0.081 0.000 0.999 236 V HN 1.001 nan 8.190 nan 0.000 0.426 237 R N 3.548 123.987 120.500 -0.100 0.000 2.437 237 R HA 0.469 4.807 4.340 -0.004 0.000 0.310 237 R C -0.893 175.306 176.300 -0.167 0.000 0.955 237 R CA -0.710 55.327 56.100 -0.104 0.000 0.851 237 R CB 1.388 31.646 30.300 -0.069 0.000 1.161 237 R HN 0.635 nan 8.270 nan 0.000 0.446 238 Q N 3.219 122.916 119.800 -0.173 0.000 2.296 238 Q HA 0.099 4.436 4.340 -0.004 0.000 0.262 238 Q C 0.542 176.395 176.000 -0.246 0.000 0.981 238 Q CA -0.068 55.597 55.803 -0.229 0.000 0.905 238 Q CB 1.913 30.523 28.738 -0.213 0.000 1.186 238 Q HN 0.556 nan 8.270 nan 0.000 0.399 239 V N 0.988 120.712 119.914 -0.318 0.000 2.521 239 V HA 0.267 4.384 4.120 -0.004 0.000 0.239 239 V C 0.361 176.229 176.094 -0.377 0.000 1.053 239 V CA 1.300 63.392 62.300 -0.347 0.000 1.073 239 V CB 0.308 31.846 31.823 -0.476 0.000 0.746 239 V HN 0.796 nan 8.190 nan 0.000 0.476 240 A N -1.094 121.462 122.820 -0.439 0.000 2.513 240 A HA 0.693 5.010 4.320 -0.004 0.000 0.296 240 A C -0.445 176.880 177.584 -0.432 0.000 1.052 240 A CA 0.028 51.810 52.037 -0.425 0.000 0.714 240 A CB 1.835 20.693 19.000 -0.237 0.000 1.279 240 A HN 0.003 nan 8.150 nan 0.000 0.397 241 S N 2.126 117.496 115.700 -0.551 0.000 2.472 241 S HA 0.507 4.975 4.470 -0.004 0.000 0.191 241 S C -0.451 173.913 174.600 -0.393 0.000 1.244 241 S CA -0.389 57.574 58.200 -0.395 0.000 1.227 241 S CB -0.718 62.283 63.200 -0.331 0.000 1.381 241 S HN 0.495 nan 8.310 nan 0.000 0.394 242 F N 2.092 121.940 119.950 -0.170 0.000 2.444 242 F HA 0.313 4.838 4.527 -0.004 0.000 0.297 242 F C -1.324 174.413 175.800 -0.104 0.000 1.295 242 F CA -1.352 56.572 58.000 -0.128 0.000 1.286 242 F CB -0.413 38.505 39.000 -0.137 0.000 1.298 242 F HN 0.226 nan 8.300 nan 0.000 0.531 243 P HA 0.047 nan 4.420 nan 0.000 0.273 243 P C -0.219 177.121 177.300 0.067 0.000 1.258 243 P CA 0.213 63.354 63.100 0.068 0.000 0.802 243 P CB 0.345 32.084 31.700 0.065 0.000 1.040 244 R N -2.261 118.276 120.500 0.062 0.000 3.726 244 R HA -0.277 4.061 4.340 -0.004 0.000 0.510 244 R C 0.449 176.816 176.300 0.111 0.000 0.241 244 R CA 1.211 57.367 56.100 0.093 0.000 1.592 244 R CB -2.069 28.286 30.300 0.092 0.000 0.955 244 R HN 0.658 nan 8.270 nan 0.000 0.585 245 H N 2.077 121.162 119.070 0.026 0.000 2.527 245 H HA 0.365 4.919 4.556 -0.004 0.000 0.321 245 H C -0.671 174.654 175.328 -0.006 0.000 1.087 245 H CA -0.271 55.783 56.048 0.009 0.000 1.337 245 H CB 0.663 30.458 29.762 0.056 0.000 1.440 245 H HN 0.270 nan 8.280 nan 0.000 0.490 246 N N 3.692 122.006 118.700 -0.643 0.000 2.483 246 N HA 0.460 5.197 4.740 -0.004 0.000 0.267 246 N C -0.622 174.466 175.510 -0.703 0.000 0.998 246 N CA -0.307 52.458 53.050 -0.475 0.000 0.918 246 N CB 2.164 40.441 38.487 -0.349 0.000 1.215 246 N HN 0.806 nan 8.380 nan 0.000 0.500 247 G N -0.073 108.503 108.800 -0.373 0.000 2.561 247 G HA2 0.527 4.485 3.960 -0.004 0.000 0.310 247 G HA3 0.527 4.485 3.960 -0.004 0.000 0.310 247 G C -0.978 173.962 174.900 0.066 0.000 1.292 247 G CA 0.036 45.017 45.100 -0.199 0.000 0.811 247 G HN 0.573 nan 8.290 nan 0.000 0.482 248 A N -0.113 122.779 122.820 0.119 0.000 2.610 248 A HA -0.022 4.296 4.320 -0.004 0.000 0.299 248 A C -1.680 175.981 177.584 0.128 0.000 1.487 248 A CA 1.087 53.210 52.037 0.143 0.000 0.743 248 A CB -1.847 17.259 19.000 0.176 0.000 1.070 248 A HN 0.769 nan 8.150 nan 0.000 0.439 249 P HA 0.545 nan 4.420 nan 0.000 0.274 249 P C -0.268 177.105 177.300 0.121 0.000 1.237 249 P CA 0.536 63.678 63.100 0.069 0.000 0.793 249 P CB 1.497 33.154 31.700 -0.071 0.000 0.977 250 A N 2.008 124.922 122.820 0.157 0.000 2.491 250 A HA 0.555 4.873 4.320 -0.004 0.000 0.293 250 A C -1.164 176.696 177.584 0.460 0.000 1.047 250 A CA -0.520 51.712 52.037 0.327 0.000 0.735 250 A CB 0.375 19.568 19.000 0.322 0.000 1.281 250 A HN 0.295 nan 8.150 nan 0.000 0.398 251 F N 2.225 122.389 119.950 0.357 0.000 2.399 251 F HA 0.411 4.936 4.527 -0.004 0.000 0.342 251 F C 1.583 177.277 175.800 -0.177 0.000 1.106 251 F CA 0.686 58.787 58.000 0.168 0.000 1.196 251 F CB 1.511 40.571 39.000 0.100 0.000 1.163 251 F HN 0.659 nan 8.300 nan 0.000 0.547 252 S N 3.505 118.852 115.700 -0.588 0.000 2.579 252 S HA 0.138 4.606 4.470 -0.004 0.000 0.275 252 S C -1.917 172.406 174.600 -0.462 0.000 1.345 252 S CA -1.090 56.295 58.200 -1.358 0.000 1.031 252 S CB 0.934 63.232 63.200 -1.503 0.000 0.892 252 S HN 0.387 nan 8.310 nan 0.000 0.529 253 P HA -0.121 nan 4.420 nan 0.000 0.218 253 P C 0.782 178.018 177.300 -0.106 0.000 1.148 253 P CA 1.497 64.524 63.100 -0.121 0.000 0.822 253 P CB -0.256 31.412 31.700 -0.053 0.000 0.784 254 D N -1.823 118.489 120.400 -0.147 0.000 2.349 254 D HA 0.065 4.703 4.640 -0.004 0.000 0.224 254 D C 1.459 177.715 176.300 -0.073 0.000 1.029 254 D CA 0.693 54.639 54.000 -0.089 0.000 0.879 254 D CB -1.048 39.703 40.800 -0.081 0.000 0.906 254 D HN 0.240 nan 8.370 nan 0.000 0.528 255 G N 0.092 108.844 108.800 -0.080 0.000 2.179 255 G HA2 -0.370 3.588 3.960 -0.004 0.000 0.260 255 G HA3 -0.370 3.588 3.960 -0.004 0.000 0.260 255 G C 1.171 176.098 174.900 0.045 0.000 0.977 255 G CA 0.882 45.983 45.100 0.002 0.000 0.641 255 G HN 0.713 nan 8.290 nan 0.000 0.533 256 S N -1.231 114.458 115.700 -0.019 0.000 2.528 256 S HA 0.427 4.894 4.470 -0.004 0.000 0.219 256 S C 0.740 175.362 174.600 0.036 0.000 0.985 256 S CA 1.089 59.296 58.200 0.011 0.000 0.914 256 S CB 0.570 63.762 63.200 -0.013 0.000 0.776 256 S HN 0.555 nan 8.310 nan 0.000 0.526 257 K N 0.234 120.640 120.400 0.010 0.000 2.464 257 K HA 0.601 4.919 4.320 -0.004 0.000 0.253 257 K C -2.030 174.647 176.600 0.129 0.000 0.933 257 K CA -0.698 55.631 56.287 0.069 0.000 0.801 257 K CB 2.209 34.733 32.500 0.041 0.000 1.271 257 K HN 0.099 nan 8.250 nan 0.000 0.430 258 L N 2.348 123.677 121.223 0.177 0.000 2.305 258 L HA 0.620 4.958 4.340 -0.004 0.000 0.284 258 L C -0.929 176.183 176.870 0.403 0.000 1.013 258 L CA -0.149 54.783 54.840 0.154 0.000 0.819 258 L CB 1.424 43.431 42.059 -0.088 0.000 1.227 258 L HN 0.795 nan 8.230 nan 0.000 0.417 259 A N 4.655 127.740 122.820 0.442 0.000 2.293 259 A HA 0.866 5.183 4.320 -0.004 0.000 0.302 259 A C -0.878 176.842 177.584 0.226 0.000 1.119 259 A CA -0.233 51.894 52.037 0.150 0.000 0.823 259 A CB 0.393 19.297 19.000 -0.160 0.000 1.097 259 A HN 0.794 nan 8.150 nan 0.000 0.491 260 F N -2.101 117.839 119.950 -0.018 0.000 2.858 260 F HA 0.731 5.256 4.527 -0.004 0.000 0.319 260 F C -0.437 175.382 175.800 0.032 0.000 1.166 260 F CA -0.787 57.205 58.000 -0.014 0.000 0.899 260 F CB 0.989 39.961 39.000 -0.046 0.000 1.332 260 F HN 0.819 nan 8.300 nan 0.000 0.461 261 A N 1.670 124.646 122.820 0.260 0.000 2.342 261 A HA 0.877 5.195 4.320 -0.004 0.000 0.323 261 A C -1.552 176.177 177.584 0.241 0.000 1.125 261 A CA -0.809 51.348 52.037 0.200 0.000 0.785 261 A CB 1.246 20.345 19.000 0.165 0.000 1.221 261 A HN 0.788 nan 8.150 nan 0.000 0.463 262 L N 1.838 123.175 121.223 0.191 0.000 2.362 262 L HA 0.483 4.820 4.340 -0.004 0.000 0.271 262 L C 0.836 177.761 176.870 0.093 0.000 1.002 262 L CA -0.487 54.367 54.840 0.023 0.000 0.818 262 L CB 2.552 44.347 42.059 -0.440 0.000 1.298 262 L HN 0.860 nan 8.230 nan 0.000 0.420 263 S N -0.640 115.114 115.700 0.090 0.000 2.593 263 S HA 0.005 4.472 4.470 -0.004 0.000 0.236 263 S C 1.235 175.864 174.600 0.049 0.000 0.991 263 S CA -0.522 57.733 58.200 0.092 0.000 0.963 263 S CB -0.059 63.214 63.200 0.121 0.000 0.865 263 S HN 0.758 nan 8.310 nan 0.000 0.488 264 K N 1.903 122.303 120.400 -0.001 0.000 2.218 264 K HA -0.177 4.140 4.320 -0.004 0.000 0.205 264 K C 1.717 178.311 176.600 -0.010 0.000 1.046 264 K CA 1.976 58.254 56.287 -0.016 0.000 0.933 264 K CB -1.316 31.128 32.500 -0.093 0.000 0.728 264 K HN 0.510 nan 8.250 nan 0.000 0.454 265 T N -3.783 110.773 114.554 0.004 0.000 3.085 265 T HA 0.233 4.581 4.350 -0.004 0.000 0.263 265 T C 1.494 176.202 174.700 0.013 0.000 1.127 265 T CA 0.556 62.663 62.100 0.010 0.000 1.103 265 T CB 0.244 69.127 68.868 0.024 0.000 0.921 265 T HN 0.545 nan 8.240 nan 0.000 0.510 266 G N 0.561 109.374 108.800 0.021 0.000 2.336 266 G HA2 -0.040 3.918 3.960 -0.004 0.000 0.194 266 G HA3 -0.040 3.918 3.960 -0.004 0.000 0.194 266 G C 0.201 175.115 174.900 0.022 0.000 0.999 266 G CA 0.142 45.254 45.100 0.019 0.000 0.669 266 G HN 1.438 nan 8.290 nan 0.000 0.482 267 S N -0.788 114.928 115.700 0.026 0.000 2.625 267 S HA 0.775 5.243 4.470 -0.004 0.000 0.271 267 S C -0.654 173.974 174.600 0.046 0.000 1.161 267 S CA -0.933 57.283 58.200 0.028 0.000 0.820 267 S CB 1.785 64.991 63.200 0.010 0.000 1.137 267 S HN 0.741 nan 8.310 nan 0.000 0.470 268 L N 2.217 123.471 121.223 0.052 0.000 2.319 268 L HA 0.483 4.821 4.340 -0.004 0.000 0.280 268 L C 0.163 177.059 176.870 0.043 0.000 1.099 268 L CA -0.214 54.674 54.840 0.080 0.000 0.828 268 L CB 0.317 42.429 42.059 0.089 0.000 1.150 268 L HN 0.623 nan 8.230 nan 0.000 0.442 269 N N 3.010 121.752 118.700 0.070 0.000 2.321 269 N HA 0.535 5.273 4.740 -0.004 0.000 0.290 269 N C -1.029 174.394 175.510 -0.145 0.000 1.212 269 N CA -0.651 52.352 53.050 -0.078 0.000 0.767 269 N CB 2.498 40.903 38.487 -0.136 0.000 1.494 269 N HN 0.334 nan 8.380 nan 0.000 0.479 270 L N 1.841 122.810 121.223 -0.424 0.000 2.326 270 L HA 0.395 4.733 4.340 -0.004 0.000 0.278 270 L C -0.867 175.563 176.870 -0.733 0.000 1.092 270 L CA -0.238 54.314 54.840 -0.480 0.000 0.810 270 L CB 0.171 41.857 42.059 -0.621 0.000 1.153 270 L HN 0.426 nan 8.230 nan 0.000 0.439 271 Y N 1.285 121.223 120.300 -0.604 0.000 2.576 271 Y HA 0.616 5.163 4.550 -0.004 0.000 0.346 271 Y C -0.264 175.160 175.900 -0.793 0.000 1.018 271 Y CA -0.919 56.764 58.100 -0.696 0.000 1.050 271 Y CB 2.223 40.175 38.460 -0.847 0.000 1.280 271 Y HN 0.087 nan 8.280 nan 0.000 0.474 272 V N 3.377 123.106 119.914 -0.308 0.000 2.588 272 V HA 0.403 4.520 4.120 -0.004 0.000 0.304 272 V C -0.608 175.540 176.094 0.090 0.000 1.042 272 V CA -0.933 61.309 62.300 -0.097 0.000 0.877 272 V CB 1.895 33.745 31.823 0.045 0.000 0.996 272 V HN 0.808 nan 8.190 nan 0.000 0.425 273 M N 3.900 123.676 119.600 0.293 0.000 2.157 273 M HA 0.433 4.910 4.480 -0.004 0.000 0.354 273 M C -0.361 176.043 176.300 0.173 0.000 1.170 273 M CA -0.536 54.927 55.300 0.272 0.000 1.060 273 M CB 0.996 33.792 32.600 0.328 0.000 1.615 273 M HN 0.749 nan 8.290 nan 0.000 0.460 274 D N 5.120 125.595 120.400 0.125 0.000 2.349 274 D HA 0.056 4.694 4.640 -0.004 0.000 0.266 274 D C 0.888 177.238 176.300 0.082 0.000 1.293 274 D CA 0.235 54.289 54.000 0.091 0.000 0.926 274 D CB 0.428 41.270 40.800 0.071 0.000 1.090 274 D HN 0.766 nan 8.370 nan 0.000 0.502 275 L N 3.595 124.867 121.223 0.082 0.000 2.083 275 L HA -0.181 4.157 4.340 -0.004 0.000 0.209 275 L C 2.470 179.374 176.870 0.057 0.000 1.083 275 L CA 1.178 56.064 54.840 0.077 0.000 0.752 275 L CB -0.424 41.699 42.059 0.107 0.000 0.899 275 L HN 0.472 nan 8.230 nan 0.000 0.433 276 A N 0.336 123.186 122.820 0.050 0.000 1.873 276 A HA -0.259 4.059 4.320 -0.004 0.000 0.218 276 A C 2.480 180.083 177.584 0.032 0.000 1.193 276 A CA 2.583 54.642 52.037 0.037 0.000 0.629 276 A CB -0.641 18.378 19.000 0.031 0.000 0.826 276 A HN 0.540 nan 8.150 nan 0.000 0.447 277 S N -3.219 112.502 115.700 0.036 0.000 2.483 277 S HA 0.410 4.877 4.470 -0.004 0.000 0.221 277 S C 1.540 176.160 174.600 0.032 0.000 1.030 277 S CA 1.138 59.356 58.200 0.031 0.000 0.925 277 S CB 0.125 63.345 63.200 0.033 0.000 0.795 277 S HN 2.006 nan 8.310 nan 0.000 0.511 278 G N 1.001 109.826 108.800 0.042 0.000 2.176 278 G HA2 -0.259 3.698 3.960 -0.004 0.000 0.253 278 G HA3 -0.259 3.698 3.960 -0.004 0.000 0.253 278 G C -0.143 174.798 174.900 0.068 0.000 0.979 278 G CA 0.091 45.218 45.100 0.045 0.000 0.641 278 G HN 0.605 nan 8.290 nan 0.000 0.530 279 Q N -0.210 119.632 119.800 0.069 0.000 2.337 279 Q HA 0.516 4.853 4.340 -0.004 0.000 0.270 279 Q C 0.337 176.404 176.000 0.111 0.000 1.002 279 Q CA 0.401 56.251 55.803 0.079 0.000 0.888 279 Q CB 0.901 29.676 28.738 0.061 0.000 1.222 279 Q HN 0.526 nan 8.270 nan 0.000 0.400 280 I N 3.027 123.674 120.570 0.128 0.000 2.362 280 I HA 0.356 4.524 4.170 -0.004 0.000 0.289 280 I C -0.056 176.127 176.117 0.110 0.000 0.994 280 I CA -0.468 60.929 61.300 0.162 0.000 1.158 280 I CB 1.296 39.432 38.000 0.226 0.000 1.315 280 I HN 0.407 nan 8.210 nan 0.000 0.451 281 R N 4.391 124.933 120.500 0.070 0.000 2.604 281 R HA 0.412 4.750 4.340 -0.004 0.000 0.287 281 R C -0.614 175.654 176.300 -0.055 0.000 0.970 281 R CA -0.769 55.338 56.100 0.012 0.000 0.946 281 R CB 1.985 32.273 30.300 -0.020 0.000 1.127 281 R HN 0.542 nan 8.270 nan 0.000 0.473 282 Q N 1.804 121.513 119.800 -0.152 0.000 2.274 282 Q HA 0.202 4.539 4.340 -0.004 0.000 0.256 282 Q C -0.274 175.448 176.000 -0.463 0.000 0.927 282 Q CA -0.298 55.187 55.803 -0.531 0.000 0.939 282 Q CB 1.541 30.009 28.738 -0.450 0.000 1.201 282 Q HN 0.486 nan 8.270 nan 0.000 0.426 283 V N 2.440 122.008 119.914 -0.575 0.000 3.263 283 V HA 0.075 4.192 4.120 -0.004 0.000 0.248 283 V C 0.622 176.474 176.094 -0.404 0.000 1.145 283 V CA 1.262 63.317 62.300 -0.409 0.000 1.107 283 V CB 0.946 32.526 31.823 -0.405 0.000 0.797 283 V HN 0.949 nan 8.190 nan 0.000 0.467 284 T N -2.917 111.340 114.554 -0.495 0.000 2.907 284 T HA 0.596 4.944 4.350 -0.004 0.000 0.292 284 T C -0.817 173.683 174.700 -0.334 0.000 1.043 284 T CA -0.418 61.459 62.100 -0.371 0.000 1.003 284 T CB 2.609 71.243 68.868 -0.391 0.000 1.084 284 T HN 0.008 nan 8.240 nan 0.000 0.483 285 D N 0.463 120.734 120.400 -0.214 0.000 2.940 285 D HA 0.345 4.983 4.640 -0.004 0.000 0.366 285 D C 0.489 176.726 176.300 -0.105 0.000 1.446 285 D CA -0.265 53.637 54.000 -0.164 0.000 0.780 285 D CB 0.004 40.720 40.800 -0.140 0.000 1.206 285 D HN 0.916 nan 8.370 nan 0.000 0.454 286 G N -0.345 108.396 108.800 -0.099 0.000 2.521 286 G HA2 0.370 4.328 3.960 -0.004 0.000 0.323 286 G HA3 0.370 4.328 3.960 -0.004 0.000 0.323 286 G C 0.661 175.531 174.900 -0.050 0.000 1.211 286 G CA -0.631 44.429 45.100 -0.067 0.000 0.979 286 G HN 0.153 nan 8.290 nan 0.000 0.490 287 R N -0.538 119.939 120.500 -0.037 0.000 2.280 287 R HA 0.142 4.479 4.340 -0.004 0.000 0.195 287 R C 1.461 177.747 176.300 -0.024 0.000 0.935 287 R CA 0.335 56.420 56.100 -0.025 0.000 1.033 287 R CB 0.212 30.501 30.300 -0.019 0.000 0.964 287 R HN 0.540 nan 8.270 nan 0.000 0.489 288 S N 0.806 116.485 115.700 -0.035 0.000 2.608 288 S HA 0.139 4.606 4.470 -0.004 0.000 0.261 288 S C 0.095 174.680 174.600 -0.025 0.000 1.314 288 S CA -0.791 57.386 58.200 -0.038 0.000 0.992 288 S CB 0.731 63.889 63.200 -0.069 0.000 0.935 288 S HN 0.070 nan 8.310 nan 0.000 0.564 289 N N 2.353 121.044 118.700 -0.015 0.000 2.444 289 N HA 0.257 4.995 4.740 -0.004 0.000 0.271 289 N C -1.055 174.470 175.510 0.026 0.000 1.069 289 N CA -0.224 52.830 53.050 0.007 0.000 0.965 289 N CB 0.408 38.904 38.487 0.014 0.000 1.092 289 N HN 0.573 nan 8.380 nan 0.000 0.476 290 N N 1.053 119.781 118.700 0.046 0.000 2.448 290 N HA 0.312 5.050 4.740 -0.004 0.000 0.279 290 N C -0.445 175.120 175.510 0.093 0.000 1.025 290 N CA -0.177 52.946 53.050 0.123 0.000 0.898 290 N CB 2.413 40.903 38.487 0.006 0.000 1.303 290 N HN 0.469 nan 8.380 nan 0.000 0.495 291 T N -0.344 114.314 114.554 0.174 0.000 2.626 291 T HA 0.209 4.557 4.350 -0.004 0.000 0.299 291 T C -1.192 173.601 174.700 0.156 0.000 1.181 291 T CA -0.270 61.906 62.100 0.128 0.000 1.053 291 T CB 0.419 69.362 68.868 0.125 0.000 1.566 291 T HN 0.585 nan 8.240 nan 0.000 0.486 292 E N 1.068 121.349 120.200 0.134 0.000 2.228 292 E HA -0.119 4.229 4.350 -0.004 0.000 0.213 292 E C -2.492 174.175 176.600 0.113 0.000 1.282 292 E CA 0.233 56.711 56.400 0.129 0.000 0.707 292 E CB -0.999 28.775 29.700 0.124 0.000 1.150 292 E HN 0.374 nan 8.360 nan 0.000 0.362 293 P HA 0.097 nan 4.420 nan 0.000 0.277 293 P C -0.270 176.997 177.300 -0.054 0.000 1.240 293 P CA -0.035 63.052 63.100 -0.021 0.000 0.798 293 P CB 1.847 33.431 31.700 -0.192 0.000 0.979 294 T N 1.484 115.976 114.554 -0.103 0.000 2.952 294 T HA 0.443 4.791 4.350 -0.004 0.000 0.305 294 T C -1.676 172.937 174.700 -0.144 0.000 1.064 294 T CA -0.529 61.527 62.100 -0.073 0.000 1.008 294 T CB 0.414 69.265 68.868 -0.030 0.000 1.078 294 T HN 0.217 nan 8.240 nan 0.000 0.459 295 W N 3.936 125.243 121.300 0.011 0.000 2.315 295 W HA 0.595 5.253 4.660 -0.004 0.000 0.316 295 W C 0.006 176.495 176.519 -0.050 0.000 1.211 295 W CA -0.822 56.556 57.345 0.055 0.000 1.201 295 W CB 0.503 30.015 29.460 0.088 0.000 1.184 295 W HN 0.532 nan 8.180 nan 0.000 0.544 296 F N 3.804 123.939 119.950 0.308 0.000 2.403 296 F HA 0.145 4.670 4.527 -0.004 0.000 0.320 296 F C -0.824 175.096 175.800 0.200 0.000 1.176 296 F CA -1.789 56.329 58.000 0.197 0.000 1.206 296 F CB -0.186 38.901 39.000 0.145 0.000 1.235 296 F HN 0.222 nan 8.300 nan 0.000 0.565 297 P HA -0.145 nan 4.420 nan 0.000 0.222 297 P C 0.584 177.976 177.300 0.154 0.000 1.147 297 P CA 1.312 64.513 63.100 0.169 0.000 0.790 297 P CB -0.145 31.629 31.700 0.123 0.000 0.780 298 D N -1.908 118.612 120.400 0.201 0.000 2.363 298 D HA -0.018 4.620 4.640 -0.004 0.000 0.226 298 D C 0.265 176.643 176.300 0.130 0.000 1.020 298 D CA 0.148 54.231 54.000 0.139 0.000 0.892 298 D CB -0.921 39.954 40.800 0.125 0.000 0.900 298 D HN -0.139 nan 8.370 nan 0.000 0.531 299 S N -0.831 114.968 115.700 0.164 0.000 3.521 299 S HA -0.189 4.279 4.470 -0.004 0.000 0.328 299 S C 0.740 175.479 174.600 0.233 0.000 1.165 299 S CA 1.001 59.201 58.200 -0.001 0.000 0.941 299 S CB -1.005 62.077 63.200 -0.196 0.000 0.951 299 S HN 0.480 nan 8.310 nan 0.000 0.539 300 Q N -0.793 119.246 119.800 0.399 0.000 2.215 300 Q HA 0.283 4.621 4.340 -0.004 0.000 0.257 300 Q C 0.061 176.237 176.000 0.294 0.000 0.792 300 Q CA 0.154 56.152 55.803 0.325 0.000 0.958 300 Q CB 0.415 29.244 28.738 0.153 0.000 1.158 300 Q HN 0.535 nan 8.270 nan 0.000 0.490 301 N N 0.656 119.553 118.700 0.328 0.000 2.269 301 N HA 0.536 5.273 4.740 -0.004 0.000 0.304 301 N C -0.967 174.757 175.510 0.356 0.000 1.072 301 N CA -0.276 52.886 53.050 0.188 0.000 0.802 301 N CB 2.264 40.701 38.487 -0.084 0.000 1.348 301 N HN -0.033 nan 8.380 nan 0.000 0.484 302 L N 1.100 122.433 121.223 0.183 0.000 2.346 302 L HA 0.714 5.052 4.340 -0.004 0.000 0.274 302 L C 0.244 177.382 176.870 0.448 0.000 1.007 302 L CA -0.942 53.971 54.840 0.121 0.000 0.818 302 L CB 1.833 43.745 42.059 -0.244 0.000 1.284 302 L HN 0.453 nan 8.230 nan 0.000 0.424 303 A N 2.308 125.339 122.820 0.352 0.000 2.295 303 A HA 0.910 5.227 4.320 -0.004 0.000 0.318 303 A C -0.873 176.897 177.584 0.309 0.000 1.134 303 A CA -0.217 52.003 52.037 0.304 0.000 0.827 303 A CB 0.753 19.797 19.000 0.072 0.000 1.136 303 A HN 0.613 nan 8.150 nan 0.000 0.493 304 F N -1.782 118.185 119.950 0.029 0.000 2.779 304 F HA 0.679 5.203 4.527 -0.004 0.000 0.316 304 F C -0.534 175.288 175.800 0.036 0.000 1.164 304 F CA -0.892 57.107 58.000 -0.003 0.000 0.924 304 F CB 0.773 39.745 39.000 -0.047 0.000 1.348 304 F HN 0.352 nan 8.300 nan 0.000 0.467 305 T N 1.418 116.048 114.554 0.128 0.000 2.799 305 T HA 0.573 4.921 4.350 -0.004 0.000 0.286 305 T C -0.667 174.043 174.700 0.017 0.000 0.973 305 T CA -0.440 61.664 62.100 0.007 0.000 1.035 305 T CB 1.157 70.056 68.868 0.053 0.000 0.932 305 T HN 0.783 nan 8.240 nan 0.000 0.469 306 S N 1.115 116.728 115.700 -0.146 0.000 2.548 306 S HA 0.440 4.908 4.470 -0.004 0.000 0.286 306 S C -0.433 174.088 174.600 -0.131 0.000 1.098 306 S CA -0.878 57.204 58.200 -0.197 0.000 0.930 306 S CB 1.141 63.966 63.200 -0.626 0.000 1.070 306 S HN 0.792 nan 8.310 nan 0.000 0.480 307 D N 1.948 122.292 120.400 -0.093 0.000 2.427 307 D HA 0.036 4.673 4.640 -0.004 0.000 0.224 307 D C 1.257 177.518 176.300 -0.065 0.000 1.157 307 D CA -0.180 53.787 54.000 -0.054 0.000 0.828 307 D CB -0.162 40.622 40.800 -0.027 0.000 0.974 307 D HN 0.700 nan 8.370 nan 0.000 0.498 308 Q N -0.078 119.638 119.800 -0.141 0.000 2.291 308 Q HA -0.038 4.300 4.340 -0.004 0.000 0.205 308 Q C 1.471 177.462 176.000 -0.016 0.000 0.970 308 Q CA 1.395 57.136 55.803 -0.104 0.000 0.876 308 Q CB -0.160 28.469 28.738 -0.182 0.000 0.935 308 Q HN 0.221 nan 8.270 nan 0.000 0.455 309 A N -0.031 122.810 122.820 0.036 0.000 2.345 309 A HA 0.584 4.901 4.320 -0.004 0.000 0.225 309 A C 1.163 178.765 177.584 0.030 0.000 1.243 309 A CA 0.485 52.561 52.037 0.065 0.000 0.875 309 A CB 0.004 19.064 19.000 0.100 0.000 0.929 309 A HN 0.642 nan 8.150 nan 0.000 0.502 310 G N 0.012 108.820 108.800 0.012 0.000 2.955 310 G HA2 -0.161 3.796 3.960 -0.004 0.000 0.230 310 G HA3 -0.161 3.796 3.960 -0.004 0.000 0.230 310 G C -0.056 174.843 174.900 -0.002 0.000 1.587 310 G CA -0.395 44.708 45.100 0.005 0.000 1.216 310 G HN 0.490 nan 8.290 nan 0.000 0.527 311 R N 1.959 122.457 120.500 -0.003 0.000 2.679 311 R HA 0.352 4.690 4.340 -0.004 0.000 0.268 311 R C -2.359 173.932 176.300 -0.015 0.000 1.044 311 R CA -0.933 55.161 56.100 -0.011 0.000 1.105 311 R CB 0.068 30.359 30.300 -0.014 0.000 0.989 311 R HN 0.230 nan 8.270 nan 0.000 0.447 312 P HA -0.059 nan 4.420 nan 0.000 0.266 312 P C -0.545 176.735 177.300 -0.033 0.000 1.193 312 P CA 0.619 63.708 63.100 -0.017 0.000 0.770 312 P CB 0.641 32.330 31.700 -0.018 0.000 0.836 313 Q N 0.508 120.299 119.800 -0.015 0.000 2.501 313 Q HA 0.463 4.801 4.340 -0.004 0.000 0.288 313 Q C -1.102 174.858 176.000 -0.066 0.000 1.051 313 Q CA -0.924 54.819 55.803 -0.100 0.000 0.788 313 Q CB 1.912 30.522 28.738 -0.212 0.000 1.469 313 Q HN 0.074 nan 8.270 nan 0.000 0.416 314 V N 1.417 121.209 119.914 -0.203 0.000 2.539 314 V HA 0.465 4.583 4.120 -0.004 0.000 0.292 314 V C -0.949 174.935 176.094 -0.350 0.000 1.045 314 V CA -0.300 61.881 62.300 -0.197 0.000 0.945 314 V CB 0.653 32.382 31.823 -0.158 0.000 0.993 314 V HN 0.587 nan 8.190 nan 0.000 0.464 315 Y N 2.258 122.204 120.300 -0.590 0.000 2.634 315 Y HA 0.648 5.196 4.550 -0.004 0.000 0.340 315 Y C 0.040 175.734 175.900 -0.343 0.000 1.058 315 Y CA -1.070 56.683 58.100 -0.577 0.000 1.081 315 Y CB 2.032 39.913 38.460 -0.965 0.000 1.295 315 Y HN 0.509 nan 8.280 nan 0.000 0.487 316 K N 0.979 121.435 120.400 0.094 0.000 2.426 316 K HA 0.843 5.160 4.320 -0.004 0.000 0.251 316 K C -2.249 174.536 176.600 0.308 0.000 0.941 316 K CA -0.755 55.683 56.287 0.252 0.000 0.808 316 K CB 2.443 35.029 32.500 0.145 0.000 1.265 316 K HN 0.525 nan 8.250 nan 0.000 0.432 317 V N 2.544 122.635 119.914 0.294 0.000 3.048 317 V HA 0.309 4.426 4.120 -0.004 0.000 0.303 317 V C -1.503 174.616 176.094 0.042 0.000 1.214 317 V CA -0.927 61.470 62.300 0.162 0.000 0.984 317 V CB 2.222 34.145 31.823 0.167 0.000 1.054 317 V HN 1.000 nan 8.190 nan 0.000 0.430 318 N N 2.936 121.639 118.700 0.005 0.000 2.514 318 N HA 0.332 5.069 4.740 -0.004 0.000 0.277 318 N C 1.303 176.798 175.510 -0.025 0.000 1.126 318 N CA 0.002 53.049 53.050 -0.005 0.000 0.978 318 N CB 1.171 39.655 38.487 -0.006 0.000 1.106 318 N HN 0.716 nan 8.380 nan 0.000 0.461 319 I N 0.210 120.777 120.570 -0.005 0.000 2.916 319 I HA -0.031 4.137 4.170 -0.004 0.000 0.267 319 I C 0.429 176.530 176.117 -0.027 0.000 1.263 319 I CA 0.826 62.105 61.300 -0.033 0.000 1.471 319 I CB -0.169 37.850 38.000 0.033 0.000 1.089 319 I HN 0.452 nan 8.210 nan 0.000 0.468 320 N N 1.709 120.405 118.700 -0.005 0.000 2.336 320 N HA 0.255 4.993 4.740 -0.004 0.000 0.189 320 N C 0.775 176.272 175.510 -0.021 0.000 1.113 320 N CA 0.974 54.020 53.050 -0.006 0.000 0.858 320 N CB 0.960 39.453 38.487 0.010 0.000 0.970 320 N HN 0.653 nan 8.380 nan 0.000 0.471 321 G N -0.939 107.842 108.800 -0.033 0.000 2.354 321 G HA2 0.380 4.338 3.960 -0.004 0.000 0.582 321 G HA3 0.380 4.338 3.960 -0.004 0.000 0.582 321 G C -0.511 174.376 174.900 -0.022 0.000 1.316 321 G CA -0.182 44.897 45.100 -0.036 0.000 0.995 321 G HN 0.511 nan 8.290 nan 0.000 0.573 322 G N -1.663 107.127 108.800 -0.016 0.000 2.650 322 G HA2 0.538 4.496 3.960 -0.004 0.000 0.686 322 G HA3 0.538 4.496 3.960 -0.004 0.000 0.686 322 G C 0.214 175.120 174.900 0.009 0.000 1.205 322 G CA 0.823 45.923 45.100 -0.001 0.000 0.781 322 G HN 2.554 nan 8.290 nan 0.000 0.648 323 A N 2.431 125.267 122.820 0.027 0.000 2.440 323 A HA 0.750 5.068 4.320 -0.004 0.000 0.251 323 A C -1.233 176.411 177.584 0.100 0.000 1.089 323 A CA -0.591 51.476 52.037 0.051 0.000 0.779 323 A CB -0.134 18.898 19.000 0.052 0.000 1.022 323 A HN 0.718 nan 8.150 nan 0.000 0.492 324 P HA 0.104 nan 4.420 nan 0.000 0.267 324 P C -0.501 176.958 177.300 0.265 0.000 1.200 324 P CA 0.164 63.430 63.100 0.277 0.000 0.772 324 P CB 0.397 32.331 31.700 0.389 0.000 0.855 325 Q N 2.168 122.102 119.800 0.224 0.000 2.337 325 Q HA 0.309 4.647 4.340 -0.004 0.000 0.266 325 Q C -0.358 175.598 176.000 -0.072 0.000 1.023 325 Q CA -1.022 54.855 55.803 0.123 0.000 0.829 325 Q CB 1.294 30.078 28.738 0.078 0.000 1.306 325 Q HN 0.279 nan 8.270 nan 0.000 0.449 326 R N 3.504 123.787 120.500 -0.361 0.000 2.590 326 R HA 0.135 4.473 4.340 -0.004 0.000 0.274 326 R C 0.698 176.720 176.300 -0.463 0.000 1.061 326 R CA 0.501 55.973 56.100 -1.047 0.000 1.081 326 R CB 0.311 29.951 30.300 -1.100 0.000 0.984 326 R HN 0.840 nan 8.270 nan 0.000 0.448 327 I N -1.138 119.096 120.570 -0.560 0.000 4.557 327 I HA 0.222 4.390 4.170 -0.004 0.000 0.333 327 I C -0.345 175.581 176.117 -0.318 0.000 1.332 327 I CA -0.582 60.612 61.300 -0.178 0.000 1.240 327 I CB 1.052 39.036 38.000 -0.026 0.000 1.312 327 I HN 0.419 nan 8.210 nan 0.000 0.457 328 T N -2.663 111.431 114.554 -0.766 0.000 2.797 328 T HA 0.480 4.828 4.350 -0.004 0.000 0.279 328 T C -0.747 173.353 174.700 -1.001 0.000 0.991 328 T CA -0.405 61.332 62.100 -0.605 0.000 0.979 328 T CB 1.334 69.995 68.868 -0.345 0.000 0.943 328 T HN 0.434 nan 8.240 nan 0.000 0.444 329 W N -0.046 121.214 121.300 -0.066 0.000 2.355 329 W HA 0.338 4.996 4.660 -0.004 0.000 0.303 329 W C 0.673 177.173 176.519 -0.032 0.000 0.939 329 W CA -0.618 56.696 57.345 -0.053 0.000 1.377 329 W CB 0.559 29.989 29.460 -0.050 0.000 1.048 329 W HN 0.650 nan 8.180 nan 0.000 0.542 330 E N 1.557 121.827 120.200 0.117 0.000 2.283 330 E HA 0.457 4.805 4.350 -0.004 0.000 0.278 330 E C 0.922 177.546 176.600 0.040 0.000 1.027 330 E CA 0.960 57.408 56.400 0.080 0.000 0.843 330 E CB 0.890 30.628 29.700 0.064 0.000 1.062 330 E HN 0.160 nan 8.360 nan 0.000 0.401 331 G N 3.321 112.146 108.800 0.042 0.000 2.593 331 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.237 331 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.237 331 G C 0.409 175.320 174.900 0.018 0.000 1.312 331 G CA 0.271 45.387 45.100 0.026 0.000 0.896 331 G HN 0.886 nan 8.290 nan 0.000 0.574 332 S N -1.030 114.674 115.700 0.006 0.000 2.523 332 S HA 0.515 4.983 4.470 -0.004 0.000 0.217 332 S C 0.520 175.109 174.600 -0.019 0.000 0.996 332 S CA 1.281 59.481 58.200 0.000 0.000 0.921 332 S CB 0.791 63.994 63.200 0.004 0.000 0.829 332 S HN 1.330 nan 8.310 nan 0.000 0.495 333 Q N 0.452 120.234 119.800 -0.030 0.000 2.468 333 Q HA 0.388 4.726 4.340 -0.004 0.000 0.263 333 Q C -2.337 173.632 176.000 -0.051 0.000 0.979 333 Q CA -0.534 55.243 55.803 -0.043 0.000 0.932 333 Q CB 1.128 29.846 28.738 -0.033 0.000 1.462 333 Q HN 0.303 nan 8.270 nan 0.000 0.403 334 N N 3.018 121.678 118.700 -0.067 0.000 2.277 334 N HA 0.431 5.168 4.740 -0.004 0.000 0.286 334 N C -1.686 173.790 175.510 -0.057 0.000 1.140 334 N CA -0.366 52.645 53.050 -0.066 0.000 0.799 334 N CB 2.415 40.845 38.487 -0.095 0.000 1.596 334 N HN 0.740 nan 8.380 nan 0.000 0.473 335 Q N -0.386 119.391 119.800 -0.038 0.000 2.829 335 Q HA 0.255 4.593 4.340 -0.004 0.000 0.296 335 Q C -1.781 174.221 176.000 0.003 0.000 0.893 335 Q CA -0.568 55.224 55.803 -0.018 0.000 0.772 335 Q CB 1.347 30.080 28.738 -0.009 0.000 1.489 335 Q HN 0.369 nan 8.270 nan 0.000 0.420 336 D N -0.768 119.648 120.400 0.028 0.000 2.778 336 D HA -0.133 4.505 4.640 -0.004 0.000 0.246 336 D C -1.182 175.149 176.300 0.052 0.000 1.107 336 D CA 1.295 55.328 54.000 0.056 0.000 0.732 336 D CB -0.978 39.857 40.800 0.057 0.000 1.055 336 D HN 0.908 nan 8.370 nan 0.000 0.429 337 A N 1.220 124.064 122.820 0.039 0.000 2.252 337 A HA 0.648 4.966 4.320 -0.004 0.000 0.305 337 A C -0.095 177.505 177.584 0.026 0.000 1.097 337 A CA -0.225 51.824 52.037 0.020 0.000 0.849 337 A CB 1.222 20.215 19.000 -0.013 0.000 1.142 337 A HN 0.318 nan 8.150 nan 0.000 0.499 338 D N -0.061 120.343 120.400 0.007 0.000 2.736 338 D HA 0.421 5.059 4.640 -0.004 0.000 0.243 338 D C -1.189 175.052 176.300 -0.097 0.000 1.304 338 D CA -0.152 53.845 54.000 -0.004 0.000 0.934 338 D CB 1.568 42.404 40.800 0.060 0.000 1.382 338 D HN 0.234 nan 8.370 nan 0.000 0.571 339 V N 3.336 123.139 119.914 -0.184 0.000 2.555 339 V HA 0.288 4.406 4.120 -0.004 0.000 0.286 339 V C 0.985 176.874 176.094 -0.341 0.000 1.044 339 V CA -0.486 61.615 62.300 -0.332 0.000 1.026 339 V CB 1.090 32.577 31.823 -0.560 0.000 0.981 339 V HN 0.734 nan 8.190 nan 0.000 0.480 340 S N 3.424 118.787 115.700 -0.561 0.000 2.576 340 S HA 0.035 4.502 4.470 -0.004 0.000 0.272 340 S C 1.428 175.827 174.600 -0.334 0.000 1.352 340 S CA 0.101 57.924 58.200 -0.628 0.000 1.021 340 S CB 0.923 63.325 63.200 -1.330 0.000 0.887 340 S HN 1.103 nan 8.310 nan 0.000 0.542 341 S N 0.013 115.569 115.700 -0.239 0.000 2.481 341 S HA -0.105 4.363 4.470 -0.004 0.000 0.231 341 S C 0.895 175.458 174.600 -0.061 0.000 0.996 341 S CA 0.746 58.874 58.200 -0.121 0.000 0.942 341 S CB -0.691 62.438 63.200 -0.118 0.000 0.768 341 S HN 0.912 nan 8.310 nan 0.000 0.520 342 D N -0.160 120.192 120.400 -0.079 0.000 2.349 342 D HA 0.276 4.914 4.640 -0.004 0.000 0.214 342 D C 1.432 177.734 176.300 0.003 0.000 1.063 342 D CA 0.467 54.461 54.000 -0.011 0.000 0.847 342 D CB -0.589 40.226 40.800 0.025 0.000 0.933 342 D HN 0.482 nan 8.370 nan 0.000 0.513 343 G N 0.890 109.661 108.800 -0.049 0.000 2.189 343 G HA2 -0.426 3.532 3.960 -0.004 0.000 0.267 343 G HA3 -0.426 3.532 3.960 -0.004 0.000 0.267 343 G C 1.107 176.036 174.900 0.049 0.000 0.975 343 G CA 0.683 45.802 45.100 0.032 0.000 0.644 343 G HN 0.470 nan 8.290 nan 0.000 0.537 344 K N -0.860 119.553 120.400 0.022 0.000 2.296 344 K HA 0.346 4.663 4.320 -0.004 0.000 0.200 344 K C 0.799 177.545 176.600 0.243 0.000 1.048 344 K CA 1.200 57.577 56.287 0.150 0.000 0.966 344 K CB 0.061 32.692 32.500 0.219 0.000 0.754 344 K HN 0.792 nan 8.250 nan 0.000 0.466 345 F N -0.815 119.151 119.950 0.028 0.000 2.745 345 F HA 0.479 5.004 4.527 -0.004 0.000 0.316 345 F C -1.267 174.522 175.800 -0.018 0.000 1.155 345 F CA -1.726 56.283 58.000 0.015 0.000 0.937 345 F CB 0.925 39.931 39.000 0.011 0.000 1.361 345 F HN -0.280 nan 8.300 nan 0.000 0.472 346 M N 2.150 121.850 119.600 0.166 0.000 2.619 346 M HA 0.871 5.349 4.480 -0.004 0.000 0.297 346 M C -1.423 174.999 176.300 0.203 0.000 1.229 346 M CA -1.161 54.157 55.300 0.030 0.000 0.860 346 M CB 2.322 34.897 32.600 -0.042 0.000 1.741 346 M HN 0.855 nan 8.290 nan 0.000 0.462 347 V N 0.305 120.298 119.914 0.131 0.000 2.881 347 V HA 0.917 5.035 4.120 -0.004 0.000 0.316 347 V C -0.436 175.692 176.094 0.057 0.000 1.070 347 V CA -0.669 61.703 62.300 0.120 0.000 0.976 347 V CB 1.786 33.692 31.823 0.138 0.000 1.038 347 V HN 1.191 nan 8.190 nan 0.000 0.446 348 M N 1.424 121.044 119.600 0.033 0.000 3.012 348 M HA 0.747 5.225 4.480 -0.004 0.000 0.272 348 M C -1.987 174.308 176.300 -0.008 0.000 1.187 348 M CA -0.842 54.466 55.300 0.013 0.000 0.813 348 M CB 1.885 34.486 32.600 0.001 0.000 1.626 348 M HN 0.358 nan 8.290 nan 0.000 0.507 349 V N 1.843 121.750 119.914 -0.013 0.000 2.347 349 V HA 0.558 4.676 4.120 -0.004 0.000 0.280 349 V C -0.449 175.625 176.094 -0.034 0.000 1.021 349 V CA -0.287 61.995 62.300 -0.031 0.000 0.847 349 V CB 1.384 33.188 31.823 -0.031 0.000 0.990 349 V HN 0.828 nan 8.190 nan 0.000 0.444 350 S N 3.232 118.913 115.700 -0.030 0.000 2.454 350 S HA 0.611 5.079 4.470 -0.004 0.000 0.306 350 S C -0.170 174.408 174.600 -0.037 0.000 1.100 350 S CA -0.537 57.649 58.200 -0.024 0.000 1.087 350 S CB 1.609 64.810 63.200 0.002 0.000 1.019 350 S HN 0.717 nan 8.310 nan 0.000 0.480 351 S N 3.112 118.787 115.700 -0.042 0.000 2.473 351 S HA 0.635 5.103 4.470 -0.004 0.000 0.307 351 S C -0.661 173.924 174.600 -0.025 0.000 1.094 351 S CA -0.902 57.264 58.200 -0.056 0.000 1.070 351 S CB 0.847 64.011 63.200 -0.060 0.000 1.019 351 S HN 0.769 nan 8.310 nan 0.000 0.480 352 N N -0.052 118.639 118.700 -0.015 0.000 2.446 352 N HA 0.534 5.272 4.740 -0.004 0.000 0.272 352 N C 0.074 175.593 175.510 0.016 0.000 1.127 352 N CA -0.327 52.728 53.050 0.009 0.000 0.896 352 N CB 1.603 40.107 38.487 0.029 0.000 1.658 352 N HN 0.778 nan 8.380 nan 0.000 0.483 353 G N 0.564 109.375 108.800 0.019 0.000 2.283 353 G HA2 -0.066 3.892 3.960 -0.004 0.000 0.280 353 G HA3 -0.066 3.892 3.960 -0.004 0.000 0.280 353 G C 0.973 175.889 174.900 0.027 0.000 1.029 353 G CA 1.088 46.204 45.100 0.027 0.000 0.840 353 G HN 1.599 nan 8.290 nan 0.000 0.505 354 G N -2.321 106.487 108.800 0.013 0.000 2.168 354 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.257 354 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.257 354 G C 0.250 175.155 174.900 0.008 0.000 0.997 354 G CA 1.326 46.434 45.100 0.013 0.000 0.708 354 G HN 1.047 nan 8.290 nan 0.000 0.520 355 Q N -0.459 119.328 119.800 -0.022 0.000 2.359 355 Q HA 0.636 4.974 4.340 -0.004 0.000 0.275 355 Q C 0.149 175.996 176.000 -0.254 0.000 1.082 355 Q CA -0.446 55.291 55.803 -0.110 0.000 0.849 355 Q CB 1.764 30.481 28.738 -0.035 0.000 1.377 355 Q HN 0.801 nan 8.270 nan 0.000 0.452 356 Q N 0.465 119.974 119.800 -0.485 0.000 2.289 356 Q HA 0.659 4.997 4.340 -0.004 0.000 0.270 356 Q C -1.446 174.162 176.000 -0.653 0.000 1.038 356 Q CA -0.598 54.953 55.803 -0.421 0.000 0.812 356 Q CB 1.875 30.466 28.738 -0.246 0.000 1.300 356 Q HN 0.662 nan 8.270 nan 0.000 0.427 357 H N 0.886 119.922 119.070 -0.058 0.000 2.946 357 H HA 0.489 5.043 4.556 -0.004 0.000 0.365 357 H C -0.547 174.700 175.328 -0.134 0.000 1.197 357 H CA -1.076 54.919 56.048 -0.088 0.000 1.131 357 H CB 1.554 31.283 29.762 -0.056 0.000 1.849 357 H HN 0.507 nan 8.280 nan 0.000 0.555 358 I N 1.585 122.101 120.570 -0.090 0.000 2.474 358 I HA 0.450 4.618 4.170 -0.004 0.000 0.287 358 I C 0.479 176.553 176.117 -0.071 0.000 1.048 358 I CA 0.085 61.284 61.300 -0.168 0.000 1.383 358 I CB 0.318 38.076 38.000 -0.403 0.000 1.412 358 I HN 0.666 nan 8.210 nan 0.000 0.531 359 A N 6.514 129.315 122.820 -0.032 0.000 2.527 359 A HA 0.734 5.051 4.320 -0.004 0.000 0.293 359 A C -0.659 176.936 177.584 0.018 0.000 1.117 359 A CA -0.790 51.243 52.037 -0.006 0.000 0.723 359 A CB 1.921 20.925 19.000 0.008 0.000 1.313 359 A HN 0.660 nan 8.150 nan 0.000 0.411 360 K N 0.758 121.170 120.400 0.021 0.000 2.292 360 K HA 0.539 4.857 4.320 -0.004 0.000 0.257 360 K C -0.900 175.738 176.600 0.062 0.000 0.940 360 K CA -0.296 56.025 56.287 0.056 0.000 0.811 360 K CB 1.493 33.978 32.500 -0.025 0.000 1.120 360 K HN 0.749 nan 8.250 nan 0.000 0.428 361 Q N 3.273 123.144 119.800 0.119 0.000 2.331 361 Q HA 0.127 4.465 4.340 -0.004 0.000 0.267 361 Q C -1.282 174.816 176.000 0.164 0.000 1.006 361 Q CA -0.812 55.056 55.803 0.109 0.000 0.818 361 Q CB 1.458 30.250 28.738 0.089 0.000 1.276 361 Q HN 0.629 nan 8.270 nan 0.000 0.450 362 D N 4.454 124.929 120.400 0.124 0.000 2.358 362 D HA 0.022 4.659 4.640 -0.004 0.000 0.258 362 D C 0.511 176.897 176.300 0.143 0.000 1.223 362 D CA 0.246 54.333 54.000 0.145 0.000 0.886 362 D CB 0.951 41.801 40.800 0.083 0.000 1.120 362 D HN 0.726 nan 8.370 nan 0.000 0.482 363 L N 3.434 124.758 121.223 0.169 0.000 2.492 363 L HA 0.015 4.352 4.340 -0.004 0.000 0.223 363 L C 2.255 179.206 176.870 0.135 0.000 1.132 363 L CA 0.372 55.310 54.840 0.162 0.000 0.850 363 L CB -0.028 42.155 42.059 0.206 0.000 0.966 363 L HN 0.436 nan 8.230 nan 0.000 0.454 364 A N -0.141 122.747 122.820 0.115 0.000 1.943 364 A HA -0.081 4.237 4.320 -0.004 0.000 0.213 364 A C 2.332 179.955 177.584 0.066 0.000 1.181 364 A CA 1.565 53.652 52.037 0.084 0.000 0.653 364 A CB -0.395 18.649 19.000 0.074 0.000 0.833 364 A HN 0.407 nan 8.150 nan 0.000 0.451 365 T N -5.637 108.957 114.554 0.067 0.000 3.015 365 T HA 0.411 4.759 4.350 -0.004 0.000 0.250 365 T C 1.512 176.243 174.700 0.051 0.000 1.057 365 T CA 1.199 63.327 62.100 0.047 0.000 1.066 365 T CB 0.305 69.196 68.868 0.038 0.000 0.959 365 T HN 1.632 nan 8.240 nan 0.000 0.488 366 G N 1.157 110.003 108.800 0.077 0.000 2.176 366 G HA2 -0.086 3.871 3.960 -0.004 0.000 0.253 366 G HA3 -0.086 3.871 3.960 -0.004 0.000 0.253 366 G C 0.524 175.473 174.900 0.081 0.000 0.979 366 G CA -0.030 45.128 45.100 0.096 0.000 0.641 366 G HN 1.055 nan 8.290 nan 0.000 0.530 367 G N -0.763 108.072 108.800 0.058 0.000 2.432 367 G HA2 0.545 4.502 3.960 -0.004 0.000 0.239 367 G HA3 0.545 4.502 3.960 -0.004 0.000 0.239 367 G C -0.159 174.767 174.900 0.043 0.000 1.291 367 G CA 0.613 45.738 45.100 0.042 0.000 0.863 367 G HN 1.093 nan 8.290 nan 0.000 0.560 368 V N 1.885 121.819 119.914 0.033 0.000 2.789 368 V HA 0.528 4.646 4.120 -0.004 0.000 0.311 368 V C -0.195 175.905 176.094 0.010 0.000 1.073 368 V CA -0.726 61.591 62.300 0.028 0.000 0.921 368 V CB 1.907 33.752 31.823 0.037 0.000 1.009 368 V HN 0.884 nan 8.190 nan 0.000 0.426 369 Q N 2.552 122.351 119.800 -0.002 0.000 2.304 369 Q HA 0.621 4.958 4.340 -0.004 0.000 0.270 369 Q C -1.758 174.233 176.000 -0.014 0.000 1.035 369 Q CA -0.516 55.279 55.803 -0.014 0.000 0.781 369 Q CB 2.406 31.124 28.738 -0.032 0.000 1.261 369 Q HN 0.573 nan 8.270 nan 0.000 0.444 370 V N 6.149 126.055 119.914 -0.014 0.000 2.488 370 V HA 0.073 4.191 4.120 -0.004 0.000 0.277 370 V C 1.063 177.134 176.094 -0.039 0.000 1.046 370 V CA 0.229 62.517 62.300 -0.021 0.000 0.986 370 V CB 1.002 32.813 31.823 -0.020 0.000 0.989 370 V HN 0.893 nan 8.190 nan 0.000 0.475 371 L N 3.405 124.600 121.223 -0.047 0.000 2.298 371 L HA 0.151 4.488 4.340 -0.004 0.000 0.209 371 L C 1.080 177.918 176.870 -0.053 0.000 1.084 371 L CA 0.527 55.342 54.840 -0.042 0.000 0.816 371 L CB 0.194 42.234 42.059 -0.031 0.000 0.967 371 L HN 0.789 nan 8.230 nan 0.000 0.460 372 S N -1.537 114.103 115.700 -0.099 0.000 2.566 372 S HA 0.420 4.887 4.470 -0.004 0.000 0.298 372 S C 0.276 174.736 174.600 -0.234 0.000 1.083 372 S CA -0.177 57.968 58.200 -0.091 0.000 0.978 372 S CB 1.970 65.096 63.200 -0.123 0.000 1.073 372 S HN 0.126 nan 8.310 nan 0.000 0.491 373 S N -0.316 115.288 115.700 -0.160 0.000 2.730 373 S HA 0.254 4.721 4.470 -0.004 0.000 0.244 373 S C 0.679 175.289 174.600 0.017 0.000 1.022 373 S CA -0.088 57.919 58.200 -0.321 0.000 1.014 373 S CB -0.778 62.318 63.200 -0.174 0.000 0.963 373 S HN 0.994 nan 8.310 nan 0.000 0.540 374 T N 0.017 114.699 114.554 0.214 0.000 2.732 374 T HA 0.547 4.894 4.350 -0.004 0.000 0.287 374 T C -0.410 174.542 174.700 0.420 0.000 0.993 374 T CA -0.565 61.718 62.100 0.305 0.000 0.966 374 T CB 0.132 69.187 68.868 0.312 0.000 1.047 374 T HN 0.186 nan 8.240 nan 0.000 0.527 375 F N 2.081 122.129 119.950 0.163 0.000 2.411 375 F HA 0.441 4.965 4.527 -0.004 0.000 0.355 375 F C 0.662 176.497 175.800 0.059 0.000 1.117 375 F CA -1.765 56.293 58.000 0.097 0.000 1.139 375 F CB -0.085 38.948 39.000 0.055 0.000 1.120 375 F HN 0.541 nan 8.300 nan 0.000 0.493 376 L N 5.402 126.252 121.223 -0.623 0.000 3.550 376 L HA -0.236 4.102 4.340 -0.004 0.000 0.523 376 L C -1.002 175.727 176.870 -0.235 0.000 1.312 376 L CA 0.361 54.816 54.840 -0.640 0.000 0.864 376 L CB -1.429 40.050 42.059 -0.966 0.000 1.592 376 L HN 0.634 nan 8.230 nan 0.000 0.859 377 D N 2.275 122.605 120.400 -0.117 0.000 2.350 377 D HA 0.520 5.158 4.640 -0.004 0.000 0.249 377 D C 0.711 177.018 176.300 0.012 0.000 1.119 377 D CA 0.310 54.352 54.000 0.070 0.000 0.886 377 D CB 1.152 41.970 40.800 0.029 0.000 1.195 377 D HN 0.601 nan 8.370 nan 0.000 0.437 378 E N -1.571 118.697 120.200 0.112 0.000 2.437 378 E HA 0.369 4.716 4.350 -0.004 0.000 0.280 378 E C -1.011 175.661 176.600 0.120 0.000 1.044 378 E CA -1.028 55.401 56.400 0.049 0.000 0.826 378 E CB 1.066 30.744 29.700 -0.038 0.000 1.358 378 E HN 0.245 nan 8.360 nan 0.000 0.459 379 T N -1.283 113.330 114.554 0.098 0.000 3.704 379 T HA -0.114 4.234 4.350 -0.004 0.000 0.388 379 T C -2.211 172.616 174.700 0.212 0.000 0.763 379 T CA 0.416 62.607 62.100 0.151 0.000 2.005 379 T CB -2.010 66.944 68.868 0.144 0.000 1.752 379 T HN 0.492 nan 8.240 nan 0.000 0.747 380 P HA 0.525 nan 4.420 nan 0.000 0.276 380 P C -0.313 177.133 177.300 0.244 0.000 1.230 380 P CA -0.178 63.068 63.100 0.242 0.000 0.776 380 P CB 1.708 33.494 31.700 0.143 0.000 0.888 381 S N 3.017 118.902 115.700 0.308 0.000 2.557 381 S HA 0.502 4.969 4.470 -0.004 0.000 0.291 381 S C -0.621 174.173 174.600 0.323 0.000 1.116 381 S CA -0.780 57.606 58.200 0.311 0.000 0.992 381 S CB 0.311 63.737 63.200 0.377 0.000 1.028 381 S HN 0.266 nan 8.310 nan 0.000 0.484 382 L N 3.986 125.317 121.223 0.180 0.000 2.326 382 L HA 0.587 4.925 4.340 -0.004 0.000 0.278 382 L C 0.930 177.689 176.870 -0.185 0.000 1.092 382 L CA -0.620 54.241 54.840 0.036 0.000 0.810 382 L CB 1.141 43.174 42.059 -0.043 0.000 1.153 382 L HN 0.841 nan 8.230 nan 0.000 0.439 383 A N 5.692 128.097 122.820 -0.692 0.000 2.507 383 A HA 0.202 4.520 4.320 -0.004 0.000 0.235 383 A C -1.463 175.640 177.584 -0.802 0.000 1.070 383 A CA -0.753 50.407 52.037 -1.463 0.000 0.768 383 A CB -0.279 17.488 19.000 -2.056 0.000 1.011 383 A HN 0.672 nan 8.150 nan 0.000 0.502 384 P HA -0.104 nan 4.420 nan 0.000 0.233 384 P C 0.537 177.443 177.300 -0.656 0.000 1.167 384 P CA 1.177 63.792 63.100 -0.807 0.000 0.770 384 P CB -0.270 30.686 31.700 -1.239 0.000 0.837 385 N N -0.911 117.510 118.700 -0.464 0.000 2.398 385 N HA 0.065 4.803 4.740 -0.004 0.000 0.188 385 N C 1.176 176.634 175.510 -0.086 0.000 1.122 385 N CA 0.477 53.453 53.050 -0.123 0.000 0.866 385 N CB -0.459 38.006 38.487 -0.037 0.000 0.970 385 N HN -0.011 nan 8.380 nan 0.000 0.462 386 G N 1.040 109.751 108.800 -0.149 0.000 2.155 386 G HA2 -0.353 3.605 3.960 -0.004 0.000 0.257 386 G HA3 -0.353 3.605 3.960 -0.004 0.000 0.257 386 G C 0.780 175.750 174.900 0.116 0.000 0.983 386 G CA 0.955 46.095 45.100 0.067 0.000 0.676 386 G HN 0.602 nan 8.290 nan 0.000 0.528 387 T N -3.794 110.719 114.554 -0.070 0.000 3.069 387 T HA 0.662 5.010 4.350 -0.004 0.000 0.252 387 T C 0.442 175.106 174.700 -0.060 0.000 1.053 387 T CA 1.103 63.176 62.100 -0.046 0.000 0.964 387 T CB 0.454 69.291 68.868 -0.051 0.000 1.005 387 T HN 0.756 nan 8.240 nan 0.000 0.532 388 M N 1.440 120.967 119.600 -0.121 0.000 2.413 388 M HA 0.601 5.079 4.480 -0.004 0.000 0.287 388 M C -2.361 173.951 176.300 0.021 0.000 1.186 388 M CA -0.866 54.405 55.300 -0.049 0.000 0.927 388 M CB 2.432 34.921 32.600 -0.186 0.000 1.715 388 M HN -0.084 nan 8.290 nan 0.000 0.478 389 V N 4.844 124.926 119.914 0.280 0.000 2.540 389 V HA 0.600 4.717 4.120 -0.004 0.000 0.302 389 V C -0.559 175.890 176.094 0.592 0.000 1.035 389 V CA -0.780 61.750 62.300 0.383 0.000 0.873 389 V CB 1.701 33.710 31.823 0.310 0.000 0.992 389 V HN 0.906 nan 8.190 nan 0.000 0.428 390 I N 5.748 126.718 120.570 0.667 0.000 2.428 390 I HA 0.718 4.886 4.170 -0.004 0.000 0.296 390 I C -0.810 175.546 176.117 0.398 0.000 0.985 390 I CA -0.273 61.284 61.300 0.428 0.000 1.260 390 I CB 1.262 39.378 38.000 0.193 0.000 1.389 390 I HN 0.850 nan 8.210 nan 0.000 0.484 391 Y N 3.538 123.923 120.300 0.142 0.000 2.725 391 Y HA 0.610 5.158 4.550 -0.004 0.000 0.333 391 Y C -1.466 174.462 175.900 0.047 0.000 1.242 391 Y CA -1.131 57.030 58.100 0.102 0.000 1.059 391 Y CB 0.978 39.499 38.460 0.102 0.000 1.306 391 Y HN 0.375 nan 8.280 nan 0.000 0.454 392 S N 1.168 116.889 115.700 0.035 0.000 2.503 392 S HA 0.856 5.323 4.470 -0.004 0.000 0.301 392 S C -0.868 173.735 174.600 0.005 0.000 1.087 392 S CA 0.168 58.312 58.200 -0.094 0.000 1.042 392 S CB 0.914 64.065 63.200 -0.082 0.000 1.043 392 S HN 1.301 nan 8.310 nan 0.000 0.489 393 S N 2.663 118.324 115.700 -0.064 0.000 2.806 393 S HA 0.777 5.245 4.470 -0.004 0.000 0.306 393 S C -0.994 173.602 174.600 -0.006 0.000 1.167 393 S CA -0.723 57.491 58.200 0.023 0.000 0.847 393 S CB 1.378 64.653 63.200 0.125 0.000 1.216 393 S HN 0.541 nan 8.310 nan 0.000 0.532 394 S N 0.599 116.327 115.700 0.046 0.000 2.454 394 S HA 0.563 5.031 4.470 -0.004 0.000 0.306 394 S C -1.111 173.601 174.600 0.187 0.000 1.100 394 S CA -0.644 57.619 58.200 0.105 0.000 1.087 394 S CB 1.152 64.433 63.200 0.135 0.000 1.019 394 S HN 0.612 nan 8.310 nan 0.000 0.480 395 Q N 1.291 121.152 119.800 0.102 0.000 2.330 395 Q HA 0.554 4.892 4.340 -0.004 0.000 0.269 395 Q C 0.786 176.816 176.000 0.051 0.000 1.022 395 Q CA -0.342 55.506 55.803 0.075 0.000 0.796 395 Q CB 1.906 30.660 28.738 0.026 0.000 1.271 395 Q HN 0.973 nan 8.270 nan 0.000 0.450 396 G N 2.558 111.377 108.800 0.033 0.000 2.651 396 G HA2 -0.335 3.623 3.960 -0.004 0.000 0.315 396 G HA3 -0.335 3.623 3.960 -0.004 0.000 0.315 396 G C 0.529 175.455 174.900 0.043 0.000 1.258 396 G CA 0.488 45.597 45.100 0.014 0.000 1.002 396 G HN 0.573 nan 8.290 nan 0.000 0.551 397 M N 2.550 122.165 119.600 0.025 0.000 2.495 397 M HA 0.313 4.791 4.480 -0.004 0.000 0.237 397 M C 1.133 177.449 176.300 0.026 0.000 1.131 397 M CA 0.825 56.142 55.300 0.029 0.000 1.032 397 M CB -0.533 32.073 32.600 0.011 0.000 1.513 397 M HN 0.918 nan 8.290 nan 0.000 0.488 398 G N -0.581 108.233 108.800 0.023 0.000 2.612 398 G HA2 0.510 4.467 3.960 -0.004 0.000 0.298 398 G HA3 0.510 4.467 3.960 -0.004 0.000 0.298 398 G C -1.002 173.897 174.900 -0.000 0.000 1.336 398 G CA -0.386 44.717 45.100 0.005 0.000 0.953 398 G HN 0.086 nan 8.290 nan 0.000 0.482 399 S N -0.729 114.960 115.700 -0.018 0.000 2.564 399 S HA 0.512 4.980 4.470 -0.004 0.000 0.278 399 S C 0.605 175.172 174.600 -0.054 0.000 1.333 399 S CA -0.212 57.963 58.200 -0.042 0.000 1.048 399 S CB 1.135 64.298 63.200 -0.062 0.000 0.900 399 S HN 1.326 nan 8.310 nan 0.000 0.505 400 V N 1.538 121.407 119.914 -0.075 0.000 3.167 400 V HA 0.691 4.808 4.120 -0.004 0.000 0.310 400 V C -1.016 174.984 176.094 -0.157 0.000 1.207 400 V CA -1.164 61.071 62.300 -0.107 0.000 1.059 400 V CB 1.347 33.113 31.823 -0.095 0.000 1.079 400 V HN 0.701 nan 8.190 nan 0.000 0.446 401 L N 1.850 122.955 121.223 -0.197 0.000 2.331 401 L HA 0.644 4.982 4.340 -0.004 0.000 0.275 401 L C -0.291 176.397 176.870 -0.304 0.000 1.022 401 L CA -0.510 54.180 54.840 -0.251 0.000 0.812 401 L CB 1.624 43.535 42.059 -0.246 0.000 1.257 401 L HN 0.770 nan 8.230 nan 0.000 0.435 402 N N 2.823 121.239 118.700 -0.474 0.000 2.229 402 N HA 0.586 5.323 4.740 -0.004 0.000 0.298 402 N C -1.344 174.008 175.510 -0.263 0.000 1.114 402 N CA -0.617 52.143 53.050 -0.483 0.000 0.776 402 N CB 3.004 40.905 38.487 -0.977 0.000 1.501 402 N HN 0.326 nan 8.380 nan 0.000 0.474 403 L N 1.216 122.440 121.223 0.001 0.000 2.325 403 L HA 0.677 5.014 4.340 -0.004 0.000 0.278 403 L C -0.319 176.752 176.870 0.335 0.000 1.023 403 L CA -0.861 54.136 54.840 0.261 0.000 0.811 403 L CB 1.924 44.204 42.059 0.369 0.000 1.249 403 L HN 0.160 nan 8.230 nan 0.000 0.431 404 V N 1.997 122.176 119.914 0.443 0.000 2.777 404 V HA 0.424 4.542 4.120 -0.004 0.000 0.306 404 V C -0.096 176.209 176.094 0.351 0.000 1.112 404 V CA -0.424 62.098 62.300 0.369 0.000 0.917 404 V CB 2.575 34.581 31.823 0.305 0.000 1.018 404 V HN 0.906 nan 8.190 nan 0.000 0.426 405 S N 3.402 119.323 115.700 0.369 0.000 2.589 405 S HA 0.138 4.606 4.470 -0.004 0.000 0.265 405 S C 1.239 175.912 174.600 0.121 0.000 1.342 405 S CA 0.332 58.674 58.200 0.237 0.000 1.005 405 S CB 1.119 64.460 63.200 0.234 0.000 0.909 405 S HN 1.360 nan 8.310 nan 0.000 0.555 406 T N -2.458 112.122 114.554 0.043 0.000 3.118 406 T HA 0.007 4.354 4.350 -0.004 0.000 0.260 406 T C 0.668 175.312 174.700 -0.094 0.000 1.139 406 T CA 0.673 62.746 62.100 -0.046 0.000 1.085 406 T CB -0.592 68.187 68.868 -0.148 0.000 0.934 406 T HN 0.791 nan 8.240 nan 0.000 0.518 407 D N 0.316 120.696 120.400 -0.035 0.000 2.349 407 D HA 0.251 4.889 4.640 -0.004 0.000 0.214 407 D C 1.664 177.966 176.300 0.004 0.000 1.063 407 D CA 0.305 54.284 54.000 -0.035 0.000 0.847 407 D CB -0.585 40.202 40.800 -0.022 0.000 0.933 407 D HN 0.457 nan 8.370 nan 0.000 0.513 408 G N 1.082 109.902 108.800 0.034 0.000 2.212 408 G HA2 -0.401 3.557 3.960 -0.004 0.000 0.266 408 G HA3 -0.401 3.557 3.960 -0.004 0.000 0.266 408 G C 1.346 176.286 174.900 0.067 0.000 0.978 408 G CA 0.384 45.509 45.100 0.042 0.000 0.632 408 G HN 0.437 nan 8.290 nan 0.000 0.537 409 R N -1.057 119.500 120.500 0.095 0.000 2.189 409 R HA 0.279 4.617 4.340 -0.004 0.000 0.203 409 R C 0.841 177.239 176.300 0.164 0.000 1.012 409 R CA 0.399 56.561 56.100 0.104 0.000 1.015 409 R CB 0.253 30.608 30.300 0.092 0.000 0.938 409 R HN 0.440 nan 8.270 nan 0.000 0.472 410 F N 2.191 122.180 119.950 0.065 0.000 2.420 410 F HA 0.346 4.871 4.527 -0.004 0.000 0.342 410 F C -0.668 175.194 175.800 0.104 0.000 1.113 410 F CA -0.491 57.562 58.000 0.089 0.000 1.059 410 F CB 0.864 39.930 39.000 0.110 0.000 1.128 410 F HN -0.360 nan 8.300 nan 0.000 0.475 411 K N 5.414 125.436 120.400 -0.631 0.000 2.468 411 K HA 0.854 5.172 4.320 -0.004 0.000 0.252 411 K C -1.411 174.829 176.600 -0.599 0.000 0.932 411 K CA -1.050 54.998 56.287 -0.399 0.000 0.794 411 K CB 2.165 34.578 32.500 -0.145 0.000 1.241 411 K HN 0.731 nan 8.250 nan 0.000 0.428 412 A N 2.374 125.007 122.820 -0.313 0.000 2.568 412 A HA 0.790 5.107 4.320 -0.004 0.000 0.291 412 A C -1.455 176.082 177.584 -0.079 0.000 1.159 412 A CA -0.874 51.045 52.037 -0.196 0.000 0.679 412 A CB 1.519 20.447 19.000 -0.120 0.000 1.285 412 A HN 0.700 nan 8.150 nan 0.000 0.428 413 R N -1.216 119.244 120.500 -0.067 0.000 2.836 413 R HA 0.669 5.007 4.340 -0.004 0.000 0.269 413 R C -1.718 174.530 176.300 -0.087 0.000 1.010 413 R CA -0.718 55.329 56.100 -0.088 0.000 0.930 413 R CB 1.705 31.950 30.300 -0.092 0.000 1.218 413 R HN 0.409 nan 8.270 nan 0.000 0.473 414 L N 2.542 123.686 121.223 -0.131 0.000 2.679 414 L HA 0.352 4.690 4.340 -0.004 0.000 0.238 414 L C -2.271 174.496 176.870 -0.171 0.000 1.330 414 L CA -1.526 53.218 54.840 -0.160 0.000 0.935 414 L CB 0.924 42.852 42.059 -0.219 0.000 1.243 414 L HN 0.281 nan 8.230 nan 0.000 0.484 415 P HA 0.233 nan 4.420 nan 0.000 0.268 415 P C -0.453 176.769 177.300 -0.129 0.000 1.205 415 P CA -0.022 63.007 63.100 -0.118 0.000 0.771 415 P CB 1.115 32.762 31.700 -0.088 0.000 0.858 416 A N 1.717 124.465 122.820 -0.120 0.000 2.350 416 A HA 0.629 4.946 4.320 -0.004 0.000 0.318 416 A C 1.235 178.768 177.584 -0.084 0.000 1.132 416 A CA -0.000 51.966 52.037 -0.118 0.000 0.811 416 A CB 0.503 19.424 19.000 -0.132 0.000 1.313 416 A HN 0.553 nan 8.150 nan 0.000 0.454 417 T N -1.019 113.490 114.554 -0.075 0.000 2.739 417 T HA 0.063 4.411 4.350 -0.004 0.000 0.249 417 T C 0.231 174.904 174.700 -0.045 0.000 1.050 417 T CA 1.183 63.249 62.100 -0.057 0.000 1.165 417 T CB -0.864 67.972 68.868 -0.054 0.000 0.872 417 T HN 0.721 nan 8.240 nan 0.000 0.411 418 D N 1.333 121.710 120.400 -0.038 0.000 2.225 418 D HA 0.529 5.167 4.640 -0.004 0.000 0.248 418 D C 0.697 176.979 176.300 -0.030 0.000 1.096 418 D CA 0.063 54.045 54.000 -0.030 0.000 0.863 418 D CB 0.556 41.344 40.800 -0.021 0.000 1.156 418 D HN 0.827 nan 8.370 nan 0.000 0.450 419 G N 1.402 110.182 108.800 -0.033 0.000 2.787 419 G HA2 -0.171 3.786 3.960 -0.004 0.000 0.685 419 G HA3 -0.171 3.786 3.960 -0.004 0.000 0.685 419 G C -0.575 174.306 174.900 -0.031 0.000 1.437 419 G CA -0.947 44.134 45.100 -0.032 0.000 0.872 419 G HN 0.676 nan 8.290 nan 0.000 0.566 420 Q N -1.136 118.648 119.800 -0.025 0.000 2.392 420 Q HA 0.472 4.809 4.340 -0.004 0.000 0.262 420 Q C 0.236 176.232 176.000 -0.005 0.000 1.003 420 Q CA -0.167 55.623 55.803 -0.021 0.000 0.888 420 Q CB 1.448 30.180 28.738 -0.010 0.000 1.260 420 Q HN 0.660 nan 8.270 nan 0.000 0.435 421 V N 2.049 121.946 119.914 -0.028 0.000 2.588 421 V HA 0.575 4.693 4.120 -0.004 0.000 0.304 421 V C -0.218 175.862 176.094 -0.023 0.000 1.042 421 V CA -0.735 61.553 62.300 -0.019 0.000 0.877 421 V CB 1.393 33.136 31.823 -0.132 0.000 0.996 421 V HN 0.863 nan 8.190 nan 0.000 0.425 422 K N 1.788 122.219 120.400 0.051 0.000 2.454 422 K HA 0.652 4.970 4.320 -0.004 0.000 0.279 422 K C -0.693 175.988 176.600 0.134 0.000 1.020 422 K CA -1.045 55.230 56.287 -0.020 0.000 0.850 422 K CB 0.765 33.167 32.500 -0.164 0.000 1.529 422 K HN 0.202 nan 8.250 nan 0.000 0.390 423 F N 0.556 120.566 119.950 0.100 0.000 3.004 423 F HA -0.136 4.389 4.527 -0.004 0.000 0.264 423 F C -2.050 173.833 175.800 0.139 0.000 0.979 423 F CA 0.493 58.563 58.000 0.117 0.000 0.896 423 F CB -1.805 37.259 39.000 0.107 0.000 0.813 423 F HN 0.377 nan 8.300 nan 0.000 0.804 424 P HA 0.504 nan 4.420 nan 0.000 0.274 424 P C -0.557 176.922 177.300 0.299 0.000 1.231 424 P CA -0.019 63.239 63.100 0.263 0.000 0.790 424 P CB 1.844 33.641 31.700 0.161 0.000 0.951 425 A N 2.849 125.868 122.820 0.332 0.000 2.408 425 A HA 0.388 4.706 4.320 -0.004 0.000 0.295 425 A C -1.316 176.629 177.584 0.601 0.000 1.040 425 A CA -0.612 51.690 52.037 0.442 0.000 0.707 425 A CB 0.909 20.148 19.000 0.399 0.000 1.235 425 A HN 0.502 nan 8.150 nan 0.000 0.418 426 W N 4.012 125.510 121.300 0.329 0.000 2.345 426 W HA 0.390 5.048 4.660 -0.003 0.000 0.308 426 W C 0.793 177.194 176.519 -0.198 0.000 1.273 426 W CA 0.102 57.517 57.345 0.117 0.000 1.243 426 W CB 1.524 31.004 29.460 0.034 0.000 1.260 426 W HN 0.902 nan 8.180 nan 0.000 0.509 427 S N 7.406 122.880 115.700 -0.377 0.000 2.589 427 S HA 0.323 4.791 4.470 -0.004 0.000 0.265 427 S C -1.932 172.370 174.600 -0.496 0.000 1.342 427 S CA -0.981 56.424 58.200 -1.326 0.000 1.005 427 S CB 1.104 63.265 63.200 -1.732 0.000 0.909 427 S HN 0.370 nan 8.310 nan 0.000 0.555 428 P HA 0.135 nan 4.420 nan 0.000 0.282 428 P C -0.519 176.626 177.300 -0.258 0.000 1.286 428 P CA -0.434 62.483 63.100 -0.305 0.000 0.777 428 P CB 0.049 31.653 31.700 -0.160 0.000 1.184 429 Y N -0.872 119.350 120.300 -0.131 0.000 2.702 429 Y HA 0.095 4.643 4.550 -0.004 0.000 0.336 429 Y C 1.118 176.976 175.900 -0.070 0.000 1.235 429 Y CA 1.037 59.073 58.100 -0.108 0.000 1.492 429 Y CB -0.523 37.883 38.460 -0.091 0.000 1.308 429 Y HN 0.096 nan 8.280 nan 0.000 0.589 430 L N 0.000 121.314 121.223 0.151 0.000 2.949 430 L HA 0.000 4.338 4.340 -0.004 0.000 0.249 430 L CA 0.000 54.929 54.840 0.149 0.000 0.813 430 L CB 0.000 42.151 42.059 0.153 0.000 0.961 430 L HN 0.000 nan 8.230 nan 0.000 0.502