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_F 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 0.000 176.521 176.600 -0.132 0.000 1.382 22 E CA 0.000 56.347 56.400 -0.089 0.000 0.976 22 E CB 0.000 29.627 29.700 -0.122 0.000 0.812 23 V N -0.228 119.583 119.914 -0.171 0.000 2.815 23 V HA 0.894 5.014 4.120 -0.000 0.000 0.314 23 V C -0.855 175.091 176.094 -0.246 0.000 1.064 23 V CA -0.637 61.531 62.300 -0.221 0.000 0.952 23 V CB 1.795 33.430 31.823 -0.312 0.000 1.020 23 V HN 0.748 nan 8.190 nan 0.000 0.439 24 R N 3.001 123.375 120.500 -0.211 0.000 2.774 24 R HA 0.609 4.949 4.340 -0.000 0.000 0.272 24 R C -1.162 175.065 176.300 -0.123 0.000 1.000 24 R CA -0.801 55.181 56.100 -0.196 0.000 0.906 24 R CB 2.207 32.399 30.300 -0.180 0.000 1.227 24 R HN 0.875 nan 8.270 nan 0.000 0.468 25 I N 1.505 122.033 120.570 -0.070 0.000 2.395 25 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 25 I C -0.102 176.024 176.117 0.014 0.000 1.023 25 I CA -0.521 60.775 61.300 -0.007 0.000 1.350 25 I CB 1.252 39.293 38.000 0.068 0.000 1.409 25 I HN 0.009 nan 8.210 nan 0.000 0.507 26 V N 7.998 127.913 119.914 0.003 0.000 2.407 26 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 26 V C 0.095 176.186 176.094 -0.005 0.000 1.018 26 V CA -0.523 61.778 62.300 0.001 0.000 0.842 26 V CB 1.690 33.497 31.823 -0.026 0.000 0.996 26 V HN 0.468 nan 8.190 nan 0.000 0.426 27 I N 4.054 124.633 120.570 0.016 0.000 2.441 27 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 27 I C 0.855 176.911 176.117 -0.102 0.000 1.049 27 I CA 0.042 61.307 61.300 -0.059 0.000 1.381 27 I CB 1.060 39.085 38.000 0.043 0.000 1.409 27 I HN 0.612 nan 8.210 nan 0.000 0.523 28 D N 2.891 123.181 120.400 -0.183 0.000 2.338 28 D HA 0.059 4.699 4.640 -0.000 0.000 0.224 28 D C 0.328 176.558 176.300 -0.118 0.000 0.967 28 D CA 0.874 54.799 54.000 -0.126 0.000 0.896 28 D CB 0.481 41.213 40.800 -0.113 0.000 1.028 28 D HN 0.630 nan 8.370 nan 0.000 0.493 29 S N -2.981 112.607 115.700 -0.186 0.000 2.611 29 S HA 0.524 4.994 4.470 -0.000 0.000 0.268 29 S C 0.611 175.144 174.600 -0.111 0.000 1.156 29 S CA -0.149 57.989 58.200 -0.103 0.000 0.817 29 S CB 2.128 65.289 63.200 -0.066 0.000 1.122 29 S HN 0.241 nan 8.310 nan 0.000 0.466 30 G N -0.518 108.293 108.800 0.019 0.000 2.218 30 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 30 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 30 G C 0.699 175.727 174.900 0.214 0.000 0.994 30 G CA 0.187 45.362 45.100 0.125 0.000 0.637 30 G HN 1.273 nan 8.290 nan 0.000 0.505 31 V N 1.131 121.169 119.914 0.208 0.000 2.515 31 V HA -0.075 4.045 4.120 -0.000 0.000 0.250 31 V C 2.417 178.603 176.094 0.154 0.000 1.058 31 V CA 2.663 65.107 62.300 0.240 0.000 1.064 31 V CB -0.262 31.692 31.823 0.218 0.000 0.675 31 V HN 0.457 nan 8.190 nan 0.000 0.461 32 D N -0.131 120.336 120.400 0.112 0.000 2.265 32 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 32 D C 2.217 178.556 176.300 0.064 0.000 0.977 32 D CA 1.193 55.241 54.000 0.080 0.000 0.871 32 D CB -0.029 40.807 40.800 0.061 0.000 0.925 32 D HN 0.351 nan 8.370 nan 0.000 0.485 33 S N -0.770 114.972 115.700 0.070 0.000 2.607 33 S HA 0.157 4.627 4.470 -0.000 0.000 0.224 33 S C 0.949 175.558 174.600 0.015 0.000 0.969 33 S CA 0.328 58.553 58.200 0.041 0.000 0.927 33 S CB 0.097 63.326 63.200 0.049 0.000 0.772 33 S HN 0.347 nan 8.310 nan 0.000 0.533 34 G N 0.772 109.590 108.800 0.030 0.000 2.504 34 G HA2 0.434 4.394 3.960 -0.000 0.000 0.288 34 G HA3 0.434 4.394 3.960 -0.000 0.000 0.288 34 G C -0.390 174.472 174.900 -0.062 0.000 1.182 34 G CA -0.789 44.289 45.100 -0.037 0.000 0.894 34 G HN 0.316 nan 8.290 nan 0.000 0.521 35 R N 1.317 121.696 120.500 -0.201 0.000 2.421 35 R HA 0.164 4.503 4.340 -0.000 0.000 0.305 35 R C -2.238 174.112 176.300 0.082 0.000 1.039 35 R CA -0.898 55.132 56.100 -0.117 0.000 1.003 35 R CB 0.242 30.354 30.300 -0.314 0.000 0.959 35 R HN 0.171 nan 8.270 nan 0.000 0.427 36 P HA 0.015 nan 4.420 nan 0.000 0.265 36 P C -0.780 176.641 177.300 0.203 0.000 1.193 36 P CA 0.373 63.566 63.100 0.155 0.000 0.765 36 P CB 0.566 32.342 31.700 0.127 0.000 0.823 37 I N 1.445 122.142 120.570 0.212 0.000 2.913 37 I HA 0.607 4.777 4.170 -0.000 0.000 0.302 37 I C -0.587 175.596 176.117 0.110 0.000 1.246 37 I CA -0.906 60.487 61.300 0.156 0.000 1.010 37 I CB 2.216 40.319 38.000 0.172 0.000 1.259 37 I HN 0.382 nan 8.210 nan 0.000 0.434 38 G N 5.296 114.084 108.800 -0.020 0.000 2.335 38 G HA2 0.579 4.539 3.960 -0.000 0.000 0.316 38 G HA3 0.579 4.539 3.960 -0.000 0.000 0.316 38 G C -1.371 173.430 174.900 -0.164 0.000 1.129 38 G CA -0.298 44.742 45.100 -0.100 0.000 0.899 38 G HN 0.355 nan 8.290 nan 0.000 0.448 39 V N 3.489 123.397 119.914 -0.009 0.000 2.407 39 V HA 0.322 4.442 4.120 -0.000 0.000 0.291 39 V C -0.019 176.137 176.094 0.102 0.000 1.018 39 V CA -0.710 61.600 62.300 0.017 0.000 0.842 39 V CB 1.430 33.259 31.823 0.009 0.000 0.996 39 V HN 0.541 nan 8.190 nan 0.000 0.426 40 V N 7.177 127.173 119.914 0.136 0.000 2.539 40 V HA 0.402 4.522 4.120 -0.000 0.000 0.292 40 V C -2.128 174.129 176.094 0.272 0.000 1.045 40 V CA -2.110 60.309 62.300 0.199 0.000 0.945 40 V CB 1.853 33.779 31.823 0.172 0.000 0.993 40 V HN 0.686 nan 8.190 nan 0.000 0.464 41 P HA 0.064 nan 4.420 nan 0.000 0.266 41 P C -0.481 177.045 177.300 0.376 0.000 1.195 41 P CA 0.330 63.565 63.100 0.226 0.000 0.768 41 P CB 0.182 31.968 31.700 0.145 0.000 0.838 42 F N 1.119 121.106 119.950 0.061 0.000 2.429 42 F HA 0.115 4.642 4.527 -0.000 0.000 0.348 42 F C 1.673 177.546 175.800 0.122 0.000 1.109 42 F CA -0.748 57.303 58.000 0.084 0.000 1.232 42 F CB 0.588 39.639 39.000 0.084 0.000 1.157 42 F HN 0.201 nan 8.300 nan 0.000 0.564 43 Q N 3.699 123.643 119.800 0.240 0.000 2.300 43 Q HA -0.052 4.288 4.340 -0.000 0.000 0.280 43 Q C -0.792 175.387 176.000 0.299 0.000 1.033 43 Q CA 0.173 56.097 55.803 0.201 0.000 0.903 43 Q CB 1.008 29.802 28.738 0.093 0.000 1.195 43 Q HN 0.631 nan 8.270 nan 0.000 0.386 44 W N 3.169 124.523 121.300 0.090 0.000 2.411 44 W HA 0.542 5.202 4.660 -0.000 0.000 0.317 44 W C -1.235 175.329 176.519 0.075 0.000 1.030 44 W CA -0.996 56.404 57.345 0.091 0.000 1.239 44 W CB 0.991 30.498 29.460 0.079 0.000 1.304 44 W HN 0.656 nan 8.180 nan 0.000 0.437 45 A N 5.314 127.786 122.820 -0.581 0.000 3.056 45 A HA 0.579 4.899 4.320 -0.000 0.000 0.274 45 A C 0.180 177.019 177.584 -1.242 0.000 1.661 45 A CA 0.433 52.055 52.037 -0.692 0.000 1.363 45 A CB -0.770 18.024 19.000 -0.344 0.000 1.139 45 A HN 0.876 nan 8.150 nan 0.000 0.598 46 G N 0.990 108.971 108.800 -1.365 0.000 2.451 46 G HA2 0.571 4.530 3.960 -0.000 0.000 0.292 46 G HA3 0.571 4.530 3.960 -0.000 0.000 0.292 46 G C -3.362 171.355 174.900 -0.305 0.000 1.427 46 G CA -0.715 43.888 45.100 -0.829 0.000 0.792 46 G HN 0.213 nan 8.290 nan 0.000 0.498 47 P HA 0.462 nan 4.420 nan 0.000 0.272 47 P C 1.010 178.516 177.300 0.343 0.000 1.223 47 P CA 1.411 64.595 63.100 0.140 0.000 0.784 47 P CB 0.994 32.761 31.700 0.111 0.000 0.923 48 G N 1.039 109.994 108.800 0.258 0.000 2.569 48 G HA2 0.020 3.980 3.960 -0.000 0.000 0.259 48 G HA3 0.020 3.980 3.960 -0.000 0.000 0.259 48 G C -0.296 174.782 174.900 0.298 0.000 1.263 48 G CA -0.018 45.223 45.100 0.235 0.000 0.928 48 G HN 0.825 nan 8.290 nan 0.000 0.572 49 A N -0.542 122.326 122.820 0.080 0.000 2.306 49 A HA 1.004 5.324 4.320 -0.000 0.000 0.330 49 A C 0.800 177.978 177.584 -0.677 0.000 1.146 49 A CA 0.931 52.877 52.037 -0.153 0.000 0.827 49 A CB 1.033 19.957 19.000 -0.126 0.000 1.178 49 A HN 2.590 nan 8.150 nan 0.000 0.490 50 A N 1.691 123.849 122.820 -1.103 0.000 2.448 50 A HA 0.488 4.808 4.320 -0.000 0.000 0.239 50 A C -1.293 175.782 177.584 -0.849 0.000 1.080 50 A CA -0.561 50.557 52.037 -1.532 0.000 0.779 50 A CB -0.432 18.042 19.000 -0.875 0.000 1.026 50 A HN 0.611 nan 8.150 nan 0.000 0.499 51 P HA 0.076 nan 4.420 nan 0.000 0.233 51 P C 0.094 177.143 177.300 -0.419 0.000 1.167 51 P CA 1.088 63.880 63.100 -0.513 0.000 0.770 51 P CB 0.321 31.702 31.700 -0.532 0.000 0.837 52 E N -0.460 119.470 120.200 -0.450 0.000 2.408 52 E HA 0.335 4.685 4.350 -0.000 0.000 0.275 52 E C -1.609 174.801 176.600 -0.317 0.000 0.935 52 E CA -0.817 55.375 56.400 -0.346 0.000 0.775 52 E CB 0.961 30.459 29.700 -0.336 0.000 1.277 52 E HN -0.345 nan 8.360 nan 0.000 0.455 53 D N 4.086 124.316 120.400 -0.282 0.000 2.518 53 D HA 0.170 4.810 4.640 -0.000 0.000 0.230 53 D C 0.823 176.920 176.300 -0.337 0.000 1.138 53 D CA -0.253 53.594 54.000 -0.255 0.000 0.964 53 D CB 0.052 40.738 40.800 -0.191 0.000 1.011 53 D HN 0.405 nan 8.370 nan 0.000 0.517 54 I N 1.999 122.313 120.570 -0.427 0.000 2.226 54 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 54 I C 2.335 177.945 176.117 -0.845 0.000 1.100 54 I CA 1.009 61.935 61.300 -0.623 0.000 1.374 54 I CB -1.293 36.290 38.000 -0.696 0.000 1.057 54 I HN 0.421 nan 8.210 nan 0.000 0.413 55 G N 0.891 109.126 108.800 -0.942 0.000 2.469 55 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 55 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 55 G C 1.760 176.487 174.900 -0.288 0.000 1.150 55 G CA 0.984 45.757 45.100 -0.545 0.000 0.763 55 G HN 0.480 nan 8.290 nan 0.000 0.561 56 G N 1.018 109.671 108.800 -0.245 0.000 2.440 56 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 56 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 56 G C 1.780 176.561 174.900 -0.198 0.000 1.154 56 G CA 0.873 45.870 45.100 -0.172 0.000 0.767 56 G HN 0.455 nan 8.290 nan 0.000 0.552 57 I N 0.324 120.725 120.570 -0.282 0.000 2.179 57 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 57 I C 2.805 178.763 176.117 -0.264 0.000 1.088 57 I CA 0.631 61.755 61.300 -0.293 0.000 1.357 57 I CB -0.401 37.349 38.000 -0.417 0.000 1.051 57 I HN 0.036 nan 8.210 nan 0.000 0.409 58 V N 1.181 120.913 119.914 -0.303 0.000 2.255 58 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 58 V C 2.785 178.734 176.094 -0.243 0.000 1.051 58 V CA 2.076 64.203 62.300 -0.288 0.000 1.018 58 V CB -1.172 30.509 31.823 -0.238 0.000 0.641 58 V HN 0.509 nan 8.190 nan 0.000 0.445 59 A N 0.227 122.949 122.820 -0.164 0.000 1.884 59 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 59 A C 2.437 179.974 177.584 -0.078 0.000 1.197 59 A CA 2.794 54.775 52.037 -0.093 0.000 0.637 59 A CB -1.079 17.896 19.000 -0.042 0.000 0.827 59 A HN 0.640 nan 8.150 nan 0.000 0.450 60 A N -0.561 122.213 122.820 -0.077 0.000 1.933 60 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 60 A C 1.782 179.351 177.584 -0.025 0.000 1.175 60 A CA 1.955 53.984 52.037 -0.013 0.000 0.628 60 A CB -0.591 18.409 19.000 0.001 0.000 0.814 60 A HN 0.503 nan 8.150 nan 0.000 0.444 61 D N 0.137 120.421 120.400 -0.193 0.000 2.097 61 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 61 D C 1.985 177.997 176.300 -0.480 0.000 0.984 61 D CA 1.103 54.806 54.000 -0.496 0.000 0.826 61 D CB -0.363 39.679 40.800 -1.264 0.000 0.973 61 D HN 0.456 nan 8.370 nan 0.000 0.460 62 L N 0.312 121.325 121.223 -0.350 0.000 2.046 62 L HA -0.097 4.242 4.340 -0.000 0.000 0.208 62 L C 2.652 179.654 176.870 0.220 0.000 1.077 62 L CA 0.853 55.677 54.840 -0.027 0.000 0.747 62 L CB -0.330 41.588 42.059 -0.234 0.000 0.896 62 L HN -0.032 nan 8.230 nan 0.000 0.432 63 R N 0.494 121.077 120.500 0.137 0.000 2.083 63 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 63 R C 2.089 178.477 176.300 0.146 0.000 1.137 63 R CA 1.751 57.962 56.100 0.185 0.000 0.951 63 R CB -0.134 30.270 30.300 0.173 0.000 0.851 63 R HN 0.377 nan 8.270 nan 0.000 0.434 64 N N 0.310 119.107 118.700 0.161 0.000 2.272 64 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 64 N C 1.654 177.057 175.510 -0.179 0.000 1.014 64 N CA 1.645 54.801 53.050 0.176 0.000 0.870 64 N CB -0.238 38.503 38.487 0.423 0.000 0.975 64 N HN 0.349 nan 8.380 nan 0.000 0.433 65 S N -0.829 114.871 115.700 -0.000 0.000 2.481 65 S HA 0.079 4.549 4.470 -0.000 0.000 0.231 65 S C 1.615 176.030 174.600 -0.309 0.000 0.996 65 S CA 0.966 59.157 58.200 -0.014 0.000 0.942 65 S CB -0.196 63.244 63.200 0.400 0.000 0.768 65 S HN 0.434 nan 8.310 nan 0.000 0.520 66 G N 1.521 109.963 108.800 -0.597 0.000 2.184 66 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 66 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 66 G C 0.836 175.694 174.900 -0.071 0.000 0.975 66 G CA 0.610 45.437 45.100 -0.455 0.000 0.642 66 G HN 0.548 nan 8.290 nan 0.000 0.536 67 K N -1.007 119.397 120.400 0.007 0.000 2.367 67 K HA 0.383 4.703 4.320 -0.000 0.000 0.194 67 K C -0.010 176.272 176.600 -0.529 0.000 1.027 67 K CA 0.375 56.553 56.287 -0.183 0.000 1.075 67 K CB 0.563 32.984 32.500 -0.131 0.000 0.845 67 K HN 0.390 nan 8.250 nan 0.000 0.529 68 F N 0.092 120.093 119.950 0.085 0.000 2.599 68 F HA 0.278 4.805 4.527 -0.000 0.000 0.311 68 F C -0.082 175.770 175.800 0.087 0.000 1.076 68 F CA -1.326 56.722 58.000 0.080 0.000 0.937 68 F CB 1.416 40.468 39.000 0.088 0.000 1.282 68 F HN -0.238 nan 8.300 nan 0.000 0.460 69 N N 2.721 121.579 118.700 0.264 0.000 2.804 69 N HA 0.426 5.166 4.740 -0.000 0.000 0.251 69 N C -3.133 172.491 175.510 0.190 0.000 1.250 69 N CA -2.335 50.832 53.050 0.195 0.000 0.820 69 N CB 0.967 39.538 38.487 0.140 0.000 1.156 69 N HN 0.040 nan 8.380 nan 0.000 0.512 70 P HA 0.060 nan 4.420 nan 0.000 0.271 70 P C -0.115 177.271 177.300 0.143 0.000 1.216 70 P CA -0.529 62.658 63.100 0.145 0.000 0.771 70 P CB 0.618 32.376 31.700 0.098 0.000 0.864 71 L N 3.341 124.665 121.223 0.170 0.000 2.525 71 L HA 0.027 4.367 4.340 -0.000 0.000 0.278 71 L C 0.423 177.375 176.870 0.137 0.000 1.218 71 L CA 0.149 55.092 54.840 0.172 0.000 0.878 71 L CB -0.527 41.683 42.059 0.252 0.000 1.127 71 L HN 0.378 nan 8.230 nan 0.000 0.492 72 D N 3.323 123.786 120.400 0.105 0.000 2.455 72 D HA -0.018 4.622 4.640 -0.000 0.000 0.241 72 D C 1.182 177.531 176.300 0.083 0.000 1.138 72 D CA 0.359 54.408 54.000 0.083 0.000 0.877 72 D CB 0.715 41.554 40.800 0.065 0.000 1.187 72 D HN 0.576 nan 8.370 nan 0.000 0.451 73 R N 2.856 123.401 120.500 0.075 0.000 2.133 73 R HA -0.218 4.122 4.340 -0.000 0.000 0.247 73 R C 2.065 178.399 176.300 0.056 0.000 1.151 73 R CA 1.649 57.793 56.100 0.074 0.000 0.971 73 R CB -0.436 29.901 30.300 0.061 0.000 0.866 73 R HN 0.663 nan 8.270 nan 0.000 0.447 74 A N 0.680 123.526 122.820 0.042 0.000 2.076 74 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 74 A C 1.766 179.360 177.584 0.017 0.000 1.160 74 A CA 1.345 53.398 52.037 0.027 0.000 0.653 74 A CB -0.236 18.778 19.000 0.023 0.000 0.801 74 A HN 0.284 nan 8.150 nan 0.000 0.455 75 R N -0.960 119.553 120.500 0.023 0.000 2.397 75 R HA 0.305 4.645 4.340 -0.000 0.000 0.241 75 R C -0.352 175.924 176.300 -0.040 0.000 0.914 75 R CA -0.374 55.724 56.100 -0.003 0.000 1.071 75 R CB 0.038 30.346 30.300 0.013 0.000 1.116 75 R HN 0.369 nan 8.270 nan 0.000 0.524 76 L N 4.011 125.232 121.223 -0.003 0.000 2.601 76 L HA -0.006 4.334 4.340 -0.000 0.000 0.277 76 L C -1.052 175.695 176.870 -0.205 0.000 1.219 76 L CA -0.571 54.237 54.840 -0.054 0.000 0.915 76 L CB 0.171 42.293 42.059 0.106 0.000 1.160 76 L HN -0.068 nan 8.230 nan 0.000 0.494 77 P HA -0.101 nan 4.420 nan 0.000 0.225 77 P C -0.200 176.935 177.300 -0.275 0.000 1.156 77 P CA 0.961 63.806 63.100 -0.427 0.000 0.787 77 P CB 0.494 31.772 31.700 -0.703 0.000 0.802 78 Q N -2.036 117.648 119.800 -0.193 0.000 2.804 78 Q HA 0.392 4.732 4.340 -0.000 0.000 0.302 78 Q C -1.341 174.752 176.000 0.154 0.000 0.885 78 Q CA -0.920 54.885 55.803 0.003 0.000 0.759 78 Q CB 0.614 29.373 28.738 0.035 0.000 1.465 78 Q HN -0.168 nan 8.270 nan 0.000 0.432 79 Q N 0.613 120.506 119.800 0.154 0.000 3.075 79 Q HA 0.329 4.669 4.340 -0.000 0.000 0.318 79 Q C -2.456 173.634 176.000 0.150 0.000 0.907 79 Q CA -1.649 54.264 55.803 0.183 0.000 0.882 79 Q CB 1.392 30.212 28.738 0.136 0.000 1.386 79 Q HN 0.488 nan 8.270 nan 0.000 0.408 80 P HA 0.011 nan 4.420 nan 0.000 0.268 80 P C 0.565 177.902 177.300 0.060 0.000 1.204 80 P CA 0.258 63.422 63.100 0.107 0.000 0.768 80 P CB 1.096 32.871 31.700 0.125 0.000 0.842 81 G N 1.089 109.908 108.800 0.032 0.000 3.189 81 G HA2 0.236 4.196 3.960 -0.000 0.000 0.225 81 G HA3 0.236 4.196 3.960 -0.000 0.000 0.225 81 G C 0.214 175.085 174.900 -0.048 0.000 1.159 81 G CA 0.138 45.239 45.100 0.002 0.000 0.763 81 G HN 0.745 nan 8.290 nan 0.000 0.549 82 S N -2.476 113.196 115.700 -0.046 0.000 2.625 82 S HA 0.650 5.120 4.470 -0.000 0.000 0.271 82 S C 0.978 175.541 174.600 -0.061 0.000 1.161 82 S CA 0.224 58.381 58.200 -0.072 0.000 0.820 82 S CB 1.257 64.425 63.200 -0.054 0.000 1.137 82 S HN 0.493 nan 8.310 nan 0.000 0.470 83 A N 0.784 123.557 122.820 -0.078 0.000 1.933 83 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 83 A C 2.090 179.655 177.584 -0.032 0.000 1.175 83 A CA 1.565 53.563 52.037 -0.064 0.000 0.628 83 A CB -1.055 17.899 19.000 -0.077 0.000 0.814 83 A HN 0.798 nan 8.150 nan 0.000 0.444 84 Q N -0.507 119.276 119.800 -0.027 0.000 2.181 84 Q HA -0.199 4.141 4.340 -0.000 0.000 0.205 84 Q C 1.563 177.568 176.000 0.009 0.000 0.980 84 Q CA 1.649 57.446 55.803 -0.010 0.000 0.862 84 Q CB -0.175 28.554 28.738 -0.014 0.000 0.905 84 Q HN 0.803 nan 8.270 nan 0.000 0.429 85 E N -0.020 120.188 120.200 0.014 0.000 2.435 85 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 85 E C 0.027 176.673 176.600 0.076 0.000 1.029 85 E CA -0.217 56.206 56.400 0.038 0.000 0.865 85 E CB 0.529 30.251 29.700 0.037 0.000 0.833 85 E HN -0.008 nan 8.360 nan 0.000 0.510 86 V N 2.376 122.333 119.914 0.071 0.000 2.529 86 V HA -0.065 4.055 4.120 -0.000 0.000 0.292 86 V C 0.187 176.371 176.094 0.151 0.000 1.028 86 V CA 0.581 62.959 62.300 0.132 0.000 1.074 86 V CB 0.929 32.775 31.823 0.038 0.000 0.958 86 V HN 0.171 nan 8.190 nan 0.000 0.481 87 Q N 6.769 126.710 119.800 0.234 0.000 2.465 87 Q HA 0.247 4.587 4.340 -0.000 0.000 0.237 87 Q C -1.778 174.379 176.000 0.263 0.000 1.051 87 Q CA -1.674 54.236 55.803 0.178 0.000 0.874 87 Q CB 1.426 30.230 28.738 0.111 0.000 1.207 87 Q HN 0.503 nan 8.270 nan 0.000 0.508 88 P HA -0.232 nan 4.420 nan 0.000 0.216 88 P C 0.885 178.314 177.300 0.215 0.000 1.150 88 P CA 1.258 64.489 63.100 0.219 0.000 0.837 88 P CB 0.305 32.073 31.700 0.114 0.000 0.786 89 A N -0.149 122.748 122.820 0.129 0.000 2.067 89 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 89 A C 2.261 179.876 177.584 0.051 0.000 1.158 89 A CA 1.677 53.763 52.037 0.083 0.000 0.661 89 A CB -1.464 17.564 19.000 0.047 0.000 0.801 89 A HN 0.196 nan 8.150 nan 0.000 0.452 90 A N -1.308 121.522 122.820 0.017 0.000 1.972 90 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 90 A C 1.871 179.297 177.584 -0.264 0.000 1.169 90 A CA 1.358 53.286 52.037 -0.180 0.000 0.635 90 A CB -0.655 18.138 19.000 -0.345 0.000 0.810 90 A HN 0.768 nan 8.150 nan 0.000 0.446 91 W N 0.141 121.457 121.300 0.025 0.000 2.574 91 W HA 0.016 4.676 4.660 -0.000 0.000 0.282 91 W C 2.774 179.312 176.519 0.030 0.000 1.197 91 W CA 0.914 58.278 57.345 0.031 0.000 1.376 91 W CB -0.494 28.986 29.460 0.035 0.000 1.091 91 W HN 0.351 nan 8.180 nan 0.000 0.569 92 S N 0.689 116.535 115.700 0.242 0.000 2.419 92 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 92 S C 1.867 176.520 174.600 0.088 0.000 1.016 92 S CA 1.083 59.369 58.200 0.143 0.000 0.974 92 S CB -0.962 62.303 63.200 0.109 0.000 0.786 92 S HN 0.146 nan 8.310 nan 0.000 0.492 93 A N 0.852 123.706 122.820 0.057 0.000 2.216 93 A HA 0.313 4.633 4.320 -0.000 0.000 0.214 93 A C 1.792 179.385 177.584 0.016 0.000 1.160 93 A CA 0.698 52.747 52.037 0.019 0.000 0.725 93 A CB -0.542 18.450 19.000 -0.014 0.000 0.784 93 A HN 0.589 nan 8.150 nan 0.000 0.472 94 L N -1.794 119.454 121.223 0.042 0.000 2.959 94 L HA 0.292 4.632 4.340 -0.000 0.000 0.259 94 L C 1.375 178.294 176.870 0.081 0.000 1.185 94 L CA 0.370 55.237 54.840 0.046 0.000 0.998 94 L CB 0.278 42.357 42.059 0.034 0.000 1.337 94 L HN 0.481 nan 8.230 nan 0.000 0.555 95 G N 1.342 110.194 108.800 0.086 0.000 2.160 95 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.251 95 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.251 95 G C 0.038 175.009 174.900 0.118 0.000 1.008 95 G CA 0.042 45.194 45.100 0.087 0.000 0.724 95 G HN 0.314 nan 8.290 nan 0.000 0.514 96 I N 0.955 121.627 120.570 0.171 0.000 2.354 96 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 96 I C 0.714 176.928 176.117 0.162 0.000 0.989 96 I CA -0.520 60.898 61.300 0.197 0.000 1.188 96 I CB 1.571 39.765 38.000 0.322 0.000 1.342 96 I HN 0.201 nan 8.210 nan 0.000 0.457 97 D N 4.467 124.933 120.400 0.110 0.000 2.369 97 D HA 0.317 4.957 4.640 -0.000 0.000 0.211 97 D C 0.016 176.339 176.300 0.038 0.000 1.077 97 D CA -0.098 53.948 54.000 0.077 0.000 0.842 97 D CB 0.675 41.513 40.800 0.063 0.000 0.947 97 D HN 0.391 nan 8.370 nan 0.000 0.509 98 A N -0.400 122.425 122.820 0.009 0.000 2.574 98 A HA 0.658 4.978 4.320 -0.000 0.000 0.297 98 A C -1.574 175.892 177.584 -0.197 0.000 1.062 98 A CA -0.723 51.276 52.037 -0.064 0.000 0.686 98 A CB 1.909 20.905 19.000 -0.006 0.000 1.285 98 A HN 0.041 nan 8.150 nan 0.000 0.403 99 V N 1.260 120.988 119.914 -0.310 0.000 2.709 99 V HA 0.551 4.671 4.120 -0.000 0.000 0.308 99 V C -0.599 175.326 176.094 -0.282 0.000 1.062 99 V CA -0.615 61.376 62.300 -0.516 0.000 0.901 99 V CB 1.951 33.197 31.823 -0.961 0.000 1.003 99 V HN 0.766 nan 8.190 nan 0.000 0.425 100 V N 5.206 125.000 119.914 -0.200 0.000 2.398 100 V HA 0.655 4.774 4.120 -0.000 0.000 0.286 100 V C -0.038 176.038 176.094 -0.029 0.000 1.026 100 V CA -0.397 61.878 62.300 -0.042 0.000 0.868 100 V CB 1.638 33.489 31.823 0.046 0.000 0.982 100 V HN 0.766 nan 8.190 nan 0.000 0.443 101 V N 2.153 122.009 119.914 -0.095 0.000 3.113 101 V HA 1.160 5.280 4.120 -0.000 0.000 0.316 101 V C 0.071 175.778 176.094 -0.644 0.000 1.125 101 V CA -0.228 61.940 62.300 -0.220 0.000 1.026 101 V CB 1.811 33.543 31.823 -0.152 0.000 1.080 101 V HN 1.150 nan 8.190 nan 0.000 0.444 102 G N 0.956 109.140 108.800 -1.026 0.000 2.466 102 G HA2 0.628 4.588 3.960 -0.000 0.000 0.291 102 G HA3 0.628 4.588 3.960 -0.000 0.000 0.291 102 G C -2.211 172.226 174.900 -0.772 0.000 1.460 102 G CA -0.758 43.420 45.100 -1.537 0.000 0.791 102 G HN 0.902 nan 8.290 nan 0.000 0.505 103 Q N -1.181 118.437 119.800 -0.304 0.000 2.389 103 Q HA 0.702 5.042 4.340 -0.000 0.000 0.277 103 Q C -0.839 175.318 176.000 0.262 0.000 1.082 103 Q CA -0.775 55.059 55.803 0.051 0.000 0.810 103 Q CB 3.011 31.751 28.738 0.004 0.000 1.374 103 Q HN 0.525 nan 8.270 nan 0.000 0.422 104 V N 1.445 121.583 119.914 0.372 0.000 2.487 104 V HA 0.842 4.962 4.120 -0.000 0.000 0.298 104 V C -0.595 175.811 176.094 0.519 0.000 1.028 104 V CA -0.556 62.017 62.300 0.454 0.000 0.860 104 V CB 1.740 33.832 31.823 0.449 0.000 0.991 104 V HN 0.949 nan 8.190 nan 0.000 0.427 105 T N 3.284 118.105 114.554 0.445 0.000 2.906 105 T HA 0.721 5.071 4.350 -0.000 0.000 0.295 105 T C -3.201 171.730 174.700 0.386 0.000 1.061 105 T CA -2.281 60.002 62.100 0.305 0.000 1.000 105 T CB 2.771 71.706 68.868 0.111 0.000 1.103 105 T HN 0.436 nan 8.240 nan 0.000 0.486 106 P HA 0.430 nan 4.420 nan 0.000 0.292 106 P C -1.011 176.255 177.300 -0.056 0.000 1.283 106 P CA -0.653 62.466 63.100 0.031 0.000 0.835 106 P CB 0.935 32.678 31.700 0.071 0.000 1.017 107 N N 2.949 121.568 118.700 -0.134 0.000 2.472 107 N HA 0.284 5.024 4.740 -0.000 0.000 0.289 107 N C -1.642 173.816 175.510 -0.086 0.000 1.156 107 N CA -1.873 51.131 53.050 -0.078 0.000 0.940 107 N CB 0.443 38.900 38.487 -0.049 0.000 1.200 107 N HN 0.230 nan 8.380 nan 0.000 0.511 108 P HA -0.101 nan 4.420 nan 0.000 0.221 108 P C 0.357 177.635 177.300 -0.037 0.000 1.145 108 P CA 1.175 64.252 63.100 -0.038 0.000 0.795 108 P CB 0.153 31.839 31.700 -0.024 0.000 0.775 109 D N -1.970 118.407 120.400 -0.038 0.000 2.340 109 D HA 0.110 4.750 4.640 -0.000 0.000 0.220 109 D C 1.433 177.712 176.300 -0.035 0.000 1.039 109 D CA 0.547 54.533 54.000 -0.025 0.000 0.866 109 D CB -0.764 40.030 40.800 -0.010 0.000 0.913 109 D HN 0.235 nan 8.370 nan 0.000 0.523 110 G N -0.068 108.683 108.800 -0.082 0.000 2.194 110 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 110 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 110 G C 0.513 175.300 174.900 -0.188 0.000 0.987 110 G CA 0.409 45.444 45.100 -0.108 0.000 0.635 110 G HN 0.815 nan 8.290 nan 0.000 0.520 111 S N -0.649 114.962 115.700 -0.148 0.000 2.652 111 S HA 0.804 5.274 4.470 -0.000 0.000 0.267 111 S C -0.161 174.244 174.600 -0.325 0.000 1.201 111 S CA -0.306 57.842 58.200 -0.088 0.000 0.996 111 S CB 1.358 64.585 63.200 0.046 0.000 1.054 111 S HN 0.606 nan 8.310 nan 0.000 0.561 112 Y N -0.701 119.683 120.300 0.140 0.000 2.576 112 Y HA 0.493 5.043 4.550 -0.000 0.000 0.346 112 Y C -0.075 175.925 175.900 0.167 0.000 1.018 112 Y CA -1.146 57.055 58.100 0.169 0.000 1.050 112 Y CB 1.724 40.289 38.460 0.176 0.000 1.280 112 Y HN 0.619 nan 8.280 nan 0.000 0.474 113 N N 1.026 119.920 118.700 0.324 0.000 2.400 113 N HA 0.484 5.224 4.740 -0.000 0.000 0.288 113 N C -1.541 174.146 175.510 0.295 0.000 1.024 113 N CA -0.455 52.746 53.050 0.252 0.000 0.894 113 N CB 2.408 40.988 38.487 0.155 0.000 1.173 113 N HN 0.248 nan 8.380 nan 0.000 0.487 114 V N 1.108 121.206 119.914 0.308 0.000 2.409 114 V HA 0.720 4.840 4.120 -0.000 0.000 0.291 114 V C -0.170 176.095 176.094 0.284 0.000 1.020 114 V CA -0.736 61.780 62.300 0.360 0.000 0.848 114 V CB 1.140 33.215 31.823 0.419 0.000 0.990 114 V HN 0.814 nan 8.190 nan 0.000 0.430 115 A N 5.183 128.136 122.820 0.222 0.000 2.401 115 A HA 0.985 5.305 4.320 -0.000 0.000 0.310 115 A C -1.271 176.325 177.584 0.019 0.000 1.075 115 A CA -0.579 51.473 52.037 0.026 0.000 0.746 115 A CB 1.679 20.627 19.000 -0.087 0.000 1.277 115 A HN 1.168 nan 8.150 nan 0.000 0.425 116 Y N -0.472 119.759 120.300 -0.115 0.000 2.581 116 Y HA 0.819 5.369 4.550 -0.000 0.000 0.345 116 Y C -0.901 174.894 175.900 -0.175 0.000 1.036 116 Y CA -1.159 56.807 58.100 -0.222 0.000 1.042 116 Y CB 1.366 39.874 38.460 0.080 0.000 1.289 116 Y HN 0.555 nan 8.280 nan 0.000 0.471 117 Q N 2.427 122.073 119.800 -0.256 0.000 2.372 117 Q HA 0.552 4.892 4.340 -0.000 0.000 0.273 117 Q C -1.951 174.066 176.000 0.028 0.000 1.078 117 Q CA -0.805 54.847 55.803 -0.251 0.000 0.806 117 Q CB 2.973 31.578 28.738 -0.222 0.000 1.332 117 Q HN 0.809 nan 8.270 nan 0.000 0.435 118 L N 2.265 123.538 121.223 0.083 0.000 2.287 118 L HA 0.697 5.036 4.340 -0.000 0.000 0.287 118 L C -1.511 175.354 176.870 -0.007 0.000 1.022 118 L CA -0.526 54.365 54.840 0.084 0.000 0.814 118 L CB 1.324 43.481 42.059 0.163 0.000 1.217 118 L HN 0.513 nan 8.230 nan 0.000 0.420 119 V N 4.565 124.445 119.914 -0.058 0.000 2.495 119 V HA 0.372 4.492 4.120 -0.000 0.000 0.298 119 V C -0.383 175.669 176.094 -0.069 0.000 1.031 119 V CA -0.852 61.407 62.300 -0.069 0.000 0.871 119 V CB 1.642 33.409 31.823 -0.093 0.000 0.988 119 V HN 0.750 nan 8.190 nan 0.000 0.432 120 D N 3.276 123.656 120.400 -0.033 0.000 2.304 120 D HA 0.186 4.826 4.640 -0.000 0.000 0.250 120 D C 0.451 176.746 176.300 -0.007 0.000 1.107 120 D CA 0.078 54.069 54.000 -0.015 0.000 0.885 120 D CB 1.959 42.760 40.800 0.002 0.000 1.192 120 D HN 0.751 nan 8.370 nan 0.000 0.436 121 T N 0.591 115.150 114.554 0.008 0.000 3.487 121 T HA 0.508 4.858 4.350 -0.000 0.000 0.287 121 T C 0.567 175.310 174.700 0.071 0.000 1.004 121 T CA -0.217 61.914 62.100 0.052 0.000 0.977 121 T CB 0.485 69.403 68.868 0.083 0.000 1.180 121 T HN 0.348 nan 8.240 nan 0.000 0.490 122 G N 1.117 109.947 108.800 0.049 0.000 2.581 122 G HA2 0.517 4.477 3.960 -0.000 0.000 0.194 122 G HA3 0.517 4.477 3.960 -0.000 0.000 0.194 122 G C 1.169 176.091 174.900 0.037 0.000 1.814 122 G CA 0.194 45.323 45.100 0.048 0.000 0.745 122 G HN 0.337 nan 8.290 nan 0.000 0.802 123 G N 0.037 108.854 108.800 0.028 0.000 2.623 123 G HA2 0.393 4.353 3.960 -0.000 0.000 0.214 123 G HA3 0.393 4.353 3.960 -0.000 0.000 0.214 123 G C 0.702 175.613 174.900 0.019 0.000 1.138 123 G CA 1.459 46.572 45.100 0.022 0.000 0.794 123 G HN 1.176 nan 8.290 nan 0.000 0.535 124 A N 0.936 123.767 122.820 0.019 0.000 3.355 124 A HA 0.648 4.968 4.320 -0.000 0.000 0.290 124 A C -2.775 174.818 177.584 0.016 0.000 0.973 124 A CA -1.112 50.934 52.037 0.015 0.000 0.933 124 A CB 0.922 19.928 19.000 0.010 0.000 1.138 124 A HN 0.088 nan 8.150 nan 0.000 0.490 125 P HA 0.306 nan 4.420 nan 0.000 0.267 125 P C 1.141 178.454 177.300 0.023 0.000 1.205 125 P CA 1.931 65.049 63.100 0.030 0.000 0.765 125 P CB 1.008 32.734 31.700 0.043 0.000 0.828 126 G N 2.053 110.863 108.800 0.018 0.000 2.241 126 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 126 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 126 G C 0.231 175.129 174.900 -0.004 0.000 0.998 126 G CA 0.063 45.169 45.100 0.009 0.000 0.621 126 G HN 0.617 nan 8.290 nan 0.000 0.519 127 T N 1.683 116.234 114.554 -0.004 0.000 2.851 127 T HA 0.455 4.805 4.350 -0.000 0.000 0.298 127 T C 0.576 175.266 174.700 -0.018 0.000 0.977 127 T CA -0.033 62.062 62.100 -0.009 0.000 1.126 127 T CB 2.172 71.038 68.868 -0.003 0.000 0.916 127 T HN 0.455 nan 8.240 nan 0.000 0.529 128 V N 6.144 126.042 119.914 -0.026 0.000 2.405 128 V HA 0.109 4.229 4.120 -0.000 0.000 0.264 128 V C 1.421 177.501 176.094 -0.022 0.000 1.048 128 V CA -0.005 62.273 62.300 -0.037 0.000 0.966 128 V CB 0.301 32.089 31.823 -0.059 0.000 1.015 128 V HN 0.850 nan 8.190 nan 0.000 0.477 129 L N 3.978 125.197 121.223 -0.006 0.000 2.156 129 L HA 0.263 4.602 4.340 -0.000 0.000 0.208 129 L C 1.023 177.911 176.870 0.031 0.000 1.095 129 L CA 1.252 56.100 54.840 0.014 0.000 0.770 129 L CB -0.090 41.985 42.059 0.026 0.000 0.914 129 L HN 0.776 nan 8.230 nan 0.000 0.439 130 A N -0.264 122.582 122.820 0.042 0.000 2.612 130 A HA 0.680 5.000 4.320 -0.000 0.000 0.293 130 A C -1.731 175.810 177.584 -0.072 0.000 1.075 130 A CA -0.515 51.561 52.037 0.065 0.000 0.680 130 A CB 1.684 20.812 19.000 0.214 0.000 1.279 130 A HN 0.096 nan 8.150 nan 0.000 0.411 131 Q N 0.925 120.582 119.800 -0.239 0.000 2.527 131 Q HA 0.782 5.122 4.340 -0.000 0.000 0.280 131 Q C -1.323 174.304 176.000 -0.621 0.000 0.977 131 Q CA -0.618 54.766 55.803 -0.698 0.000 0.837 131 Q CB 1.444 29.924 28.738 -0.430 0.000 1.454 131 Q HN 0.695 nan 8.270 nan 0.000 0.387 132 N N -0.213 117.956 118.700 -0.885 0.000 3.020 132 N HA 0.748 5.488 4.740 -0.000 0.000 0.248 132 N C -1.932 173.235 175.510 -0.572 0.000 1.480 132 N CA 0.117 52.882 53.050 -0.474 0.000 0.874 132 N CB 2.310 40.705 38.487 -0.152 0.000 1.433 132 N HN 0.914 nan 8.380 nan 0.000 0.530 133 S N 0.348 115.678 115.700 -0.617 0.000 2.546 133 S HA 0.762 5.232 4.470 -0.000 0.000 0.274 133 S C -1.923 172.301 174.600 -0.626 0.000 1.121 133 S CA -0.539 57.330 58.200 -0.550 0.000 0.887 133 S CB 0.796 63.860 63.200 -0.226 0.000 1.094 133 S HN 0.399 nan 8.310 nan 0.000 0.474 134 Y N 1.061 121.450 120.300 0.149 0.000 2.462 134 Y HA 0.566 5.116 4.550 -0.000 0.000 0.346 134 Y C 0.057 176.050 175.900 0.156 0.000 0.976 134 Y CA -0.953 57.239 58.100 0.153 0.000 1.044 134 Y CB 1.855 40.428 38.460 0.188 0.000 1.230 134 Y HN 0.743 nan 8.280 nan 0.000 0.455 135 K N 3.631 124.204 120.400 0.289 0.000 2.263 135 K HA 0.664 4.984 4.320 -0.000 0.000 0.272 135 K C -1.416 175.322 176.600 0.230 0.000 1.033 135 K CA -0.530 55.889 56.287 0.220 0.000 0.884 135 K CB 0.641 33.225 32.500 0.140 0.000 1.107 135 K HN 0.635 nan 8.250 nan 0.000 0.460 136 V N 0.770 120.845 119.914 0.268 0.000 3.007 136 V HA 0.454 4.574 4.120 -0.000 0.000 0.311 136 V C -0.520 175.755 176.094 0.302 0.000 1.120 136 V CA -1.359 61.103 62.300 0.270 0.000 0.980 136 V CB 1.463 33.480 31.823 0.323 0.000 1.033 136 V HN 0.944 nan 8.190 nan 0.000 0.429 137 N N 1.658 120.534 118.700 0.294 0.000 2.444 137 N HA 0.204 4.944 4.740 -0.000 0.000 0.255 137 N C 0.956 176.655 175.510 0.314 0.000 1.255 137 N CA -0.142 53.086 53.050 0.298 0.000 0.933 137 N CB 0.871 39.511 38.487 0.256 0.000 1.143 137 N HN 0.884 nan 8.380 nan 0.000 0.453 138 K N -0.048 120.529 120.400 0.294 0.000 2.160 138 K HA -0.254 4.066 4.320 -0.000 0.000 0.206 138 K C 1.177 177.769 176.600 -0.014 0.000 1.047 138 K CA 1.298 57.670 56.287 0.142 0.000 0.930 138 K CB -0.272 32.310 32.500 0.137 0.000 0.720 138 K HN 0.596 nan 8.250 nan 0.000 0.450 139 Q N 0.105 119.888 119.800 -0.028 0.000 2.224 139 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 139 Q C 0.839 176.455 176.000 -0.639 0.000 0.970 139 Q CA 1.269 56.887 55.803 -0.308 0.000 0.865 139 Q CB -0.195 28.355 28.738 -0.312 0.000 0.922 139 Q HN 0.611 nan 8.270 nan 0.000 0.445 140 W N 0.531 121.840 121.300 0.014 0.000 3.194 140 W HA 0.321 4.981 4.660 -0.000 0.000 0.408 140 W C 1.408 177.968 176.519 0.068 0.000 1.072 140 W CA -0.504 56.860 57.345 0.031 0.000 1.953 140 W CB -0.187 29.252 29.460 -0.035 0.000 1.091 140 W HN -0.005 nan 8.180 nan 0.000 0.699 141 L N 0.354 121.618 121.223 0.068 0.000 2.017 141 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 141 L C 2.597 179.428 176.870 -0.066 0.000 1.073 141 L CA 1.549 56.382 54.840 -0.013 0.000 0.745 141 L CB -0.480 41.475 42.059 -0.174 0.000 0.894 141 L HN 0.025 nan 8.230 nan 0.000 0.432 142 R N -1.141 119.279 120.500 -0.133 0.000 2.083 142 R HA -0.247 4.093 4.340 -0.000 0.000 0.237 142 R C 2.285 178.484 176.300 -0.169 0.000 1.137 142 R CA 1.938 57.879 56.100 -0.265 0.000 0.951 142 R CB -0.780 29.360 30.300 -0.267 0.000 0.851 142 R HN 0.272 nan 8.270 nan 0.000 0.434 143 Y N 1.421 121.747 120.300 0.043 0.000 2.081 143 Y HA -0.342 4.208 4.550 -0.000 0.000 0.280 143 Y C 2.431 178.358 175.900 0.045 0.000 1.163 143 Y CA 1.818 60.044 58.100 0.210 0.000 1.135 143 Y CB -0.402 38.332 38.460 0.458 0.000 0.970 143 Y HN 0.110 nan 8.280 nan 0.000 0.498 144 A N -0.304 122.616 122.820 0.166 0.000 1.902 144 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 144 A C 2.464 179.979 177.584 -0.115 0.000 1.181 144 A CA 1.756 53.777 52.037 -0.027 0.000 0.623 144 A CB -1.643 17.464 19.000 0.178 0.000 0.818 144 A HN 0.598 nan 8.150 nan 0.000 0.443 145 G N -1.349 107.363 108.800 -0.146 0.000 2.394 145 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 145 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 145 G C 1.324 176.096 174.900 -0.214 0.000 1.165 145 G CA 1.042 46.015 45.100 -0.212 0.000 0.784 145 G HN 0.767 nan 8.290 nan 0.000 0.535 146 H N -0.061 118.924 119.070 -0.142 0.000 2.422 146 H HA -0.058 4.498 4.556 -0.000 0.000 0.298 146 H C 2.802 178.048 175.328 -0.137 0.000 1.098 146 H CA 1.377 57.365 56.048 -0.099 0.000 1.315 146 H CB 0.198 29.945 29.762 -0.025 0.000 1.382 146 H HN 0.299 nan 8.280 nan 0.000 0.523 147 T N 0.086 114.537 114.554 -0.171 0.000 2.777 147 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 147 T C 2.385 177.023 174.700 -0.102 0.000 1.040 147 T CA 0.921 62.862 62.100 -0.264 0.000 1.141 147 T CB -0.349 68.119 68.868 -0.667 0.000 0.868 147 T HN 0.484 nan 8.240 nan 0.000 0.444 148 A N 1.651 124.436 122.820 -0.058 0.000 1.877 148 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 148 A C 2.606 180.022 177.584 -0.280 0.000 1.186 148 A CA 2.040 53.960 52.037 -0.194 0.000 0.620 148 A CB -1.038 17.926 19.000 -0.059 0.000 0.822 148 A HN 0.436 nan 8.150 nan 0.000 0.443 149 S N 0.322 115.927 115.700 -0.158 0.000 2.372 149 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 149 S C 1.673 176.360 174.600 0.145 0.000 1.044 149 S CA 1.645 59.765 58.200 -0.133 0.000 1.050 149 S CB -0.554 62.431 63.200 -0.358 0.000 0.901 149 S HN 0.617 nan 8.310 nan 0.000 0.447 150 D N 0.983 121.517 120.400 0.223 0.000 2.123 150 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 150 D C 2.076 178.474 176.300 0.163 0.000 0.992 150 D CA 1.084 55.208 54.000 0.206 0.000 0.833 150 D CB -0.309 40.522 40.800 0.052 0.000 0.954 150 D HN 0.556 nan 8.370 nan 0.000 0.455 151 E N -0.003 120.239 120.200 0.070 0.000 2.107 151 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 151 E C 2.294 178.930 176.600 0.060 0.000 0.982 151 E CA 0.408 56.858 56.400 0.083 0.000 0.809 151 E CB 0.180 29.968 29.700 0.147 0.000 0.756 151 E HN 0.086 nan 8.360 nan 0.000 0.459 152 V N 1.211 121.095 119.914 -0.050 0.000 2.307 152 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 152 V C 2.015 178.134 176.094 0.041 0.000 1.045 152 V CA 1.750 64.020 62.300 -0.050 0.000 1.024 152 V CB -0.503 31.209 31.823 -0.185 0.000 0.651 152 V HN 0.235 nan 8.190 nan 0.000 0.449 153 F N 1.355 121.290 119.950 -0.025 0.000 2.065 153 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 153 F C 2.555 178.431 175.800 0.128 0.000 1.112 153 F CA 2.520 60.586 58.000 0.110 0.000 1.212 153 F CB -0.205 38.974 39.000 0.298 0.000 0.975 153 F HN 0.248 nan 8.300 nan 0.000 0.476 154 E N 0.137 120.477 120.200 0.232 0.000 2.106 154 E HA -0.274 4.076 4.350 -0.000 0.000 0.192 154 E C 2.133 178.742 176.600 0.016 0.000 0.984 154 E CA 1.236 57.687 56.400 0.085 0.000 0.806 154 E CB -0.164 29.607 29.700 0.118 0.000 0.750 154 E HN 0.249 nan 8.360 nan 0.000 0.458 155 K N 0.495 120.922 120.400 0.045 0.000 2.097 155 K HA -0.054 4.265 4.320 -0.000 0.000 0.205 155 K C 1.843 178.454 176.600 0.019 0.000 1.050 155 K CA 1.242 57.551 56.287 0.038 0.000 0.938 155 K CB -0.122 32.416 32.500 0.063 0.000 0.718 155 K HN 0.226 nan 8.250 nan 0.000 0.442 156 L N -0.293 120.944 121.223 0.023 0.000 2.416 156 L HA 0.047 4.387 4.340 -0.000 0.000 0.216 156 L C 1.737 178.596 176.870 -0.019 0.000 1.098 156 L CA 1.322 56.194 54.840 0.053 0.000 0.840 156 L CB -0.151 42.025 42.059 0.196 0.000 0.981 156 L HN 0.381 nan 8.230 nan 0.000 0.462 157 T N -5.596 108.875 114.554 -0.138 0.000 2.969 157 T HA 0.253 4.603 4.350 -0.000 0.000 0.250 157 T C 1.447 176.050 174.700 -0.161 0.000 1.021 157 T CA 0.596 62.557 62.100 -0.232 0.000 1.003 157 T CB 1.000 69.553 68.868 -0.525 0.000 1.040 157 T HN 0.296 nan 8.240 nan 0.000 0.492 158 G N 1.527 110.257 108.800 -0.116 0.000 2.176 158 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.253 158 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.253 158 G C -0.065 174.815 174.900 -0.034 0.000 0.979 158 G CA 0.130 45.198 45.100 -0.054 0.000 0.641 158 G HN 0.656 nan 8.290 nan 0.000 0.530 159 I N 0.647 121.182 120.570 -0.057 0.000 2.441 159 I HA 0.380 4.550 4.170 -0.000 0.000 0.295 159 I C 0.576 176.806 176.117 0.189 0.000 0.994 159 I CA -1.010 60.324 61.300 0.057 0.000 1.144 159 I CB 1.782 39.831 38.000 0.082 0.000 1.314 159 I HN 0.098 nan 8.210 nan 0.000 0.445 160 K N 3.956 124.443 120.400 0.145 0.000 2.382 160 K HA 0.327 4.646 4.320 -0.000 0.000 0.275 160 K C 0.208 176.877 176.600 0.115 0.000 1.009 160 K CA -0.149 56.186 56.287 0.080 0.000 0.970 160 K CB 0.782 33.226 32.500 -0.093 0.000 0.934 160 K HN 0.803 nan 8.250 nan 0.000 0.479 161 G N 1.349 110.151 108.800 0.004 0.000 2.448 161 G HA2 0.480 4.440 3.960 -0.000 0.000 0.285 161 G HA3 0.480 4.440 3.960 -0.000 0.000 0.285 161 G C -0.324 174.327 174.900 -0.414 0.000 1.176 161 G CA -0.378 44.486 45.100 -0.394 0.000 0.852 161 G HN 0.714 nan 8.290 nan 0.000 0.530 162 A N 0.808 123.112 122.820 -0.860 0.000 2.643 162 A HA 0.487 4.807 4.320 -0.000 0.000 0.295 162 A C 0.662 177.860 177.584 -0.643 0.000 1.065 162 A CA -0.397 51.321 52.037 -0.532 0.000 0.986 162 A CB 0.018 18.658 19.000 -0.601 0.000 1.212 162 A HN 0.463 nan 8.150 nan 0.000 0.516 163 F N 0.259 119.983 119.950 -0.376 0.000 2.661 163 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 163 F C 2.094 177.666 175.800 -0.380 0.000 1.137 163 F CA 0.667 58.384 58.000 -0.472 0.000 1.454 163 F CB 0.034 38.871 39.000 -0.272 0.000 1.103 163 F HN 0.242 nan 8.300 nan 0.000 0.577 164 R N 0.130 120.590 120.500 -0.067 0.000 2.334 164 R HA 0.094 4.434 4.340 -0.000 0.000 0.220 164 R C 0.756 177.108 176.300 0.087 0.000 0.917 164 R CA 0.311 56.405 56.100 -0.010 0.000 1.073 164 R CB -0.538 29.707 30.300 -0.091 0.000 1.056 164 R HN 0.242 nan 8.270 nan 0.000 0.506 165 T N -0.939 113.661 114.554 0.078 0.000 2.816 165 T HA 0.373 4.723 4.350 -0.000 0.000 0.282 165 T C 0.431 175.218 174.700 0.144 0.000 0.993 165 T CA -0.609 61.553 62.100 0.103 0.000 0.994 165 T CB 1.599 70.594 68.868 0.212 0.000 1.025 165 T HN 0.045 nan 8.240 nan 0.000 0.529 166 R N -0.160 120.337 120.500 -0.005 0.000 2.902 166 R HA 0.788 5.128 4.340 -0.000 0.000 0.258 166 R C -0.423 175.832 176.300 -0.075 0.000 1.071 166 R CA -1.038 55.077 56.100 0.025 0.000 1.024 166 R CB 1.473 31.839 30.300 0.110 0.000 1.184 166 R HN 0.817 nan 8.270 nan 0.000 0.492 167 I N -1.965 118.649 120.570 0.074 0.000 2.828 167 I HA 0.819 4.989 4.170 -0.000 0.000 0.302 167 I C -0.842 175.475 176.117 0.334 0.000 1.101 167 I CA -1.201 60.177 61.300 0.130 0.000 1.031 167 I CB 2.384 40.345 38.000 -0.065 0.000 1.231 167 I HN 0.571 nan 8.210 nan 0.000 0.427 168 A N 3.693 126.744 122.820 0.386 0.000 2.337 168 A HA 0.947 5.267 4.320 -0.000 0.000 0.331 168 A C -1.282 176.342 177.584 0.067 0.000 1.137 168 A CA -0.467 51.573 52.037 0.004 0.000 0.807 168 A CB 1.023 19.939 19.000 -0.139 0.000 1.250 168 A HN 0.903 nan 8.150 nan 0.000 0.468 169 Y N -1.900 118.398 120.300 -0.004 0.000 2.624 169 Y HA 0.619 5.169 4.550 0.000 0.000 0.334 169 Y C -1.117 174.799 175.900 0.028 0.000 1.155 169 Y CA -1.465 56.659 58.100 0.039 0.000 1.046 169 Y CB 0.727 39.196 38.460 0.014 0.000 1.316 169 Y HN 0.389 nan 8.280 nan 0.000 0.457 170 V N 2.708 122.798 119.914 0.293 0.000 2.427 170 V HA 0.589 4.709 4.120 -0.000 0.000 0.286 170 V C -0.516 175.732 176.094 0.257 0.000 1.034 170 V CA -0.772 61.662 62.300 0.223 0.000 0.893 170 V CB 1.407 33.428 31.823 0.330 0.000 0.982 170 V HN 0.674 nan 8.190 nan 0.000 0.452 171 V N 5.076 125.103 119.914 0.188 0.000 2.459 171 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 171 V C -0.169 175.982 176.094 0.095 0.000 1.029 171 V CA -0.560 61.829 62.300 0.147 0.000 0.874 171 V CB 1.626 33.525 31.823 0.127 0.000 0.985 171 V HN 0.933 nan 8.190 nan 0.000 0.438 172 Q N 3.255 123.086 119.800 0.051 0.000 2.381 172 Q HA 0.476 4.816 4.340 -0.000 0.000 0.263 172 Q C 0.017 175.957 176.000 -0.101 0.000 1.030 172 Q CA -0.488 55.283 55.803 -0.054 0.000 0.772 172 Q CB 1.541 30.278 28.738 -0.002 0.000 1.232 172 Q HN 0.969 nan 8.270 nan 0.000 0.476 173 T N 0.218 114.686 114.554 -0.143 0.000 2.810 173 T HA 0.260 4.610 4.350 -0.000 0.000 0.277 173 T C 0.869 175.482 174.700 -0.144 0.000 0.973 173 T CA -0.104 61.930 62.100 -0.109 0.000 0.949 173 T CB 0.784 69.604 68.868 -0.080 0.000 1.075 173 T HN 0.754 nan 8.240 nan 0.000 0.537 174 N N 0.053 118.693 118.700 -0.100 0.000 2.333 174 N HA 0.157 4.897 4.740 -0.000 0.000 0.183 174 N C 1.305 176.758 175.510 -0.095 0.000 1.030 174 N CA -0.096 52.894 53.050 -0.100 0.000 0.867 174 N CB -0.318 38.130 38.487 -0.064 0.000 1.027 174 N HN 0.703 nan 8.380 nan 0.000 0.435 175 G N -0.069 108.689 108.800 -0.070 0.000 2.508 175 G HA2 0.476 4.436 3.960 -0.000 0.000 0.278 175 G HA3 0.476 4.436 3.960 -0.000 0.000 0.278 175 G C 0.135 174.998 174.900 -0.061 0.000 1.389 175 G CA 0.249 45.315 45.100 -0.057 0.000 1.050 175 G HN 0.547 nan 8.290 nan 0.000 0.522 176 G N -2.283 106.493 108.800 -0.040 0.000 2.697 176 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.686 176 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.686 176 G C 0.276 175.146 174.900 -0.050 0.000 1.179 176 G CA 0.262 45.354 45.100 -0.014 0.000 0.765 176 G HN 0.668 nan 8.290 nan 0.000 0.649 177 Q N -0.398 119.382 119.800 -0.033 0.000 2.291 177 Q HA 0.171 4.511 4.340 -0.000 0.000 0.205 177 Q C 0.570 176.239 176.000 -0.551 0.000 0.970 177 Q CA 1.400 57.038 55.803 -0.275 0.000 0.876 177 Q CB 0.129 28.714 28.738 -0.255 0.000 0.935 177 Q HN 0.522 nan 8.270 nan 0.000 0.455 178 F N -0.013 119.925 119.950 -0.021 0.000 2.622 178 F HA 0.290 4.816 4.527 -0.000 0.000 0.338 178 F C -1.914 173.854 175.800 -0.052 0.000 1.334 178 F CA -1.949 56.046 58.000 -0.009 0.000 1.179 178 F CB 1.628 40.611 39.000 -0.028 0.000 1.471 178 F HN -0.072 nan 8.300 nan 0.000 0.576 179 P HA -0.033 nan 4.420 nan 0.000 0.249 179 P C -0.622 176.482 177.300 -0.328 0.000 1.229 179 P CA 0.733 63.689 63.100 -0.241 0.000 0.788 179 P CB 0.021 31.443 31.700 -0.464 0.000 1.072 180 Y N 0.409 120.747 120.300 0.065 0.000 2.328 180 Y HA 0.439 4.989 4.550 -0.000 0.000 0.337 180 Y C 0.706 176.625 175.900 0.032 0.000 0.966 180 Y CA -0.740 57.394 58.100 0.057 0.000 1.136 180 Y CB 1.598 40.101 38.460 0.072 0.000 1.170 180 Y HN -0.206 nan 8.280 nan 0.000 0.470 181 E N 3.077 123.357 120.200 0.134 0.000 2.234 181 E HA 0.379 4.729 4.350 -0.000 0.000 0.266 181 E C -1.635 174.949 176.600 -0.026 0.000 0.877 181 E CA -1.214 55.201 56.400 0.024 0.000 0.758 181 E CB 2.716 32.410 29.700 -0.009 0.000 1.170 181 E HN 0.399 nan 8.360 nan 0.000 0.415 182 L N 3.609 124.754 121.223 -0.131 0.000 2.264 182 L HA 0.390 4.730 4.340 -0.000 0.000 0.289 182 L C -0.722 175.942 176.870 -0.343 0.000 1.044 182 L CA 0.098 54.783 54.840 -0.258 0.000 0.807 182 L CB 0.379 42.173 42.059 -0.443 0.000 1.192 182 L HN 0.457 nan 8.230 nan 0.000 0.425 183 R N 3.448 123.656 120.500 -0.486 0.000 2.892 183 R HA 0.835 5.174 4.340 -0.000 0.000 0.265 183 R C -1.477 174.265 176.300 -0.929 0.000 1.025 183 R CA -1.110 54.590 56.100 -0.667 0.000 0.982 183 R CB 2.349 32.296 30.300 -0.589 0.000 1.185 183 R HN 0.438 nan 8.270 nan 0.000 0.484 184 V N 1.057 120.406 119.914 -0.941 0.000 2.789 184 V HA 0.461 4.581 4.120 -0.000 0.000 0.311 184 V C -0.491 175.337 176.094 -0.443 0.000 1.073 184 V CA -0.452 61.421 62.300 -0.712 0.000 0.921 184 V CB 2.082 33.497 31.823 -0.681 0.000 1.009 184 V HN 1.044 nan 8.190 nan 0.000 0.426 185 S N 1.979 117.636 115.700 -0.071 0.000 2.697 185 S HA 0.643 5.113 4.470 -0.000 0.000 0.289 185 S C -1.076 173.625 174.600 0.167 0.000 1.149 185 S CA -1.010 57.258 58.200 0.112 0.000 0.850 185 S CB 1.848 65.145 63.200 0.162 0.000 1.151 185 S HN 0.541 nan 8.310 nan 0.000 0.491 186 D N 0.880 121.386 120.400 0.177 0.000 2.390 186 D HA 0.107 4.747 4.640 -0.000 0.000 0.236 186 D C 1.053 177.375 176.300 0.038 0.000 1.189 186 D CA 0.168 54.262 54.000 0.158 0.000 0.887 186 D CB 0.003 40.922 40.800 0.198 0.000 1.198 186 D HN 0.762 nan 8.370 nan 0.000 0.444 187 Y N 0.253 120.548 120.300 -0.008 0.000 2.403 187 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 187 Y C 1.071 176.940 175.900 -0.052 0.000 1.143 187 Y CA 1.308 59.328 58.100 -0.133 0.000 1.257 187 Y CB -0.272 38.156 38.460 -0.055 0.000 0.984 187 Y HN 0.227 nan 8.280 nan 0.000 0.550 188 D N -0.990 118.831 120.400 -0.965 0.000 2.340 188 D HA 0.218 4.858 4.640 -0.000 0.000 0.217 188 D C 1.784 177.944 176.300 -0.232 0.000 1.081 188 D CA 0.384 53.954 54.000 -0.717 0.000 0.842 188 D CB 0.069 40.437 40.800 -0.721 0.000 0.934 188 D HN 0.532 nan 8.370 nan 0.000 0.511 189 G N -0.641 108.058 108.800 -0.169 0.000 2.213 189 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.236 189 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.236 189 G C -0.045 174.756 174.900 -0.166 0.000 0.991 189 G CA -0.052 44.952 45.100 -0.160 0.000 0.629 189 G HN 0.342 nan 8.290 nan 0.000 0.517 190 Y N 0.861 121.130 120.300 -0.052 0.000 2.357 190 Y HA 0.409 4.959 4.550 -0.000 0.000 0.340 190 Y C 1.575 177.492 175.900 0.028 0.000 1.260 190 Y CA 0.527 58.617 58.100 -0.017 0.000 1.425 190 Y CB 0.337 38.782 38.460 -0.025 0.000 1.326 190 Y HN 0.261 nan 8.280 nan 0.000 0.580 191 N N 0.581 119.381 118.700 0.167 0.000 2.758 191 N HA -0.256 4.484 4.740 -0.000 0.000 0.248 191 N C -0.458 175.174 175.510 0.203 0.000 1.076 191 N CA 0.668 53.804 53.050 0.143 0.000 0.696 191 N CB -0.901 37.659 38.487 0.122 0.000 0.979 191 N HN 0.748 nan 8.380 nan 0.000 0.550 192 Q N 0.098 119.981 119.800 0.137 0.000 2.352 192 Q HA 0.382 4.722 4.340 -0.000 0.000 0.260 192 Q C -0.254 175.869 176.000 0.205 0.000 0.976 192 Q CA -0.080 55.789 55.803 0.111 0.000 0.881 192 Q CB 0.434 29.209 28.738 0.061 0.000 1.235 192 Q HN 0.305 nan 8.270 nan 0.000 0.419 193 F N -0.087 119.854 119.950 -0.015 0.000 2.643 193 F HA 0.616 5.143 4.527 -0.000 0.000 0.314 193 F C -1.545 174.218 175.800 -0.061 0.000 1.096 193 F CA -1.354 56.629 58.000 -0.027 0.000 0.953 193 F CB 0.660 39.654 39.000 -0.010 0.000 1.345 193 F HN 0.130 nan 8.300 nan 0.000 0.468 194 V N 2.760 122.718 119.914 0.073 0.000 2.406 194 V HA 0.191 4.311 4.120 -0.000 0.000 0.272 194 V C 0.672 176.772 176.094 0.010 0.000 1.043 194 V CA -0.369 61.897 62.300 -0.057 0.000 0.915 194 V CB 0.912 32.716 31.823 -0.033 0.000 0.988 194 V HN 0.899 nan 8.190 nan 0.000 0.466 195 V N 3.466 123.298 119.914 -0.138 0.000 2.379 195 V HA 0.034 4.154 4.120 -0.000 0.000 0.243 195 V C 0.524 176.631 176.094 0.021 0.000 1.035 195 V CA 1.313 63.578 62.300 -0.057 0.000 1.035 195 V CB -0.430 31.251 31.823 -0.236 0.000 0.673 195 V HN 0.993 nan 8.190 nan 0.000 0.457 196 H N -0.411 118.548 119.070 -0.185 0.000 3.087 196 H HA 0.553 5.109 4.556 -0.000 0.000 0.348 196 H C -0.585 174.687 175.328 -0.094 0.000 1.092 196 H CA -0.790 55.178 56.048 -0.134 0.000 1.285 196 H CB 1.081 30.715 29.762 -0.212 0.000 1.875 196 H HN 0.146 nan 8.280 nan 0.000 0.512 197 R N 2.738 122.917 120.500 -0.535 0.000 2.668 197 R HA 0.728 5.068 4.340 -0.000 0.000 0.279 197 R C -0.859 175.259 176.300 -0.303 0.000 0.976 197 R CA -1.137 54.781 56.100 -0.304 0.000 0.978 197 R CB 2.117 32.268 30.300 -0.250 0.000 1.133 197 R HN 0.481 nan 8.270 nan 0.000 0.484 198 S N 0.489 116.279 115.700 0.150 0.000 2.533 198 S HA 0.339 4.809 4.470 -0.000 0.000 0.271 198 S C -2.318 172.504 174.600 0.369 0.000 1.143 198 S CA -1.387 56.988 58.200 0.293 0.000 0.891 198 S CB 1.812 65.172 63.200 0.267 0.000 1.105 198 S HN 0.442 nan 8.310 nan 0.000 0.468 199 P HA 0.091 nan 4.420 nan 0.000 0.231 199 P C -0.272 177.167 177.300 0.232 0.000 1.168 199 P CA 0.632 63.745 63.100 0.022 0.000 0.779 199 P CB 0.245 31.832 31.700 -0.189 0.000 0.844 200 Q N -0.593 119.308 119.800 0.169 0.000 2.416 200 Q HA 0.466 4.805 4.340 -0.000 0.000 0.279 200 Q C -2.663 172.992 176.000 -0.576 0.000 1.101 200 Q CA -2.788 52.968 55.803 -0.078 0.000 0.830 200 Q CB 0.540 29.297 28.738 0.031 0.000 1.402 200 Q HN -0.083 nan 8.270 nan 0.000 0.445 201 P HA 0.033 nan 4.420 nan 0.000 0.267 201 P C -0.635 176.507 177.300 -0.263 0.000 1.201 201 P CA 0.522 63.024 63.100 -0.998 0.000 0.775 201 P CB 0.414 31.747 31.700 -0.612 0.000 0.854 202 L N 2.882 124.011 121.223 -0.156 0.000 2.362 202 L HA 0.581 4.921 4.340 -0.000 0.000 0.271 202 L C 0.176 176.921 176.870 -0.209 0.000 1.002 202 L CA -0.564 54.261 54.840 -0.025 0.000 0.818 202 L CB 1.448 43.512 42.059 0.008 0.000 1.298 202 L HN 0.281 nan 8.230 nan 0.000 0.420 203 M N 0.678 120.105 119.600 -0.288 0.000 2.572 203 M HA 0.386 4.865 4.480 -0.000 0.000 0.299 203 M C -0.038 175.901 176.300 -0.601 0.000 1.205 203 M CA -0.725 54.056 55.300 -0.866 0.000 0.876 203 M CB 2.182 34.519 32.600 -0.438 0.000 1.728 203 M HN 0.516 nan 8.290 nan 0.000 0.458 204 S N 0.438 115.647 115.700 -0.818 0.000 3.608 204 S HA -0.074 4.396 4.470 -0.000 0.000 0.382 204 S C -2.367 172.240 174.600 0.012 0.000 0.945 204 S CA -0.163 57.970 58.200 -0.112 0.000 1.256 204 S CB -1.953 61.259 63.200 0.021 0.000 0.913 204 S HN 0.541 nan 8.310 nan 0.000 0.518 205 P HA 0.491 nan 4.420 nan 0.000 0.269 205 P C -0.465 176.886 177.300 0.084 0.000 1.209 205 P CA -0.079 63.038 63.100 0.027 0.000 0.776 205 P CB 0.837 32.488 31.700 -0.082 0.000 0.876 206 A N 2.728 125.600 122.820 0.086 0.000 2.427 206 A HA 0.544 4.864 4.320 -0.000 0.000 0.298 206 A C -1.597 176.136 177.584 0.248 0.000 1.036 206 A CA -0.641 51.546 52.037 0.250 0.000 0.701 206 A CB 0.755 19.951 19.000 0.327 0.000 1.250 206 A HN 0.434 nan 8.150 nan 0.000 0.412 207 W N 1.960 123.409 121.300 0.249 0.000 2.376 207 W HA 0.498 5.158 4.660 -0.000 0.000 0.322 207 W C 1.042 177.445 176.519 -0.192 0.000 1.160 207 W CA 0.344 57.731 57.345 0.070 0.000 1.218 207 W CB 1.636 31.133 29.460 0.062 0.000 1.205 207 W HN 0.825 nan 8.180 nan 0.000 0.559 208 S N 2.817 118.251 115.700 -0.443 0.000 2.585 208 S HA 0.196 4.666 4.470 -0.000 0.000 0.273 208 S C -1.585 172.896 174.600 -0.199 0.000 1.339 208 S CA -1.014 56.638 58.200 -0.913 0.000 1.028 208 S CB 1.221 63.828 63.200 -0.988 0.000 0.906 208 S HN 0.359 nan 8.310 nan 0.000 0.528 209 P HA -0.072 nan 4.420 nan 0.000 0.222 209 P C 0.583 177.871 177.300 -0.020 0.000 1.147 209 P CA 1.194 64.273 63.100 -0.034 0.000 0.790 209 P CB -0.247 31.437 31.700 -0.028 0.000 0.780 210 D N -1.637 118.742 120.400 -0.035 0.000 2.339 210 D HA 0.094 4.734 4.640 -0.000 0.000 0.217 210 D C 1.499 177.823 176.300 0.040 0.000 1.050 210 D CA 0.547 54.547 54.000 0.001 0.000 0.856 210 D CB -0.810 39.986 40.800 -0.007 0.000 0.922 210 D HN 0.216 nan 8.370 nan 0.000 0.518 211 G N 0.168 109.017 108.800 0.083 0.000 2.199 211 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.254 211 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.254 211 G C 1.215 176.309 174.900 0.324 0.000 0.982 211 G CA 0.892 46.121 45.100 0.215 0.000 0.632 211 G HN 0.720 nan 8.290 nan 0.000 0.529 212 S N -0.769 115.026 115.700 0.158 0.000 2.478 212 S HA 0.370 4.840 4.470 -0.000 0.000 0.222 212 S C 0.880 175.536 174.600 0.094 0.000 1.008 212 S CA 1.142 59.416 58.200 0.124 0.000 0.928 212 S CB 0.359 63.592 63.200 0.054 0.000 0.781 212 S HN 0.613 nan 8.310 nan 0.000 0.518 213 K N 0.355 120.773 120.400 0.029 0.000 2.328 213 K HA 0.666 4.986 4.320 -0.000 0.000 0.246 213 K C -1.439 175.104 176.600 -0.095 0.000 0.955 213 K CA -0.677 55.593 56.287 -0.028 0.000 0.817 213 K CB 2.021 34.492 32.500 -0.049 0.000 1.208 213 K HN 0.085 nan 8.250 nan 0.000 0.432 214 L N 1.729 122.912 121.223 -0.067 0.000 2.381 214 L HA 0.508 4.848 4.340 -0.000 0.000 0.274 214 L C -0.655 176.292 176.870 0.129 0.000 0.988 214 L CA -0.913 53.865 54.840 -0.103 0.000 0.824 214 L CB 1.974 43.859 42.059 -0.290 0.000 1.263 214 L HN 0.796 nan 8.230 nan 0.000 0.410 215 A N 3.752 126.713 122.820 0.235 0.000 2.327 215 A HA 0.738 5.058 4.320 -0.000 0.000 0.283 215 A C -1.158 176.454 177.584 0.046 0.000 1.127 215 A CA -0.075 51.997 52.037 0.059 0.000 0.810 215 A CB 0.533 19.524 19.000 -0.016 0.000 1.066 215 A HN 0.679 nan 8.150 nan 0.000 0.492 216 Y N -1.549 118.666 120.300 -0.143 0.000 2.713 216 Y HA 0.619 5.169 4.550 -0.000 0.000 0.335 216 Y C -1.181 174.599 175.900 -0.200 0.000 1.222 216 Y CA -1.500 56.500 58.100 -0.167 0.000 1.061 216 Y CB 0.620 38.975 38.460 -0.174 0.000 1.314 216 Y HN 0.413 nan 8.280 nan 0.000 0.453 217 V N 1.642 121.535 119.914 -0.035 0.000 2.483 217 V HA 0.682 4.802 4.120 -0.000 0.000 0.295 217 V C -0.273 175.822 176.094 0.001 0.000 1.035 217 V CA -0.177 62.039 62.300 -0.140 0.000 0.896 217 V CB 1.427 33.174 31.823 -0.127 0.000 0.986 217 V HN 0.922 nan 8.190 nan 0.000 0.447 218 T N 3.302 117.795 114.554 -0.101 0.000 2.861 218 T HA 0.567 4.917 4.350 -0.000 0.000 0.287 218 T C -0.258 174.391 174.700 -0.085 0.000 1.003 218 T CA -0.277 61.844 62.100 0.036 0.000 0.977 218 T CB 0.887 69.822 68.868 0.112 0.000 0.996 218 T HN 0.348 nan 8.240 nan 0.000 0.448 219 F N 1.930 121.852 119.950 -0.047 0.000 2.664 219 F HA 0.229 4.756 4.527 -0.000 0.000 0.303 219 F C 2.196 177.981 175.800 -0.025 0.000 1.092 219 F CA -0.319 57.652 58.000 -0.048 0.000 1.305 219 F CB 0.311 39.269 39.000 -0.070 0.000 1.054 219 F HN 0.799 nan 8.300 nan 0.000 0.565 220 E N -0.076 120.210 120.200 0.143 0.000 2.209 220 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 220 E C 1.943 178.589 176.600 0.076 0.000 0.993 220 E CA 1.579 58.053 56.400 0.123 0.000 0.819 220 E CB -0.488 29.317 29.700 0.175 0.000 0.745 220 E HN 0.377 nan 8.360 nan 0.000 0.477 221 S N -0.360 115.359 115.700 0.032 0.000 2.555 221 S HA 0.165 4.635 4.470 -0.000 0.000 0.230 221 S C 1.650 176.260 174.600 0.017 0.000 0.978 221 S CA 0.591 58.794 58.200 0.005 0.000 0.934 221 S CB 0.053 63.225 63.200 -0.046 0.000 0.766 221 S HN 0.663 nan 8.310 nan 0.000 0.533 222 G N 1.273 110.105 108.800 0.054 0.000 2.195 222 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.224 222 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.224 222 G C 0.048 175.004 174.900 0.093 0.000 0.990 222 G CA -0.138 45.005 45.100 0.071 0.000 0.639 222 G HN 0.897 nan 8.290 nan 0.000 0.514 223 R N -0.559 119.963 120.500 0.037 0.000 2.766 223 R HA 0.698 5.037 4.340 -0.000 0.000 0.270 223 R C 0.047 176.146 176.300 -0.334 0.000 1.035 223 R CA -0.209 55.877 56.100 -0.024 0.000 0.911 223 R CB 0.318 30.590 30.300 -0.047 0.000 1.243 223 R HN 0.729 nan 8.270 nan 0.000 0.460 224 S N 0.042 115.362 115.700 -0.633 0.000 2.576 224 S HA 0.613 5.083 4.470 -0.000 0.000 0.276 224 S C -0.019 174.251 174.600 -0.551 0.000 1.339 224 S CA -0.285 57.306 58.200 -1.014 0.000 1.039 224 S CB 1.285 63.934 63.200 -0.918 0.000 0.902 224 S HN 0.800 nan 8.310 nan 0.000 0.516 225 A N 1.874 124.390 122.820 -0.505 0.000 2.449 225 A HA 0.703 5.023 4.320 -0.000 0.000 0.302 225 A C -1.141 176.182 177.584 -0.434 0.000 1.048 225 A CA -0.845 50.947 52.037 -0.409 0.000 0.708 225 A CB 1.408 20.215 19.000 -0.322 0.000 1.274 225 A HN 1.049 nan 8.150 nan 0.000 0.410 226 L N 3.134 124.087 121.223 -0.451 0.000 2.296 226 L HA 0.802 5.142 4.340 -0.000 0.000 0.286 226 L C -0.345 176.227 176.870 -0.496 0.000 1.023 226 L CA -0.326 54.228 54.840 -0.477 0.000 0.812 226 L CB 1.555 43.310 42.059 -0.507 0.000 1.223 226 L HN 1.087 nan 8.230 nan 0.000 0.421 227 V N 2.759 122.332 119.914 -0.567 0.000 3.102 227 V HA 0.674 4.794 4.120 -0.000 0.000 0.312 227 V C -0.617 175.176 176.094 -0.501 0.000 1.135 227 V CA -0.783 61.191 62.300 -0.542 0.000 1.022 227 V CB 2.102 33.549 31.823 -0.627 0.000 1.056 227 V HN 0.673 nan 8.190 nan 0.000 0.436 228 I N 1.984 122.361 120.570 -0.320 0.000 2.410 228 I HA 0.496 4.666 4.170 -0.000 0.000 0.286 228 I C -0.454 175.606 176.117 -0.096 0.000 1.009 228 I CA -0.257 60.957 61.300 -0.143 0.000 1.111 228 I CB 1.770 39.772 38.000 0.002 0.000 1.262 228 I HN 0.853 nan 8.210 nan 0.000 0.443 229 Q N 4.582 124.370 119.800 -0.020 0.000 2.293 229 Q HA 0.406 4.746 4.340 -0.000 0.000 0.261 229 Q C -0.916 175.117 176.000 0.055 0.000 0.960 229 Q CA -0.566 55.261 55.803 0.041 0.000 0.882 229 Q CB 1.671 30.508 28.738 0.164 0.000 1.275 229 Q HN 0.561 nan 8.270 nan 0.000 0.445 230 T N 5.319 119.899 114.554 0.044 0.000 2.779 230 T HA 0.160 4.510 4.350 -0.000 0.000 0.296 230 T C 1.345 176.086 174.700 0.069 0.000 0.938 230 T CA -0.144 61.984 62.100 0.048 0.000 1.119 230 T CB 0.428 69.316 68.868 0.033 0.000 0.891 230 T HN 0.626 nan 8.240 nan 0.000 0.526 231 L N 2.446 123.724 121.223 0.092 0.000 2.093 231 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 231 L C 2.800 179.726 176.870 0.092 0.000 1.085 231 L CA 1.083 56.010 54.840 0.144 0.000 0.755 231 L CB -0.571 41.630 42.059 0.237 0.000 0.904 231 L HN 0.748 nan 8.230 nan 0.000 0.435 232 A N 0.938 123.791 122.820 0.056 0.000 2.014 232 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 232 A C 1.682 179.269 177.584 0.006 0.000 1.163 232 A CA 1.751 53.797 52.037 0.013 0.000 0.652 232 A CB -0.591 18.418 19.000 0.015 0.000 0.808 232 A HN 0.752 nan 8.150 nan 0.000 0.449 233 N N -3.819 114.894 118.700 0.022 0.000 2.143 233 N HA 0.334 5.074 4.740 -0.000 0.000 0.222 233 N C 0.847 176.373 175.510 0.028 0.000 1.264 233 N CA 0.442 53.502 53.050 0.016 0.000 0.897 233 N CB 0.644 39.137 38.487 0.011 0.000 1.092 233 N HN 0.474 nan 8.380 nan 0.000 0.516 234 G N 0.604 109.433 108.800 0.047 0.000 2.168 234 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 234 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 234 G C 0.314 175.241 174.900 0.044 0.000 0.977 234 G CA 0.116 45.252 45.100 0.061 0.000 0.659 234 G HN 0.748 nan 8.290 nan 0.000 0.533 235 A N -0.360 122.477 122.820 0.029 0.000 2.520 235 A HA 0.583 4.903 4.320 -0.000 0.000 0.245 235 A C 0.473 178.056 177.584 -0.001 0.000 1.072 235 A CA 0.570 52.613 52.037 0.011 0.000 0.761 235 A CB 0.822 19.825 19.000 0.005 0.000 1.004 235 A HN 1.154 nan 8.150 nan 0.000 0.499 236 V N 4.197 124.097 119.914 -0.023 0.000 2.417 236 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 236 V C 0.462 176.503 176.094 -0.088 0.000 1.024 236 V CA -0.552 61.707 62.300 -0.067 0.000 0.861 236 V CB 1.359 33.130 31.823 -0.088 0.000 0.985 236 V HN 0.954 nan 8.190 nan 0.000 0.436 237 R N 4.198 124.632 120.500 -0.110 0.000 2.295 237 R HA 0.382 4.722 4.340 -0.000 0.000 0.324 237 R C -0.508 175.682 176.300 -0.183 0.000 0.968 237 R CA -0.687 55.343 56.100 -0.117 0.000 0.837 237 R CB 0.971 31.221 30.300 -0.083 0.000 1.133 237 R HN 0.636 nan 8.270 nan 0.000 0.450 238 Q N 3.318 123.007 119.800 -0.185 0.000 2.286 238 Q HA 0.050 4.390 4.340 -0.000 0.000 0.267 238 Q C 0.543 176.387 176.000 -0.260 0.000 1.028 238 Q CA 0.039 55.699 55.803 -0.238 0.000 0.901 238 Q CB 1.687 30.296 28.738 -0.214 0.000 1.183 238 Q HN 0.550 nan 8.270 nan 0.000 0.392 239 V N 1.050 120.760 119.914 -0.340 0.000 2.627 239 V HA 0.279 4.398 4.120 -0.000 0.000 0.239 239 V C 0.387 176.223 176.094 -0.430 0.000 1.077 239 V CA 1.175 63.242 62.300 -0.388 0.000 1.103 239 V CB 0.301 31.808 31.823 -0.527 0.000 0.802 239 V HN 0.776 nan 8.190 nan 0.000 0.482 240 A N -0.854 121.672 122.820 -0.491 0.000 2.465 240 A HA 0.697 5.017 4.320 -0.000 0.000 0.292 240 A C -0.435 176.844 177.584 -0.508 0.000 1.041 240 A CA 0.021 51.759 52.037 -0.498 0.000 0.718 240 A CB 1.853 20.660 19.000 -0.321 0.000 1.266 240 A HN 0.033 nan 8.150 nan 0.000 0.403 241 S N 2.338 117.642 115.700 -0.659 0.000 2.399 241 S HA 0.529 4.999 4.470 -0.000 0.000 0.198 241 S C -0.647 173.653 174.600 -0.500 0.000 1.294 241 S CA -0.360 57.554 58.200 -0.476 0.000 1.237 241 S CB -0.740 62.239 63.200 -0.368 0.000 1.286 241 S HN 0.476 nan 8.310 nan 0.000 0.404 242 F N 2.197 122.044 119.950 -0.172 0.000 2.435 242 F HA 0.404 4.931 4.527 -0.000 0.000 0.316 242 F C -1.575 174.162 175.800 -0.104 0.000 1.220 242 F CA -1.890 56.034 58.000 -0.126 0.000 1.241 242 F CB -0.284 38.640 39.000 -0.127 0.000 1.234 242 F HN 0.222 nan 8.300 nan 0.000 0.569 243 P HA 0.081 nan 4.420 nan 0.000 0.270 243 P C -0.311 177.033 177.300 0.073 0.000 1.221 243 P CA 0.173 63.315 63.100 0.068 0.000 0.788 243 P CB 0.415 32.155 31.700 0.067 0.000 0.904 244 R N -1.780 118.757 120.500 0.061 0.000 3.895 244 R HA -0.270 4.070 4.340 -0.000 0.000 0.431 244 R C 0.344 176.704 176.300 0.100 0.000 0.241 244 R CA 1.006 57.160 56.100 0.089 0.000 1.369 244 R CB -1.886 28.471 30.300 0.094 0.000 1.017 244 R HN 0.671 nan 8.270 nan 0.000 0.556 245 H N 1.822 120.905 119.070 0.021 0.000 2.473 245 H HA 0.390 4.946 4.556 -0.000 0.000 0.327 245 H C -0.784 174.541 175.328 -0.005 0.000 1.105 245 H CA -0.323 55.726 56.048 0.002 0.000 1.280 245 H CB 0.729 30.520 29.762 0.049 0.000 1.450 245 H HN 0.283 nan 8.280 nan 0.000 0.492 246 N N 3.794 122.074 118.700 -0.699 0.000 2.531 246 N HA 0.427 5.167 4.740 -0.000 0.000 0.268 246 N C -0.707 174.380 175.510 -0.704 0.000 1.023 246 N CA -0.222 52.538 53.050 -0.484 0.000 0.896 246 N CB 2.042 40.306 38.487 -0.371 0.000 1.233 246 N HN 0.837 nan 8.380 nan 0.000 0.512 247 G N -0.074 108.481 108.800 -0.408 0.000 2.494 247 G HA2 0.547 4.507 3.960 -0.000 0.000 0.308 247 G HA3 0.547 4.507 3.960 -0.000 0.000 0.308 247 G C -1.113 173.830 174.900 0.073 0.000 1.263 247 G CA 0.068 45.053 45.100 -0.191 0.000 0.840 247 G HN 0.565 nan 8.290 nan 0.000 0.479 248 A N 0.002 122.896 122.820 0.125 0.000 2.416 248 A HA 0.006 4.326 4.320 -0.000 0.000 0.293 248 A C -1.889 175.778 177.584 0.139 0.000 1.452 248 A CA 1.038 53.167 52.037 0.153 0.000 0.738 248 A CB -1.824 17.282 19.000 0.177 0.000 1.123 248 A HN 0.704 nan 8.150 nan 0.000 0.389 249 P HA 0.615 nan 4.420 nan 0.000 0.276 249 P C -0.263 177.125 177.300 0.147 0.000 1.252 249 P CA 0.390 63.546 63.100 0.094 0.000 0.802 249 P CB 1.596 33.274 31.700 -0.036 0.000 1.035 250 A N 1.332 124.262 122.820 0.184 0.000 2.512 250 A HA 0.554 4.874 4.320 -0.000 0.000 0.294 250 A C -1.317 176.559 177.584 0.486 0.000 1.054 250 A CA -0.488 51.767 52.037 0.363 0.000 0.756 250 A CB 0.331 19.543 19.000 0.353 0.000 1.293 250 A HN 0.277 nan 8.150 nan 0.000 0.395 251 F N 2.263 122.423 119.950 0.351 0.000 2.396 251 F HA 0.437 4.964 4.527 -0.000 0.000 0.343 251 F C 1.542 177.214 175.800 -0.213 0.000 1.104 251 F CA 0.567 58.655 58.000 0.147 0.000 1.161 251 F CB 1.660 40.715 39.000 0.092 0.000 1.146 251 F HN 0.650 nan 8.300 nan 0.000 0.522 252 S N 3.640 118.970 115.700 -0.616 0.000 2.572 252 S HA 0.143 4.613 4.470 -0.000 0.000 0.279 252 S C -1.937 172.377 174.600 -0.478 0.000 1.341 252 S CA -1.086 56.284 58.200 -1.383 0.000 1.043 252 S CB 0.977 63.251 63.200 -1.542 0.000 0.887 252 S HN 0.401 nan 8.310 nan 0.000 0.516 253 P HA -0.037 nan 4.420 nan 0.000 0.225 253 P C 0.488 177.726 177.300 -0.102 0.000 1.148 253 P CA 1.035 64.066 63.100 -0.115 0.000 0.779 253 P CB -0.230 31.448 31.700 -0.037 0.000 0.780 254 D N -1.806 118.502 120.400 -0.153 0.000 2.325 254 D HA 0.133 4.773 4.640 -0.000 0.000 0.225 254 D C 1.439 177.698 176.300 -0.068 0.000 1.096 254 D CA 0.213 54.160 54.000 -0.087 0.000 0.844 254 D CB -0.930 39.822 40.800 -0.080 0.000 0.925 254 D HN 0.185 nan 8.370 nan 0.000 0.513 255 G N 0.355 109.113 108.800 -0.070 0.000 2.212 255 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.266 255 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.266 255 G C 1.210 176.116 174.900 0.010 0.000 0.978 255 G CA 0.881 45.972 45.100 -0.016 0.000 0.632 255 G HN 0.685 nan 8.290 nan 0.000 0.537 256 S N -1.146 114.530 115.700 -0.039 0.000 2.486 256 S HA 0.438 4.908 4.470 -0.000 0.000 0.220 256 S C 0.837 175.443 174.600 0.010 0.000 1.011 256 S CA 1.137 59.330 58.200 -0.012 0.000 0.921 256 S CB 0.600 63.783 63.200 -0.029 0.000 0.785 256 S HN 0.585 nan 8.310 nan 0.000 0.517 257 K N -0.043 120.337 120.400 -0.034 0.000 2.444 257 K HA 0.667 4.987 4.320 -0.000 0.000 0.252 257 K C -2.017 174.631 176.600 0.080 0.000 0.993 257 K CA -0.852 55.452 56.287 0.028 0.000 0.847 257 K CB 2.072 34.580 32.500 0.013 0.000 1.340 257 K HN 0.113 nan 8.250 nan 0.000 0.446 258 L N 1.356 122.673 121.223 0.156 0.000 2.356 258 L HA 0.631 4.971 4.340 -0.000 0.000 0.277 258 L C -1.249 175.857 176.870 0.393 0.000 0.996 258 L CA -0.192 54.722 54.840 0.123 0.000 0.822 258 L CB 1.624 43.613 42.059 -0.117 0.000 1.256 258 L HN 0.790 nan 8.230 nan 0.000 0.413 259 A N 4.407 127.509 122.820 0.471 0.000 2.295 259 A HA 0.896 5.216 4.320 -0.000 0.000 0.318 259 A C -0.925 176.781 177.584 0.204 0.000 1.134 259 A CA -0.238 51.909 52.037 0.183 0.000 0.827 259 A CB 0.466 19.394 19.000 -0.120 0.000 1.136 259 A HN 0.838 nan 8.150 nan 0.000 0.493 260 F N -1.899 118.053 119.950 0.002 0.000 2.926 260 F HA 0.774 5.301 4.527 -0.000 0.000 0.321 260 F C -0.493 175.328 175.800 0.034 0.000 1.168 260 F CA -0.771 57.225 58.000 -0.008 0.000 0.890 260 F CB 0.990 39.959 39.000 -0.051 0.000 1.357 260 F HN 0.886 nan 8.300 nan 0.000 0.468 261 A N 1.376 124.360 122.820 0.273 0.000 2.371 261 A HA 0.878 5.197 4.320 -0.000 0.000 0.311 261 A C -1.785 175.933 177.584 0.224 0.000 1.068 261 A CA -0.783 51.367 52.037 0.188 0.000 0.744 261 A CB 1.433 20.530 19.000 0.161 0.000 1.239 261 A HN 0.808 nan 8.150 nan 0.000 0.435 262 L N 1.717 123.049 121.223 0.182 0.000 2.381 262 L HA 0.519 4.859 4.340 -0.000 0.000 0.268 262 L C 0.862 177.798 176.870 0.110 0.000 0.997 262 L CA -0.518 54.351 54.840 0.049 0.000 0.818 262 L CB 2.624 44.492 42.059 -0.319 0.000 1.310 262 L HN 0.838 nan 8.230 nan 0.000 0.416 263 S N -0.788 114.975 115.700 0.105 0.000 2.593 263 S HA 0.006 4.476 4.470 -0.000 0.000 0.236 263 S C 1.175 175.808 174.600 0.054 0.000 0.991 263 S CA -0.491 57.768 58.200 0.098 0.000 0.963 263 S CB -0.114 63.161 63.200 0.126 0.000 0.865 263 S HN 0.760 nan 8.310 nan 0.000 0.488 264 K N 1.716 122.122 120.400 0.010 0.000 2.360 264 K HA -0.137 4.183 4.320 -0.000 0.000 0.201 264 K C 1.586 178.178 176.600 -0.013 0.000 1.046 264 K CA 1.792 58.072 56.287 -0.011 0.000 0.940 264 K CB -1.099 31.355 32.500 -0.076 0.000 0.748 264 K HN 0.511 nan 8.250 nan 0.000 0.465 265 T N -3.858 110.697 114.554 0.002 0.000 3.088 265 T HA 0.258 4.608 4.350 -0.000 0.000 0.259 265 T C 1.498 176.203 174.700 0.008 0.000 1.122 265 T CA 0.427 62.530 62.100 0.004 0.000 1.095 265 T CB 0.380 69.255 68.868 0.013 0.000 0.930 265 T HN 0.493 nan 8.240 nan 0.000 0.508 266 G N 0.691 109.502 108.800 0.018 0.000 2.296 266 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.188 266 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.188 266 G C 0.162 175.074 174.900 0.019 0.000 1.000 266 G CA 0.080 45.190 45.100 0.017 0.000 0.672 266 G HN 1.392 nan 8.290 nan 0.000 0.483 267 S N -0.647 115.066 115.700 0.022 0.000 2.596 267 S HA 0.761 5.230 4.470 -0.000 0.000 0.270 267 S C -0.509 174.113 174.600 0.038 0.000 1.155 267 S CA -0.942 57.271 58.200 0.022 0.000 0.827 267 S CB 1.765 64.967 63.200 0.003 0.000 1.130 267 S HN 0.762 nan 8.310 nan 0.000 0.467 268 L N 2.450 123.700 121.223 0.045 0.000 2.455 268 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 268 L C 0.411 177.301 176.870 0.035 0.000 1.174 268 L CA -0.014 54.869 54.840 0.072 0.000 0.869 268 L CB 0.026 42.135 42.059 0.083 0.000 1.130 268 L HN 0.623 nan 8.230 nan 0.000 0.474 269 N N 2.696 121.434 118.700 0.064 0.000 2.509 269 N HA 0.569 5.309 4.740 -0.000 0.000 0.280 269 N C -1.014 174.443 175.510 -0.088 0.000 1.306 269 N CA -0.675 52.334 53.050 -0.068 0.000 0.782 269 N CB 2.265 40.666 38.487 -0.142 0.000 1.493 269 N HN 0.319 nan 8.380 nan 0.000 0.498 270 L N 1.441 122.452 121.223 -0.354 0.000 2.357 270 L HA 0.442 4.782 4.340 -0.000 0.000 0.273 270 L C -0.900 175.608 176.870 -0.603 0.000 1.080 270 L CA -0.369 54.237 54.840 -0.390 0.000 0.803 270 L CB 0.348 42.068 42.059 -0.565 0.000 1.174 270 L HN 0.442 nan 8.230 nan 0.000 0.443 271 Y N 0.878 120.810 120.300 -0.615 0.000 2.609 271 Y HA 0.643 5.192 4.550 -0.000 0.000 0.342 271 Y C -0.252 175.164 175.900 -0.808 0.000 1.058 271 Y CA -0.866 56.807 58.100 -0.712 0.000 1.055 271 Y CB 2.188 40.100 38.460 -0.913 0.000 1.292 271 Y HN 0.088 nan 8.280 nan 0.000 0.476 272 V N 2.940 122.662 119.914 -0.319 0.000 2.789 272 V HA 0.483 4.603 4.120 -0.000 0.000 0.311 272 V C -0.754 175.387 176.094 0.079 0.000 1.073 272 V CA -0.975 61.262 62.300 -0.106 0.000 0.921 272 V CB 2.143 34.001 31.823 0.058 0.000 1.009 272 V HN 0.793 nan 8.190 nan 0.000 0.426 273 M N 3.034 122.804 119.600 0.284 0.000 2.364 273 M HA 0.544 5.024 4.480 -0.000 0.000 0.334 273 M C -0.856 175.550 176.300 0.177 0.000 1.107 273 M CA -0.565 54.903 55.300 0.280 0.000 0.988 273 M CB 1.546 34.364 32.600 0.364 0.000 1.673 273 M HN 0.818 nan 8.290 nan 0.000 0.441 274 D N 3.680 124.156 120.400 0.126 0.000 2.339 274 D HA 0.183 4.823 4.640 -0.000 0.000 0.256 274 D C 0.795 177.143 176.300 0.080 0.000 1.214 274 D CA -0.071 53.983 54.000 0.090 0.000 0.877 274 D CB 0.697 41.539 40.800 0.069 0.000 1.111 274 D HN 0.709 nan 8.370 nan 0.000 0.478 275 L N 3.690 124.960 121.223 0.078 0.000 2.046 275 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 275 L C 2.405 179.307 176.870 0.054 0.000 1.077 275 L CA 1.263 56.148 54.840 0.075 0.000 0.747 275 L CB -0.467 41.657 42.059 0.107 0.000 0.896 275 L HN 0.577 nan 8.230 nan 0.000 0.432 276 A N 0.062 122.909 122.820 0.046 0.000 1.877 276 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 276 A C 2.464 180.066 177.584 0.030 0.000 1.186 276 A CA 2.187 54.245 52.037 0.034 0.000 0.620 276 A CB -0.582 18.435 19.000 0.029 0.000 0.822 276 A HN 0.515 nan 8.150 nan 0.000 0.443 277 S N -2.922 112.799 115.700 0.035 0.000 2.503 277 S HA 0.400 4.870 4.470 -0.000 0.000 0.215 277 S C 1.553 176.173 174.600 0.033 0.000 1.003 277 S CA 1.108 59.326 58.200 0.031 0.000 0.910 277 S CB 0.125 63.345 63.200 0.033 0.000 0.790 277 S HN 1.907 nan 8.310 nan 0.000 0.514 278 G N 0.827 109.651 108.800 0.041 0.000 2.205 278 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.261 278 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.261 278 G C -0.011 174.929 174.900 0.067 0.000 0.980 278 G CA 0.089 45.214 45.100 0.041 0.000 0.632 278 G HN 0.503 nan 8.290 nan 0.000 0.533 279 Q N 0.359 120.201 119.800 0.070 0.000 2.289 279 Q HA 0.473 4.813 4.340 -0.000 0.000 0.273 279 Q C 0.620 176.690 176.000 0.116 0.000 1.029 279 Q CA 0.401 56.253 55.803 0.082 0.000 0.896 279 Q CB 0.861 29.635 28.738 0.061 0.000 1.182 279 Q HN 0.593 nan 8.270 nan 0.000 0.385 280 I N 2.838 123.492 120.570 0.140 0.000 2.354 280 I HA 0.382 4.552 4.170 -0.000 0.000 0.292 280 I C 0.364 176.562 176.117 0.136 0.000 0.989 280 I CA -0.525 60.888 61.300 0.188 0.000 1.188 280 I CB 1.420 39.582 38.000 0.269 0.000 1.342 280 I HN 0.287 nan 8.210 nan 0.000 0.457 281 R N 5.755 126.314 120.500 0.099 0.000 2.599 281 R HA 0.356 4.696 4.340 -0.000 0.000 0.295 281 R C -0.798 175.458 176.300 -0.073 0.000 0.963 281 R CA -0.629 55.486 56.100 0.025 0.000 0.883 281 R CB 1.826 32.122 30.300 -0.007 0.000 1.171 281 R HN 0.637 nan 8.270 nan 0.000 0.450 282 Q N 2.854 122.541 119.800 -0.188 0.000 2.288 282 Q HA 0.179 4.519 4.340 -0.000 0.000 0.254 282 Q C -0.385 175.328 176.000 -0.478 0.000 0.932 282 Q CA -0.382 55.057 55.803 -0.607 0.000 0.902 282 Q CB 1.679 30.069 28.738 -0.580 0.000 1.203 282 Q HN 0.621 nan 8.270 nan 0.000 0.415 283 V N 2.184 121.744 119.914 -0.591 0.000 2.922 283 V HA 0.066 4.186 4.120 -0.000 0.000 0.242 283 V C 0.698 176.558 176.094 -0.390 0.000 1.094 283 V CA 1.267 63.321 62.300 -0.411 0.000 1.106 283 V CB 0.882 32.459 31.823 -0.410 0.000 0.799 283 V HN 0.962 nan 8.190 nan 0.000 0.474 284 T N -1.288 112.982 114.554 -0.474 0.000 2.916 284 T HA 0.565 4.915 4.350 -0.000 0.000 0.292 284 T C -0.636 173.875 174.700 -0.316 0.000 1.055 284 T CA -0.201 61.685 62.100 -0.356 0.000 1.009 284 T CB 2.226 70.867 68.868 -0.379 0.000 1.118 284 T HN 0.315 nan 8.240 nan 0.000 0.497 285 D N -0.385 119.891 120.400 -0.206 0.000 2.692 285 D HA 0.219 4.859 4.640 -0.000 0.000 0.290 285 D C 0.809 177.047 176.300 -0.104 0.000 1.455 285 D CA -0.455 53.450 54.000 -0.158 0.000 0.796 285 D CB -0.328 40.389 40.800 -0.139 0.000 1.131 285 D HN 0.848 nan 8.370 nan 0.000 0.467 286 G N 0.464 109.204 108.800 -0.099 0.000 2.636 286 G HA2 0.129 4.089 3.960 -0.000 0.000 0.246 286 G HA3 0.129 4.089 3.960 -0.000 0.000 0.246 286 G C 0.700 175.567 174.900 -0.055 0.000 1.216 286 G CA -0.693 44.365 45.100 -0.070 0.000 0.854 286 G HN 0.101 nan 8.290 nan 0.000 0.572 287 R N -0.357 120.118 120.500 -0.041 0.000 2.299 287 R HA 0.060 4.399 4.340 -0.000 0.000 0.197 287 R C 1.568 177.851 176.300 -0.028 0.000 0.971 287 R CA 0.509 56.592 56.100 -0.029 0.000 1.030 287 R CB 0.011 30.298 30.300 -0.021 0.000 0.932 287 R HN 0.574 nan 8.270 nan 0.000 0.477 288 S N 0.391 116.066 115.700 -0.041 0.000 2.634 288 S HA 0.176 4.646 4.470 -0.000 0.000 0.261 288 S C 0.100 174.679 174.600 -0.034 0.000 1.271 288 S CA -0.891 57.282 58.200 -0.045 0.000 0.985 288 S CB 0.826 63.979 63.200 -0.078 0.000 0.968 288 S HN 0.039 nan 8.310 nan 0.000 0.568 289 N N 2.134 120.819 118.700 -0.025 0.000 2.455 289 N HA 0.332 5.072 4.740 -0.000 0.000 0.280 289 N C -1.136 174.382 175.510 0.013 0.000 1.055 289 N CA -0.283 52.765 53.050 -0.003 0.000 0.961 289 N CB 0.505 38.996 38.487 0.006 0.000 1.121 289 N HN 0.564 nan 8.380 nan 0.000 0.476 290 N N 0.795 119.513 118.700 0.031 0.000 2.480 290 N HA 0.323 5.062 4.740 -0.000 0.000 0.289 290 N C -0.713 174.836 175.510 0.065 0.000 1.073 290 N CA -0.215 52.890 53.050 0.091 0.000 0.885 290 N CB 2.457 40.929 38.487 -0.025 0.000 1.421 290 N HN 0.470 nan 8.380 nan 0.000 0.503 291 T N -0.382 114.265 114.554 0.154 0.000 2.648 291 T HA 0.234 4.584 4.350 -0.000 0.000 0.304 291 T C -1.286 173.509 174.700 0.157 0.000 1.312 291 T CA -0.229 61.943 62.100 0.120 0.000 1.023 291 T CB 0.516 69.455 68.868 0.119 0.000 1.612 291 T HN 0.584 nan 8.240 nan 0.000 0.487 292 E N 1.022 121.304 120.200 0.136 0.000 2.252 292 E HA -0.113 4.237 4.350 -0.000 0.000 0.218 292 E C -2.550 174.126 176.600 0.127 0.000 1.253 292 E CA 0.197 56.679 56.400 0.136 0.000 0.705 292 E CB -0.976 28.803 29.700 0.131 0.000 1.172 292 E HN 0.378 nan 8.360 nan 0.000 0.369 293 P HA 0.073 nan 4.420 nan 0.000 0.275 293 P C -0.256 177.028 177.300 -0.027 0.000 1.228 293 P CA 0.088 63.185 63.100 -0.005 0.000 0.786 293 P CB 1.719 33.312 31.700 -0.179 0.000 0.927 294 T N 1.656 116.171 114.554 -0.065 0.000 2.933 294 T HA 0.465 4.815 4.350 -0.000 0.000 0.305 294 T C -1.601 173.045 174.700 -0.090 0.000 1.092 294 T CA -0.574 61.509 62.100 -0.029 0.000 1.008 294 T CB 0.392 69.255 68.868 -0.008 0.000 1.102 294 T HN 0.196 nan 8.240 nan 0.000 0.469 295 W N 3.863 125.191 121.300 0.046 0.000 2.272 295 W HA 0.582 5.242 4.660 -0.000 0.000 0.318 295 W C 0.067 176.574 176.519 -0.019 0.000 1.255 295 W CA -0.792 56.606 57.345 0.089 0.000 1.200 295 W CB 0.412 29.934 29.460 0.103 0.000 1.170 295 W HN 0.526 nan 8.180 nan 0.000 0.549 296 F N 3.628 123.743 119.950 0.274 0.000 2.440 296 F HA 0.129 4.656 4.527 -0.000 0.000 0.323 296 F C -0.839 175.079 175.800 0.196 0.000 1.192 296 F CA -1.782 56.325 58.000 0.177 0.000 1.252 296 F CB -0.216 38.864 39.000 0.134 0.000 1.214 296 F HN 0.221 nan 8.300 nan 0.000 0.578 297 P HA -0.126 nan 4.420 nan 0.000 0.225 297 P C 0.594 177.988 177.300 0.157 0.000 1.148 297 P CA 1.197 64.397 63.100 0.165 0.000 0.779 297 P CB -0.089 31.681 31.700 0.117 0.000 0.780 298 D N -2.009 118.516 120.400 0.208 0.000 2.363 298 D HA -0.025 4.615 4.640 -0.000 0.000 0.220 298 D C 0.314 176.702 176.300 0.147 0.000 0.994 298 D CA 0.321 54.412 54.000 0.151 0.000 0.890 298 D CB -0.908 39.975 40.800 0.138 0.000 0.906 298 D HN -0.146 nan 8.370 nan 0.000 0.530 299 S N -0.788 115.039 115.700 0.211 0.000 3.587 299 S HA -0.179 4.291 4.470 -0.000 0.000 0.337 299 S C 0.750 175.536 174.600 0.310 0.000 1.119 299 S CA 0.939 59.204 58.200 0.108 0.000 0.976 299 S CB -1.130 61.970 63.200 -0.166 0.000 0.922 299 S HN 0.460 nan 8.310 nan 0.000 0.503 300 Q N -0.621 119.443 119.800 0.440 0.000 2.427 300 Q HA 0.247 4.587 4.340 -0.000 0.000 0.249 300 Q C 0.129 176.283 176.000 0.257 0.000 0.783 300 Q CA 0.247 56.241 55.803 0.318 0.000 0.978 300 Q CB 0.285 29.115 28.738 0.153 0.000 1.273 300 Q HN 0.567 nan 8.270 nan 0.000 0.524 301 N N 1.026 119.877 118.700 0.251 0.000 2.405 301 N HA 0.482 5.222 4.740 -0.000 0.000 0.299 301 N C -0.721 174.946 175.510 0.262 0.000 1.075 301 N CA -0.186 52.933 53.050 0.115 0.000 0.884 301 N CB 1.994 40.368 38.487 -0.189 0.000 1.194 301 N HN -0.000 nan 8.380 nan 0.000 0.491 302 L N 1.287 122.572 121.223 0.105 0.000 2.329 302 L HA 0.645 4.985 4.340 -0.000 0.000 0.279 302 L C 0.373 177.482 176.870 0.398 0.000 1.014 302 L CA -0.881 54.006 54.840 0.079 0.000 0.814 302 L CB 1.716 43.620 42.059 -0.258 0.000 1.257 302 L HN 0.450 nan 8.230 nan 0.000 0.424 303 A N 2.794 125.840 122.820 0.377 0.000 2.279 303 A HA 0.928 5.248 4.320 -0.000 0.000 0.303 303 A C -0.809 176.953 177.584 0.297 0.000 1.108 303 A CA -0.209 52.010 52.037 0.303 0.000 0.830 303 A CB 0.813 19.890 19.000 0.128 0.000 1.106 303 A HN 0.656 nan 8.150 nan 0.000 0.493 304 F N -2.342 117.632 119.950 0.039 0.000 2.842 304 F HA 0.571 5.098 4.527 -0.000 0.000 0.319 304 F C -0.699 175.128 175.800 0.044 0.000 1.159 304 F CA -0.778 57.227 58.000 0.009 0.000 0.902 304 F CB 0.700 39.677 39.000 -0.038 0.000 1.311 304 F HN 0.374 nan 8.300 nan 0.000 0.453 305 T N 1.866 116.520 114.554 0.167 0.000 2.771 305 T HA 0.567 4.917 4.350 -0.000 0.000 0.291 305 T C -0.635 174.103 174.700 0.064 0.000 0.954 305 T CA -0.336 61.791 62.100 0.045 0.000 1.045 305 T CB 1.072 69.985 68.868 0.075 0.000 0.917 305 T HN 0.809 nan 8.240 nan 0.000 0.484 306 S N 1.455 117.091 115.700 -0.108 0.000 2.548 306 S HA 0.411 4.881 4.470 -0.000 0.000 0.286 306 S C -0.131 174.388 174.600 -0.134 0.000 1.098 306 S CA -0.898 57.195 58.200 -0.178 0.000 0.930 306 S CB 1.224 64.070 63.200 -0.590 0.000 1.070 306 S HN 0.755 nan 8.310 nan 0.000 0.480 307 D N 2.373 122.716 120.400 -0.095 0.000 2.358 307 D HA 0.048 4.688 4.640 -0.000 0.000 0.224 307 D C 1.218 177.476 176.300 -0.070 0.000 1.123 307 D CA -0.038 53.929 54.000 -0.056 0.000 0.833 307 D CB -0.083 40.701 40.800 -0.027 0.000 0.946 307 D HN 0.626 nan 8.370 nan 0.000 0.505 308 Q N 0.362 120.068 119.800 -0.156 0.000 2.197 308 Q HA -0.199 4.141 4.340 -0.000 0.000 0.207 308 Q C 1.491 177.485 176.000 -0.010 0.000 0.984 308 Q CA 1.754 57.485 55.803 -0.119 0.000 0.869 308 Q CB -0.087 28.503 28.738 -0.247 0.000 0.906 308 Q HN 0.417 nan 8.270 nan 0.000 0.426 309 A N -1.040 121.808 122.820 0.048 0.000 2.275 309 A HA 0.424 4.744 4.320 -0.000 0.000 0.212 309 A C 0.975 178.582 177.584 0.038 0.000 1.201 309 A CA 0.885 52.966 52.037 0.073 0.000 0.843 309 A CB 0.147 19.203 19.000 0.094 0.000 0.873 309 A HN 0.605 nan 8.150 nan 0.000 0.492 310 G N -0.232 108.579 108.800 0.018 0.000 2.433 310 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.211 310 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.211 310 G C -0.220 174.682 174.900 0.003 0.000 1.214 310 G CA -0.468 44.638 45.100 0.011 0.000 1.271 310 G HN 0.431 nan 8.290 nan 0.000 0.503 311 R N 1.834 122.335 120.500 0.003 0.000 2.698 311 R HA 0.307 4.647 4.340 -0.000 0.000 0.266 311 R C -2.325 173.972 176.300 -0.005 0.000 1.026 311 R CA -0.770 55.328 56.100 -0.004 0.000 1.102 311 R CB -0.067 30.228 30.300 -0.007 0.000 0.978 311 R HN 0.221 nan 8.270 nan 0.000 0.436 312 P HA -0.062 nan 4.420 nan 0.000 0.264 312 P C -0.481 176.810 177.300 -0.015 0.000 1.183 312 P CA 0.696 63.792 63.100 -0.007 0.000 0.763 312 P CB 0.629 32.323 31.700 -0.010 0.000 0.807 313 Q N 0.807 120.613 119.800 0.009 0.000 2.544 313 Q HA 0.476 4.816 4.340 -0.000 0.000 0.291 313 Q C -1.003 174.973 176.000 -0.040 0.000 1.068 313 Q CA -0.982 54.784 55.803 -0.061 0.000 0.785 313 Q CB 1.904 30.543 28.738 -0.164 0.000 1.481 313 Q HN 0.071 nan 8.270 nan 0.000 0.430 314 V N 1.671 121.479 119.914 -0.177 0.000 2.465 314 V HA 0.376 4.496 4.120 -0.000 0.000 0.279 314 V C -0.931 174.953 176.094 -0.350 0.000 1.045 314 V CA -0.330 61.857 62.300 -0.188 0.000 0.938 314 V CB 0.328 32.063 31.823 -0.147 0.000 0.986 314 V HN 0.542 nan 8.190 nan 0.000 0.467 315 Y N 2.721 122.627 120.300 -0.656 0.000 2.562 315 Y HA 0.606 5.156 4.550 -0.000 0.000 0.343 315 Y C 0.167 175.746 175.900 -0.535 0.000 1.025 315 Y CA -1.097 56.572 58.100 -0.719 0.000 1.082 315 Y CB 1.884 39.698 38.460 -1.076 0.000 1.264 315 Y HN 0.446 nan 8.280 nan 0.000 0.478 316 K N 1.459 121.845 120.400 -0.024 0.000 2.324 316 K HA 0.778 5.098 4.320 -0.000 0.000 0.253 316 K C -2.064 174.699 176.600 0.272 0.000 0.932 316 K CA -0.756 55.631 56.287 0.165 0.000 0.799 316 K CB 2.105 34.645 32.500 0.066 0.000 1.154 316 K HN 0.541 nan 8.250 nan 0.000 0.425 317 V N 3.465 123.558 119.914 0.299 0.000 2.932 317 V HA 0.291 4.411 4.120 -0.000 0.000 0.307 317 V C -1.319 174.794 176.094 0.031 0.000 1.147 317 V CA -0.929 61.469 62.300 0.163 0.000 0.951 317 V CB 2.080 34.013 31.823 0.185 0.000 1.031 317 V HN 0.964 nan 8.190 nan 0.000 0.426 318 N N 3.566 122.264 118.700 -0.003 0.000 2.520 318 N HA 0.293 5.033 4.740 -0.000 0.000 0.273 318 N C 1.355 176.850 175.510 -0.026 0.000 1.155 318 N CA 0.047 53.089 53.050 -0.013 0.000 0.967 318 N CB 1.077 39.556 38.487 -0.013 0.000 1.092 318 N HN 0.732 nan 8.380 nan 0.000 0.457 319 I N 0.419 120.983 120.570 -0.009 0.000 3.001 319 I HA -0.074 4.096 4.170 -0.000 0.000 0.268 319 I C 0.713 176.813 176.117 -0.028 0.000 1.267 319 I CA 0.712 61.989 61.300 -0.038 0.000 1.472 319 I CB -0.210 37.806 38.000 0.027 0.000 1.089 319 I HN 0.487 nan 8.210 nan 0.000 0.468 320 N N 1.645 120.342 118.700 -0.005 0.000 2.336 320 N HA 0.175 4.915 4.740 -0.000 0.000 0.177 320 N C 0.909 176.405 175.510 -0.023 0.000 1.018 320 N CA 1.131 54.177 53.050 -0.008 0.000 0.878 320 N CB 0.509 39.001 38.487 0.009 0.000 0.997 320 N HN 0.559 nan 8.380 nan 0.000 0.433 321 G N -1.576 107.211 108.800 -0.023 0.000 2.547 321 G HA2 0.503 4.463 3.960 -0.000 0.000 0.291 321 G HA3 0.503 4.463 3.960 -0.000 0.000 0.291 321 G C -1.015 173.874 174.900 -0.018 0.000 1.471 321 G CA -0.019 45.066 45.100 -0.026 0.000 0.798 321 G HN 0.365 nan 8.290 nan 0.000 0.504 322 G N -1.498 107.293 108.800 -0.015 0.000 2.592 322 G HA2 0.543 4.503 3.960 -0.000 0.000 0.685 322 G HA3 0.543 4.503 3.960 -0.000 0.000 0.685 322 G C -0.088 174.818 174.900 0.011 0.000 1.278 322 G CA 0.194 45.295 45.100 0.002 0.000 0.822 322 G HN 2.212 nan 8.290 nan 0.000 0.652 323 A N 2.282 125.120 122.820 0.030 0.000 2.340 323 A HA 0.867 5.187 4.320 -0.000 0.000 0.268 323 A C -1.442 176.201 177.584 0.098 0.000 1.100 323 A CA -0.968 51.098 52.037 0.049 0.000 0.803 323 A CB 0.111 19.142 19.000 0.052 0.000 1.043 323 A HN 0.656 nan 8.150 nan 0.000 0.488 324 P HA 0.223 nan 4.420 nan 0.000 0.270 324 P C -0.675 176.800 177.300 0.291 0.000 1.223 324 P CA -0.015 63.253 63.100 0.280 0.000 0.785 324 P CB 0.414 32.375 31.700 0.434 0.000 0.923 325 Q N 1.308 121.260 119.800 0.253 0.000 2.321 325 Q HA 0.324 4.664 4.340 -0.000 0.000 0.270 325 Q C -0.545 175.339 176.000 -0.193 0.000 1.032 325 Q CA -1.025 54.850 55.803 0.121 0.000 0.784 325 Q CB 1.324 30.111 28.738 0.082 0.000 1.264 325 Q HN 0.232 nan 8.270 nan 0.000 0.448 326 R N 3.866 123.980 120.500 -0.643 0.000 2.522 326 R HA 0.070 4.410 4.340 -0.000 0.000 0.284 326 R C 0.549 176.382 176.300 -0.779 0.000 1.032 326 R CA 0.641 55.855 56.100 -1.476 0.000 1.049 326 R CB 0.222 29.550 30.300 -1.620 0.000 0.956 326 R HN 0.835 nan 8.270 nan 0.000 0.422 327 I N -0.718 119.423 120.570 -0.716 0.000 4.227 327 I HA 0.276 4.446 4.170 -0.000 0.000 0.334 327 I C -0.118 175.789 176.117 -0.349 0.000 1.341 327 I CA -0.436 60.670 61.300 -0.323 0.000 1.123 327 I CB 1.257 39.198 38.000 -0.097 0.000 1.097 327 I HN 0.323 nan 8.210 nan 0.000 0.399 328 T N 0.862 115.047 114.554 -0.615 0.000 2.821 328 T HA 0.322 4.672 4.350 -0.000 0.000 0.307 328 T C -0.700 173.706 174.700 -0.490 0.000 1.034 328 T CA -0.133 61.743 62.100 -0.373 0.000 0.953 328 T CB 0.416 69.116 68.868 -0.280 0.000 0.968 328 T HN 0.402 nan 8.240 nan 0.000 0.462 329 W N 1.915 123.168 121.300 -0.077 0.000 2.871 329 W HA 0.289 4.949 4.660 -0.000 0.000 0.340 329 W C 0.712 177.207 176.519 -0.040 0.000 1.058 329 W CA -0.538 56.767 57.345 -0.066 0.000 1.633 329 W CB 0.794 30.216 29.460 -0.063 0.000 1.067 329 W HN 0.448 nan 8.180 nan 0.000 0.554 330 E N 0.655 120.935 120.200 0.134 0.000 2.175 330 E HA 0.523 4.873 4.350 -0.000 0.000 0.278 330 E C 0.438 177.060 176.600 0.037 0.000 0.969 330 E CA -0.213 56.237 56.400 0.083 0.000 0.796 330 E CB 1.305 31.046 29.700 0.069 0.000 1.104 330 E HN 0.014 nan 8.360 nan 0.000 0.395 331 G N 1.344 110.165 108.800 0.036 0.000 2.690 331 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.686 331 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.686 331 G C 0.540 175.444 174.900 0.008 0.000 1.277 331 G CA -0.202 44.910 45.100 0.018 0.000 0.799 331 G HN 0.596 nan 8.290 nan 0.000 0.613 332 S N -0.558 115.146 115.700 0.006 0.000 2.489 332 S HA 0.247 4.717 4.470 -0.000 0.000 0.228 332 S C 0.780 175.372 174.600 -0.013 0.000 0.995 332 S CA 1.859 60.060 58.200 0.002 0.000 0.934 332 S CB 0.287 63.490 63.200 0.005 0.000 0.771 332 S HN 1.397 nan 8.310 nan 0.000 0.522 333 Q N 0.063 119.850 119.800 -0.022 0.000 2.443 333 Q HA 0.402 4.742 4.340 -0.000 0.000 0.258 333 Q C -2.280 173.697 176.000 -0.038 0.000 0.967 333 Q CA -0.572 55.212 55.803 -0.032 0.000 0.951 333 Q CB 1.077 29.799 28.738 -0.026 0.000 1.459 333 Q HN 0.369 nan 8.270 nan 0.000 0.415 334 N N 3.167 121.838 118.700 -0.049 0.000 2.308 334 N HA 0.398 5.138 4.740 -0.000 0.000 0.283 334 N C -1.664 173.820 175.510 -0.042 0.000 1.105 334 N CA -0.393 52.628 53.050 -0.048 0.000 0.840 334 N CB 2.380 40.827 38.487 -0.067 0.000 1.633 334 N HN 0.736 nan 8.380 nan 0.000 0.476 335 Q N -0.449 119.335 119.800 -0.026 0.000 2.738 335 Q HA 0.306 4.646 4.340 -0.000 0.000 0.301 335 Q C -1.639 174.366 176.000 0.009 0.000 0.901 335 Q CA -0.570 55.227 55.803 -0.010 0.000 0.756 335 Q CB 1.379 30.116 28.738 -0.002 0.000 1.463 335 Q HN 0.335 nan 8.270 nan 0.000 0.432 336 D N -0.698 119.722 120.400 0.033 0.000 2.760 336 D HA -0.141 4.499 4.640 -0.000 0.000 0.244 336 D C -1.068 175.264 176.300 0.054 0.000 1.123 336 D CA 1.222 55.258 54.000 0.059 0.000 0.719 336 D CB -0.977 39.858 40.800 0.059 0.000 1.045 336 D HN 0.885 nan 8.370 nan 0.000 0.426 337 A N 1.151 123.996 122.820 0.042 0.000 2.286 337 A HA 0.573 4.893 4.320 -0.000 0.000 0.286 337 A C 0.051 177.651 177.584 0.026 0.000 1.097 337 A CA -0.183 51.867 52.037 0.022 0.000 0.821 337 A CB 1.072 20.068 19.000 -0.007 0.000 1.076 337 A HN 0.310 nan 8.150 nan 0.000 0.490 338 D N 0.524 120.926 120.400 0.002 0.000 2.575 338 D HA 0.417 5.057 4.640 -0.000 0.000 0.250 338 D C -0.989 175.239 176.300 -0.119 0.000 1.279 338 D CA -0.173 53.819 54.000 -0.012 0.000 0.925 338 D CB 1.464 42.295 40.800 0.052 0.000 1.261 338 D HN 0.237 nan 8.370 nan 0.000 0.567 339 V N 3.159 122.952 119.914 -0.203 0.000 2.614 339 V HA 0.270 4.390 4.120 -0.000 0.000 0.291 339 V C 1.049 176.912 176.094 -0.385 0.000 1.049 339 V CA -0.483 61.594 62.300 -0.372 0.000 1.038 339 V CB 1.085 32.540 31.823 -0.613 0.000 0.980 339 V HN 0.729 nan 8.190 nan 0.000 0.481 340 S N 3.296 118.636 115.700 -0.601 0.000 2.584 340 S HA 0.048 4.518 4.470 -0.000 0.000 0.270 340 S C 1.475 175.868 174.600 -0.344 0.000 1.346 340 S CA 0.041 57.849 58.200 -0.652 0.000 1.018 340 S CB 0.946 63.348 63.200 -1.329 0.000 0.899 340 S HN 1.066 nan 8.310 nan 0.000 0.542 341 S N 0.450 116.003 115.700 -0.245 0.000 2.419 341 S HA -0.177 4.293 4.470 -0.000 0.000 0.233 341 S C 1.038 175.595 174.600 -0.072 0.000 1.016 341 S CA 1.074 59.198 58.200 -0.128 0.000 0.974 341 S CB -0.810 62.321 63.200 -0.115 0.000 0.786 341 S HN 0.945 nan 8.310 nan 0.000 0.492 342 D N 0.047 120.395 120.400 -0.087 0.000 2.349 342 D HA 0.283 4.922 4.640 -0.000 0.000 0.214 342 D C 1.407 177.702 176.300 -0.008 0.000 1.063 342 D CA 0.479 54.469 54.000 -0.016 0.000 0.847 342 D CB -0.559 40.257 40.800 0.026 0.000 0.933 342 D HN 0.512 nan 8.370 nan 0.000 0.513 343 G N 0.908 109.661 108.800 -0.079 0.000 2.189 343 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.267 343 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.267 343 G C 1.250 176.165 174.900 0.025 0.000 0.975 343 G CA 0.564 45.657 45.100 -0.010 0.000 0.644 343 G HN 0.369 nan 8.290 nan 0.000 0.537 344 K N -0.672 119.737 120.400 0.015 0.000 2.296 344 K HA 0.254 4.574 4.320 -0.000 0.000 0.200 344 K C 0.854 177.585 176.600 0.219 0.000 1.048 344 K CA 1.374 57.745 56.287 0.141 0.000 0.966 344 K CB -0.029 32.597 32.500 0.210 0.000 0.754 344 K HN 0.887 nan 8.250 nan 0.000 0.466 345 F N -0.799 119.156 119.950 0.008 0.000 2.741 345 F HA 0.501 5.028 4.527 0.000 0.000 0.313 345 F C -1.187 174.588 175.800 -0.041 0.000 1.153 345 F CA -1.731 56.266 58.000 -0.004 0.000 0.931 345 F CB 0.888 39.886 39.000 -0.004 0.000 1.335 345 F HN -0.194 nan 8.300 nan 0.000 0.460 346 M N 2.381 122.041 119.600 0.100 0.000 2.593 346 M HA 0.863 5.343 4.480 -0.000 0.000 0.290 346 M C -1.630 174.775 176.300 0.175 0.000 1.244 346 M CA -1.085 54.196 55.300 -0.031 0.000 0.857 346 M CB 2.396 34.947 32.600 -0.082 0.000 1.738 346 M HN 0.948 nan 8.290 nan 0.000 0.461 347 V N 0.701 120.683 119.914 0.114 0.000 2.881 347 V HA 0.924 5.044 4.120 -0.000 0.000 0.316 347 V C -0.409 175.719 176.094 0.056 0.000 1.070 347 V CA -0.642 61.730 62.300 0.121 0.000 0.976 347 V CB 1.817 33.730 31.823 0.150 0.000 1.038 347 V HN 1.219 nan 8.190 nan 0.000 0.446 348 M N 1.455 121.075 119.600 0.035 0.000 3.147 348 M HA 0.733 5.213 4.480 -0.000 0.000 0.276 348 M C -2.022 174.276 176.300 -0.004 0.000 1.211 348 M CA -0.820 54.490 55.300 0.016 0.000 0.820 348 M CB 1.797 34.399 32.600 0.004 0.000 1.621 348 M HN 0.378 nan 8.290 nan 0.000 0.507 349 V N 1.791 121.700 119.914 -0.009 0.000 2.370 349 V HA 0.578 4.697 4.120 -0.000 0.000 0.279 349 V C -0.405 175.671 176.094 -0.030 0.000 1.029 349 V CA -0.271 62.012 62.300 -0.028 0.000 0.870 349 V CB 1.387 33.193 31.823 -0.028 0.000 0.984 349 V HN 0.811 nan 8.190 nan 0.000 0.451 350 S N 3.180 118.862 115.700 -0.029 0.000 2.478 350 S HA 0.590 5.060 4.470 -0.000 0.000 0.312 350 S C -0.216 174.360 174.600 -0.040 0.000 1.094 350 S CA -0.504 57.682 58.200 -0.023 0.000 1.081 350 S CB 1.626 64.826 63.200 0.001 0.000 1.007 350 S HN 0.727 nan 8.310 nan 0.000 0.475 351 S N 3.846 119.521 115.700 -0.043 0.000 2.472 351 S HA 0.637 5.107 4.470 -0.000 0.000 0.303 351 S C -0.569 174.013 174.600 -0.029 0.000 1.099 351 S CA -0.934 57.231 58.200 -0.058 0.000 1.077 351 S CB 0.727 63.890 63.200 -0.061 0.000 1.031 351 S HN 0.703 nan 8.310 nan 0.000 0.487 352 N N 0.529 119.215 118.700 -0.024 0.000 2.431 352 N HA 0.330 5.070 4.740 -0.000 0.000 0.275 352 N C -0.048 175.466 175.510 0.006 0.000 1.091 352 N CA -0.284 52.767 53.050 0.001 0.000 0.922 352 N CB 1.925 40.424 38.487 0.020 0.000 1.666 352 N HN 0.918 nan 8.380 nan 0.000 0.484 353 G N 0.661 109.468 108.800 0.012 0.000 2.295 353 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.287 353 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.287 353 G C 1.005 175.918 174.900 0.022 0.000 1.055 353 G CA 1.156 46.268 45.100 0.020 0.000 0.922 353 G HN 1.508 nan 8.290 nan 0.000 0.503 354 G N -2.090 106.717 108.800 0.011 0.000 2.184 354 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 354 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 354 G C 0.288 175.193 174.900 0.009 0.000 0.975 354 G CA 1.439 46.549 45.100 0.017 0.000 0.642 354 G HN 1.222 nan 8.290 nan 0.000 0.536 355 Q N -0.570 119.213 119.800 -0.029 0.000 2.416 355 Q HA 0.672 5.012 4.340 -0.000 0.000 0.279 355 Q C -0.211 175.634 176.000 -0.259 0.000 1.101 355 Q CA -0.762 54.971 55.803 -0.116 0.000 0.830 355 Q CB 1.567 30.258 28.738 -0.078 0.000 1.402 355 Q HN 0.595 nan 8.270 nan 0.000 0.445 356 Q N 0.303 119.815 119.800 -0.479 0.000 2.315 356 Q HA 0.630 4.970 4.340 -0.000 0.000 0.273 356 Q C -1.543 174.084 176.000 -0.623 0.000 1.053 356 Q CA -0.695 54.858 55.803 -0.417 0.000 0.817 356 Q CB 2.105 30.700 28.738 -0.238 0.000 1.326 356 Q HN 0.691 nan 8.270 nan 0.000 0.423 357 H N 0.539 119.573 119.070 -0.060 0.000 3.008 357 H HA 0.465 5.020 4.556 -0.000 0.000 0.354 357 H C -0.743 174.505 175.328 -0.133 0.000 1.252 357 H CA -1.116 54.877 56.048 -0.091 0.000 1.117 357 H CB 1.513 31.241 29.762 -0.057 0.000 1.857 357 H HN 0.504 nan 8.280 nan 0.000 0.547 358 I N 1.733 122.254 120.570 -0.080 0.000 2.441 358 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 358 I C 0.391 176.469 176.117 -0.066 0.000 1.049 358 I CA 0.028 61.232 61.300 -0.159 0.000 1.381 358 I CB 0.117 37.875 38.000 -0.402 0.000 1.409 358 I HN 0.602 nan 8.210 nan 0.000 0.523 359 A N 6.868 129.672 122.820 -0.026 0.000 2.454 359 A HA 0.686 5.006 4.320 -0.000 0.000 0.302 359 A C -0.428 177.169 177.584 0.020 0.000 1.079 359 A CA -0.814 51.221 52.037 -0.002 0.000 0.731 359 A CB 1.816 20.822 19.000 0.010 0.000 1.299 359 A HN 0.676 nan 8.150 nan 0.000 0.413 360 K N 1.006 121.419 120.400 0.022 0.000 2.182 360 K HA 0.505 4.825 4.320 -0.000 0.000 0.262 360 K C -0.728 175.908 176.600 0.062 0.000 0.957 360 K CA -0.309 56.015 56.287 0.062 0.000 0.842 360 K CB 1.263 33.748 32.500 -0.025 0.000 1.099 360 K HN 0.776 nan 8.250 nan 0.000 0.438 361 Q N 3.333 123.200 119.800 0.112 0.000 2.331 361 Q HA 0.119 4.459 4.340 -0.000 0.000 0.267 361 Q C -1.305 174.783 176.000 0.146 0.000 1.006 361 Q CA -0.835 55.025 55.803 0.094 0.000 0.818 361 Q CB 1.457 30.238 28.738 0.071 0.000 1.276 361 Q HN 0.640 nan 8.270 nan 0.000 0.450 362 D N 4.421 124.888 120.400 0.111 0.000 2.343 362 D HA 0.032 4.672 4.640 -0.000 0.000 0.255 362 D C 0.467 176.846 176.300 0.133 0.000 1.187 362 D CA 0.151 54.233 54.000 0.136 0.000 0.875 362 D CB 1.084 41.929 40.800 0.074 0.000 1.136 362 D HN 0.764 nan 8.370 nan 0.000 0.469 363 L N 3.561 124.878 121.223 0.157 0.000 2.395 363 L HA -0.004 4.336 4.340 -0.000 0.000 0.218 363 L C 2.387 179.331 176.870 0.122 0.000 1.130 363 L CA 0.617 55.545 54.840 0.146 0.000 0.826 363 L CB -0.128 42.041 42.059 0.184 0.000 0.941 363 L HN 0.491 nan 8.230 nan 0.000 0.451 364 A N 0.216 123.101 122.820 0.107 0.000 1.855 364 A HA -0.152 4.168 4.320 -0.000 0.000 0.213 364 A C 2.399 180.022 177.584 0.065 0.000 1.195 364 A CA 2.011 54.096 52.037 0.080 0.000 0.610 364 A CB -0.732 18.311 19.000 0.071 0.000 0.837 364 A HN 0.427 nan 8.150 nan 0.000 0.444 365 T N -4.964 109.628 114.554 0.062 0.000 3.051 365 T HA 0.397 4.747 4.350 -0.000 0.000 0.255 365 T C 1.507 176.240 174.700 0.054 0.000 1.085 365 T CA 1.181 63.310 62.100 0.047 0.000 1.109 365 T CB 0.202 69.092 68.868 0.037 0.000 0.921 365 T HN 1.721 nan 8.240 nan 0.000 0.488 366 G N 1.115 109.957 108.800 0.071 0.000 2.179 366 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.260 366 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.260 366 G C 0.478 175.415 174.900 0.063 0.000 0.977 366 G CA -0.086 45.062 45.100 0.079 0.000 0.641 366 G HN 1.057 nan 8.290 nan 0.000 0.533 367 G N -0.508 108.321 108.800 0.048 0.000 2.380 367 G HA2 0.535 4.495 3.960 -0.000 0.000 0.242 367 G HA3 0.535 4.495 3.960 -0.000 0.000 0.242 367 G C 0.056 174.974 174.900 0.031 0.000 1.298 367 G CA 0.510 45.630 45.100 0.033 0.000 0.878 367 G HN 1.023 nan 8.290 nan 0.000 0.542 368 V N 2.660 122.589 119.914 0.024 0.000 2.483 368 V HA 0.474 4.594 4.120 -0.000 0.000 0.295 368 V C 0.096 176.192 176.094 0.004 0.000 1.035 368 V CA -0.649 61.662 62.300 0.019 0.000 0.896 368 V CB 1.609 33.446 31.823 0.024 0.000 0.986 368 V HN 0.845 nan 8.190 nan 0.000 0.447 369 Q N 2.929 122.725 119.800 -0.007 0.000 2.321 369 Q HA 0.557 4.897 4.340 -0.000 0.000 0.270 369 Q C -1.505 174.486 176.000 -0.015 0.000 1.032 369 Q CA -0.574 55.219 55.803 -0.017 0.000 0.784 369 Q CB 2.312 31.028 28.738 -0.037 0.000 1.264 369 Q HN 0.588 nan 8.270 nan 0.000 0.448 370 V N 6.151 126.057 119.914 -0.013 0.000 2.572 370 V HA 0.019 4.139 4.120 -0.000 0.000 0.291 370 V C 1.037 177.107 176.094 -0.040 0.000 1.039 370 V CA 0.468 62.757 62.300 -0.018 0.000 1.055 370 V CB 0.810 32.625 31.823 -0.014 0.000 0.969 370 V HN 0.892 nan 8.190 nan 0.000 0.482 371 L N 3.384 124.578 121.223 -0.049 0.000 2.388 371 L HA 0.175 4.514 4.340 -0.000 0.000 0.209 371 L C 1.093 177.926 176.870 -0.061 0.000 1.061 371 L CA 0.499 55.311 54.840 -0.047 0.000 0.834 371 L CB 0.320 42.358 42.059 -0.035 0.000 1.029 371 L HN 0.796 nan 8.230 nan 0.000 0.473 372 S N -1.545 114.088 115.700 -0.111 0.000 2.638 372 S HA 0.463 4.933 4.470 -0.000 0.000 0.302 372 S C 0.204 174.642 174.600 -0.269 0.000 1.096 372 S CA -0.095 58.044 58.200 -0.101 0.000 0.953 372 S CB 1.947 65.074 63.200 -0.122 0.000 1.107 372 S HN 0.116 nan 8.310 nan 0.000 0.503 373 S N -0.722 114.856 115.700 -0.203 0.000 2.937 373 S HA 0.259 4.729 4.470 -0.000 0.000 0.252 373 S C 0.599 175.201 174.600 0.004 0.000 1.022 373 S CA -0.107 57.871 58.200 -0.370 0.000 1.079 373 S CB -0.827 62.243 63.200 -0.218 0.000 1.035 373 S HN 1.024 nan 8.310 nan 0.000 0.594 374 T N 0.234 114.892 114.554 0.174 0.000 2.698 374 T HA 0.518 4.868 4.350 -0.000 0.000 0.295 374 T C -0.382 174.568 174.700 0.416 0.000 1.007 374 T CA -0.454 61.818 62.100 0.287 0.000 0.980 374 T CB 0.136 69.186 68.868 0.304 0.000 1.036 374 T HN 0.241 nan 8.240 nan 0.000 0.526 375 F N 1.810 121.859 119.950 0.164 0.000 2.410 375 F HA 0.513 5.040 4.527 0.000 0.000 0.349 375 F C 0.052 175.896 175.800 0.074 0.000 1.117 375 F CA -1.772 56.293 58.000 0.109 0.000 1.104 375 F CB 0.205 39.244 39.000 0.064 0.000 1.122 375 F HN 0.505 nan 8.300 nan 0.000 0.483 376 L N 4.932 125.779 121.223 -0.626 0.000 3.472 376 L HA -0.248 4.092 4.340 -0.000 0.000 0.485 376 L C -0.898 175.828 176.870 -0.241 0.000 1.312 376 L CA 0.203 54.653 54.840 -0.649 0.000 0.869 376 L CB -2.098 39.412 42.059 -0.916 0.000 1.687 376 L HN 0.597 nan 8.230 nan 0.000 0.853 377 D N 2.053 122.394 120.400 -0.099 0.000 2.424 377 D HA 0.498 5.138 4.640 -0.000 0.000 0.244 377 D C 0.853 177.154 176.300 0.003 0.000 1.134 377 D CA 0.527 54.565 54.000 0.064 0.000 0.881 377 D CB 0.748 41.564 40.800 0.026 0.000 1.191 377 D HN 0.672 nan 8.370 nan 0.000 0.445 378 E N -1.849 118.408 120.200 0.094 0.000 2.447 378 E HA 0.386 4.736 4.350 -0.000 0.000 0.279 378 E C -0.906 175.753 176.600 0.099 0.000 1.053 378 E CA -1.149 55.272 56.400 0.034 0.000 0.840 378 E CB 0.798 30.473 29.700 -0.042 0.000 1.409 378 E HN 0.207 nan 8.360 nan 0.000 0.461 379 T N -1.445 113.157 114.554 0.081 0.000 3.433 379 T HA -0.122 4.228 4.350 -0.000 0.000 0.412 379 T C -2.219 172.602 174.700 0.202 0.000 0.768 379 T CA 0.438 62.620 62.100 0.136 0.000 2.077 379 T CB -1.971 66.965 68.868 0.113 0.000 1.700 379 T HN 0.461 nan 8.240 nan 0.000 0.666 380 P HA 0.556 nan 4.420 nan 0.000 0.279 380 P C -0.397 177.043 177.300 0.233 0.000 1.239 380 P CA -0.273 62.967 63.100 0.232 0.000 0.789 380 P CB 1.801 33.582 31.700 0.134 0.000 0.933 381 S N 2.902 118.779 115.700 0.295 0.000 2.614 381 S HA 0.461 4.931 4.470 -0.000 0.000 0.288 381 S C -0.679 174.113 174.600 0.319 0.000 1.137 381 S CA -0.763 57.617 58.200 0.300 0.000 0.992 381 S CB 0.304 63.723 63.200 0.365 0.000 1.026 381 S HN 0.248 nan 8.310 nan 0.000 0.486 382 L N 4.104 125.420 121.223 0.155 0.000 2.349 382 L HA 0.539 4.879 4.340 -0.000 0.000 0.275 382 L C 1.049 177.755 176.870 -0.273 0.000 1.115 382 L CA -0.541 54.290 54.840 -0.016 0.000 0.820 382 L CB 0.936 42.942 42.059 -0.089 0.000 1.135 382 L HN 0.856 nan 8.230 nan 0.000 0.445 383 A N 5.930 128.251 122.820 -0.832 0.000 2.492 383 A HA 0.204 4.523 4.320 -0.000 0.000 0.236 383 A C -1.437 175.627 177.584 -0.866 0.000 1.078 383 A CA -0.806 50.251 52.037 -1.634 0.000 0.773 383 A CB -0.304 17.451 19.000 -2.074 0.000 1.023 383 A HN 0.666 nan 8.150 nan 0.000 0.504 384 P HA -0.103 nan 4.420 nan 0.000 0.230 384 P C 0.508 177.412 177.300 -0.660 0.000 1.158 384 P CA 1.318 63.906 63.100 -0.854 0.000 0.769 384 P CB -0.292 30.559 31.700 -1.415 0.000 0.807 385 N N -1.311 117.104 118.700 -0.475 0.000 2.270 385 N HA 0.107 4.847 4.740 -0.000 0.000 0.198 385 N C 1.117 176.573 175.510 -0.091 0.000 1.117 385 N CA 0.367 53.336 53.050 -0.135 0.000 0.845 385 N CB -0.341 38.127 38.487 -0.033 0.000 0.980 385 N HN -0.035 nan 8.380 nan 0.000 0.486 386 G N 1.211 109.919 108.800 -0.152 0.000 2.166 386 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.260 386 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.260 386 G C 0.836 175.802 174.900 0.111 0.000 0.986 386 G CA 1.102 46.238 45.100 0.059 0.000 0.683 386 G HN 0.603 nan 8.290 nan 0.000 0.527 387 T N -3.877 110.638 114.554 -0.066 0.000 3.022 387 T HA 0.636 4.986 4.350 -0.000 0.000 0.250 387 T C 0.539 175.208 174.700 -0.051 0.000 1.060 387 T CA 1.213 63.291 62.100 -0.037 0.000 1.013 387 T CB 0.416 69.268 68.868 -0.027 0.000 0.982 387 T HN 0.870 nan 8.240 nan 0.000 0.508 388 M N 1.409 120.936 119.600 -0.122 0.000 2.470 388 M HA 0.635 5.115 4.480 -0.000 0.000 0.285 388 M C -2.412 173.911 176.300 0.038 0.000 1.213 388 M CA -0.849 54.432 55.300 -0.032 0.000 0.901 388 M CB 2.473 35.014 32.600 -0.098 0.000 1.718 388 M HN -0.107 nan 8.290 nan 0.000 0.469 389 V N 4.793 124.875 119.914 0.280 0.000 2.487 389 V HA 0.575 4.695 4.120 -0.000 0.000 0.298 389 V C -0.644 175.795 176.094 0.575 0.000 1.028 389 V CA -0.743 61.787 62.300 0.384 0.000 0.860 389 V CB 1.594 33.599 31.823 0.303 0.000 0.991 389 V HN 0.914 nan 8.190 nan 0.000 0.427 390 I N 6.173 127.136 120.570 0.654 0.000 2.428 390 I HA 0.710 4.879 4.170 -0.000 0.000 0.296 390 I C -0.695 175.658 176.117 0.392 0.000 0.985 390 I CA -0.133 61.415 61.300 0.413 0.000 1.260 390 I CB 1.053 39.163 38.000 0.183 0.000 1.389 390 I HN 0.822 nan 8.210 nan 0.000 0.484 391 Y N 3.446 123.828 120.300 0.138 0.000 2.744 391 Y HA 0.658 5.208 4.550 -0.000 0.000 0.330 391 Y C -1.336 174.590 175.900 0.043 0.000 1.263 391 Y CA -1.182 56.977 58.100 0.098 0.000 1.065 391 Y CB 0.911 39.429 38.460 0.096 0.000 1.306 391 Y HN 0.366 nan 8.280 nan 0.000 0.459 392 S N 0.660 116.396 115.700 0.061 0.000 2.536 392 S HA 0.869 5.339 4.470 -0.000 0.000 0.298 392 S C -0.945 173.672 174.600 0.028 0.000 1.083 392 S CA 0.048 58.199 58.200 -0.081 0.000 0.995 392 S CB 1.036 64.184 63.200 -0.086 0.000 1.058 392 S HN 1.202 nan 8.310 nan 0.000 0.488 393 S N 2.102 117.780 115.700 -0.037 0.000 2.806 393 S HA 0.763 5.233 4.470 -0.000 0.000 0.306 393 S C -1.044 173.557 174.600 0.002 0.000 1.167 393 S CA -0.770 57.451 58.200 0.035 0.000 0.847 393 S CB 1.336 64.619 63.200 0.137 0.000 1.216 393 S HN 0.522 nan 8.310 nan 0.000 0.532 394 S N 0.678 116.406 115.700 0.047 0.000 2.475 394 S HA 0.566 5.035 4.470 -0.000 0.000 0.298 394 S C -1.031 173.686 174.600 0.195 0.000 1.119 394 S CA -0.679 57.588 58.200 0.111 0.000 1.085 394 S CB 1.039 64.323 63.200 0.139 0.000 1.028 394 S HN 0.602 nan 8.310 nan 0.000 0.489 395 Q N 1.257 121.121 119.800 0.106 0.000 2.321 395 Q HA 0.542 4.881 4.340 -0.000 0.000 0.270 395 Q C 0.721 176.751 176.000 0.050 0.000 1.032 395 Q CA -0.394 55.455 55.803 0.075 0.000 0.784 395 Q CB 1.966 30.720 28.738 0.028 0.000 1.264 395 Q HN 0.982 nan 8.270 nan 0.000 0.448 396 G N 2.636 111.456 108.800 0.033 0.000 2.614 396 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.303 396 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.303 396 G C 0.558 175.482 174.900 0.040 0.000 1.270 396 G CA 0.413 45.522 45.100 0.015 0.000 0.988 396 G HN 0.601 nan 8.290 nan 0.000 0.551 397 M N 2.427 122.042 119.600 0.025 0.000 2.568 397 M HA 0.309 4.789 4.480 -0.000 0.000 0.226 397 M C 1.094 177.410 176.300 0.028 0.000 1.148 397 M CA 1.044 56.362 55.300 0.030 0.000 1.007 397 M CB -0.678 31.931 32.600 0.014 0.000 1.651 397 M HN 0.919 nan 8.290 nan 0.000 0.488 398 G N -0.448 108.368 108.800 0.026 0.000 2.672 398 G HA2 0.521 4.481 3.960 -0.000 0.000 0.292 398 G HA3 0.521 4.481 3.960 -0.000 0.000 0.292 398 G C -1.090 173.814 174.900 0.007 0.000 1.375 398 G CA -0.400 44.707 45.100 0.011 0.000 0.890 398 G HN 0.104 nan 8.290 nan 0.000 0.476 399 S N -1.000 114.694 115.700 -0.010 0.000 2.580 399 S HA 0.588 5.058 4.470 -0.000 0.000 0.274 399 S C 0.495 175.067 174.600 -0.047 0.000 1.329 399 S CA -0.188 57.992 58.200 -0.033 0.000 1.036 399 S CB 1.261 64.428 63.200 -0.054 0.000 0.919 399 S HN 1.404 nan 8.310 nan 0.000 0.515 400 V N 0.892 120.765 119.914 -0.068 0.000 3.182 400 V HA 0.688 4.808 4.120 -0.000 0.000 0.308 400 V C -1.181 174.820 176.094 -0.154 0.000 1.240 400 V CA -1.179 61.060 62.300 -0.103 0.000 1.063 400 V CB 1.318 33.087 31.823 -0.091 0.000 1.076 400 V HN 0.710 nan 8.190 nan 0.000 0.446 401 L N 1.868 122.973 121.223 -0.196 0.000 2.334 401 L HA 0.662 5.002 4.340 -0.000 0.000 0.275 401 L C -0.190 176.499 176.870 -0.301 0.000 1.036 401 L CA -0.501 54.189 54.840 -0.251 0.000 0.807 401 L CB 1.569 43.481 42.059 -0.246 0.000 1.231 401 L HN 0.765 nan 8.230 nan 0.000 0.438 402 N N 2.590 121.005 118.700 -0.475 0.000 2.262 402 N HA 0.658 5.398 4.740 -0.000 0.000 0.295 402 N C -1.431 173.902 175.510 -0.295 0.000 1.161 402 N CA -0.602 52.143 53.050 -0.509 0.000 0.767 402 N CB 3.028 40.876 38.487 -1.066 0.000 1.499 402 N HN 0.324 nan 8.380 nan 0.000 0.476 403 L N 1.130 122.353 121.223 -0.001 0.000 2.365 403 L HA 0.648 4.988 4.340 -0.000 0.000 0.273 403 L C -0.644 176.433 176.870 0.346 0.000 1.000 403 L CA -0.883 54.115 54.840 0.263 0.000 0.819 403 L CB 2.235 44.505 42.059 0.351 0.000 1.284 403 L HN 0.159 nan 8.230 nan 0.000 0.418 404 V N 2.123 122.299 119.914 0.436 0.000 2.760 404 V HA 0.525 4.645 4.120 -0.000 0.000 0.309 404 V C -0.050 176.239 176.094 0.325 0.000 1.077 404 V CA -0.383 62.129 62.300 0.354 0.000 0.910 404 V CB 2.584 34.581 31.823 0.290 0.000 1.008 404 V HN 0.894 nan 8.190 nan 0.000 0.424 405 S N 3.314 119.213 115.700 0.331 0.000 2.593 405 S HA 0.139 4.609 4.470 -0.000 0.000 0.269 405 S C 1.222 175.887 174.600 0.108 0.000 1.334 405 S CA 0.326 58.654 58.200 0.215 0.000 1.015 405 S CB 1.181 64.512 63.200 0.218 0.000 0.912 405 S HN 1.275 nan 8.310 nan 0.000 0.541 406 T N -2.300 112.274 114.554 0.032 0.000 3.118 406 T HA -0.016 4.334 4.350 -0.000 0.000 0.260 406 T C 0.761 175.397 174.700 -0.108 0.000 1.139 406 T CA 0.788 62.852 62.100 -0.060 0.000 1.085 406 T CB -0.597 68.174 68.868 -0.163 0.000 0.934 406 T HN 0.805 nan 8.240 nan 0.000 0.518 407 D N 0.407 120.779 120.400 -0.047 0.000 2.349 407 D HA 0.253 4.893 4.640 -0.000 0.000 0.214 407 D C 1.666 177.964 176.300 -0.003 0.000 1.063 407 D CA 0.359 54.332 54.000 -0.046 0.000 0.847 407 D CB -0.577 40.200 40.800 -0.039 0.000 0.933 407 D HN 0.460 nan 8.370 nan 0.000 0.513 408 G N 0.715 109.534 108.800 0.031 0.000 2.205 408 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.261 408 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.261 408 G C 1.427 176.362 174.900 0.059 0.000 0.980 408 G CA 0.242 45.363 45.100 0.036 0.000 0.632 408 G HN 0.286 nan 8.290 nan 0.000 0.533 409 R N -0.734 119.818 120.500 0.087 0.000 2.161 409 R HA 0.290 4.630 4.340 -0.000 0.000 0.213 409 R C 0.613 177.011 176.300 0.164 0.000 1.055 409 R CA 0.362 56.523 56.100 0.103 0.000 0.996 409 R CB -0.336 30.023 30.300 0.099 0.000 0.901 409 R HN 0.533 nan 8.270 nan 0.000 0.456 410 F N 1.040 121.023 119.950 0.055 0.000 2.467 410 F HA 0.396 4.923 4.527 0.000 0.000 0.336 410 F C -0.849 175.008 175.800 0.095 0.000 1.123 410 F CA -0.799 57.248 58.000 0.079 0.000 0.964 410 F CB 1.124 40.183 39.000 0.098 0.000 1.136 410 F HN -0.329 nan 8.300 nan 0.000 0.447 411 K N 5.482 125.550 120.400 -0.555 0.000 2.443 411 K HA 0.858 5.178 4.320 -0.000 0.000 0.252 411 K C -1.407 174.864 176.600 -0.548 0.000 0.933 411 K CA -0.981 55.087 56.287 -0.364 0.000 0.792 411 K CB 2.146 34.566 32.500 -0.134 0.000 1.185 411 K HN 0.688 nan 8.250 nan 0.000 0.425 412 A N 2.710 125.353 122.820 -0.295 0.000 2.593 412 A HA 0.782 5.102 4.320 -0.000 0.000 0.290 412 A C -1.227 176.317 177.584 -0.067 0.000 1.126 412 A CA -0.856 51.072 52.037 -0.181 0.000 0.695 412 A CB 1.549 20.515 19.000 -0.057 0.000 1.290 412 A HN 0.713 nan 8.150 nan 0.000 0.414 413 R N -0.958 119.507 120.500 -0.059 0.000 2.888 413 R HA 0.713 5.053 4.340 -0.000 0.000 0.264 413 R C -1.533 174.719 176.300 -0.079 0.000 1.045 413 R CA -0.756 55.295 56.100 -0.081 0.000 0.962 413 R CB 1.747 31.995 30.300 -0.088 0.000 1.210 413 R HN 0.485 nan 8.270 nan 0.000 0.479 414 L N 2.786 123.932 121.223 -0.128 0.000 2.581 414 L HA 0.357 4.697 4.340 -0.000 0.000 0.241 414 L C -2.223 174.541 176.870 -0.177 0.000 1.265 414 L CA -1.690 53.054 54.840 -0.159 0.000 0.954 414 L CB 1.293 43.221 42.059 -0.219 0.000 1.269 414 L HN 0.248 nan 8.230 nan 0.000 0.475 415 P HA 0.201 nan 4.420 nan 0.000 0.269 415 P C -0.523 176.693 177.300 -0.140 0.000 1.209 415 P CA -0.009 63.017 63.100 -0.123 0.000 0.776 415 P CB 1.532 33.177 31.700 -0.091 0.000 0.876 416 A N 1.817 124.559 122.820 -0.130 0.000 2.346 416 A HA 0.645 4.965 4.320 -0.000 0.000 0.313 416 A C 1.022 178.553 177.584 -0.087 0.000 1.140 416 A CA -0.094 51.868 52.037 -0.126 0.000 0.826 416 A CB 0.712 19.628 19.000 -0.140 0.000 1.332 416 A HN 0.534 nan 8.150 nan 0.000 0.457 417 T N -3.157 111.352 114.554 -0.075 0.000 3.000 417 T HA 0.098 4.448 4.350 -0.000 0.000 0.248 417 T C 0.274 174.946 174.700 -0.045 0.000 1.034 417 T CA 1.068 63.134 62.100 -0.057 0.000 1.060 417 T CB -0.073 68.762 68.868 -0.055 0.000 0.983 417 T HN 0.410 nan 8.240 nan 0.000 0.482 418 D N 1.608 121.984 120.400 -0.040 0.000 2.349 418 D HA 0.436 5.076 4.640 -0.000 0.000 0.215 418 D C 1.162 177.444 176.300 -0.030 0.000 1.016 418 D CA 0.891 54.873 54.000 -0.029 0.000 0.870 418 D CB 0.510 41.301 40.800 -0.015 0.000 0.917 418 D HN 0.714 nan 8.370 nan 0.000 0.524 419 G N -0.349 108.431 108.800 -0.034 0.000 2.362 419 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.288 419 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.288 419 G C -1.262 173.621 174.900 -0.029 0.000 1.305 419 G CA -1.026 44.054 45.100 -0.032 0.000 0.910 419 G HN 0.004 nan 8.290 nan 0.000 0.518 420 Q N -1.296 118.491 119.800 -0.021 0.000 2.454 420 Q HA 0.501 4.841 4.340 -0.000 0.000 0.247 420 Q C -0.322 175.679 176.000 0.001 0.000 1.028 420 Q CA -0.151 55.643 55.803 -0.014 0.000 0.910 420 Q CB 2.157 30.895 28.738 0.000 0.000 1.276 420 Q HN 1.027 nan 8.270 nan 0.000 0.489 421 V N 1.661 121.565 119.914 -0.017 0.000 2.733 421 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 421 V C -1.280 174.807 176.094 -0.013 0.000 1.084 421 V CA -0.308 61.989 62.300 -0.005 0.000 0.905 421 V CB 1.557 33.319 31.823 -0.103 0.000 1.010 421 V HN 0.903 nan 8.190 nan 0.000 0.424 422 K N 4.176 124.614 120.400 0.063 0.000 2.308 422 K HA 0.610 4.930 4.320 -0.000 0.000 0.268 422 K C -0.523 176.169 176.600 0.153 0.000 0.992 422 K CA -0.839 55.445 56.287 -0.005 0.000 0.836 422 K CB 0.651 33.064 32.500 -0.145 0.000 1.507 422 K HN 0.458 nan 8.250 nan 0.000 0.394 423 F N 0.933 120.950 119.950 0.111 0.000 2.943 423 F HA -0.134 4.393 4.527 0.000 0.000 0.258 423 F C -2.063 173.829 175.800 0.152 0.000 0.995 423 F CA 0.381 58.458 58.000 0.127 0.000 0.896 423 F CB -1.752 37.316 39.000 0.115 0.000 0.821 423 F HN 0.363 nan 8.300 nan 0.000 0.828 424 P HA 0.502 nan 4.420 nan 0.000 0.275 424 P C -0.562 176.922 177.300 0.307 0.000 1.228 424 P CA 0.001 63.264 63.100 0.272 0.000 0.786 424 P CB 1.837 33.636 31.700 0.164 0.000 0.927 425 A N 3.050 126.077 122.820 0.346 0.000 2.408 425 A HA 0.435 4.755 4.320 -0.000 0.000 0.295 425 A C -1.378 176.540 177.584 0.556 0.000 1.040 425 A CA -0.621 51.687 52.037 0.451 0.000 0.707 425 A CB 0.999 20.266 19.000 0.445 0.000 1.235 425 A HN 0.503 nan 8.150 nan 0.000 0.418 426 W N 3.440 124.904 121.300 0.273 0.000 2.315 426 W HA 0.453 5.113 4.660 -0.000 0.000 0.316 426 W C 0.717 177.078 176.519 -0.264 0.000 1.211 426 W CA 0.016 57.394 57.345 0.054 0.000 1.201 426 W CB 1.877 31.337 29.460 -0.001 0.000 1.184 426 W HN 0.904 nan 8.180 nan 0.000 0.544 427 S N 6.659 122.114 115.700 -0.408 0.000 2.624 427 S HA 0.447 4.917 4.470 -0.000 0.000 0.263 427 S C -2.109 172.223 174.600 -0.446 0.000 1.287 427 S CA -1.061 56.389 58.200 -1.251 0.000 0.990 427 S CB 1.331 63.497 63.200 -1.723 0.000 0.950 427 S HN 0.334 nan 8.310 nan 0.000 0.561 428 P HA 0.131 nan 4.420 nan 0.000 0.274 428 P C -0.554 176.599 177.300 -0.244 0.000 1.260 428 P CA -0.403 62.531 63.100 -0.277 0.000 0.793 428 P CB 0.017 31.642 31.700 -0.125 0.000 1.048 429 Y N -0.633 119.589 120.300 -0.131 0.000 2.904 429 Y HA 0.015 4.565 4.550 -0.000 0.000 0.336 429 Y C 1.176 177.030 175.900 -0.076 0.000 1.263 429 Y CA 1.133 59.165 58.100 -0.114 0.000 1.547 429 Y CB -0.586 37.816 38.460 -0.096 0.000 1.272 429 Y HN 0.112 nan 8.280 nan 0.000 0.596 430 L N 0.000 121.305 121.223 0.137 0.000 2.949 430 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 430 L CA 0.000 54.911 54.840 0.119 0.000 0.813 430 L CB 0.000 42.135 42.059 0.127 0.000 0.961 430 L HN 0.000 nan 8.230 nan 0.000 0.502