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_D 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 0.000 176.523 176.600 -0.128 0.000 1.382 22 E CA 0.000 56.369 56.400 -0.052 0.000 0.976 22 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 23 V N 1.556 121.367 119.914 -0.172 0.000 3.046 23 V HA 0.904 5.025 4.120 0.002 0.000 0.316 23 V C -0.732 175.209 176.094 -0.256 0.000 1.104 23 V CA -0.745 61.417 62.300 -0.230 0.000 1.006 23 V CB 2.271 33.899 31.823 -0.325 0.000 1.058 23 V HN 0.540 nan 8.190 nan 0.000 0.440 24 R N 1.877 122.242 120.500 -0.224 0.000 2.707 24 R HA 0.590 4.931 4.340 0.002 0.000 0.272 24 R C -1.292 174.926 176.300 -0.138 0.000 1.011 24 R CA -0.688 55.283 56.100 -0.214 0.000 0.893 24 R CB 2.130 32.314 30.300 -0.193 0.000 1.233 24 R HN 0.891 nan 8.270 nan 0.000 0.464 25 I N 1.801 122.316 120.570 -0.090 0.000 2.416 25 I HA 0.183 4.354 4.170 0.002 0.000 0.288 25 I C 0.025 176.144 176.117 0.003 0.000 1.051 25 I CA -0.432 60.856 61.300 -0.020 0.000 1.375 25 I CB 1.098 39.131 38.000 0.055 0.000 1.407 25 I HN 0.031 nan 8.210 nan 0.000 0.516 26 V N 7.886 127.797 119.914 -0.005 0.000 2.448 26 V HA 0.416 4.537 4.120 0.002 0.000 0.295 26 V C 0.098 176.187 176.094 -0.009 0.000 1.025 26 V CA -0.562 61.736 62.300 -0.004 0.000 0.859 26 V CB 1.758 33.563 31.823 -0.029 0.000 0.988 26 V HN 0.463 nan 8.190 nan 0.000 0.431 27 I N 3.646 124.216 120.570 0.000 0.000 2.396 27 I HA 0.336 4.507 4.170 0.002 0.000 0.292 27 I C 0.632 176.680 176.117 -0.116 0.000 0.999 27 I CA -0.083 61.171 61.300 -0.076 0.000 1.310 27 I CB 1.419 39.418 38.000 -0.003 0.000 1.404 27 I HN 0.614 nan 8.210 nan 0.000 0.496 28 D N 2.399 122.680 120.400 -0.197 0.000 2.463 28 D HA 0.093 4.734 4.640 0.002 0.000 0.237 28 D C 0.163 176.383 176.300 -0.133 0.000 1.013 28 D CA 0.762 54.683 54.000 -0.133 0.000 0.910 28 D CB 0.662 41.395 40.800 -0.113 0.000 1.080 28 D HN 0.618 nan 8.370 nan 0.000 0.498 29 S N -2.808 112.761 115.700 -0.217 0.000 2.595 29 S HA 0.503 4.974 4.470 0.002 0.000 0.270 29 S C 0.583 175.082 174.600 -0.168 0.000 1.145 29 S CA -0.098 58.019 58.200 -0.138 0.000 0.825 29 S CB 1.893 65.044 63.200 -0.081 0.000 1.107 29 S HN 0.231 nan 8.310 nan 0.000 0.461 30 G N -0.372 108.414 108.800 -0.023 0.000 2.201 30 G HA2 -0.251 3.710 3.960 0.002 0.000 0.212 30 G HA3 -0.251 3.710 3.960 0.002 0.000 0.212 30 G C 0.718 175.726 174.900 0.180 0.000 0.994 30 G CA 0.204 45.353 45.100 0.082 0.000 0.644 30 G HN 1.383 nan 8.290 nan 0.000 0.508 31 V N 1.022 121.041 119.914 0.174 0.000 2.469 31 V HA -0.121 4.000 4.120 0.002 0.000 0.251 31 V C 2.380 178.566 176.094 0.152 0.000 1.064 31 V CA 2.768 65.202 62.300 0.223 0.000 1.066 31 V CB -0.365 31.578 31.823 0.200 0.000 0.667 31 V HN 0.493 nan 8.190 nan 0.000 0.461 32 D N -0.071 120.392 120.400 0.106 0.000 2.263 32 D HA -0.128 4.513 4.640 0.002 0.000 0.208 32 D C 2.189 178.529 176.300 0.067 0.000 0.971 32 D CA 1.215 55.262 54.000 0.079 0.000 0.867 32 D CB -0.035 40.799 40.800 0.057 0.000 0.929 32 D HN 0.378 nan 8.370 nan 0.000 0.492 33 S N -0.693 115.051 115.700 0.073 0.000 2.555 33 S HA 0.131 4.602 4.470 0.002 0.000 0.230 33 S C 1.016 175.631 174.600 0.026 0.000 0.978 33 S CA 0.391 58.620 58.200 0.048 0.000 0.934 33 S CB 0.123 63.357 63.200 0.056 0.000 0.766 33 S HN 0.357 nan 8.310 nan 0.000 0.533 34 G N 0.929 109.757 108.800 0.046 0.000 2.528 34 G HA2 0.424 4.385 3.960 0.002 0.000 0.289 34 G HA3 0.424 4.385 3.960 0.002 0.000 0.289 34 G C -0.373 174.505 174.900 -0.037 0.000 1.192 34 G CA -0.825 44.264 45.100 -0.018 0.000 0.921 34 G HN 0.314 nan 8.290 nan 0.000 0.512 35 R N 1.120 121.522 120.500 -0.164 0.000 2.370 35 R HA 0.185 4.526 4.340 0.002 0.000 0.309 35 R C -2.300 174.073 176.300 0.122 0.000 1.059 35 R CA -0.993 55.060 56.100 -0.078 0.000 0.981 35 R CB 0.290 30.443 30.300 -0.245 0.000 0.972 35 R HN 0.152 nan 8.270 nan 0.000 0.437 36 P HA 0.019 nan 4.420 nan 0.000 0.265 36 P C -0.760 176.668 177.300 0.212 0.000 1.193 36 P CA 0.337 63.538 63.100 0.168 0.000 0.765 36 P CB 0.571 32.351 31.700 0.134 0.000 0.823 37 I N 1.422 122.123 120.570 0.218 0.000 2.913 37 I HA 0.644 4.815 4.170 0.002 0.000 0.302 37 I C -0.682 175.507 176.117 0.120 0.000 1.246 37 I CA -0.881 60.518 61.300 0.165 0.000 1.010 37 I CB 2.211 40.313 38.000 0.169 0.000 1.259 37 I HN 0.393 nan 8.210 nan 0.000 0.434 38 G N 5.115 113.913 108.800 -0.003 0.000 2.368 38 G HA2 0.604 4.565 3.960 0.002 0.000 0.320 38 G HA3 0.604 4.565 3.960 0.002 0.000 0.320 38 G C -1.524 173.288 174.900 -0.147 0.000 1.158 38 G CA -0.344 44.722 45.100 -0.055 0.000 0.912 38 G HN 0.387 nan 8.290 nan 0.000 0.456 39 V N 3.089 123.007 119.914 0.007 0.000 2.443 39 V HA 0.363 4.484 4.120 0.002 0.000 0.293 39 V C -0.164 175.997 176.094 0.111 0.000 1.021 39 V CA -0.725 61.588 62.300 0.022 0.000 0.848 39 V CB 1.510 33.342 31.823 0.016 0.000 0.998 39 V HN 0.567 nan 8.190 nan 0.000 0.424 40 V N 6.793 126.790 119.914 0.139 0.000 2.472 40 V HA 0.442 4.563 4.120 0.002 0.000 0.290 40 V C -2.159 174.096 176.094 0.268 0.000 1.037 40 V CA -2.216 60.205 62.300 0.202 0.000 0.908 40 V CB 1.912 33.840 31.823 0.175 0.000 0.985 40 V HN 0.709 nan 8.190 nan 0.000 0.454 41 P HA 0.049 nan 4.420 nan 0.000 0.265 41 P C -0.644 176.881 177.300 0.375 0.000 1.187 41 P CA 0.025 63.257 63.100 0.221 0.000 0.766 41 P CB 0.145 31.929 31.700 0.141 0.000 0.820 42 F N 0.920 120.905 119.950 0.057 0.000 2.418 42 F HA 0.207 4.735 4.527 0.001 0.000 0.341 42 F C 1.391 177.262 175.800 0.118 0.000 1.120 42 F CA -0.377 57.671 58.000 0.080 0.000 1.232 42 F CB -0.161 38.886 39.000 0.080 0.000 1.175 42 F HN 0.278 nan 8.300 nan 0.000 0.569 43 Q N 2.625 122.567 119.800 0.236 0.000 2.330 43 Q HA 0.020 4.361 4.340 0.002 0.000 0.279 43 Q C -0.885 175.302 176.000 0.313 0.000 1.024 43 Q CA 0.374 56.297 55.803 0.199 0.000 0.900 43 Q CB 0.406 29.199 28.738 0.092 0.000 1.221 43 Q HN 0.645 nan 8.270 nan 0.000 0.396 44 W N 4.146 125.497 121.300 0.085 0.000 2.475 44 W HA 0.587 5.248 4.660 0.002 0.000 0.320 44 W C -0.969 175.593 176.519 0.071 0.000 1.022 44 W CA -1.101 56.294 57.345 0.084 0.000 1.240 44 W CB 1.056 30.558 29.460 0.070 0.000 1.328 44 W HN 0.747 nan 8.180 nan 0.000 0.439 45 A N 4.839 127.346 122.820 -0.522 0.000 2.604 45 A HA 0.473 4.794 4.320 0.002 0.000 0.248 45 A C 0.367 177.358 177.584 -0.989 0.000 1.466 45 A CA 0.573 52.243 52.037 -0.612 0.000 1.222 45 A CB -0.890 17.927 19.000 -0.306 0.000 0.945 45 A HN 0.706 nan 8.150 nan 0.000 0.600 46 G N -0.281 107.582 108.800 -1.562 0.000 2.687 46 G HA2 0.639 4.600 3.960 0.002 0.000 0.291 46 G HA3 0.639 4.600 3.960 0.002 0.000 0.291 46 G C -3.268 171.394 174.900 -0.396 0.000 1.420 46 G CA -1.098 43.431 45.100 -0.952 0.000 0.796 46 G HN 0.075 nan 8.290 nan 0.000 0.485 47 P HA 0.472 nan 4.420 nan 0.000 0.275 47 P C 0.874 178.367 177.300 0.321 0.000 1.228 47 P CA 1.232 64.402 63.100 0.115 0.000 0.786 47 P CB 1.250 33.005 31.700 0.093 0.000 0.927 48 G N 1.753 110.701 108.800 0.247 0.000 2.569 48 G HA2 -0.082 3.879 3.960 0.002 0.000 0.259 48 G HA3 -0.082 3.879 3.960 0.002 0.000 0.259 48 G C -0.034 175.035 174.900 0.282 0.000 1.263 48 G CA -0.110 45.123 45.100 0.222 0.000 0.928 48 G HN 0.790 nan 8.290 nan 0.000 0.572 49 A N 0.034 122.926 122.820 0.120 0.000 2.520 49 A HA 0.681 5.002 4.320 0.002 0.000 0.245 49 A C 1.139 178.498 177.584 -0.375 0.000 1.072 49 A CA 1.389 53.397 52.037 -0.048 0.000 0.761 49 A CB -0.191 18.766 19.000 -0.072 0.000 1.004 49 A HN 2.510 nan 8.150 nan 0.000 0.499 50 A N 4.429 126.877 122.820 -0.620 0.000 2.445 50 A HA 0.499 4.820 4.320 0.002 0.000 0.242 50 A C -0.693 176.426 177.584 -0.776 0.000 1.075 50 A CA -0.711 50.603 52.037 -1.204 0.000 0.777 50 A CB -0.159 18.410 19.000 -0.718 0.000 1.013 50 A HN 0.715 nan 8.150 nan 0.000 0.493 51 P HA 0.039 nan 4.420 nan 0.000 0.222 51 P C 0.214 177.248 177.300 -0.444 0.000 1.153 51 P CA 1.122 63.877 63.100 -0.575 0.000 0.798 51 P CB 0.375 31.652 31.700 -0.706 0.000 0.796 52 E N -0.525 119.398 120.200 -0.461 0.000 2.429 52 E HA 0.345 4.696 4.350 0.002 0.000 0.276 52 E C -1.639 174.763 176.600 -0.330 0.000 0.953 52 E CA -0.892 55.294 56.400 -0.356 0.000 0.787 52 E CB 1.093 30.584 29.700 -0.348 0.000 1.307 52 E HN -0.310 nan 8.360 nan 0.000 0.458 53 D N 3.304 123.530 120.400 -0.290 0.000 2.485 53 D HA 0.199 4.840 4.640 0.002 0.000 0.229 53 D C 0.885 176.976 176.300 -0.348 0.000 1.101 53 D CA -0.270 53.574 54.000 -0.261 0.000 0.906 53 D CB 0.189 40.873 40.800 -0.193 0.000 1.019 53 D HN 0.363 nan 8.370 nan 0.000 0.516 54 I N 2.331 122.625 120.570 -0.461 0.000 2.252 54 I HA -0.091 4.080 4.170 0.002 0.000 0.245 54 I C 2.317 177.912 176.117 -0.871 0.000 1.102 54 I CA 0.902 61.796 61.300 -0.678 0.000 1.385 54 I CB -1.132 36.420 38.000 -0.746 0.000 1.064 54 I HN 0.445 nan 8.210 nan 0.000 0.414 55 G N 1.152 109.364 108.800 -0.979 0.000 2.476 55 G HA2 -0.258 3.703 3.960 0.002 0.000 0.218 55 G HA3 -0.258 3.703 3.960 0.002 0.000 0.218 55 G C 1.744 176.495 174.900 -0.248 0.000 1.164 55 G CA 1.060 45.879 45.100 -0.467 0.000 0.768 55 G HN 0.478 nan 8.290 nan 0.000 0.560 56 G N 0.888 109.559 108.800 -0.216 0.000 2.442 56 G HA2 -0.176 3.785 3.960 0.002 0.000 0.219 56 G HA3 -0.176 3.785 3.960 0.002 0.000 0.219 56 G C 1.781 176.576 174.900 -0.176 0.000 1.141 56 G CA 0.909 45.919 45.100 -0.151 0.000 0.763 56 G HN 0.477 nan 8.290 nan 0.000 0.554 57 I N 0.220 120.634 120.570 -0.261 0.000 2.252 57 I HA -0.116 4.055 4.170 0.002 0.000 0.245 57 I C 2.724 178.704 176.117 -0.228 0.000 1.102 57 I CA 0.339 61.486 61.300 -0.255 0.000 1.385 57 I CB -0.222 37.556 38.000 -0.370 0.000 1.064 57 I HN 0.021 nan 8.210 nan 0.000 0.414 58 V N 1.113 120.867 119.914 -0.267 0.000 2.295 58 V HA -0.279 3.842 4.120 0.002 0.000 0.246 58 V C 2.754 178.716 176.094 -0.220 0.000 1.049 58 V CA 2.001 64.146 62.300 -0.258 0.000 1.024 58 V CB -1.033 30.666 31.823 -0.207 0.000 0.648 58 V HN 0.479 nan 8.190 nan 0.000 0.447 59 A N 0.166 122.902 122.820 -0.140 0.000 1.865 59 A HA -0.160 4.161 4.320 0.002 0.000 0.217 59 A C 2.446 180.003 177.584 -0.045 0.000 1.191 59 A CA 2.326 54.322 52.037 -0.069 0.000 0.623 59 A CB -0.964 18.023 19.000 -0.022 0.000 0.826 59 A HN 0.577 nan 8.150 nan 0.000 0.444 60 A N -0.168 122.625 122.820 -0.046 0.000 1.902 60 A HA -0.201 4.120 4.320 0.002 0.000 0.217 60 A C 1.796 179.386 177.584 0.011 0.000 1.181 60 A CA 1.978 54.024 52.037 0.014 0.000 0.623 60 A CB -0.650 18.364 19.000 0.023 0.000 0.818 60 A HN 0.488 nan 8.150 nan 0.000 0.443 61 D N 0.188 120.502 120.400 -0.143 0.000 2.092 61 D HA -0.135 4.506 4.640 0.002 0.000 0.193 61 D C 1.986 178.071 176.300 -0.358 0.000 0.994 61 D CA 1.253 55.002 54.000 -0.417 0.000 0.828 61 D CB -0.431 39.657 40.800 -1.187 0.000 0.963 61 D HN 0.454 nan 8.370 nan 0.000 0.450 62 L N 0.294 121.349 121.223 -0.281 0.000 2.083 62 L HA -0.125 4.216 4.340 0.002 0.000 0.209 62 L C 2.655 179.681 176.870 0.260 0.000 1.083 62 L CA 0.920 55.784 54.840 0.040 0.000 0.752 62 L CB -0.332 41.625 42.059 -0.170 0.000 0.899 62 L HN -0.014 nan 8.230 nan 0.000 0.433 63 R N 0.371 120.976 120.500 0.174 0.000 2.092 63 R HA -0.132 4.209 4.340 0.002 0.000 0.231 63 R C 1.946 178.386 176.300 0.234 0.000 1.119 63 R CA 1.364 57.605 56.100 0.235 0.000 0.970 63 R CB -0.044 30.381 30.300 0.209 0.000 0.864 63 R HN 0.386 nan 8.270 nan 0.000 0.440 64 N N 0.253 119.088 118.700 0.225 0.000 2.453 64 N HA -0.120 4.621 4.740 0.002 0.000 0.183 64 N C 1.581 177.008 175.510 -0.139 0.000 1.041 64 N CA 1.417 54.606 53.050 0.232 0.000 0.900 64 N CB -0.029 38.723 38.487 0.442 0.000 0.961 64 N HN 0.317 nan 8.380 nan 0.000 0.443 65 S N -0.762 114.954 115.700 0.027 0.000 2.489 65 S HA 0.093 4.564 4.470 0.002 0.000 0.228 65 S C 1.636 176.061 174.600 -0.291 0.000 0.995 65 S CA 0.986 59.169 58.200 -0.028 0.000 0.934 65 S CB -0.103 63.313 63.200 0.361 0.000 0.771 65 S HN 0.403 nan 8.310 nan 0.000 0.522 66 G N 1.544 110.064 108.800 -0.467 0.000 2.234 66 G HA2 -0.264 3.697 3.960 0.002 0.000 0.260 66 G HA3 -0.264 3.697 3.960 0.002 0.000 0.260 66 G C 0.908 175.802 174.900 -0.009 0.000 0.987 66 G CA 0.536 45.463 45.100 -0.287 0.000 0.625 66 G HN 0.516 nan 8.290 nan 0.000 0.532 67 K N -0.720 119.705 120.400 0.043 0.000 2.367 67 K HA 0.396 4.717 4.320 0.002 0.000 0.194 67 K C 0.091 176.380 176.600 -0.519 0.000 1.027 67 K CA 0.373 56.551 56.287 -0.181 0.000 1.075 67 K CB 0.487 32.865 32.500 -0.203 0.000 0.845 67 K HN 0.415 nan 8.250 nan 0.000 0.529 68 F N 0.176 120.195 119.950 0.115 0.000 2.599 68 F HA 0.297 4.826 4.527 0.003 0.000 0.311 68 F C 0.057 175.925 175.800 0.113 0.000 1.076 68 F CA -1.351 56.711 58.000 0.103 0.000 0.937 68 F CB 1.352 40.418 39.000 0.110 0.000 1.282 68 F HN -0.238 nan 8.300 nan 0.000 0.460 69 N N 2.743 121.616 118.700 0.288 0.000 2.776 69 N HA 0.428 5.169 4.740 0.002 0.000 0.245 69 N C -3.158 172.475 175.510 0.204 0.000 1.121 69 N CA -2.375 50.803 53.050 0.213 0.000 0.852 69 N CB 1.049 39.629 38.487 0.155 0.000 1.142 69 N HN 0.046 nan 8.380 nan 0.000 0.514 70 P HA 0.091 nan 4.420 nan 0.000 0.276 70 P C -0.107 177.285 177.300 0.152 0.000 1.230 70 P CA -0.561 62.633 63.100 0.155 0.000 0.776 70 P CB 0.692 32.458 31.700 0.110 0.000 0.888 71 L N 3.374 124.705 121.223 0.179 0.000 2.514 71 L HA 0.040 4.381 4.340 0.002 0.000 0.280 71 L C 0.632 177.585 176.870 0.139 0.000 1.223 71 L CA 0.447 55.391 54.840 0.174 0.000 0.864 71 L CB -0.521 41.684 42.059 0.245 0.000 1.118 71 L HN 0.365 nan 8.230 nan 0.000 0.494 72 D N 3.412 123.874 120.400 0.105 0.000 2.525 72 D HA -0.103 4.538 4.640 0.002 0.000 0.235 72 D C 1.164 177.516 176.300 0.086 0.000 1.137 72 D CA 0.279 54.328 54.000 0.083 0.000 0.868 72 D CB 0.700 41.536 40.800 0.061 0.000 1.180 72 D HN 0.659 nan 8.370 nan 0.000 0.465 73 R N 3.241 123.789 120.500 0.079 0.000 2.105 73 R HA -0.180 4.161 4.340 0.002 0.000 0.239 73 R C 1.828 178.165 176.300 0.063 0.000 1.135 73 R CA 1.667 57.816 56.100 0.082 0.000 0.967 73 R CB -0.213 30.126 30.300 0.065 0.000 0.861 73 R HN 0.498 nan 8.270 nan 0.000 0.442 74 A N 0.708 123.556 122.820 0.046 0.000 2.125 74 A HA -0.105 4.216 4.320 0.002 0.000 0.219 74 A C 1.641 179.237 177.584 0.020 0.000 1.156 74 A CA 1.171 53.227 52.037 0.031 0.000 0.671 74 A CB -0.190 18.826 19.000 0.026 0.000 0.794 74 A HN 0.378 nan 8.150 nan 0.000 0.459 75 R N -0.818 119.696 120.500 0.023 0.000 2.472 75 R HA 0.319 4.660 4.340 0.002 0.000 0.279 75 R C -0.564 175.710 176.300 -0.044 0.000 0.953 75 R CA -0.372 55.724 56.100 -0.006 0.000 1.088 75 R CB 0.111 30.414 30.300 0.005 0.000 1.197 75 R HN 0.363 nan 8.270 nan 0.000 0.536 76 L N 3.796 125.011 121.223 -0.014 0.000 2.540 76 L HA 0.030 4.371 4.340 0.002 0.000 0.276 76 L C -0.881 175.855 176.870 -0.223 0.000 1.212 76 L CA -0.753 54.039 54.840 -0.081 0.000 0.893 76 L CB 0.230 42.348 42.059 0.098 0.000 1.138 76 L HN -0.096 nan 8.230 nan 0.000 0.491 77 P HA -0.091 nan 4.420 nan 0.000 0.229 77 P C -0.326 176.812 177.300 -0.271 0.000 1.160 77 P CA 0.895 63.747 63.100 -0.413 0.000 0.777 77 P CB 0.501 31.822 31.700 -0.633 0.000 0.814 78 Q N -2.149 117.528 119.800 -0.205 0.000 2.633 78 Q HA 0.404 4.745 4.340 0.002 0.000 0.289 78 Q C -1.105 174.981 176.000 0.145 0.000 0.940 78 Q CA -0.869 54.933 55.803 -0.002 0.000 0.785 78 Q CB 0.712 29.474 28.738 0.041 0.000 1.467 78 Q HN -0.200 nan 8.270 nan 0.000 0.401 79 Q N 1.143 121.030 119.800 0.145 0.000 2.851 79 Q HA 0.314 4.655 4.340 0.002 0.000 0.331 79 Q C -2.280 173.814 176.000 0.156 0.000 0.979 79 Q CA -1.734 54.176 55.803 0.178 0.000 0.955 79 Q CB 1.084 29.900 28.738 0.130 0.000 1.298 79 Q HN 0.463 nan 8.270 nan 0.000 0.432 80 P HA -0.024 nan 4.420 nan 0.000 0.266 80 P C 0.478 177.819 177.300 0.069 0.000 1.195 80 P CA 0.320 63.492 63.100 0.119 0.000 0.768 80 P CB 1.049 32.831 31.700 0.137 0.000 0.838 81 G N 0.633 109.455 108.800 0.037 0.000 3.277 81 G HA2 0.280 4.241 3.960 0.002 0.000 0.243 81 G HA3 0.280 4.241 3.960 0.002 0.000 0.243 81 G C 0.138 175.015 174.900 -0.039 0.000 1.107 81 G CA 0.139 45.243 45.100 0.007 0.000 0.771 81 G HN 0.752 nan 8.290 nan 0.000 0.544 82 S N -2.359 113.319 115.700 -0.037 0.000 2.615 82 S HA 0.649 5.120 4.470 0.002 0.000 0.269 82 S C 0.978 175.545 174.600 -0.055 0.000 1.161 82 S CA 0.264 58.428 58.200 -0.061 0.000 0.817 82 S CB 1.232 64.406 63.200 -0.044 0.000 1.131 82 S HN 0.528 nan 8.310 nan 0.000 0.467 83 A N 0.622 123.400 122.820 -0.070 0.000 1.933 83 A HA -0.069 4.252 4.320 0.002 0.000 0.218 83 A C 2.070 179.636 177.584 -0.031 0.000 1.175 83 A CA 1.763 53.763 52.037 -0.061 0.000 0.628 83 A CB -1.112 17.845 19.000 -0.072 0.000 0.814 83 A HN 0.848 nan 8.150 nan 0.000 0.444 84 Q N -0.555 119.230 119.800 -0.025 0.000 2.226 84 Q HA -0.168 4.173 4.340 0.002 0.000 0.204 84 Q C 1.481 177.487 176.000 0.011 0.000 0.975 84 Q CA 1.421 57.219 55.803 -0.008 0.000 0.866 84 Q CB -0.069 28.662 28.738 -0.012 0.000 0.915 84 Q HN 0.789 nan 8.270 nan 0.000 0.440 85 E N -0.321 119.888 120.200 0.016 0.000 2.481 85 E HA 0.005 4.356 4.350 0.002 0.000 0.195 85 E C 0.041 176.687 176.600 0.077 0.000 1.047 85 E CA -0.123 56.301 56.400 0.041 0.000 0.867 85 E CB 0.485 30.210 29.700 0.041 0.000 0.858 85 E HN 0.053 nan 8.360 nan 0.000 0.513 86 V N 2.148 122.104 119.914 0.070 0.000 2.572 86 V HA -0.047 4.074 4.120 0.002 0.000 0.291 86 V C 0.329 176.514 176.094 0.153 0.000 1.039 86 V CA 0.362 62.738 62.300 0.128 0.000 1.055 86 V CB 1.093 32.936 31.823 0.033 0.000 0.969 86 V HN 0.158 nan 8.190 nan 0.000 0.482 87 Q N 6.689 126.637 119.800 0.246 0.000 2.465 87 Q HA 0.264 4.605 4.340 0.002 0.000 0.237 87 Q C -1.802 174.360 176.000 0.269 0.000 1.051 87 Q CA -1.812 54.104 55.803 0.188 0.000 0.874 87 Q CB 1.532 30.348 28.738 0.129 0.000 1.207 87 Q HN 0.506 nan 8.270 nan 0.000 0.508 88 P HA -0.213 nan 4.420 nan 0.000 0.216 88 P C 0.720 178.151 177.300 0.218 0.000 1.153 88 P CA 1.561 64.791 63.100 0.216 0.000 0.858 88 P CB 0.245 32.012 31.700 0.113 0.000 0.789 89 A N -0.183 122.716 122.820 0.132 0.000 2.019 89 A HA -0.096 4.225 4.320 0.002 0.000 0.219 89 A C 2.283 179.903 177.584 0.059 0.000 1.164 89 A CA 1.876 53.964 52.037 0.085 0.000 0.644 89 A CB -1.509 17.520 19.000 0.047 0.000 0.805 89 A HN 0.209 nan 8.150 nan 0.000 0.449 90 A N -1.532 121.308 122.820 0.034 0.000 2.015 90 A HA -0.070 4.251 4.320 0.002 0.000 0.219 90 A C 1.838 179.286 177.584 -0.227 0.000 1.163 90 A CA 1.347 53.291 52.037 -0.154 0.000 0.646 90 A CB -0.637 18.187 19.000 -0.293 0.000 0.806 90 A HN 0.763 nan 8.150 nan 0.000 0.448 91 W N -0.034 121.281 121.300 0.025 0.000 2.640 91 W HA 0.049 4.709 4.660 0.001 0.000 0.271 91 W C 2.678 179.216 176.519 0.031 0.000 1.218 91 W CA 0.814 58.178 57.345 0.031 0.000 1.382 91 W CB -0.552 28.929 29.460 0.035 0.000 1.067 91 W HN 0.344 nan 8.180 nan 0.000 0.590 92 S N 0.619 116.461 115.700 0.237 0.000 2.442 92 S HA -0.088 4.383 4.470 0.002 0.000 0.236 92 S C 1.852 176.508 174.600 0.094 0.000 1.007 92 S CA 1.086 59.373 58.200 0.145 0.000 0.965 92 S CB -0.755 62.511 63.200 0.110 0.000 0.773 92 S HN 0.132 nan 8.310 nan 0.000 0.504 93 A N 1.002 123.862 122.820 0.067 0.000 2.168 93 A HA 0.371 4.692 4.320 0.002 0.000 0.215 93 A C 1.859 179.458 177.584 0.025 0.000 1.152 93 A CA 0.618 52.672 52.037 0.028 0.000 0.716 93 A CB -0.453 18.544 19.000 -0.006 0.000 0.794 93 A HN 0.585 nan 8.150 nan 0.000 0.465 94 L N -1.593 119.659 121.223 0.047 0.000 2.857 94 L HA 0.301 4.642 4.340 0.002 0.000 0.249 94 L C 1.354 178.276 176.870 0.086 0.000 1.172 94 L CA 0.399 55.270 54.840 0.051 0.000 0.980 94 L CB 0.214 42.300 42.059 0.045 0.000 1.299 94 L HN 0.484 nan 8.230 nan 0.000 0.535 95 G N 1.283 110.138 108.800 0.091 0.000 2.147 95 G HA2 -0.274 3.687 3.960 0.002 0.000 0.244 95 G HA3 -0.274 3.687 3.960 0.002 0.000 0.244 95 G C -0.005 174.966 174.900 0.117 0.000 1.005 95 G CA -0.110 45.044 45.100 0.089 0.000 0.713 95 G HN 0.302 nan 8.290 nan 0.000 0.515 96 I N 1.121 121.789 120.570 0.164 0.000 2.362 96 I HA 0.357 4.528 4.170 0.002 0.000 0.289 96 I C 0.595 176.809 176.117 0.162 0.000 0.994 96 I CA -0.519 60.896 61.300 0.192 0.000 1.158 96 I CB 1.597 39.786 38.000 0.314 0.000 1.315 96 I HN 0.206 nan 8.210 nan 0.000 0.451 97 D N 4.600 125.066 120.400 0.110 0.000 2.398 97 D HA 0.323 4.964 4.640 0.002 0.000 0.210 97 D C -0.008 176.314 176.300 0.036 0.000 1.094 97 D CA -0.120 53.926 54.000 0.075 0.000 0.839 97 D CB 0.738 41.577 40.800 0.064 0.000 0.963 97 D HN 0.370 nan 8.370 nan 0.000 0.506 98 A N -0.364 122.462 122.820 0.010 0.000 2.549 98 A HA 0.688 5.009 4.320 0.002 0.000 0.297 98 A C -1.550 175.924 177.584 -0.184 0.000 1.061 98 A CA -0.714 51.287 52.037 -0.060 0.000 0.690 98 A CB 2.034 21.029 19.000 -0.008 0.000 1.287 98 A HN 0.053 nan 8.150 nan 0.000 0.402 99 V N 1.280 121.020 119.914 -0.289 0.000 2.686 99 V HA 0.506 4.627 4.120 0.002 0.000 0.306 99 V C -0.643 175.285 176.094 -0.276 0.000 1.065 99 V CA -0.597 61.410 62.300 -0.488 0.000 0.894 99 V CB 1.899 33.165 31.823 -0.928 0.000 1.004 99 V HN 0.758 nan 8.190 nan 0.000 0.424 100 V N 5.418 125.213 119.914 -0.199 0.000 2.394 100 V HA 0.652 4.773 4.120 0.002 0.000 0.282 100 V C 0.024 176.084 176.094 -0.056 0.000 1.031 100 V CA -0.349 61.917 62.300 -0.058 0.000 0.881 100 V CB 1.664 33.504 31.823 0.027 0.000 0.982 100 V HN 0.769 nan 8.190 nan 0.000 0.451 101 V N 2.236 122.084 119.914 -0.111 0.000 3.158 101 V HA 1.165 5.286 4.120 0.002 0.000 0.315 101 V C 0.126 175.871 176.094 -0.582 0.000 1.148 101 V CA -0.157 62.012 62.300 -0.218 0.000 1.042 101 V CB 1.734 33.461 31.823 -0.160 0.000 1.101 101 V HN 1.145 nan 8.190 nan 0.000 0.448 102 G N 0.635 108.883 108.800 -0.921 0.000 2.441 102 G HA2 0.627 4.588 3.960 0.002 0.000 0.294 102 G HA3 0.627 4.588 3.960 0.002 0.000 0.294 102 G C -2.257 172.222 174.900 -0.702 0.000 1.393 102 G CA -0.736 43.584 45.100 -1.299 0.000 0.796 102 G HN 0.923 nan 8.290 nan 0.000 0.494 103 Q N -1.165 118.455 119.800 -0.300 0.000 2.309 103 Q HA 0.632 4.973 4.340 0.002 0.000 0.273 103 Q C -0.951 175.197 176.000 0.246 0.000 1.040 103 Q CA -0.701 55.130 55.803 0.048 0.000 0.834 103 Q CB 2.977 31.714 28.738 -0.002 0.000 1.345 103 Q HN 0.540 nan 8.270 nan 0.000 0.414 104 V N 1.732 121.858 119.914 0.355 0.000 2.409 104 V HA 0.820 4.941 4.120 0.002 0.000 0.291 104 V C -0.429 175.952 176.094 0.478 0.000 1.020 104 V CA -0.535 62.022 62.300 0.427 0.000 0.848 104 V CB 1.547 33.631 31.823 0.435 0.000 0.990 104 V HN 0.934 nan 8.190 nan 0.000 0.430 105 T N 3.479 118.272 114.554 0.397 0.000 2.907 105 T HA 0.731 5.082 4.350 0.002 0.000 0.292 105 T C -3.150 171.765 174.700 0.359 0.000 1.043 105 T CA -2.302 59.963 62.100 0.275 0.000 1.003 105 T CB 2.815 71.750 68.868 0.112 0.000 1.084 105 T HN 0.452 nan 8.240 nan 0.000 0.483 106 P HA 0.445 nan 4.420 nan 0.000 0.296 106 P C -1.104 176.185 177.300 -0.019 0.000 1.301 106 P CA -0.711 62.452 63.100 0.104 0.000 0.862 106 P CB 1.181 32.950 31.700 0.116 0.000 1.046 107 N N 2.981 121.622 118.700 -0.099 0.000 2.443 107 N HA 0.304 5.045 4.740 0.002 0.000 0.293 107 N C -1.729 173.733 175.510 -0.080 0.000 1.159 107 N CA -1.868 51.144 53.050 -0.063 0.000 0.904 107 N CB 0.627 39.089 38.487 -0.041 0.000 1.214 107 N HN 0.231 nan 8.380 nan 0.000 0.513 108 P HA -0.051 nan 4.420 nan 0.000 0.223 108 P C 0.232 177.507 177.300 -0.042 0.000 1.151 108 P CA 0.981 64.056 63.100 -0.041 0.000 0.787 108 P CB 0.140 31.825 31.700 -0.025 0.000 0.788 109 D N -1.582 118.793 120.400 -0.043 0.000 2.336 109 D HA 0.107 4.748 4.640 0.002 0.000 0.229 109 D C 1.421 177.690 176.300 -0.050 0.000 1.061 109 D CA 0.440 54.421 54.000 -0.033 0.000 0.875 109 D CB -0.929 39.861 40.800 -0.016 0.000 0.904 109 D HN 0.209 nan 8.370 nan 0.000 0.525 110 G N -0.061 108.679 108.800 -0.100 0.000 2.176 110 G HA2 -0.304 3.657 3.960 0.002 0.000 0.253 110 G HA3 -0.304 3.657 3.960 0.002 0.000 0.253 110 G C 0.524 175.266 174.900 -0.263 0.000 0.979 110 G CA 0.504 45.514 45.100 -0.149 0.000 0.641 110 G HN 0.827 nan 8.290 nan 0.000 0.530 111 S N -0.715 114.869 115.700 -0.194 0.000 2.652 111 S HA 0.801 5.272 4.470 0.002 0.000 0.267 111 S C -0.191 174.216 174.600 -0.322 0.000 1.201 111 S CA -0.249 57.872 58.200 -0.132 0.000 0.996 111 S CB 1.347 64.559 63.200 0.021 0.000 1.054 111 S HN 0.662 nan 8.310 nan 0.000 0.561 112 Y N -0.788 119.593 120.300 0.135 0.000 2.553 112 Y HA 0.456 5.007 4.550 0.002 0.000 0.347 112 Y C -0.473 175.525 175.900 0.164 0.000 1.019 112 Y CA -1.047 57.151 58.100 0.164 0.000 1.032 112 Y CB 1.886 40.450 38.460 0.173 0.000 1.284 112 Y HN 0.730 nan 8.280 nan 0.000 0.466 113 N N 0.509 119.407 118.700 0.329 0.000 2.400 113 N HA 0.652 5.393 4.740 0.002 0.000 0.288 113 N C -1.760 173.919 175.510 0.281 0.000 1.024 113 N CA -0.696 52.502 53.050 0.248 0.000 0.894 113 N CB 2.140 40.718 38.487 0.153 0.000 1.173 113 N HN 0.193 nan 8.380 nan 0.000 0.487 114 V N 1.326 121.411 119.914 0.284 0.000 2.376 114 V HA 0.750 4.871 4.120 0.002 0.000 0.287 114 V C -0.478 175.761 176.094 0.241 0.000 1.015 114 V CA -0.635 61.866 62.300 0.335 0.000 0.834 114 V CB 0.895 32.966 31.823 0.413 0.000 1.001 114 V HN 0.837 nan 8.190 nan 0.000 0.428 115 A N 5.230 128.148 122.820 0.163 0.000 2.365 115 A HA 0.974 5.295 4.320 0.002 0.000 0.318 115 A C -1.189 176.384 177.584 -0.018 0.000 1.091 115 A CA -0.574 51.446 52.037 -0.029 0.000 0.763 115 A CB 1.543 20.469 19.000 -0.124 0.000 1.248 115 A HN 1.116 nan 8.150 nan 0.000 0.442 116 Y N -0.243 119.987 120.300 -0.116 0.000 2.545 116 Y HA 0.816 5.367 4.550 0.002 0.000 0.348 116 Y C -0.825 174.975 175.900 -0.166 0.000 1.002 116 Y CA -1.177 56.807 58.100 -0.193 0.000 1.039 116 Y CB 1.442 39.950 38.460 0.079 0.000 1.271 116 Y HN 0.555 nan 8.280 nan 0.000 0.467 117 Q N 2.747 122.410 119.800 -0.229 0.000 2.375 117 Q HA 0.530 4.871 4.340 0.002 0.000 0.271 117 Q C -1.911 174.114 176.000 0.042 0.000 1.074 117 Q CA -0.821 54.845 55.803 -0.228 0.000 0.808 117 Q CB 2.868 31.482 28.738 -0.208 0.000 1.327 117 Q HN 0.821 nan 8.270 nan 0.000 0.441 118 L N 2.224 123.502 121.223 0.091 0.000 2.272 118 L HA 0.676 5.017 4.340 0.002 0.000 0.289 118 L C -1.487 175.377 176.870 -0.010 0.000 1.032 118 L CA -0.530 54.361 54.840 0.086 0.000 0.810 118 L CB 1.261 43.415 42.059 0.160 0.000 1.205 118 L HN 0.507 nan 8.230 nan 0.000 0.422 119 V N 4.682 124.558 119.914 -0.063 0.000 2.459 119 V HA 0.333 4.454 4.120 0.002 0.000 0.295 119 V C -0.147 175.902 176.094 -0.075 0.000 1.029 119 V CA -0.838 61.417 62.300 -0.076 0.000 0.874 119 V CB 1.559 33.319 31.823 -0.105 0.000 0.985 119 V HN 0.743 nan 8.190 nan 0.000 0.438 120 D N 3.368 123.745 120.400 -0.039 0.000 2.383 120 D HA 0.088 4.729 4.640 0.002 0.000 0.252 120 D C 0.513 176.803 176.300 -0.017 0.000 1.166 120 D CA 0.182 54.170 54.000 -0.020 0.000 0.879 120 D CB 1.663 42.461 40.800 -0.003 0.000 1.164 120 D HN 0.775 nan 8.370 nan 0.000 0.462 121 T N 0.715 115.266 114.554 -0.005 0.000 3.355 121 T HA 0.507 4.858 4.350 0.002 0.000 0.276 121 T C 0.572 175.309 174.700 0.063 0.000 1.003 121 T CA -0.331 61.792 62.100 0.038 0.000 0.943 121 T CB 0.686 69.591 68.868 0.061 0.000 1.158 121 T HN 0.340 nan 8.240 nan 0.000 0.513 122 G N 1.037 109.864 108.800 0.044 0.000 2.825 122 G HA2 0.514 4.475 3.960 0.002 0.000 0.191 122 G HA3 0.514 4.475 3.960 0.002 0.000 0.191 122 G C 1.188 176.108 174.900 0.034 0.000 1.708 122 G CA 0.157 45.284 45.100 0.045 0.000 0.813 122 G HN 0.292 nan 8.290 nan 0.000 0.799 123 G N 0.158 108.974 108.800 0.027 0.000 2.484 123 G HA2 0.350 4.311 3.960 0.002 0.000 0.218 123 G HA3 0.350 4.311 3.960 0.002 0.000 0.218 123 G C 0.787 175.698 174.900 0.018 0.000 1.130 123 G CA 1.651 46.763 45.100 0.021 0.000 0.784 123 G HN 1.276 nan 8.290 nan 0.000 0.543 124 A N 0.818 123.649 122.820 0.017 0.000 3.308 124 A HA 0.605 4.926 4.320 0.002 0.000 0.275 124 A C -2.623 174.969 177.584 0.013 0.000 0.950 124 A CA -1.010 51.035 52.037 0.013 0.000 0.987 124 A CB 0.827 19.832 19.000 0.008 0.000 1.146 124 A HN 0.122 nan 8.150 nan 0.000 0.488 125 P HA 0.226 nan 4.420 nan 0.000 0.264 125 P C 1.071 178.380 177.300 0.016 0.000 1.193 125 P CA 2.061 65.176 63.100 0.025 0.000 0.763 125 P CB 0.921 32.643 31.700 0.037 0.000 0.810 126 G N 1.960 110.765 108.800 0.009 0.000 2.213 126 G HA2 -0.206 3.755 3.960 0.002 0.000 0.236 126 G HA3 -0.206 3.755 3.960 0.002 0.000 0.236 126 G C 0.298 175.192 174.900 -0.011 0.000 0.991 126 G CA 0.289 45.390 45.100 0.002 0.000 0.629 126 G HN 0.863 nan 8.290 nan 0.000 0.517 127 T N -1.015 113.533 114.554 -0.010 0.000 2.913 127 T HA 0.634 4.985 4.350 0.002 0.000 0.287 127 T C 0.230 174.915 174.700 -0.023 0.000 1.008 127 T CA -0.210 61.880 62.100 -0.015 0.000 1.067 127 T CB 2.478 71.340 68.868 -0.009 0.000 0.996 127 T HN 0.787 nan 8.240 nan 0.000 0.513 128 V N 4.081 123.976 119.914 -0.031 0.000 2.385 128 V HA 0.187 4.308 4.120 0.002 0.000 0.269 128 V C 1.289 177.368 176.094 -0.024 0.000 1.043 128 V CA -0.409 61.867 62.300 -0.040 0.000 0.906 128 V CB 0.391 32.177 31.823 -0.062 0.000 0.995 128 V HN 0.866 nan 8.190 nan 0.000 0.467 129 L N 3.810 125.028 121.223 -0.008 0.000 2.270 129 L HA 0.384 4.726 4.340 0.002 0.000 0.210 129 L C 0.962 177.849 176.870 0.028 0.000 1.104 129 L CA 1.112 55.959 54.840 0.013 0.000 0.804 129 L CB -0.054 42.020 42.059 0.024 0.000 0.937 129 L HN 0.791 nan 8.230 nan 0.000 0.450 130 A N -0.159 122.681 122.820 0.034 0.000 2.586 130 A HA 0.655 4.976 4.320 0.002 0.000 0.291 130 A C -1.675 175.859 177.584 -0.084 0.000 1.062 130 A CA -0.550 51.516 52.037 0.048 0.000 0.666 130 A CB 1.435 20.544 19.000 0.183 0.000 1.281 130 A HN 0.113 nan 8.150 nan 0.000 0.421 131 Q N 0.737 120.381 119.800 -0.260 0.000 2.647 131 Q HA 0.701 5.042 4.340 0.002 0.000 0.283 131 Q C -1.738 173.870 176.000 -0.654 0.000 0.943 131 Q CA -1.037 54.308 55.803 -0.764 0.000 0.813 131 Q CB 1.547 30.011 28.738 -0.457 0.000 1.477 131 Q HN 0.718 nan 8.270 nan 0.000 0.393 132 N N -0.343 117.825 118.700 -0.887 0.000 3.179 132 N HA 0.551 5.292 4.740 0.002 0.000 0.250 132 N C -2.046 173.110 175.510 -0.589 0.000 1.507 132 N CA -0.166 52.584 53.050 -0.500 0.000 0.883 132 N CB 2.536 40.878 38.487 -0.242 0.000 1.435 132 N HN 0.624 nan 8.380 nan 0.000 0.532 133 S N 0.321 115.644 115.700 -0.628 0.000 2.546 133 S HA 0.729 5.200 4.470 0.002 0.000 0.272 133 S C -2.012 172.243 174.600 -0.576 0.000 1.140 133 S CA -0.445 57.423 58.200 -0.553 0.000 0.920 133 S CB 0.241 63.298 63.200 -0.238 0.000 1.083 133 S HN 0.355 nan 8.310 nan 0.000 0.476 134 Y N 2.094 122.476 120.300 0.136 0.000 2.391 134 Y HA 0.506 5.057 4.550 0.001 0.000 0.341 134 Y C 0.086 176.075 175.900 0.148 0.000 0.965 134 Y CA -0.966 57.220 58.100 0.142 0.000 1.067 134 Y CB 1.318 39.884 38.460 0.176 0.000 1.199 134 Y HN 0.563 nan 8.280 nan 0.000 0.450 135 K N 3.968 124.527 120.400 0.266 0.000 2.262 135 K HA 0.647 4.968 4.320 0.002 0.000 0.282 135 K C -1.075 175.659 176.600 0.223 0.000 1.066 135 K CA -0.423 55.991 56.287 0.212 0.000 0.901 135 K CB 0.416 32.997 32.500 0.136 0.000 1.089 135 K HN 0.669 nan 8.250 nan 0.000 0.476 136 V N 0.468 120.538 119.914 0.260 0.000 3.130 136 V HA 0.493 4.614 4.120 0.002 0.000 0.310 136 V C -0.636 175.639 176.094 0.301 0.000 1.158 136 V CA -1.398 61.062 62.300 0.266 0.000 1.029 136 V CB 1.740 33.756 31.823 0.321 0.000 1.057 136 V HN 0.642 nan 8.190 nan 0.000 0.436 137 N N 1.011 119.897 118.700 0.311 0.000 2.408 137 N HA 0.292 5.033 4.740 0.002 0.000 0.260 137 N C 0.899 176.601 175.510 0.320 0.000 1.242 137 N CA -0.181 53.052 53.050 0.306 0.000 0.959 137 N CB 1.121 39.775 38.487 0.278 0.000 1.201 137 N HN 0.957 nan 8.380 nan 0.000 0.511 138 K N 0.581 121.156 120.400 0.292 0.000 2.113 138 K HA -0.227 4.095 4.320 0.002 0.000 0.208 138 K C 0.761 177.350 176.600 -0.017 0.000 1.047 138 K CA 1.671 58.067 56.287 0.182 0.000 0.928 138 K CB 0.109 32.721 32.500 0.187 0.000 0.716 138 K HN 0.412 nan 8.250 nan 0.000 0.446 139 Q N -1.363 118.384 119.800 -0.088 0.000 2.472 139 Q HA -0.069 4.272 4.340 0.002 0.000 0.208 139 Q C 0.230 175.799 176.000 -0.718 0.000 0.958 139 Q CA 0.878 56.445 55.803 -0.393 0.000 0.932 139 Q CB 0.020 28.470 28.738 -0.480 0.000 1.007 139 Q HN 0.432 nan 8.270 nan 0.000 0.508 140 W N -1.102 120.207 121.300 0.015 0.000 2.966 140 W HA 0.302 4.963 4.660 0.001 0.000 0.406 140 W C 0.590 177.141 176.519 0.053 0.000 1.027 140 W CA -0.543 56.815 57.345 0.023 0.000 1.930 140 W CB 0.396 29.837 29.460 -0.032 0.000 1.144 140 W HN 0.046 nan 8.180 nan 0.000 0.626 141 L N 0.972 122.236 121.223 0.069 0.000 2.012 141 L HA -0.192 4.149 4.340 0.002 0.000 0.210 141 L C 2.349 179.175 176.870 -0.073 0.000 1.073 141 L CA 1.855 56.682 54.840 -0.022 0.000 0.748 141 L CB -1.211 40.743 42.059 -0.176 0.000 0.891 141 L HN 0.101 nan 8.230 nan 0.000 0.431 142 R N -2.002 118.417 120.500 -0.135 0.000 2.091 142 R HA -0.245 4.096 4.340 0.002 0.000 0.238 142 R C 2.248 178.436 176.300 -0.187 0.000 1.136 142 R CA 1.703 57.641 56.100 -0.270 0.000 0.959 142 R CB -0.686 29.453 30.300 -0.268 0.000 0.856 142 R HN 0.344 nan 8.270 nan 0.000 0.437 143 Y N 1.275 121.599 120.300 0.040 0.000 2.181 143 Y HA -0.233 4.319 4.550 0.002 0.000 0.288 143 Y C 2.340 178.262 175.900 0.036 0.000 1.146 143 Y CA 1.444 59.668 58.100 0.207 0.000 1.164 143 Y CB -0.193 38.536 38.460 0.449 0.000 0.982 143 Y HN 0.068 nan 8.280 nan 0.000 0.515 144 A N 0.112 123.041 122.820 0.181 0.000 1.902 144 A HA -0.090 4.231 4.320 0.002 0.000 0.217 144 A C 2.470 179.997 177.584 -0.094 0.000 1.181 144 A CA 1.635 53.670 52.037 -0.004 0.000 0.623 144 A CB -1.717 17.389 19.000 0.177 0.000 0.818 144 A HN 0.590 nan 8.150 nan 0.000 0.443 145 G N -0.839 107.882 108.800 -0.132 0.000 2.446 145 G HA2 -0.289 3.672 3.960 0.002 0.000 0.217 145 G HA3 -0.289 3.672 3.960 0.002 0.000 0.217 145 G C 1.356 176.124 174.900 -0.219 0.000 1.168 145 G CA 1.298 46.259 45.100 -0.231 0.000 0.771 145 G HN 0.784 nan 8.290 nan 0.000 0.551 146 H N -0.424 118.572 119.070 -0.124 0.000 2.491 146 H HA 0.016 4.573 4.556 0.002 0.000 0.290 146 H C 2.755 177.997 175.328 -0.144 0.000 1.050 146 H CA 1.178 57.164 56.048 -0.103 0.000 1.309 146 H CB 0.249 29.996 29.762 -0.025 0.000 1.392 146 H HN 0.314 nan 8.280 nan 0.000 0.554 147 T N -0.026 114.431 114.554 -0.161 0.000 2.851 147 T HA -0.051 4.300 4.350 0.002 0.000 0.262 147 T C 2.384 177.035 174.700 -0.081 0.000 1.043 147 T CA 0.813 62.755 62.100 -0.264 0.000 1.140 147 T CB -0.243 68.231 68.868 -0.657 0.000 0.872 147 T HN 0.467 nan 8.240 nan 0.000 0.446 148 A N 1.712 124.521 122.820 -0.018 0.000 1.877 148 A HA -0.105 4.216 4.320 0.002 0.000 0.216 148 A C 2.589 180.004 177.584 -0.281 0.000 1.186 148 A CA 2.002 53.959 52.037 -0.134 0.000 0.620 148 A CB -0.973 18.006 19.000 -0.035 0.000 0.822 148 A HN 0.439 nan 8.150 nan 0.000 0.443 149 S N 0.321 115.919 115.700 -0.169 0.000 2.359 149 S HA -0.191 4.280 4.470 0.002 0.000 0.224 149 S C 1.660 176.329 174.600 0.115 0.000 1.035 149 S CA 1.522 59.621 58.200 -0.168 0.000 1.018 149 S CB -0.526 62.419 63.200 -0.426 0.000 0.876 149 S HN 0.605 nan 8.310 nan 0.000 0.448 150 D N 1.185 121.707 120.400 0.203 0.000 2.104 150 D HA -0.112 4.529 4.640 0.002 0.000 0.194 150 D C 2.066 178.472 176.300 0.176 0.000 0.994 150 D CA 1.128 55.257 54.000 0.214 0.000 0.830 150 D CB -0.361 40.474 40.800 0.059 0.000 0.959 150 D HN 0.531 nan 8.370 nan 0.000 0.452 151 E N 0.007 120.256 120.200 0.082 0.000 2.110 151 E HA -0.116 4.235 4.350 0.002 0.000 0.193 151 E C 2.264 178.909 176.600 0.075 0.000 0.988 151 E CA 0.599 57.057 56.400 0.097 0.000 0.804 151 E CB 0.126 29.927 29.700 0.168 0.000 0.745 151 E HN 0.121 nan 8.360 nan 0.000 0.458 152 V N 0.984 120.880 119.914 -0.031 0.000 2.283 152 V HA -0.221 3.900 4.120 0.002 0.000 0.243 152 V C 1.973 178.095 176.094 0.047 0.000 1.039 152 V CA 1.614 63.884 62.300 -0.050 0.000 1.016 152 V CB -0.535 31.162 31.823 -0.210 0.000 0.650 152 V HN 0.211 nan 8.190 nan 0.000 0.449 153 F N 1.370 121.306 119.950 -0.022 0.000 2.063 153 F HA -0.328 4.200 4.527 0.002 0.000 0.298 153 F C 2.566 178.453 175.800 0.145 0.000 1.105 153 F CA 2.649 60.736 58.000 0.145 0.000 1.215 153 F CB -0.251 38.920 39.000 0.284 0.000 0.972 153 F HN 0.263 nan 8.300 nan 0.000 0.483 154 E N -0.052 120.295 120.200 0.244 0.000 2.106 154 E HA -0.274 4.077 4.350 0.002 0.000 0.192 154 E C 2.179 178.792 176.600 0.022 0.000 0.984 154 E CA 1.251 57.709 56.400 0.097 0.000 0.806 154 E CB -0.187 29.590 29.700 0.127 0.000 0.750 154 E HN 0.289 nan 8.360 nan 0.000 0.458 155 K N 0.569 121.002 120.400 0.054 0.000 2.057 155 K HA -0.091 4.230 4.320 0.002 0.000 0.207 155 K C 1.830 178.447 176.600 0.028 0.000 1.049 155 K CA 1.380 57.694 56.287 0.045 0.000 0.931 155 K CB -0.143 32.398 32.500 0.069 0.000 0.714 155 K HN 0.229 nan 8.250 nan 0.000 0.440 156 L N -0.208 121.040 121.223 0.042 0.000 2.477 156 L HA 0.090 4.431 4.340 0.002 0.000 0.220 156 L C 1.760 178.626 176.870 -0.005 0.000 1.106 156 L CA 1.106 55.990 54.840 0.074 0.000 0.851 156 L CB -0.077 42.121 42.059 0.232 0.000 0.994 156 L HN 0.370 nan 8.230 nan 0.000 0.462 157 T N -5.409 109.070 114.554 -0.125 0.000 2.971 157 T HA 0.248 4.599 4.350 0.002 0.000 0.252 157 T C 1.527 176.122 174.700 -0.175 0.000 1.022 157 T CA 0.561 62.517 62.100 -0.241 0.000 0.980 157 T CB 0.878 69.410 68.868 -0.559 0.000 1.044 157 T HN 0.293 nan 8.240 nan 0.000 0.501 158 G N 1.671 110.398 108.800 -0.121 0.000 2.184 158 G HA2 -0.215 3.746 3.960 0.002 0.000 0.264 158 G HA3 -0.215 3.746 3.960 0.002 0.000 0.264 158 G C -0.009 174.862 174.900 -0.049 0.000 0.975 158 G CA 0.373 45.435 45.100 -0.063 0.000 0.642 158 G HN 0.682 nan 8.290 nan 0.000 0.536 159 I N 0.412 120.931 120.570 -0.085 0.000 2.412 159 I HA 0.354 4.525 4.170 0.002 0.000 0.296 159 I C 0.716 176.943 176.117 0.183 0.000 0.987 159 I CA -0.961 60.360 61.300 0.036 0.000 1.180 159 I CB 1.678 39.712 38.000 0.057 0.000 1.340 159 I HN 0.032 nan 8.210 nan 0.000 0.455 160 K N 3.601 124.087 120.400 0.144 0.000 2.448 160 K HA 0.226 4.547 4.320 0.002 0.000 0.278 160 K C 0.260 176.930 176.600 0.117 0.000 1.009 160 K CA -0.111 56.221 56.287 0.075 0.000 0.995 160 K CB 0.659 33.096 32.500 -0.104 0.000 0.917 160 K HN 0.851 nan 8.250 nan 0.000 0.481 161 G N 1.556 110.366 108.800 0.017 0.000 2.467 161 G HA2 0.423 4.384 3.960 0.002 0.000 0.257 161 G HA3 0.423 4.384 3.960 0.002 0.000 0.257 161 G C -0.157 174.511 174.900 -0.386 0.000 1.227 161 G CA -0.270 44.618 45.100 -0.354 0.000 0.835 161 G HN 0.705 nan 8.290 nan 0.000 0.556 162 A N 1.181 123.532 122.820 -0.782 0.000 2.616 162 A HA 0.494 4.815 4.320 0.002 0.000 0.294 162 A C 0.694 177.902 177.584 -0.627 0.000 1.091 162 A CA -0.400 51.333 52.037 -0.507 0.000 0.971 162 A CB 0.061 18.709 19.000 -0.586 0.000 1.222 162 A HN 0.481 nan 8.150 nan 0.000 0.521 163 F N 0.271 119.984 119.950 -0.394 0.000 2.710 163 F HA 0.111 4.639 4.527 0.001 0.000 0.298 163 F C 2.046 177.596 175.800 -0.417 0.000 1.137 163 F CA 0.644 58.337 58.000 -0.512 0.000 1.444 163 F CB 0.046 38.858 39.000 -0.313 0.000 1.111 163 F HN 0.232 nan 8.300 nan 0.000 0.580 164 R N 0.118 120.565 120.500 -0.088 0.000 2.334 164 R HA 0.088 4.429 4.340 0.002 0.000 0.220 164 R C 0.748 177.095 176.300 0.078 0.000 0.917 164 R CA 0.297 56.382 56.100 -0.025 0.000 1.073 164 R CB -0.638 29.581 30.300 -0.136 0.000 1.056 164 R HN 0.217 nan 8.270 nan 0.000 0.506 165 T N -1.018 113.575 114.554 0.066 0.000 2.788 165 T HA 0.327 4.678 4.350 0.002 0.000 0.287 165 T C 0.436 175.220 174.700 0.140 0.000 1.007 165 T CA -0.622 61.538 62.100 0.101 0.000 1.005 165 T CB 1.619 70.619 68.868 0.219 0.000 1.012 165 T HN 0.056 nan 8.240 nan 0.000 0.530 166 R N 0.000 120.491 120.500 -0.015 0.000 2.873 166 R HA 0.755 5.096 4.340 0.002 0.000 0.264 166 R C -0.335 175.938 176.300 -0.046 0.000 1.026 166 R CA -1.037 55.083 56.100 0.033 0.000 1.002 166 R CB 1.469 31.838 30.300 0.115 0.000 1.174 166 R HN 0.809 nan 8.270 nan 0.000 0.488 167 I N -1.776 118.861 120.570 0.112 0.000 2.785 167 I HA 0.783 4.954 4.170 0.002 0.000 0.302 167 I C -0.711 175.618 176.117 0.354 0.000 1.069 167 I CA -1.157 60.248 61.300 0.175 0.000 1.045 167 I CB 2.293 40.270 38.000 -0.039 0.000 1.236 167 I HN 0.547 nan 8.210 nan 0.000 0.429 168 A N 4.042 127.089 122.820 0.378 0.000 2.320 168 A HA 0.940 5.261 4.320 0.002 0.000 0.334 168 A C -1.232 176.373 177.584 0.036 0.000 1.147 168 A CA -0.445 51.561 52.037 -0.053 0.000 0.820 168 A CB 0.987 19.832 19.000 -0.259 0.000 1.218 168 A HN 0.894 nan 8.150 nan 0.000 0.482 169 Y N -2.055 118.228 120.300 -0.029 0.000 2.677 169 Y HA 0.611 5.162 4.550 0.002 0.000 0.334 169 Y C -1.152 174.752 175.900 0.006 0.000 1.196 169 Y CA -1.472 56.640 58.100 0.020 0.000 1.059 169 Y CB 0.753 39.215 38.460 0.003 0.000 1.315 169 Y HN 0.384 nan 8.280 nan 0.000 0.455 170 V N 2.665 122.753 119.914 0.289 0.000 2.398 170 V HA 0.568 4.689 4.120 0.002 0.000 0.286 170 V C -0.531 175.718 176.094 0.259 0.000 1.026 170 V CA -0.803 61.633 62.300 0.227 0.000 0.868 170 V CB 1.361 33.371 31.823 0.310 0.000 0.982 170 V HN 0.667 nan 8.190 nan 0.000 0.443 171 V N 5.194 125.226 119.914 0.198 0.000 2.398 171 V HA 0.433 4.554 4.120 0.002 0.000 0.286 171 V C -0.087 176.068 176.094 0.102 0.000 1.026 171 V CA -0.527 61.859 62.300 0.143 0.000 0.868 171 V CB 1.546 33.440 31.823 0.119 0.000 0.982 171 V HN 0.945 nan 8.190 nan 0.000 0.443 172 Q N 3.411 123.248 119.800 0.061 0.000 2.348 172 Q HA 0.490 4.831 4.340 0.002 0.000 0.265 172 Q C 0.054 175.997 176.000 -0.096 0.000 0.998 172 Q CA -0.518 55.259 55.803 -0.043 0.000 0.831 172 Q CB 1.578 30.320 28.738 0.007 0.000 1.251 172 Q HN 0.952 nan 8.270 nan 0.000 0.456 173 T N 0.945 115.413 114.554 -0.144 0.000 2.824 173 T HA 0.271 4.622 4.350 0.002 0.000 0.277 173 T C 0.849 175.471 174.700 -0.131 0.000 0.975 173 T CA -0.614 61.422 62.100 -0.107 0.000 0.966 173 T CB 0.772 69.595 68.868 -0.074 0.000 1.054 173 T HN 0.551 nan 8.240 nan 0.000 0.533 174 N N 0.316 118.964 118.700 -0.087 0.000 2.173 174 N HA 0.155 4.896 4.740 0.002 0.000 0.184 174 N C 1.145 176.606 175.510 -0.082 0.000 1.025 174 N CA 1.308 54.312 53.050 -0.076 0.000 0.852 174 N CB -0.447 38.010 38.487 -0.050 0.000 0.998 174 N HN 0.856 nan 8.380 nan 0.000 0.427 175 G N -1.887 106.869 108.800 -0.073 0.000 3.302 175 G HA2 0.533 4.494 3.960 0.002 0.000 0.170 175 G HA3 0.533 4.494 3.960 0.002 0.000 0.170 175 G C -0.319 174.541 174.900 -0.066 0.000 1.119 175 G CA 0.127 45.187 45.100 -0.067 0.000 0.826 175 G HN 0.460 nan 8.290 nan 0.000 0.646 176 G N -1.484 107.291 108.800 -0.041 0.000 2.781 176 G HA2 -0.106 3.855 3.960 0.002 0.000 0.683 176 G HA3 -0.106 3.855 3.960 0.002 0.000 0.683 176 G C 0.415 175.288 174.900 -0.046 0.000 1.390 176 G CA 0.525 45.614 45.100 -0.017 0.000 0.850 176 G HN 0.711 nan 8.290 nan 0.000 0.557 177 Q N -0.711 119.075 119.800 -0.022 0.000 2.245 177 Q HA 0.254 4.595 4.340 0.002 0.000 0.201 177 Q C 0.621 176.318 176.000 -0.505 0.000 0.955 177 Q CA 1.250 56.919 55.803 -0.224 0.000 0.870 177 Q CB 0.276 28.886 28.738 -0.213 0.000 0.945 177 Q HN 0.489 nan 8.270 nan 0.000 0.461 178 F N 0.179 120.115 119.950 -0.023 0.000 2.453 178 F HA 0.317 4.845 4.527 0.002 0.000 0.358 178 F C -1.920 173.845 175.800 -0.059 0.000 1.129 178 F CA -2.263 55.728 58.000 -0.016 0.000 1.200 178 F CB 1.457 40.438 39.000 -0.032 0.000 1.431 178 F HN -0.064 nan 8.300 nan 0.000 0.503 179 P HA -0.094 nan 4.420 nan 0.000 0.229 179 P C -0.628 176.468 177.300 -0.340 0.000 1.160 179 P CA 1.139 64.077 63.100 -0.271 0.000 0.777 179 P CB 0.022 31.404 31.700 -0.529 0.000 0.814 180 Y N 0.229 120.574 120.300 0.075 0.000 2.331 180 Y HA 0.435 4.986 4.550 0.002 0.000 0.338 180 Y C 0.666 176.594 175.900 0.048 0.000 0.976 180 Y CA -0.786 57.356 58.100 0.069 0.000 1.137 180 Y CB 1.264 39.774 38.460 0.083 0.000 1.172 180 Y HN -0.193 nan 8.280 nan 0.000 0.478 181 E N 3.151 123.437 120.200 0.143 0.000 2.234 181 E HA 0.368 4.719 4.350 0.002 0.000 0.266 181 E C -1.636 174.951 176.600 -0.022 0.000 0.877 181 E CA -1.221 55.200 56.400 0.034 0.000 0.758 181 E CB 2.848 32.545 29.700 -0.005 0.000 1.170 181 E HN 0.405 nan 8.360 nan 0.000 0.415 182 L N 3.527 124.675 121.223 -0.125 0.000 2.265 182 L HA 0.378 4.719 4.340 0.002 0.000 0.288 182 L C -0.696 175.973 176.870 -0.335 0.000 1.058 182 L CA 0.143 54.825 54.840 -0.263 0.000 0.809 182 L CB 0.323 42.100 42.059 -0.470 0.000 1.179 182 L HN 0.468 nan 8.230 nan 0.000 0.429 183 R N 3.526 123.746 120.500 -0.466 0.000 2.892 183 R HA 0.844 5.185 4.340 0.002 0.000 0.265 183 R C -1.452 174.279 176.300 -0.950 0.000 1.025 183 R CA -1.127 54.573 56.100 -0.666 0.000 0.982 183 R CB 2.183 32.135 30.300 -0.580 0.000 1.185 183 R HN 0.417 nan 8.270 nan 0.000 0.484 184 V N 0.899 120.225 119.914 -0.979 0.000 2.735 184 V HA 0.525 4.646 4.120 0.002 0.000 0.310 184 V C -0.493 175.327 176.094 -0.457 0.000 1.061 184 V CA -0.510 61.342 62.300 -0.747 0.000 0.913 184 V CB 2.056 33.427 31.823 -0.754 0.000 1.005 184 V HN 1.041 nan 8.190 nan 0.000 0.428 185 S N 1.587 117.245 115.700 -0.069 0.000 2.651 185 S HA 0.618 5.089 4.470 0.002 0.000 0.279 185 S C -1.107 173.609 174.600 0.195 0.000 1.148 185 S CA -1.008 57.272 58.200 0.133 0.000 0.837 185 S CB 1.881 65.194 63.200 0.189 0.000 1.138 185 S HN 0.555 nan 8.310 nan 0.000 0.478 186 D N 0.863 121.391 120.400 0.212 0.000 2.370 186 D HA 0.074 4.715 4.640 0.002 0.000 0.235 186 D C 1.111 177.461 176.300 0.084 0.000 1.228 186 D CA 0.267 54.386 54.000 0.198 0.000 0.884 186 D CB -0.012 40.932 40.800 0.241 0.000 1.201 186 D HN 0.781 nan 8.370 nan 0.000 0.456 187 Y N 0.197 120.497 120.300 0.001 0.000 2.403 187 Y HA -0.132 4.418 4.550 0.001 0.000 0.291 187 Y C 1.064 176.936 175.900 -0.046 0.000 1.143 187 Y CA 1.275 59.299 58.100 -0.127 0.000 1.257 187 Y CB -0.319 38.104 38.460 -0.062 0.000 0.984 187 Y HN 0.213 nan 8.280 nan 0.000 0.550 188 D N -0.858 118.958 120.400 -0.974 0.000 2.342 188 D HA 0.216 4.857 4.640 0.002 0.000 0.221 188 D C 1.778 177.927 176.300 -0.251 0.000 1.101 188 D CA 0.368 53.957 54.000 -0.686 0.000 0.837 188 D CB -0.008 40.412 40.800 -0.632 0.000 0.938 188 D HN 0.545 nan 8.370 nan 0.000 0.508 189 G N -0.706 107.987 108.800 -0.178 0.000 2.217 189 G HA2 -0.299 3.662 3.960 0.002 0.000 0.246 189 G HA3 -0.299 3.662 3.960 0.002 0.000 0.246 189 G C -0.034 174.758 174.900 -0.180 0.000 0.990 189 G CA -0.025 44.971 45.100 -0.173 0.000 0.627 189 G HN 0.367 nan 8.290 nan 0.000 0.522 190 Y N 0.645 120.928 120.300 -0.029 0.000 2.299 190 Y HA 0.441 4.992 4.550 0.001 0.000 0.335 190 Y C 1.533 177.465 175.900 0.053 0.000 1.287 190 Y CA 0.455 58.558 58.100 0.005 0.000 1.424 190 Y CB 0.365 38.824 38.460 -0.002 0.000 1.326 190 Y HN 0.222 nan 8.280 nan 0.000 0.567 191 N N 0.701 119.528 118.700 0.212 0.000 2.740 191 N HA -0.254 4.487 4.740 0.002 0.000 0.248 191 N C -0.459 175.194 175.510 0.237 0.000 1.062 191 N CA 0.640 53.794 53.050 0.173 0.000 0.704 191 N CB -0.879 37.698 38.487 0.150 0.000 0.968 191 N HN 0.726 nan 8.380 nan 0.000 0.547 192 Q N 0.001 119.902 119.800 0.169 0.000 2.364 192 Q HA 0.339 4.680 4.340 0.002 0.000 0.267 192 Q C -0.211 175.940 176.000 0.250 0.000 0.999 192 Q CA 0.150 56.040 55.803 0.145 0.000 0.886 192 Q CB 0.385 29.173 28.738 0.083 0.000 1.243 192 Q HN 0.318 nan 8.270 nan 0.000 0.415 193 F N -0.379 119.561 119.950 -0.017 0.000 2.686 193 F HA 0.584 5.112 4.527 0.002 0.000 0.311 193 F C -1.689 174.072 175.800 -0.064 0.000 1.128 193 F CA -1.311 56.672 58.000 -0.029 0.000 0.946 193 F CB 0.665 39.658 39.000 -0.012 0.000 1.336 193 F HN 0.123 nan 8.300 nan 0.000 0.457 194 V N 2.514 122.472 119.914 0.074 0.000 2.383 194 V HA 0.246 4.367 4.120 0.002 0.000 0.275 194 V C 0.556 176.640 176.094 -0.016 0.000 1.036 194 V CA -0.378 61.881 62.300 -0.068 0.000 0.889 194 V CB 1.023 32.825 31.823 -0.035 0.000 0.985 194 V HN 0.884 nan 8.190 nan 0.000 0.459 195 V N 3.491 123.313 119.914 -0.154 0.000 2.500 195 V HA 0.075 4.196 4.120 0.002 0.000 0.243 195 V C 0.462 176.575 176.094 0.032 0.000 1.039 195 V CA 1.170 63.434 62.300 -0.060 0.000 1.053 195 V CB -0.394 31.296 31.823 -0.221 0.000 0.695 195 V HN 0.983 nan 8.190 nan 0.000 0.463 196 H N -0.523 118.450 119.070 -0.162 0.000 3.123 196 H HA 0.564 5.121 4.556 0.002 0.000 0.346 196 H C -0.614 174.667 175.328 -0.077 0.000 1.138 196 H CA -0.780 55.205 56.048 -0.105 0.000 1.273 196 H CB 1.142 30.820 29.762 -0.141 0.000 1.926 196 H HN 0.106 nan 8.280 nan 0.000 0.524 197 R N 2.458 122.637 120.500 -0.535 0.000 2.668 197 R HA 0.702 5.043 4.340 0.002 0.000 0.279 197 R C -0.939 175.221 176.300 -0.235 0.000 0.976 197 R CA -1.046 54.880 56.100 -0.289 0.000 0.978 197 R CB 2.149 32.274 30.300 -0.292 0.000 1.133 197 R HN 0.510 nan 8.270 nan 0.000 0.484 198 S N 0.881 116.707 115.700 0.211 0.000 2.533 198 S HA 0.375 4.846 4.470 0.002 0.000 0.271 198 S C -2.371 172.441 174.600 0.353 0.000 1.143 198 S CA -1.413 56.993 58.200 0.342 0.000 0.891 198 S CB 1.859 65.243 63.200 0.306 0.000 1.105 198 S HN 0.445 nan 8.310 nan 0.000 0.468 199 P HA 0.144 nan 4.420 nan 0.000 0.245 199 P C -0.323 177.110 177.300 0.222 0.000 1.206 199 P CA 0.466 63.549 63.100 -0.028 0.000 0.781 199 P CB 0.249 31.785 31.700 -0.273 0.000 0.994 200 Q N -0.496 119.438 119.800 0.222 0.000 2.496 200 Q HA 0.465 4.806 4.340 0.002 0.000 0.286 200 Q C -2.745 172.947 176.000 -0.513 0.000 1.103 200 Q CA -2.746 53.064 55.803 0.011 0.000 0.813 200 Q CB 0.462 29.237 28.738 0.062 0.000 1.444 200 Q HN -0.100 nan 8.270 nan 0.000 0.443 201 P HA 0.007 nan 4.420 nan 0.000 0.264 201 P C -0.701 176.462 177.300 -0.227 0.000 1.179 201 P CA 0.648 63.162 63.100 -0.976 0.000 0.763 201 P CB 0.372 31.688 31.700 -0.640 0.000 0.806 202 L N 3.675 124.801 121.223 -0.161 0.000 2.346 202 L HA 0.596 4.937 4.340 0.002 0.000 0.274 202 L C 0.231 176.982 176.870 -0.198 0.000 1.007 202 L CA -0.547 54.281 54.840 -0.021 0.000 0.818 202 L CB 1.381 43.450 42.059 0.016 0.000 1.284 202 L HN 0.296 nan 8.230 nan 0.000 0.424 203 M N 0.485 119.898 119.600 -0.312 0.000 2.593 203 M HA 0.366 4.847 4.480 0.002 0.000 0.290 203 M C -0.020 175.876 176.300 -0.674 0.000 1.244 203 M CA -0.750 53.969 55.300 -0.967 0.000 0.857 203 M CB 2.211 34.505 32.600 -0.509 0.000 1.738 203 M HN 0.490 nan 8.290 nan 0.000 0.461 204 S N 0.469 115.612 115.700 -0.927 0.000 3.524 204 S HA -0.078 4.393 4.470 0.002 0.000 0.377 204 S C -2.391 172.195 174.600 -0.024 0.000 0.949 204 S CA -0.049 58.046 58.200 -0.175 0.000 1.264 204 S CB -1.943 61.247 63.200 -0.016 0.000 0.918 204 S HN 0.501 nan 8.310 nan 0.000 0.517 205 P HA 0.544 nan 4.420 nan 0.000 0.275 205 P C -0.556 176.785 177.300 0.069 0.000 1.228 205 P CA -0.219 62.887 63.100 0.009 0.000 0.786 205 P CB 1.070 32.708 31.700 -0.102 0.000 0.927 206 A N 2.821 125.696 122.820 0.092 0.000 2.459 206 A HA 0.516 4.837 4.320 0.002 0.000 0.296 206 A C -1.542 176.220 177.584 0.297 0.000 1.039 206 A CA -0.649 51.539 52.037 0.251 0.000 0.698 206 A CB 0.694 19.882 19.000 0.314 0.000 1.261 206 A HN 0.418 nan 8.150 nan 0.000 0.405 207 W N 2.170 123.624 121.300 0.258 0.000 2.261 207 W HA 0.464 5.125 4.660 0.002 0.000 0.323 207 W C 1.093 177.538 176.519 -0.124 0.000 1.243 207 W CA 0.467 57.864 57.345 0.086 0.000 1.210 207 W CB 1.415 30.918 29.460 0.070 0.000 1.149 207 W HN 0.814 nan 8.180 nan 0.000 0.562 208 S N 3.164 118.609 115.700 -0.426 0.000 2.585 208 S HA 0.200 4.671 4.470 0.002 0.000 0.273 208 S C -1.484 173.005 174.600 -0.186 0.000 1.339 208 S CA -1.065 56.611 58.200 -0.874 0.000 1.028 208 S CB 1.280 63.856 63.200 -1.038 0.000 0.906 208 S HN 0.390 nan 8.310 nan 0.000 0.528 209 P HA -0.061 nan 4.420 nan 0.000 0.226 209 P C 0.505 177.793 177.300 -0.020 0.000 1.153 209 P CA 1.090 64.173 63.100 -0.028 0.000 0.777 209 P CB -0.211 31.477 31.700 -0.020 0.000 0.794 210 D N -1.492 118.887 120.400 -0.035 0.000 2.339 210 D HA 0.090 4.731 4.640 0.002 0.000 0.217 210 D C 1.486 177.806 176.300 0.034 0.000 1.050 210 D CA 0.568 54.567 54.000 -0.002 0.000 0.856 210 D CB -0.837 39.957 40.800 -0.009 0.000 0.922 210 D HN 0.213 nan 8.370 nan 0.000 0.518 211 G N 0.235 109.077 108.800 0.070 0.000 2.176 211 G HA2 -0.351 3.610 3.960 0.002 0.000 0.253 211 G HA3 -0.351 3.610 3.960 0.002 0.000 0.253 211 G C 1.126 176.206 174.900 0.300 0.000 0.979 211 G CA 0.841 46.062 45.100 0.201 0.000 0.641 211 G HN 0.700 nan 8.290 nan 0.000 0.530 212 S N -1.082 114.703 115.700 0.141 0.000 2.501 212 S HA 0.412 4.883 4.470 0.002 0.000 0.220 212 S C 0.800 175.451 174.600 0.085 0.000 0.997 212 S CA 1.063 59.334 58.200 0.117 0.000 0.919 212 S CB 0.458 63.689 63.200 0.051 0.000 0.778 212 S HN 0.599 nan 8.310 nan 0.000 0.523 213 K N 0.281 120.688 120.400 0.011 0.000 2.435 213 K HA 0.650 4.971 4.320 0.002 0.000 0.251 213 K C -1.571 174.967 176.600 -0.104 0.000 0.954 213 K CA -0.633 55.627 56.287 -0.046 0.000 0.820 213 K CB 2.174 34.619 32.500 -0.091 0.000 1.292 213 K HN 0.067 nan 8.250 nan 0.000 0.436 214 L N 1.737 122.924 121.223 -0.060 0.000 2.362 214 L HA 0.590 4.931 4.340 0.002 0.000 0.275 214 L C -0.563 176.417 176.870 0.184 0.000 0.998 214 L CA -0.930 53.872 54.840 -0.062 0.000 0.820 214 L CB 1.963 43.868 42.059 -0.256 0.000 1.270 214 L HN 0.776 nan 8.230 nan 0.000 0.415 215 A N 3.460 126.463 122.820 0.304 0.000 2.304 215 A HA 0.780 5.101 4.320 0.002 0.000 0.301 215 A C -1.200 176.444 177.584 0.100 0.000 1.132 215 A CA -0.159 51.944 52.037 0.111 0.000 0.819 215 A CB 0.674 19.669 19.000 -0.009 0.000 1.094 215 A HN 0.686 nan 8.150 nan 0.000 0.492 216 Y N -1.585 118.630 120.300 -0.141 0.000 2.713 216 Y HA 0.615 5.166 4.550 0.002 0.000 0.335 216 Y C -1.266 174.507 175.900 -0.211 0.000 1.222 216 Y CA -1.489 56.506 58.100 -0.174 0.000 1.061 216 Y CB 0.647 39.000 38.460 -0.179 0.000 1.314 216 Y HN 0.415 nan 8.280 nan 0.000 0.453 217 V N 1.740 121.641 119.914 -0.023 0.000 2.435 217 V HA 0.655 4.776 4.120 0.002 0.000 0.290 217 V C -0.264 175.831 176.094 0.001 0.000 1.030 217 V CA -0.203 62.009 62.300 -0.147 0.000 0.881 217 V CB 1.355 33.095 31.823 -0.138 0.000 0.983 217 V HN 0.914 nan 8.190 nan 0.000 0.445 218 T N 3.535 118.033 114.554 -0.094 0.000 2.841 218 T HA 0.560 4.911 4.350 0.002 0.000 0.283 218 T C -0.139 174.519 174.700 -0.069 0.000 1.000 218 T CA -0.285 61.843 62.100 0.046 0.000 0.977 218 T CB 0.809 69.746 68.868 0.115 0.000 0.979 218 T HN 0.353 nan 8.240 nan 0.000 0.446 219 F N 1.975 121.899 119.950 -0.043 0.000 2.693 219 F HA 0.219 4.747 4.527 0.002 0.000 0.303 219 F C 2.199 177.989 175.800 -0.018 0.000 1.097 219 F CA -0.283 57.691 58.000 -0.043 0.000 1.330 219 F CB 0.229 39.191 39.000 -0.063 0.000 1.067 219 F HN 0.790 nan 8.300 nan 0.000 0.565 220 E N -0.255 120.034 120.200 0.149 0.000 2.333 220 E HA -0.201 4.150 4.350 0.002 0.000 0.198 220 E C 1.803 178.452 176.600 0.082 0.000 1.007 220 E CA 1.454 57.933 56.400 0.132 0.000 0.845 220 E CB -0.436 29.375 29.700 0.186 0.000 0.766 220 E HN 0.381 nan 8.360 nan 0.000 0.507 221 S N -0.493 115.231 115.700 0.040 0.000 2.603 221 S HA 0.260 4.731 4.470 0.002 0.000 0.220 221 S C 1.608 176.222 174.600 0.023 0.000 0.967 221 S CA 0.323 58.530 58.200 0.012 0.000 0.920 221 S CB 0.233 63.411 63.200 -0.036 0.000 0.773 221 S HN 0.604 nan 8.310 nan 0.000 0.529 222 G N 0.632 109.469 108.800 0.062 0.000 2.176 222 G HA2 -0.205 3.756 3.960 0.002 0.000 0.232 222 G HA3 -0.205 3.756 3.960 0.002 0.000 0.232 222 G C 0.035 174.995 174.900 0.101 0.000 0.986 222 G CA 0.067 45.218 45.100 0.084 0.000 0.643 222 G HN 0.653 nan 8.290 nan 0.000 0.522 223 R N 0.440 120.961 120.500 0.035 0.000 2.740 223 R HA 0.575 4.916 4.340 0.002 0.000 0.273 223 R C 0.503 176.604 176.300 -0.331 0.000 0.998 223 R CA 0.179 56.249 56.100 -0.050 0.000 0.900 223 R CB 1.456 31.708 30.300 -0.081 0.000 1.223 223 R HN 0.595 nan 8.270 nan 0.000 0.466 224 S N 1.078 116.352 115.700 -0.710 0.000 2.560 224 S HA 0.467 4.938 4.470 0.002 0.000 0.284 224 S C -0.212 174.051 174.600 -0.563 0.000 1.327 224 S CA -0.371 57.197 58.200 -1.052 0.000 1.055 224 S CB 1.175 63.704 63.200 -1.117 0.000 0.868 224 S HN 0.650 nan 8.310 nan 0.000 0.506 225 A N 2.326 124.844 122.820 -0.502 0.000 2.475 225 A HA 0.713 5.034 4.320 0.002 0.000 0.301 225 A C -1.120 176.203 177.584 -0.435 0.000 1.059 225 A CA -0.875 50.916 52.037 -0.409 0.000 0.710 225 A CB 1.454 20.261 19.000 -0.321 0.000 1.288 225 A HN 1.080 nan 8.150 nan 0.000 0.408 226 L N 2.924 123.878 121.223 -0.450 0.000 2.305 226 L HA 0.783 5.124 4.340 0.002 0.000 0.284 226 L C -0.384 176.187 176.870 -0.498 0.000 1.013 226 L CA -0.328 54.222 54.840 -0.483 0.000 0.819 226 L CB 1.493 43.236 42.059 -0.526 0.000 1.227 226 L HN 1.056 nan 8.230 nan 0.000 0.417 227 V N 2.726 122.298 119.914 -0.570 0.000 3.102 227 V HA 0.683 4.804 4.120 0.002 0.000 0.312 227 V C -0.564 175.241 176.094 -0.481 0.000 1.135 227 V CA -0.796 61.182 62.300 -0.537 0.000 1.022 227 V CB 2.082 33.530 31.823 -0.625 0.000 1.056 227 V HN 0.653 nan 8.190 nan 0.000 0.436 228 I N 1.827 122.220 120.570 -0.294 0.000 2.436 228 I HA 0.529 4.700 4.170 0.002 0.000 0.289 228 I C -0.497 175.577 176.117 -0.072 0.000 1.010 228 I CA -0.313 60.920 61.300 -0.112 0.000 1.098 228 I CB 1.893 39.919 38.000 0.044 0.000 1.266 228 I HN 0.815 nan 8.210 nan 0.000 0.434 229 Q N 4.455 124.259 119.800 0.007 0.000 2.333 229 Q HA 0.386 4.727 4.340 0.002 0.000 0.265 229 Q C -1.019 175.017 176.000 0.060 0.000 0.989 229 Q CA -0.615 55.218 55.803 0.050 0.000 0.842 229 Q CB 1.635 30.471 28.738 0.163 0.000 1.262 229 Q HN 0.600 nan 8.270 nan 0.000 0.451 230 T N 5.445 120.028 114.554 0.048 0.000 2.769 230 T HA 0.123 4.474 4.350 0.002 0.000 0.293 230 T C 1.449 176.192 174.700 0.072 0.000 0.931 230 T CA -0.041 62.090 62.100 0.051 0.000 1.139 230 T CB 0.348 69.239 68.868 0.038 0.000 0.881 230 T HN 0.628 nan 8.240 nan 0.000 0.532 231 L N 2.309 123.590 121.223 0.096 0.000 2.131 231 L HA -0.080 4.261 4.340 0.002 0.000 0.210 231 L C 2.728 179.665 176.870 0.112 0.000 1.092 231 L CA 1.122 56.054 54.840 0.153 0.000 0.759 231 L CB -0.529 41.675 42.059 0.242 0.000 0.903 231 L HN 0.739 nan 8.230 nan 0.000 0.435 232 A N 0.713 123.576 122.820 0.071 0.000 2.067 232 A HA -0.101 4.220 4.320 0.002 0.000 0.217 232 A C 1.694 179.289 177.584 0.018 0.000 1.156 232 A CA 1.445 53.499 52.037 0.028 0.000 0.683 232 A CB -0.282 18.734 19.000 0.027 0.000 0.808 232 A HN 0.635 nan 8.150 nan 0.000 0.455 233 N N -3.003 115.717 118.700 0.032 0.000 2.143 233 N HA 0.220 4.961 4.740 0.002 0.000 0.222 233 N C 0.917 176.447 175.510 0.034 0.000 1.264 233 N CA 0.974 54.038 53.050 0.024 0.000 0.897 233 N CB -0.142 38.356 38.487 0.018 0.000 1.092 233 N HN 0.650 nan 8.380 nan 0.000 0.516 234 G N -0.066 108.765 108.800 0.052 0.000 2.184 234 G HA2 -0.223 3.738 3.960 0.002 0.000 0.264 234 G HA3 -0.223 3.738 3.960 0.002 0.000 0.264 234 G C 0.379 175.307 174.900 0.047 0.000 0.975 234 G CA 0.305 45.442 45.100 0.062 0.000 0.642 234 G HN 0.868 nan 8.290 nan 0.000 0.536 235 A N -0.416 122.424 122.820 0.033 0.000 2.511 235 A HA 0.582 4.903 4.320 0.002 0.000 0.242 235 A C 0.435 178.022 177.584 0.005 0.000 1.069 235 A CA 0.758 52.804 52.037 0.016 0.000 0.763 235 A CB 0.804 19.811 19.000 0.011 0.000 1.001 235 A HN 1.205 nan 8.150 nan 0.000 0.498 236 V N 3.579 123.483 119.914 -0.018 0.000 2.448 236 V HA 0.505 4.626 4.120 0.002 0.000 0.295 236 V C 0.310 176.357 176.094 -0.078 0.000 1.025 236 V CA -0.607 61.657 62.300 -0.061 0.000 0.859 236 V CB 1.451 33.224 31.823 -0.083 0.000 0.988 236 V HN 0.982 nan 8.190 nan 0.000 0.431 237 R N 3.868 124.309 120.500 -0.098 0.000 2.338 237 R HA 0.438 4.779 4.340 0.002 0.000 0.317 237 R C -0.652 175.548 176.300 -0.166 0.000 0.968 237 R CA -0.658 55.380 56.100 -0.103 0.000 0.849 237 R CB 1.150 31.411 30.300 -0.064 0.000 1.128 237 R HN 0.640 nan 8.270 nan 0.000 0.448 238 Q N 3.450 123.147 119.800 -0.172 0.000 2.293 238 Q HA 0.081 4.422 4.340 0.002 0.000 0.263 238 Q C 0.591 176.443 176.000 -0.247 0.000 1.002 238 Q CA -0.054 55.612 55.803 -0.229 0.000 0.910 238 Q CB 1.796 30.407 28.738 -0.212 0.000 1.185 238 Q HN 0.563 nan 8.270 nan 0.000 0.401 239 V N 1.076 120.796 119.914 -0.323 0.000 2.436 239 V HA 0.232 4.353 4.120 0.002 0.000 0.240 239 V C 0.502 176.355 176.094 -0.401 0.000 1.040 239 V CA 1.368 63.447 62.300 -0.368 0.000 1.052 239 V CB 0.123 31.640 31.823 -0.510 0.000 0.707 239 V HN 0.801 nan 8.190 nan 0.000 0.469 240 A N -1.144 121.400 122.820 -0.460 0.000 2.540 240 A HA 0.697 5.018 4.320 0.002 0.000 0.297 240 A C -0.439 176.868 177.584 -0.462 0.000 1.056 240 A CA 0.076 51.837 52.037 -0.461 0.000 0.700 240 A CB 1.834 20.666 19.000 -0.280 0.000 1.280 240 A HN 0.008 nan 8.150 nan 0.000 0.398 241 S N 1.806 117.151 115.700 -0.593 0.000 2.539 241 S HA 0.511 4.982 4.470 0.002 0.000 0.185 241 S C -0.790 173.569 174.600 -0.402 0.000 1.181 241 S CA -0.329 57.618 58.200 -0.422 0.000 1.216 241 S CB -0.667 62.322 63.200 -0.352 0.000 1.476 241 S HN 0.489 nan 8.310 nan 0.000 0.395 242 F N 2.155 122.001 119.950 -0.173 0.000 2.390 242 F HA 0.444 4.972 4.527 0.002 0.000 0.307 242 F C -1.645 174.089 175.800 -0.109 0.000 1.227 242 F CA -1.920 56.001 58.000 -0.130 0.000 1.179 242 F CB -0.081 38.835 39.000 -0.139 0.000 1.280 242 F HN 0.206 nan 8.300 nan 0.000 0.548 243 P HA 0.097 nan 4.420 nan 0.000 0.269 243 P C -0.374 176.964 177.300 0.064 0.000 1.217 243 P CA 0.229 63.369 63.100 0.066 0.000 0.783 243 P CB 0.442 32.180 31.700 0.064 0.000 0.898 244 R N -1.572 118.961 120.500 0.054 0.000 3.895 244 R HA -0.270 4.071 4.340 0.002 0.000 0.431 244 R C 0.367 176.721 176.300 0.090 0.000 0.241 244 R CA 0.982 57.130 56.100 0.081 0.000 1.369 244 R CB -1.907 28.443 30.300 0.084 0.000 1.017 244 R HN 0.659 nan 8.270 nan 0.000 0.556 245 H N 2.066 121.140 119.070 0.007 0.000 2.467 245 H HA 0.421 4.978 4.556 0.002 0.000 0.331 245 H C -0.741 174.568 175.328 -0.031 0.000 1.120 245 H CA -0.341 55.697 56.048 -0.016 0.000 1.270 245 H CB 0.794 30.578 29.762 0.037 0.000 1.466 245 H HN 0.303 nan 8.280 nan 0.000 0.504 246 N N 3.379 121.675 118.700 -0.675 0.000 2.461 246 N HA 0.474 5.215 4.740 0.002 0.000 0.284 246 N C -0.887 174.204 175.510 -0.697 0.000 1.049 246 N CA -0.372 52.386 53.050 -0.487 0.000 0.889 246 N CB 2.200 40.466 38.487 -0.368 0.000 1.365 246 N HN 0.819 nan 8.380 nan 0.000 0.499 247 G N -0.186 108.393 108.800 -0.369 0.000 2.488 247 G HA2 0.544 4.505 3.960 0.002 0.000 0.301 247 G HA3 0.544 4.505 3.960 0.002 0.000 0.301 247 G C -0.999 173.936 174.900 0.059 0.000 1.339 247 G CA 0.039 45.020 45.100 -0.199 0.000 0.803 247 G HN 0.650 nan 8.290 nan 0.000 0.482 248 A N -0.293 122.590 122.820 0.105 0.000 2.667 248 A HA -0.012 4.309 4.320 0.002 0.000 0.298 248 A C -1.834 175.827 177.584 0.127 0.000 1.483 248 A CA 0.982 53.103 52.037 0.140 0.000 0.738 248 A CB -1.805 17.296 19.000 0.169 0.000 1.067 248 A HN 0.849 nan 8.150 nan 0.000 0.451 249 P HA 0.567 nan 4.420 nan 0.000 0.277 249 P C -0.283 177.089 177.300 0.120 0.000 1.240 249 P CA 0.504 63.650 63.100 0.075 0.000 0.798 249 P CB 1.601 33.267 31.700 -0.057 0.000 0.979 250 A N 2.262 125.174 122.820 0.153 0.000 2.480 250 A HA 0.563 4.884 4.320 0.002 0.000 0.289 250 A C -1.171 176.688 177.584 0.458 0.000 1.044 250 A CA -0.510 51.723 52.037 0.326 0.000 0.761 250 A CB 0.410 19.597 19.000 0.312 0.000 1.289 250 A HN 0.292 nan 8.150 nan 0.000 0.401 251 F N 2.181 122.352 119.950 0.368 0.000 2.399 251 F HA 0.422 4.950 4.527 0.001 0.000 0.342 251 F C 1.567 177.278 175.800 -0.148 0.000 1.106 251 F CA 0.653 58.768 58.000 0.192 0.000 1.196 251 F CB 1.540 40.606 39.000 0.110 0.000 1.163 251 F HN 0.653 nan 8.300 nan 0.000 0.547 252 S N 3.216 118.618 115.700 -0.498 0.000 2.579 252 S HA 0.165 4.636 4.470 0.002 0.000 0.275 252 S C -1.965 172.363 174.600 -0.452 0.000 1.345 252 S CA -1.095 56.315 58.200 -1.317 0.000 1.031 252 S CB 0.980 63.296 63.200 -1.474 0.000 0.892 252 S HN 0.390 nan 8.310 nan 0.000 0.529 253 P HA -0.082 nan 4.420 nan 0.000 0.222 253 P C 0.688 177.928 177.300 -0.100 0.000 1.147 253 P CA 1.264 64.293 63.100 -0.117 0.000 0.790 253 P CB -0.206 31.462 31.700 -0.054 0.000 0.780 254 D N -1.806 118.504 120.400 -0.150 0.000 2.340 254 D HA 0.079 4.720 4.640 0.002 0.000 0.220 254 D C 1.475 177.734 176.300 -0.068 0.000 1.039 254 D CA 0.550 54.495 54.000 -0.091 0.000 0.866 254 D CB -0.984 39.765 40.800 -0.086 0.000 0.913 254 D HN 0.186 nan 8.370 nan 0.000 0.523 255 G N 0.209 108.968 108.800 -0.068 0.000 2.184 255 G HA2 -0.373 3.588 3.960 0.002 0.000 0.264 255 G HA3 -0.373 3.588 3.960 0.002 0.000 0.264 255 G C 1.166 176.100 174.900 0.057 0.000 0.975 255 G CA 0.977 46.086 45.100 0.015 0.000 0.642 255 G HN 0.741 nan 8.290 nan 0.000 0.536 256 S N -1.244 114.449 115.700 -0.011 0.000 2.503 256 S HA 0.438 4.909 4.470 0.002 0.000 0.217 256 S C 0.797 175.422 174.600 0.040 0.000 0.999 256 S CA 1.123 59.331 58.200 0.014 0.000 0.914 256 S CB 0.526 63.718 63.200 -0.013 0.000 0.782 256 S HN 0.585 nan 8.310 nan 0.000 0.520 257 K N 0.027 120.435 120.400 0.013 0.000 2.443 257 K HA 0.674 4.995 4.320 0.002 0.000 0.251 257 K C -1.954 174.734 176.600 0.146 0.000 0.972 257 K CA -0.757 55.582 56.287 0.086 0.000 0.833 257 K CB 2.147 34.697 32.500 0.083 0.000 1.317 257 K HN 0.113 nan 8.250 nan 0.000 0.441 258 L N 1.592 122.935 121.223 0.200 0.000 2.376 258 L HA 0.639 4.980 4.340 0.002 0.000 0.275 258 L C -1.138 175.959 176.870 0.377 0.000 0.987 258 L CA -0.214 54.712 54.840 0.144 0.000 0.828 258 L CB 1.565 43.559 42.059 -0.108 0.000 1.249 258 L HN 0.817 nan 8.230 nan 0.000 0.409 259 A N 4.379 127.440 122.820 0.403 0.000 2.302 259 A HA 0.875 5.196 4.320 0.002 0.000 0.285 259 A C -0.844 176.839 177.584 0.165 0.000 1.105 259 A CA -0.147 51.934 52.037 0.074 0.000 0.816 259 A CB 0.344 19.181 19.000 -0.271 0.000 1.067 259 A HN 0.837 nan 8.150 nan 0.000 0.489 260 F N -2.292 117.640 119.950 -0.030 0.000 2.978 260 F HA 0.714 5.242 4.527 0.002 0.000 0.324 260 F C -0.462 175.351 175.800 0.020 0.000 1.157 260 F CA -0.770 57.214 58.000 -0.027 0.000 0.879 260 F CB 0.905 39.867 39.000 -0.063 0.000 1.364 260 F HN 0.845 nan 8.300 nan 0.000 0.465 261 A N 1.485 124.457 122.820 0.252 0.000 2.342 261 A HA 0.899 5.220 4.320 0.002 0.000 0.323 261 A C -1.609 176.092 177.584 0.195 0.000 1.125 261 A CA -0.816 51.334 52.037 0.188 0.000 0.785 261 A CB 1.323 20.419 19.000 0.161 0.000 1.221 261 A HN 0.793 nan 8.150 nan 0.000 0.463 262 L N 1.755 123.056 121.223 0.130 0.000 2.401 262 L HA 0.476 4.817 4.340 0.002 0.000 0.266 262 L C 0.839 177.754 176.870 0.075 0.000 0.991 262 L CA -0.493 54.331 54.840 -0.027 0.000 0.818 262 L CB 2.628 44.384 42.059 -0.504 0.000 1.321 262 L HN 0.852 nan 8.230 nan 0.000 0.413 263 S N -0.612 115.134 115.700 0.078 0.000 2.568 263 S HA 0.003 4.474 4.470 0.002 0.000 0.232 263 S C 1.267 175.892 174.600 0.042 0.000 0.975 263 S CA -0.425 57.825 58.200 0.082 0.000 0.949 263 S CB -0.070 63.198 63.200 0.113 0.000 0.829 263 S HN 0.764 nan 8.310 nan 0.000 0.479 264 K N 1.916 122.312 120.400 -0.006 0.000 2.218 264 K HA -0.180 4.141 4.320 0.002 0.000 0.205 264 K C 1.763 178.356 176.600 -0.011 0.000 1.046 264 K CA 2.006 58.280 56.287 -0.021 0.000 0.933 264 K CB -1.451 30.987 32.500 -0.104 0.000 0.728 264 K HN 0.508 nan 8.250 nan 0.000 0.454 265 T N -3.539 111.016 114.554 0.002 0.000 3.113 265 T HA 0.196 4.547 4.350 0.002 0.000 0.263 265 T C 1.539 176.244 174.700 0.008 0.000 1.143 265 T CA 0.610 62.713 62.100 0.006 0.000 1.090 265 T CB 0.073 68.951 68.868 0.016 0.000 0.922 265 T HN 0.575 nan 8.240 nan 0.000 0.521 266 G N 0.647 109.457 108.800 0.016 0.000 2.253 266 G HA2 -0.105 3.856 3.960 0.002 0.000 0.209 266 G HA3 -0.105 3.856 3.960 0.002 0.000 0.209 266 G C 0.219 175.130 174.900 0.017 0.000 0.997 266 G CA 0.144 45.253 45.100 0.015 0.000 0.640 266 G HN 1.504 nan 8.290 nan 0.000 0.496 267 S N -0.714 114.998 115.700 0.021 0.000 2.596 267 S HA 0.748 5.219 4.470 0.002 0.000 0.270 267 S C -0.486 174.138 174.600 0.040 0.000 1.155 267 S CA -0.922 57.291 58.200 0.022 0.000 0.827 267 S CB 1.779 64.982 63.200 0.004 0.000 1.130 267 S HN 0.801 nan 8.310 nan 0.000 0.467 268 L N 2.444 123.694 121.223 0.046 0.000 2.462 268 L HA 0.383 4.724 4.340 0.002 0.000 0.272 268 L C 0.256 177.151 176.870 0.042 0.000 1.166 268 L CA 0.059 54.943 54.840 0.074 0.000 0.880 268 L CB -0.038 42.067 42.059 0.076 0.000 1.142 268 L HN 0.619 nan 8.230 nan 0.000 0.473 269 N N 3.025 121.773 118.700 0.080 0.000 2.357 269 N HA 0.549 5.290 4.740 0.002 0.000 0.284 269 N C -1.009 174.468 175.510 -0.055 0.000 1.236 269 N CA -0.648 52.379 53.050 -0.039 0.000 0.774 269 N CB 2.388 40.819 38.487 -0.092 0.000 1.534 269 N HN 0.321 nan 8.380 nan 0.000 0.478 270 L N 1.686 122.709 121.223 -0.333 0.000 2.350 270 L HA 0.439 4.780 4.340 0.002 0.000 0.275 270 L C -0.877 175.639 176.870 -0.589 0.000 1.099 270 L CA -0.336 54.274 54.840 -0.384 0.000 0.808 270 L CB 0.277 41.995 42.059 -0.568 0.000 1.149 270 L HN 0.433 nan 8.230 nan 0.000 0.442 271 Y N 0.862 120.812 120.300 -0.582 0.000 2.581 271 Y HA 0.631 5.182 4.550 0.002 0.000 0.345 271 Y C -0.207 175.220 175.900 -0.789 0.000 1.036 271 Y CA -1.116 56.588 58.100 -0.660 0.000 1.042 271 Y CB 2.254 40.235 38.460 -0.798 0.000 1.289 271 Y HN 0.253 nan 8.280 nan 0.000 0.471 272 V N 0.092 119.811 119.914 -0.325 0.000 2.709 272 V HA 0.642 4.763 4.120 0.002 0.000 0.308 272 V C -0.789 175.335 176.094 0.050 0.000 1.062 272 V CA -1.066 61.148 62.300 -0.144 0.000 0.901 272 V CB 1.914 33.758 31.823 0.034 0.000 1.003 272 V HN 0.865 nan 8.190 nan 0.000 0.425 273 M N 3.642 123.389 119.600 0.246 0.000 2.180 273 M HA 0.447 4.928 4.480 0.002 0.000 0.350 273 M C -0.504 175.900 176.300 0.175 0.000 1.125 273 M CA -0.351 55.108 55.300 0.264 0.000 1.031 273 M CB 1.284 34.096 32.600 0.353 0.000 1.623 273 M HN 1.015 nan 8.290 nan 0.000 0.451 274 D N 5.182 125.658 120.400 0.127 0.000 2.342 274 D HA 0.079 4.720 4.640 0.002 0.000 0.260 274 D C 0.857 177.210 176.300 0.087 0.000 1.278 274 D CA 0.125 54.183 54.000 0.095 0.000 0.910 274 D CB 0.686 41.529 40.800 0.073 0.000 1.079 274 D HN 0.784 nan 8.370 nan 0.000 0.496 275 L N 3.776 125.053 121.223 0.090 0.000 2.083 275 L HA -0.187 4.154 4.340 0.002 0.000 0.209 275 L C 2.562 179.471 176.870 0.064 0.000 1.083 275 L CA 1.231 56.124 54.840 0.087 0.000 0.752 275 L CB -0.297 41.837 42.059 0.125 0.000 0.899 275 L HN 0.470 nan 8.230 nan 0.000 0.433 276 A N 0.110 122.963 122.820 0.055 0.000 1.865 276 A HA -0.232 4.089 4.320 0.002 0.000 0.217 276 A C 2.491 180.096 177.584 0.035 0.000 1.191 276 A CA 2.341 54.403 52.037 0.041 0.000 0.623 276 A CB -0.655 18.366 19.000 0.034 0.000 0.826 276 A HN 0.515 nan 8.150 nan 0.000 0.444 277 S N -2.802 112.922 115.700 0.039 0.000 2.486 277 S HA 0.384 4.855 4.470 0.002 0.000 0.220 277 S C 1.598 176.219 174.600 0.036 0.000 1.011 277 S CA 1.169 59.389 58.200 0.034 0.000 0.921 277 S CB -0.028 63.193 63.200 0.036 0.000 0.785 277 S HN 1.973 nan 8.310 nan 0.000 0.517 278 G N 0.977 109.805 108.800 0.045 0.000 2.184 278 G HA2 -0.294 3.667 3.960 0.002 0.000 0.264 278 G HA3 -0.294 3.667 3.960 0.002 0.000 0.264 278 G C -0.075 174.868 174.900 0.071 0.000 0.975 278 G CA 0.263 45.392 45.100 0.048 0.000 0.642 278 G HN 0.621 nan 8.290 nan 0.000 0.536 279 Q N -0.147 119.696 119.800 0.071 0.000 2.286 279 Q HA 0.448 4.789 4.340 0.002 0.000 0.290 279 Q C 0.416 176.484 176.000 0.114 0.000 1.049 279 Q CA 0.464 56.315 55.803 0.081 0.000 0.923 279 Q CB 0.705 29.480 28.738 0.062 0.000 1.183 279 Q HN 0.545 nan 8.270 nan 0.000 0.383 280 I N 4.099 124.749 120.570 0.134 0.000 2.378 280 I HA 0.352 4.523 4.170 0.002 0.000 0.291 280 I C -0.123 176.062 176.117 0.113 0.000 0.992 280 I CA -0.759 60.643 61.300 0.171 0.000 1.154 280 I CB 0.932 39.087 38.000 0.259 0.000 1.315 280 I HN 0.449 nan 8.210 nan 0.000 0.448 281 R N 5.298 125.835 120.500 0.063 0.000 2.664 281 R HA 0.436 4.777 4.340 0.002 0.000 0.286 281 R C -0.768 175.471 176.300 -0.101 0.000 0.967 281 R CA -0.872 55.225 56.100 -0.005 0.000 0.933 281 R CB 1.590 31.869 30.300 -0.036 0.000 1.146 281 R HN 0.592 nan 8.270 nan 0.000 0.468 282 Q N 1.290 120.959 119.800 -0.219 0.000 2.256 282 Q HA 0.226 4.567 4.340 0.002 0.000 0.254 282 Q C -0.230 175.475 176.000 -0.491 0.000 0.916 282 Q CA -0.338 55.095 55.803 -0.616 0.000 0.932 282 Q CB 1.551 29.919 28.738 -0.617 0.000 1.207 282 Q HN 0.520 nan 8.270 nan 0.000 0.426 283 V N 2.482 122.045 119.914 -0.586 0.000 3.085 283 V HA 0.066 4.187 4.120 0.002 0.000 0.245 283 V C 0.645 176.501 176.094 -0.396 0.000 1.114 283 V CA 1.325 63.378 62.300 -0.411 0.000 1.108 283 V CB 0.803 32.386 31.823 -0.401 0.000 0.798 283 V HN 0.961 nan 8.190 nan 0.000 0.471 284 T N -2.759 111.507 114.554 -0.481 0.000 2.907 284 T HA 0.582 4.933 4.350 0.002 0.000 0.292 284 T C -0.631 173.871 174.700 -0.329 0.000 1.043 284 T CA -0.403 61.482 62.100 -0.359 0.000 1.003 284 T CB 2.545 71.184 68.868 -0.380 0.000 1.084 284 T HN 0.049 nan 8.240 nan 0.000 0.483 285 D N 0.685 120.955 120.400 -0.216 0.000 2.819 285 D HA 0.318 4.960 4.640 0.002 0.000 0.326 285 D C 0.859 177.095 176.300 -0.108 0.000 1.408 285 D CA -0.323 53.576 54.000 -0.168 0.000 0.811 285 D CB -0.164 40.547 40.800 -0.148 0.000 1.148 285 D HN 0.905 nan 8.370 nan 0.000 0.457 286 G N -0.054 108.685 108.800 -0.102 0.000 2.572 286 G HA2 0.135 4.096 3.960 0.002 0.000 0.261 286 G HA3 0.135 4.096 3.960 0.002 0.000 0.261 286 G C 0.808 175.676 174.900 -0.053 0.000 1.197 286 G CA -0.559 44.498 45.100 -0.070 0.000 0.870 286 G HN 0.229 nan 8.290 nan 0.000 0.548 287 R N -0.239 120.237 120.500 -0.039 0.000 2.276 287 R HA 0.036 4.377 4.340 0.002 0.000 0.203 287 R C 1.762 178.046 176.300 -0.027 0.000 1.017 287 R CA 0.634 56.718 56.100 -0.027 0.000 1.010 287 R CB -0.047 30.241 30.300 -0.020 0.000 0.900 287 R HN 0.590 nan 8.270 nan 0.000 0.469 288 S N 0.657 116.334 115.700 -0.038 0.000 2.617 288 S HA 0.105 4.576 4.470 0.002 0.000 0.259 288 S C 0.127 174.709 174.600 -0.031 0.000 1.301 288 S CA -0.801 57.374 58.200 -0.041 0.000 0.984 288 S CB 0.710 63.868 63.200 -0.070 0.000 0.954 288 S HN 0.063 nan 8.310 nan 0.000 0.572 289 N N 2.394 121.081 118.700 -0.022 0.000 2.434 289 N HA 0.289 5.030 4.740 0.002 0.000 0.272 289 N C -1.078 174.441 175.510 0.015 0.000 1.040 289 N CA -0.240 52.809 53.050 -0.001 0.000 0.956 289 N CB 0.440 38.931 38.487 0.007 0.000 1.108 289 N HN 0.579 nan 8.380 nan 0.000 0.481 290 N N 1.031 119.750 118.700 0.031 0.000 2.448 290 N HA 0.337 5.078 4.740 0.002 0.000 0.279 290 N C -0.465 175.087 175.510 0.069 0.000 1.025 290 N CA -0.247 52.858 53.050 0.093 0.000 0.898 290 N CB 2.547 41.028 38.487 -0.010 0.000 1.303 290 N HN 0.451 nan 8.380 nan 0.000 0.495 291 T N -0.433 114.212 114.554 0.151 0.000 2.637 291 T HA 0.202 4.553 4.350 0.002 0.000 0.303 291 T C -1.244 173.547 174.700 0.152 0.000 1.288 291 T CA -0.259 61.911 62.100 0.116 0.000 1.040 291 T CB 0.418 69.358 68.868 0.120 0.000 1.644 291 T HN 0.607 nan 8.240 nan 0.000 0.480 292 E N 0.865 121.145 120.200 0.132 0.000 2.297 292 E HA -0.115 4.236 4.350 0.002 0.000 0.228 292 E C -2.528 174.144 176.600 0.120 0.000 1.213 292 E CA 0.279 56.758 56.400 0.131 0.000 0.712 292 E CB -1.100 28.675 29.700 0.126 0.000 1.202 292 E HN 0.403 nan 8.360 nan 0.000 0.376 293 P HA 0.064 nan 4.420 nan 0.000 0.275 293 P C -0.233 177.052 177.300 -0.025 0.000 1.228 293 P CA 0.189 63.286 63.100 -0.006 0.000 0.786 293 P CB 1.727 33.323 31.700 -0.173 0.000 0.927 294 T N 1.759 116.279 114.554 -0.057 0.000 2.933 294 T HA 0.504 4.855 4.350 0.002 0.000 0.305 294 T C -1.716 172.956 174.700 -0.045 0.000 1.092 294 T CA -0.552 61.540 62.100 -0.014 0.000 1.008 294 T CB 0.445 69.319 68.868 0.010 0.000 1.102 294 T HN 0.228 nan 8.240 nan 0.000 0.469 295 W N 3.429 124.753 121.300 0.039 0.000 2.376 295 W HA 0.644 5.305 4.660 0.001 0.000 0.322 295 W C -0.111 176.400 176.519 -0.013 0.000 1.160 295 W CA -0.892 56.503 57.345 0.083 0.000 1.218 295 W CB 0.604 30.128 29.460 0.107 0.000 1.205 295 W HN 0.523 nan 8.180 nan 0.000 0.559 296 F N 2.980 123.117 119.950 0.312 0.000 2.403 296 F HA 0.165 4.693 4.527 0.002 0.000 0.320 296 F C -0.928 174.982 175.800 0.184 0.000 1.176 296 F CA -1.789 56.324 58.000 0.188 0.000 1.206 296 F CB -0.054 39.033 39.000 0.145 0.000 1.235 296 F HN 0.201 nan 8.300 nan 0.000 0.565 297 P HA -0.134 nan 4.420 nan 0.000 0.225 297 P C 0.585 177.969 177.300 0.140 0.000 1.148 297 P CA 1.192 64.383 63.100 0.153 0.000 0.779 297 P CB -0.047 31.722 31.700 0.114 0.000 0.780 298 D N -2.082 118.435 120.400 0.195 0.000 2.349 298 D HA -0.014 4.627 4.640 0.002 0.000 0.224 298 D C 0.316 176.684 176.300 0.113 0.000 1.029 298 D CA 0.233 54.313 54.000 0.133 0.000 0.879 298 D CB -0.907 39.965 40.800 0.122 0.000 0.906 298 D HN -0.157 nan 8.370 nan 0.000 0.528 299 S N -0.759 115.017 115.700 0.127 0.000 3.473 299 S HA -0.211 4.260 4.470 0.002 0.000 0.339 299 S C 0.853 175.577 174.600 0.207 0.000 1.148 299 S CA 1.109 59.282 58.200 -0.045 0.000 0.969 299 S CB -1.133 61.925 63.200 -0.235 0.000 0.936 299 S HN 0.549 nan 8.310 nan 0.000 0.530 300 Q N -0.828 119.204 119.800 0.387 0.000 2.279 300 Q HA 0.225 4.566 4.340 0.002 0.000 0.261 300 Q C 0.045 176.228 176.000 0.305 0.000 0.796 300 Q CA 0.025 56.026 55.803 0.329 0.000 0.971 300 Q CB 0.341 29.171 28.738 0.152 0.000 1.179 300 Q HN 0.504 nan 8.270 nan 0.000 0.505 301 N N 1.181 120.067 118.700 0.311 0.000 2.399 301 N HA 0.461 5.202 4.740 0.002 0.000 0.295 301 N C -0.910 174.798 175.510 0.329 0.000 1.048 301 N CA -0.138 53.007 53.050 0.159 0.000 0.886 301 N CB 1.914 40.301 38.487 -0.166 0.000 1.185 301 N HN 0.015 nan 8.380 nan 0.000 0.487 302 L N 1.551 122.865 121.223 0.151 0.000 2.329 302 L HA 0.619 4.960 4.340 0.002 0.000 0.279 302 L C 0.373 177.492 176.870 0.415 0.000 1.014 302 L CA -0.825 54.081 54.840 0.110 0.000 0.814 302 L CB 1.728 43.629 42.059 -0.264 0.000 1.257 302 L HN 0.446 nan 8.230 nan 0.000 0.424 303 A N 3.130 126.180 122.820 0.383 0.000 2.279 303 A HA 0.911 5.232 4.320 0.002 0.000 0.303 303 A C -0.828 176.938 177.584 0.303 0.000 1.108 303 A CA -0.211 52.016 52.037 0.317 0.000 0.830 303 A CB 0.855 19.931 19.000 0.127 0.000 1.106 303 A HN 0.645 nan 8.150 nan 0.000 0.493 304 F N -2.288 117.685 119.950 0.039 0.000 2.799 304 F HA 0.572 5.100 4.527 0.002 0.000 0.316 304 F C -0.691 175.132 175.800 0.039 0.000 1.155 304 F CA -0.757 57.247 58.000 0.006 0.000 0.916 304 F CB 0.710 39.685 39.000 -0.042 0.000 1.294 304 F HN 0.382 nan 8.300 nan 0.000 0.447 305 T N 1.943 116.581 114.554 0.141 0.000 2.771 305 T HA 0.553 4.904 4.350 0.002 0.000 0.291 305 T C -0.594 174.140 174.700 0.057 0.000 0.954 305 T CA -0.323 61.797 62.100 0.033 0.000 1.045 305 T CB 1.087 69.997 68.868 0.069 0.000 0.917 305 T HN 0.783 nan 8.240 nan 0.000 0.484 306 S N 1.299 116.938 115.700 -0.102 0.000 2.548 306 S HA 0.429 4.900 4.470 0.002 0.000 0.286 306 S C -0.360 174.173 174.600 -0.112 0.000 1.098 306 S CA -0.905 57.197 58.200 -0.164 0.000 0.930 306 S CB 1.144 63.970 63.200 -0.623 0.000 1.070 306 S HN 0.776 nan 8.310 nan 0.000 0.480 307 D N 2.221 122.571 120.400 -0.083 0.000 2.427 307 D HA 0.097 4.738 4.640 0.002 0.000 0.224 307 D C 1.048 177.314 176.300 -0.058 0.000 1.157 307 D CA -0.093 53.879 54.000 -0.046 0.000 0.828 307 D CB 0.022 40.808 40.800 -0.023 0.000 0.974 307 D HN 0.567 nan 8.370 nan 0.000 0.498 308 Q N 0.150 119.871 119.800 -0.132 0.000 2.226 308 Q HA -0.086 4.255 4.340 0.002 0.000 0.204 308 Q C 1.417 177.414 176.000 -0.004 0.000 0.975 308 Q CA 1.423 57.168 55.803 -0.097 0.000 0.866 308 Q CB 0.028 28.646 28.738 -0.201 0.000 0.915 308 Q HN 0.434 nan 8.270 nan 0.000 0.440 309 A N -0.981 121.866 122.820 0.046 0.000 2.308 309 A HA 0.435 4.756 4.320 0.002 0.000 0.217 309 A C 0.908 178.512 177.584 0.032 0.000 1.216 309 A CA 0.819 52.893 52.037 0.062 0.000 0.864 309 A CB 0.189 19.235 19.000 0.078 0.000 0.902 309 A HN 0.536 nan 8.150 nan 0.000 0.499 310 G N -0.228 108.581 108.800 0.016 0.000 2.731 310 G HA2 -0.139 3.822 3.960 0.002 0.000 0.218 310 G HA3 -0.139 3.822 3.960 0.002 0.000 0.218 310 G C -0.096 174.805 174.900 0.002 0.000 1.349 310 G CA -0.407 44.698 45.100 0.009 0.000 1.225 310 G HN 0.498 nan 8.290 nan 0.000 0.526 311 R N 1.974 122.474 120.500 0.001 0.000 2.643 311 R HA 0.408 4.749 4.340 0.002 0.000 0.270 311 R C -2.245 174.050 176.300 -0.008 0.000 1.061 311 R CA -0.874 55.223 56.100 -0.006 0.000 1.107 311 R CB 0.178 30.473 30.300 -0.008 0.000 0.999 311 R HN 0.235 nan 8.270 nan 0.000 0.460 312 P HA -0.097 nan 4.420 nan 0.000 0.265 312 P C -0.730 176.558 177.300 -0.020 0.000 1.187 312 P CA 0.632 63.726 63.100 -0.010 0.000 0.766 312 P CB 0.665 32.358 31.700 -0.011 0.000 0.820 313 Q N 0.465 120.262 119.800 -0.005 0.000 2.565 313 Q HA 0.480 4.821 4.340 0.002 0.000 0.294 313 Q C -1.164 174.804 176.000 -0.054 0.000 1.005 313 Q CA -0.924 54.834 55.803 -0.075 0.000 0.771 313 Q CB 1.816 30.448 28.738 -0.177 0.000 1.486 313 Q HN 0.069 nan 8.270 nan 0.000 0.422 314 V N 1.341 121.145 119.914 -0.183 0.000 2.472 314 V HA 0.466 4.587 4.120 0.002 0.000 0.290 314 V C -1.059 174.829 176.094 -0.342 0.000 1.037 314 V CA -0.301 61.884 62.300 -0.191 0.000 0.908 314 V CB 0.694 32.430 31.823 -0.145 0.000 0.985 314 V HN 0.574 nan 8.190 nan 0.000 0.454 315 Y N 2.513 122.430 120.300 -0.639 0.000 2.633 315 Y HA 0.663 5.214 4.550 0.002 0.000 0.339 315 Y C 0.034 175.641 175.900 -0.489 0.000 1.045 315 Y CA -1.117 56.577 58.100 -0.677 0.000 1.098 315 Y CB 2.041 39.860 38.460 -1.068 0.000 1.296 315 Y HN 0.469 nan 8.280 nan 0.000 0.494 316 K N 1.178 121.601 120.400 0.038 0.000 2.464 316 K HA 0.802 5.123 4.320 0.002 0.000 0.253 316 K C -2.312 174.459 176.600 0.285 0.000 0.933 316 K CA -0.708 55.709 56.287 0.217 0.000 0.801 316 K CB 2.512 35.083 32.500 0.118 0.000 1.271 316 K HN 0.530 nan 8.250 nan 0.000 0.430 317 V N 2.679 122.759 119.914 0.276 0.000 3.048 317 V HA 0.353 4.474 4.120 0.002 0.000 0.303 317 V C -1.635 174.478 176.094 0.031 0.000 1.214 317 V CA -0.899 61.492 62.300 0.152 0.000 0.984 317 V CB 2.281 34.193 31.823 0.149 0.000 1.054 317 V HN 0.973 nan 8.190 nan 0.000 0.430 318 N N 3.201 121.900 118.700 -0.003 0.000 2.455 318 N HA 0.381 5.122 4.740 0.002 0.000 0.280 318 N C 1.300 176.793 175.510 -0.028 0.000 1.055 318 N CA -0.199 52.845 53.050 -0.010 0.000 0.961 318 N CB 1.333 39.814 38.487 -0.010 0.000 1.121 318 N HN 0.730 nan 8.380 nan 0.000 0.476 319 I N 0.549 121.112 120.570 -0.012 0.000 2.700 319 I HA -0.101 4.070 4.170 0.002 0.000 0.261 319 I C 0.593 176.691 176.117 -0.031 0.000 1.219 319 I CA 0.935 62.209 61.300 -0.043 0.000 1.463 319 I CB -0.203 37.816 38.000 0.031 0.000 1.092 319 I HN 0.485 nan 8.210 nan 0.000 0.452 320 N N 1.531 120.227 118.700 -0.006 0.000 2.424 320 N HA 0.216 4.957 4.740 0.002 0.000 0.178 320 N C 0.770 176.267 175.510 -0.023 0.000 1.060 320 N CA 1.016 54.062 53.050 -0.006 0.000 0.901 320 N CB 0.906 39.399 38.487 0.010 0.000 0.979 320 N HN 0.616 nan 8.380 nan 0.000 0.451 321 G N -1.395 107.387 108.800 -0.030 0.000 2.358 321 G HA2 0.439 4.400 3.960 0.002 0.000 0.303 321 G HA3 0.439 4.400 3.960 0.002 0.000 0.303 321 G C -0.891 173.994 174.900 -0.024 0.000 1.537 321 G CA -0.161 44.919 45.100 -0.033 0.000 0.928 321 G HN 0.364 nan 8.290 nan 0.000 0.656 322 G N -1.370 107.417 108.800 -0.022 0.000 2.428 322 G HA2 0.599 4.560 3.960 0.002 0.000 0.681 322 G HA3 0.599 4.560 3.960 0.002 0.000 0.681 322 G C -0.095 174.808 174.900 0.005 0.000 1.340 322 G CA 0.511 45.608 45.100 -0.004 0.000 0.915 322 G HN 2.369 nan 8.290 nan 0.000 0.645 323 A N 1.564 124.399 122.820 0.025 0.000 2.327 323 A HA 0.858 5.180 4.320 0.002 0.000 0.283 323 A C -1.503 176.139 177.584 0.096 0.000 1.127 323 A CA -0.994 51.070 52.037 0.046 0.000 0.810 323 A CB 0.044 19.074 19.000 0.050 0.000 1.066 323 A HN 0.640 nan 8.150 nan 0.000 0.492 324 P HA 0.197 nan 4.420 nan 0.000 0.268 324 P C -0.735 176.734 177.300 0.282 0.000 1.208 324 P CA 0.152 63.418 63.100 0.276 0.000 0.777 324 P CB 0.372 32.313 31.700 0.402 0.000 0.875 325 Q N 0.533 120.481 119.800 0.246 0.000 2.356 325 Q HA 0.463 4.804 4.340 0.002 0.000 0.270 325 Q C -0.557 175.335 176.000 -0.180 0.000 1.058 325 Q CA -1.215 54.659 55.803 0.120 0.000 0.802 325 Q CB 1.958 30.751 28.738 0.092 0.000 1.303 325 Q HN 0.224 nan 8.270 nan 0.000 0.444 326 R N 2.652 122.781 120.500 -0.618 0.000 2.522 326 R HA 0.105 4.446 4.340 0.002 0.000 0.284 326 R C 0.482 176.321 176.300 -0.769 0.000 1.032 326 R CA 0.420 55.675 56.100 -1.408 0.000 1.049 326 R CB 0.331 29.613 30.300 -1.698 0.000 0.956 326 R HN 0.947 nan 8.270 nan 0.000 0.422 327 I N -0.470 119.672 120.570 -0.713 0.000 4.327 327 I HA 0.203 4.374 4.170 0.002 0.000 0.331 327 I C -0.155 175.748 176.117 -0.357 0.000 1.348 327 I CA -0.565 60.541 61.300 -0.323 0.000 1.152 327 I CB 0.966 38.920 38.000 -0.077 0.000 1.151 327 I HN 0.401 nan 8.210 nan 0.000 0.410 328 T N -2.548 111.652 114.554 -0.591 0.000 2.770 328 T HA 0.382 4.734 4.350 0.002 0.000 0.297 328 T C -0.678 173.734 174.700 -0.481 0.000 0.997 328 T CA -0.391 61.491 62.100 -0.365 0.000 0.949 328 T CB 0.452 69.170 68.868 -0.250 0.000 0.941 328 T HN 0.432 nan 8.240 nan 0.000 0.457 329 W N 1.315 122.569 121.300 -0.077 0.000 2.870 329 W HA 0.317 4.978 4.660 0.001 0.000 0.358 329 W C 0.471 176.965 176.519 -0.040 0.000 1.043 329 W CA -0.717 56.588 57.345 -0.067 0.000 1.692 329 W CB 0.683 30.106 29.460 -0.062 0.000 1.100 329 W HN 0.561 nan 8.180 nan 0.000 0.557 330 E N 0.678 120.952 120.200 0.124 0.000 2.145 330 E HA 0.546 4.897 4.350 0.002 0.000 0.270 330 E C 0.301 176.922 176.600 0.036 0.000 0.906 330 E CA -0.438 56.011 56.400 0.082 0.000 0.761 330 E CB 1.448 31.191 29.700 0.072 0.000 1.116 330 E HN 0.024 nan 8.360 nan 0.000 0.408 331 G N 1.316 110.137 108.800 0.035 0.000 2.650 331 G HA2 -0.226 3.735 3.960 0.002 0.000 0.686 331 G HA3 -0.226 3.735 3.960 0.002 0.000 0.686 331 G C 0.488 175.391 174.900 0.006 0.000 1.205 331 G CA -0.219 44.891 45.100 0.017 0.000 0.781 331 G HN 0.564 nan 8.290 nan 0.000 0.648 332 S N -0.536 115.166 115.700 0.004 0.000 2.496 332 S HA 0.266 4.737 4.470 0.002 0.000 0.224 332 S C 0.776 175.368 174.600 -0.014 0.000 0.996 332 S CA 1.706 59.906 58.200 0.000 0.000 0.927 332 S CB 0.375 63.578 63.200 0.005 0.000 0.774 332 S HN 1.187 nan 8.310 nan 0.000 0.524 333 Q N 0.301 120.088 119.800 -0.022 0.000 2.313 333 Q HA 0.442 4.783 4.340 0.002 0.000 0.260 333 Q C -2.137 173.841 176.000 -0.037 0.000 0.972 333 Q CA -0.558 55.227 55.803 -0.031 0.000 0.886 333 Q CB 1.198 29.921 28.738 -0.026 0.000 1.373 333 Q HN 0.334 nan 8.270 nan 0.000 0.416 334 N N 2.941 121.613 118.700 -0.047 0.000 2.277 334 N HA 0.433 5.174 4.740 0.002 0.000 0.286 334 N C -1.618 173.867 175.510 -0.041 0.000 1.140 334 N CA -0.360 52.663 53.050 -0.046 0.000 0.799 334 N CB 2.443 40.892 38.487 -0.064 0.000 1.596 334 N HN 0.745 nan 8.380 nan 0.000 0.473 335 Q N -0.655 119.130 119.800 -0.026 0.000 2.874 335 Q HA 0.257 4.598 4.340 0.002 0.000 0.303 335 Q C -1.711 174.294 176.000 0.008 0.000 0.876 335 Q CA -0.585 55.212 55.803 -0.011 0.000 0.765 335 Q CB 1.117 29.853 28.738 -0.004 0.000 1.478 335 Q HN 0.357 nan 8.270 nan 0.000 0.434 336 D N -0.743 119.675 120.400 0.031 0.000 2.760 336 D HA -0.147 4.494 4.640 0.002 0.000 0.244 336 D C -1.071 175.261 176.300 0.053 0.000 1.123 336 D CA 1.278 55.312 54.000 0.057 0.000 0.719 336 D CB -0.973 39.861 40.800 0.057 0.000 1.045 336 D HN 0.891 nan 8.370 nan 0.000 0.426 337 A N 1.080 123.924 122.820 0.040 0.000 2.264 337 A HA 0.605 4.926 4.320 0.002 0.000 0.304 337 A C -0.013 177.587 177.584 0.027 0.000 1.100 337 A CA -0.222 51.828 52.037 0.021 0.000 0.839 337 A CB 1.153 20.145 19.000 -0.013 0.000 1.121 337 A HN 0.314 nan 8.150 nan 0.000 0.496 338 D N 0.148 120.550 120.400 0.004 0.000 2.686 338 D HA 0.437 5.078 4.640 0.002 0.000 0.249 338 D C -1.155 175.078 176.300 -0.112 0.000 1.260 338 D CA -0.147 53.848 54.000 -0.008 0.000 0.910 338 D CB 1.644 42.477 40.800 0.056 0.000 1.323 338 D HN 0.232 nan 8.370 nan 0.000 0.561 339 V N 3.282 123.077 119.914 -0.199 0.000 2.583 339 V HA 0.333 4.454 4.120 0.002 0.000 0.287 339 V C 0.946 176.823 176.094 -0.362 0.000 1.051 339 V CA -0.559 61.523 62.300 -0.364 0.000 1.010 339 V CB 1.184 32.638 31.823 -0.615 0.000 0.988 339 V HN 0.734 nan 8.190 nan 0.000 0.478 340 S N 3.302 118.654 115.700 -0.579 0.000 2.589 340 S HA 0.060 4.531 4.470 0.002 0.000 0.265 340 S C 1.461 175.866 174.600 -0.325 0.000 1.342 340 S CA 0.065 57.911 58.200 -0.591 0.000 1.005 340 S CB 0.947 63.432 63.200 -1.191 0.000 0.909 340 S HN 1.042 nan 8.310 nan 0.000 0.555 341 S N 0.214 115.779 115.700 -0.226 0.000 2.423 341 S HA -0.154 4.317 4.470 0.002 0.000 0.231 341 S C 1.093 175.653 174.600 -0.066 0.000 1.014 341 S CA 0.961 59.090 58.200 -0.118 0.000 0.965 341 S CB -0.801 62.331 63.200 -0.114 0.000 0.785 341 S HN 0.929 nan 8.310 nan 0.000 0.495 342 D N 0.392 120.744 120.400 -0.080 0.000 2.339 342 D HA 0.245 4.886 4.640 0.002 0.000 0.217 342 D C 1.446 177.738 176.300 -0.012 0.000 1.050 342 D CA 0.557 54.547 54.000 -0.016 0.000 0.856 342 D CB -0.673 40.142 40.800 0.025 0.000 0.922 342 D HN 0.530 nan 8.370 nan 0.000 0.518 343 G N 0.900 109.652 108.800 -0.080 0.000 2.189 343 G HA2 -0.410 3.551 3.960 0.002 0.000 0.267 343 G HA3 -0.410 3.551 3.960 0.002 0.000 0.267 343 G C 1.072 175.970 174.900 -0.002 0.000 0.975 343 G CA 0.691 45.777 45.100 -0.023 0.000 0.644 343 G HN 0.491 nan 8.290 nan 0.000 0.537 344 K N -0.813 119.576 120.400 -0.018 0.000 2.365 344 K HA 0.361 4.682 4.320 0.002 0.000 0.197 344 K C 0.745 177.461 176.600 0.192 0.000 1.042 344 K CA 1.108 57.466 56.287 0.118 0.000 0.987 344 K CB 0.167 32.781 32.500 0.189 0.000 0.779 344 K HN 0.798 nan 8.250 nan 0.000 0.484 345 F N -0.328 119.625 119.950 0.005 0.000 2.711 345 F HA 0.501 5.029 4.527 0.003 0.000 0.313 345 F C -1.191 174.583 175.800 -0.043 0.000 1.141 345 F CA -1.726 56.270 58.000 -0.007 0.000 0.941 345 F CB 0.974 39.971 39.000 -0.005 0.000 1.349 345 F HN -0.246 nan 8.300 nan 0.000 0.464 346 M N 2.199 121.847 119.600 0.081 0.000 2.658 346 M HA 0.882 5.363 4.480 0.002 0.000 0.295 346 M C -1.517 174.887 176.300 0.175 0.000 1.248 346 M CA -1.108 54.169 55.300 -0.037 0.000 0.843 346 M CB 2.379 34.922 32.600 -0.094 0.000 1.749 346 M HN 0.891 nan 8.290 nan 0.000 0.464 347 V N 0.154 120.137 119.914 0.115 0.000 2.994 347 V HA 0.915 5.036 4.120 0.002 0.000 0.318 347 V C -0.398 175.728 176.094 0.052 0.000 1.085 347 V CA -0.687 61.682 62.300 0.115 0.000 0.998 347 V CB 1.763 33.670 31.823 0.140 0.000 1.063 347 V HN 1.208 nan 8.190 nan 0.000 0.447 348 M N 1.027 120.645 119.600 0.030 0.000 3.147 348 M HA 0.725 5.206 4.480 0.002 0.000 0.276 348 M C -2.061 174.236 176.300 -0.006 0.000 1.211 348 M CA -0.819 54.489 55.300 0.013 0.000 0.820 348 M CB 1.816 34.417 32.600 0.002 0.000 1.621 348 M HN 0.366 nan 8.290 nan 0.000 0.507 349 V N 1.992 121.901 119.914 -0.009 0.000 2.347 349 V HA 0.566 4.687 4.120 0.002 0.000 0.280 349 V C -0.485 175.593 176.094 -0.026 0.000 1.021 349 V CA -0.246 62.039 62.300 -0.024 0.000 0.847 349 V CB 1.382 33.192 31.823 -0.022 0.000 0.990 349 V HN 0.817 nan 8.190 nan 0.000 0.444 350 S N 3.239 118.925 115.700 -0.024 0.000 2.473 350 S HA 0.594 5.065 4.470 0.002 0.000 0.307 350 S C -0.200 174.378 174.600 -0.036 0.000 1.094 350 S CA -0.576 57.612 58.200 -0.020 0.000 1.070 350 S CB 1.659 64.861 63.200 0.003 0.000 1.019 350 S HN 0.688 nan 8.310 nan 0.000 0.480 351 S N 3.809 119.484 115.700 -0.042 0.000 2.596 351 S HA 0.532 5.003 4.470 0.002 0.000 0.318 351 S C -0.612 173.966 174.600 -0.036 0.000 1.097 351 S CA -0.925 57.238 58.200 -0.062 0.000 1.080 351 S CB 0.455 63.618 63.200 -0.062 0.000 0.991 351 S HN 0.692 nan 8.310 nan 0.000 0.471 352 N N 1.290 119.970 118.700 -0.033 0.000 2.277 352 N HA 0.591 5.332 4.740 0.002 0.000 0.286 352 N C 0.356 175.863 175.510 -0.004 0.000 1.140 352 N CA -0.311 52.735 53.050 -0.007 0.000 0.799 352 N CB 2.285 40.781 38.487 0.015 0.000 1.596 352 N HN 0.767 nan 8.380 nan 0.000 0.473 353 G N 1.150 109.953 108.800 0.006 0.000 2.527 353 G HA2 -0.290 3.671 3.960 0.002 0.000 0.268 353 G HA3 -0.290 3.671 3.960 0.002 0.000 0.268 353 G C 0.478 175.380 174.900 0.005 0.000 1.175 353 G CA 0.180 45.287 45.100 0.013 0.000 0.962 353 G HN 0.795 nan 8.290 nan 0.000 0.560 354 G N -0.060 108.747 108.800 0.013 0.000 3.605 354 G HA2 0.529 4.490 3.960 0.002 0.000 0.277 354 G HA3 0.529 4.490 3.960 0.002 0.000 0.277 354 G C 0.431 175.328 174.900 -0.006 0.000 1.093 354 G CA 0.919 46.026 45.100 0.012 0.000 0.821 354 G HN 0.697 nan 8.290 nan 0.000 0.532 355 Q N -0.293 119.473 119.800 -0.056 0.000 2.445 355 Q HA 0.594 4.935 4.340 0.002 0.000 0.281 355 Q C -0.797 175.026 176.000 -0.295 0.000 1.101 355 Q CA -0.869 54.835 55.803 -0.164 0.000 0.833 355 Q CB 1.907 30.539 28.738 -0.176 0.000 1.416 355 Q HN 0.435 nan 8.270 nan 0.000 0.451 356 Q N 0.237 119.743 119.800 -0.490 0.000 2.309 356 Q HA 0.600 4.941 4.340 0.002 0.000 0.273 356 Q C -1.633 174.083 176.000 -0.472 0.000 1.040 356 Q CA -0.664 54.910 55.803 -0.381 0.000 0.834 356 Q CB 2.021 30.629 28.738 -0.217 0.000 1.345 356 Q HN 0.724 nan 8.270 nan 0.000 0.414 357 H N 0.714 119.747 119.070 -0.061 0.000 2.985 357 H HA 0.476 5.033 4.556 0.002 0.000 0.360 357 H C -0.682 174.563 175.328 -0.138 0.000 1.221 357 H CA -1.135 54.859 56.048 -0.089 0.000 1.121 357 H CB 1.670 31.400 29.762 -0.053 0.000 1.854 357 H HN 0.503 nan 8.280 nan 0.000 0.551 358 I N 1.823 122.335 120.570 -0.096 0.000 2.416 358 I HA 0.416 4.587 4.170 0.002 0.000 0.288 358 I C 0.330 176.400 176.117 -0.079 0.000 1.051 358 I CA 0.051 61.248 61.300 -0.173 0.000 1.375 358 I CB 0.338 38.087 38.000 -0.418 0.000 1.407 358 I HN 0.576 nan 8.210 nan 0.000 0.516 359 A N 6.868 129.669 122.820 -0.033 0.000 2.413 359 A HA 0.655 4.976 4.320 0.002 0.000 0.307 359 A C -0.399 177.194 177.584 0.014 0.000 1.087 359 A CA -0.812 51.220 52.037 -0.008 0.000 0.750 359 A CB 1.772 20.776 19.000 0.007 0.000 1.296 359 A HN 0.696 nan 8.150 nan 0.000 0.423 360 K N 0.837 121.247 120.400 0.017 0.000 2.138 360 K HA 0.504 4.825 4.320 0.002 0.000 0.263 360 K C -0.613 176.023 176.600 0.060 0.000 0.965 360 K CA -0.310 56.009 56.287 0.054 0.000 0.868 360 K CB 1.118 33.602 32.500 -0.026 0.000 1.083 360 K HN 0.760 nan 8.250 nan 0.000 0.443 361 Q N 3.442 123.310 119.800 0.113 0.000 2.321 361 Q HA 0.106 4.447 4.340 0.002 0.000 0.270 361 Q C -1.342 174.746 176.000 0.147 0.000 1.032 361 Q CA -0.831 55.029 55.803 0.095 0.000 0.784 361 Q CB 1.451 30.231 28.738 0.070 0.000 1.264 361 Q HN 0.706 nan 8.270 nan 0.000 0.448 362 D N 4.546 125.016 120.400 0.116 0.000 2.417 362 D HA 0.001 4.642 4.640 0.002 0.000 0.250 362 D C 0.518 176.900 176.300 0.137 0.000 1.166 362 D CA 0.193 54.278 54.000 0.142 0.000 0.881 362 D CB 1.038 41.889 40.800 0.086 0.000 1.164 362 D HN 0.763 nan 8.370 nan 0.000 0.467 363 L N 3.696 125.014 121.223 0.158 0.000 2.395 363 L HA -0.040 4.301 4.340 0.002 0.000 0.218 363 L C 2.441 179.388 176.870 0.127 0.000 1.130 363 L CA 0.633 55.561 54.840 0.148 0.000 0.826 363 L CB -0.133 42.035 42.059 0.182 0.000 0.941 363 L HN 0.495 nan 8.230 nan 0.000 0.451 364 A N -0.090 122.796 122.820 0.110 0.000 1.898 364 A HA -0.131 4.190 4.320 0.002 0.000 0.214 364 A C 2.338 179.963 177.584 0.067 0.000 1.183 364 A CA 1.882 53.969 52.037 0.083 0.000 0.622 364 A CB -0.517 18.527 19.000 0.073 0.000 0.824 364 A HN 0.422 nan 8.150 nan 0.000 0.444 365 T N -5.739 108.854 114.554 0.066 0.000 3.001 365 T HA 0.418 4.769 4.350 0.002 0.000 0.251 365 T C 1.403 176.138 174.700 0.059 0.000 1.040 365 T CA 1.141 63.271 62.100 0.051 0.000 0.985 365 T CB 0.367 69.259 68.868 0.040 0.000 1.011 365 T HN 1.700 nan 8.240 nan 0.000 0.509 366 G N 1.169 110.015 108.800 0.077 0.000 2.184 366 G HA2 -0.120 3.841 3.960 0.002 0.000 0.264 366 G HA3 -0.120 3.841 3.960 0.002 0.000 0.264 366 G C 0.557 175.497 174.900 0.067 0.000 0.975 366 G CA -0.053 45.098 45.100 0.086 0.000 0.642 366 G HN 1.138 nan 8.290 nan 0.000 0.536 367 G N -0.211 108.620 108.800 0.053 0.000 2.192 367 G HA2 0.470 4.431 3.960 0.002 0.000 0.258 367 G HA3 0.470 4.431 3.960 0.002 0.000 0.258 367 G C 0.183 175.104 174.900 0.035 0.000 1.185 367 G CA 0.572 45.694 45.100 0.036 0.000 0.976 367 G HN 1.060 nan 8.290 nan 0.000 0.446 368 V N 3.600 123.531 119.914 0.029 0.000 2.427 368 V HA 0.394 4.515 4.120 0.002 0.000 0.286 368 V C 0.204 176.303 176.094 0.008 0.000 1.034 368 V CA -0.532 61.781 62.300 0.023 0.000 0.893 368 V CB 1.574 33.413 31.823 0.027 0.000 0.982 368 V HN 0.822 nan 8.190 nan 0.000 0.452 369 Q N 3.600 123.399 119.800 -0.001 0.000 2.309 369 Q HA 0.486 4.827 4.340 0.002 0.000 0.270 369 Q C -1.287 174.704 176.000 -0.014 0.000 1.023 369 Q CA -0.568 55.227 55.803 -0.013 0.000 0.758 369 Q CB 2.112 30.830 28.738 -0.032 0.000 1.247 369 Q HN 0.614 nan 8.270 nan 0.000 0.455 370 V N 6.202 126.109 119.914 -0.011 0.000 2.540 370 V HA -0.058 4.063 4.120 0.002 0.000 0.297 370 V C 1.194 177.263 176.094 -0.042 0.000 1.024 370 V CA 0.706 62.994 62.300 -0.019 0.000 1.105 370 V CB 0.520 32.337 31.823 -0.010 0.000 0.938 370 V HN 0.900 nan 8.190 nan 0.000 0.482 371 L N 3.498 124.689 121.223 -0.053 0.000 2.316 371 L HA 0.140 4.481 4.340 0.002 0.000 0.207 371 L C 1.158 177.987 176.870 -0.069 0.000 1.070 371 L CA 0.571 55.380 54.840 -0.051 0.000 0.820 371 L CB 0.182 42.215 42.059 -0.043 0.000 0.992 371 L HN 0.808 nan 8.230 nan 0.000 0.466 372 S N -1.478 114.146 115.700 -0.127 0.000 2.648 372 S HA 0.455 4.926 4.470 0.002 0.000 0.305 372 S C 0.230 174.641 174.600 -0.315 0.000 1.094 372 S CA -0.193 57.930 58.200 -0.128 0.000 0.983 372 S CB 1.933 65.039 63.200 -0.157 0.000 1.101 372 S HN 0.129 nan 8.310 nan 0.000 0.514 373 S N -0.695 114.862 115.700 -0.239 0.000 2.855 373 S HA 0.267 4.738 4.470 0.002 0.000 0.249 373 S C 0.568 175.163 174.600 -0.007 0.000 1.033 373 S CA -0.193 57.745 58.200 -0.438 0.000 1.038 373 S CB -0.782 62.277 63.200 -0.235 0.000 0.960 373 S HN 1.002 nan 8.310 nan 0.000 0.548 374 T N -0.046 114.613 114.554 0.175 0.000 2.770 374 T HA 0.583 4.934 4.350 0.002 0.000 0.281 374 T C -0.382 174.562 174.700 0.406 0.000 0.981 374 T CA -0.605 61.665 62.100 0.283 0.000 0.955 374 T CB 0.232 69.275 68.868 0.290 0.000 1.060 374 T HN 0.220 nan 8.240 nan 0.000 0.531 375 F N 1.685 121.735 119.950 0.167 0.000 2.411 375 F HA 0.510 5.037 4.527 0.001 0.000 0.355 375 F C 0.061 175.910 175.800 0.083 0.000 1.117 375 F CA -1.656 56.410 58.000 0.110 0.000 1.139 375 F CB -0.020 39.017 39.000 0.062 0.000 1.120 375 F HN 0.528 nan 8.300 nan 0.000 0.493 376 L N 4.754 125.655 121.223 -0.536 0.000 3.472 376 L HA -0.252 4.089 4.340 0.002 0.000 0.485 376 L C -0.973 175.774 176.870 -0.206 0.000 1.312 376 L CA 0.229 54.719 54.840 -0.583 0.000 0.869 376 L CB -1.865 39.646 42.059 -0.914 0.000 1.687 376 L HN 0.593 nan 8.230 nan 0.000 0.853 377 D N 2.031 122.393 120.400 -0.062 0.000 2.389 377 D HA 0.543 5.184 4.640 0.002 0.000 0.247 377 D C 0.755 177.074 176.300 0.031 0.000 1.128 377 D CA 0.390 54.453 54.000 0.104 0.000 0.884 377 D CB 0.829 41.662 40.800 0.054 0.000 1.194 377 D HN 0.659 nan 8.370 nan 0.000 0.441 378 E N -1.742 118.527 120.200 0.115 0.000 2.454 378 E HA 0.381 4.732 4.350 0.002 0.000 0.279 378 E C -0.915 175.751 176.600 0.110 0.000 1.029 378 E CA -1.119 55.308 56.400 0.046 0.000 0.831 378 E CB 0.774 30.453 29.700 -0.035 0.000 1.405 378 E HN 0.190 nan 8.360 nan 0.000 0.463 379 T N -1.461 113.146 114.554 0.088 0.000 3.433 379 T HA -0.127 4.224 4.350 0.002 0.000 0.412 379 T C -2.105 172.717 174.700 0.204 0.000 0.768 379 T CA 0.425 62.611 62.100 0.144 0.000 2.077 379 T CB -1.999 66.949 68.868 0.134 0.000 1.700 379 T HN 0.477 nan 8.240 nan 0.000 0.666 380 P HA 0.507 nan 4.420 nan 0.000 0.275 380 P C -0.308 177.132 177.300 0.232 0.000 1.227 380 P CA -0.183 63.051 63.100 0.224 0.000 0.781 380 P CB 1.647 33.423 31.700 0.127 0.000 0.906 381 S N 2.811 118.688 115.700 0.294 0.000 2.571 381 S HA 0.483 4.954 4.470 0.002 0.000 0.284 381 S C -0.722 174.076 174.600 0.331 0.000 1.128 381 S CA -0.760 57.622 58.200 0.304 0.000 0.970 381 S CB 0.326 63.744 63.200 0.364 0.000 1.039 381 S HN 0.250 nan 8.310 nan 0.000 0.485 382 L N 4.056 125.388 121.223 0.181 0.000 2.305 382 L HA 0.570 4.911 4.340 0.002 0.000 0.281 382 L C 0.992 177.737 176.870 -0.208 0.000 1.085 382 L CA -0.594 54.261 54.840 0.025 0.000 0.813 382 L CB 1.039 43.073 42.059 -0.041 0.000 1.157 382 L HN 0.851 nan 8.230 nan 0.000 0.436 383 A N 6.169 128.526 122.820 -0.772 0.000 2.586 383 A HA 0.111 4.432 4.320 0.002 0.000 0.231 383 A C -1.304 175.774 177.584 -0.843 0.000 1.055 383 A CA -0.631 50.438 52.037 -1.614 0.000 0.756 383 A CB -0.333 17.468 19.000 -1.998 0.000 0.988 383 A HN 0.693 nan 8.150 nan 0.000 0.509 384 P HA -0.134 nan 4.420 nan 0.000 0.230 384 P C 0.595 177.509 177.300 -0.644 0.000 1.158 384 P CA 1.341 63.948 63.100 -0.822 0.000 0.769 384 P CB -0.286 30.574 31.700 -1.400 0.000 0.807 385 N N -0.881 117.543 118.700 -0.459 0.000 2.398 385 N HA 0.053 4.794 4.740 0.002 0.000 0.188 385 N C 1.142 176.601 175.510 -0.085 0.000 1.122 385 N CA 0.478 53.454 53.050 -0.123 0.000 0.866 385 N CB -0.497 37.978 38.487 -0.019 0.000 0.970 385 N HN -0.011 nan 8.380 nan 0.000 0.462 386 G N 1.000 109.713 108.800 -0.145 0.000 2.153 386 G HA2 -0.345 3.616 3.960 0.002 0.000 0.252 386 G HA3 -0.345 3.616 3.960 0.002 0.000 0.252 386 G C 0.727 175.687 174.900 0.100 0.000 0.994 386 G CA 0.985 46.123 45.100 0.063 0.000 0.698 386 G HN 0.612 nan 8.290 nan 0.000 0.521 387 T N -4.117 110.391 114.554 -0.078 0.000 2.985 387 T HA 0.652 5.003 4.350 0.002 0.000 0.254 387 T C 0.485 175.134 174.700 -0.085 0.000 1.021 387 T CA 1.065 63.127 62.100 -0.064 0.000 0.957 387 T CB 0.480 69.324 68.868 -0.041 0.000 1.047 387 T HN 0.752 nan 8.240 nan 0.000 0.511 388 M N 1.713 121.219 119.600 -0.157 0.000 2.433 388 M HA 0.660 5.141 4.480 0.002 0.000 0.290 388 M C -2.265 174.042 176.300 0.011 0.000 1.173 388 M CA -0.921 54.335 55.300 -0.073 0.000 0.905 388 M CB 2.488 34.998 32.600 -0.150 0.000 1.692 388 M HN -0.083 nan 8.290 nan 0.000 0.462 389 V N 5.152 125.216 119.914 0.250 0.000 2.495 389 V HA 0.593 4.714 4.120 0.002 0.000 0.298 389 V C -0.622 175.809 176.094 0.562 0.000 1.031 389 V CA -0.748 61.771 62.300 0.366 0.000 0.871 389 V CB 1.666 33.663 31.823 0.290 0.000 0.988 389 V HN 0.903 nan 8.190 nan 0.000 0.432 390 I N 5.790 126.727 120.570 0.612 0.000 2.460 390 I HA 0.748 4.919 4.170 0.002 0.000 0.298 390 I C -0.862 175.492 176.117 0.394 0.000 0.989 390 I CA -0.362 61.185 61.300 0.411 0.000 1.173 390 I CB 1.449 39.571 38.000 0.202 0.000 1.338 390 I HN 0.842 nan 8.210 nan 0.000 0.456 391 Y N 3.399 123.781 120.300 0.135 0.000 2.853 391 Y HA 0.650 5.200 4.550 0.001 0.000 0.326 391 Y C -1.411 174.516 175.900 0.045 0.000 1.384 391 Y CA -1.116 57.043 58.100 0.098 0.000 1.077 391 Y CB 0.974 39.493 38.460 0.098 0.000 1.395 391 Y HN 0.374 nan 8.280 nan 0.000 0.451 392 S N 0.683 116.430 115.700 0.078 0.000 2.536 392 S HA 0.867 5.338 4.470 0.002 0.000 0.298 392 S C -0.930 173.681 174.600 0.019 0.000 1.083 392 S CA 0.102 58.258 58.200 -0.074 0.000 0.995 392 S CB 1.040 64.195 63.200 -0.075 0.000 1.058 392 S HN 1.234 nan 8.310 nan 0.000 0.488 393 S N 2.258 117.926 115.700 -0.052 0.000 2.851 393 S HA 0.777 5.248 4.470 0.002 0.000 0.313 393 S C -1.009 173.589 174.600 -0.004 0.000 1.163 393 S CA -0.749 57.465 58.200 0.024 0.000 0.850 393 S CB 1.338 64.610 63.200 0.120 0.000 1.245 393 S HN 0.533 nan 8.310 nan 0.000 0.558 394 S N 0.496 116.224 115.700 0.046 0.000 2.482 394 S HA 0.591 5.062 4.470 0.002 0.000 0.303 394 S C -1.161 173.562 174.600 0.206 0.000 1.091 394 S CA -0.641 57.628 58.200 0.114 0.000 1.057 394 S CB 1.187 64.480 63.200 0.154 0.000 1.031 394 S HN 0.604 nan 8.310 nan 0.000 0.485 395 Q N 1.210 121.078 119.800 0.114 0.000 2.321 395 Q HA 0.563 4.904 4.340 0.002 0.000 0.270 395 Q C 0.661 176.690 176.000 0.048 0.000 1.032 395 Q CA -0.386 55.463 55.803 0.077 0.000 0.784 395 Q CB 1.970 30.725 28.738 0.028 0.000 1.264 395 Q HN 0.978 nan 8.270 nan 0.000 0.448 396 G N 2.457 111.273 108.800 0.027 0.000 2.602 396 G HA2 -0.319 3.642 3.960 0.002 0.000 0.306 396 G HA3 -0.319 3.642 3.960 0.002 0.000 0.306 396 G C 0.507 175.427 174.900 0.034 0.000 1.301 396 G CA 0.288 45.394 45.100 0.010 0.000 0.974 396 G HN 0.590 nan 8.290 nan 0.000 0.547 397 M N 2.439 122.051 119.600 0.020 0.000 2.568 397 M HA 0.309 4.790 4.480 0.002 0.000 0.226 397 M C 1.085 177.401 176.300 0.027 0.000 1.148 397 M CA 1.045 56.361 55.300 0.026 0.000 1.007 397 M CB -0.814 31.793 32.600 0.010 0.000 1.651 397 M HN 1.011 nan 8.290 nan 0.000 0.488 398 G N -0.724 108.092 108.800 0.026 0.000 2.695 398 G HA2 0.498 4.459 3.960 0.002 0.000 0.290 398 G HA3 0.498 4.459 3.960 0.002 0.000 0.290 398 G C -1.206 173.699 174.900 0.008 0.000 1.410 398 G CA -0.442 44.666 45.100 0.013 0.000 0.844 398 G HN 0.085 nan 8.290 nan 0.000 0.478 399 S N -0.997 114.697 115.700 -0.009 0.000 2.580 399 S HA 0.604 5.075 4.470 0.002 0.000 0.274 399 S C 0.515 175.086 174.600 -0.048 0.000 1.329 399 S CA -0.120 58.061 58.200 -0.032 0.000 1.036 399 S CB 1.239 64.409 63.200 -0.051 0.000 0.919 399 S HN 1.446 nan 8.310 nan 0.000 0.515 400 V N 0.933 120.805 119.914 -0.070 0.000 3.156 400 V HA 0.687 4.808 4.120 0.002 0.000 0.310 400 V C -1.221 174.783 176.094 -0.150 0.000 1.234 400 V CA -1.158 61.080 62.300 -0.102 0.000 1.065 400 V CB 1.336 33.105 31.823 -0.091 0.000 1.088 400 V HN 0.704 nan 8.190 nan 0.000 0.451 401 L N 1.853 122.962 121.223 -0.190 0.000 2.325 401 L HA 0.651 4.992 4.340 0.002 0.000 0.278 401 L C -0.332 176.362 176.870 -0.293 0.000 1.023 401 L CA -0.524 54.172 54.840 -0.240 0.000 0.811 401 L CB 1.660 43.578 42.059 -0.234 0.000 1.249 401 L HN 0.764 nan 8.230 nan 0.000 0.431 402 N N 2.987 121.404 118.700 -0.471 0.000 2.265 402 N HA 0.662 5.403 4.740 0.002 0.000 0.300 402 N C -1.345 173.996 175.510 -0.282 0.000 1.148 402 N CA -0.616 52.125 53.050 -0.516 0.000 0.772 402 N CB 3.064 40.906 38.487 -1.076 0.000 1.434 402 N HN 0.332 nan 8.380 nan 0.000 0.481 403 L N 1.157 122.385 121.223 0.009 0.000 2.365 403 L HA 0.651 4.992 4.340 0.002 0.000 0.273 403 L C -0.616 176.483 176.870 0.382 0.000 1.000 403 L CA -0.886 54.124 54.840 0.283 0.000 0.819 403 L CB 2.213 44.499 42.059 0.378 0.000 1.284 403 L HN 0.160 nan 8.230 nan 0.000 0.418 404 V N 1.969 122.162 119.914 0.464 0.000 2.808 404 V HA 0.531 4.652 4.120 0.002 0.000 0.308 404 V C -0.114 176.181 176.094 0.335 0.000 1.099 404 V CA -0.391 62.143 62.300 0.391 0.000 0.920 404 V CB 2.663 34.674 31.823 0.314 0.000 1.014 404 V HN 0.891 nan 8.190 nan 0.000 0.425 405 S N 3.116 119.012 115.700 0.327 0.000 2.593 405 S HA 0.159 4.630 4.470 0.002 0.000 0.269 405 S C 1.249 175.901 174.600 0.088 0.000 1.334 405 S CA 0.305 58.615 58.200 0.183 0.000 1.015 405 S CB 1.196 64.501 63.200 0.175 0.000 0.912 405 S HN 1.275 nan 8.310 nan 0.000 0.541 406 T N -2.132 112.428 114.554 0.010 0.000 3.055 406 T HA -0.056 4.295 4.350 0.002 0.000 0.265 406 T C 0.919 175.550 174.700 -0.115 0.000 1.111 406 T CA 0.876 62.929 62.100 -0.077 0.000 1.118 406 T CB -0.606 68.149 68.868 -0.188 0.000 0.909 406 T HN 0.799 nan 8.240 nan 0.000 0.501 407 D N 1.017 121.379 120.400 -0.063 0.000 2.340 407 D HA 0.189 4.830 4.640 0.002 0.000 0.220 407 D C 1.694 177.991 176.300 -0.006 0.000 1.039 407 D CA 0.468 54.437 54.000 -0.051 0.000 0.866 407 D CB -0.828 39.947 40.800 -0.042 0.000 0.913 407 D HN 0.513 nan 8.370 nan 0.000 0.523 408 G N 0.969 109.786 108.800 0.028 0.000 2.168 408 G HA2 -0.377 3.584 3.960 0.002 0.000 0.263 408 G HA3 -0.377 3.584 3.960 0.002 0.000 0.263 408 G C 1.290 176.230 174.900 0.067 0.000 0.977 408 G CA 0.460 45.587 45.100 0.045 0.000 0.659 408 G HN 0.383 nan 8.290 nan 0.000 0.533 409 R N -1.086 119.471 120.500 0.095 0.000 2.127 409 R HA 0.203 4.544 4.340 0.002 0.000 0.217 409 R C 1.029 177.423 176.300 0.156 0.000 1.074 409 R CA 0.533 56.694 56.100 0.101 0.000 0.991 409 R CB 0.049 30.410 30.300 0.101 0.000 0.895 409 R HN 0.542 nan 8.270 nan 0.000 0.450 410 F N 1.894 121.875 119.950 0.051 0.000 2.420 410 F HA 0.360 4.888 4.527 0.001 0.000 0.342 410 F C -0.645 175.211 175.800 0.093 0.000 1.113 410 F CA -0.604 57.442 58.000 0.076 0.000 1.059 410 F CB 1.068 40.124 39.000 0.094 0.000 1.128 410 F HN -0.344 nan 8.300 nan 0.000 0.475 411 K N 5.445 125.508 120.400 -0.561 0.000 2.482 411 K HA 0.823 5.144 4.320 0.002 0.000 0.251 411 K C -1.469 174.829 176.600 -0.503 0.000 0.936 411 K CA -0.964 55.132 56.287 -0.320 0.000 0.791 411 K CB 2.093 34.519 32.500 -0.123 0.000 1.213 411 K HN 0.726 nan 8.250 nan 0.000 0.428 412 A N 2.676 125.366 122.820 -0.217 0.000 2.602 412 A HA 0.767 5.088 4.320 0.002 0.000 0.290 412 A C -1.382 176.178 177.584 -0.039 0.000 1.114 412 A CA -0.852 51.106 52.037 -0.131 0.000 0.683 412 A CB 1.590 20.581 19.000 -0.015 0.000 1.281 412 A HN 0.691 nan 8.150 nan 0.000 0.416 413 R N -0.729 119.743 120.500 -0.045 0.000 2.837 413 R HA 0.657 4.998 4.340 0.002 0.000 0.271 413 R C -1.496 174.756 176.300 -0.079 0.000 0.993 413 R CA -0.732 55.320 56.100 -0.079 0.000 0.931 413 R CB 1.866 32.116 30.300 -0.083 0.000 1.206 413 R HN 0.507 nan 8.270 nan 0.000 0.474 414 L N 3.310 124.456 121.223 -0.127 0.000 2.709 414 L HA 0.336 4.677 4.340 0.002 0.000 0.236 414 L C -2.116 174.647 176.870 -0.178 0.000 1.266 414 L CA -1.658 53.085 54.840 -0.162 0.000 0.987 414 L CB 1.005 42.933 42.059 -0.219 0.000 1.306 414 L HN 0.251 nan 8.230 nan 0.000 0.467 415 P HA 0.205 nan 4.420 nan 0.000 0.268 415 P C -0.557 176.659 177.300 -0.140 0.000 1.205 415 P CA -0.012 63.013 63.100 -0.124 0.000 0.771 415 P CB 1.643 33.288 31.700 -0.091 0.000 0.858 416 A N 1.926 124.668 122.820 -0.130 0.000 2.387 416 A HA 0.632 4.953 4.320 0.002 0.000 0.303 416 A C 1.118 178.648 177.584 -0.089 0.000 1.145 416 A CA -0.053 51.907 52.037 -0.129 0.000 0.801 416 A CB 0.685 19.597 19.000 -0.146 0.000 1.342 416 A HN 0.545 nan 8.150 nan 0.000 0.440 417 T N -2.852 111.656 114.554 -0.078 0.000 3.040 417 T HA 0.102 4.453 4.350 0.002 0.000 0.252 417 T C 0.183 174.855 174.700 -0.045 0.000 1.064 417 T CA 1.191 63.256 62.100 -0.059 0.000 1.110 417 T CB -0.155 68.679 68.868 -0.057 0.000 0.921 417 T HN 0.644 nan 8.240 nan 0.000 0.480 418 D N 0.084 120.459 120.400 -0.041 0.000 2.673 418 D HA 0.514 5.155 4.640 0.002 0.000 0.278 418 D C 0.589 176.872 176.300 -0.029 0.000 1.393 418 D CA -0.372 53.609 54.000 -0.031 0.000 0.805 418 D CB 0.355 41.141 40.800 -0.023 0.000 1.110 418 D HN 0.667 nan 8.370 nan 0.000 0.476 419 G N -0.497 108.284 108.800 -0.033 0.000 2.336 419 G HA2 0.178 4.139 3.960 0.002 0.000 0.300 419 G HA3 0.178 4.139 3.960 0.002 0.000 0.300 419 G C -1.487 173.395 174.900 -0.029 0.000 1.375 419 G CA -1.084 43.998 45.100 -0.030 0.000 0.885 419 G HN 0.058 nan 8.290 nan 0.000 0.599 420 Q N -1.117 118.671 119.800 -0.020 0.000 2.392 420 Q HA 0.516 4.857 4.340 0.002 0.000 0.262 420 Q C 0.177 176.176 176.000 -0.002 0.000 1.003 420 Q CA 0.473 56.267 55.803 -0.014 0.000 0.888 420 Q CB 1.504 30.244 28.738 0.003 0.000 1.260 420 Q HN 1.365 nan 8.270 nan 0.000 0.435 421 V N 1.066 120.965 119.914 -0.025 0.000 2.638 421 V HA 0.641 4.762 4.120 0.002 0.000 0.306 421 V C -0.498 175.584 176.094 -0.021 0.000 1.052 421 V CA -0.668 61.621 62.300 -0.019 0.000 0.885 421 V CB 1.804 33.544 31.823 -0.138 0.000 0.999 421 V HN 0.809 nan 8.190 nan 0.000 0.424 422 K N 2.746 123.177 120.400 0.052 0.000 2.395 422 K HA 0.761 5.082 4.320 0.002 0.000 0.272 422 K C -0.510 176.173 176.600 0.138 0.000 0.984 422 K CA -0.819 55.460 56.287 -0.013 0.000 0.816 422 K CB 1.113 33.532 32.500 -0.134 0.000 1.504 422 K HN 0.912 nan 8.250 nan 0.000 0.375 423 F N 0.753 120.763 119.950 0.100 0.000 2.907 423 F HA -0.137 4.391 4.527 0.002 0.000 0.244 423 F C -2.050 173.834 175.800 0.140 0.000 1.007 423 F CA 0.401 58.471 58.000 0.117 0.000 0.872 423 F CB -1.772 37.291 39.000 0.105 0.000 0.767 423 F HN 0.370 nan 8.300 nan 0.000 0.837 424 P HA 0.526 nan 4.420 nan 0.000 0.274 424 P C -0.566 176.911 177.300 0.295 0.000 1.231 424 P CA -0.057 63.199 63.100 0.261 0.000 0.790 424 P CB 1.828 33.626 31.700 0.162 0.000 0.951 425 A N 2.479 125.495 122.820 0.326 0.000 2.427 425 A HA 0.431 4.752 4.320 0.002 0.000 0.298 425 A C -1.460 176.447 177.584 0.539 0.000 1.036 425 A CA -0.604 51.691 52.037 0.430 0.000 0.701 425 A CB 1.007 20.260 19.000 0.421 0.000 1.250 425 A HN 0.505 nan 8.150 nan 0.000 0.412 426 W N 3.685 125.162 121.300 0.295 0.000 2.316 426 W HA 0.446 5.107 4.660 0.001 0.000 0.311 426 W C 0.725 177.122 176.519 -0.203 0.000 1.217 426 W CA -0.030 57.368 57.345 0.088 0.000 1.199 426 W CB 1.783 31.250 29.460 0.013 0.000 1.202 426 W HN 0.911 nan 8.180 nan 0.000 0.528 427 S N 7.107 122.601 115.700 -0.342 0.000 2.600 427 S HA 0.384 4.855 4.470 0.002 0.000 0.265 427 S C -2.015 172.319 174.600 -0.443 0.000 1.325 427 S CA -0.989 56.483 58.200 -1.212 0.000 1.002 427 S CB 1.229 63.419 63.200 -1.683 0.000 0.921 427 S HN 0.357 nan 8.310 nan 0.000 0.554 428 P HA 0.148 nan 4.420 nan 0.000 0.277 428 P C -0.524 176.627 177.300 -0.249 0.000 1.276 428 P CA -0.443 62.484 63.100 -0.288 0.000 0.788 428 P CB 0.056 31.672 31.700 -0.140 0.000 1.114 429 Y N -0.905 119.316 120.300 -0.132 0.000 2.805 429 Y HA 0.069 4.619 4.550 0.001 0.000 0.337 429 Y C 1.189 177.041 175.900 -0.079 0.000 1.252 429 Y CA 0.994 59.024 58.100 -0.117 0.000 1.515 429 Y CB -0.465 37.935 38.460 -0.100 0.000 1.305 429 Y HN 0.104 nan 8.280 nan 0.000 0.600 430 L N 0.000 121.301 121.223 0.130 0.000 2.949 430 L HA 0.000 4.341 4.340 0.002 0.000 0.249 430 L CA 0.000 54.910 54.840 0.117 0.000 0.813 430 L CB 0.000 42.136 42.059 0.129 0.000 0.961 430 L HN 0.000 nan 8.230 nan 0.000 0.502