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 2xmn_1_B DATA FIRST_RESID 1 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GFSVGTSTIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPE 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.659 176.600 0.098 0.000 1.382 1 E CA 0.000 56.457 56.400 0.095 0.000 0.976 1 E CB 0.000 29.771 29.700 0.119 0.000 0.812 2 N N 0.336 119.086 118.700 0.084 0.000 2.418 2 N HA 0.150 4.889 4.740 -0.001 0.000 0.283 2 N C 0.629 176.084 175.510 -0.093 0.000 1.267 2 N CA -0.600 52.495 53.050 0.074 0.000 0.975 2 N CB 0.113 38.620 38.487 0.033 0.000 1.167 2 N HN 0.445 nan 8.380 nan 0.000 0.581 3 L N -0.601 120.375 121.223 -0.412 0.000 1.989 3 L HA -0.060 4.279 4.340 -0.001 0.000 0.211 3 L C 2.100 178.799 176.870 -0.284 0.000 1.071 3 L CA 1.748 56.144 54.840 -0.741 0.000 0.749 3 L CB -0.964 40.647 42.059 -0.747 0.000 0.890 3 L HN 0.515 nan 8.230 nan 0.000 0.431 4 M N -0.786 118.729 119.600 -0.143 0.000 2.082 4 M HA -0.301 4.179 4.480 -0.001 0.000 0.258 4 M C 2.290 178.617 176.300 0.044 0.000 1.071 4 M CA 1.936 57.228 55.300 -0.012 0.000 1.103 4 M CB -1.331 31.270 32.600 0.001 0.000 1.307 4 M HN 0.413 nan 8.290 nan 0.000 0.409 5 Q N -0.715 119.096 119.800 0.019 0.000 2.181 5 Q HA -0.133 4.206 4.340 -0.001 0.000 0.205 5 Q C 2.084 178.115 176.000 0.052 0.000 0.980 5 Q CA 1.397 57.226 55.803 0.044 0.000 0.862 5 Q CB -0.209 28.564 28.738 0.059 0.000 0.905 5 Q HN 0.393 nan 8.270 nan 0.000 0.429 6 V N -0.035 119.882 119.914 0.005 0.000 2.239 6 V HA -0.279 3.840 4.120 -0.001 0.000 0.242 6 V C 1.888 178.005 176.094 0.039 0.000 1.038 6 V CA 1.937 64.236 62.300 -0.001 0.000 1.002 6 V CB -0.976 30.762 31.823 -0.141 0.000 0.641 6 V HN 0.348 nan 8.190 nan 0.000 0.449 7 Y N 1.420 121.667 120.300 -0.089 0.000 2.030 7 Y HA -0.390 4.160 4.550 -0.001 0.000 0.272 7 Y C 2.702 178.582 175.900 -0.035 0.000 1.185 7 Y CA 2.404 60.458 58.100 -0.076 0.000 1.120 7 Y CB -0.681 37.712 38.460 -0.112 0.000 0.955 7 Y HN 0.308 nan 8.280 nan 0.000 0.495 8 Q N -0.342 119.337 119.800 -0.201 0.000 2.096 8 Q HA -0.293 4.046 4.340 -0.001 0.000 0.204 8 Q C 2.299 178.171 176.000 -0.214 0.000 0.982 8 Q CA 2.095 57.733 55.803 -0.276 0.000 0.850 8 Q CB -0.328 28.380 28.738 -0.050 0.000 0.901 8 Q HN 0.695 nan 8.270 nan 0.000 0.422 9 Q N -0.340 119.405 119.800 -0.092 0.000 2.226 9 Q HA -0.110 4.229 4.340 -0.001 0.000 0.204 9 Q C 1.926 177.876 176.000 -0.084 0.000 0.975 9 Q CA 1.130 56.903 55.803 -0.049 0.000 0.866 9 Q CB -0.050 28.712 28.738 0.040 0.000 0.915 9 Q HN 0.363 nan 8.270 nan 0.000 0.440 10 A N 0.851 123.595 122.820 -0.127 0.000 1.970 10 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 10 A C 1.977 179.448 177.584 -0.188 0.000 1.170 10 A CA 0.574 52.538 52.037 -0.123 0.000 0.645 10 A CB -0.298 18.655 19.000 -0.079 0.000 0.816 10 A HN 0.154 nan 8.150 nan 0.000 0.447 11 R N 0.166 120.453 120.500 -0.354 0.000 2.103 11 R HA -0.113 4.227 4.340 -0.001 0.000 0.242 11 R C 1.424 177.633 176.300 -0.152 0.000 1.142 11 R CA 1.679 57.586 56.100 -0.323 0.000 0.960 11 R CB -0.408 29.609 30.300 -0.472 0.000 0.858 11 R HN 0.557 nan 8.270 nan 0.000 0.439 12 L N 0.196 121.341 121.223 -0.129 0.000 2.610 12 L HA 0.017 4.357 4.340 -0.001 0.000 0.232 12 L C 1.582 178.422 176.870 -0.051 0.000 1.149 12 L CA 0.855 55.652 54.840 -0.072 0.000 0.872 12 L CB 0.070 42.092 42.059 -0.061 0.000 0.992 12 L HN 0.281 nan 8.230 nan 0.000 0.447 13 S N -3.322 112.345 115.700 -0.056 0.000 2.661 13 S HA 0.029 4.499 4.470 -0.001 0.000 0.275 13 S C 0.572 175.153 174.600 -0.032 0.000 1.075 13 S CA -0.533 57.643 58.200 -0.040 0.000 1.251 13 S CB -0.232 62.941 63.200 -0.044 0.000 1.167 13 S HN 0.273 nan 8.310 nan 0.000 0.648 14 N N 4.849 123.528 118.700 -0.036 0.000 2.429 14 N HA 0.212 4.952 4.740 -0.001 0.000 0.271 14 N C -1.609 173.898 175.510 -0.005 0.000 1.272 14 N CA -1.387 51.649 53.050 -0.023 0.000 0.921 14 N CB 1.017 39.489 38.487 -0.026 0.000 1.128 14 N HN 0.162 nan 8.380 nan 0.000 0.481 15 P HA 0.015 nan 4.420 nan 0.000 0.245 15 P C 0.227 177.536 177.300 0.014 0.000 1.212 15 P CA 0.602 63.705 63.100 0.005 0.000 0.774 15 P CB 0.562 32.260 31.700 -0.003 0.000 0.999 16 E N -0.164 120.044 120.200 0.013 0.000 2.076 16 E HA -0.039 4.311 4.350 -0.001 0.000 0.190 16 E C 1.798 178.422 176.600 0.040 0.000 0.979 16 E CA 0.628 57.039 56.400 0.020 0.000 0.807 16 E CB -0.981 28.725 29.700 0.010 0.000 0.761 16 E HN 0.112 nan 8.360 nan 0.000 0.454 17 L N 0.149 121.396 121.223 0.041 0.000 2.209 17 L HA 0.060 4.400 4.340 -0.001 0.000 0.207 17 L C 1.897 178.862 176.870 0.158 0.000 1.094 17 L CA 1.311 56.198 54.840 0.078 0.000 0.790 17 L CB 0.047 42.124 42.059 0.030 0.000 0.932 17 L HN -0.094 nan 8.230 nan 0.000 0.447 18 R N -0.451 120.104 120.500 0.091 0.000 2.090 18 R HA -0.160 4.179 4.340 -0.001 0.000 0.228 18 R C 2.220 178.559 176.300 0.064 0.000 1.110 18 R CA 1.522 57.667 56.100 0.075 0.000 0.973 18 R CB -0.165 30.155 30.300 0.033 0.000 0.869 18 R HN 0.315 nan 8.270 nan 0.000 0.440 19 K N 0.120 120.556 120.400 0.059 0.000 2.001 19 K HA -0.095 4.225 4.320 -0.001 0.000 0.208 19 K C 2.120 178.765 176.600 0.075 0.000 1.048 19 K CA 1.868 58.185 56.287 0.050 0.000 0.932 19 K CB -0.352 32.171 32.500 0.038 0.000 0.715 19 K HN -0.042 nan 8.250 nan 0.000 0.437 20 S N -0.274 115.499 115.700 0.123 0.000 2.407 20 S HA -0.224 4.246 4.470 -0.001 0.000 0.235 20 S C 1.891 176.604 174.600 0.188 0.000 1.036 20 S CA 1.462 59.776 58.200 0.191 0.000 1.013 20 S CB -0.510 62.845 63.200 0.259 0.000 0.820 20 S HN 0.523 nan 8.310 nan 0.000 0.476 21 A N 0.779 123.670 122.820 0.118 0.000 1.929 21 A HA 0.338 4.657 4.320 -0.001 0.000 0.216 21 A C 2.419 179.929 177.584 -0.125 0.000 1.176 21 A CA 1.544 53.461 52.037 -0.200 0.000 0.628 21 A CB -1.186 17.715 19.000 -0.165 0.000 0.816 21 A HN 0.736 nan 8.150 nan 0.000 0.444 22 A N -0.003 122.796 122.820 -0.034 0.000 2.015 22 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 22 A C 1.649 179.231 177.584 -0.004 0.000 1.163 22 A CA 1.737 53.761 52.037 -0.022 0.000 0.646 22 A CB -0.420 18.577 19.000 -0.004 0.000 0.806 22 A HN 0.448 nan 8.150 nan 0.000 0.448 23 D N -0.649 119.760 120.400 0.014 0.000 2.123 23 D HA -0.102 4.537 4.640 -0.001 0.000 0.200 23 D C 2.109 178.434 176.300 0.042 0.000 0.976 23 D CA 0.747 54.766 54.000 0.030 0.000 0.831 23 D CB -0.324 40.505 40.800 0.048 0.000 0.974 23 D HN 0.303 nan 8.370 nan 0.000 0.469 24 R N 0.820 121.340 120.500 0.033 0.000 2.073 24 R HA -0.128 4.212 4.340 -0.001 0.000 0.234 24 R C 1.261 177.644 176.300 0.138 0.000 1.134 24 R CA 1.242 57.395 56.100 0.088 0.000 0.952 24 R CB -0.182 30.084 30.300 -0.057 0.000 0.850 24 R HN 0.090 nan 8.270 nan 0.000 0.433 25 D N 0.148 120.555 120.400 0.012 0.000 2.149 25 D HA -0.146 4.494 4.640 -0.001 0.000 0.198 25 D C 1.671 178.013 176.300 0.071 0.000 0.990 25 D CA 1.561 55.572 54.000 0.018 0.000 0.839 25 D CB -0.204 40.571 40.800 -0.042 0.000 0.948 25 D HN 0.329 nan 8.370 nan 0.000 0.460 26 A N 0.876 123.725 122.820 0.048 0.000 1.872 26 A HA 0.073 4.393 4.320 -0.001 0.000 0.214 26 A C 2.314 179.922 177.584 0.039 0.000 1.187 26 A CA 1.939 53.997 52.037 0.035 0.000 0.614 26 A CB -0.786 18.224 19.000 0.015 0.000 0.826 26 A HN 0.214 nan 8.150 nan 0.000 0.442 27 A N -1.126 121.716 122.820 0.037 0.000 1.940 27 A HA -0.079 4.241 4.320 -0.001 0.000 0.219 27 A C 1.974 179.506 177.584 -0.087 0.000 1.176 27 A CA 1.633 53.648 52.037 -0.037 0.000 0.631 27 A CB -0.768 18.189 19.000 -0.071 0.000 0.814 27 A HN 0.474 nan 8.150 nan 0.000 0.446 28 F N -0.403 119.531 119.950 -0.027 0.000 2.146 28 F HA -0.086 4.441 4.527 -0.001 0.000 0.298 28 F C 2.409 178.194 175.800 -0.025 0.000 1.096 28 F CA 1.699 59.683 58.000 -0.026 0.000 1.275 28 F CB -0.238 38.742 39.000 -0.033 0.000 1.008 28 F HN 0.313 nan 8.300 nan 0.000 0.480 29 E N 1.009 121.295 120.200 0.144 0.000 2.110 29 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 29 E C 2.009 178.623 176.600 0.024 0.000 0.988 29 E CA 1.359 57.799 56.400 0.067 0.000 0.804 29 E CB -0.315 29.409 29.700 0.041 0.000 0.745 29 E HN 0.201 nan 8.360 nan 0.000 0.458 30 K N 0.073 120.474 120.400 0.002 0.000 2.360 30 K HA -0.109 4.211 4.320 -0.001 0.000 0.201 30 K C 1.898 178.473 176.600 -0.042 0.000 1.046 30 K CA 0.936 57.207 56.287 -0.026 0.000 0.945 30 K CB -0.199 32.279 32.500 -0.037 0.000 0.750 30 K HN 0.243 nan 8.250 nan 0.000 0.464 31 I N 1.261 121.804 120.570 -0.045 0.000 2.118 31 I HA -0.389 3.781 4.170 -0.001 0.000 0.241 31 I C 1.726 177.821 176.117 -0.037 0.000 1.070 31 I CA 1.786 63.057 61.300 -0.048 0.000 1.327 31 I CB -0.556 37.424 38.000 -0.033 0.000 1.034 31 I HN 0.321 nan 8.210 nan 0.000 0.405 32 N N 0.534 119.224 118.700 -0.018 0.000 2.037 32 N HA -0.316 4.423 4.740 -0.001 0.000 0.196 32 N C 1.796 177.280 175.510 -0.042 0.000 1.034 32 N CA 1.830 54.865 53.050 -0.025 0.000 0.861 32 N CB -0.317 38.164 38.487 -0.010 0.000 1.039 32 N HN 0.513 nan 8.380 nan 0.000 0.427 33 E N 0.914 121.090 120.200 -0.040 0.000 2.265 33 E HA -0.122 4.228 4.350 -0.001 0.000 0.196 33 E C 1.697 178.258 176.600 -0.065 0.000 0.996 33 E CA 1.018 57.390 56.400 -0.048 0.000 0.832 33 E CB -0.010 29.666 29.700 -0.039 0.000 0.756 33 E HN 0.414 nan 8.360 nan 0.000 0.491 34 A N 1.202 123.979 122.820 -0.070 0.000 2.072 34 A HA 0.011 4.331 4.320 -0.001 0.000 0.216 34 A C 2.194 179.703 177.584 -0.125 0.000 1.156 34 A CA 0.803 52.787 52.037 -0.088 0.000 0.701 34 A CB -0.338 18.616 19.000 -0.077 0.000 0.816 34 A HN 0.246 nan 8.150 nan 0.000 0.458 35 R N 0.546 120.975 120.500 -0.119 0.000 2.193 35 R HA -0.079 4.260 4.340 -0.001 0.000 0.213 35 R C 2.189 178.386 176.300 -0.172 0.000 1.055 35 R CA 1.551 57.552 56.100 -0.164 0.000 0.995 35 R CB -0.232 29.998 30.300 -0.115 0.000 0.893 35 R HN 0.577 nan 8.270 nan 0.000 0.459 36 S N 0.804 116.430 115.700 -0.123 0.000 2.383 36 S HA 0.009 4.479 4.470 -0.001 0.000 0.229 36 S C -0.997 173.530 174.600 -0.123 0.000 1.030 36 S CA 0.495 58.632 58.200 -0.105 0.000 1.002 36 S CB -0.976 62.181 63.200 -0.073 0.000 0.829 36 S HN 0.280 nan 8.310 nan 0.000 0.467 37 P HA 0.124 nan 4.420 nan 0.000 0.234 37 P C 0.860 178.051 177.300 -0.181 0.000 1.167 37 P CA 0.649 63.664 63.100 -0.141 0.000 0.763 37 P CB -0.171 31.445 31.700 -0.140 0.000 0.835 38 L N -2.528 118.543 121.223 -0.253 0.000 2.592 38 L HA 0.121 4.460 4.340 -0.001 0.000 0.227 38 L C 0.582 177.347 176.870 -0.175 0.000 1.127 38 L CA 0.006 54.660 54.840 -0.309 0.000 0.884 38 L CB -0.167 41.537 42.059 -0.591 0.000 1.065 38 L HN 0.011 nan 8.230 nan 0.000 0.457 39 L N -0.837 120.311 121.223 -0.127 0.000 2.335 39 L HA 0.476 4.815 4.340 -0.001 0.000 0.268 39 L C -2.238 174.604 176.870 -0.047 0.000 1.016 39 L CA -1.721 53.076 54.840 -0.072 0.000 0.805 39 L CB 0.269 42.289 42.059 -0.065 0.000 1.311 39 L HN -0.270 nan 8.230 nan 0.000 0.456 40 P HA 0.146 nan 4.420 nan 0.000 0.276 40 P C -1.382 175.905 177.300 -0.022 0.000 1.243 40 P CA -0.389 62.700 63.100 -0.018 0.000 0.768 40 P CB 0.451 32.147 31.700 -0.008 0.000 0.856 41 Q N 2.669 122.456 119.800 -0.022 0.000 2.267 41 Q HA 0.410 4.750 4.340 -0.001 0.000 0.255 41 Q C -0.655 175.337 176.000 -0.013 0.000 0.923 41 Q CA -0.419 55.372 55.803 -0.020 0.000 0.925 41 Q CB 1.476 30.200 28.738 -0.023 0.000 1.195 41 Q HN 0.346 nan 8.270 nan 0.000 0.417 42 L N 1.772 122.988 121.223 -0.011 0.000 2.471 42 L HA 0.607 4.947 4.340 -0.001 0.000 0.263 42 L C -0.434 176.432 176.870 -0.006 0.000 0.985 42 L CA -0.085 54.750 54.840 -0.007 0.000 0.868 42 L CB 1.469 43.525 42.059 -0.006 0.000 1.203 42 L HN 0.630 nan 8.230 nan 0.000 0.429 43 G N 3.322 112.119 108.800 -0.005 0.000 2.601 43 G HA2 0.673 4.633 3.960 -0.001 0.000 0.317 43 G HA3 0.673 4.633 3.960 -0.001 0.000 0.317 43 G C -1.769 173.131 174.900 -0.001 0.000 1.246 43 G CA -0.707 44.390 45.100 -0.004 0.000 1.012 43 G HN 0.614 nan 8.290 nan 0.000 0.494 44 L N 0.222 121.445 121.223 0.000 0.000 2.482 44 L HA 0.711 5.051 4.340 -0.001 0.000 0.269 44 L C -0.134 176.739 176.870 0.005 0.000 0.967 44 L CA -0.365 54.476 54.840 0.003 0.000 0.851 44 L CB 1.761 43.821 42.059 0.003 0.000 1.242 44 L HN 0.774 nan 8.230 nan 0.000 0.404 45 G N 3.489 112.293 108.800 0.006 0.000 2.590 45 G HA2 0.780 4.740 3.960 -0.001 0.000 0.310 45 G HA3 0.780 4.740 3.960 -0.001 0.000 0.310 45 G C -1.513 173.395 174.900 0.014 0.000 1.347 45 G CA -0.248 44.858 45.100 0.009 0.000 0.963 45 G HN 0.831 nan 8.290 nan 0.000 0.494 46 A N 2.366 125.198 122.820 0.020 0.000 2.356 46 A HA 0.768 5.088 4.320 -0.001 0.000 0.310 46 A C -0.987 176.623 177.584 0.043 0.000 1.075 46 A CA -0.761 51.294 52.037 0.030 0.000 0.746 46 A CB 1.394 20.414 19.000 0.032 0.000 1.221 46 A HN 0.563 nan 8.150 nan 0.000 0.443 47 D N 2.428 122.855 120.400 0.046 0.000 2.440 47 D HA 0.189 4.828 4.640 -0.001 0.000 0.252 47 D C -1.343 175.000 176.300 0.071 0.000 1.180 47 D CA 0.065 54.096 54.000 0.052 0.000 0.894 47 D CB 1.515 42.325 40.800 0.017 0.000 1.111 47 D HN 0.577 nan 8.370 nan 0.000 0.544 48 Y N 1.720 122.023 120.300 0.005 0.000 2.359 48 Y HA 0.265 4.814 4.550 -0.001 0.000 0.330 48 Y C -0.486 175.427 175.900 0.022 0.000 1.143 48 Y CA 0.582 58.688 58.100 0.011 0.000 1.318 48 Y CB 1.062 39.529 38.460 0.012 0.000 1.234 48 Y HN 0.088 nan 8.280 nan 0.000 0.522 49 T N 6.856 120.886 114.554 -0.874 0.000 2.971 49 T HA 0.198 4.547 4.350 -0.001 0.000 0.304 49 T C -2.136 172.194 174.700 -0.616 0.000 1.038 49 T CA -0.544 61.231 62.100 -0.542 0.000 1.007 49 T CB 0.649 69.363 68.868 -0.258 0.000 1.055 49 T HN 0.542 nan 8.240 nan 0.000 0.451 50 Y N 2.418 122.484 120.300 -0.391 0.000 2.345 50 Y HA 0.606 5.155 4.550 -0.001 0.000 0.331 50 Y C -0.330 175.510 175.900 -0.100 0.000 0.959 50 Y CA -0.478 57.497 58.100 -0.208 0.000 1.204 50 Y CB 0.903 39.358 38.460 -0.007 0.000 1.135 50 Y HN 0.592 nan 8.280 nan 0.000 0.477 51 S N 4.910 120.208 115.700 -0.671 0.000 2.617 51 S HA 0.332 4.801 4.470 -0.001 0.000 0.283 51 S C -0.921 173.180 174.600 -0.831 0.000 1.189 51 S CA -0.867 56.986 58.200 -0.579 0.000 1.036 51 S CB 0.989 64.004 63.200 -0.309 0.000 1.014 51 S HN 0.716 nan 8.310 nan 0.000 0.522 52 N N 1.182 119.596 118.700 -0.477 0.000 2.577 52 N HA 0.274 5.014 4.740 -0.001 0.000 0.275 52 N C -0.329 175.107 175.510 -0.123 0.000 1.091 52 N CA -0.393 52.491 53.050 -0.277 0.000 0.843 52 N CB 1.017 39.441 38.487 -0.106 0.000 1.295 52 N HN 0.724 nan 8.380 nan 0.000 0.530 53 G N 2.283 111.025 108.800 -0.097 0.000 2.398 53 G HA2 0.358 4.317 3.960 -0.001 0.000 0.246 53 G HA3 0.358 4.317 3.960 -0.001 0.000 0.246 53 G C -0.726 174.182 174.900 0.012 0.000 1.289 53 G CA 0.246 45.291 45.100 -0.093 0.000 0.869 53 G HN 0.606 nan 8.290 nan 0.000 0.543 54 Y N 0.171 120.465 120.300 -0.010 0.000 2.677 54 Y HA 0.790 5.339 4.550 -0.001 0.000 0.334 54 Y C 0.633 176.532 175.900 -0.002 0.000 1.154 54 Y CA -1.797 56.300 58.100 -0.004 0.000 1.070 54 Y CB 0.712 39.172 38.460 -0.000 0.000 1.294 54 Y HN 0.849 nan 8.280 nan 0.000 0.475 55 R N -0.830 119.882 120.500 0.354 0.000 3.964 55 R HA -0.235 4.104 4.340 -0.001 0.000 0.391 55 R C -0.082 176.267 176.300 0.081 0.000 0.241 55 R CA 1.442 57.653 56.100 0.186 0.000 1.259 55 R CB -1.527 28.887 30.300 0.190 0.000 1.039 55 R HN 0.908 nan 8.270 nan 0.000 0.544 56 D N 0.399 120.827 120.400 0.046 0.000 2.417 56 D HA 0.090 4.729 4.640 -0.001 0.000 0.240 56 D C 0.717 177.024 176.300 0.012 0.000 1.062 56 D CA 1.403 55.417 54.000 0.023 0.000 0.959 56 D CB -0.073 40.736 40.800 0.015 0.000 0.877 56 D HN 0.514 nan 8.370 nan 0.000 0.528 57 A N -0.097 122.729 122.820 0.009 0.000 2.628 57 A HA 0.053 4.372 4.320 -0.001 0.000 0.267 57 A C 0.712 178.301 177.584 0.009 0.000 1.159 57 A CA -0.493 51.541 52.037 -0.005 0.000 0.972 57 A CB 0.033 19.009 19.000 -0.040 0.000 1.211 57 A HN 0.039 nan 8.150 nan 0.000 0.576 58 N N 1.535 120.261 118.700 0.043 0.000 2.394 58 N HA 0.269 5.008 4.740 -0.001 0.000 0.277 58 N C 1.134 176.654 175.510 0.016 0.000 1.346 58 N CA 1.897 54.981 53.050 0.058 0.000 0.910 58 N CB -0.221 38.306 38.487 0.066 0.000 1.201 58 N HN 0.893 nan 8.380 nan 0.000 0.488 59 G N 2.949 111.757 108.800 0.013 0.000 2.184 59 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.206 59 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.206 59 G C 0.030 174.903 174.900 -0.045 0.000 0.995 59 G CA -0.079 45.012 45.100 -0.015 0.000 0.651 59 G HN 0.550 nan 8.290 nan 0.000 0.511 60 I N 1.754 122.306 120.570 -0.030 0.000 2.330 60 I HA 0.379 4.549 4.170 -0.001 0.000 0.289 60 I C -0.133 176.004 176.117 0.033 0.000 1.001 60 I CA -0.589 60.706 61.300 -0.009 0.000 1.193 60 I CB 1.216 39.233 38.000 0.028 0.000 1.345 60 I HN 0.128 nan 8.210 nan 0.000 0.461 61 N N 4.051 122.794 118.700 0.072 0.000 2.265 61 N HA 0.668 5.408 4.740 -0.001 0.000 0.300 61 N C -1.290 174.244 175.510 0.040 0.000 1.148 61 N CA -0.795 52.263 53.050 0.012 0.000 0.772 61 N CB 2.337 40.865 38.487 0.069 0.000 1.434 61 N HN 0.559 nan 8.380 nan 0.000 0.481 62 S N 0.310 115.934 115.700 -0.127 0.000 2.540 62 S HA 0.480 4.949 4.470 -0.001 0.000 0.275 62 S C -1.399 173.114 174.600 -0.144 0.000 1.123 62 S CA -1.063 57.020 58.200 -0.195 0.000 0.907 62 S CB 1.330 64.339 63.200 -0.317 0.000 1.081 62 S HN 0.525 nan 8.310 nan 0.000 0.476 63 N N 0.910 119.550 118.700 -0.100 0.000 2.518 63 N HA 0.678 5.417 4.740 -0.001 0.000 0.254 63 N C -0.859 174.544 175.510 -0.178 0.000 0.979 63 N CA -0.327 52.694 53.050 -0.047 0.000 0.930 63 N CB 1.716 40.285 38.487 0.137 0.000 1.152 63 N HN 0.924 nan 8.380 nan 0.000 0.505 64 A N 1.477 124.120 122.820 -0.295 0.000 2.340 64 A HA 0.835 5.155 4.320 -0.001 0.000 0.331 64 A C -0.334 177.128 177.584 -0.204 0.000 1.140 64 A CA -0.460 51.437 52.037 -0.233 0.000 0.801 64 A CB 1.172 20.040 19.000 -0.220 0.000 1.234 64 A HN 0.402 nan 8.150 nan 0.000 0.469 65 T N 1.362 115.872 114.554 -0.073 0.000 2.937 65 T HA 0.623 4.973 4.350 -0.001 0.000 0.297 65 T C -0.546 174.155 174.700 0.002 0.000 0.991 65 T CA -0.140 61.967 62.100 0.012 0.000 0.990 65 T CB 1.007 69.929 68.868 0.090 0.000 0.991 65 T HN 1.238 nan 8.240 nan 0.000 0.440 66 S N 2.112 117.818 115.700 0.009 0.000 2.570 66 S HA 0.968 5.437 4.470 -0.001 0.000 0.286 66 S C -0.908 173.702 174.600 0.017 0.000 1.099 66 S CA -0.840 57.363 58.200 0.006 0.000 0.913 66 S CB 2.127 65.322 63.200 -0.008 0.000 1.085 66 S HN 0.999 nan 8.310 nan 0.000 0.480 67 A N 1.243 124.071 122.820 0.013 0.000 2.539 67 A HA 0.965 5.285 4.320 -0.001 0.000 0.296 67 A C -0.583 177.007 177.584 0.009 0.000 1.073 67 A CA -0.609 51.437 52.037 0.014 0.000 0.700 67 A CB 1.526 20.536 19.000 0.017 0.000 1.296 67 A HN 2.036 nan 8.150 nan 0.000 0.405 68 S N -0.177 115.528 115.700 0.008 0.000 2.537 68 S HA 0.596 5.066 4.470 -0.001 0.000 0.271 68 S C -1.522 173.081 174.600 0.005 0.000 1.148 68 S CA -0.526 57.677 58.200 0.006 0.000 0.868 68 S CB 1.188 64.390 63.200 0.004 0.000 1.115 68 S HN 1.287 nan 8.310 nan 0.000 0.461 69 L N 2.056 123.282 121.223 0.005 0.000 2.321 69 L HA 0.502 4.842 4.340 -0.001 0.000 0.272 69 L C -0.148 176.724 176.870 0.003 0.000 1.050 69 L CA 0.057 54.899 54.840 0.004 0.000 0.893 69 L CB 0.806 42.867 42.059 0.004 0.000 1.272 69 L HN 0.829 nan 8.230 nan 0.000 0.435 70 Q N 2.723 122.524 119.800 0.002 0.000 2.259 70 Q HA 0.635 4.975 4.340 -0.001 0.000 0.246 70 Q C -1.299 174.702 176.000 0.001 0.000 0.920 70 Q CA -0.206 55.598 55.803 0.002 0.000 0.895 70 Q CB 1.890 30.629 28.738 0.001 0.000 1.220 70 Q HN 0.594 nan 8.270 nan 0.000 0.439 71 L N 1.765 122.989 121.223 0.003 0.000 2.438 71 L HA 0.623 4.962 4.340 -0.001 0.000 0.270 71 L C -1.059 175.813 176.870 0.003 0.000 0.972 71 L CA -0.189 54.652 54.840 0.002 0.000 0.831 71 L CB 2.237 44.298 42.059 0.004 0.000 1.273 71 L HN 0.708 nan 8.230 nan 0.000 0.405 72 T N 1.591 116.145 114.554 -0.001 0.000 2.912 72 T HA 0.773 5.122 4.350 -0.001 0.000 0.288 72 T C -0.841 173.859 174.700 -0.000 0.000 1.030 72 T CA -0.498 61.602 62.100 0.000 0.000 1.020 72 T CB 1.792 70.657 68.868 -0.006 0.000 1.056 72 T HN 0.714 nan 8.240 nan 0.000 0.480 73 Q N 1.635 121.440 119.800 0.008 0.000 2.296 73 Q HA 0.466 4.806 4.340 -0.001 0.000 0.254 73 Q C -0.980 175.034 176.000 0.023 0.000 0.936 73 Q CA -0.290 55.520 55.803 0.011 0.000 0.834 73 Q CB 2.131 30.883 28.738 0.023 0.000 1.340 73 Q HN 0.806 nan 8.270 nan 0.000 0.428 74 S N 4.173 119.879 115.700 0.009 0.000 2.516 74 S HA 0.322 4.791 4.470 -0.001 0.000 0.282 74 S C 0.614 175.270 174.600 0.093 0.000 1.286 74 S CA 0.022 58.239 58.200 0.027 0.000 1.066 74 S CB 0.190 63.376 63.200 -0.023 0.000 0.884 74 S HN 0.758 nan 8.310 nan 0.000 0.491 75 I N 3.293 123.946 120.570 0.138 0.000 3.300 75 I HA 0.342 4.511 4.170 -0.001 0.000 0.279 75 I C -0.138 176.178 176.117 0.331 0.000 1.172 75 I CA 0.243 61.662 61.300 0.198 0.000 1.431 75 I CB 0.393 38.490 38.000 0.161 0.000 1.240 75 I HN 0.636 nan 8.210 nan 0.000 0.453 76 F N 1.377 121.400 119.950 0.122 0.000 3.034 76 F HA 0.373 4.899 4.527 -0.001 0.000 0.371 76 F C -1.441 174.429 175.800 0.118 0.000 1.233 76 F CA -0.728 57.354 58.000 0.136 0.000 1.134 76 F CB 0.886 39.942 39.000 0.095 0.000 1.495 76 F HN -0.212 nan 8.300 nan 0.000 0.563 77 D N 6.428 126.636 120.400 -0.321 0.000 2.346 77 D HA 0.129 4.768 4.640 -0.001 0.000 0.255 77 D C 0.627 176.779 176.300 -0.247 0.000 1.276 77 D CA -0.247 53.549 54.000 -0.340 0.000 0.941 77 D CB 1.540 42.259 40.800 -0.135 0.000 1.199 77 D HN 0.653 nan 8.370 nan 0.000 0.537 78 M N 2.455 121.759 119.600 -0.494 0.000 2.159 78 M HA -0.150 4.330 4.480 -0.001 0.000 0.263 78 M C 1.982 178.270 176.300 -0.019 0.000 1.063 78 M CA 1.707 56.885 55.300 -0.203 0.000 1.110 78 M CB -0.473 31.981 32.600 -0.244 0.000 1.374 78 M HN 0.332 nan 8.290 nan 0.000 0.411 79 S N -0.460 115.189 115.700 -0.086 0.000 2.400 79 S HA -0.186 4.284 4.470 -0.001 0.000 0.232 79 S C 1.888 176.464 174.600 -0.041 0.000 1.025 79 S CA 1.389 59.555 58.200 -0.057 0.000 0.993 79 S CB -0.573 62.576 63.200 -0.085 0.000 0.808 79 S HN 0.647 nan 8.310 nan 0.000 0.478 80 K N -0.748 119.617 120.400 -0.059 0.000 2.305 80 K HA 0.049 4.369 4.320 -0.001 0.000 0.199 80 K C 1.582 178.087 176.600 -0.158 0.000 1.047 80 K CA 0.861 57.070 56.287 -0.130 0.000 0.976 80 K CB -0.187 32.192 32.500 -0.203 0.000 0.765 80 K HN 0.525 nan 8.250 nan 0.000 0.474 81 W N 1.190 122.443 121.300 -0.078 0.000 2.476 81 W HA -0.022 4.638 4.660 -0.001 0.000 0.281 81 W C 2.384 178.876 176.519 -0.045 0.000 1.230 81 W CA 0.346 57.661 57.345 -0.049 0.000 1.287 81 W CB 0.083 29.520 29.460 -0.039 0.000 1.108 81 W HN -0.017 nan 8.180 nan 0.000 0.567 82 R N 1.025 121.621 120.500 0.161 0.000 2.075 82 R HA -0.059 4.280 4.340 -0.001 0.000 0.232 82 R C 2.145 178.463 176.300 0.029 0.000 1.126 82 R CA 1.945 58.092 56.100 0.078 0.000 0.963 82 R CB -0.985 29.336 30.300 0.034 0.000 0.858 82 R HN 0.031 nan 8.270 nan 0.000 0.435 83 A N 0.551 123.367 122.820 -0.006 0.000 1.902 83 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 83 A C 2.020 179.582 177.584 -0.037 0.000 1.181 83 A CA 1.456 53.473 52.037 -0.033 0.000 0.623 83 A CB -0.757 18.208 19.000 -0.058 0.000 0.818 83 A HN 0.368 nan 8.150 nan 0.000 0.443 84 L N -0.401 120.796 121.223 -0.043 0.000 2.079 84 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 84 L C 2.399 179.270 176.870 0.000 0.000 1.081 84 L CA 2.780 57.595 54.840 -0.042 0.000 0.752 84 L CB -1.106 40.912 42.059 -0.068 0.000 0.896 84 L HN 0.338 nan 8.230 nan 0.000 0.433 85 T N -0.511 114.067 114.554 0.039 0.000 2.777 85 T HA -0.096 4.253 4.350 -0.001 0.000 0.266 85 T C 1.908 176.610 174.700 0.003 0.000 1.040 85 T CA 1.618 63.743 62.100 0.042 0.000 1.141 85 T CB -0.176 68.733 68.868 0.068 0.000 0.868 85 T HN 0.311 nan 8.240 nan 0.000 0.444 86 L N 0.718 121.937 121.223 -0.007 0.000 2.093 86 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 86 L C 2.764 179.605 176.870 -0.048 0.000 1.085 86 L CA 1.048 55.875 54.840 -0.022 0.000 0.755 86 L CB -0.446 41.601 42.059 -0.020 0.000 0.904 86 L HN 0.220 nan 8.230 nan 0.000 0.435 87 Q N 0.659 120.424 119.800 -0.058 0.000 2.167 87 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 87 Q C 1.912 177.832 176.000 -0.134 0.000 0.970 87 Q CA 1.502 57.251 55.803 -0.089 0.000 0.855 87 Q CB 0.026 28.715 28.738 -0.082 0.000 0.911 87 Q HN 0.411 nan 8.270 nan 0.000 0.438 88 E N -0.231 119.907 120.200 -0.105 0.000 2.085 88 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 88 E C 1.869 178.378 176.600 -0.152 0.000 0.994 88 E CA 1.321 57.642 56.400 -0.131 0.000 0.801 88 E CB 0.042 29.713 29.700 -0.049 0.000 0.743 88 E HN 0.284 nan 8.360 nan 0.000 0.453 89 K N 0.178 120.525 120.400 -0.088 0.000 2.025 89 K HA -0.090 4.229 4.320 -0.001 0.000 0.207 89 K C 2.248 178.794 176.600 -0.091 0.000 1.049 89 K CA 0.992 57.239 56.287 -0.066 0.000 0.933 89 K CB -0.172 32.312 32.500 -0.025 0.000 0.714 89 K HN 0.054 nan 8.250 nan 0.000 0.438 90 A N 1.718 124.479 122.820 -0.098 0.000 1.948 90 A HA -0.206 4.113 4.320 -0.001 0.000 0.220 90 A C 2.379 179.860 177.584 -0.170 0.000 1.177 90 A CA 2.082 54.057 52.037 -0.102 0.000 0.636 90 A CB -0.743 18.206 19.000 -0.085 0.000 0.815 90 A HN 0.372 nan 8.150 nan 0.000 0.449 91 A N -0.591 122.034 122.820 -0.325 0.000 1.902 91 A HA 0.126 4.445 4.320 -0.001 0.000 0.217 91 A C 2.439 179.722 177.584 -0.501 0.000 1.181 91 A CA 1.931 53.573 52.037 -0.657 0.000 0.623 91 A CB -1.409 16.806 19.000 -1.308 0.000 0.818 91 A HN 0.771 nan 8.150 nan 0.000 0.443 92 G N -0.019 108.608 108.800 -0.288 0.000 2.440 92 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.218 92 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.218 92 G C 1.537 176.453 174.900 0.027 0.000 1.154 92 G CA 1.117 46.198 45.100 -0.033 0.000 0.767 92 G HN 0.472 nan 8.290 nan 0.000 0.552 93 I N -0.027 120.535 120.570 -0.013 0.000 2.179 93 I HA -0.196 3.973 4.170 -0.001 0.000 0.242 93 I C 2.876 179.021 176.117 0.047 0.000 1.088 93 I CA 1.368 62.678 61.300 0.017 0.000 1.357 93 I CB -0.192 37.808 38.000 -0.000 0.000 1.051 93 I HN 0.180 nan 8.210 nan 0.000 0.409 94 Q N 0.921 120.743 119.800 0.035 0.000 2.181 94 Q HA -0.282 4.058 4.340 -0.001 0.000 0.205 94 Q C 1.589 177.691 176.000 0.170 0.000 0.980 94 Q CA 2.006 57.859 55.803 0.084 0.000 0.862 94 Q CB -0.306 28.468 28.738 0.059 0.000 0.905 94 Q HN 0.471 nan 8.270 nan 0.000 0.429 95 D N -1.886 118.648 120.400 0.224 0.000 2.183 95 D HA -0.077 4.562 4.640 -0.001 0.000 0.203 95 D C 1.569 177.997 176.300 0.214 0.000 0.969 95 D CA 0.787 54.955 54.000 0.280 0.000 0.842 95 D CB 0.233 41.248 40.800 0.359 0.000 0.957 95 D HN 0.145 nan 8.370 nan 0.000 0.484 96 V N -0.127 119.875 119.914 0.147 0.000 2.427 96 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 96 V C 2.417 178.565 176.094 0.090 0.000 1.051 96 V CA 1.885 64.246 62.300 0.100 0.000 1.048 96 V CB -0.590 31.273 31.823 0.065 0.000 0.666 96 V HN 0.301 nan 8.190 nan 0.000 0.456 97 T N -0.870 113.744 114.554 0.101 0.000 2.684 97 T HA -0.257 4.093 4.350 -0.001 0.000 0.267 97 T C 1.753 176.526 174.700 0.121 0.000 1.036 97 T CA 2.203 64.358 62.100 0.091 0.000 1.148 97 T CB -0.374 68.546 68.868 0.086 0.000 0.863 97 T HN 0.562 nan 8.240 nan 0.000 0.436 98 Y N 1.807 122.134 120.300 0.045 0.000 2.128 98 Y HA -0.207 4.342 4.550 -0.001 0.000 0.284 98 Y C 2.612 178.532 175.900 0.033 0.000 1.154 98 Y CA 1.499 59.623 58.100 0.040 0.000 1.149 98 Y CB -0.531 37.957 38.460 0.047 0.000 0.976 98 Y HN 0.253 nan 8.280 nan 0.000 0.505 99 Q N -1.007 118.823 119.800 0.050 0.000 2.112 99 Q HA -0.230 4.109 4.340 -0.001 0.000 0.206 99 Q C 2.155 178.099 176.000 -0.093 0.000 0.987 99 Q CA 2.485 58.264 55.803 -0.040 0.000 0.858 99 Q CB -0.339 28.424 28.738 0.041 0.000 0.905 99 Q HN 0.455 nan 8.270 nan 0.000 0.420 100 T N 0.804 115.329 114.554 -0.048 0.000 2.746 100 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 100 T C 1.077 175.729 174.700 -0.080 0.000 1.039 100 T CA 1.480 63.552 62.100 -0.047 0.000 1.142 100 T CB -0.235 68.624 68.868 -0.015 0.000 0.866 100 T HN 0.245 nan 8.240 nan 0.000 0.444 101 D N 0.996 121.329 120.400 -0.112 0.000 2.144 101 D HA -0.036 4.603 4.640 -0.001 0.000 0.200 101 D C 2.367 178.553 176.300 -0.190 0.000 0.978 101 D CA 0.777 54.703 54.000 -0.123 0.000 0.833 101 D CB -0.289 40.459 40.800 -0.087 0.000 0.961 101 D HN 0.441 nan 8.370 nan 0.000 0.470 102 Q N 0.272 119.870 119.800 -0.336 0.000 2.077 102 Q HA -0.206 4.133 4.340 -0.001 0.000 0.206 102 Q C 2.233 178.168 176.000 -0.109 0.000 0.989 102 Q CA 1.293 56.928 55.803 -0.279 0.000 0.853 102 Q CB -0.086 28.456 28.738 -0.326 0.000 0.907 102 Q HN 0.419 nan 8.270 nan 0.000 0.418 103 Q N -0.527 119.214 119.800 -0.099 0.000 2.050 103 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 103 Q C 2.155 178.127 176.000 -0.047 0.000 0.980 103 Q CA 1.727 57.491 55.803 -0.064 0.000 0.840 103 Q CB -0.064 28.640 28.738 -0.057 0.000 0.898 103 Q HN 0.369 nan 8.270 nan 0.000 0.424 104 T N 1.582 116.109 114.554 -0.045 0.000 2.803 104 T HA -0.164 4.185 4.350 -0.001 0.000 0.269 104 T C 1.711 176.405 174.700 -0.010 0.000 1.052 104 T CA 0.917 63.001 62.100 -0.027 0.000 1.136 104 T CB -0.245 68.609 68.868 -0.024 0.000 0.864 104 T HN 0.110 nan 8.240 nan 0.000 0.467 105 L N 0.929 122.152 121.223 0.000 0.000 2.012 105 L HA -0.007 4.332 4.340 -0.001 0.000 0.210 105 L C 2.122 179.049 176.870 0.094 0.000 1.073 105 L CA 1.536 56.406 54.840 0.050 0.000 0.748 105 L CB -0.618 41.481 42.059 0.067 0.000 0.891 105 L HN 0.290 nan 8.230 nan 0.000 0.431 106 I N -1.360 119.246 120.570 0.060 0.000 2.127 106 I HA -0.312 3.857 4.170 -0.001 0.000 0.241 106 I C 2.349 178.415 176.117 -0.084 0.000 1.075 106 I CA 1.304 62.556 61.300 -0.080 0.000 1.334 106 I CB -0.409 37.462 38.000 -0.216 0.000 1.040 106 I HN 0.292 nan 8.210 nan 0.000 0.405 107 L N 0.998 122.188 121.223 -0.056 0.000 2.131 107 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 107 L C 1.984 178.839 176.870 -0.025 0.000 1.092 107 L CA 1.900 56.717 54.840 -0.040 0.000 0.759 107 L CB -0.778 41.267 42.059 -0.023 0.000 0.903 107 L HN 0.205 nan 8.230 nan 0.000 0.435 108 N N -1.516 117.177 118.700 -0.012 0.000 2.300 108 N HA -0.079 4.660 4.740 -0.001 0.000 0.179 108 N C 1.646 177.150 175.510 -0.010 0.000 1.016 108 N CA 1.519 54.566 53.050 -0.004 0.000 0.876 108 N CB -0.266 38.222 38.487 0.003 0.000 0.979 108 N HN 0.356 nan 8.380 nan 0.000 0.432 109 T N 0.280 114.831 114.554 -0.005 0.000 2.770 109 T HA 0.035 4.385 4.350 -0.001 0.000 0.263 109 T C 1.973 176.616 174.700 -0.095 0.000 1.039 109 T CA 1.195 63.290 62.100 -0.007 0.000 1.142 109 T CB -0.367 68.548 68.868 0.079 0.000 0.868 109 T HN 0.260 nan 8.240 nan 0.000 0.435 110 A N 1.514 124.236 122.820 -0.163 0.000 1.877 110 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 110 A C 2.561 179.988 177.584 -0.262 0.000 1.186 110 A CA 2.145 53.983 52.037 -0.332 0.000 0.620 110 A CB -1.395 17.463 19.000 -0.237 0.000 0.822 110 A HN 0.447 nan 8.150 nan 0.000 0.443 111 T N 0.207 114.719 114.554 -0.070 0.000 2.684 111 T HA -0.069 4.281 4.350 -0.001 0.000 0.267 111 T C 2.224 176.921 174.700 -0.006 0.000 1.036 111 T CA 1.820 63.932 62.100 0.019 0.000 1.148 111 T CB -0.486 68.402 68.868 0.034 0.000 0.863 111 T HN 0.613 nan 8.240 nan 0.000 0.436 112 A N 0.265 123.067 122.820 -0.029 0.000 1.902 112 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 112 A C 2.081 179.628 177.584 -0.061 0.000 1.181 112 A CA 1.620 53.639 52.037 -0.030 0.000 0.623 112 A CB -1.070 17.918 19.000 -0.020 0.000 0.818 112 A HN 0.602 nan 8.150 nan 0.000 0.443 113 Y N -0.460 119.681 120.300 -0.264 0.000 2.128 113 Y HA -0.249 4.300 4.550 -0.001 0.000 0.284 113 Y C 1.876 177.582 175.900 -0.323 0.000 1.154 113 Y CA 2.165 60.051 58.100 -0.357 0.000 1.149 113 Y CB -0.358 37.778 38.460 -0.541 0.000 0.976 113 Y HN 0.297 nan 8.280 nan 0.000 0.505 114 F N 0.002 119.968 119.950 0.027 0.000 2.367 114 F HA -0.098 4.429 4.527 -0.001 0.000 0.298 114 F C 2.029 177.607 175.800 -0.369 0.000 1.094 114 F CA 0.845 58.688 58.000 -0.263 0.000 1.409 114 F CB -1.090 37.793 39.000 -0.195 0.000 1.064 114 F HN 0.080 nan 8.300 nan 0.000 0.528 115 N N 0.143 118.824 118.700 -0.032 0.000 2.364 115 N HA -0.112 4.627 4.740 -0.001 0.000 0.183 115 N C 2.075 177.521 175.510 -0.105 0.000 1.022 115 N CA 0.768 53.786 53.050 -0.054 0.000 0.883 115 N CB -0.411 38.067 38.487 -0.015 0.000 0.965 115 N HN 0.123 nan 8.380 nan 0.000 0.438 116 V N 0.926 120.745 119.914 -0.158 0.000 2.331 116 V HA -0.036 4.084 4.120 -0.001 0.000 0.242 116 V C 2.308 178.275 176.094 -0.213 0.000 1.034 116 V CA 0.742 62.935 62.300 -0.178 0.000 1.027 116 V CB -0.372 31.314 31.823 -0.228 0.000 0.667 116 V HN 0.228 nan 8.190 nan 0.000 0.457 117 L N 0.490 121.532 121.223 -0.301 0.000 2.089 117 L HA -0.268 4.071 4.340 -0.001 0.000 0.213 117 L C 2.344 179.084 176.870 -0.216 0.000 1.079 117 L CA 2.193 56.861 54.840 -0.286 0.000 0.758 117 L CB -0.726 41.121 42.059 -0.354 0.000 0.891 117 L HN 0.467 nan 8.230 nan 0.000 0.433 118 N N -0.090 118.447 118.700 -0.272 0.000 2.173 118 N HA -0.083 4.656 4.740 -0.001 0.000 0.184 118 N C 1.817 177.312 175.510 -0.024 0.000 1.025 118 N CA 1.241 54.279 53.050 -0.020 0.000 0.852 118 N CB -0.045 38.451 38.487 0.016 0.000 0.998 118 N HN 0.231 nan 8.380 nan 0.000 0.427 119 A N 0.507 123.292 122.820 -0.059 0.000 1.978 119 A HA -0.109 4.211 4.320 -0.001 0.000 0.220 119 A C 2.209 179.755 177.584 -0.064 0.000 1.170 119 A CA 1.030 53.038 52.037 -0.049 0.000 0.636 119 A CB -0.737 18.234 19.000 -0.050 0.000 0.810 119 A HN 0.402 nan 8.150 nan 0.000 0.448 120 I N -0.621 119.898 120.570 -0.084 0.000 2.193 120 I HA -0.187 3.982 4.170 -0.001 0.000 0.240 120 I C 1.989 178.020 176.117 -0.143 0.000 1.084 120 I CA 1.396 62.638 61.300 -0.096 0.000 1.365 120 I CB -0.475 37.467 38.000 -0.095 0.000 1.064 120 I HN 0.225 nan 8.210 nan 0.000 0.410 121 D N 0.679 120.984 120.400 -0.158 0.000 2.116 121 D HA -0.160 4.479 4.640 -0.001 0.000 0.193 121 D C 2.314 178.356 176.300 -0.431 0.000 0.998 121 D CA 1.209 54.984 54.000 -0.375 0.000 0.836 121 D CB -0.349 40.310 40.800 -0.235 0.000 0.951 121 D HN 0.097 nan 8.370 nan 0.000 0.449 122 V N 0.880 120.704 119.914 -0.150 0.000 2.287 122 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 122 V C 2.512 178.586 176.094 -0.033 0.000 1.053 122 V CA 1.122 63.403 62.300 -0.032 0.000 1.027 122 V CB -0.485 31.346 31.823 0.014 0.000 0.646 122 V HN 0.130 nan 8.190 nan 0.000 0.447 123 L N 1.071 122.256 121.223 -0.063 0.000 1.956 123 L HA -0.239 4.101 4.340 -0.001 0.000 0.216 123 L C 2.844 179.687 176.870 -0.045 0.000 1.073 123 L CA 2.776 57.586 54.840 -0.050 0.000 0.762 123 L CB -0.868 41.157 42.059 -0.058 0.000 0.889 123 L HN 0.539 nan 8.230 nan 0.000 0.433 124 S N -1.766 113.877 115.700 -0.095 0.000 2.400 124 S HA -0.255 4.214 4.470 -0.001 0.000 0.232 124 S C 2.034 176.681 174.600 0.080 0.000 1.025 124 S CA 1.427 59.593 58.200 -0.056 0.000 0.993 124 S CB -0.989 62.146 63.200 -0.108 0.000 0.808 124 S HN 0.506 nan 8.310 nan 0.000 0.478 125 Y N 2.359 122.702 120.300 0.070 0.000 2.220 125 Y HA 0.077 4.627 4.550 -0.001 0.000 0.291 125 Y C 3.087 179.016 175.900 0.048 0.000 1.129 125 Y CA 0.726 58.920 58.100 0.157 0.000 1.161 125 Y CB -1.516 37.054 38.460 0.183 0.000 0.997 125 Y HN 0.296 nan 8.280 nan 0.000 0.522 126 T N -0.057 114.580 114.554 0.140 0.000 2.915 126 T HA -0.164 4.186 4.350 -0.001 0.000 0.269 126 T C 1.790 176.452 174.700 -0.065 0.000 1.071 126 T CA 1.237 63.340 62.100 0.005 0.000 1.132 126 T CB -0.136 68.727 68.868 -0.009 0.000 0.878 126 T HN 0.425 nan 8.240 nan 0.000 0.479 127 Q N 0.497 120.281 119.800 -0.027 0.000 2.083 127 Q HA 0.090 4.429 4.340 -0.001 0.000 0.198 127 Q C 2.742 178.710 176.000 -0.052 0.000 0.969 127 Q CA 1.221 56.998 55.803 -0.044 0.000 0.838 127 Q CB -0.227 28.500 28.738 -0.019 0.000 0.900 127 Q HN 0.532 nan 8.270 nan 0.000 0.436 128 A N 0.961 123.777 122.820 -0.007 0.000 2.015 128 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 128 A C 1.968 179.340 177.584 -0.353 0.000 1.163 128 A CA 1.501 53.532 52.037 -0.011 0.000 0.646 128 A CB -0.437 18.730 19.000 0.279 0.000 0.806 128 A HN 0.399 nan 8.150 nan 0.000 0.448 129 Q N -0.072 119.346 119.800 -0.637 0.000 2.049 129 Q HA -0.176 4.163 4.340 -0.001 0.000 0.198 129 Q C 2.132 177.935 176.000 -0.328 0.000 0.971 129 Q CA 1.700 57.017 55.803 -0.811 0.000 0.833 129 Q CB -0.198 28.143 28.738 -0.662 0.000 0.896 129 Q HN 0.656 nan 8.270 nan 0.000 0.434 130 K N 0.774 121.046 120.400 -0.212 0.000 1.977 130 K HA -0.289 4.030 4.320 -0.001 0.000 0.218 130 K C 2.073 178.698 176.600 0.042 0.000 1.051 130 K CA 1.989 58.205 56.287 -0.118 0.000 0.953 130 K CB -0.361 32.044 32.500 -0.158 0.000 0.727 130 K HN 0.327 nan 8.250 nan 0.000 0.445 131 E N -0.136 120.070 120.200 0.011 0.000 2.147 131 E HA -0.248 4.102 4.350 -0.001 0.000 0.199 131 E C 1.669 178.330 176.600 0.101 0.000 1.005 131 E CA 1.343 57.785 56.400 0.070 0.000 0.810 131 E CB -0.178 29.540 29.700 0.030 0.000 0.736 131 E HN 0.475 nan 8.360 nan 0.000 0.460 132 A N 0.868 123.702 122.820 0.023 0.000 1.968 132 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 132 A C 2.148 179.761 177.584 0.049 0.000 1.169 132 A CA 1.006 53.063 52.037 0.034 0.000 0.638 132 A CB -0.386 18.613 19.000 -0.002 0.000 0.812 132 A HN 0.348 nan 8.150 nan 0.000 0.446 133 I N -2.146 118.466 120.570 0.070 0.000 2.439 133 I HA -0.202 3.967 4.170 -0.001 0.000 0.251 133 I C 2.390 178.583 176.117 0.126 0.000 1.139 133 I CA 1.194 62.554 61.300 0.100 0.000 1.438 133 I CB -0.403 37.699 38.000 0.170 0.000 1.085 133 I HN 0.460 nan 8.210 nan 0.000 0.427 134 Y N 2.138 122.481 120.300 0.072 0.000 2.097 134 Y HA -0.255 4.294 4.550 -0.001 0.000 0.282 134 Y C 2.756 178.619 175.900 -0.062 0.000 1.152 134 Y CA 1.741 59.801 58.100 -0.066 0.000 1.136 134 Y CB -0.259 38.204 38.460 0.004 0.000 0.975 134 Y HN -0.046 nan 8.280 nan 0.000 0.498 135 R N -0.339 120.214 120.500 0.088 0.000 2.120 135 R HA -0.189 4.150 4.340 -0.001 0.000 0.234 135 R C 2.206 178.490 176.300 -0.027 0.000 1.123 135 R CA 1.764 57.877 56.100 0.022 0.000 0.975 135 R CB -0.256 30.089 30.300 0.075 0.000 0.866 135 R HN 0.528 nan 8.270 nan 0.000 0.446 136 Q N -0.128 119.646 119.800 -0.043 0.000 2.311 136 Q HA -0.061 4.278 4.340 -0.001 0.000 0.203 136 Q C 1.783 177.719 176.000 -0.106 0.000 0.954 136 Q CA 0.539 56.288 55.803 -0.090 0.000 0.885 136 Q CB 0.155 28.790 28.738 -0.172 0.000 0.963 136 Q HN 0.186 nan 8.270 nan 0.000 0.471 137 L N 0.499 121.631 121.223 -0.152 0.000 2.240 137 L HA -0.040 4.300 4.340 -0.001 0.000 0.211 137 L C 1.277 178.026 176.870 -0.203 0.000 1.106 137 L CA 1.478 56.199 54.840 -0.198 0.000 0.793 137 L CB 0.257 42.129 42.059 -0.312 0.000 0.927 137 L HN 0.006 nan 8.230 nan 0.000 0.446 138 D N -1.166 119.097 120.400 -0.228 0.000 2.342 138 D HA -0.041 4.598 4.640 -0.001 0.000 0.221 138 D C 1.423 177.693 176.300 -0.049 0.000 1.101 138 D CA 0.233 54.122 54.000 -0.185 0.000 0.837 138 D CB 0.576 41.219 40.800 -0.262 0.000 0.938 138 D HN 0.512 nan 8.370 nan 0.000 0.508 139 Q N -0.870 118.946 119.800 0.028 0.000 2.353 139 Q HA 0.021 4.360 4.340 -0.001 0.000 0.240 139 Q C 1.409 177.517 176.000 0.181 0.000 0.868 139 Q CA 0.321 56.193 55.803 0.115 0.000 0.944 139 Q CB 0.635 29.495 28.738 0.204 0.000 1.104 139 Q HN -0.034 nan 8.270 nan 0.000 0.531 140 T N -0.968 113.705 114.554 0.198 0.000 3.107 140 T HA 0.065 4.414 4.350 -0.001 0.000 0.249 140 T C 1.131 175.900 174.700 0.115 0.000 1.096 140 T CA 0.937 63.170 62.100 0.222 0.000 1.012 140 T CB 0.214 69.204 68.868 0.204 0.000 0.977 140 T HN 0.081 nan 8.240 nan 0.000 0.527 141 T N 0.539 115.124 114.554 0.053 0.000 3.044 141 T HA 0.286 4.635 4.350 -0.001 0.000 0.260 141 T C 1.094 175.841 174.700 0.078 0.000 1.019 141 T CA -0.055 62.073 62.100 0.046 0.000 0.921 141 T CB 0.119 68.954 68.868 -0.055 0.000 1.053 141 T HN 0.389 nan 8.240 nan 0.000 0.533 142 Q N -0.300 119.538 119.800 0.063 0.000 2.139 142 Q HA 0.341 4.680 4.340 -0.001 0.000 0.219 142 Q C 1.402 177.423 176.000 0.035 0.000 0.805 142 Q CA -0.095 55.733 55.803 0.042 0.000 1.024 142 Q CB 0.931 29.678 28.738 0.016 0.000 1.163 142 Q HN 0.231 nan 8.270 nan 0.000 0.485 143 R N -1.216 119.322 120.500 0.063 0.000 2.435 143 R HA 0.137 4.476 4.340 -0.001 0.000 0.221 143 R C 1.349 177.687 176.300 0.064 0.000 0.885 143 R CA -0.020 56.095 56.100 0.025 0.000 1.018 143 R CB 0.336 30.621 30.300 -0.025 0.000 1.259 143 R HN 0.084 nan 8.270 nan 0.000 0.597 144 F N 2.283 122.224 119.950 -0.015 0.000 2.206 144 F HA -0.009 4.517 4.527 -0.001 0.000 0.298 144 F C 1.523 177.314 175.800 -0.016 0.000 1.090 144 F CA 1.284 59.278 58.000 -0.011 0.000 1.323 144 F CB 0.044 39.041 39.000 -0.004 0.000 1.028 144 F HN -0.125 nan 8.300 nan 0.000 0.492 145 N N 0.469 119.191 118.700 0.036 0.000 2.272 145 N HA -0.125 4.615 4.740 -0.001 0.000 0.185 145 N C 1.469 176.896 175.510 -0.138 0.000 1.014 145 N CA 1.555 54.566 53.050 -0.065 0.000 0.870 145 N CB -0.362 38.146 38.487 0.035 0.000 0.975 145 N HN 0.274 nan 8.380 nan 0.000 0.433 146 V N -1.194 118.655 119.914 -0.108 0.000 3.514 146 V HA 0.358 4.477 4.120 -0.001 0.000 0.301 146 V C 1.569 177.586 176.094 -0.128 0.000 1.346 146 V CA 0.581 62.822 62.300 -0.098 0.000 1.156 146 V CB -0.220 31.566 31.823 -0.061 0.000 1.029 146 V HN 0.400 nan 8.190 nan 0.000 0.428 147 G N 1.941 110.617 108.800 -0.207 0.000 2.284 147 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.230 147 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.230 147 G C 0.520 175.332 174.900 -0.147 0.000 1.021 147 G CA 0.181 45.152 45.100 -0.215 0.000 0.619 147 G HN 0.698 nan 8.290 nan 0.000 0.510 148 L N 0.184 121.352 121.223 -0.092 0.000 2.805 148 L HA 0.822 5.162 4.340 -0.001 0.000 0.237 148 L C 0.414 177.279 176.870 -0.009 0.000 1.252 148 L CA -0.421 54.389 54.840 -0.051 0.000 1.064 148 L CB 0.706 42.732 42.059 -0.056 0.000 1.361 148 L HN 0.895 nan 8.230 nan 0.000 0.474 149 V N -1.001 118.935 119.914 0.037 0.000 2.817 149 V HA 0.902 5.021 4.120 -0.001 0.000 0.303 149 V C 0.110 176.353 176.094 0.248 0.000 1.151 149 V CA -0.248 62.131 62.300 0.132 0.000 0.929 149 V CB 1.530 33.451 31.823 0.164 0.000 1.030 149 V HN 0.421 nan 8.190 nan 0.000 0.427 150 A N 5.148 128.082 122.820 0.190 0.000 2.425 150 A HA 0.450 4.769 4.320 -0.001 0.000 0.242 150 A C 1.114 178.856 177.584 0.265 0.000 1.077 150 A CA 0.430 52.592 52.037 0.209 0.000 0.781 150 A CB 0.256 19.324 19.000 0.114 0.000 1.020 150 A HN 1.541 nan 8.150 nan 0.000 0.494 151 I N 1.129 121.868 120.570 0.281 0.000 2.493 151 I HA -0.171 3.998 4.170 -0.001 0.000 0.254 151 I C 2.281 178.358 176.117 -0.066 0.000 1.160 151 I CA 2.005 63.324 61.300 0.031 0.000 1.445 151 I CB 0.008 38.061 38.000 0.089 0.000 1.086 151 I HN 0.859 nan 8.210 nan 0.000 0.433 152 T N -3.450 111.110 114.554 0.010 0.000 3.085 152 T HA -0.064 4.286 4.350 -0.001 0.000 0.263 152 T C 1.407 176.102 174.700 -0.008 0.000 1.127 152 T CA 0.676 62.773 62.100 -0.006 0.000 1.103 152 T CB -0.299 68.578 68.868 0.014 0.000 0.921 152 T HN 0.254 nan 8.240 nan 0.000 0.510 153 D N 0.666 121.070 120.400 0.007 0.000 2.289 153 D HA 0.094 4.733 4.640 -0.001 0.000 0.207 153 D C 1.953 178.236 176.300 -0.028 0.000 0.966 153 D CA 0.329 54.338 54.000 0.016 0.000 0.868 153 D CB 0.252 41.094 40.800 0.071 0.000 0.943 153 D HN 0.312 nan 8.370 nan 0.000 0.514 154 V N 0.467 120.321 119.914 -0.100 0.000 2.992 154 V HA -0.052 4.068 4.120 -0.001 0.000 0.250 154 V C 2.240 178.251 176.094 -0.138 0.000 1.090 154 V CA 0.810 63.012 62.300 -0.164 0.000 1.101 154 V CB 0.083 31.696 31.823 -0.350 0.000 0.743 154 V HN 0.109 nan 8.190 nan 0.000 0.468 155 Q N -0.163 119.569 119.800 -0.115 0.000 2.123 155 Q HA -0.141 4.198 4.340 -0.001 0.000 0.199 155 Q C 2.177 178.152 176.000 -0.043 0.000 0.966 155 Q CA 1.201 56.958 55.803 -0.077 0.000 0.845 155 Q CB -0.222 28.479 28.738 -0.062 0.000 0.907 155 Q HN 0.575 nan 8.270 nan 0.000 0.439 156 N N 0.877 119.557 118.700 -0.034 0.000 2.084 156 N HA -0.142 4.597 4.740 -0.001 0.000 0.190 156 N C 1.657 177.158 175.510 -0.016 0.000 1.030 156 N CA 1.485 54.525 53.050 -0.018 0.000 0.849 156 N CB 0.026 38.506 38.487 -0.011 0.000 1.012 156 N HN 0.191 nan 8.380 nan 0.000 0.423 157 A N 1.089 123.892 122.820 -0.030 0.000 2.015 157 A HA -0.061 4.258 4.320 -0.001 0.000 0.219 157 A C 2.313 179.894 177.584 -0.004 0.000 1.163 157 A CA 0.748 52.769 52.037 -0.028 0.000 0.646 157 A CB -0.334 18.633 19.000 -0.055 0.000 0.806 157 A HN 0.202 nan 8.150 nan 0.000 0.448 158 R N -0.402 120.086 120.500 -0.019 0.000 2.100 158 R HA 0.076 4.416 4.340 -0.001 0.000 0.220 158 R C 2.232 178.572 176.300 0.067 0.000 1.091 158 R CA 1.213 57.320 56.100 0.011 0.000 0.986 158 R CB -0.483 29.795 30.300 -0.037 0.000 0.888 158 R HN 0.430 nan 8.270 nan 0.000 0.444 159 A N 0.580 123.419 122.820 0.030 0.000 2.019 159 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 159 A C 2.004 179.611 177.584 0.037 0.000 1.164 159 A CA 1.113 53.168 52.037 0.030 0.000 0.644 159 A CB -0.319 18.686 19.000 0.009 0.000 0.805 159 A HN 0.394 nan 8.150 nan 0.000 0.449 160 Q N -2.371 117.455 119.800 0.044 0.000 2.212 160 Q HA -0.089 4.250 4.340 -0.001 0.000 0.199 160 Q C 1.784 177.821 176.000 0.062 0.000 0.950 160 Q CA 1.050 56.874 55.803 0.035 0.000 0.863 160 Q CB -0.101 28.649 28.738 0.019 0.000 0.944 160 Q HN 0.844 nan 8.270 nan 0.000 0.465 161 Y N 1.152 121.438 120.300 -0.023 0.000 2.314 161 Y HA -0.165 4.385 4.550 -0.001 0.000 0.293 161 Y C 1.451 177.348 175.900 -0.005 0.000 1.129 161 Y CA 1.432 59.527 58.100 -0.009 0.000 1.201 161 Y CB 0.153 38.623 38.460 0.016 0.000 0.999 161 Y HN 0.105 nan 8.280 nan 0.000 0.541 162 D N -0.675 119.783 120.400 0.097 0.000 2.178 162 D HA -0.141 4.498 4.640 -0.001 0.000 0.201 162 D C 2.030 178.287 176.300 -0.072 0.000 0.980 162 D CA 1.716 55.722 54.000 0.010 0.000 0.842 162 D CB -0.208 40.628 40.800 0.059 0.000 0.948 162 D HN 0.359 nan 8.370 nan 0.000 0.472 163 T N -0.055 114.463 114.554 -0.059 0.000 2.770 163 T HA -0.089 4.260 4.350 -0.001 0.000 0.263 163 T C 2.021 176.655 174.700 -0.110 0.000 1.039 163 T CA 0.574 62.634 62.100 -0.066 0.000 1.142 163 T CB -0.350 68.495 68.868 -0.038 0.000 0.868 163 T HN -0.030 nan 8.240 nan 0.000 0.435 164 V N 1.356 121.178 119.914 -0.154 0.000 2.720 164 V HA -0.051 4.068 4.120 -0.001 0.000 0.256 164 V C 2.080 178.021 176.094 -0.254 0.000 1.082 164 V CA 1.290 63.473 62.300 -0.194 0.000 1.101 164 V CB -0.531 31.162 31.823 -0.217 0.000 0.693 164 V HN 0.462 nan 8.190 nan 0.000 0.479 165 L N -0.450 120.582 121.223 -0.318 0.000 2.131 165 L HA -0.003 4.336 4.340 -0.001 0.000 0.206 165 L C 2.644 179.423 176.870 -0.152 0.000 1.087 165 L CA 1.447 56.118 54.840 -0.281 0.000 0.767 165 L CB -0.635 41.251 42.059 -0.289 0.000 0.917 165 L HN 0.419 nan 8.230 nan 0.000 0.441 166 A N -0.260 122.491 122.820 -0.115 0.000 2.014 166 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 166 A C 1.905 179.449 177.584 -0.066 0.000 1.163 166 A CA 1.221 53.215 52.037 -0.073 0.000 0.652 166 A CB -0.357 18.612 19.000 -0.052 0.000 0.808 166 A HN 0.385 nan 8.150 nan 0.000 0.449 167 N N 0.030 118.683 118.700 -0.078 0.000 2.171 167 N HA -0.130 4.609 4.740 -0.001 0.000 0.184 167 N C 1.657 177.130 175.510 -0.063 0.000 1.021 167 N CA 1.361 54.374 53.050 -0.062 0.000 0.854 167 N CB -0.424 38.026 38.487 -0.062 0.000 0.994 167 N HN 0.708 nan 8.380 nan 0.000 0.426 168 E N 0.655 120.802 120.200 -0.087 0.000 2.209 168 E HA -0.158 4.191 4.350 -0.001 0.000 0.196 168 E C 1.908 178.472 176.600 -0.061 0.000 0.993 168 E CA 0.516 56.869 56.400 -0.078 0.000 0.819 168 E CB -0.028 29.610 29.700 -0.102 0.000 0.745 168 E HN 0.291 nan 8.360 nan 0.000 0.477 169 L N 0.519 121.706 121.223 -0.061 0.000 1.973 169 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 169 L C 2.361 179.210 176.870 -0.036 0.000 1.073 169 L CA 1.824 56.636 54.840 -0.047 0.000 0.746 169 L CB -0.299 41.733 42.059 -0.046 0.000 0.891 169 L HN 0.237 nan 8.230 nan 0.000 0.433 170 T N -2.763 111.771 114.554 -0.033 0.000 3.509 170 T HA 0.227 4.577 4.350 -0.001 0.000 0.250 170 T C 0.853 175.540 174.700 -0.023 0.000 1.076 170 T CA 0.418 62.504 62.100 -0.025 0.000 0.966 170 T CB 0.178 69.034 68.868 -0.021 0.000 1.046 170 T HN 0.383 nan 8.240 nan 0.000 0.591 171 A N 1.836 124.639 122.820 -0.028 0.000 1.969 171 A HA 0.349 4.669 4.320 -0.001 0.000 0.205 171 A C 2.279 179.847 177.584 -0.027 0.000 1.364 171 A CA 0.304 52.326 52.037 -0.025 0.000 0.756 171 A CB -0.376 18.607 19.000 -0.028 0.000 0.988 171 A HN 0.443 nan 8.150 nan 0.000 0.490 172 R N 0.254 120.735 120.500 -0.032 0.000 2.200 172 R HA -0.200 4.139 4.340 -0.001 0.000 0.234 172 R C 1.782 178.068 176.300 -0.025 0.000 1.127 172 R CA 1.921 58.002 56.100 -0.031 0.000 0.989 172 R CB -0.324 29.955 30.300 -0.034 0.000 0.869 172 R HN 0.567 nan 8.270 nan 0.000 0.459 173 N N 0.526 119.213 118.700 -0.022 0.000 2.092 173 N HA -0.127 4.612 4.740 -0.001 0.000 0.189 173 N C 1.286 176.789 175.510 -0.012 0.000 1.040 173 N CA 1.628 54.668 53.050 -0.016 0.000 0.845 173 N CB -0.214 38.264 38.487 -0.015 0.000 1.017 173 N HN 0.176 nan 8.380 nan 0.000 0.426 174 N N 0.451 119.143 118.700 -0.012 0.000 2.096 174 N HA -0.196 4.544 4.740 -0.001 0.000 0.195 174 N C 1.591 177.093 175.510 -0.013 0.000 1.017 174 N CA 1.038 54.082 53.050 -0.010 0.000 0.870 174 N CB -0.667 37.814 38.487 -0.010 0.000 1.024 174 N HN 0.337 nan 8.380 nan 0.000 0.434 175 L N 1.082 122.294 121.223 -0.019 0.000 2.027 175 L HA -0.096 4.243 4.340 -0.001 0.000 0.206 175 L C 1.541 178.404 176.870 -0.013 0.000 1.074 175 L CA 1.884 56.709 54.840 -0.024 0.000 0.745 175 L CB -0.763 41.277 42.059 -0.032 0.000 0.898 175 L HN 0.012 nan 8.230 nan 0.000 0.433 176 D N -0.152 120.243 120.400 -0.008 0.000 2.084 176 D HA -0.171 4.468 4.640 -0.001 0.000 0.194 176 D C 1.883 178.197 176.300 0.023 0.000 0.990 176 D CA 1.319 55.321 54.000 0.004 0.000 0.826 176 D CB -0.306 40.490 40.800 -0.007 0.000 0.971 176 D HN 0.390 nan 8.370 nan 0.000 0.453 177 N N 0.848 119.557 118.700 0.015 0.000 2.272 177 N HA -0.136 4.604 4.740 -0.001 0.000 0.185 177 N C 1.639 177.162 175.510 0.021 0.000 1.014 177 N CA 1.077 54.140 53.050 0.021 0.000 0.870 177 N CB -0.327 38.167 38.487 0.011 0.000 0.975 177 N HN 0.148 nan 8.380 nan 0.000 0.433 178 A N 0.599 123.424 122.820 0.009 0.000 1.930 178 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 178 A C 2.385 179.975 177.584 0.009 0.000 1.175 178 A CA 1.658 53.694 52.037 -0.002 0.000 0.627 178 A CB -0.730 18.255 19.000 -0.025 0.000 0.815 178 A HN 0.229 nan 8.150 nan 0.000 0.443 179 V N -2.455 117.481 119.914 0.037 0.000 2.667 179 V HA -0.097 4.023 4.120 -0.001 0.000 0.252 179 V C 1.882 178.045 176.094 0.116 0.000 1.065 179 V CA 2.113 64.465 62.300 0.087 0.000 1.083 179 V CB -0.645 31.263 31.823 0.141 0.000 0.692 179 V HN 0.376 nan 8.190 nan 0.000 0.468 180 E N 0.540 120.810 120.200 0.117 0.000 2.077 180 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 180 E C 2.364 178.977 176.600 0.022 0.000 0.989 180 E CA 1.573 58.033 56.400 0.099 0.000 0.800 180 E CB -0.422 29.333 29.700 0.090 0.000 0.746 180 E HN 0.663 nan 8.360 nan 0.000 0.452 181 Q N 0.411 120.221 119.800 0.017 0.000 2.002 181 Q HA -0.145 4.194 4.340 -0.001 0.000 0.204 181 Q C 2.403 178.397 176.000 -0.010 0.000 0.988 181 Q CA 0.822 56.626 55.803 0.001 0.000 0.843 181 Q CB -0.908 27.830 28.738 0.000 0.000 0.908 181 Q HN 0.230 nan 8.270 nan 0.000 0.420 182 L N 1.010 122.230 121.223 -0.005 0.000 2.127 182 L HA -0.203 4.136 4.340 -0.001 0.000 0.211 182 L C 2.476 179.337 176.870 -0.014 0.000 1.089 182 L CA 1.848 56.690 54.840 0.003 0.000 0.757 182 L CB -0.358 41.713 42.059 0.020 0.000 0.899 182 L HN 0.133 nan 8.230 nan 0.000 0.434 183 R N -0.739 119.700 120.500 -0.102 0.000 2.073 183 R HA -0.168 4.171 4.340 -0.001 0.000 0.229 183 R C 2.325 178.519 176.300 -0.177 0.000 1.120 183 R CA 1.845 57.780 56.100 -0.274 0.000 0.967 183 R CB -0.604 29.307 30.300 -0.648 0.000 0.862 183 R HN 0.553 nan 8.270 nan 0.000 0.436 184 Q N 0.117 119.852 119.800 -0.107 0.000 2.061 184 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 184 Q C 1.995 177.966 176.000 -0.048 0.000 0.984 184 Q CA 2.325 58.090 55.803 -0.065 0.000 0.846 184 Q CB -0.142 28.576 28.738 -0.034 0.000 0.902 184 Q HN 0.515 nan 8.270 nan 0.000 0.421 185 I N -0.761 119.789 120.570 -0.033 0.000 2.394 185 I HA -0.189 3.981 4.170 -0.001 0.000 0.251 185 I C 2.037 178.144 176.117 -0.016 0.000 1.136 185 I CA 1.217 62.507 61.300 -0.017 0.000 1.425 185 I CB 0.050 38.048 38.000 -0.003 0.000 1.079 185 I HN 0.252 nan 8.210 nan 0.000 0.425 186 T N -1.574 112.970 114.554 -0.018 0.000 2.955 186 T HA 0.240 4.589 4.350 -0.001 0.000 0.251 186 T C 1.219 175.904 174.700 -0.025 0.000 1.002 186 T CA 0.760 62.868 62.100 0.014 0.000 0.970 186 T CB 0.461 69.399 68.868 0.118 0.000 1.091 186 T HN 0.510 nan 8.240 nan 0.000 0.495 187 G N 1.575 110.323 108.800 -0.087 0.000 2.176 187 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.253 187 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.253 187 G C 0.030 174.803 174.900 -0.211 0.000 0.979 187 G CA 0.154 45.178 45.100 -0.127 0.000 0.641 187 G HN 0.533 nan 8.290 nan 0.000 0.530 188 N N -1.073 117.461 118.700 -0.278 0.000 2.629 188 N HA 0.713 5.452 4.740 -0.001 0.000 0.279 188 N C -1.474 173.651 175.510 -0.643 0.000 1.344 188 N CA -0.470 52.304 53.050 -0.460 0.000 0.789 188 N CB 1.144 39.253 38.487 -0.630 0.000 1.508 188 N HN 0.053 nan 8.380 nan 0.000 0.516 189 Y N 0.233 120.279 120.300 -0.423 0.000 2.376 189 Y HA 0.421 4.971 4.550 -0.001 0.000 0.340 189 Y C -0.770 174.880 175.900 -0.417 0.000 0.965 189 Y CA -0.549 57.385 58.100 -0.276 0.000 1.078 189 Y CB 1.118 39.496 38.460 -0.137 0.000 1.193 189 Y HN 0.345 nan 8.280 nan 0.000 0.452 190 Y N 3.955 124.332 120.300 0.127 0.000 2.335 190 Y HA 0.344 4.894 4.550 -0.001 0.000 0.338 190 Y C -1.755 174.167 175.900 0.037 0.000 0.977 190 Y CA -2.352 55.782 58.100 0.057 0.000 1.114 190 Y CB 1.337 39.807 38.460 0.017 0.000 1.182 190 Y HN 0.464 nan 8.280 nan 0.000 0.463 191 P HA -0.089 nan 4.420 nan 0.000 0.220 191 P C -0.647 176.695 177.300 0.071 0.000 1.152 191 P CA 1.104 64.249 63.100 0.075 0.000 0.812 191 P CB 0.458 32.187 31.700 0.048 0.000 0.792 192 E N -2.359 117.900 120.200 0.097 0.000 2.390 192 E HA 0.445 4.794 4.350 -0.001 0.000 0.277 192 E C -0.754 175.873 176.600 0.044 0.000 0.939 192 E CA -0.822 55.610 56.400 0.054 0.000 0.769 192 E CB 1.034 30.760 29.700 0.043 0.000 1.251 192 E HN -0.143 nan 8.360 nan 0.000 0.450 193 L N 0.401 121.605 121.223 -0.031 0.000 2.644 193 L HA 0.836 5.175 4.340 -0.001 0.000 0.213 193 L C -0.273 176.612 176.870 0.025 0.000 1.622 193 L CA -0.618 54.170 54.840 -0.088 0.000 2.969 193 L CB 0.549 42.393 42.059 -0.358 0.000 2.760 193 L HN 0.804 nan 8.230 nan 0.000 0.871 194 A N -0.234 122.617 122.820 0.052 0.000 2.528 194 A HA 0.643 4.962 4.320 -0.001 0.000 0.306 194 A C -1.091 176.608 177.584 0.192 0.000 1.042 194 A CA -0.068 52.051 52.037 0.136 0.000 0.950 194 A CB 0.245 19.355 19.000 0.184 0.000 1.374 194 A HN 0.447 nan 8.150 nan 0.000 0.387 195 A N 1.302 124.208 122.820 0.143 0.000 2.248 195 A HA 0.788 5.108 4.320 -0.001 0.000 0.316 195 A C 0.056 177.767 177.584 0.210 0.000 1.101 195 A CA -0.572 51.577 52.037 0.188 0.000 0.875 195 A CB 0.386 19.461 19.000 0.125 0.000 1.207 195 A HN 2.003 nan 8.150 nan 0.000 0.504 196 L N 1.435 122.805 121.223 0.245 0.000 2.565 196 L HA 0.102 4.442 4.340 -0.001 0.000 0.275 196 L C 0.390 177.300 176.870 0.066 0.000 1.137 196 L CA -0.022 54.915 54.840 0.162 0.000 0.915 196 L CB -0.861 41.231 42.059 0.055 0.000 1.232 196 L HN 0.683 nan 8.230 nan 0.000 0.473 197 N N 3.838 122.601 118.700 0.104 0.000 2.394 197 N HA -0.073 4.667 4.740 -0.001 0.000 0.277 197 N C 1.003 176.549 175.510 0.059 0.000 1.346 197 N CA 0.529 53.629 53.050 0.082 0.000 0.910 197 N CB 0.713 39.261 38.487 0.102 0.000 1.201 197 N HN 0.514 nan 8.380 nan 0.000 0.488 198 V N 2.556 122.476 119.914 0.010 0.000 2.488 198 V HA -0.126 3.994 4.120 -0.001 0.000 0.246 198 V C 2.136 178.242 176.094 0.020 0.000 1.046 198 V CA 1.511 63.786 62.300 -0.041 0.000 1.053 198 V CB -0.699 31.090 31.823 -0.057 0.000 0.679 198 V HN 0.712 nan 8.190 nan 0.000 0.458 199 E N 1.346 121.571 120.200 0.042 0.000 2.051 199 E HA -0.154 4.196 4.350 -0.001 0.000 0.189 199 E C 0.708 177.358 176.600 0.083 0.000 0.979 199 E CA 0.971 57.402 56.400 0.052 0.000 0.803 199 E CB -0.788 28.932 29.700 0.033 0.000 0.761 199 E HN 0.537 nan 8.360 nan 0.000 0.451 200 N N 0.656 119.411 118.700 0.092 0.000 3.105 200 N HA 0.130 4.870 4.740 -0.001 0.000 0.309 200 N C -1.598 174.007 175.510 0.158 0.000 1.291 200 N CA 0.131 53.238 53.050 0.094 0.000 1.153 200 N CB -0.877 37.656 38.487 0.076 0.000 1.447 200 N HN 0.109 nan 8.380 nan 0.000 0.555 201 F N -0.370 119.562 119.950 -0.029 0.000 2.617 201 F HA 0.572 5.099 4.527 -0.001 0.000 0.325 201 F C -0.307 175.446 175.800 -0.077 0.000 1.179 201 F CA -0.732 57.239 58.000 -0.049 0.000 0.965 201 F CB 0.665 39.625 39.000 -0.066 0.000 1.232 201 F HN -0.088 nan 8.300 nan 0.000 0.461 202 K N 1.660 121.728 120.400 -0.553 0.000 2.443 202 K HA 0.809 5.129 4.320 -0.001 0.000 0.251 202 K C -0.555 175.582 176.600 -0.771 0.000 0.972 202 K CA -0.397 55.604 56.287 -0.477 0.000 0.833 202 K CB 1.201 33.561 32.500 -0.232 0.000 1.317 202 K HN 0.743 nan 8.250 nan 0.000 0.441 203 T N -0.644 113.556 114.554 -0.589 0.000 2.882 203 T HA 0.552 4.901 4.350 -0.001 0.000 0.287 203 T C -0.680 173.892 174.700 -0.214 0.000 0.992 203 T CA -0.578 61.156 62.100 -0.610 0.000 1.076 203 T CB 0.790 69.273 68.868 -0.642 0.000 0.961 203 T HN 0.451 nan 8.240 nan 0.000 0.490 204 D N 1.847 122.253 120.400 0.011 0.000 2.256 204 D HA 0.286 4.925 4.640 -0.001 0.000 0.240 204 D C 0.061 176.415 176.300 0.090 0.000 1.062 204 D CA -0.541 53.481 54.000 0.038 0.000 0.832 204 D CB 1.787 42.609 40.800 0.038 0.000 1.135 204 D HN 0.603 nan 8.370 nan 0.000 0.484 205 K N 2.595 123.019 120.400 0.041 0.000 2.440 205 K HA 0.120 4.439 4.320 -0.001 0.000 0.270 205 K C -2.121 174.517 176.600 0.064 0.000 0.980 205 K CA -0.802 55.511 56.287 0.044 0.000 0.953 205 K CB 0.369 32.885 32.500 0.027 0.000 0.925 205 K HN 0.227 nan 8.250 nan 0.000 0.497 206 P HA 0.107 nan 4.420 nan 0.000 0.282 206 P C -1.060 176.349 177.300 0.182 0.000 1.259 206 P CA -0.554 62.619 63.100 0.122 0.000 0.826 206 P CB 0.868 32.649 31.700 0.134 0.000 1.064 207 Q N 0.957 120.846 119.800 0.149 0.000 2.432 207 Q HA 0.178 4.518 4.340 -0.001 0.000 0.264 207 Q C -1.918 174.158 176.000 0.126 0.000 1.035 207 Q CA -1.221 54.646 55.803 0.107 0.000 0.908 207 Q CB -1.060 27.711 28.738 0.054 0.000 1.280 207 Q HN 0.377 nan 8.270 nan 0.000 0.455 208 P HA -0.077 nan 4.420 nan 0.000 0.268 208 P C 0.832 177.946 177.300 -0.309 0.000 1.208 208 P CA 0.054 63.109 63.100 -0.076 0.000 0.777 208 P CB 0.517 32.181 31.700 -0.061 0.000 0.875 209 V N 2.654 122.126 119.914 -0.736 0.000 2.427 209 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 209 V C 1.712 177.596 176.094 -0.349 0.000 1.051 209 V CA 1.861 63.660 62.300 -0.834 0.000 1.048 209 V CB -0.884 30.203 31.823 -1.227 0.000 0.666 209 V HN 0.482 nan 8.190 nan 0.000 0.456 210 N N 0.409 118.961 118.700 -0.246 0.000 2.381 210 N HA -0.098 4.642 4.740 -0.001 0.000 0.182 210 N C 1.794 177.246 175.510 -0.097 0.000 1.025 210 N CA 1.346 54.313 53.050 -0.138 0.000 0.888 210 N CB -0.106 38.320 38.487 -0.103 0.000 0.965 210 N HN 0.585 nan 8.380 nan 0.000 0.438 211 A N 1.662 124.425 122.820 -0.096 0.000 1.874 211 A HA 0.027 4.346 4.320 -0.001 0.000 0.214 211 A C 2.359 179.914 177.584 -0.047 0.000 1.189 211 A CA 0.520 52.523 52.037 -0.056 0.000 0.615 211 A CB -0.583 18.392 19.000 -0.041 0.000 0.830 211 A HN 0.090 nan 8.150 nan 0.000 0.443 212 L N -0.920 120.265 121.223 -0.062 0.000 2.012 212 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 212 L C 2.541 179.391 176.870 -0.033 0.000 1.073 212 L CA 1.195 56.013 54.840 -0.037 0.000 0.748 212 L CB -0.633 41.405 42.059 -0.034 0.000 0.891 212 L HN 0.408 nan 8.230 nan 0.000 0.431 213 L N 0.015 121.205 121.223 -0.056 0.000 2.012 213 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 213 L C 2.536 179.398 176.870 -0.012 0.000 1.073 213 L CA 1.863 56.683 54.840 -0.033 0.000 0.748 213 L CB -0.546 41.482 42.059 -0.051 0.000 0.891 213 L HN 0.115 nan 8.230 nan 0.000 0.431 214 K N -0.962 119.426 120.400 -0.021 0.000 2.148 214 K HA -0.211 4.108 4.320 -0.001 0.000 0.204 214 K C 2.018 178.619 176.600 0.002 0.000 1.050 214 K CA 1.327 57.609 56.287 -0.008 0.000 0.942 214 K CB 0.016 32.507 32.500 -0.016 0.000 0.724 214 K HN 0.305 nan 8.250 nan 0.000 0.446 215 E N 1.041 121.239 120.200 -0.003 0.000 2.072 215 E HA -0.113 4.237 4.350 -0.001 0.000 0.191 215 E C 1.707 178.311 176.600 0.007 0.000 0.985 215 E CA 1.328 57.729 56.400 0.001 0.000 0.801 215 E CB -0.081 29.617 29.700 -0.002 0.000 0.750 215 E HN 0.250 nan 8.360 nan 0.000 0.452 216 A N 0.803 123.628 122.820 0.007 0.000 1.877 216 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 216 A C 2.033 179.629 177.584 0.020 0.000 1.186 216 A CA 1.750 53.793 52.037 0.011 0.000 0.620 216 A CB -0.696 18.310 19.000 0.011 0.000 0.822 216 A HN 0.364 nan 8.150 nan 0.000 0.443 217 E N -0.423 119.800 120.200 0.039 0.000 2.331 217 E HA -0.161 4.188 4.350 -0.001 0.000 0.199 217 E C 1.540 178.171 176.600 0.052 0.000 1.008 217 E CA 0.977 57.419 56.400 0.071 0.000 0.843 217 E CB 0.072 29.834 29.700 0.103 0.000 0.761 217 E HN 0.415 nan 8.360 nan 0.000 0.507 218 K N -0.210 120.208 120.400 0.030 0.000 2.284 218 K HA 0.116 4.436 4.320 -0.001 0.000 0.198 218 K C 1.482 178.091 176.600 0.015 0.000 1.048 218 K CA 0.561 56.863 56.287 0.024 0.000 0.987 218 K CB 0.442 32.953 32.500 0.019 0.000 0.800 218 K HN 0.061 nan 8.250 nan 0.000 0.486 219 R N 0.302 120.808 120.500 0.009 0.000 2.544 219 R HA 0.107 4.446 4.340 -0.001 0.000 0.303 219 R C 0.063 176.362 176.300 -0.001 0.000 0.939 219 R CA -0.314 55.789 56.100 0.005 0.000 1.102 219 R CB 0.159 30.462 30.300 0.005 0.000 1.440 219 R HN -0.005 nan 8.270 nan 0.000 0.532 220 N N 2.208 120.904 118.700 -0.006 0.000 2.429 220 N HA -0.028 4.711 4.740 -0.001 0.000 0.271 220 N C 1.053 176.553 175.510 -0.018 0.000 1.272 220 N CA 0.142 53.184 53.050 -0.012 0.000 0.921 220 N CB 0.564 39.042 38.487 -0.015 0.000 1.128 220 N HN 0.097 nan 8.380 nan 0.000 0.481 221 L N 2.176 123.391 121.223 -0.012 0.000 2.129 221 L HA -0.218 4.121 4.340 -0.001 0.000 0.212 221 L C 2.156 179.017 176.870 -0.015 0.000 1.087 221 L CA 1.033 55.868 54.840 -0.009 0.000 0.757 221 L CB -0.439 41.617 42.059 -0.005 0.000 0.896 221 L HN 0.526 nan 8.230 nan 0.000 0.434 222 S N -0.134 115.553 115.700 -0.022 0.000 2.382 222 S HA -0.153 4.317 4.470 -0.001 0.000 0.228 222 S C 1.863 176.434 174.600 -0.048 0.000 1.027 222 S CA 1.156 59.339 58.200 -0.028 0.000 0.991 222 S CB -0.249 62.935 63.200 -0.027 0.000 0.823 222 S HN 0.229 nan 8.310 nan 0.000 0.469 223 L N 1.552 122.733 121.223 -0.069 0.000 2.027 223 L HA 0.037 4.376 4.340 -0.001 0.000 0.206 223 L C 2.081 178.899 176.870 -0.087 0.000 1.074 223 L CA 1.254 56.022 54.840 -0.121 0.000 0.745 223 L CB -0.685 41.280 42.059 -0.156 0.000 0.898 223 L HN 0.295 nan 8.230 nan 0.000 0.433 224 L N -0.416 120.780 121.223 -0.046 0.000 2.081 224 L HA -0.265 4.075 4.340 -0.001 0.000 0.212 224 L C 2.448 179.312 176.870 -0.010 0.000 1.080 224 L CA 2.305 57.134 54.840 -0.019 0.000 0.754 224 L CB -0.863 41.196 42.059 0.000 0.000 0.893 224 L HN 0.595 nan 8.230 nan 0.000 0.433 225 Q N -0.734 119.058 119.800 -0.013 0.000 2.123 225 Q HA -0.084 4.255 4.340 -0.001 0.000 0.199 225 Q C 2.130 178.122 176.000 -0.014 0.000 0.966 225 Q CA 1.468 57.269 55.803 -0.004 0.000 0.845 225 Q CB -0.242 28.497 28.738 0.001 0.000 0.907 225 Q HN 0.598 nan 8.270 nan 0.000 0.439 226 A N 0.738 123.536 122.820 -0.036 0.000 2.019 226 A HA -0.152 4.167 4.320 -0.001 0.000 0.219 226 A C 2.016 179.582 177.584 -0.030 0.000 1.164 226 A CA 1.237 53.248 52.037 -0.043 0.000 0.644 226 A CB -0.343 18.610 19.000 -0.077 0.000 0.805 226 A HN 0.337 nan 8.150 nan 0.000 0.449 227 R N -0.804 119.682 120.500 -0.024 0.000 2.066 227 R HA 0.137 4.476 4.340 -0.001 0.000 0.224 227 R C 1.984 178.300 176.300 0.027 0.000 1.122 227 R CA 0.978 57.079 56.100 0.001 0.000 0.974 227 R CB -0.446 29.855 30.300 0.001 0.000 0.871 227 R HN 0.483 nan 8.270 nan 0.000 0.435 228 L N 0.449 121.685 121.223 0.021 0.000 2.127 228 L HA -0.172 4.168 4.340 -0.001 0.000 0.211 228 L C 2.243 179.134 176.870 0.035 0.000 1.089 228 L CA 1.115 55.973 54.840 0.030 0.000 0.757 228 L CB -0.308 41.765 42.059 0.024 0.000 0.899 228 L HN 0.162 nan 8.230 nan 0.000 0.434 229 S N -1.012 114.704 115.700 0.028 0.000 2.395 229 S HA -0.186 4.283 4.470 -0.001 0.000 0.225 229 S C 1.880 176.516 174.600 0.061 0.000 1.027 229 S CA 0.796 59.016 58.200 0.033 0.000 0.965 229 S CB -0.006 63.203 63.200 0.014 0.000 0.812 229 S HN 0.423 nan 8.310 nan 0.000 0.482 230 Q N 1.064 120.900 119.800 0.059 0.000 2.124 230 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 230 Q C 1.695 177.859 176.000 0.273 0.000 0.977 230 Q CA 1.792 57.665 55.803 0.117 0.000 0.850 230 Q CB -0.200 28.561 28.738 0.039 0.000 0.901 230 Q HN 0.457 nan 8.270 nan 0.000 0.429 231 D N -0.106 120.395 120.400 0.167 0.000 2.123 231 D HA -0.201 4.438 4.640 -0.001 0.000 0.196 231 D C 1.861 178.221 176.300 0.100 0.000 0.992 231 D CA 1.034 55.113 54.000 0.131 0.000 0.833 231 D CB -0.149 40.698 40.800 0.077 0.000 0.954 231 D HN 0.304 nan 8.370 nan 0.000 0.455 232 L N 0.172 121.446 121.223 0.085 0.000 2.083 232 L HA 0.021 4.360 4.340 -0.001 0.000 0.209 232 L C 2.168 179.088 176.870 0.083 0.000 1.083 232 L CA 1.883 56.760 54.840 0.060 0.000 0.752 232 L CB -0.647 41.436 42.059 0.041 0.000 0.899 232 L HN 0.096 nan 8.230 nan 0.000 0.433 233 A N -0.852 122.062 122.820 0.157 0.000 2.067 233 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 233 A C 2.481 180.150 177.584 0.142 0.000 1.158 233 A CA 1.573 53.732 52.037 0.203 0.000 0.661 233 A CB -0.576 18.614 19.000 0.316 0.000 0.801 233 A HN 0.507 nan 8.150 nan 0.000 0.452 234 R N -0.789 119.739 120.500 0.048 0.000 2.090 234 R HA -0.041 4.298 4.340 -0.001 0.000 0.219 234 R C 1.971 178.187 176.300 -0.139 0.000 1.100 234 R CA 1.217 57.164 56.100 -0.256 0.000 0.991 234 R CB -0.148 29.942 30.300 -0.350 0.000 0.893 234 R HN 0.391 nan 8.270 nan 0.000 0.443 235 E N 0.902 121.070 120.200 -0.053 0.000 2.204 235 E HA -0.181 4.169 4.350 -0.001 0.000 0.195 235 E C 1.681 178.264 176.600 -0.028 0.000 0.990 235 E CA 1.405 57.785 56.400 -0.034 0.000 0.821 235 E CB 0.111 29.806 29.700 -0.008 0.000 0.750 235 E HN 0.376 nan 8.360 nan 0.000 0.477 236 Q N -0.673 119.118 119.800 -0.015 0.000 2.311 236 Q HA 0.012 4.351 4.340 -0.001 0.000 0.203 236 Q C 1.967 177.954 176.000 -0.022 0.000 0.954 236 Q CA 0.740 56.538 55.803 -0.007 0.000 0.885 236 Q CB 0.114 28.864 28.738 0.019 0.000 0.963 236 Q HN 0.409 nan 8.270 nan 0.000 0.471 237 I N 0.068 120.608 120.570 -0.050 0.000 2.353 237 I HA -0.226 3.944 4.170 -0.001 0.000 0.248 237 I C 2.086 178.170 176.117 -0.055 0.000 1.119 237 I CA 0.920 62.181 61.300 -0.065 0.000 1.417 237 I CB -0.159 37.763 38.000 -0.130 0.000 1.078 237 I HN 0.137 nan 8.210 nan 0.000 0.421 238 R N 0.401 120.867 120.500 -0.058 0.000 2.120 238 R HA -0.207 4.133 4.340 -0.001 0.000 0.234 238 R C 2.266 178.553 176.300 -0.023 0.000 1.123 238 R CA 1.181 57.259 56.100 -0.037 0.000 0.975 238 R CB -0.343 29.936 30.300 -0.035 0.000 0.866 238 R HN 0.468 nan 8.270 nan 0.000 0.446 239 Q N 0.607 120.392 119.800 -0.025 0.000 2.046 239 Q HA -0.144 4.195 4.340 -0.001 0.000 0.200 239 Q C 2.111 178.089 176.000 -0.037 0.000 0.975 239 Q CA 1.612 57.399 55.803 -0.026 0.000 0.836 239 Q CB -0.079 28.645 28.738 -0.023 0.000 0.896 239 Q HN 0.366 nan 8.270 nan 0.000 0.428 240 A N 0.769 123.567 122.820 -0.036 0.000 1.908 240 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 240 A C 1.887 179.437 177.584 -0.057 0.000 1.181 240 A CA 1.786 53.794 52.037 -0.049 0.000 0.627 240 A CB -0.610 18.367 19.000 -0.037 0.000 0.818 240 A HN 0.541 nan 8.150 nan 0.000 0.445 241 Q N -0.755 119.037 119.800 -0.014 0.000 2.364 241 Q HA -0.126 4.214 4.340 -0.001 0.000 0.207 241 Q C 0.774 176.804 176.000 0.050 0.000 0.970 241 Q CA 0.945 56.780 55.803 0.053 0.000 0.888 241 Q CB -0.064 28.709 28.738 0.058 0.000 0.951 241 Q HN 0.559 nan 8.270 nan 0.000 0.469 242 D N -0.381 120.012 120.400 -0.012 0.000 2.348 242 D HA -0.047 4.592 4.640 -0.001 0.000 0.216 242 D C 1.481 177.746 176.300 -0.059 0.000 0.970 242 D CA 0.606 54.594 54.000 -0.021 0.000 0.889 242 D CB -0.128 40.649 40.800 -0.040 0.000 0.912 242 D HN 0.324 nan 8.370 nan 0.000 0.524 243 G N -1.048 107.675 108.800 -0.129 0.000 2.956 243 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.207 243 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.207 243 G C 0.956 175.704 174.900 -0.253 0.000 1.162 243 G CA 0.088 45.070 45.100 -0.196 0.000 0.796 243 G HN 0.376 nan 8.290 nan 0.000 0.527 244 H N -1.049 118.004 119.070 -0.028 0.000 2.639 244 H HA 0.328 4.883 4.556 -0.001 0.000 0.267 244 H C 0.976 176.302 175.328 -0.004 0.000 0.958 244 H CA -0.444 55.597 56.048 -0.012 0.000 1.221 244 H CB 0.503 30.267 29.762 0.002 0.000 1.446 244 H HN 0.158 nan 8.280 nan 0.000 0.512 245 L N 2.596 123.877 121.223 0.097 0.000 2.436 245 L HA 0.237 4.576 4.340 -0.001 0.000 0.265 245 L C -2.023 174.850 176.870 0.005 0.000 1.168 245 L CA -2.111 52.777 54.840 0.080 0.000 0.815 245 L CB 0.368 42.470 42.059 0.072 0.000 1.109 245 L HN 0.036 nan 8.230 nan 0.000 0.462 246 P HA 0.292 nan 4.420 nan 0.000 0.281 246 P C -1.069 176.167 177.300 -0.107 0.000 1.264 246 P CA -0.494 62.516 63.100 -0.150 0.000 0.824 246 P CB 1.167 32.721 31.700 -0.244 0.000 1.092 247 T N -1.227 113.190 114.554 -0.229 0.000 2.848 247 T HA 0.609 4.958 4.350 -0.001 0.000 0.285 247 T C -0.885 173.787 174.700 -0.046 0.000 0.995 247 T CA -0.736 61.290 62.100 -0.123 0.000 0.970 247 T CB 0.868 69.650 68.868 -0.145 0.000 0.976 247 T HN 0.222 nan 8.240 nan 0.000 0.441 248 L N 2.690 123.988 121.223 0.125 0.000 2.342 248 L HA 0.619 4.958 4.340 -0.001 0.000 0.276 248 L C -1.427 175.526 176.870 0.139 0.000 0.997 248 L CA -0.199 54.753 54.840 0.187 0.000 0.838 248 L CB 0.956 43.197 42.059 0.303 0.000 1.224 248 L HN 0.769 nan 8.230 nan 0.000 0.416 249 D N 3.682 124.138 120.400 0.093 0.000 2.326 249 D HA 0.582 5.221 4.640 -0.001 0.000 0.248 249 D C -0.867 175.476 176.300 0.071 0.000 1.001 249 D CA -0.342 53.699 54.000 0.070 0.000 0.961 249 D CB 2.105 42.925 40.800 0.033 0.000 1.183 249 D HN 0.488 nan 8.370 nan 0.000 0.502 250 L N 0.562 121.819 121.223 0.057 0.000 2.334 250 L HA 0.743 5.083 4.340 -0.001 0.000 0.276 250 L C -0.851 176.039 176.870 0.033 0.000 1.014 250 L CA -0.263 54.606 54.840 0.048 0.000 0.815 250 L CB 1.485 43.574 42.059 0.049 0.000 1.268 250 L HN 0.668 nan 8.230 nan 0.000 0.428 251 T N 1.435 116.006 114.554 0.029 0.000 2.906 251 T HA 0.892 5.241 4.350 -0.001 0.000 0.295 251 T C -0.818 173.893 174.700 0.018 0.000 1.061 251 T CA -0.522 61.590 62.100 0.020 0.000 1.000 251 T CB 1.923 70.802 68.868 0.017 0.000 1.103 251 T HN 0.932 nan 8.240 nan 0.000 0.486 252 A N 1.742 124.570 122.820 0.013 0.000 2.456 252 A HA 0.751 5.071 4.320 -0.001 0.000 0.288 252 A C -0.252 177.337 177.584 0.009 0.000 1.042 252 A CA -0.847 51.197 52.037 0.012 0.000 0.738 252 A CB 1.139 20.146 19.000 0.012 0.000 1.266 252 A HN 1.152 nan 8.150 nan 0.000 0.407 253 S N 0.458 116.163 115.700 0.008 0.000 2.726 253 S HA 0.875 5.344 4.470 -0.001 0.000 0.308 253 S C -0.195 174.408 174.600 0.006 0.000 1.115 253 S CA -0.775 57.429 58.200 0.006 0.000 0.965 253 S CB 1.923 65.126 63.200 0.006 0.000 1.145 253 S HN 1.061 nan 8.310 nan 0.000 0.532 254 T N 0.720 115.277 114.554 0.005 0.000 3.103 254 T HA 0.557 4.907 4.350 -0.001 0.000 0.352 254 T C 0.038 174.741 174.700 0.005 0.000 1.048 254 T CA -0.356 61.747 62.100 0.005 0.000 1.175 254 T CB -0.461 68.410 68.868 0.005 0.000 1.029 254 T HN 0.894 nan 8.240 nan 0.000 0.498 255 G N 2.557 111.360 108.800 0.005 0.000 2.522 255 G HA2 0.804 4.764 3.960 -0.001 0.000 0.304 255 G HA3 0.804 4.764 3.960 -0.001 0.000 0.304 255 G C -0.900 174.002 174.900 0.005 0.000 1.210 255 G CA -0.613 44.490 45.100 0.004 0.000 0.960 255 G HN 0.723 nan 8.290 nan 0.000 0.497 256 I N 0.175 120.748 120.570 0.005 0.000 2.651 256 I HA 0.217 4.386 4.170 -0.001 0.000 0.287 256 I C -0.552 175.567 176.117 0.004 0.000 1.244 256 I CA -0.370 60.933 61.300 0.005 0.000 1.061 256 I CB 2.230 40.235 38.000 0.008 0.000 1.286 256 I HN 0.498 nan 8.210 nan 0.000 0.434 257 S N 4.113 119.813 115.700 0.001 0.000 2.454 257 S HA 0.551 5.021 4.470 -0.001 0.000 0.306 257 S C -1.104 173.492 174.600 -0.006 0.000 1.100 257 S CA -0.414 57.783 58.200 -0.007 0.000 1.087 257 S CB 1.110 64.303 63.200 -0.010 0.000 1.019 257 S HN 0.505 nan 8.310 nan 0.000 0.480 258 D N 2.939 123.331 120.400 -0.014 0.000 2.400 258 D HA 0.319 4.958 4.640 -0.001 0.000 0.272 258 D C -0.642 175.629 176.300 -0.047 0.000 1.220 258 D CA -0.118 53.875 54.000 -0.013 0.000 0.897 258 D CB 1.276 42.080 40.800 0.007 0.000 1.134 258 D HN 0.439 nan 8.370 nan 0.000 0.507 259 T N 0.208 114.715 114.554 -0.078 0.000 2.899 259 T HA 0.650 5.000 4.350 -0.001 0.000 0.284 259 T C 0.201 174.777 174.700 -0.206 0.000 1.004 259 T CA -0.702 61.281 62.100 -0.195 0.000 1.043 259 T CB 1.320 70.036 68.868 -0.253 0.000 1.013 259 T HN 0.217 nan 8.240 nan 0.000 0.518 260 S N 0.916 116.401 115.700 -0.359 0.000 2.562 260 S HA 0.574 5.044 4.470 -0.001 0.000 0.274 260 S C -1.722 172.693 174.600 -0.308 0.000 1.160 260 S CA -0.963 57.117 58.200 -0.201 0.000 0.933 260 S CB 0.633 63.813 63.200 -0.033 0.000 1.100 260 S HN 0.537 nan 8.310 nan 0.000 0.468 261 Y N 1.868 122.219 120.300 0.086 0.000 2.488 261 Y HA 0.848 5.398 4.550 -0.001 0.000 0.325 261 Y C 1.180 177.132 175.900 0.086 0.000 1.204 261 Y CA 0.058 58.222 58.100 0.107 0.000 1.229 261 Y CB 1.967 40.546 38.460 0.198 0.000 1.274 261 Y HN 1.130 nan 8.280 nan 0.000 0.493 262 S N -0.919 114.920 115.700 0.231 0.000 2.815 262 S HA 0.858 5.327 4.470 -0.001 0.000 0.296 262 S C -0.152 174.499 174.600 0.085 0.000 1.224 262 S CA -0.384 57.897 58.200 0.134 0.000 0.938 262 S CB 1.121 64.396 63.200 0.125 0.000 1.285 262 S HN 1.863 nan 8.310 nan 0.000 0.549 263 G N 0.856 109.694 108.800 0.062 0.000 2.587 263 G HA2 0.008 3.968 3.960 -0.001 0.000 0.212 263 G HA3 0.008 3.968 3.960 -0.001 0.000 0.212 263 G C 0.706 175.603 174.900 -0.005 0.000 1.327 263 G CA 0.745 45.864 45.100 0.030 0.000 0.898 263 G HN 2.080 nan 8.290 nan 0.000 0.551 264 S N -0.606 115.078 115.700 -0.026 0.000 2.398 264 S HA 0.127 4.597 4.470 -0.001 0.000 0.220 264 S C 1.635 176.183 174.600 -0.085 0.000 1.046 264 S CA 1.462 59.639 58.200 -0.039 0.000 0.953 264 S CB -0.074 63.112 63.200 -0.024 0.000 0.856 264 S HN 0.703 nan 8.310 nan 0.000 0.506 265 K N 1.327 121.649 120.400 -0.129 0.000 2.668 265 K HA 0.090 4.409 4.320 -0.001 0.000 0.204 265 K C 0.879 177.247 176.600 -0.386 0.000 1.016 265 K CA 0.648 56.809 56.287 -0.210 0.000 1.131 265 K CB -0.270 32.107 32.500 -0.205 0.000 0.891 265 K HN 0.472 nan 8.250 nan 0.000 0.499 266 T N -0.671 113.714 114.554 -0.282 0.000 3.003 266 T HA 0.084 4.434 4.350 -0.001 0.000 0.261 266 T C 0.738 175.380 174.700 -0.096 0.000 1.003 266 T CA -0.203 61.732 62.100 -0.275 0.000 0.917 266 T CB 0.202 68.990 68.868 -0.135 0.000 1.084 266 T HN 0.086 nan 8.240 nan 0.000 0.522 267 R N 0.514 120.970 120.500 -0.075 0.000 4.031 267 R HA 0.445 4.784 4.340 -0.001 0.000 0.269 267 R C 0.898 177.185 176.300 -0.021 0.000 1.668 267 R CA 0.566 56.649 56.100 -0.028 0.000 1.432 267 R CB -0.565 29.722 30.300 -0.021 0.000 1.374 267 R HN 0.377 nan 8.270 nan 0.000 0.681 268 G N -1.125 107.665 108.800 -0.017 0.000 2.456 268 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.208 268 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.208 268 G C 0.722 175.621 174.900 -0.002 0.000 1.004 268 G CA -0.070 45.027 45.100 -0.005 0.000 0.791 268 G HN 0.378 nan 8.290 nan 0.000 0.537 269 A N 0.720 123.536 122.820 -0.008 0.000 1.948 269 A HA 0.374 4.693 4.320 -0.001 0.000 0.220 269 A C 2.596 180.210 177.584 0.050 0.000 1.177 269 A CA 2.779 54.831 52.037 0.025 0.000 0.636 269 A CB -0.724 18.322 19.000 0.076 0.000 0.815 269 A HN 2.446 nan 8.150 nan 0.000 0.449 270 A N -2.699 120.150 122.820 0.049 0.000 2.774 270 A HA -0.103 4.216 4.320 -0.001 0.000 0.290 270 A C 1.521 179.123 177.584 0.031 0.000 1.484 270 A CA 1.589 53.647 52.037 0.035 0.000 0.863 270 A CB -1.983 17.030 19.000 0.021 0.000 0.989 270 A HN 1.712 nan 8.150 nan 0.000 0.554 271 G N -2.285 106.542 108.800 0.045 0.000 3.337 271 G HA2 0.370 4.329 3.960 -0.001 0.000 0.246 271 G HA3 0.370 4.329 3.960 -0.001 0.000 0.246 271 G C 0.785 175.674 174.900 -0.018 0.000 1.131 271 G CA 1.132 46.240 45.100 0.013 0.000 0.773 271 G HN 1.677 nan 8.290 nan 0.000 0.544 272 T N -0.353 114.200 114.554 -0.001 0.000 3.728 272 T HA -0.281 4.068 4.350 -0.001 0.000 0.355 272 T C 1.671 176.317 174.700 -0.090 0.000 0.760 272 T CA 1.889 63.977 62.100 -0.020 0.000 1.841 272 T CB -1.034 67.826 68.868 -0.012 0.000 1.853 272 T HN 0.633 nan 8.240 nan 0.000 0.743 273 Q N -1.032 118.661 119.800 -0.179 0.000 2.107 273 Q HA 0.075 4.414 4.340 -0.001 0.000 0.195 273 Q C 0.992 176.615 176.000 -0.629 0.000 0.964 273 Q CA 1.143 56.686 55.803 -0.434 0.000 0.833 273 Q CB 0.185 28.514 28.738 -0.683 0.000 0.910 273 Q HN 0.808 nan 8.270 nan 0.000 0.465 274 Y N 1.264 121.343 120.300 -0.367 0.000 2.487 274 Y HA 0.075 4.625 4.550 -0.001 0.000 0.339 274 Y C -0.259 175.578 175.900 -0.105 0.000 1.191 274 Y CA -0.185 57.587 58.100 -0.546 0.000 1.279 274 Y CB -0.168 38.090 38.460 -0.336 0.000 1.122 274 Y HN -0.035 nan 8.280 nan 0.000 0.500 275 D N 0.486 120.899 120.400 0.023 0.000 2.177 275 D HA 0.083 4.722 4.640 -0.001 0.000 0.247 275 D C -0.641 175.776 176.300 0.195 0.000 1.063 275 D CA -0.627 53.443 54.000 0.117 0.000 0.867 275 D CB 0.713 41.544 40.800 0.051 0.000 1.168 275 D HN 0.039 nan 8.370 nan 0.000 0.445 276 D N 0.906 121.416 120.400 0.184 0.000 2.662 276 D HA -0.047 4.592 4.640 -0.001 0.000 0.237 276 D C -0.136 176.229 176.300 0.109 0.000 1.154 276 D CA 0.655 54.742 54.000 0.145 0.000 0.861 276 D CB 0.211 41.065 40.800 0.089 0.000 1.146 276 D HN -0.035 nan 8.370 nan 0.000 0.518 277 S N 2.377 118.145 115.700 0.113 0.000 2.489 277 S HA 0.370 4.839 4.470 -0.001 0.000 0.291 277 S C -0.351 174.271 174.600 0.038 0.000 1.151 277 S CA -0.857 57.387 58.200 0.073 0.000 1.082 277 S CB 0.432 63.687 63.200 0.092 0.000 1.019 277 S HN 0.276 nan 8.310 nan 0.000 0.492 278 N N 4.419 123.135 118.700 0.027 0.000 2.791 278 N HA 0.238 4.977 4.740 -0.001 0.000 0.265 278 N C -0.737 174.781 175.510 0.013 0.000 1.580 278 N CA -0.403 52.657 53.050 0.018 0.000 0.809 278 N CB 0.796 39.294 38.487 0.019 0.000 1.178 278 N HN 0.505 nan 8.380 nan 0.000 0.499 279 M N 0.119 119.725 119.600 0.010 0.000 2.103 279 M HA 0.486 4.965 4.480 -0.001 0.000 0.291 279 M C 1.072 177.375 176.300 0.006 0.000 1.216 279 M CA -0.330 54.974 55.300 0.007 0.000 1.132 279 M CB 0.237 32.840 32.600 0.005 0.000 1.396 279 M HN 0.368 nan 8.290 nan 0.000 0.479 280 G N 1.338 110.141 108.800 0.005 0.000 2.078 280 G HA2 0.422 4.382 3.960 -0.001 0.000 0.297 280 G HA3 0.422 4.382 3.960 -0.001 0.000 0.297 280 G C -1.349 173.553 174.900 0.004 0.000 1.370 280 G CA -0.588 44.514 45.100 0.005 0.000 1.222 280 G HN 0.444 nan 8.290 nan 0.000 0.586 281 Q N 1.304 121.107 119.800 0.004 0.000 2.331 281 Q HA 0.383 4.722 4.340 -0.001 0.000 0.267 281 Q C -0.770 175.232 176.000 0.004 0.000 1.006 281 Q CA -0.839 54.966 55.803 0.004 0.000 0.818 281 Q CB 2.372 31.111 28.738 0.003 0.000 1.276 281 Q HN 0.511 nan 8.270 nan 0.000 0.450 282 N N 2.271 120.974 118.700 0.005 0.000 2.426 282 N HA 0.279 5.019 4.740 -0.001 0.000 0.257 282 N C -0.699 174.815 175.510 0.006 0.000 1.002 282 N CA -0.141 52.912 53.050 0.006 0.000 0.942 282 N CB 1.168 39.658 38.487 0.006 0.000 1.112 282 N HN 0.194 nan 8.380 nan 0.000 0.499 283 K N 0.419 120.823 120.400 0.007 0.000 2.267 283 K HA 0.757 5.076 4.320 -0.001 0.000 0.246 283 K C -0.835 175.772 176.600 0.011 0.000 0.954 283 K CA -1.096 55.196 56.287 0.009 0.000 0.824 283 K CB 2.406 34.911 32.500 0.009 0.000 1.167 283 K HN 0.297 nan 8.250 nan 0.000 0.431 284 V N -2.275 117.647 119.914 0.013 0.000 2.851 284 V HA 0.921 5.041 4.120 -0.001 0.000 0.307 284 V C -0.721 175.384 176.094 0.019 0.000 1.129 284 V CA -0.407 61.902 62.300 0.016 0.000 0.932 284 V CB 1.652 33.484 31.823 0.016 0.000 1.024 284 V HN 0.928 nan 8.190 nan 0.000 0.426 285 G N 3.121 111.936 108.800 0.024 0.000 2.660 285 G HA2 0.696 4.655 3.960 -0.001 0.000 0.290 285 G HA3 0.696 4.655 3.960 -0.001 0.000 0.290 285 G C -1.970 172.953 174.900 0.040 0.000 1.432 285 G CA -0.941 44.176 45.100 0.029 0.000 0.807 285 G HN 1.015 nan 8.290 nan 0.000 0.485 286 L N 1.001 122.253 121.223 0.049 0.000 2.376 286 L HA 0.532 4.872 4.340 -0.001 0.000 0.275 286 L C -0.025 176.898 176.870 0.089 0.000 0.987 286 L CA -0.767 54.115 54.840 0.071 0.000 0.828 286 L CB 2.145 44.249 42.059 0.076 0.000 1.249 286 L HN 0.434 nan 8.230 nan 0.000 0.409 287 S N 2.665 118.423 115.700 0.096 0.000 2.480 287 S HA 0.586 5.056 4.470 -0.001 0.000 0.286 287 S C -0.901 173.806 174.600 0.178 0.000 1.180 287 S CA -0.334 57.934 58.200 0.113 0.000 1.075 287 S CB 0.851 64.090 63.200 0.066 0.000 0.996 287 S HN 0.367 nan 8.310 nan 0.000 0.487 288 F N 3.315 123.288 119.950 0.038 0.000 2.507 288 F HA 0.681 5.208 4.527 -0.001 0.000 0.325 288 F C -0.300 175.525 175.800 0.042 0.000 1.116 288 F CA -0.432 57.598 58.000 0.050 0.000 0.930 288 F CB 1.592 40.622 39.000 0.050 0.000 1.146 288 F HN 0.433 nan 8.300 nan 0.000 0.447 289 S N 7.226 122.579 115.700 -0.577 0.000 2.672 289 S HA 0.686 5.156 4.470 -0.001 0.000 0.291 289 S C -2.118 172.142 174.600 -0.567 0.000 1.145 289 S CA -0.584 57.383 58.200 -0.388 0.000 1.013 289 S CB 1.079 64.172 63.200 -0.178 0.000 1.017 289 S HN 0.841 nan 8.310 nan 0.000 0.487 290 L N 6.608 127.627 121.223 -0.340 0.000 2.349 290 L HA 0.760 5.100 4.340 -0.001 0.000 0.278 290 L C -2.576 174.270 176.870 -0.040 0.000 0.996 290 L CA -1.449 53.280 54.840 -0.185 0.000 0.825 290 L CB 1.409 43.461 42.059 -0.011 0.000 1.243 290 L HN 0.464 nan 8.230 nan 0.000 0.412 291 P HA 0.425 nan 4.420 nan 0.000 0.275 291 P C -0.010 177.324 177.300 0.058 0.000 1.228 291 P CA -0.160 62.940 63.100 -0.000 0.000 0.786 291 P CB 1.354 33.036 31.700 -0.030 0.000 0.927 292 I N -0.169 120.451 120.570 0.082 0.000 4.046 292 I HA 0.191 4.360 4.170 -0.001 0.000 0.285 292 I C -0.425 175.818 176.117 0.211 0.000 1.183 292 I CA 0.133 61.513 61.300 0.132 0.000 1.337 292 I CB 0.439 38.511 38.000 0.120 0.000 1.478 292 I HN 0.227 nan 8.210 nan 0.000 0.452 293 Y N 1.495 121.818 120.300 0.038 0.000 2.358 293 Y HA 0.399 4.948 4.550 -0.001 0.000 0.324 293 Y C -0.544 175.367 175.900 0.020 0.000 1.123 293 Y CA -0.693 57.428 58.100 0.036 0.000 1.067 293 Y CB 1.286 39.765 38.460 0.032 0.000 1.230 293 Y HN -0.037 nan 8.280 nan 0.000 0.429 294 Q N 4.405 123.807 119.800 -0.662 0.000 2.211 294 Q HA 0.317 4.656 4.340 -0.001 0.000 0.301 294 Q C 0.898 176.552 176.000 -0.577 0.000 0.884 294 Q CA 0.299 55.824 55.803 -0.463 0.000 1.115 294 Q CB 0.713 29.301 28.738 -0.251 0.000 1.217 294 Q HN 1.174 nan 8.270 nan 0.000 0.451 295 G N -0.315 107.832 108.800 -1.088 0.000 2.143 295 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.248 295 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.248 295 G C 0.663 175.364 174.900 -0.332 0.000 0.991 295 G CA 0.141 44.924 45.100 -0.529 0.000 0.689 295 G HN 0.840 nan 8.290 nan 0.000 0.522 296 G N -0.689 107.825 108.800 -0.477 0.000 2.160 296 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.251 296 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.251 296 G C 1.144 175.980 174.900 -0.106 0.000 1.008 296 G CA 1.581 46.602 45.100 -0.132 0.000 0.724 296 G HN 1.741 nan 8.290 nan 0.000 0.514 297 M N -0.346 119.154 119.600 -0.166 0.000 2.229 297 M HA -0.014 4.465 4.480 -0.001 0.000 0.264 297 M C 2.205 178.435 176.300 -0.117 0.000 1.063 297 M CA 2.398 57.626 55.300 -0.119 0.000 1.114 297 M CB -0.177 32.345 32.600 -0.130 0.000 1.387 297 M HN 0.173 nan 8.290 nan 0.000 0.420 298 V N 1.613 121.431 119.914 -0.161 0.000 2.427 298 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 298 V C 2.165 178.193 176.094 -0.110 0.000 1.051 298 V CA 1.737 63.901 62.300 -0.227 0.000 1.048 298 V CB -1.188 30.325 31.823 -0.517 0.000 0.666 298 V HN 0.541 nan 8.190 nan 0.000 0.456 299 N N -0.002 118.696 118.700 -0.004 0.000 2.142 299 N HA -0.126 4.614 4.740 -0.001 0.000 0.186 299 N C 2.195 177.717 175.510 0.019 0.000 1.023 299 N CA 1.724 54.809 53.050 0.057 0.000 0.852 299 N CB -0.317 38.225 38.487 0.092 0.000 0.998 299 N HN 0.426 nan 8.380 nan 0.000 0.424 300 S N 0.882 116.587 115.700 0.009 0.000 2.382 300 S HA -0.116 4.354 4.470 -0.001 0.000 0.228 300 S C 1.820 176.424 174.600 0.006 0.000 1.027 300 S CA 1.175 59.385 58.200 0.016 0.000 0.991 300 S CB -0.022 63.188 63.200 0.015 0.000 0.823 300 S HN 0.315 nan 8.310 nan 0.000 0.469 301 Q N -0.152 119.636 119.800 -0.019 0.000 2.124 301 Q HA -0.057 4.283 4.340 -0.001 0.000 0.202 301 Q C 2.248 178.235 176.000 -0.022 0.000 0.977 301 Q CA 1.635 57.423 55.803 -0.025 0.000 0.850 301 Q CB -0.192 28.513 28.738 -0.055 0.000 0.901 301 Q HN 0.441 nan 8.270 nan 0.000 0.429 302 V N 1.053 120.952 119.914 -0.024 0.000 2.307 302 V HA -0.268 3.851 4.120 -0.001 0.000 0.245 302 V C 2.065 178.124 176.094 -0.058 0.000 1.045 302 V CA 1.704 63.989 62.300 -0.025 0.000 1.024 302 V CB -0.348 31.481 31.823 0.010 0.000 0.651 302 V HN 0.302 nan 8.190 nan 0.000 0.449 303 K N -0.505 119.854 120.400 -0.069 0.000 2.009 303 K HA -0.265 4.054 4.320 -0.001 0.000 0.210 303 K C 2.268 178.756 176.600 -0.187 0.000 1.049 303 K CA 1.925 58.108 56.287 -0.174 0.000 0.929 303 K CB -0.289 32.149 32.500 -0.103 0.000 0.714 303 K HN 0.513 nan 8.250 nan 0.000 0.440 304 Q N 0.118 119.921 119.800 0.006 0.000 2.029 304 Q HA -0.236 4.103 4.340 -0.001 0.000 0.209 304 Q C 2.221 178.264 176.000 0.072 0.000 0.999 304 Q CA 1.957 57.827 55.803 0.112 0.000 0.857 304 Q CB -0.366 28.425 28.738 0.088 0.000 0.926 304 Q HN 0.403 nan 8.270 nan 0.000 0.415 305 A N 0.739 123.572 122.820 0.023 0.000 1.958 305 A HA -0.321 3.998 4.320 -0.001 0.000 0.221 305 A C 1.941 179.553 177.584 0.046 0.000 1.178 305 A CA 1.988 54.043 52.037 0.029 0.000 0.642 305 A CB -0.590 18.409 19.000 -0.002 0.000 0.816 305 A HN 0.436 nan 8.150 nan 0.000 0.453 306 Q N -1.926 117.855 119.800 -0.033 0.000 2.046 306 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 306 Q C 1.967 177.998 176.000 0.050 0.000 0.975 306 Q CA 1.695 57.476 55.803 -0.036 0.000 0.836 306 Q CB -0.303 28.322 28.738 -0.188 0.000 0.896 306 Q HN 0.816 nan 8.270 nan 0.000 0.428 307 Y N 0.649 121.004 120.300 0.092 0.000 2.181 307 Y HA -0.212 4.337 4.550 -0.001 0.000 0.288 307 Y C 2.085 178.029 175.900 0.073 0.000 1.146 307 Y CA 1.192 59.334 58.100 0.070 0.000 1.164 307 Y CB -0.701 37.785 38.460 0.043 0.000 0.982 307 Y HN 0.190 nan 8.280 nan 0.000 0.515 308 N N -0.304 118.532 118.700 0.227 0.000 2.137 308 N HA -0.245 4.495 4.740 -0.001 0.000 0.190 308 N C 1.670 177.283 175.510 0.173 0.000 1.017 308 N CA 1.240 54.386 53.050 0.160 0.000 0.859 308 N CB -0.516 38.049 38.487 0.130 0.000 1.002 308 N HN 0.236 nan 8.380 nan 0.000 0.428 309 F N 0.136 120.113 119.950 0.045 0.000 2.186 309 F HA -0.030 4.497 4.527 -0.001 0.000 0.299 309 F C 1.983 177.809 175.800 0.044 0.000 1.090 309 F CA 0.699 58.718 58.000 0.031 0.000 1.307 309 F CB -0.426 38.581 39.000 0.012 0.000 1.019 309 F HN -0.117 nan 8.300 nan 0.000 0.489 310 V N 0.256 120.193 119.914 0.038 0.000 2.295 310 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 310 V C 2.780 178.817 176.094 -0.094 0.000 1.049 310 V CA 2.074 64.345 62.300 -0.049 0.000 1.024 310 V CB -1.609 30.276 31.823 0.102 0.000 0.648 310 V HN 0.504 nan 8.190 nan 0.000 0.447 311 G N -0.544 108.245 108.800 -0.017 0.000 2.442 311 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.219 311 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.219 311 G C 1.694 176.552 174.900 -0.071 0.000 1.141 311 G CA 1.050 46.135 45.100 -0.026 0.000 0.763 311 G HN 0.636 nan 8.290 nan 0.000 0.554 312 A N 0.193 122.946 122.820 -0.111 0.000 2.014 312 A HA 0.164 4.483 4.320 -0.001 0.000 0.218 312 A C 2.639 180.107 177.584 -0.194 0.000 1.163 312 A CA 2.026 53.990 52.037 -0.121 0.000 0.652 312 A CB -0.271 18.682 19.000 -0.078 0.000 0.808 312 A HN 0.308 nan 8.150 nan 0.000 0.449 313 S N -0.506 115.007 115.700 -0.311 0.000 2.371 313 S HA -0.065 4.404 4.470 -0.001 0.000 0.221 313 S C 1.913 176.433 174.600 -0.135 0.000 1.036 313 S CA 0.889 58.915 58.200 -0.290 0.000 0.965 313 S CB -0.224 62.725 63.200 -0.419 0.000 0.845 313 S HN 0.570 nan 8.310 nan 0.000 0.475 314 E N 1.775 121.912 120.200 -0.105 0.000 2.097 314 E HA -0.211 4.139 4.350 -0.001 0.000 0.196 314 E C 2.116 178.691 176.600 -0.041 0.000 1.000 314 E CA 1.169 57.537 56.400 -0.053 0.000 0.804 314 E CB -0.499 29.178 29.700 -0.039 0.000 0.740 314 E HN 0.579 nan 8.360 nan 0.000 0.454 315 Q N 0.133 119.902 119.800 -0.051 0.000 2.096 315 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 315 Q C 2.404 178.379 176.000 -0.042 0.000 0.982 315 Q CA 1.197 56.977 55.803 -0.040 0.000 0.850 315 Q CB -0.240 28.474 28.738 -0.039 0.000 0.901 315 Q HN 0.169 nan 8.270 nan 0.000 0.422 316 L N 0.834 122.025 121.223 -0.055 0.000 2.046 316 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 316 L C 2.239 179.109 176.870 -0.001 0.000 1.077 316 L CA 1.914 56.722 54.840 -0.053 0.000 0.747 316 L CB -0.266 41.763 42.059 -0.051 0.000 0.896 316 L HN 0.139 nan 8.230 nan 0.000 0.432 317 E N -0.487 119.735 120.200 0.037 0.000 2.058 317 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 317 E C 2.173 178.810 176.600 0.062 0.000 0.997 317 E CA 1.831 58.283 56.400 0.086 0.000 0.801 317 E CB -0.384 29.339 29.700 0.039 0.000 0.746 317 E HN 0.507 nan 8.360 nan 0.000 0.450 318 S N -0.168 115.543 115.700 0.018 0.000 2.402 318 S HA -0.228 4.241 4.470 -0.001 0.000 0.233 318 S C 1.890 176.492 174.600 0.003 0.000 1.030 318 S CA 1.092 59.297 58.200 0.009 0.000 1.003 318 S CB -0.474 62.723 63.200 -0.005 0.000 0.813 318 S HN 0.524 nan 8.310 nan 0.000 0.477 319 A N 1.355 124.160 122.820 -0.025 0.000 1.872 319 A HA -0.100 4.219 4.320 -0.001 0.000 0.214 319 A C 1.863 179.408 177.584 -0.065 0.000 1.187 319 A CA 1.073 53.069 52.037 -0.068 0.000 0.614 319 A CB -0.829 18.093 19.000 -0.129 0.000 0.826 319 A HN 0.509 nan 8.150 nan 0.000 0.442 320 H N -0.029 119.036 119.070 -0.009 0.000 2.289 320 H HA -0.116 4.439 4.556 -0.001 0.000 0.296 320 H C 2.335 177.659 175.328 -0.007 0.000 1.091 320 H CA 1.963 58.007 56.048 -0.008 0.000 1.274 320 H CB -0.250 29.506 29.762 -0.010 0.000 1.364 320 H HN 0.451 nan 8.280 nan 0.000 0.490 321 R N 0.067 120.641 120.500 0.123 0.000 2.103 321 R HA -0.133 4.206 4.340 -0.001 0.000 0.242 321 R C 2.690 179.015 176.300 0.042 0.000 1.142 321 R CA 1.436 57.575 56.100 0.064 0.000 0.960 321 R CB -0.330 29.996 30.300 0.044 0.000 0.858 321 R HN 0.156 nan 8.270 nan 0.000 0.439 322 S N 0.254 115.971 115.700 0.029 0.000 2.368 322 S HA -0.090 4.379 4.470 -0.001 0.000 0.225 322 S C 2.013 176.624 174.600 0.019 0.000 1.030 322 S CA 1.279 59.489 58.200 0.017 0.000 0.999 322 S CB -0.044 63.158 63.200 0.003 0.000 0.844 322 S HN 0.138 nan 8.310 nan 0.000 0.459 323 V N 1.341 121.267 119.914 0.020 0.000 2.427 323 V HA -0.070 4.049 4.120 -0.001 0.000 0.248 323 V C 2.462 178.576 176.094 0.034 0.000 1.051 323 V CA 1.434 63.747 62.300 0.022 0.000 1.048 323 V CB -0.805 31.028 31.823 0.017 0.000 0.666 323 V HN 0.385 nan 8.190 nan 0.000 0.456 324 V N 0.145 120.085 119.914 0.045 0.000 2.223 324 V HA -0.295 3.824 4.120 -0.001 0.000 0.244 324 V C 2.641 178.753 176.094 0.029 0.000 1.045 324 V CA 2.500 64.820 62.300 0.034 0.000 1.000 324 V CB -0.651 31.192 31.823 0.034 0.000 0.635 324 V HN 0.579 nan 8.190 nan 0.000 0.445 325 Q N -0.263 119.555 119.800 0.030 0.000 2.124 325 Q HA -0.206 4.134 4.340 -0.001 0.000 0.202 325 Q C 2.120 178.142 176.000 0.036 0.000 0.977 325 Q CA 2.548 58.370 55.803 0.032 0.000 0.850 325 Q CB -0.485 28.269 28.738 0.028 0.000 0.901 325 Q HN 0.692 nan 8.270 nan 0.000 0.429 326 T N 0.540 115.113 114.554 0.031 0.000 2.737 326 T HA -0.067 4.282 4.350 -0.001 0.000 0.265 326 T C 1.979 176.705 174.700 0.043 0.000 1.038 326 T CA 1.396 63.515 62.100 0.032 0.000 1.144 326 T CB -0.246 68.635 68.868 0.022 0.000 0.866 326 T HN 0.094 nan 8.240 nan 0.000 0.434 327 V N 1.357 121.295 119.914 0.039 0.000 2.427 327 V HA -0.128 3.992 4.120 -0.001 0.000 0.248 327 V C 2.589 178.729 176.094 0.077 0.000 1.051 327 V CA 1.515 63.842 62.300 0.045 0.000 1.048 327 V CB -0.503 31.332 31.823 0.020 0.000 0.666 327 V HN 0.378 nan 8.190 nan 0.000 0.456 328 R N -0.251 120.289 120.500 0.068 0.000 2.060 328 R HA -0.087 4.253 4.340 -0.001 0.000 0.225 328 R C 2.595 178.990 176.300 0.158 0.000 1.155 328 R CA 1.550 57.715 56.100 0.109 0.000 0.930 328 R CB -0.852 29.487 30.300 0.066 0.000 0.829 328 R HN 0.376 nan 8.270 nan 0.000 0.433 329 S N 0.714 116.474 115.700 0.100 0.000 2.399 329 S HA -0.265 4.204 4.470 -0.001 0.000 0.235 329 S C 2.013 176.663 174.600 0.085 0.000 1.063 329 S CA 1.973 60.222 58.200 0.081 0.000 1.070 329 S CB -0.396 62.837 63.200 0.054 0.000 0.904 329 S HN 0.384 nan 8.310 nan 0.000 0.456 330 S N -0.166 115.590 115.700 0.094 0.000 2.387 330 S HA -0.045 4.424 4.470 -0.001 0.000 0.226 330 S C 1.539 176.204 174.600 0.108 0.000 1.026 330 S CA 0.962 59.210 58.200 0.080 0.000 0.972 330 S CB -0.413 62.827 63.200 0.066 0.000 0.814 330 S HN 0.536 nan 8.310 nan 0.000 0.477 331 F N 3.105 123.058 119.950 0.005 0.000 2.060 331 F HA -0.072 4.455 4.527 -0.001 0.000 0.295 331 F C 1.996 177.806 175.800 0.016 0.000 1.120 331 F CA 1.991 59.996 58.000 0.008 0.000 1.205 331 F CB -0.921 38.083 39.000 0.007 0.000 0.986 331 F HN 0.188 nan 8.300 nan 0.000 0.470 332 N N 1.222 119.948 118.700 0.043 0.000 2.073 332 N HA -0.279 4.460 4.740 -0.001 0.000 0.199 332 N C 1.458 176.907 175.510 -0.102 0.000 1.023 332 N CA 1.958 54.975 53.050 -0.056 0.000 0.880 332 N CB -0.911 37.618 38.487 0.071 0.000 1.052 332 N HN 0.394 nan 8.380 nan 0.000 0.449 333 N N 0.695 119.371 118.700 -0.040 0.000 2.216 333 N HA -0.026 4.713 4.740 -0.001 0.000 0.183 333 N C 1.882 177.372 175.510 -0.033 0.000 1.017 333 N CA 0.234 53.272 53.050 -0.021 0.000 0.861 333 N CB -0.287 38.207 38.487 0.012 0.000 0.986 333 N HN 0.322 nan 8.380 nan 0.000 0.428 334 I N 1.112 121.643 120.570 -0.065 0.000 2.361 334 I HA -0.239 3.930 4.170 -0.001 0.000 0.251 334 I C 1.320 177.410 176.117 -0.045 0.000 1.133 334 I CA 1.049 62.325 61.300 -0.040 0.000 1.413 334 I CB 0.049 38.006 38.000 -0.072 0.000 1.073 334 I HN 0.049 nan 8.210 nan 0.000 0.424 335 N N 1.255 119.842 118.700 -0.189 0.000 2.142 335 N HA -0.084 4.655 4.740 -0.001 0.000 0.186 335 N C 1.728 177.182 175.510 -0.094 0.000 1.023 335 N CA 1.551 54.487 53.050 -0.191 0.000 0.852 335 N CB -0.317 37.961 38.487 -0.349 0.000 0.998 335 N HN 0.402 nan 8.380 nan 0.000 0.424 336 A N -0.628 122.147 122.820 -0.075 0.000 2.119 336 A HA 0.045 4.364 4.320 -0.001 0.000 0.216 336 A C 2.345 179.925 177.584 -0.007 0.000 1.152 336 A CA 1.127 53.139 52.037 -0.041 0.000 0.708 336 A CB -0.372 18.612 19.000 -0.028 0.000 0.805 336 A HN 0.244 nan 8.150 nan 0.000 0.460 337 S N -0.679 115.037 115.700 0.026 0.000 2.425 337 S HA 0.059 4.528 4.470 -0.001 0.000 0.225 337 S C 1.778 176.421 174.600 0.073 0.000 1.024 337 S CA 0.659 58.911 58.200 0.086 0.000 0.951 337 S CB -0.370 62.926 63.200 0.160 0.000 0.796 337 S HN 0.528 nan 8.310 nan 0.000 0.498 338 I N 0.344 120.940 120.570 0.043 0.000 2.233 338 I HA -0.067 4.103 4.170 -0.001 0.000 0.243 338 I C 2.414 178.500 176.117 -0.052 0.000 1.093 338 I CA 0.860 62.144 61.300 -0.028 0.000 1.380 338 I CB -0.433 37.549 38.000 -0.029 0.000 1.067 338 I HN 0.224 nan 8.210 nan 0.000 0.413 339 S N -0.346 115.323 115.700 -0.052 0.000 2.507 339 S HA -0.117 4.352 4.470 -0.001 0.000 0.235 339 S C 2.076 176.618 174.600 -0.097 0.000 0.988 339 S CA 1.206 59.364 58.200 -0.071 0.000 0.944 339 S CB -0.160 62.999 63.200 -0.069 0.000 0.762 339 S HN 0.351 nan 8.310 nan 0.000 0.526 340 S N 0.515 116.171 115.700 -0.074 0.000 2.412 340 S HA 0.230 4.700 4.470 -0.001 0.000 0.223 340 S C 1.638 176.202 174.600 -0.060 0.000 1.048 340 S CA 0.126 58.259 58.200 -0.112 0.000 0.954 340 S CB -0.183 63.014 63.200 -0.004 0.000 0.840 340 S HN 0.509 nan 8.310 nan 0.000 0.503 341 I N 2.377 122.958 120.570 0.018 0.000 2.315 341 I HA -0.270 3.899 4.170 -0.001 0.000 0.251 341 I C 2.003 178.117 176.117 -0.005 0.000 1.125 341 I CA 1.296 62.616 61.300 0.034 0.000 1.392 341 I CB -0.614 37.385 38.000 -0.001 0.000 1.065 341 I HN 0.410 nan 8.210 nan 0.000 0.424 342 N N 0.654 119.323 118.700 -0.052 0.000 2.080 342 N HA -0.123 4.616 4.740 -0.001 0.000 0.189 342 N C 2.075 177.537 175.510 -0.080 0.000 1.036 342 N CA 1.124 54.137 53.050 -0.061 0.000 0.846 342 N CB -0.177 38.269 38.487 -0.069 0.000 1.015 342 N HN 0.311 nan 8.380 nan 0.000 0.423 343 A N 0.816 123.546 122.820 -0.150 0.000 1.883 343 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 343 A C 1.677 179.155 177.584 -0.178 0.000 1.186 343 A CA 1.379 53.289 52.037 -0.212 0.000 0.624 343 A CB -0.953 17.841 19.000 -0.343 0.000 0.822 343 A HN 0.341 nan 8.150 nan 0.000 0.444 344 Y N -0.145 120.128 120.300 -0.046 0.000 2.293 344 Y HA -0.085 4.464 4.550 -0.001 0.000 0.291 344 Y C 2.283 178.141 175.900 -0.070 0.000 1.137 344 Y CA 1.139 59.205 58.100 -0.057 0.000 1.202 344 Y CB -0.379 38.046 38.460 -0.058 0.000 0.990 344 Y HN 0.291 nan 8.280 nan 0.000 0.537 345 K N 0.386 120.827 120.400 0.067 0.000 2.103 345 K HA -0.292 4.027 4.320 -0.001 0.000 0.207 345 K C 2.135 178.729 176.600 -0.009 0.000 1.048 345 K CA 1.894 58.186 56.287 0.009 0.000 0.930 345 K CB -0.070 32.425 32.500 -0.009 0.000 0.716 345 K HN 0.426 nan 8.250 nan 0.000 0.444 346 Q N -0.733 119.059 119.800 -0.012 0.000 2.250 346 Q HA 0.023 4.363 4.340 -0.001 0.000 0.200 346 Q C 1.675 177.666 176.000 -0.015 0.000 0.941 346 Q CA 0.811 56.600 55.803 -0.022 0.000 0.872 346 Q CB 0.064 28.782 28.738 -0.033 0.000 0.965 346 Q HN 0.327 nan 8.270 nan 0.000 0.480 347 A N 0.042 122.867 122.820 0.008 0.000 2.067 347 A HA -0.065 4.254 4.320 -0.001 0.000 0.219 347 A C 2.059 179.641 177.584 -0.004 0.000 1.158 347 A CA 1.030 53.080 52.037 0.021 0.000 0.661 347 A CB -0.494 18.558 19.000 0.086 0.000 0.801 347 A HN 0.331 nan 8.150 nan 0.000 0.452 348 V N -0.876 119.025 119.914 -0.022 0.000 2.379 348 V HA -0.155 3.965 4.120 -0.001 0.000 0.245 348 V C 2.448 178.495 176.094 -0.079 0.000 1.044 348 V CA 1.979 64.231 62.300 -0.079 0.000 1.036 348 V CB -0.115 31.643 31.823 -0.109 0.000 0.664 348 V HN 0.322 nan 8.190 nan 0.000 0.453 349 V N 0.015 119.896 119.914 -0.055 0.000 2.287 349 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 349 V C 2.822 178.892 176.094 -0.040 0.000 1.053 349 V CA 2.657 64.928 62.300 -0.047 0.000 1.027 349 V CB -0.415 31.387 31.823 -0.035 0.000 0.646 349 V HN 0.775 nan 8.190 nan 0.000 0.447 350 S N 0.331 116.012 115.700 -0.032 0.000 2.348 350 S HA -0.205 4.264 4.470 -0.001 0.000 0.221 350 S C 2.130 176.713 174.600 -0.028 0.000 1.033 350 S CA 1.869 60.054 58.200 -0.024 0.000 1.010 350 S CB -0.556 62.634 63.200 -0.017 0.000 0.891 350 S HN 0.650 nan 8.310 nan 0.000 0.442 351 A N 0.613 123.411 122.820 -0.037 0.000 2.076 351 A HA -0.118 4.201 4.320 -0.001 0.000 0.220 351 A C 2.175 179.726 177.584 -0.054 0.000 1.160 351 A CA 2.021 54.032 52.037 -0.043 0.000 0.653 351 A CB -0.889 18.076 19.000 -0.060 0.000 0.801 351 A HN 0.660 nan 8.150 nan 0.000 0.455 352 Q N 0.580 120.341 119.800 -0.065 0.000 2.033 352 Q HA -0.087 4.252 4.340 -0.001 0.000 0.196 352 Q C 2.292 178.271 176.000 -0.035 0.000 0.970 352 Q CA 2.378 58.141 55.803 -0.066 0.000 0.828 352 Q CB -0.447 28.243 28.738 -0.080 0.000 0.895 352 Q HN 0.679 nan 8.270 nan 0.000 0.440 353 S N -1.005 114.679 115.700 -0.028 0.000 2.428 353 S HA -0.081 4.388 4.470 -0.001 0.000 0.230 353 S C 2.105 176.701 174.600 -0.007 0.000 1.014 353 S CA 1.082 59.273 58.200 -0.014 0.000 0.957 353 S CB -0.563 62.629 63.200 -0.013 0.000 0.784 353 S HN 0.329 nan 8.310 nan 0.000 0.499 354 S N 1.174 116.868 115.700 -0.010 0.000 2.383 354 S HA -0.001 4.468 4.470 -0.001 0.000 0.227 354 S C 1.730 176.332 174.600 0.003 0.000 1.026 354 S CA 0.941 59.139 58.200 -0.003 0.000 0.981 354 S CB -0.586 62.611 63.200 -0.005 0.000 0.818 354 S HN 0.446 nan 8.310 nan 0.000 0.472 355 L N 2.305 123.527 121.223 -0.002 0.000 1.988 355 L HA -0.036 4.303 4.340 -0.001 0.000 0.207 355 L C 1.959 178.838 176.870 0.015 0.000 1.071 355 L CA 2.281 57.125 54.840 0.006 0.000 0.744 355 L CB -1.092 40.970 42.059 0.005 0.000 0.893 355 L HN 0.195 nan 8.230 nan 0.000 0.433 356 D N -0.144 120.263 120.400 0.011 0.000 2.191 356 D HA -0.284 4.355 4.640 -0.001 0.000 0.195 356 D C 2.050 178.367 176.300 0.029 0.000 1.003 356 D CA 1.706 55.718 54.000 0.020 0.000 0.867 356 D CB -0.109 40.697 40.800 0.010 0.000 0.926 356 D HN 0.555 nan 8.370 nan 0.000 0.450 357 A N 0.633 123.468 122.820 0.024 0.000 1.873 357 A HA -0.086 4.233 4.320 -0.001 0.000 0.215 357 A C 2.165 179.777 177.584 0.046 0.000 1.186 357 A CA 1.083 53.138 52.037 0.030 0.000 0.616 357 A CB -0.383 18.629 19.000 0.021 0.000 0.823 357 A HN 0.162 nan 8.150 nan 0.000 0.442 358 M N -0.678 118.949 119.600 0.045 0.000 2.618 358 M HA 0.034 4.513 4.480 -0.001 0.000 0.240 358 M C 1.340 177.699 176.300 0.098 0.000 1.123 358 M CA 0.573 55.912 55.300 0.065 0.000 1.060 358 M CB -0.221 32.403 32.600 0.040 0.000 1.535 358 M HN 0.518 nan 8.290 nan 0.000 0.507 359 E N 0.708 120.964 120.200 0.093 0.000 2.166 359 E HA 0.020 4.369 4.350 -0.001 0.000 0.192 359 E C 2.153 178.867 176.600 0.190 0.000 0.967 359 E CA 0.652 57.139 56.400 0.146 0.000 0.840 359 E CB 0.188 29.942 29.700 0.090 0.000 0.795 359 E HN 0.466 nan 8.360 nan 0.000 0.470 360 A N 1.092 123.979 122.820 0.112 0.000 1.902 360 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 360 A C 2.362 179.996 177.584 0.083 0.000 1.181 360 A CA 1.699 53.785 52.037 0.082 0.000 0.623 360 A CB -1.103 17.928 19.000 0.051 0.000 0.818 360 A HN 0.353 nan 8.150 nan 0.000 0.443 361 G N -0.958 107.901 108.800 0.099 0.000 2.422 361 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.218 361 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.218 361 G C 1.450 176.420 174.900 0.117 0.000 1.146 361 G CA 1.291 46.445 45.100 0.090 0.000 0.769 361 G HN 0.677 nan 8.290 nan 0.000 0.547 362 F N 2.524 122.480 119.950 0.009 0.000 2.270 362 F HA 0.049 4.576 4.527 -0.001 0.000 0.295 362 F C 2.581 178.387 175.800 0.009 0.000 1.087 362 F CA 1.455 59.461 58.000 0.010 0.000 1.365 362 F CB -0.269 38.738 39.000 0.011 0.000 1.056 362 F HN 0.156 nan 8.300 nan 0.000 0.506 363 S N -0.227 115.288 115.700 -0.308 0.000 2.603 363 S HA 0.064 4.534 4.470 -0.001 0.000 0.229 363 S C 0.554 175.012 174.600 -0.237 0.000 0.972 363 S CA 0.588 58.544 58.200 -0.406 0.000 0.935 363 S CB -0.654 62.493 63.200 -0.087 0.000 0.769 363 S HN 0.166 nan 8.310 nan 0.000 0.536 364 V N -0.158 119.661 119.914 -0.159 0.000 2.724 364 V HA 0.673 4.793 4.120 -0.001 0.000 0.341 364 V C 1.314 177.361 176.094 -0.078 0.000 1.254 364 V CA -0.380 61.860 62.300 -0.100 0.000 1.261 364 V CB -0.626 31.168 31.823 -0.048 0.000 1.445 364 V HN 0.460 nan 8.190 nan 0.000 0.652 365 G N 1.210 109.944 108.800 -0.111 0.000 2.377 365 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.250 365 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.250 365 G C 1.005 175.896 174.900 -0.015 0.000 1.039 365 G CA 1.306 46.368 45.100 -0.063 0.000 0.625 365 G HN 0.453 nan 8.290 nan 0.000 0.526 366 T N 0.476 115.030 114.554 0.001 0.000 2.652 366 T HA 0.196 4.546 4.350 -0.001 0.000 0.267 366 T C 1.234 175.962 174.700 0.046 0.000 1.039 366 T CA 1.907 64.021 62.100 0.023 0.000 1.153 366 T CB -0.138 68.746 68.868 0.026 0.000 0.863 366 T HN 0.533 nan 8.240 nan 0.000 0.428 367 S N 0.155 115.904 115.700 0.082 0.000 2.568 367 S HA 0.498 4.967 4.470 -0.001 0.000 0.293 367 S C 0.126 174.828 174.600 0.171 0.000 1.089 367 S CA -1.012 57.249 58.200 0.102 0.000 0.945 367 S CB 1.980 65.234 63.200 0.090 0.000 1.077 367 S HN 0.582 nan 8.310 nan 0.000 0.485 368 T N -0.306 114.333 114.554 0.142 0.000 2.667 368 T HA 0.271 4.620 4.350 -0.001 0.000 0.305 368 T C 1.266 176.098 174.700 0.220 0.000 1.022 368 T CA -0.430 61.782 62.100 0.185 0.000 0.995 368 T CB 0.137 69.068 68.868 0.104 0.000 1.026 368 T HN 0.561 nan 8.240 nan 0.000 0.527 369 I N -0.204 120.475 120.570 0.181 0.000 2.617 369 I HA -0.020 4.149 4.170 -0.001 0.000 0.256 369 I C 1.822 177.875 176.117 -0.106 0.000 1.167 369 I CA 0.659 61.877 61.300 -0.136 0.000 1.469 369 I CB -0.021 37.906 38.000 -0.121 0.000 1.098 369 I HN 0.457 nan 8.210 nan 0.000 0.436 370 V N 0.861 120.766 119.914 -0.016 0.000 3.380 370 V HA -0.148 3.971 4.120 -0.001 0.000 0.268 370 V C 1.476 177.565 176.094 -0.009 0.000 1.168 370 V CA 1.218 63.509 62.300 -0.015 0.000 1.156 370 V CB -0.678 31.149 31.823 0.007 0.000 0.785 370 V HN 0.385 nan 8.190 nan 0.000 0.487 371 D N -0.645 119.754 120.400 -0.001 0.000 2.262 371 D HA -0.029 4.611 4.640 -0.001 0.000 0.212 371 D C 2.052 178.338 176.300 -0.023 0.000 0.964 371 D CA 0.763 54.766 54.000 0.005 0.000 0.875 371 D CB 0.182 41.003 40.800 0.035 0.000 0.996 371 D HN 0.246 nan 8.370 nan 0.000 0.497 372 V N 0.582 120.451 119.914 -0.076 0.000 2.591 372 V HA -0.075 4.045 4.120 -0.001 0.000 0.249 372 V C 2.167 178.197 176.094 -0.108 0.000 1.053 372 V CA 0.909 63.133 62.300 -0.127 0.000 1.068 372 V CB -0.110 31.520 31.823 -0.321 0.000 0.689 372 V HN 0.150 nan 8.190 nan 0.000 0.462 373 L N -0.407 120.753 121.223 -0.105 0.000 1.988 373 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 373 L C 2.421 179.274 176.870 -0.027 0.000 1.071 373 L CA 1.990 56.790 54.840 -0.067 0.000 0.744 373 L CB -0.877 41.146 42.059 -0.061 0.000 0.893 373 L HN 0.317 nan 8.230 nan 0.000 0.433 374 D N 0.671 121.059 120.400 -0.019 0.000 2.106 374 D HA -0.229 4.411 4.640 -0.001 0.000 0.191 374 D C 2.157 178.461 176.300 0.006 0.000 0.997 374 D CA 1.691 55.690 54.000 -0.003 0.000 0.834 374 D CB -0.326 40.473 40.800 -0.001 0.000 0.956 374 D HN 0.324 nan 8.370 nan 0.000 0.448 375 A N 0.097 122.918 122.820 0.002 0.000 1.978 375 A HA -0.200 4.120 4.320 -0.001 0.000 0.220 375 A C 2.347 179.946 177.584 0.026 0.000 1.170 375 A CA 2.223 54.265 52.037 0.008 0.000 0.636 375 A CB -0.866 18.135 19.000 0.003 0.000 0.810 375 A HN 0.264 nan 8.150 nan 0.000 0.448 376 T N -1.029 113.548 114.554 0.037 0.000 2.698 376 T HA -0.086 4.263 4.350 -0.001 0.000 0.260 376 T C 2.098 176.897 174.700 0.164 0.000 1.044 376 T CA 1.771 63.934 62.100 0.106 0.000 1.149 376 T CB -0.539 68.369 68.868 0.066 0.000 0.864 376 T HN 0.503 nan 8.240 nan 0.000 0.419 377 T N 1.671 116.272 114.554 0.079 0.000 2.653 377 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 377 T C 2.195 176.942 174.700 0.080 0.000 1.035 377 T CA 1.949 64.089 62.100 0.068 0.000 1.154 377 T CB -0.752 68.128 68.868 0.020 0.000 0.862 377 T HN 0.379 nan 8.240 nan 0.000 0.441 378 T N 2.006 116.588 114.554 0.047 0.000 2.684 378 T HA -0.104 4.245 4.350 -0.001 0.000 0.267 378 T C 1.826 176.528 174.700 0.003 0.000 1.036 378 T CA 1.295 63.409 62.100 0.023 0.000 1.148 378 T CB -0.493 68.382 68.868 0.012 0.000 0.863 378 T HN 0.179 nan 8.240 nan 0.000 0.436 379 L N 0.349 121.570 121.223 -0.003 0.000 1.955 379 L HA -0.110 4.230 4.340 -0.001 0.000 0.213 379 L C 2.039 178.797 176.870 -0.186 0.000 1.072 379 L CA 1.882 56.653 54.840 -0.115 0.000 0.755 379 L CB -1.111 40.846 42.059 -0.171 0.000 0.888 379 L HN 0.319 nan 8.230 nan 0.000 0.432 380 Y N 0.157 120.383 120.300 -0.125 0.000 2.365 380 Y HA -0.249 4.301 4.550 -0.001 0.000 0.287 380 Y C 2.373 178.182 175.900 -0.151 0.000 1.162 380 Y CA 1.465 59.463 58.100 -0.169 0.000 1.260 380 Y CB -0.618 37.783 38.460 -0.097 0.000 0.976 380 Y HN 0.426 nan 8.280 nan 0.000 0.548 381 N N -0.216 118.489 118.700 0.009 0.000 2.135 381 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 381 N C 2.066 177.503 175.510 -0.121 0.000 1.027 381 N CA 1.313 54.342 53.050 -0.035 0.000 0.849 381 N CB -0.750 37.728 38.487 -0.014 0.000 1.002 381 N HN 0.320 nan 8.380 nan 0.000 0.425 382 A N 1.493 124.238 122.820 -0.125 0.000 1.940 382 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 382 A C 2.081 179.526 177.584 -0.232 0.000 1.176 382 A CA 1.246 53.191 52.037 -0.153 0.000 0.631 382 A CB -0.319 18.639 19.000 -0.071 0.000 0.814 382 A HN 0.075 nan 8.150 nan 0.000 0.446 383 K N -0.388 119.822 120.400 -0.318 0.000 2.063 383 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 383 K C 2.248 178.627 176.600 -0.368 0.000 1.048 383 K CA 1.816 57.788 56.287 -0.526 0.000 0.928 383 K CB -0.296 31.645 32.500 -0.932 0.000 0.713 383 K HN 0.696 nan 8.250 nan 0.000 0.442 384 Q N 0.110 119.813 119.800 -0.162 0.000 1.984 384 Q HA -0.149 4.191 4.340 -0.001 0.000 0.196 384 Q C 2.036 177.997 176.000 -0.065 0.000 0.975 384 Q CA 0.992 56.856 55.803 0.102 0.000 0.827 384 Q CB -0.112 28.693 28.738 0.112 0.000 0.894 384 Q HN 0.161 nan 8.270 nan 0.000 0.438 385 E N 0.875 120.936 120.200 -0.231 0.000 2.169 385 E HA -0.247 4.103 4.350 -0.001 0.000 0.202 385 E C 1.722 178.019 176.600 -0.505 0.000 1.016 385 E CA 1.092 57.197 56.400 -0.493 0.000 0.817 385 E CB -0.270 28.898 29.700 -0.887 0.000 0.736 385 E HN 0.192 nan 8.360 nan 0.000 0.462 386 L N 0.002 121.016 121.223 -0.348 0.000 1.973 386 L HA -0.049 4.290 4.340 -0.001 0.000 0.208 386 L C 2.188 178.959 176.870 -0.166 0.000 1.073 386 L CA 2.580 57.322 54.840 -0.164 0.000 0.746 386 L CB -1.249 40.746 42.059 -0.106 0.000 0.891 386 L HN 0.125 nan 8.230 nan 0.000 0.433 387 A N -0.418 122.314 122.820 -0.146 0.000 1.978 387 A HA -0.298 4.021 4.320 -0.001 0.000 0.220 387 A C 2.155 179.526 177.584 -0.356 0.000 1.170 387 A CA 2.004 53.877 52.037 -0.274 0.000 0.636 387 A CB -1.277 17.666 19.000 -0.095 0.000 0.810 387 A HN 0.753 nan 8.150 nan 0.000 0.448 388 N N 0.251 118.887 118.700 -0.106 0.000 2.058 388 N HA -0.093 4.646 4.740 -0.001 0.000 0.191 388 N C 1.760 177.258 175.510 -0.020 0.000 1.037 388 N CA 2.189 55.245 53.050 0.011 0.000 0.848 388 N CB -0.408 38.092 38.487 0.022 0.000 1.021 388 N HN 0.322 nan 8.380 nan 0.000 0.422 389 A N 0.613 123.405 122.820 -0.047 0.000 1.940 389 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 389 A C 2.261 179.847 177.584 0.003 0.000 1.176 389 A CA 1.273 53.332 52.037 0.037 0.000 0.631 389 A CB -0.657 18.429 19.000 0.144 0.000 0.814 389 A HN 0.380 nan 8.150 nan 0.000 0.446 390 R N -1.741 118.658 120.500 -0.169 0.000 2.083 390 R HA -0.193 4.146 4.340 -0.001 0.000 0.237 390 R C 2.038 178.253 176.300 -0.141 0.000 1.137 390 R CA 2.000 57.940 56.100 -0.267 0.000 0.951 390 R CB -0.560 29.302 30.300 -0.730 0.000 0.851 390 R HN 0.661 nan 8.270 nan 0.000 0.434 391 Y N 1.079 121.309 120.300 -0.116 0.000 2.165 391 Y HA -0.206 4.344 4.550 -0.001 0.000 0.286 391 Y C 2.158 178.029 175.900 -0.049 0.000 1.155 391 Y CA 1.035 59.021 58.100 -0.190 0.000 1.164 391 Y CB -0.728 37.645 38.460 -0.144 0.000 0.978 391 Y HN 0.097 nan 8.280 nan 0.000 0.513 392 N N -0.781 118.020 118.700 0.169 0.000 2.149 392 N HA -0.242 4.498 4.740 -0.001 0.000 0.188 392 N C 1.791 177.391 175.510 0.151 0.000 1.019 392 N CA 1.539 54.678 53.050 0.148 0.000 0.857 392 N CB -0.995 37.569 38.487 0.128 0.000 0.997 392 N HN 0.549 nan 8.380 nan 0.000 0.426 393 Y N 1.418 121.752 120.300 0.057 0.000 2.145 393 Y HA -0.090 4.459 4.550 -0.001 0.000 0.286 393 Y C 2.115 178.055 175.900 0.066 0.000 1.145 393 Y CA 1.309 59.447 58.100 0.063 0.000 1.148 393 Y CB -0.474 38.044 38.460 0.098 0.000 0.981 393 Y HN -0.035 nan 8.280 nan 0.000 0.507 394 L N -0.001 121.280 121.223 0.097 0.000 2.013 394 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 394 L C 2.504 179.368 176.870 -0.010 0.000 1.073 394 L CA 1.867 56.691 54.840 -0.027 0.000 0.753 394 L CB -0.592 41.420 42.059 -0.078 0.000 0.890 394 L HN 0.323 nan 8.230 nan 0.000 0.432 395 I N -0.336 120.281 120.570 0.078 0.000 2.546 395 I HA -0.227 3.943 4.170 -0.001 0.000 0.255 395 I C 1.986 178.116 176.117 0.023 0.000 1.163 395 I CA 0.673 62.043 61.300 0.118 0.000 1.457 395 I CB -0.206 37.896 38.000 0.171 0.000 1.092 395 I HN 0.311 nan 8.210 nan 0.000 0.434 396 N N 0.335 119.016 118.700 -0.032 0.000 2.409 396 N HA -0.125 4.614 4.740 -0.001 0.000 0.179 396 N C 1.700 177.138 175.510 -0.120 0.000 1.032 396 N CA 0.827 53.842 53.050 -0.059 0.000 0.898 396 N CB 0.011 38.470 38.487 -0.046 0.000 0.971 396 N HN 0.442 nan 8.380 nan 0.000 0.441 397 Q N -0.443 119.228 119.800 -0.215 0.000 2.172 397 Q HA -0.008 4.332 4.340 -0.001 0.000 0.200 397 Q C 1.210 177.149 176.000 -0.100 0.000 0.964 397 Q CA 0.673 56.348 55.803 -0.215 0.000 0.855 397 Q CB 0.182 28.732 28.738 -0.313 0.000 0.918 397 Q HN 0.179 nan 8.270 nan 0.000 0.444 398 L N 0.294 121.479 121.223 -0.063 0.000 2.162 398 L HA -0.057 4.282 4.340 -0.001 0.000 0.205 398 L C 1.467 178.322 176.870 -0.026 0.000 1.086 398 L CA 1.469 56.288 54.840 -0.035 0.000 0.778 398 L CB -0.527 41.527 42.059 -0.008 0.000 0.928 398 L HN 0.169 nan 8.230 nan 0.000 0.446 399 N N -0.533 118.156 118.700 -0.017 0.000 2.166 399 N HA -0.173 4.567 4.740 -0.001 0.000 0.186 399 N C 1.880 177.388 175.510 -0.003 0.000 1.019 399 N CA 1.080 54.127 53.050 -0.005 0.000 0.856 399 N CB -0.079 38.411 38.487 0.005 0.000 0.993 399 N HN 0.244 nan 8.380 nan 0.000 0.426 400 I N 1.441 122.007 120.570 -0.007 0.000 2.127 400 I HA -0.281 3.888 4.170 -0.001 0.000 0.241 400 I C 2.107 178.223 176.117 -0.001 0.000 1.075 400 I CA 1.147 62.452 61.300 0.008 0.000 1.334 400 I CB -0.116 37.894 38.000 0.016 0.000 1.040 400 I HN 0.087 nan 8.210 nan 0.000 0.405 401 K N 0.003 120.394 120.400 -0.016 0.000 2.152 401 K HA -0.171 4.149 4.320 -0.001 0.000 0.206 401 K C 2.304 178.892 176.600 -0.019 0.000 1.048 401 K CA 1.465 57.740 56.287 -0.020 0.000 0.933 401 K CB -0.517 31.962 32.500 -0.034 0.000 0.721 401 K HN 0.250 nan 8.250 nan 0.000 0.447 402 S N 0.793 116.481 115.700 -0.019 0.000 2.345 402 S HA -0.095 4.374 4.470 -0.001 0.000 0.220 402 S C 2.107 176.702 174.600 -0.009 0.000 1.031 402 S CA 1.225 59.414 58.200 -0.017 0.000 0.996 402 S CB -0.158 63.033 63.200 -0.016 0.000 0.882 402 S HN 0.381 nan 8.310 nan 0.000 0.445 403 A N 1.476 124.295 122.820 -0.001 0.000 1.940 403 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 403 A C 2.169 179.755 177.584 0.002 0.000 1.176 403 A CA 1.333 53.372 52.037 0.005 0.000 0.631 403 A CB -0.752 18.258 19.000 0.016 0.000 0.814 403 A HN 0.580 nan 8.150 nan 0.000 0.446 404 L N -1.779 119.445 121.223 0.001 0.000 2.141 404 L HA -0.016 4.323 4.340 -0.001 0.000 0.209 404 L C 1.973 178.840 176.870 -0.005 0.000 1.094 404 L CA 1.093 55.932 54.840 -0.001 0.000 0.763 404 L CB -0.603 41.455 42.059 -0.001 0.000 0.908 404 L HN 0.661 nan 8.230 nan 0.000 0.437 405 G N -0.326 108.468 108.800 -0.009 0.000 2.157 405 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.248 405 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.248 405 G C 0.838 175.730 174.900 -0.013 0.000 0.979 405 G CA 0.706 45.800 45.100 -0.011 0.000 0.650 405 G HN 0.382 nan 8.290 nan 0.000 0.529 406 T N -1.746 112.799 114.554 -0.016 0.000 3.069 406 T HA 0.477 4.826 4.350 -0.001 0.000 0.252 406 T C 1.134 175.816 174.700 -0.031 0.000 1.053 406 T CA 0.512 62.601 62.100 -0.019 0.000 0.964 406 T CB 0.258 69.117 68.868 -0.014 0.000 1.005 406 T HN 0.991 nan 8.240 nan 0.000 0.532 407 L N 4.513 125.713 121.223 -0.038 0.000 2.700 407 L HA 0.283 4.623 4.340 -0.001 0.000 0.276 407 L C -0.058 176.770 176.870 -0.070 0.000 1.200 407 L CA 0.357 55.162 54.840 -0.058 0.000 0.951 407 L CB -1.057 40.967 42.059 -0.059 0.000 1.226 407 L HN 0.784 nan 8.230 nan 0.000 0.489 408 N N 0.695 119.342 118.700 -0.089 0.000 3.243 408 N HA 0.231 4.971 4.740 -0.001 0.000 0.280 408 N C 0.213 175.637 175.510 -0.143 0.000 1.545 408 N CA -0.376 52.619 53.050 -0.090 0.000 0.854 408 N CB 0.348 38.805 38.487 -0.049 0.000 1.612 408 N HN 0.406 nan 8.380 nan 0.000 0.577 409 E N -1.149 118.978 120.200 -0.122 0.000 2.160 409 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 409 E C 0.910 177.438 176.600 -0.121 0.000 0.991 409 E CA 1.453 57.760 56.400 -0.155 0.000 0.810 409 E CB 0.073 29.764 29.700 -0.015 0.000 0.742 409 E HN 0.477 nan 8.360 nan 0.000 0.466 410 Q N 0.640 120.395 119.800 -0.074 0.000 2.119 410 Q HA -0.145 4.195 4.340 -0.001 0.000 0.201 410 Q C 1.651 177.613 176.000 -0.063 0.000 0.972 410 Q CA 1.048 56.820 55.803 -0.052 0.000 0.847 410 Q CB -0.252 28.467 28.738 -0.031 0.000 0.903 410 Q HN 0.375 nan 8.270 nan 0.000 0.433 411 D N 0.445 120.797 120.400 -0.080 0.000 2.149 411 D HA -0.110 4.530 4.640 -0.001 0.000 0.198 411 D C 2.038 178.285 176.300 -0.089 0.000 0.990 411 D CA 0.714 54.669 54.000 -0.076 0.000 0.839 411 D CB 0.027 40.778 40.800 -0.082 0.000 0.948 411 D HN 0.231 nan 8.370 nan 0.000 0.460 412 L N 0.029 121.164 121.223 -0.147 0.000 2.072 412 L HA -0.116 4.224 4.340 -0.001 0.000 0.205 412 L C 2.452 179.259 176.870 -0.106 0.000 1.079 412 L CA 0.294 55.031 54.840 -0.171 0.000 0.752 412 L CB -0.278 41.592 42.059 -0.316 0.000 0.906 412 L HN 0.050 nan 8.230 nan 0.000 0.436 413 L N 0.276 121.449 121.223 -0.082 0.000 2.079 413 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 413 L C 2.569 179.427 176.870 -0.020 0.000 1.081 413 L CA 2.035 56.851 54.840 -0.041 0.000 0.752 413 L CB -0.521 41.522 42.059 -0.026 0.000 0.896 413 L HN 0.172 nan 8.230 nan 0.000 0.433 414 A N -1.131 121.678 122.820 -0.019 0.000 1.929 414 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 414 A C 2.285 179.883 177.584 0.022 0.000 1.176 414 A CA 1.561 53.598 52.037 0.001 0.000 0.628 414 A CB -0.781 18.216 19.000 -0.004 0.000 0.816 414 A HN 0.462 nan 8.150 nan 0.000 0.444 415 L N -0.273 120.965 121.223 0.025 0.000 2.201 415 L HA -0.148 4.191 4.340 -0.001 0.000 0.212 415 L C 2.237 179.161 176.870 0.091 0.000 1.105 415 L CA 1.420 56.308 54.840 0.080 0.000 0.775 415 L CB -0.272 41.845 42.059 0.097 0.000 0.913 415 L HN 0.503 nan 8.230 nan 0.000 0.440 416 N N 0.098 118.815 118.700 0.028 0.000 2.120 416 N HA -0.211 4.528 4.740 -0.001 0.000 0.188 416 N C 1.481 177.024 175.510 0.056 0.000 1.024 416 N CA 1.472 54.533 53.050 0.017 0.000 0.852 416 N CB -0.048 38.427 38.487 -0.020 0.000 1.003 416 N HN 0.257 nan 8.380 nan 0.000 0.424 417 N N 0.009 118.739 118.700 0.050 0.000 2.364 417 N HA -0.069 4.670 4.740 -0.001 0.000 0.183 417 N C 0.677 176.234 175.510 0.078 0.000 1.022 417 N CA 1.020 54.103 53.050 0.054 0.000 0.883 417 N CB -0.341 38.168 38.487 0.038 0.000 0.965 417 N HN 0.335 nan 8.380 nan 0.000 0.438 418 A N -0.154 122.730 122.820 0.107 0.000 2.337 418 A HA 0.325 4.644 4.320 -0.001 0.000 0.227 418 A C 0.107 177.800 177.584 0.180 0.000 1.259 418 A CA -0.155 51.970 52.037 0.147 0.000 0.870 418 A CB -0.460 18.646 19.000 0.177 0.000 0.927 418 A HN 0.237 nan 8.150 nan 0.000 0.497 419 L N -4.584 116.734 121.223 0.158 0.000 2.393 419 L HA 0.906 5.245 4.340 -0.001 0.000 0.260 419 L C 0.192 177.139 176.870 0.128 0.000 1.002 419 L CA 0.208 55.149 54.840 0.168 0.000 0.818 419 L CB 1.644 43.847 42.059 0.240 0.000 1.369 419 L HN 0.086 nan 8.230 nan 0.000 0.412 420 S N -1.274 114.495 115.700 0.116 0.000 2.961 420 S HA 0.200 4.669 4.470 -0.001 0.000 0.253 420 S C 0.366 175.014 174.600 0.079 0.000 1.029 420 S CA -0.220 58.033 58.200 0.089 0.000 1.087 420 S CB -0.351 62.893 63.200 0.072 0.000 0.932 420 S HN 0.635 nan 8.310 nan 0.000 0.418 421 K N 4.074 124.519 120.400 0.076 0.000 2.378 421 K HA 0.316 4.635 4.320 -0.001 0.000 0.288 421 K C -2.900 173.736 176.600 0.060 0.000 1.057 421 K CA -1.922 54.401 56.287 0.060 0.000 0.971 421 K CB 0.334 32.865 32.500 0.051 0.000 0.975 421 K HN 0.112 nan 8.250 nan 0.000 0.475 422 P HA 0.012 nan 4.420 nan 0.000 0.269 422 P C -1.112 176.205 177.300 0.029 0.000 1.252 422 P CA -0.231 62.896 63.100 0.045 0.000 0.780 422 P CB 0.807 32.533 31.700 0.044 0.000 0.829 423 V N 3.050 122.974 119.914 0.017 0.000 2.547 423 V HA 0.346 4.465 4.120 -0.001 0.000 0.299 423 V C 0.655 176.743 176.094 -0.010 0.000 1.040 423 V CA -0.586 61.714 62.300 -0.001 0.000 0.913 423 V CB 1.914 33.730 31.823 -0.013 0.000 0.992 423 V HN 0.433 nan 8.190 nan 0.000 0.449 424 S N 1.832 117.526 115.700 -0.010 0.000 2.564 424 S HA 0.142 4.612 4.470 -0.001 0.000 0.278 424 S C 1.218 175.805 174.600 -0.022 0.000 1.333 424 S CA 0.253 58.448 58.200 -0.008 0.000 1.048 424 S CB 1.000 64.196 63.200 -0.007 0.000 0.900 424 S HN 1.082 nan 8.310 nan 0.000 0.505 425 T N 1.077 115.625 114.554 -0.011 0.000 3.086 425 T HA 0.228 4.577 4.350 -0.001 0.000 0.250 425 T C 0.474 175.166 174.700 -0.014 0.000 1.074 425 T CA -0.067 62.023 62.100 -0.017 0.000 0.988 425 T CB -0.214 68.659 68.868 0.010 0.000 0.988 425 T HN 0.477 nan 8.240 nan 0.000 0.530 426 N N 1.944 120.635 118.700 -0.016 0.000 2.646 426 N HA 0.353 5.092 4.740 -0.001 0.000 0.303 426 N C -3.157 172.338 175.510 -0.024 0.000 1.921 426 N CA -1.582 51.454 53.050 -0.022 0.000 0.872 426 N CB 0.651 39.123 38.487 -0.025 0.000 1.327 426 N HN 0.192 nan 8.380 nan 0.000 0.492 427 P HA 0.034 nan 4.420 nan 0.000 0.262 427 P C 0.280 177.564 177.300 -0.026 0.000 1.182 427 P CA 0.382 63.467 63.100 -0.025 0.000 0.761 427 P CB 0.693 32.374 31.700 -0.030 0.000 0.795 428 E N 0.000 120.186 120.200 -0.023 0.000 2.725 428 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 428 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 428 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440