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 2vde_1_C DATA FIRST_RESID 23 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 GFSVGTETIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPEL 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 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.675 176.600 0.124 0.000 1.382 23 E CA 0.000 56.495 56.400 0.159 0.000 0.976 23 E CB 0.000 29.838 29.700 0.231 0.000 0.812 24 N N 1.008 119.755 118.700 0.078 0.000 2.416 24 N HA -0.026 4.708 4.740 -0.010 0.000 0.246 24 N C 0.711 176.168 175.510 -0.089 0.000 1.260 24 N CA 0.085 53.151 53.050 0.028 0.000 0.897 24 N CB 0.751 39.246 38.487 0.015 0.000 1.110 24 N HN 0.604 nan 8.380 nan 0.000 0.439 25 L N 3.241 124.300 121.223 -0.272 0.000 1.990 25 L HA -0.049 4.285 4.340 -0.010 0.000 0.213 25 L C 1.790 178.461 176.870 -0.331 0.000 1.072 25 L CA 1.825 56.260 54.840 -0.676 0.000 0.755 25 L CB -0.462 41.057 42.059 -0.899 0.000 0.889 25 L HN 0.750 nan 8.230 nan 0.000 0.432 26 M N -0.974 118.524 119.600 -0.171 0.000 2.776 26 M HA -0.108 4.367 4.480 -0.010 0.000 0.233 26 M C 1.199 177.513 176.300 0.023 0.000 1.078 26 M CA 0.913 56.194 55.300 -0.032 0.000 1.058 26 M CB -0.265 32.321 32.600 -0.023 0.000 1.611 26 M HN 0.555 nan 8.290 nan 0.000 0.541 27 Q N -1.716 118.079 119.800 -0.008 0.000 2.369 27 Q HA 0.054 4.389 4.340 -0.010 0.000 0.254 27 Q C 1.929 177.966 176.000 0.062 0.000 0.858 27 Q CA 0.192 56.018 55.803 0.038 0.000 0.961 27 Q CB 0.704 29.478 28.738 0.060 0.000 1.119 27 Q HN 0.318 nan 8.270 nan 0.000 0.538 28 V N 0.475 120.370 119.914 -0.032 0.000 2.323 28 V HA -0.240 3.874 4.120 -0.010 0.000 0.244 28 V C 1.925 178.011 176.094 -0.013 0.000 1.041 28 V CA 1.902 64.138 62.300 -0.107 0.000 1.025 28 V CB -0.557 30.997 31.823 -0.448 0.000 0.656 28 V HN 0.379 nan 8.190 nan 0.000 0.451 29 Y N 0.997 121.205 120.300 -0.154 0.000 2.200 29 Y HA -0.232 4.312 4.550 -0.010 0.000 0.290 29 Y C 2.625 178.492 175.900 -0.054 0.000 1.137 29 Y CA 2.065 60.098 58.100 -0.112 0.000 1.163 29 Y CB -0.262 38.108 38.460 -0.150 0.000 0.988 29 Y HN 0.214 nan 8.280 nan 0.000 0.518 30 Q N 0.788 120.506 119.800 -0.137 0.000 2.096 30 Q HA -0.210 4.125 4.340 -0.010 0.000 0.204 30 Q C 1.543 177.434 176.000 -0.181 0.000 0.982 30 Q CA 2.136 57.821 55.803 -0.197 0.000 0.850 30 Q CB -0.220 28.505 28.738 -0.023 0.000 0.901 30 Q HN 0.651 nan 8.270 nan 0.000 0.422 31 Q N -1.676 118.080 119.800 -0.073 0.000 2.253 31 Q HA 0.287 4.621 4.340 -0.010 0.000 0.210 31 Q C 0.285 176.261 176.000 -0.040 0.000 0.907 31 Q CA 0.331 56.116 55.803 -0.030 0.000 0.948 31 Q CB 0.604 29.371 28.738 0.048 0.000 1.033 31 Q HN 0.359 nan 8.270 nan 0.000 0.471 32 A N 0.199 122.938 122.820 -0.135 0.000 2.010 32 A HA 0.009 4.323 4.320 -0.010 0.000 0.193 32 A C 1.741 179.211 177.584 -0.189 0.000 1.659 32 A CA -0.057 51.910 52.037 -0.117 0.000 1.175 32 A CB 0.173 19.134 19.000 -0.065 0.000 1.301 32 A HN 0.285 nan 8.150 nan 0.000 0.448 33 R N 1.070 121.336 120.500 -0.390 0.000 2.148 33 R HA 0.023 4.357 4.340 -0.010 0.000 0.223 33 R C 1.411 177.605 176.300 -0.178 0.000 1.088 33 R CA 2.123 58.006 56.100 -0.361 0.000 0.985 33 R CB -1.106 28.776 30.300 -0.698 0.000 0.880 33 R HN 0.514 nan 8.270 nan 0.000 0.451 34 L N -2.569 118.560 121.223 -0.156 0.000 2.558 34 L HA 0.391 4.725 4.340 -0.010 0.000 0.225 34 L C 1.413 178.253 176.870 -0.051 0.000 1.128 34 L CA 0.761 55.554 54.840 -0.079 0.000 0.868 34 L CB 0.227 42.244 42.059 -0.071 0.000 1.006 34 L HN 0.149 nan 8.230 nan 0.000 0.454 35 S N 0.201 115.866 115.700 -0.058 0.000 2.711 35 S HA 0.234 4.698 4.470 -0.010 0.000 0.247 35 S C 0.015 174.600 174.600 -0.024 0.000 1.079 35 S CA -0.645 57.535 58.200 -0.033 0.000 1.050 35 S CB -0.682 62.501 63.200 -0.029 0.000 0.885 35 S HN 0.528 nan 8.310 nan 0.000 0.498 36 N N 2.151 120.837 118.700 -0.024 0.000 2.439 36 N HA 0.264 4.998 4.740 -0.010 0.000 0.249 36 N C -2.315 173.200 175.510 0.008 0.000 1.003 36 N CA -1.773 51.271 53.050 -0.010 0.000 0.942 36 N CB 1.628 40.106 38.487 -0.015 0.000 1.115 36 N HN 0.118 nan 8.380 nan 0.000 0.505 37 P HA 0.019 nan 4.420 nan 0.000 0.223 37 P C 0.292 177.607 177.300 0.024 0.000 1.151 37 P CA 0.932 64.041 63.100 0.015 0.000 0.787 37 P CB 0.592 32.297 31.700 0.010 0.000 0.788 38 E N -0.596 119.620 120.200 0.025 0.000 2.042 38 E HA -0.047 4.297 4.350 -0.010 0.000 0.189 38 E C 1.809 178.442 176.600 0.055 0.000 0.974 38 E CA 0.467 56.887 56.400 0.033 0.000 0.806 38 E CB -1.250 28.465 29.700 0.025 0.000 0.769 38 E HN 0.057 nan 8.360 nan 0.000 0.451 39 L N 1.103 122.357 121.223 0.053 0.000 2.042 39 L HA -0.179 4.155 4.340 -0.010 0.000 0.210 39 L C 1.946 178.923 176.870 0.178 0.000 1.076 39 L CA 1.800 56.692 54.840 0.085 0.000 0.749 39 L CB -0.099 41.982 42.059 0.036 0.000 0.893 39 L HN -0.043 nan 8.230 nan 0.000 0.432 40 R N -0.609 119.961 120.500 0.116 0.000 2.096 40 R HA -0.159 4.175 4.340 -0.010 0.000 0.235 40 R C 2.380 178.729 176.300 0.081 0.000 1.127 40 R CA 1.414 57.575 56.100 0.102 0.000 0.968 40 R CB -0.435 29.896 30.300 0.051 0.000 0.861 40 R HN 0.319 nan 8.270 nan 0.000 0.440 41 K N 0.376 120.818 120.400 0.070 0.000 2.147 41 K HA -0.127 4.187 4.320 -0.010 0.000 0.205 41 K C 2.131 178.778 176.600 0.078 0.000 1.049 41 K CA 1.444 57.764 56.287 0.055 0.000 0.936 41 K CB -0.082 32.444 32.500 0.044 0.000 0.722 41 K HN 0.050 nan 8.250 nan 0.000 0.446 42 S N -0.139 115.644 115.700 0.139 0.000 2.402 42 S HA -0.083 4.381 4.470 -0.010 0.000 0.229 42 S C 1.827 176.541 174.600 0.191 0.000 1.021 42 S CA 1.108 59.437 58.200 0.215 0.000 0.974 42 S CB -0.095 63.286 63.200 0.302 0.000 0.800 42 S HN 0.441 nan 8.310 nan 0.000 0.484 43 A N 1.473 124.346 122.820 0.088 0.000 1.854 43 A HA 0.298 4.613 4.320 -0.010 0.000 0.214 43 A C 2.471 179.956 177.584 -0.165 0.000 1.192 43 A CA 1.592 53.440 52.037 -0.314 0.000 0.611 43 A CB -1.499 17.366 19.000 -0.226 0.000 0.832 43 A HN 0.742 nan 8.150 nan 0.000 0.442 44 A N -0.174 122.612 122.820 -0.057 0.000 2.032 44 A HA -0.214 4.100 4.320 -0.010 0.000 0.221 44 A C 1.670 179.246 177.584 -0.014 0.000 1.165 44 A CA 2.111 54.129 52.037 -0.031 0.000 0.645 44 A CB -0.600 18.395 19.000 -0.008 0.000 0.807 44 A HN 0.483 nan 8.150 nan 0.000 0.453 45 D N -0.963 119.438 120.400 0.001 0.000 2.123 45 D HA -0.100 4.534 4.640 -0.010 0.000 0.200 45 D C 2.125 178.438 176.300 0.021 0.000 0.976 45 D CA 1.123 55.134 54.000 0.018 0.000 0.831 45 D CB -0.289 40.536 40.800 0.041 0.000 0.974 45 D HN 0.525 nan 8.370 nan 0.000 0.469 46 R N 0.789 121.293 120.500 0.007 0.000 2.092 46 R HA -0.119 4.215 4.340 -0.010 0.000 0.231 46 R C 1.018 177.403 176.300 0.142 0.000 1.119 46 R CA 1.286 57.427 56.100 0.068 0.000 0.970 46 R CB 0.024 30.312 30.300 -0.020 0.000 0.864 46 R HN 0.017 nan 8.270 nan 0.000 0.440 47 D N 0.667 121.081 120.400 0.024 0.000 2.117 47 D HA -0.124 4.510 4.640 -0.010 0.000 0.197 47 D C 1.722 178.062 176.300 0.066 0.000 0.987 47 D CA 1.562 55.580 54.000 0.029 0.000 0.829 47 D CB -0.241 40.534 40.800 -0.041 0.000 0.961 47 D HN 0.387 nan 8.370 nan 0.000 0.460 48 A N 0.876 123.718 122.820 0.037 0.000 1.929 48 A HA 0.078 4.392 4.320 -0.010 0.000 0.216 48 A C 2.278 179.877 177.584 0.025 0.000 1.176 48 A CA 1.761 53.814 52.037 0.026 0.000 0.628 48 A CB -0.566 18.439 19.000 0.009 0.000 0.816 48 A HN 0.220 nan 8.150 nan 0.000 0.444 49 A N -1.541 121.294 122.820 0.025 0.000 1.969 49 A HA 0.047 4.361 4.320 -0.010 0.000 0.218 49 A C 1.875 179.398 177.584 -0.102 0.000 1.169 49 A CA 1.321 53.331 52.037 -0.044 0.000 0.635 49 A CB -0.597 18.363 19.000 -0.066 0.000 0.810 49 A HN 0.466 nan 8.150 nan 0.000 0.445 50 F N -0.607 119.321 119.950 -0.037 0.000 2.335 50 F HA 0.034 4.560 4.527 -0.002 0.000 0.296 50 F C 2.406 178.185 175.800 -0.036 0.000 1.091 50 F CA 1.095 59.074 58.000 -0.036 0.000 1.399 50 F CB 0.116 39.090 39.000 -0.042 0.000 1.067 50 F HN 0.127 nan 8.300 nan 0.000 0.520 51 E N 1.272 121.553 120.200 0.134 0.000 2.051 51 E HA -0.226 4.118 4.350 -0.010 0.000 0.192 51 E C 1.781 178.395 176.600 0.024 0.000 0.991 51 E CA 1.314 57.751 56.400 0.063 0.000 0.799 51 E CB -0.275 29.445 29.700 0.034 0.000 0.748 51 E HN 0.483 nan 8.360 nan 0.000 0.449 52 K N 0.084 120.485 120.400 0.000 0.000 2.569 52 K HA 0.072 4.386 4.320 -0.010 0.000 0.193 52 K C 1.895 178.471 176.600 -0.041 0.000 1.026 52 K CA 0.265 56.538 56.287 -0.024 0.000 1.093 52 K CB -0.231 32.250 32.500 -0.032 0.000 0.849 52 K HN 0.061 nan 8.250 nan 0.000 0.509 53 I N 1.534 122.084 120.570 -0.033 0.000 2.493 53 I HA -0.249 3.915 4.170 -0.010 0.000 0.254 53 I C 1.094 177.187 176.117 -0.041 0.000 1.160 53 I CA 0.877 62.150 61.300 -0.046 0.000 1.445 53 I CB -0.019 37.971 38.000 -0.017 0.000 1.086 53 I HN 0.367 nan 8.210 nan 0.000 0.433 54 N N 0.194 118.879 118.700 -0.026 0.000 2.207 54 N HA -0.182 4.552 4.740 -0.010 0.000 0.182 54 N C 1.682 177.162 175.510 -0.049 0.000 1.020 54 N CA 0.872 53.900 53.050 -0.037 0.000 0.858 54 N CB -0.375 38.100 38.487 -0.021 0.000 0.991 54 N HN 0.402 nan 8.380 nan 0.000 0.427 55 E N 0.971 121.145 120.200 -0.042 0.000 2.153 55 E HA -0.066 4.278 4.350 -0.010 0.000 0.194 55 E C 1.366 177.931 176.600 -0.058 0.000 0.988 55 E CA 0.775 57.148 56.400 -0.045 0.000 0.811 55 E CB 0.074 29.753 29.700 -0.036 0.000 0.746 55 E HN 0.308 nan 8.360 nan 0.000 0.466 56 A N 0.741 123.521 122.820 -0.067 0.000 2.123 56 A HA -0.058 4.256 4.320 -0.010 0.000 0.214 56 A C 2.008 179.524 177.584 -0.113 0.000 1.152 56 A CA 0.789 52.778 52.037 -0.081 0.000 0.728 56 A CB -0.188 18.765 19.000 -0.077 0.000 0.814 56 A HN 0.125 nan 8.150 nan 0.000 0.464 57 R N 0.208 120.636 120.500 -0.119 0.000 2.140 57 R HA -0.054 4.280 4.340 -0.010 0.000 0.213 57 R C 2.286 178.496 176.300 -0.150 0.000 1.059 57 R CA 1.491 57.492 56.100 -0.165 0.000 1.000 57 R CB -0.296 29.915 30.300 -0.147 0.000 0.910 57 R HN 0.507 nan 8.270 nan 0.000 0.455 58 S N 0.887 116.526 115.700 -0.102 0.000 2.387 58 S HA -0.010 4.454 4.470 -0.010 0.000 0.230 58 S C -0.925 173.628 174.600 -0.078 0.000 1.035 58 S CA 0.783 58.935 58.200 -0.079 0.000 1.014 58 S CB -1.097 62.070 63.200 -0.056 0.000 0.836 58 S HN 0.279 nan 8.310 nan 0.000 0.466 59 P HA 0.081 nan 4.420 nan 0.000 0.231 59 P C 0.618 177.867 177.300 -0.084 0.000 1.158 59 P CA 0.768 63.825 63.100 -0.072 0.000 0.763 59 P CB -0.190 31.468 31.700 -0.070 0.000 0.805 60 L N -1.724 119.420 121.223 -0.132 0.000 2.791 60 L HA 0.241 4.575 4.340 -0.010 0.000 0.239 60 L C 0.418 177.232 176.870 -0.094 0.000 1.203 60 L CA -0.044 54.705 54.840 -0.152 0.000 1.002 60 L CB -0.068 41.778 42.059 -0.355 0.000 1.295 60 L HN -0.042 nan 8.230 nan 0.000 0.504 61 L N 0.039 121.224 121.223 -0.064 0.000 2.333 61 L HA 0.546 4.880 4.340 -0.010 0.000 0.263 61 L C -2.303 174.556 176.870 -0.018 0.000 1.014 61 L CA -2.046 52.772 54.840 -0.038 0.000 0.820 61 L CB 2.336 44.369 42.059 -0.044 0.000 1.352 61 L HN -0.184 nan 8.230 nan 0.000 0.421 62 P HA 0.023 nan 4.420 nan 0.000 0.264 62 P C -1.466 175.831 177.300 -0.004 0.000 1.193 62 P CA -0.069 63.032 63.100 0.001 0.000 0.763 62 P CB 0.574 32.278 31.700 0.005 0.000 0.810 63 Q N 2.360 122.159 119.800 -0.002 0.000 2.282 63 Q HA 0.597 4.931 4.340 -0.010 0.000 0.260 63 Q C -0.570 175.429 176.000 -0.001 0.000 0.964 63 Q CA -0.779 55.021 55.803 -0.005 0.000 0.880 63 Q CB 2.606 31.340 28.738 -0.006 0.000 1.286 63 Q HN 0.478 nan 8.270 nan 0.000 0.445 64 L N 0.682 121.904 121.223 -0.002 0.000 2.470 64 L HA 0.755 5.089 4.340 -0.010 0.000 0.268 64 L C -0.778 176.092 176.870 -0.000 0.000 0.964 64 L CA -0.344 54.496 54.840 0.000 0.000 0.839 64 L CB 2.097 44.157 42.059 0.001 0.000 1.276 64 L HN 0.746 nan 8.230 nan 0.000 0.403 65 G N 3.398 112.198 108.800 0.001 0.000 2.642 65 G HA2 0.619 4.573 3.960 -0.010 0.000 0.293 65 G HA3 0.619 4.573 3.960 -0.010 0.000 0.293 65 G C -2.245 172.656 174.900 0.002 0.000 1.341 65 G CA -0.639 44.462 45.100 0.001 0.000 0.916 65 G HN 0.555 nan 8.290 nan 0.000 0.474 66 L N 1.346 122.570 121.223 0.003 0.000 2.316 66 L HA 0.751 5.085 4.340 -0.010 0.000 0.280 66 L C 0.363 177.236 176.870 0.005 0.000 1.006 66 L CA -0.518 54.324 54.840 0.004 0.000 0.836 66 L CB 1.232 43.293 42.059 0.003 0.000 1.221 66 L HN 0.685 nan 8.230 nan 0.000 0.418 67 G N 3.473 112.277 108.800 0.007 0.000 2.400 67 G HA2 0.787 4.742 3.960 -0.010 0.000 0.333 67 G HA3 0.787 4.742 3.960 -0.010 0.000 0.333 67 G C -1.396 173.512 174.900 0.013 0.000 1.143 67 G CA -0.294 44.812 45.100 0.009 0.000 0.914 67 G HN 0.862 nan 8.290 nan 0.000 0.480 68 A N 2.081 124.912 122.820 0.017 0.000 2.466 68 A HA 0.644 4.958 4.320 -0.010 0.000 0.284 68 A C -1.556 176.051 177.584 0.039 0.000 1.049 68 A CA -0.729 51.323 52.037 0.026 0.000 0.760 68 A CB 1.569 20.582 19.000 0.022 0.000 1.274 68 A HN 0.510 nan 8.150 nan 0.000 0.412 69 D N 0.589 121.017 120.400 0.048 0.000 2.340 69 D HA 0.579 5.213 4.640 -0.010 0.000 0.240 69 D C -1.258 175.115 176.300 0.123 0.000 1.001 69 D CA 0.154 54.190 54.000 0.060 0.000 0.888 69 D CB 1.890 42.703 40.800 0.022 0.000 1.310 69 D HN 0.475 nan 8.370 nan 0.000 0.474 70 Y N 0.198 120.495 120.300 -0.004 0.000 2.346 70 Y HA 0.479 5.023 4.550 -0.010 0.000 0.332 70 Y C -1.303 174.604 175.900 0.011 0.000 0.985 70 Y CA -0.419 57.680 58.100 -0.002 0.000 1.112 70 Y CB 1.499 39.957 38.460 -0.004 0.000 1.170 70 Y HN 0.221 nan 8.280 nan 0.000 0.447 71 T N 6.004 120.161 114.554 -0.661 0.000 2.885 71 T HA 0.328 4.672 4.350 -0.010 0.000 0.285 71 T C -1.986 172.322 174.700 -0.655 0.000 1.019 71 T CA -0.541 61.212 62.100 -0.578 0.000 1.010 71 T CB 1.432 70.143 68.868 -0.262 0.000 1.022 71 T HN 0.510 nan 8.240 nan 0.000 0.466 72 Y N 1.774 121.755 120.300 -0.533 0.000 2.426 72 Y HA 0.528 5.072 4.550 -0.010 0.000 0.325 72 Y C -0.638 175.160 175.900 -0.169 0.000 0.989 72 Y CA -0.939 56.978 58.100 -0.304 0.000 1.284 72 Y CB 0.696 39.039 38.460 -0.195 0.000 1.104 72 Y HN 0.626 nan 8.280 nan 0.000 0.481 73 S N 4.339 119.724 115.700 -0.526 0.000 2.554 73 S HA 0.265 4.729 4.470 -0.010 0.000 0.278 73 S C 0.308 174.521 174.600 -0.645 0.000 1.242 73 S CA -0.592 57.318 58.200 -0.483 0.000 1.051 73 S CB 1.346 64.379 63.200 -0.278 0.000 0.986 73 S HN 0.845 nan 8.310 nan 0.000 0.502 74 N N 0.298 118.725 118.700 -0.454 0.000 1.938 74 N HA 0.150 4.884 4.740 -0.010 0.000 0.225 74 N C 0.439 175.895 175.510 -0.091 0.000 1.400 74 N CA 0.175 53.026 53.050 -0.332 0.000 0.772 74 N CB 0.210 38.437 38.487 -0.432 0.000 1.124 74 N HN 0.682 nan 8.380 nan 0.000 0.513 75 G N -0.380 108.356 108.800 -0.106 0.000 2.634 75 G HA2 0.327 4.281 3.960 -0.010 0.000 0.255 75 G HA3 0.327 4.281 3.960 -0.010 0.000 0.255 75 G C -1.246 173.646 174.900 -0.014 0.000 1.205 75 G CA 0.115 45.201 45.100 -0.023 0.000 0.884 75 G HN 0.179 nan 8.290 nan 0.000 0.549 76 Y N -0.947 119.341 120.300 -0.020 0.000 2.570 76 Y HA 0.451 4.995 4.550 -0.010 0.000 0.345 76 Y C 0.889 176.787 175.900 -0.003 0.000 1.014 76 Y CA -0.965 57.132 58.100 -0.006 0.000 1.063 76 Y CB 1.757 40.218 38.460 0.002 0.000 1.272 76 Y HN 0.735 nan 8.280 nan 0.000 0.477 77 R N 1.033 121.644 120.500 0.185 0.000 2.694 77 R HA 0.114 4.448 4.340 -0.010 0.000 0.268 77 R C -0.619 175.743 176.300 0.103 0.000 1.061 77 R CA -0.035 56.121 56.100 0.094 0.000 1.133 77 R CB 0.523 30.877 30.300 0.091 0.000 1.020 77 R HN 0.707 nan 8.270 nan 0.000 0.475 78 D N 0.676 121.107 120.400 0.053 0.000 2.503 78 D HA 0.220 4.854 4.640 -0.010 0.000 0.218 78 D C 0.113 176.430 176.300 0.029 0.000 1.183 78 D CA 0.465 54.490 54.000 0.042 0.000 0.827 78 D CB 1.099 41.917 40.800 0.029 0.000 1.034 78 D HN 0.719 nan 8.370 nan 0.000 0.510 79 A N -0.369 122.466 122.820 0.024 0.000 1.784 79 A HA 0.117 4.431 4.320 -0.010 0.000 0.185 79 A C 1.307 178.892 177.584 0.001 0.000 1.964 79 A CA -0.109 51.935 52.037 0.012 0.000 1.540 79 A CB 0.460 19.462 19.000 0.003 0.000 1.588 79 A HN -0.005 nan 8.150 nan 0.000 0.320 80 N N -0.344 118.345 118.700 -0.019 0.000 2.514 80 N HA 0.466 5.200 4.740 -0.010 0.000 0.232 80 N C 1.089 176.529 175.510 -0.117 0.000 1.107 80 N CA 1.708 54.725 53.050 -0.055 0.000 1.174 80 N CB -0.234 38.214 38.487 -0.065 0.000 1.545 80 N HN 1.132 nan 8.380 nan 0.000 0.591 81 G N 0.708 109.373 108.800 -0.225 0.000 2.681 81 G HA2 -0.027 3.927 3.960 -0.010 0.000 0.220 81 G HA3 -0.027 3.927 3.960 -0.010 0.000 0.220 81 G C -0.845 173.645 174.900 -0.684 0.000 1.353 81 G CA -0.160 44.567 45.100 -0.623 0.000 0.872 81 G HN 0.567 nan 8.290 nan 0.000 0.557 82 I N -1.085 118.725 120.570 -1.268 0.000 8.129 82 I HA -0.128 4.037 4.170 -0.010 0.000 0.310 82 I C -0.632 175.366 176.117 -0.199 0.000 1.855 82 I CA -0.336 60.699 61.300 -0.442 0.000 2.035 82 I CB -1.071 36.868 38.000 -0.101 0.000 3.774 82 I HN 1.028 nan 8.210 nan 0.000 0.173 83 N N 3.967 122.694 118.700 0.044 0.000 2.443 83 N HA 0.779 5.514 4.740 -0.010 0.000 0.295 83 N C -0.426 175.082 175.510 -0.002 0.000 1.076 83 N CA -0.546 52.513 53.050 0.015 0.000 0.919 83 N CB 2.061 40.621 38.487 0.121 0.000 1.176 83 N HN 0.717 nan 8.380 nan 0.000 0.487 84 S N 0.308 115.913 115.700 -0.159 0.000 2.618 84 S HA 0.546 5.011 4.470 -0.010 0.000 0.277 84 S C -1.049 173.466 174.600 -0.141 0.000 1.138 84 S CA -1.017 56.982 58.200 -0.334 0.000 0.844 84 S CB 1.953 64.804 63.200 -0.582 0.000 1.127 84 S HN 0.488 nan 8.310 nan 0.000 0.474 85 N N 0.492 119.094 118.700 -0.165 0.000 2.609 85 N HA 0.500 5.234 4.740 -0.010 0.000 0.268 85 N C -1.350 174.160 175.510 -0.001 0.000 1.106 85 N CA -0.256 52.819 53.050 0.042 0.000 0.823 85 N CB 1.804 40.383 38.487 0.154 0.000 1.263 85 N HN 0.883 nan 8.380 nan 0.000 0.533 86 A N 1.430 124.238 122.820 -0.021 0.000 2.317 86 A HA 0.724 5.038 4.320 -0.010 0.000 0.327 86 A C 0.288 177.941 177.584 0.116 0.000 1.178 86 A CA -0.414 51.619 52.037 -0.006 0.000 0.817 86 A CB 0.966 19.923 19.000 -0.071 0.000 1.189 86 A HN 0.460 nan 8.150 nan 0.000 0.489 87 T N -0.819 113.801 114.554 0.110 0.000 2.930 87 T HA 0.867 5.211 4.350 -0.010 0.000 0.290 87 T C -0.250 174.485 174.700 0.058 0.000 1.052 87 T CA -0.019 62.158 62.100 0.129 0.000 1.017 87 T CB 1.521 70.456 68.868 0.113 0.000 1.137 87 T HN 1.777 nan 8.240 nan 0.000 0.511 88 S N -0.328 115.404 115.700 0.053 0.000 2.565 88 S HA 0.880 5.345 4.470 -0.010 0.000 0.269 88 S C -1.148 173.468 174.600 0.027 0.000 1.153 88 S CA -0.710 57.508 58.200 0.030 0.000 0.835 88 S CB 1.281 64.494 63.200 0.021 0.000 1.122 88 S HN 1.918 nan 8.310 nan 0.000 0.462 89 A N 0.778 123.609 122.820 0.018 0.000 2.589 89 A HA 0.954 5.268 4.320 -0.010 0.000 0.296 89 A C -0.537 177.054 177.584 0.011 0.000 1.062 89 A CA -0.210 51.836 52.037 0.014 0.000 0.686 89 A CB 1.237 20.244 19.000 0.012 0.000 1.282 89 A HN 2.338 nan 8.150 nan 0.000 0.404 90 S N 0.610 116.316 115.700 0.010 0.000 2.565 90 S HA 0.698 5.163 4.470 -0.010 0.000 0.269 90 S C -1.439 173.165 174.600 0.007 0.000 1.153 90 S CA -0.741 57.464 58.200 0.008 0.000 0.835 90 S CB 0.885 64.091 63.200 0.009 0.000 1.122 90 S HN 0.890 nan 8.310 nan 0.000 0.462 91 L N 2.409 123.636 121.223 0.007 0.000 2.262 91 L HA 0.475 4.809 4.340 -0.010 0.000 0.288 91 L C 0.005 176.879 176.870 0.007 0.000 1.035 91 L CA -0.519 54.325 54.840 0.006 0.000 0.820 91 L CB 1.377 43.440 42.059 0.006 0.000 1.204 91 L HN 0.660 nan 8.230 nan 0.000 0.424 92 Q N 3.680 123.484 119.800 0.007 0.000 2.230 92 Q HA 0.576 4.910 4.340 -0.010 0.000 0.253 92 Q C -0.888 175.116 176.000 0.007 0.000 0.919 92 Q CA -0.518 55.289 55.803 0.008 0.000 0.908 92 Q CB 3.236 31.978 28.738 0.007 0.000 1.245 92 Q HN 0.524 nan 8.270 nan 0.000 0.437 93 L N 0.815 122.043 121.223 0.010 0.000 2.388 93 L HA 0.653 4.987 4.340 -0.010 0.000 0.264 93 L C -1.021 175.857 176.870 0.013 0.000 0.998 93 L CA -0.290 54.556 54.840 0.010 0.000 0.817 93 L CB 2.455 44.521 42.059 0.011 0.000 1.338 93 L HN 0.698 nan 8.230 nan 0.000 0.414 94 T N 0.679 115.240 114.554 0.012 0.000 2.893 94 T HA 0.685 5.029 4.350 -0.010 0.000 0.293 94 T C -0.964 173.747 174.700 0.018 0.000 1.027 94 T CA -0.670 61.440 62.100 0.015 0.000 0.988 94 T CB 1.798 70.672 68.868 0.011 0.000 1.043 94 T HN 0.604 nan 8.240 nan 0.000 0.461 95 Q N 1.156 120.973 119.800 0.028 0.000 2.263 95 Q HA 0.546 4.880 4.340 -0.010 0.000 0.266 95 Q C -0.862 175.168 176.000 0.051 0.000 1.002 95 Q CA -0.312 55.512 55.803 0.035 0.000 0.790 95 Q CB 2.287 31.049 28.738 0.039 0.000 1.272 95 Q HN 0.830 nan 8.270 nan 0.000 0.435 96 S N 4.484 120.216 115.700 0.054 0.000 2.564 96 S HA 0.356 4.821 4.470 -0.010 0.000 0.278 96 S C 0.556 175.230 174.600 0.123 0.000 1.333 96 S CA -0.351 57.895 58.200 0.077 0.000 1.048 96 S CB 0.246 63.485 63.200 0.065 0.000 0.900 96 S HN 0.700 nan 8.310 nan 0.000 0.505 97 I N 2.579 123.237 120.570 0.146 0.000 3.345 97 I HA 0.321 4.486 4.170 -0.010 0.000 0.258 97 I C 0.075 176.355 176.117 0.273 0.000 1.134 97 I CA 0.650 62.063 61.300 0.188 0.000 1.457 97 I CB -0.348 37.748 38.000 0.160 0.000 1.425 97 I HN 0.674 nan 8.210 nan 0.000 0.461 98 F N 1.863 121.857 119.950 0.073 0.000 2.691 98 F HA 0.343 4.864 4.527 -0.010 0.000 0.371 98 F C 0.568 176.390 175.800 0.036 0.000 1.159 98 F CA -0.570 57.453 58.000 0.037 0.000 1.174 98 F CB 0.359 39.366 39.000 0.011 0.000 1.419 98 F HN -0.104 nan 8.300 nan 0.000 0.514 99 D N 3.057 123.297 120.400 -0.266 0.000 2.414 99 D HA 0.024 4.659 4.640 -0.010 0.000 0.237 99 D C 1.701 177.745 176.300 -0.426 0.000 0.975 99 D CA 1.080 54.922 54.000 -0.262 0.000 0.917 99 D CB 0.472 41.240 40.800 -0.052 0.000 1.061 99 D HN 0.556 nan 8.370 nan 0.000 0.480 100 M N -0.351 119.050 119.600 -0.332 0.000 2.839 100 M HA -0.300 4.174 4.480 -0.010 0.000 0.159 100 M C 1.848 178.122 176.300 -0.044 0.000 0.680 100 M CA 1.897 57.045 55.300 -0.254 0.000 0.608 100 M CB -2.210 30.121 32.600 -0.448 0.000 2.220 100 M HN 0.211 nan 8.290 nan 0.000 0.264 101 S N -0.137 115.516 115.700 -0.080 0.000 2.383 101 S HA -0.067 4.397 4.470 -0.010 0.000 0.227 101 S C 1.658 176.256 174.600 -0.004 0.000 1.026 101 S CA 1.534 59.711 58.200 -0.039 0.000 0.981 101 S CB -0.262 62.900 63.200 -0.063 0.000 0.818 101 S HN 0.676 nan 8.310 nan 0.000 0.472 102 K N -0.121 120.283 120.400 0.008 0.000 2.097 102 K HA -0.050 4.264 4.320 -0.010 0.000 0.205 102 K C 1.800 178.400 176.600 -0.001 0.000 1.050 102 K CA 1.475 57.759 56.287 -0.005 0.000 0.938 102 K CB -0.268 32.225 32.500 -0.011 0.000 0.718 102 K HN 0.486 nan 8.250 nan 0.000 0.442 103 W N 1.201 122.450 121.300 -0.084 0.000 2.381 103 W HA -0.127 4.528 4.660 -0.008 0.000 0.301 103 W C 2.516 179.002 176.519 -0.055 0.000 1.205 103 W CA 1.069 58.376 57.345 -0.063 0.000 1.285 103 W CB -0.180 29.239 29.460 -0.069 0.000 1.133 103 W HN 0.029 nan 8.180 nan 0.000 0.521 104 R N 0.964 121.562 120.500 0.164 0.000 2.083 104 R HA -0.142 4.192 4.340 -0.010 0.000 0.237 104 R C 2.136 178.453 176.300 0.029 0.000 1.137 104 R CA 2.202 58.349 56.100 0.077 0.000 0.951 104 R CB -1.184 29.135 30.300 0.032 0.000 0.851 104 R HN 0.036 nan 8.270 nan 0.000 0.434 105 A N 0.352 123.173 122.820 0.003 0.000 2.024 105 A HA -0.117 4.197 4.320 -0.010 0.000 0.220 105 A C 1.979 179.537 177.584 -0.042 0.000 1.164 105 A CA 1.467 53.489 52.037 -0.025 0.000 0.643 105 A CB -0.606 18.372 19.000 -0.037 0.000 0.806 105 A HN 0.389 nan 8.150 nan 0.000 0.451 106 L N 0.313 121.504 121.223 -0.054 0.000 2.068 106 L HA -0.069 4.265 4.340 -0.010 0.000 0.204 106 L C 2.721 179.562 176.870 -0.047 0.000 1.076 106 L CA 2.942 57.731 54.840 -0.085 0.000 0.753 106 L CB -1.279 40.676 42.059 -0.175 0.000 0.910 106 L HN 0.539 nan 8.230 nan 0.000 0.439 107 T N -2.317 112.238 114.554 0.000 0.000 2.708 107 T HA -0.223 4.121 4.350 -0.010 0.000 0.266 107 T C 2.087 176.782 174.700 -0.008 0.000 1.037 107 T CA 1.788 63.899 62.100 0.018 0.000 1.146 107 T CB -1.002 67.902 68.868 0.060 0.000 0.865 107 T HN 0.362 nan 8.240 nan 0.000 0.435 108 L N 0.806 122.023 121.223 -0.011 0.000 2.079 108 L HA -0.114 4.221 4.340 -0.010 0.000 0.210 108 L C 3.135 179.977 176.870 -0.047 0.000 1.081 108 L CA 1.536 56.363 54.840 -0.021 0.000 0.752 108 L CB -0.617 41.432 42.059 -0.017 0.000 0.896 108 L HN 0.316 nan 8.230 nan 0.000 0.433 109 Q N 0.323 120.086 119.800 -0.060 0.000 2.230 109 Q HA -0.178 4.156 4.340 -0.010 0.000 0.202 109 Q C 1.892 177.814 176.000 -0.131 0.000 0.963 109 Q CA 1.462 57.211 55.803 -0.090 0.000 0.866 109 Q CB 0.063 28.750 28.738 -0.086 0.000 0.931 109 Q HN 0.473 nan 8.270 nan 0.000 0.452 110 E N -0.258 119.880 120.200 -0.103 0.000 2.072 110 E HA -0.122 4.222 4.350 -0.010 0.000 0.190 110 E C 1.856 178.387 176.600 -0.115 0.000 0.982 110 E CA 1.019 57.350 56.400 -0.115 0.000 0.803 110 E CB 0.045 29.715 29.700 -0.049 0.000 0.755 110 E HN 0.286 nan 8.360 nan 0.000 0.453 111 K N 0.513 120.872 120.400 -0.068 0.000 2.063 111 K HA -0.113 4.201 4.320 -0.010 0.000 0.208 111 K C 2.076 178.635 176.600 -0.068 0.000 1.048 111 K CA 1.244 57.504 56.287 -0.046 0.000 0.928 111 K CB -0.098 32.392 32.500 -0.017 0.000 0.713 111 K HN 0.044 nan 8.250 nan 0.000 0.442 112 A N 0.853 123.618 122.820 -0.091 0.000 2.119 112 A HA 0.103 4.418 4.320 -0.010 0.000 0.216 112 A C 2.131 179.623 177.584 -0.153 0.000 1.152 112 A CA 1.218 53.199 52.037 -0.093 0.000 0.708 112 A CB -0.237 18.716 19.000 -0.077 0.000 0.805 112 A HN 0.302 nan 8.150 nan 0.000 0.460 113 A N -0.688 121.967 122.820 -0.275 0.000 2.030 113 A HA 0.339 4.653 4.320 -0.010 0.000 0.215 113 A C 2.201 179.548 177.584 -0.394 0.000 1.164 113 A CA 1.248 52.980 52.037 -0.507 0.000 0.697 113 A CB -0.843 17.536 19.000 -1.035 0.000 0.827 113 A HN 0.559 nan 8.150 nan 0.000 0.457 114 G N 0.444 109.118 108.800 -0.211 0.000 2.402 114 G HA2 -0.166 3.789 3.960 -0.010 0.000 0.216 114 G HA3 -0.166 3.789 3.960 -0.010 0.000 0.216 114 G C 1.485 176.395 174.900 0.017 0.000 1.162 114 G CA 1.129 46.213 45.100 -0.028 0.000 0.777 114 G HN 0.438 nan 8.290 nan 0.000 0.539 115 I N 0.226 120.790 120.570 -0.011 0.000 2.226 115 I HA -0.196 3.968 4.170 -0.010 0.000 0.245 115 I C 2.785 178.920 176.117 0.031 0.000 1.100 115 I CA 1.417 62.725 61.300 0.013 0.000 1.374 115 I CB -0.087 37.913 38.000 0.001 0.000 1.057 115 I HN 0.193 nan 8.210 nan 0.000 0.413 116 Q N 0.722 120.528 119.800 0.010 0.000 2.297 116 Q HA -0.232 4.102 4.340 -0.010 0.000 0.204 116 Q C 1.546 177.621 176.000 0.125 0.000 0.962 116 Q CA 1.585 57.415 55.803 0.045 0.000 0.879 116 Q CB -0.116 28.623 28.738 0.001 0.000 0.947 116 Q HN 0.464 nan 8.270 nan 0.000 0.462 117 D N -1.745 118.748 120.400 0.155 0.000 2.194 117 D HA -0.076 4.558 4.640 -0.010 0.000 0.204 117 D C 1.493 177.922 176.300 0.216 0.000 0.964 117 D CA 0.839 54.991 54.000 0.253 0.000 0.846 117 D CB 0.254 41.260 40.800 0.342 0.000 0.962 117 D HN 0.164 nan 8.370 nan 0.000 0.490 118 V N 0.532 120.531 119.914 0.142 0.000 2.358 118 V HA -0.210 3.904 4.120 -0.010 0.000 0.246 118 V C 2.731 178.882 176.094 0.096 0.000 1.047 118 V CA 2.089 64.452 62.300 0.104 0.000 1.035 118 V CB -1.161 30.704 31.823 0.070 0.000 0.658 118 V HN 0.466 nan 8.190 nan 0.000 0.452 119 T N -1.592 113.022 114.554 0.100 0.000 2.759 119 T HA -0.334 4.010 4.350 -0.010 0.000 0.269 119 T C 1.851 176.622 174.700 0.118 0.000 1.042 119 T CA 2.147 64.300 62.100 0.089 0.000 1.140 119 T CB -0.662 68.256 68.868 0.084 0.000 0.864 119 T HN 0.507 nan 8.240 nan 0.000 0.455 120 Y N 1.932 122.259 120.300 0.045 0.000 2.200 120 Y HA -0.005 4.539 4.550 -0.009 0.000 0.290 120 Y C 2.722 178.645 175.900 0.039 0.000 1.137 120 Y CA 1.407 59.533 58.100 0.044 0.000 1.163 120 Y CB -0.504 37.990 38.460 0.056 0.000 0.988 120 Y HN 0.235 nan 8.280 nan 0.000 0.518 121 Q N -1.014 118.796 119.800 0.016 0.000 2.226 121 Q HA -0.160 4.174 4.340 -0.010 0.000 0.204 121 Q C 2.065 178.015 176.000 -0.083 0.000 0.975 121 Q CA 1.905 57.672 55.803 -0.061 0.000 0.866 121 Q CB -0.095 28.666 28.738 0.038 0.000 0.915 121 Q HN 0.426 nan 8.270 nan 0.000 0.440 122 T N 0.718 115.247 114.554 -0.042 0.000 2.812 122 T HA -0.098 4.247 4.350 -0.010 0.000 0.264 122 T C 0.963 175.625 174.700 -0.064 0.000 1.042 122 T CA 1.220 63.299 62.100 -0.035 0.000 1.140 122 T CB -0.131 68.736 68.868 -0.002 0.000 0.870 122 T HN 0.234 nan 8.240 nan 0.000 0.445 123 D N 1.152 121.500 120.400 -0.087 0.000 2.310 123 D HA -0.025 4.609 4.640 -0.010 0.000 0.212 123 D C 2.192 178.397 176.300 -0.158 0.000 0.965 123 D CA 0.677 54.620 54.000 -0.093 0.000 0.879 123 D CB -0.143 40.628 40.800 -0.049 0.000 0.921 123 D HN 0.465 nan 8.370 nan 0.000 0.510 124 Q N 0.006 119.649 119.800 -0.262 0.000 2.049 124 Q HA -0.152 4.182 4.340 -0.010 0.000 0.198 124 Q C 2.077 178.017 176.000 -0.099 0.000 0.971 124 Q CA 0.908 56.575 55.803 -0.226 0.000 0.833 124 Q CB 0.005 28.563 28.738 -0.300 0.000 0.896 124 Q HN 0.116 nan 8.270 nan 0.000 0.434 125 Q N 0.148 119.895 119.800 -0.089 0.000 2.045 125 Q HA -0.181 4.153 4.340 -0.010 0.000 0.206 125 Q C 1.902 177.876 176.000 -0.044 0.000 0.991 125 Q CA 2.505 58.273 55.803 -0.057 0.000 0.851 125 Q CB -0.264 28.446 28.738 -0.046 0.000 0.911 125 Q HN 0.351 nan 8.270 nan 0.000 0.418 126 T N 0.873 115.405 114.554 -0.037 0.000 2.746 126 T HA -0.171 4.174 4.350 -0.010 0.000 0.267 126 T C 1.632 176.328 174.700 -0.007 0.000 1.039 126 T CA 1.196 63.284 62.100 -0.020 0.000 1.142 126 T CB -0.483 68.376 68.868 -0.014 0.000 0.866 126 T HN 0.272 nan 8.240 nan 0.000 0.444 127 L N 1.204 122.428 121.223 0.002 0.000 2.081 127 L HA -0.061 4.273 4.340 -0.010 0.000 0.212 127 L C 2.097 179.010 176.870 0.072 0.000 1.080 127 L CA 1.417 56.285 54.840 0.047 0.000 0.754 127 L CB -0.772 41.327 42.059 0.067 0.000 0.893 127 L HN 0.287 nan 8.230 nan 0.000 0.433 128 I N -1.142 119.435 120.570 0.012 0.000 2.069 128 I HA -0.392 3.772 4.170 -0.010 0.000 0.237 128 I C 2.475 178.538 176.117 -0.091 0.000 1.053 128 I CA 1.849 63.069 61.300 -0.135 0.000 1.311 128 I CB -0.572 37.308 38.000 -0.201 0.000 1.030 128 I HN 0.256 nan 8.210 nan 0.000 0.398 129 L N 0.472 121.666 121.223 -0.048 0.000 1.978 129 L HA -0.307 4.027 4.340 -0.010 0.000 0.218 129 L C 2.275 179.150 176.870 0.009 0.000 1.075 129 L CA 2.295 57.127 54.840 -0.014 0.000 0.767 129 L CB -0.949 41.108 42.059 -0.003 0.000 0.890 129 L HN 0.402 nan 8.230 nan 0.000 0.434 130 N N -1.355 117.352 118.700 0.012 0.000 2.205 130 N HA -0.160 4.575 4.740 -0.010 0.000 0.186 130 N C 1.572 177.094 175.510 0.020 0.000 1.015 130 N CA 1.620 54.682 53.050 0.020 0.000 0.862 130 N CB -0.102 38.395 38.487 0.018 0.000 0.986 130 N HN 0.384 nan 8.380 nan 0.000 0.429 131 T N 0.552 115.117 114.554 0.018 0.000 2.770 131 T HA -0.011 4.333 4.350 -0.010 0.000 0.263 131 T C 2.176 176.849 174.700 -0.045 0.000 1.039 131 T CA 1.028 63.132 62.100 0.008 0.000 1.142 131 T CB -0.326 68.588 68.868 0.077 0.000 0.868 131 T HN 0.293 nan 8.240 nan 0.000 0.435 132 A N 1.922 124.698 122.820 -0.073 0.000 1.858 132 A HA -0.146 4.168 4.320 -0.010 0.000 0.216 132 A C 2.581 180.202 177.584 0.062 0.000 1.190 132 A CA 2.223 54.205 52.037 -0.091 0.000 0.617 132 A CB -1.473 17.526 19.000 -0.002 0.000 0.827 132 A HN 0.479 nan 8.150 nan 0.000 0.443 133 T N 0.591 115.220 114.554 0.126 0.000 2.684 133 T HA -0.098 4.247 4.350 -0.010 0.000 0.267 133 T C 2.183 176.952 174.700 0.115 0.000 1.036 133 T CA 1.895 64.098 62.100 0.170 0.000 1.148 133 T CB -0.592 68.338 68.868 0.104 0.000 0.863 133 T HN 0.625 nan 8.240 nan 0.000 0.436 134 A N 0.298 123.150 122.820 0.054 0.000 1.972 134 A HA -0.075 4.239 4.320 -0.010 0.000 0.219 134 A C 2.072 179.657 177.584 0.001 0.000 1.169 134 A CA 1.449 53.498 52.037 0.020 0.000 0.635 134 A CB -0.923 18.080 19.000 0.005 0.000 0.810 134 A HN 0.610 nan 8.150 nan 0.000 0.446 135 Y N -0.455 119.736 120.300 -0.180 0.000 2.109 135 Y HA -0.187 4.358 4.550 -0.009 0.000 0.285 135 Y C 1.870 177.630 175.900 -0.234 0.000 1.131 135 Y CA 2.043 59.962 58.100 -0.302 0.000 1.121 135 Y CB -0.498 37.655 38.460 -0.511 0.000 0.987 135 Y HN 0.262 nan 8.280 nan 0.000 0.495 136 F N 0.553 120.538 119.950 0.058 0.000 2.234 136 F HA -0.131 4.390 4.527 -0.009 0.000 0.299 136 F C 2.100 177.785 175.800 -0.192 0.000 1.087 136 F CA 1.249 59.236 58.000 -0.022 0.000 1.340 136 F CB -1.228 37.906 39.000 0.223 0.000 1.031 136 F HN 0.104 nan 8.300 nan 0.000 0.500 137 N N 0.489 119.212 118.700 0.039 0.000 2.037 137 N HA -0.179 4.556 4.740 -0.010 0.000 0.196 137 N C 2.004 177.444 175.510 -0.118 0.000 1.034 137 N CA 1.708 54.727 53.050 -0.052 0.000 0.861 137 N CB -0.668 37.806 38.487 -0.023 0.000 1.039 137 N HN 0.069 nan 8.380 nan 0.000 0.427 138 V N 0.377 120.211 119.914 -0.133 0.000 2.358 138 V HA -0.133 3.982 4.120 -0.010 0.000 0.246 138 V C 2.216 178.195 176.094 -0.192 0.000 1.047 138 V CA 0.955 63.163 62.300 -0.153 0.000 1.035 138 V CB -0.577 31.151 31.823 -0.159 0.000 0.658 138 V HN 0.230 nan 8.190 nan 0.000 0.452 139 L N 2.213 123.293 121.223 -0.239 0.000 1.989 139 L HA -0.173 4.162 4.340 -0.010 0.000 0.211 139 L C 2.320 179.062 176.870 -0.214 0.000 1.071 139 L CA 2.482 57.215 54.840 -0.179 0.000 0.749 139 L CB -0.960 41.097 42.059 -0.003 0.000 0.890 139 L HN 0.653 nan 8.230 nan 0.000 0.431 140 N N -0.456 117.956 118.700 -0.480 0.000 2.412 140 N HA -0.006 4.728 4.740 -0.010 0.000 0.184 140 N C 1.465 176.785 175.510 -0.317 0.000 1.101 140 N CA 0.917 53.626 53.050 -0.569 0.000 0.881 140 N CB -0.199 37.620 38.487 -1.114 0.000 0.969 140 N HN 0.350 nan 8.380 nan 0.000 0.459 141 A N 1.253 123.931 122.820 -0.236 0.000 1.930 141 A HA 0.061 4.376 4.320 -0.010 0.000 0.217 141 A C 2.265 179.763 177.584 -0.143 0.000 1.175 141 A CA 0.678 52.619 52.037 -0.160 0.000 0.627 141 A CB -0.509 18.417 19.000 -0.123 0.000 0.815 141 A HN 0.275 nan 8.150 nan 0.000 0.443 142 I N 0.085 120.568 120.570 -0.145 0.000 2.113 142 I HA -0.267 3.898 4.170 -0.010 0.000 0.238 142 I C 1.981 177.992 176.117 -0.176 0.000 1.070 142 I CA 1.655 62.879 61.300 -0.127 0.000 1.332 142 I CB -0.639 37.300 38.000 -0.102 0.000 1.044 142 I HN 0.185 nan 8.210 nan 0.000 0.402 143 D N 0.628 120.888 120.400 -0.233 0.000 2.170 143 D HA -0.174 4.460 4.640 -0.010 0.000 0.193 143 D C 2.275 178.307 176.300 -0.447 0.000 1.004 143 D CA 1.310 55.064 54.000 -0.409 0.000 0.860 143 D CB -0.438 40.147 40.800 -0.359 0.000 0.931 143 D HN 0.153 nan 8.370 nan 0.000 0.448 144 V N 0.478 120.250 119.914 -0.238 0.000 2.244 144 V HA -0.193 3.921 4.120 -0.010 0.000 0.244 144 V C 2.407 178.454 176.094 -0.078 0.000 1.042 144 V CA 1.246 63.476 62.300 -0.117 0.000 1.006 144 V CB -0.566 31.203 31.823 -0.089 0.000 0.641 144 V HN 0.163 nan 8.190 nan 0.000 0.446 145 L N 0.217 121.385 121.223 -0.092 0.000 2.079 145 L HA -0.152 4.182 4.340 -0.010 0.000 0.210 145 L C 2.568 179.402 176.870 -0.059 0.000 1.081 145 L CA 2.412 57.209 54.840 -0.071 0.000 0.752 145 L CB -0.870 41.147 42.059 -0.069 0.000 0.896 145 L HN 0.333 nan 8.230 nan 0.000 0.433 146 S N -1.709 113.940 115.700 -0.085 0.000 2.368 146 S HA -0.200 4.265 4.470 -0.010 0.000 0.225 146 S C 1.976 176.628 174.600 0.086 0.000 1.030 146 S CA 1.253 59.425 58.200 -0.048 0.000 0.999 146 S CB -0.409 62.711 63.200 -0.133 0.000 0.844 146 S HN 0.598 nan 8.310 nan 0.000 0.459 147 Y N 1.956 122.239 120.300 -0.028 0.000 2.337 147 Y HA 0.086 4.630 4.550 -0.009 0.000 0.293 147 Y C 2.881 178.653 175.900 -0.213 0.000 1.123 147 Y CA 0.945 59.022 58.100 -0.037 0.000 1.201 147 Y CB -1.411 37.082 38.460 0.056 0.000 1.011 147 Y HN 0.297 nan 8.280 nan 0.000 0.545 148 T N -0.463 114.084 114.554 -0.012 0.000 2.867 148 T HA -0.173 4.171 4.350 -0.010 0.000 0.268 148 T C 1.784 176.394 174.700 -0.151 0.000 1.057 148 T CA 1.252 63.280 62.100 -0.119 0.000 1.136 148 T CB -0.149 68.668 68.868 -0.086 0.000 0.874 148 T HN 0.386 nan 8.240 nan 0.000 0.466 149 Q N 0.579 120.324 119.800 -0.092 0.000 2.123 149 Q HA 0.090 4.425 4.340 -0.010 0.000 0.199 149 Q C 2.751 178.699 176.000 -0.087 0.000 0.966 149 Q CA 1.179 56.934 55.803 -0.079 0.000 0.845 149 Q CB -0.273 28.443 28.738 -0.038 0.000 0.907 149 Q HN 0.577 nan 8.270 nan 0.000 0.439 150 A N 0.773 123.542 122.820 -0.085 0.000 1.969 150 A HA -0.232 4.082 4.320 -0.010 0.000 0.218 150 A C 1.955 179.312 177.584 -0.379 0.000 1.169 150 A CA 1.343 53.336 52.037 -0.074 0.000 0.635 150 A CB -0.372 18.724 19.000 0.160 0.000 0.810 150 A HN 0.342 nan 8.150 nan 0.000 0.445 151 Q N -0.427 118.889 119.800 -0.806 0.000 2.033 151 Q HA -0.131 4.203 4.340 -0.010 0.000 0.196 151 Q C 2.107 177.960 176.000 -0.244 0.000 0.970 151 Q CA 1.536 56.841 55.803 -0.830 0.000 0.828 151 Q CB -0.166 28.090 28.738 -0.804 0.000 0.895 151 Q HN 0.630 nan 8.270 nan 0.000 0.440 152 K N 0.121 120.413 120.400 -0.181 0.000 2.286 152 K HA -0.201 4.113 4.320 -0.010 0.000 0.203 152 K C 1.482 178.147 176.600 0.108 0.000 1.045 152 K CA 1.585 57.831 56.287 -0.067 0.000 0.935 152 K CB 0.155 32.567 32.500 -0.148 0.000 0.737 152 K HN 0.265 nan 8.250 nan 0.000 0.460 153 E N -1.282 118.955 120.200 0.061 0.000 2.244 153 E HA 0.045 4.389 4.350 -0.010 0.000 0.196 153 E C 1.706 178.414 176.600 0.180 0.000 0.939 153 E CA 0.417 56.897 56.400 0.134 0.000 0.884 153 E CB 0.215 29.953 29.700 0.063 0.000 0.850 153 E HN 0.327 nan 8.360 nan 0.000 0.481 154 A N 1.456 124.357 122.820 0.135 0.000 2.070 154 A HA -0.134 4.180 4.320 -0.010 0.000 0.220 154 A C 2.060 179.730 177.584 0.143 0.000 1.159 154 A CA 1.051 53.187 52.037 0.163 0.000 0.656 154 A CB -0.623 18.533 19.000 0.260 0.000 0.800 154 A HN 0.362 nan 8.150 nan 0.000 0.453 155 I N -5.592 115.070 120.570 0.153 0.000 3.904 155 I HA 0.328 4.492 4.170 -0.010 0.000 0.333 155 I C 1.422 177.639 176.117 0.166 0.000 1.361 155 I CA 0.085 61.464 61.300 0.131 0.000 1.116 155 I CB -0.035 38.040 38.000 0.125 0.000 1.028 155 I HN 0.136 nan 8.210 nan 0.000 0.398 156 Y N 1.435 121.768 120.300 0.056 0.000 2.476 156 Y HA 0.264 4.808 4.550 -0.010 0.000 0.283 156 Y C 2.339 178.221 175.900 -0.030 0.000 1.109 156 Y CA 0.736 58.817 58.100 -0.032 0.000 1.246 156 Y CB 0.082 38.558 38.460 0.027 0.000 1.068 156 Y HN 0.033 nan 8.280 nan 0.000 0.552 157 R N -0.184 120.360 120.500 0.074 0.000 2.070 157 R HA -0.166 4.168 4.340 -0.010 0.000 0.233 157 R C 2.172 178.457 176.300 -0.024 0.000 1.137 157 R CA 1.781 57.892 56.100 0.018 0.000 0.945 157 R CB -0.291 30.052 30.300 0.071 0.000 0.845 157 R HN 0.335 nan 8.270 nan 0.000 0.430 158 Q N 0.678 120.466 119.800 -0.020 0.000 2.124 158 Q HA -0.144 4.190 4.340 -0.010 0.000 0.202 158 Q C 2.157 178.111 176.000 -0.076 0.000 0.977 158 Q CA 0.961 56.728 55.803 -0.059 0.000 0.850 158 Q CB -0.346 28.304 28.738 -0.147 0.000 0.901 158 Q HN 0.328 nan 8.270 nan 0.000 0.429 159 L N 1.145 122.279 121.223 -0.149 0.000 2.109 159 L HA -0.140 4.194 4.340 -0.010 0.000 0.207 159 L C 1.797 178.511 176.870 -0.259 0.000 1.086 159 L CA 1.738 56.444 54.840 -0.223 0.000 0.760 159 L CB -0.506 41.343 42.059 -0.351 0.000 0.910 159 L HN 0.140 nan 8.230 nan 0.000 0.437 160 D N -0.109 120.091 120.400 -0.332 0.000 2.091 160 D HA -0.231 4.403 4.640 -0.010 0.000 0.199 160 D C 2.220 178.452 176.300 -0.112 0.000 0.980 160 D CA 1.709 55.531 54.000 -0.296 0.000 0.831 160 D CB 0.086 40.671 40.800 -0.359 0.000 0.987 160 D HN 0.632 nan 8.370 nan 0.000 0.460 161 Q N -0.412 119.367 119.800 -0.035 0.000 2.170 161 Q HA -0.085 4.249 4.340 -0.010 0.000 0.203 161 Q C 1.832 177.879 176.000 0.077 0.000 0.976 161 Q CA 1.748 57.572 55.803 0.036 0.000 0.858 161 Q CB -0.588 28.203 28.738 0.088 0.000 0.907 161 Q HN 0.036 nan 8.270 nan 0.000 0.433 162 T N 0.698 115.331 114.554 0.131 0.000 2.857 162 T HA -0.064 4.280 4.350 -0.010 0.000 0.266 162 T C 1.511 176.280 174.700 0.114 0.000 1.048 162 T CA 1.533 63.744 62.100 0.185 0.000 1.139 162 T CB -0.293 68.713 68.868 0.230 0.000 0.874 162 T HN 0.453 nan 8.240 nan 0.000 0.455 163 T N 1.915 116.487 114.554 0.029 0.000 3.160 163 T HA 0.076 4.420 4.350 -0.010 0.000 0.257 163 T C 1.613 176.370 174.700 0.096 0.000 1.147 163 T CA 0.523 62.634 62.100 0.019 0.000 1.064 163 T CB -0.059 68.759 68.868 -0.084 0.000 0.949 163 T HN 0.450 nan 8.240 nan 0.000 0.526 164 Q N -0.125 119.723 119.800 0.080 0.000 2.431 164 Q HA 0.283 4.617 4.340 -0.010 0.000 0.244 164 Q C 2.343 178.376 176.000 0.055 0.000 0.880 164 Q CA -0.147 55.694 55.803 0.063 0.000 0.954 164 Q CB 0.280 29.029 28.738 0.018 0.000 1.105 164 Q HN 0.227 nan 8.270 nan 0.000 0.558 165 R N 0.201 120.733 120.500 0.053 0.000 2.148 165 R HA -0.094 4.240 4.340 -0.010 0.000 0.227 165 R C 1.885 178.218 176.300 0.056 0.000 1.103 165 R CA 0.878 56.983 56.100 0.009 0.000 0.983 165 R CB -0.022 30.247 30.300 -0.052 0.000 0.874 165 R HN 0.201 nan 8.270 nan 0.000 0.451 166 F N 1.624 121.562 119.950 -0.020 0.000 2.186 166 F HA -0.142 4.380 4.527 -0.010 0.000 0.299 166 F C 1.539 177.328 175.800 -0.017 0.000 1.090 166 F CA 1.396 59.389 58.000 -0.012 0.000 1.307 166 F CB -0.164 38.834 39.000 -0.003 0.000 1.019 166 F HN 0.016 nan 8.300 nan 0.000 0.489 167 N N 0.653 119.341 118.700 -0.020 0.000 2.244 167 N HA -0.125 4.609 4.740 -0.010 0.000 0.183 167 N C 1.901 177.314 175.510 -0.161 0.000 1.016 167 N CA 1.594 54.572 53.050 -0.120 0.000 0.866 167 N CB -0.649 37.854 38.487 0.026 0.000 0.980 167 N HN 0.296 nan 8.380 nan 0.000 0.430 168 V N -0.226 119.619 119.914 -0.115 0.000 2.970 168 V HA 0.057 4.171 4.120 -0.010 0.000 0.260 168 V C 1.773 177.782 176.094 -0.142 0.000 1.100 168 V CA 1.198 63.434 62.300 -0.106 0.000 1.122 168 V CB -0.984 30.794 31.823 -0.076 0.000 0.721 168 V HN 0.474 nan 8.190 nan 0.000 0.483 169 G N -0.188 108.482 108.800 -0.217 0.000 2.176 169 G HA2 -0.321 3.633 3.960 -0.010 0.000 0.253 169 G HA3 -0.321 3.633 3.960 -0.010 0.000 0.253 169 G C 0.802 175.623 174.900 -0.132 0.000 0.979 169 G CA 0.533 45.496 45.100 -0.229 0.000 0.641 169 G HN 0.443 nan 8.290 nan 0.000 0.530 170 L N -0.031 121.136 121.223 -0.094 0.000 2.141 170 L HA 0.273 4.607 4.340 -0.010 0.000 0.209 170 L C 0.988 177.848 176.870 -0.018 0.000 1.094 170 L CA 1.170 55.975 54.840 -0.059 0.000 0.763 170 L CB 0.101 42.115 42.059 -0.075 0.000 0.908 170 L HN 0.188 nan 8.230 nan 0.000 0.437 171 V N -0.059 119.870 119.914 0.026 0.000 2.513 171 V HA 0.521 4.635 4.120 -0.010 0.000 0.299 171 V C 0.429 176.644 176.094 0.202 0.000 1.035 171 V CA -0.889 61.483 62.300 0.120 0.000 0.889 171 V CB 1.413 33.342 31.823 0.176 0.000 0.988 171 V HN 0.181 nan 8.190 nan 0.000 0.440 172 A N 4.330 127.258 122.820 0.179 0.000 2.429 172 A HA 0.348 4.662 4.320 -0.010 0.000 0.242 172 A C 1.202 178.979 177.584 0.320 0.000 1.088 172 A CA -0.027 52.123 52.037 0.190 0.000 0.784 172 A CB -0.016 19.052 19.000 0.114 0.000 1.038 172 A HN 0.977 nan 8.150 nan 0.000 0.501 173 I N -1.297 119.456 120.570 0.304 0.000 3.083 173 I HA -0.059 4.105 4.170 -0.010 0.000 0.273 173 I C 1.454 177.617 176.117 0.076 0.000 1.297 173 I CA 1.822 63.308 61.300 0.310 0.000 1.452 173 I CB -0.730 37.425 38.000 0.258 0.000 1.078 173 I HN 0.623 nan 8.210 nan 0.000 0.484 174 T N -0.363 114.231 114.554 0.066 0.000 2.999 174 T HA 0.007 4.351 4.350 -0.010 0.000 0.247 174 T C 1.509 176.212 174.700 0.005 0.000 1.012 174 T CA 0.391 62.505 62.100 0.023 0.000 1.048 174 T CB 0.020 68.909 68.868 0.034 0.000 1.020 174 T HN 0.255 nan 8.240 nan 0.000 0.478 175 D N 1.027 121.444 120.400 0.028 0.000 2.117 175 D HA -0.067 4.567 4.640 -0.010 0.000 0.197 175 D C 2.115 178.405 176.300 -0.017 0.000 0.987 175 D CA 1.022 55.037 54.000 0.025 0.000 0.829 175 D CB -0.033 40.812 40.800 0.074 0.000 0.961 175 D HN 0.268 nan 8.370 nan 0.000 0.460 176 V N 1.592 121.465 119.914 -0.067 0.000 2.343 176 V HA -0.224 3.890 4.120 -0.010 0.000 0.247 176 V C 2.582 178.607 176.094 -0.114 0.000 1.051 176 V CA 1.375 63.595 62.300 -0.134 0.000 1.036 176 V CB -0.394 31.244 31.823 -0.309 0.000 0.654 176 V HN 0.179 nan 8.190 nan 0.000 0.451 177 Q N 0.050 119.787 119.800 -0.104 0.000 2.135 177 Q HA -0.225 4.110 4.340 -0.010 0.000 0.204 177 Q C 2.270 178.250 176.000 -0.034 0.000 0.981 177 Q CA 1.728 57.491 55.803 -0.067 0.000 0.856 177 Q CB -0.686 28.020 28.738 -0.053 0.000 0.902 177 Q HN 0.741 nan 8.270 nan 0.000 0.425 178 N N 0.539 119.224 118.700 -0.024 0.000 2.216 178 N HA -0.103 4.631 4.740 -0.010 0.000 0.183 178 N C 1.667 177.175 175.510 -0.004 0.000 1.017 178 N CA 1.227 54.272 53.050 -0.009 0.000 0.861 178 N CB 0.080 38.564 38.487 -0.005 0.000 0.986 178 N HN 0.140 nan 8.380 nan 0.000 0.428 179 A N 1.638 124.447 122.820 -0.017 0.000 1.902 179 A HA -0.087 4.227 4.320 -0.010 0.000 0.217 179 A C 2.350 179.948 177.584 0.022 0.000 1.181 179 A CA 1.043 53.072 52.037 -0.013 0.000 0.623 179 A CB -0.521 18.450 19.000 -0.048 0.000 0.818 179 A HN 0.368 nan 8.150 nan 0.000 0.443 180 R N -0.639 119.862 120.500 0.002 0.000 2.096 180 R HA -0.062 4.272 4.340 -0.010 0.000 0.235 180 R C 2.381 178.745 176.300 0.108 0.000 1.127 180 R CA 1.200 57.325 56.100 0.041 0.000 0.968 180 R CB -0.385 29.912 30.300 -0.006 0.000 0.861 180 R HN 0.517 nan 8.270 nan 0.000 0.440 181 A N 0.499 123.355 122.820 0.059 0.000 1.970 181 A HA -0.155 4.160 4.320 -0.010 0.000 0.216 181 A C 2.014 179.629 177.584 0.052 0.000 1.170 181 A CA 0.845 52.912 52.037 0.049 0.000 0.645 181 A CB -0.235 18.779 19.000 0.022 0.000 0.816 181 A HN 0.304 nan 8.150 nan 0.000 0.447 182 Q N -1.969 117.867 119.800 0.060 0.000 2.172 182 Q HA -0.169 4.165 4.340 -0.010 0.000 0.200 182 Q C 1.801 177.847 176.000 0.077 0.000 0.964 182 Q CA 1.496 57.329 55.803 0.050 0.000 0.855 182 Q CB -0.263 28.499 28.738 0.039 0.000 0.918 182 Q HN 0.775 nan 8.270 nan 0.000 0.444 183 Y N 1.098 121.394 120.300 -0.006 0.000 2.200 183 Y HA -0.197 4.347 4.550 -0.010 0.000 0.290 183 Y C 1.479 177.381 175.900 0.002 0.000 1.137 183 Y CA 1.844 59.949 58.100 0.008 0.000 1.163 183 Y CB 0.018 38.498 38.460 0.033 0.000 0.988 183 Y HN 0.178 nan 8.280 nan 0.000 0.518 184 D N -0.648 119.764 120.400 0.019 0.000 2.144 184 D HA -0.145 4.489 4.640 -0.010 0.000 0.200 184 D C 2.150 178.384 176.300 -0.109 0.000 0.978 184 D CA 1.993 55.951 54.000 -0.070 0.000 0.833 184 D CB -0.627 40.190 40.800 0.027 0.000 0.961 184 D HN 0.530 nan 8.370 nan 0.000 0.470 185 T N -1.866 112.647 114.554 -0.068 0.000 3.160 185 T HA 0.025 4.369 4.350 -0.010 0.000 0.257 185 T C 1.715 176.357 174.700 -0.097 0.000 1.147 185 T CA 0.268 62.328 62.100 -0.066 0.000 1.064 185 T CB -0.080 68.767 68.868 -0.034 0.000 0.949 185 T HN -0.062 nan 8.240 nan 0.000 0.526 186 V N 0.428 120.247 119.914 -0.158 0.000 3.125 186 V HA 0.236 4.350 4.120 -0.010 0.000 0.249 186 V C 2.523 178.473 176.094 -0.239 0.000 1.113 186 V CA 0.243 62.428 62.300 -0.191 0.000 1.106 186 V CB -0.396 31.304 31.823 -0.206 0.000 0.768 186 V HN 0.418 nan 8.190 nan 0.000 0.468 187 L N 0.675 121.716 121.223 -0.304 0.000 2.042 187 L HA -0.185 4.149 4.340 -0.010 0.000 0.210 187 L C 2.747 179.529 176.870 -0.148 0.000 1.076 187 L CA 1.863 56.554 54.840 -0.248 0.000 0.749 187 L CB -0.682 41.237 42.059 -0.233 0.000 0.893 187 L HN 0.416 nan 8.230 nan 0.000 0.432 188 A N 0.080 122.828 122.820 -0.119 0.000 1.898 188 A HA -0.183 4.132 4.320 -0.010 0.000 0.216 188 A C 1.977 179.516 177.584 -0.076 0.000 1.181 188 A CA 1.697 53.685 52.037 -0.081 0.000 0.620 188 A CB -0.481 18.481 19.000 -0.063 0.000 0.819 188 A HN 0.408 nan 8.150 nan 0.000 0.442 189 N N 0.007 118.656 118.700 -0.085 0.000 2.166 189 N HA -0.133 4.601 4.740 -0.010 0.000 0.186 189 N C 1.664 177.128 175.510 -0.077 0.000 1.019 189 N CA 1.302 54.307 53.050 -0.074 0.000 0.856 189 N CB -0.381 38.061 38.487 -0.076 0.000 0.993 189 N HN 0.630 nan 8.380 nan 0.000 0.426 190 E N 0.676 120.818 120.200 -0.097 0.000 2.110 190 E HA -0.132 4.212 4.350 -0.010 0.000 0.193 190 E C 1.955 178.511 176.600 -0.074 0.000 0.988 190 E CA 0.410 56.755 56.400 -0.092 0.000 0.804 190 E CB -0.080 29.552 29.700 -0.114 0.000 0.745 190 E HN 0.289 nan 8.360 nan 0.000 0.458 191 L N 0.757 121.937 121.223 -0.071 0.000 1.994 191 L HA -0.140 4.194 4.340 -0.010 0.000 0.208 191 L C 2.393 179.235 176.870 -0.047 0.000 1.071 191 L CA 2.033 56.840 54.840 -0.056 0.000 0.745 191 L CB -0.339 41.688 42.059 -0.054 0.000 0.892 191 L HN 0.155 nan 8.230 nan 0.000 0.431 192 T N -3.020 111.506 114.554 -0.047 0.000 3.434 192 T HA 0.304 4.648 4.350 -0.010 0.000 0.249 192 T C 0.850 175.524 174.700 -0.044 0.000 1.050 192 T CA 0.314 62.389 62.100 -0.040 0.000 0.952 192 T CB 0.226 69.072 68.868 -0.036 0.000 1.046 192 T HN 0.393 nan 8.240 nan 0.000 0.590 193 A N 0.946 123.736 122.820 -0.050 0.000 2.127 193 A HA 0.398 4.712 4.320 -0.010 0.000 0.204 193 A C 2.406 179.959 177.584 -0.051 0.000 1.243 193 A CA -0.256 51.749 52.037 -0.053 0.000 0.887 193 A CB 0.040 19.005 19.000 -0.059 0.000 0.933 193 A HN 0.427 nan 8.150 nan 0.000 0.479 194 R N 0.142 120.614 120.500 -0.046 0.000 2.061 194 R HA -0.123 4.211 4.340 -0.010 0.000 0.230 194 R C 2.098 178.379 176.300 -0.032 0.000 1.140 194 R CA 1.704 57.780 56.100 -0.039 0.000 0.940 194 R CB -0.445 29.834 30.300 -0.036 0.000 0.839 194 R HN 0.625 nan 8.270 nan 0.000 0.429 195 N N 0.644 119.326 118.700 -0.029 0.000 2.137 195 N HA -0.198 4.536 4.740 -0.010 0.000 0.190 195 N C 1.422 176.917 175.510 -0.026 0.000 1.017 195 N CA 1.541 54.577 53.050 -0.023 0.000 0.859 195 N CB -0.084 38.389 38.487 -0.023 0.000 1.002 195 N HN 0.113 nan 8.380 nan 0.000 0.428 196 N N -0.325 118.355 118.700 -0.034 0.000 2.309 196 N HA -0.083 4.652 4.740 -0.010 0.000 0.182 196 N C 1.268 176.750 175.510 -0.046 0.000 1.018 196 N CA 0.374 53.400 53.050 -0.040 0.000 0.876 196 N CB -0.210 38.249 38.487 -0.048 0.000 0.972 196 N HN 0.272 nan 8.380 nan 0.000 0.434 197 L N 0.612 121.808 121.223 -0.045 0.000 2.162 197 L HA 0.035 4.369 4.340 -0.010 0.000 0.205 197 L C 1.249 178.103 176.870 -0.027 0.000 1.086 197 L CA 1.628 56.440 54.840 -0.046 0.000 0.778 197 L CB -0.633 41.397 42.059 -0.049 0.000 0.928 197 L HN -0.022 nan 8.230 nan 0.000 0.446 198 D N -0.109 120.282 120.400 -0.015 0.000 2.078 198 D HA -0.164 4.470 4.640 -0.010 0.000 0.193 198 D C 1.750 178.053 176.300 0.006 0.000 0.990 198 D CA 1.309 55.312 54.000 0.005 0.000 0.827 198 D CB -0.215 40.590 40.800 0.007 0.000 0.975 198 D HN 0.304 nan 8.370 nan 0.000 0.451 199 N N 0.373 119.071 118.700 -0.005 0.000 2.453 199 N HA -0.033 4.702 4.740 -0.010 0.000 0.183 199 N C 1.479 176.979 175.510 -0.016 0.000 1.041 199 N CA 0.743 53.789 53.050 -0.006 0.000 0.900 199 N CB -0.134 38.347 38.487 -0.009 0.000 0.961 199 N HN 0.120 nan 8.380 nan 0.000 0.443 200 A N 0.243 123.048 122.820 -0.025 0.000 1.929 200 A HA -0.008 4.306 4.320 -0.010 0.000 0.216 200 A C 2.343 179.907 177.584 -0.034 0.000 1.176 200 A CA 0.782 52.798 52.037 -0.035 0.000 0.628 200 A CB -0.536 18.432 19.000 -0.053 0.000 0.816 200 A HN 0.083 nan 8.150 nan 0.000 0.444 201 V N 0.696 120.596 119.914 -0.022 0.000 2.490 201 V HA -0.153 3.961 4.120 -0.010 0.000 0.250 201 V C 1.557 177.629 176.094 -0.036 0.000 1.061 201 V CA 1.784 64.078 62.300 -0.011 0.000 1.064 201 V CB -0.601 31.241 31.823 0.033 0.000 0.670 201 V HN 0.486 nan 8.190 nan 0.000 0.461 202 E N 0.117 120.302 120.200 -0.025 0.000 2.359 202 E HA 0.031 4.375 4.350 -0.010 0.000 0.187 202 E C 1.406 177.984 176.600 -0.036 0.000 1.081 202 E CA 0.127 56.505 56.400 -0.038 0.000 0.929 202 E CB 0.187 29.885 29.700 -0.003 0.000 1.086 202 E HN 0.641 nan 8.360 nan 0.000 0.462 203 Q N -0.871 118.907 119.800 -0.036 0.000 2.322 203 Q HA 0.120 4.454 4.340 -0.010 0.000 0.250 203 Q C 1.666 177.648 176.000 -0.031 0.000 0.853 203 Q CA -0.053 55.733 55.803 -0.028 0.000 0.951 203 Q CB 0.232 28.959 28.738 -0.019 0.000 1.114 203 Q HN 0.169 nan 8.270 nan 0.000 0.523 204 L N 0.916 122.115 121.223 -0.039 0.000 2.249 204 L HA 0.141 4.475 4.340 -0.010 0.000 0.207 204 L C 1.642 178.490 176.870 -0.036 0.000 1.090 204 L CA 1.231 56.053 54.840 -0.030 0.000 0.802 204 L CB 0.076 42.117 42.059 -0.030 0.000 0.947 204 L HN -0.046 nan 8.230 nan 0.000 0.453 205 R N -0.984 119.451 120.500 -0.109 0.000 2.386 205 R HA -0.045 4.289 4.340 -0.010 0.000 0.216 205 R C 1.233 177.451 176.300 -0.137 0.000 1.119 205 R CA 0.275 56.245 56.100 -0.216 0.000 1.158 205 R CB -0.006 30.007 30.300 -0.478 0.000 1.057 205 R HN 0.529 nan 8.270 nan 0.000 0.489 206 Q N -0.354 119.406 119.800 -0.067 0.000 2.534 206 Q HA 0.148 4.482 4.340 -0.010 0.000 0.207 206 Q C 1.514 177.504 176.000 -0.017 0.000 0.735 206 Q CA -0.105 55.675 55.803 -0.039 0.000 0.904 206 Q CB 0.446 29.166 28.738 -0.031 0.000 1.294 206 Q HN 0.223 nan 8.270 nan 0.000 0.553 207 I N 1.051 121.616 120.570 -0.010 0.000 2.916 207 I HA -0.136 4.028 4.170 -0.010 0.000 0.267 207 I C 1.229 177.350 176.117 0.008 0.000 1.263 207 I CA 1.112 62.413 61.300 0.003 0.000 1.471 207 I CB 0.151 38.156 38.000 0.008 0.000 1.089 207 I HN 0.247 nan 8.210 nan 0.000 0.468 208 T N -0.978 113.583 114.554 0.013 0.000 3.098 208 T HA 0.251 4.596 4.350 -0.010 0.000 0.246 208 T C 1.270 175.989 174.700 0.031 0.000 0.983 208 T CA 0.584 62.709 62.100 0.043 0.000 1.094 208 T CB 0.619 69.562 68.868 0.126 0.000 1.035 208 T HN 0.376 nan 8.240 nan 0.000 0.456 209 G N 2.777 111.577 108.800 -0.001 0.000 2.248 209 G HA2 -0.167 3.787 3.960 -0.010 0.000 0.252 209 G HA3 -0.167 3.787 3.960 -0.010 0.000 0.252 209 G C -0.467 174.409 174.900 -0.041 0.000 1.085 209 G CA -0.373 44.706 45.100 -0.034 0.000 0.845 209 G HN 0.431 nan 8.290 nan 0.000 0.494 210 N N -0.971 117.696 118.700 -0.055 0.000 2.371 210 N HA 0.376 5.110 4.740 -0.010 0.000 0.280 210 N C -1.071 174.346 175.510 -0.156 0.000 1.084 210 N CA -0.605 52.381 53.050 -0.107 0.000 0.892 210 N CB 1.093 39.460 38.487 -0.200 0.000 1.653 210 N HN 0.128 nan 8.380 nan 0.000 0.480 211 Y N 1.580 121.831 120.300 -0.082 0.000 2.504 211 Y HA 0.246 4.790 4.550 -0.010 0.000 0.351 211 Y C -0.188 175.649 175.900 -0.105 0.000 0.988 211 Y CA -0.264 57.822 58.100 -0.023 0.000 1.239 211 Y CB 0.112 38.553 38.460 -0.031 0.000 1.128 211 Y HN 0.355 nan 8.280 nan 0.000 0.525 212 Y N 5.157 125.515 120.300 0.097 0.000 2.383 212 Y HA 0.234 4.778 4.550 -0.010 0.000 0.344 212 Y C -1.563 174.379 175.900 0.069 0.000 0.986 212 Y CA -2.574 55.570 58.100 0.073 0.000 1.175 212 Y CB 0.864 39.355 38.460 0.052 0.000 1.152 212 Y HN 0.496 nan 8.280 nan 0.000 0.511 213 P HA 0.042 nan 4.420 nan 0.000 0.240 213 P C -0.832 176.527 177.300 0.098 0.000 1.190 213 P CA 0.717 63.880 63.100 0.104 0.000 0.781 213 P CB 0.767 32.502 31.700 0.059 0.000 0.931 214 E N -0.661 119.619 120.200 0.133 0.000 2.390 214 E HA 0.574 4.918 4.350 -0.010 0.000 0.280 214 E C -1.152 175.530 176.600 0.137 0.000 0.992 214 E CA -0.930 55.533 56.400 0.105 0.000 0.790 214 E CB 1.975 31.725 29.700 0.083 0.000 1.248 214 E HN -0.171 nan 8.360 nan 0.000 0.447 215 L N -2.190 119.084 121.223 0.085 0.000 2.720 215 L HA 0.865 5.199 4.340 -0.010 0.000 0.261 215 L C -1.095 175.824 176.870 0.083 0.000 1.046 215 L CA -1.264 53.633 54.840 0.095 0.000 0.886 215 L CB 1.138 43.231 42.059 0.058 0.000 1.493 215 L HN 0.530 nan 8.230 nan 0.000 0.407 216 A N 0.869 123.781 122.820 0.153 0.000 2.396 216 A HA 0.762 5.076 4.320 -0.010 0.000 0.279 216 A C 0.467 178.145 177.584 0.158 0.000 1.165 216 A CA 0.299 52.429 52.037 0.156 0.000 0.824 216 A CB -0.522 18.583 19.000 0.175 0.000 1.100 216 A HN 1.236 nan 8.150 nan 0.000 0.516 217 A N 3.109 125.997 122.820 0.113 0.000 2.340 217 A HA 0.553 4.867 4.320 -0.010 0.000 0.268 217 A C 0.472 178.147 177.584 0.152 0.000 1.100 217 A CA -0.581 51.531 52.037 0.126 0.000 0.803 217 A CB 0.108 19.161 19.000 0.089 0.000 1.043 217 A HN 1.654 nan 8.150 nan 0.000 0.488 218 L N 0.771 122.098 121.223 0.173 0.000 2.455 218 L HA 0.323 4.658 4.340 -0.010 0.000 0.272 218 L C -0.005 176.940 176.870 0.125 0.000 1.174 218 L CA -0.547 54.383 54.840 0.150 0.000 0.869 218 L CB 0.120 42.242 42.059 0.106 0.000 1.130 218 L HN 0.623 nan 8.230 nan 0.000 0.474 219 N N 2.748 121.524 118.700 0.128 0.000 2.475 219 N HA 0.141 4.875 4.740 -0.010 0.000 0.267 219 N C 0.893 176.491 175.510 0.146 0.000 1.169 219 N CA -0.272 52.845 53.050 0.112 0.000 0.947 219 N CB 1.613 40.153 38.487 0.089 0.000 1.061 219 N HN 0.617 nan 8.380 nan 0.000 0.466 220 V N 2.962 122.934 119.914 0.096 0.000 2.307 220 V HA -0.178 3.936 4.120 -0.010 0.000 0.245 220 V C 2.172 178.307 176.094 0.069 0.000 1.045 220 V CA 1.819 64.153 62.300 0.057 0.000 1.024 220 V CB -0.589 31.250 31.823 0.026 0.000 0.651 220 V HN 0.797 nan 8.190 nan 0.000 0.449 221 E N 1.387 121.629 120.200 0.070 0.000 2.170 221 E HA -0.163 4.181 4.350 -0.010 0.000 0.191 221 E C 1.246 177.905 176.600 0.098 0.000 0.981 221 E CA 0.918 57.358 56.400 0.067 0.000 0.830 221 E CB -0.753 28.972 29.700 0.042 0.000 0.775 221 E HN 0.603 nan 8.360 nan 0.000 0.470 222 N N 0.200 118.961 118.700 0.103 0.000 3.127 222 N HA 0.051 4.785 4.740 -0.010 0.000 0.317 222 N C -1.790 173.791 175.510 0.119 0.000 1.242 222 N CA -0.091 53.009 53.050 0.085 0.000 1.203 222 N CB -0.767 37.754 38.487 0.057 0.000 1.462 222 N HN 0.011 nan 8.380 nan 0.000 0.546 223 F N 0.717 120.650 119.950 -0.029 0.000 2.573 223 F HA 0.457 4.979 4.527 -0.009 0.000 0.316 223 F C -0.978 174.782 175.800 -0.066 0.000 1.148 223 F CA -0.838 57.131 58.000 -0.051 0.000 0.940 223 F CB 1.434 40.390 39.000 -0.073 0.000 1.214 223 F HN -0.100 nan 8.300 nan 0.000 0.448 224 K N 3.198 123.549 120.400 -0.081 0.000 2.541 224 K HA 0.368 4.682 4.320 -0.010 0.000 0.250 224 K C -0.997 175.534 176.600 -0.115 0.000 0.950 224 K CA -0.806 55.470 56.287 -0.018 0.000 0.805 224 K CB 2.025 34.504 32.500 -0.036 0.000 1.166 224 K HN 0.601 nan 8.250 nan 0.000 0.430 225 T N -0.470 114.036 114.554 -0.081 0.000 2.794 225 T HA 0.165 4.510 4.350 -0.010 0.000 0.304 225 T C -0.048 174.610 174.700 -0.071 0.000 0.973 225 T CA -0.776 61.166 62.100 -0.263 0.000 0.972 225 T CB 0.463 69.113 68.868 -0.363 0.000 0.952 225 T HN 0.301 nan 8.240 nan 0.000 0.509 226 D N 2.819 123.250 120.400 0.053 0.000 2.304 226 D HA 0.128 4.762 4.640 -0.010 0.000 0.250 226 D C 0.069 176.450 176.300 0.135 0.000 1.107 226 D CA -0.356 53.697 54.000 0.087 0.000 0.885 226 D CB 1.056 41.910 40.800 0.089 0.000 1.192 226 D HN 0.542 nan 8.370 nan 0.000 0.436 227 K N 4.304 124.758 120.400 0.089 0.000 2.416 227 K HA 0.129 4.443 4.320 -0.010 0.000 0.283 227 K C -2.011 174.664 176.600 0.124 0.000 1.037 227 K CA -1.149 55.197 56.287 0.098 0.000 0.995 227 K CB 0.586 33.127 32.500 0.069 0.000 0.938 227 K HN 0.303 nan 8.250 nan 0.000 0.475 228 P HA -0.080 nan 4.420 nan 0.000 0.266 228 P C -0.788 176.636 177.300 0.207 0.000 1.195 228 P CA -0.037 63.175 63.100 0.188 0.000 0.768 228 P CB 0.535 32.385 31.700 0.250 0.000 0.838 229 Q N 3.780 123.661 119.800 0.135 0.000 2.428 229 Q HA 0.143 4.477 4.340 -0.010 0.000 0.276 229 Q C -2.130 173.900 176.000 0.050 0.000 1.059 229 Q CA -1.635 54.214 55.803 0.077 0.000 0.923 229 Q CB -1.153 27.600 28.738 0.025 0.000 1.283 229 Q HN 0.405 nan 8.270 nan 0.000 0.447 230 P HA -0.101 nan 4.420 nan 0.000 0.269 230 P C 0.821 177.896 177.300 -0.375 0.000 1.211 230 P CA -0.163 62.873 63.100 -0.106 0.000 0.781 230 P CB 0.617 32.283 31.700 -0.057 0.000 0.877 231 V N 2.478 122.003 119.914 -0.648 0.000 2.237 231 V HA -0.289 3.825 4.120 -0.010 0.000 0.245 231 V C 1.874 177.742 176.094 -0.377 0.000 1.046 231 V CA 2.406 64.203 62.300 -0.838 0.000 1.007 231 V CB -1.301 30.015 31.823 -0.846 0.000 0.638 231 V HN 0.448 nan 8.190 nan 0.000 0.445 232 N N 0.919 119.483 118.700 -0.227 0.000 2.223 232 N HA -0.066 4.669 4.740 -0.010 0.000 0.185 232 N C 1.768 177.214 175.510 -0.108 0.000 1.016 232 N CA 1.568 54.539 53.050 -0.131 0.000 0.863 232 N CB -0.518 37.921 38.487 -0.080 0.000 0.983 232 N HN 0.617 nan 8.380 nan 0.000 0.429 233 A N 0.519 123.270 122.820 -0.115 0.000 1.929 233 A HA 0.007 4.322 4.320 -0.010 0.000 0.216 233 A C 2.101 179.633 177.584 -0.086 0.000 1.176 233 A CA 0.823 52.811 52.037 -0.082 0.000 0.628 233 A CB -0.593 18.367 19.000 -0.067 0.000 0.816 233 A HN 0.204 nan 8.150 nan 0.000 0.444 234 L N -1.091 120.053 121.223 -0.131 0.000 2.093 234 L HA -0.099 4.235 4.340 -0.010 0.000 0.208 234 L C 2.546 179.359 176.870 -0.095 0.000 1.085 234 L CA 0.966 55.737 54.840 -0.115 0.000 0.755 234 L CB -0.311 41.652 42.059 -0.160 0.000 0.904 234 L HN 0.448 nan 8.230 nan 0.000 0.435 235 L N -0.380 120.776 121.223 -0.111 0.000 2.072 235 L HA -0.201 4.133 4.340 -0.010 0.000 0.205 235 L C 2.595 179.440 176.870 -0.041 0.000 1.079 235 L CA 1.436 56.227 54.840 -0.081 0.000 0.752 235 L CB -0.120 41.885 42.059 -0.090 0.000 0.906 235 L HN 0.117 nan 8.230 nan 0.000 0.436 236 K N -0.463 119.915 120.400 -0.036 0.000 2.002 236 K HA -0.261 4.053 4.320 -0.010 0.000 0.209 236 K C 2.003 178.598 176.600 -0.008 0.000 1.048 236 K CA 1.699 57.978 56.287 -0.012 0.000 0.930 236 K CB -0.187 32.303 32.500 -0.016 0.000 0.714 236 K HN 0.198 nan 8.250 nan 0.000 0.438 237 E N 1.274 121.462 120.200 -0.020 0.000 2.097 237 E HA -0.225 4.119 4.350 -0.010 0.000 0.196 237 E C 1.690 178.284 176.600 -0.009 0.000 1.000 237 E CA 1.872 58.264 56.400 -0.015 0.000 0.804 237 E CB -0.244 29.443 29.700 -0.022 0.000 0.740 237 E HN 0.291 nan 8.360 nan 0.000 0.454 238 A N 1.248 124.058 122.820 -0.016 0.000 1.873 238 A HA -0.189 4.125 4.320 -0.010 0.000 0.215 238 A C 1.804 179.393 177.584 0.008 0.000 1.186 238 A CA 1.572 53.602 52.037 -0.012 0.000 0.616 238 A CB -0.889 18.094 19.000 -0.028 0.000 0.823 238 A HN 0.549 nan 8.150 nan 0.000 0.442 239 E N -0.601 119.612 120.200 0.022 0.000 2.385 239 E HA 0.007 4.351 4.350 -0.010 0.000 0.201 239 E C 0.726 177.361 176.600 0.058 0.000 1.250 239 E CA 0.710 57.155 56.400 0.075 0.000 1.104 239 E CB -0.086 29.701 29.700 0.145 0.000 1.174 239 E HN 0.626 nan 8.360 nan 0.000 0.461 240 K N -0.218 120.202 120.400 0.033 0.000 2.890 240 K HA 0.169 4.483 4.320 -0.010 0.000 0.202 240 K C 1.655 178.268 176.600 0.021 0.000 1.592 240 K CA -0.256 56.046 56.287 0.025 0.000 1.197 240 K CB 0.460 32.970 32.500 0.017 0.000 1.913 240 K HN -0.109 nan 8.250 nan 0.000 0.550 241 R N 1.634 122.143 120.500 0.014 0.000 2.334 241 R HA 0.182 4.516 4.340 -0.010 0.000 0.216 241 R C 0.032 176.338 176.300 0.010 0.000 0.905 241 R CA -0.084 56.023 56.100 0.011 0.000 1.064 241 R CB 0.206 30.509 30.300 0.005 0.000 1.046 241 R HN 0.129 nan 8.270 nan 0.000 0.508 242 N N 0.718 119.426 118.700 0.012 0.000 2.483 242 N HA -0.051 4.683 4.740 -0.010 0.000 0.264 242 N C 0.721 176.240 175.510 0.015 0.000 1.197 242 N CA -0.049 53.006 53.050 0.009 0.000 0.927 242 N CB 0.801 39.292 38.487 0.008 0.000 1.065 242 N HN 0.177 nan 8.380 nan 0.000 0.461 243 L N 2.427 123.656 121.223 0.010 0.000 2.291 243 L HA -0.094 4.240 4.340 -0.010 0.000 0.214 243 L C 2.211 179.092 176.870 0.018 0.000 1.120 243 L CA 0.607 55.456 54.840 0.015 0.000 0.799 243 L CB -0.092 41.972 42.059 0.009 0.000 0.925 243 L HN 0.561 nan 8.230 nan 0.000 0.446 244 S N 0.209 115.918 115.700 0.015 0.000 2.406 244 S HA -0.023 4.442 4.470 -0.010 0.000 0.224 244 S C 1.646 176.260 174.600 0.024 0.000 1.030 244 S CA 0.729 58.938 58.200 0.017 0.000 0.958 244 S CB 0.033 63.239 63.200 0.010 0.000 0.811 244 S HN 0.318 nan 8.310 nan 0.000 0.489 245 L N 0.113 121.355 121.223 0.032 0.000 2.418 245 L HA 0.347 4.682 4.340 -0.010 0.000 0.218 245 L C 1.762 178.653 176.870 0.036 0.000 1.125 245 L CA 0.821 55.687 54.840 0.043 0.000 0.835 245 L CB -1.287 40.819 42.059 0.077 0.000 0.953 245 L HN 0.091 nan 8.230 nan 0.000 0.454 246 L N -0.347 120.895 121.223 0.032 0.000 2.005 246 L HA -0.149 4.185 4.340 -0.010 0.000 0.207 246 L C 2.824 179.713 176.870 0.030 0.000 1.072 246 L CA 1.705 56.564 54.840 0.031 0.000 0.744 246 L CB -0.540 41.538 42.059 0.032 0.000 0.895 246 L HN 0.377 nan 8.230 nan 0.000 0.433 247 Q N -1.159 118.659 119.800 0.029 0.000 2.112 247 Q HA -0.265 4.069 4.340 -0.010 0.000 0.206 247 Q C 2.171 178.184 176.000 0.022 0.000 0.987 247 Q CA 1.844 57.663 55.803 0.027 0.000 0.858 247 Q CB -0.275 28.479 28.738 0.026 0.000 0.905 247 Q HN 0.680 nan 8.270 nan 0.000 0.420 248 A N 0.621 123.453 122.820 0.020 0.000 1.969 248 A HA -0.184 4.130 4.320 -0.010 0.000 0.218 248 A C 1.958 179.548 177.584 0.010 0.000 1.169 248 A CA 1.231 53.275 52.037 0.013 0.000 0.635 248 A CB -0.316 18.692 19.000 0.013 0.000 0.810 248 A HN 0.233 nan 8.150 nan 0.000 0.445 249 R N -0.604 119.906 120.500 0.017 0.000 2.062 249 R HA 0.041 4.375 4.340 -0.010 0.000 0.231 249 R C 2.017 178.336 176.300 0.032 0.000 1.136 249 R CA 1.400 57.512 56.100 0.020 0.000 0.948 249 R CB -0.456 29.857 30.300 0.023 0.000 0.845 249 R HN 0.493 nan 8.270 nan 0.000 0.430 250 L N -0.081 121.161 121.223 0.031 0.000 2.191 250 L HA -0.164 4.170 4.340 -0.010 0.000 0.212 250 L C 2.424 179.314 176.870 0.034 0.000 1.103 250 L CA 0.946 55.806 54.840 0.033 0.000 0.769 250 L CB -0.332 41.744 42.059 0.028 0.000 0.908 250 L HN 0.208 nan 8.230 nan 0.000 0.438 251 S N -0.961 114.756 115.700 0.029 0.000 2.436 251 S HA -0.177 4.287 4.470 -0.010 0.000 0.228 251 S C 1.907 176.534 174.600 0.044 0.000 1.014 251 S CA 0.865 59.083 58.200 0.029 0.000 0.950 251 S CB 0.034 63.244 63.200 0.017 0.000 0.784 251 S HN 0.423 nan 8.310 nan 0.000 0.504 252 Q N 0.256 120.082 119.800 0.043 0.000 2.230 252 Q HA -0.126 4.208 4.340 -0.010 0.000 0.202 252 Q C 1.553 177.661 176.000 0.180 0.000 0.963 252 Q CA 1.399 57.247 55.803 0.075 0.000 0.866 252 Q CB -0.126 28.618 28.738 0.009 0.000 0.931 252 Q HN 0.481 nan 8.270 nan 0.000 0.452 253 D N 0.186 120.655 120.400 0.116 0.000 2.097 253 D HA -0.183 4.451 4.640 -0.010 0.000 0.195 253 D C 1.859 178.210 176.300 0.086 0.000 0.989 253 D CA 0.829 54.889 54.000 0.100 0.000 0.827 253 D CB -0.099 40.738 40.800 0.062 0.000 0.966 253 D HN 0.250 nan 8.370 nan 0.000 0.456 254 L N 0.100 121.364 121.223 0.068 0.000 2.046 254 L HA -0.063 4.271 4.340 -0.010 0.000 0.208 254 L C 2.206 179.120 176.870 0.073 0.000 1.077 254 L CA 1.946 56.817 54.840 0.051 0.000 0.747 254 L CB -0.519 41.559 42.059 0.033 0.000 0.896 254 L HN 0.096 nan 8.230 nan 0.000 0.432 255 A N -0.753 122.140 122.820 0.121 0.000 1.969 255 A HA -0.205 4.109 4.320 -0.010 0.000 0.218 255 A C 2.460 180.157 177.584 0.188 0.000 1.169 255 A CA 1.542 53.682 52.037 0.171 0.000 0.635 255 A CB -0.577 18.557 19.000 0.223 0.000 0.810 255 A HN 0.481 nan 8.150 nan 0.000 0.445 256 R N -0.424 120.192 120.500 0.193 0.000 2.062 256 R HA -0.170 4.165 4.340 -0.010 0.000 0.231 256 R C 1.994 178.259 176.300 -0.059 0.000 1.136 256 R CA 1.778 57.860 56.100 -0.029 0.000 0.948 256 R CB -0.260 30.034 30.300 -0.010 0.000 0.845 256 R HN 0.379 nan 8.270 nan 0.000 0.430 257 E N 0.707 120.905 120.200 -0.004 0.000 2.333 257 E HA -0.175 4.169 4.350 -0.010 0.000 0.198 257 E C 1.702 178.296 176.600 -0.010 0.000 1.007 257 E CA 1.272 57.666 56.400 -0.010 0.000 0.845 257 E CB 0.077 29.781 29.700 0.008 0.000 0.766 257 E HN 0.440 nan 8.360 nan 0.000 0.507 258 Q N -0.706 119.095 119.800 0.002 0.000 2.245 258 Q HA -0.021 4.314 4.340 -0.010 0.000 0.201 258 Q C 2.233 178.226 176.000 -0.012 0.000 0.955 258 Q CA 1.123 56.929 55.803 0.004 0.000 0.870 258 Q CB -0.184 28.570 28.738 0.027 0.000 0.945 258 Q HN 0.559 nan 8.270 nan 0.000 0.461 259 I N -2.020 118.525 120.570 -0.040 0.000 2.361 259 I HA -0.202 3.962 4.170 -0.010 0.000 0.251 259 I C 1.959 178.045 176.117 -0.052 0.000 1.133 259 I CA 1.212 62.472 61.300 -0.066 0.000 1.413 259 I CB 0.001 37.911 38.000 -0.150 0.000 1.073 259 I HN -0.104 nan 8.210 nan 0.000 0.424 260 R N 0.701 121.172 120.500 -0.048 0.000 2.075 260 R HA -0.047 4.287 4.340 -0.010 0.000 0.226 260 R C 2.451 178.741 176.300 -0.018 0.000 1.114 260 R CA 1.406 57.487 56.100 -0.031 0.000 0.972 260 R CB -0.567 29.715 30.300 -0.030 0.000 0.869 260 R HN 0.566 nan 8.270 nan 0.000 0.437 261 Q N -0.055 119.734 119.800 -0.017 0.000 2.096 261 Q HA -0.172 4.162 4.340 -0.010 0.000 0.204 261 Q C 1.822 177.806 176.000 -0.026 0.000 0.982 261 Q CA 1.862 57.654 55.803 -0.018 0.000 0.850 261 Q CB -0.110 28.620 28.738 -0.014 0.000 0.901 261 Q HN 0.390 nan 8.270 nan 0.000 0.422 262 A N 0.446 123.253 122.820 -0.023 0.000 1.933 262 A HA -0.213 4.101 4.320 -0.010 0.000 0.218 262 A C 1.883 179.449 177.584 -0.031 0.000 1.175 262 A CA 1.512 53.530 52.037 -0.031 0.000 0.628 262 A CB -0.463 18.526 19.000 -0.019 0.000 0.814 262 A HN 0.522 nan 8.150 nan 0.000 0.444 263 Q N -0.479 119.327 119.800 0.009 0.000 2.291 263 Q HA -0.138 4.196 4.340 -0.010 0.000 0.205 263 Q C 0.863 176.908 176.000 0.075 0.000 0.970 263 Q CA 1.070 56.923 55.803 0.084 0.000 0.876 263 Q CB -0.073 28.704 28.738 0.064 0.000 0.935 263 Q HN 0.574 nan 8.270 nan 0.000 0.455 264 D N -0.322 120.078 120.400 0.001 0.000 2.310 264 D HA -0.088 4.546 4.640 -0.010 0.000 0.212 264 D C 1.622 177.888 176.300 -0.057 0.000 0.965 264 D CA 0.960 54.944 54.000 -0.026 0.000 0.879 264 D CB -0.327 40.441 40.800 -0.054 0.000 0.921 264 D HN 0.357 nan 8.370 nan 0.000 0.510 265 G N -0.573 108.161 108.800 -0.110 0.000 2.776 265 G HA2 -0.181 3.773 3.960 -0.010 0.000 0.209 265 G HA3 -0.181 3.773 3.960 -0.010 0.000 0.209 265 G C 1.244 175.990 174.900 -0.256 0.000 1.145 265 G CA 0.299 45.285 45.100 -0.189 0.000 0.791 265 G HN 0.372 nan 8.290 nan 0.000 0.530 266 H N -0.558 118.494 119.070 -0.030 0.000 2.388 266 H HA 0.166 4.717 4.556 -0.010 0.000 0.304 266 H C 0.794 176.115 175.328 -0.011 0.000 1.049 266 H CA -0.197 55.842 56.048 -0.014 0.000 1.371 266 H CB -0.025 29.737 29.762 -0.001 0.000 1.436 266 H HN 0.139 nan 8.280 nan 0.000 0.544 267 L N 3.856 125.146 121.223 0.112 0.000 2.543 267 L HA -0.026 4.308 4.340 -0.010 0.000 0.285 267 L C -1.637 175.245 176.870 0.019 0.000 1.236 267 L CA -0.518 54.370 54.840 0.080 0.000 0.871 267 L CB -0.153 41.930 42.059 0.040 0.000 1.121 267 L HN 0.142 nan 8.230 nan 0.000 0.501 268 P HA 0.183 nan 4.420 nan 0.000 0.276 268 P C -0.731 176.515 177.300 -0.090 0.000 1.261 268 P CA -0.504 62.535 63.100 -0.102 0.000 0.800 268 P CB 1.194 32.834 31.700 -0.099 0.000 1.066 269 T N 0.616 115.020 114.554 -0.250 0.000 2.900 269 T HA 0.515 4.860 4.350 -0.010 0.000 0.295 269 T C -1.495 173.147 174.700 -0.097 0.000 1.044 269 T CA -0.707 61.314 62.100 -0.132 0.000 0.995 269 T CB 0.513 69.299 68.868 -0.137 0.000 1.072 269 T HN 0.250 nan 8.240 nan 0.000 0.473 270 L N 4.228 125.496 121.223 0.075 0.000 2.406 270 L HA 0.536 4.871 4.340 -0.010 0.000 0.270 270 L C -1.235 175.707 176.870 0.119 0.000 0.982 270 L CA -0.407 54.524 54.840 0.152 0.000 0.843 270 L CB 1.524 43.743 42.059 0.266 0.000 1.225 270 L HN 0.778 nan 8.230 nan 0.000 0.412 271 D N 4.368 124.823 120.400 0.092 0.000 2.252 271 D HA 0.409 5.043 4.640 -0.010 0.000 0.245 271 D C -0.734 175.610 176.300 0.073 0.000 1.009 271 D CA -0.325 53.718 54.000 0.070 0.000 0.870 271 D CB 3.357 44.183 40.800 0.043 0.000 1.251 271 D HN 0.419 nan 8.370 nan 0.000 0.460 272 L N 1.353 122.614 121.223 0.062 0.000 2.307 272 L HA 0.420 4.755 4.340 -0.010 0.000 0.284 272 L C -0.649 176.245 176.870 0.040 0.000 1.023 272 L CA -0.068 54.804 54.840 0.054 0.000 0.810 272 L CB 1.475 43.567 42.059 0.055 0.000 1.231 272 L HN 0.280 nan 8.230 nan 0.000 0.423 273 T N 3.259 117.835 114.554 0.036 0.000 2.885 273 T HA 0.878 5.222 4.350 -0.010 0.000 0.285 273 T C -0.718 173.997 174.700 0.024 0.000 1.019 273 T CA -0.622 61.495 62.100 0.027 0.000 1.010 273 T CB 1.811 70.694 68.868 0.025 0.000 1.022 273 T HN 0.767 nan 8.240 nan 0.000 0.466 274 A N 1.919 124.751 122.820 0.020 0.000 2.465 274 A HA 0.823 5.137 4.320 -0.010 0.000 0.292 274 A C -0.340 177.253 177.584 0.014 0.000 1.041 274 A CA -0.848 51.200 52.037 0.018 0.000 0.718 274 A CB 1.304 20.315 19.000 0.018 0.000 1.266 274 A HN 1.145 nan 8.150 nan 0.000 0.403 275 S N 0.231 115.939 115.700 0.013 0.000 2.618 275 S HA 0.871 5.335 4.470 -0.010 0.000 0.277 275 S C -0.633 173.973 174.600 0.010 0.000 1.138 275 S CA -0.269 57.938 58.200 0.011 0.000 0.844 275 S CB 1.934 65.141 63.200 0.011 0.000 1.127 275 S HN 1.819 nan 8.310 nan 0.000 0.474 276 T N 0.425 114.984 114.554 0.009 0.000 3.078 276 T HA 0.657 5.001 4.350 -0.010 0.000 0.328 276 T C -0.077 174.629 174.700 0.009 0.000 0.987 276 T CA 0.027 62.133 62.100 0.009 0.000 1.049 276 T CB -0.084 68.789 68.868 0.008 0.000 1.011 276 T HN 1.253 nan 8.240 nan 0.000 0.463 277 G N 3.717 112.523 108.800 0.009 0.000 2.473 277 G HA2 0.791 4.745 3.960 -0.010 0.000 0.321 277 G HA3 0.791 4.745 3.960 -0.010 0.000 0.321 277 G C -0.551 174.355 174.900 0.010 0.000 1.200 277 G CA -1.110 43.996 45.100 0.009 0.000 0.963 277 G HN 1.049 nan 8.290 nan 0.000 0.483 278 I N -1.896 118.680 120.570 0.010 0.000 2.740 278 I HA 0.863 5.027 4.170 -0.010 0.000 0.303 278 I C -0.569 175.555 176.117 0.012 0.000 1.044 278 I CA -1.023 60.284 61.300 0.011 0.000 1.064 278 I CB 2.728 40.733 38.000 0.010 0.000 1.249 278 I HN 0.438 nan 8.210 nan 0.000 0.433 279 S N 2.597 118.305 115.700 0.012 0.000 2.609 279 S HA 0.426 4.890 4.470 -0.010 0.000 0.250 279 S C -1.514 173.093 174.600 0.012 0.000 1.112 279 S CA -0.565 57.642 58.200 0.012 0.000 1.102 279 S CB 0.545 63.752 63.200 0.011 0.000 1.124 279 S HN 0.746 nan 8.310 nan 0.000 0.460 280 D N 2.376 122.783 120.400 0.011 0.000 2.228 280 D HA 0.781 5.415 4.640 -0.010 0.000 0.247 280 D C -0.396 175.898 176.300 -0.010 0.000 0.995 280 D CA 0.050 54.054 54.000 0.007 0.000 0.903 280 D CB 1.938 42.742 40.800 0.008 0.000 1.205 280 D HN 0.462 nan 8.370 nan 0.000 0.459 281 T N -0.712 113.827 114.554 -0.025 0.000 2.894 281 T HA 0.673 5.017 4.350 -0.010 0.000 0.309 281 T C -0.803 173.821 174.700 -0.128 0.000 1.208 281 T CA -0.855 61.185 62.100 -0.100 0.000 1.016 281 T CB 1.842 70.648 68.868 -0.103 0.000 1.192 281 T HN 0.221 nan 8.240 nan 0.000 0.491 282 S N 0.236 115.767 115.700 -0.281 0.000 2.627 282 S HA 0.834 5.299 4.470 -0.010 0.000 0.283 282 S C -2.174 172.115 174.600 -0.519 0.000 1.127 282 S CA -0.636 57.414 58.200 -0.250 0.000 0.863 282 S CB 1.190 64.316 63.200 -0.125 0.000 1.121 282 S HN 0.623 nan 8.310 nan 0.000 0.479 283 Y N 0.500 120.632 120.300 -0.280 0.000 2.470 283 Y HA 0.619 5.163 4.550 -0.010 0.000 0.341 283 Y C 0.163 175.987 175.900 -0.127 0.000 1.021 283 Y CA -0.493 57.466 58.100 -0.234 0.000 1.025 283 Y CB 2.525 40.799 38.460 -0.310 0.000 1.266 283 Y HN 0.654 nan 8.280 nan 0.000 0.448 284 S N 0.851 116.667 115.700 0.194 0.000 2.634 284 S HA 0.850 5.314 4.470 -0.010 0.000 0.296 284 S C 0.069 174.827 174.600 0.264 0.000 1.104 284 S CA -0.180 58.154 58.200 0.224 0.000 0.920 284 S CB 1.915 65.232 63.200 0.195 0.000 1.111 284 S HN 1.243 nan 8.310 nan 0.000 0.493 285 G N 1.793 110.733 108.800 0.234 0.000 2.527 285 G HA2 -0.151 3.803 3.960 -0.010 0.000 0.227 285 G HA3 -0.151 3.803 3.960 -0.010 0.000 0.227 285 G C -0.082 174.926 174.900 0.180 0.000 1.291 285 G CA -0.265 44.954 45.100 0.198 0.000 0.904 285 G HN 1.451 nan 8.290 nan 0.000 0.577 286 S N -0.616 115.171 115.700 0.144 0.000 2.686 286 S HA 0.682 5.147 4.470 -0.010 0.000 0.270 286 S C 0.880 175.585 174.600 0.174 0.000 1.194 286 S CA 0.858 59.125 58.200 0.111 0.000 0.990 286 S CB 1.684 64.908 63.200 0.041 0.000 1.029 286 S HN 2.069 nan 8.310 nan 0.000 0.560 287 K N -1.073 119.406 120.400 0.130 0.000 3.548 287 K HA -0.221 4.093 4.320 -0.010 0.000 0.310 287 K C 1.153 177.841 176.600 0.146 0.000 1.282 287 K CA 2.105 58.481 56.287 0.148 0.000 1.008 287 K CB -2.308 30.339 32.500 0.244 0.000 1.265 287 K HN 0.940 nan 8.250 nan 0.000 0.430 288 T N -2.929 111.740 114.554 0.191 0.000 3.045 288 T HA 0.197 4.541 4.350 -0.010 0.000 0.239 288 T C 0.776 175.538 174.700 0.104 0.000 1.008 288 T CA -0.141 62.132 62.100 0.289 0.000 1.143 288 T CB -0.018 69.145 68.868 0.492 0.000 0.894 288 T HN 0.155 nan 8.240 nan 0.000 0.451 289 R N 1.527 122.040 120.500 0.022 0.000 2.491 289 R HA 0.467 4.802 4.340 -0.010 0.000 0.283 289 R C 1.069 177.299 176.300 -0.117 0.000 1.072 289 R CA 0.590 56.600 56.100 -0.150 0.000 1.048 289 R CB 0.161 30.430 30.300 -0.051 0.000 0.983 289 R HN 0.593 nan 8.270 nan 0.000 0.450 290 G N 1.334 110.032 108.800 -0.169 0.000 2.295 290 G HA2 -0.274 3.681 3.960 -0.010 0.000 0.287 290 G HA3 -0.274 3.681 3.960 -0.010 0.000 0.287 290 G C 0.090 174.944 174.900 -0.076 0.000 1.055 290 G CA 0.244 45.282 45.100 -0.104 0.000 0.922 290 G HN 0.807 nan 8.290 nan 0.000 0.503 291 A N -0.579 122.183 122.820 -0.097 0.000 2.257 291 A HA 0.969 5.283 4.320 -0.010 0.000 0.289 291 A C 0.723 178.286 177.584 -0.035 0.000 1.095 291 A CA 0.411 52.422 52.037 -0.045 0.000 0.836 291 A CB 1.068 20.058 19.000 -0.016 0.000 1.111 291 A HN 2.119 nan 8.150 nan 0.000 0.497 292 A N 0.073 122.882 122.820 -0.019 0.000 2.260 292 A HA 0.658 4.972 4.320 -0.010 0.000 0.314 292 A C 0.997 178.574 177.584 -0.012 0.000 1.257 292 A CA 0.473 52.500 52.037 -0.015 0.000 0.871 292 A CB -0.568 18.425 19.000 -0.012 0.000 1.166 292 A HN 2.817 nan 8.150 nan 0.000 0.522 293 G N 1.874 110.669 108.800 -0.008 0.000 2.547 293 G HA2 -0.184 3.770 3.960 -0.010 0.000 0.271 293 G HA3 -0.184 3.770 3.960 -0.010 0.000 0.271 293 G C 0.169 175.070 174.900 0.001 0.000 1.209 293 G CA 0.189 45.287 45.100 -0.004 0.000 0.959 293 G HN 1.417 nan 8.290 nan 0.000 0.563 294 T N 1.204 115.754 114.554 -0.007 0.000 2.875 294 T HA 0.592 4.937 4.350 -0.010 0.000 0.307 294 T C 0.733 175.403 174.700 -0.049 0.000 1.013 294 T CA 0.986 63.079 62.100 -0.011 0.000 0.970 294 T CB 1.373 70.237 68.868 -0.006 0.000 0.986 294 T HN 0.780 nan 8.240 nan 0.000 0.536 295 Q N 1.869 121.622 119.800 -0.079 0.000 2.305 295 Q HA 0.061 4.395 4.340 -0.010 0.000 0.176 295 Q C 0.923 176.680 176.000 -0.406 0.000 0.708 295 Q CA -0.234 55.437 55.803 -0.219 0.000 0.888 295 Q CB -0.148 28.488 28.738 -0.170 0.000 1.240 295 Q HN 0.626 nan 8.270 nan 0.000 0.392 296 Y N 2.288 122.417 120.300 -0.286 0.000 2.352 296 Y HA 0.011 4.556 4.550 -0.009 0.000 0.292 296 Y C -0.063 175.821 175.900 -0.027 0.000 1.136 296 Y CA 1.151 59.142 58.100 -0.181 0.000 1.227 296 Y CB 0.309 38.743 38.460 -0.042 0.000 0.991 296 Y HN 0.065 nan 8.280 nan 0.000 0.545 297 D N 2.910 123.359 120.400 0.082 0.000 2.661 297 D HA -0.121 4.514 4.640 -0.010 0.000 0.244 297 D C -0.715 175.637 176.300 0.087 0.000 1.196 297 D CA 0.772 54.828 54.000 0.094 0.000 0.881 297 D CB 0.165 41.000 40.800 0.059 0.000 1.141 297 D HN 0.335 nan 8.370 nan 0.000 0.530 298 D N 1.283 121.727 120.400 0.074 0.000 2.368 298 D HA -0.031 4.603 4.640 -0.010 0.000 0.268 298 D C 0.115 176.455 176.300 0.067 0.000 1.298 298 D CA 0.430 54.467 54.000 0.062 0.000 0.938 298 D CB 0.364 41.181 40.800 0.028 0.000 1.101 298 D HN -0.038 nan 8.370 nan 0.000 0.509 299 S N 2.718 118.468 115.700 0.083 0.000 2.411 299 S HA 0.268 4.732 4.470 -0.010 0.000 0.294 299 S C -0.422 174.201 174.600 0.039 0.000 1.115 299 S CA -0.800 57.438 58.200 0.063 0.000 1.071 299 S CB -0.069 63.179 63.200 0.080 0.000 0.967 299 S HN 0.230 nan 8.310 nan 0.000 0.488 300 N N 4.778 123.496 118.700 0.030 0.000 2.696 300 N HA 0.478 5.212 4.740 -0.010 0.000 0.246 300 N C -0.484 175.037 175.510 0.019 0.000 1.057 300 N CA -0.329 52.734 53.050 0.021 0.000 0.867 300 N CB 1.030 39.529 38.487 0.018 0.000 1.141 300 N HN 0.673 nan 8.380 nan 0.000 0.517 301 M N -0.868 118.743 119.600 0.018 0.000 2.719 301 M HA 0.869 5.343 4.480 -0.010 0.000 0.291 301 M C -0.097 176.211 176.300 0.013 0.000 1.264 301 M CA -1.068 54.242 55.300 0.016 0.000 0.811 301 M CB 1.730 34.340 32.600 0.018 0.000 1.756 301 M HN 0.207 nan 8.290 nan 0.000 0.464 302 G N -0.172 108.636 108.800 0.012 0.000 3.022 302 G HA2 0.716 4.670 3.960 -0.010 0.000 0.284 302 G HA3 0.716 4.670 3.960 -0.010 0.000 0.284 302 G C -2.152 172.754 174.900 0.011 0.000 1.375 302 G CA -0.350 44.756 45.100 0.011 0.000 0.902 302 G HN 0.683 nan 8.290 nan 0.000 0.538 303 Q N -1.507 118.299 119.800 0.010 0.000 2.472 303 Q HA 0.560 4.894 4.340 -0.010 0.000 0.281 303 Q C -1.863 174.143 176.000 0.010 0.000 0.997 303 Q CA -0.653 55.156 55.803 0.010 0.000 0.828 303 Q CB 2.213 30.957 28.738 0.010 0.000 1.443 303 Q HN 0.439 nan 8.270 nan 0.000 0.390 304 N N 1.316 120.022 118.700 0.010 0.000 2.581 304 N HA 0.388 5.123 4.740 -0.010 0.000 0.279 304 N C -1.876 173.641 175.510 0.011 0.000 1.124 304 N CA -0.450 52.606 53.050 0.010 0.000 0.833 304 N CB 1.172 39.665 38.487 0.009 0.000 1.338 304 N HN 0.347 nan 8.380 nan 0.000 0.533 305 K N 0.675 121.082 120.400 0.012 0.000 2.203 305 K HA 0.762 5.076 4.320 -0.010 0.000 0.251 305 K C -0.930 175.679 176.600 0.014 0.000 0.944 305 K CA -0.880 55.415 56.287 0.013 0.000 0.829 305 K CB 2.424 34.932 32.500 0.013 0.000 1.125 305 K HN 0.030 nan 8.250 nan 0.000 0.430 306 V N 1.191 121.114 119.914 0.016 0.000 2.686 306 V HA 0.668 4.783 4.120 -0.010 0.000 0.306 306 V C -0.316 175.791 176.094 0.021 0.000 1.065 306 V CA -0.714 61.597 62.300 0.019 0.000 0.894 306 V CB 2.009 33.843 31.823 0.018 0.000 1.004 306 V HN 0.978 nan 8.190 nan 0.000 0.424 307 G N 3.567 112.383 108.800 0.026 0.000 2.690 307 G HA2 0.778 4.732 3.960 -0.010 0.000 0.291 307 G HA3 0.778 4.732 3.960 -0.010 0.000 0.291 307 G C -1.937 172.987 174.900 0.040 0.000 1.403 307 G CA -0.652 44.467 45.100 0.031 0.000 0.864 307 G HN 0.573 nan 8.290 nan 0.000 0.480 308 L N 0.998 122.250 121.223 0.048 0.000 2.381 308 L HA 0.606 4.940 4.340 -0.010 0.000 0.274 308 L C -0.136 176.786 176.870 0.087 0.000 0.988 308 L CA -0.822 54.059 54.840 0.068 0.000 0.824 308 L CB 2.185 44.285 42.059 0.068 0.000 1.263 308 L HN 0.524 nan 8.230 nan 0.000 0.410 309 S N 2.752 118.513 115.700 0.103 0.000 2.472 309 S HA 0.692 5.156 4.470 -0.010 0.000 0.303 309 S C -1.209 173.501 174.600 0.184 0.000 1.099 309 S CA -0.378 57.893 58.200 0.119 0.000 1.077 309 S CB 0.982 64.226 63.200 0.073 0.000 1.031 309 S HN 0.373 nan 8.310 nan 0.000 0.487 310 F N 3.615 123.586 119.950 0.034 0.000 2.539 310 F HA 0.687 5.208 4.527 -0.010 0.000 0.318 310 F C -0.476 175.347 175.800 0.038 0.000 1.135 310 F CA -0.278 57.748 58.000 0.043 0.000 0.915 310 F CB 1.844 40.868 39.000 0.040 0.000 1.176 310 F HN 0.472 nan 8.300 nan 0.000 0.440 311 S N 7.048 122.406 115.700 -0.570 0.000 2.557 311 S HA 0.746 5.210 4.470 -0.010 0.000 0.291 311 S C -2.147 172.115 174.600 -0.563 0.000 1.116 311 S CA -0.667 57.304 58.200 -0.381 0.000 0.992 311 S CB 1.223 64.315 63.200 -0.181 0.000 1.028 311 S HN 0.736 nan 8.310 nan 0.000 0.484 312 L N 6.236 127.294 121.223 -0.276 0.000 2.476 312 L HA 0.649 4.983 4.340 -0.010 0.000 0.269 312 L C -2.754 174.105 176.870 -0.018 0.000 0.965 312 L CA -1.589 53.167 54.840 -0.139 0.000 0.845 312 L CB 1.699 43.768 42.059 0.016 0.000 1.259 312 L HN 0.513 nan 8.230 nan 0.000 0.403 313 P HA 0.362 nan 4.420 nan 0.000 0.287 313 P C 0.772 178.110 177.300 0.064 0.000 1.281 313 P CA -0.616 62.490 63.100 0.010 0.000 0.781 313 P CB 1.482 33.166 31.700 -0.028 0.000 0.903 314 I N 1.419 122.041 120.570 0.086 0.000 2.260 314 I HA 0.012 4.176 4.170 -0.010 0.000 0.237 314 I C 0.450 176.687 176.117 0.200 0.000 1.075 314 I CA 1.277 62.656 61.300 0.131 0.000 1.376 314 I CB -0.693 37.382 38.000 0.124 0.000 1.107 314 I HN 0.375 nan 8.210 nan 0.000 0.420 315 Y N 2.095 122.415 120.300 0.034 0.000 2.442 315 Y HA 0.407 4.951 4.550 -0.009 0.000 0.330 315 Y C -1.315 174.594 175.900 0.015 0.000 1.100 315 Y CA -1.055 57.063 58.100 0.031 0.000 1.034 315 Y CB 1.105 39.583 38.460 0.029 0.000 1.285 315 Y HN 0.223 nan 8.280 nan 0.000 0.440 316 Q N 4.659 124.021 119.800 -0.730 0.000 3.021 316 Q HA 0.460 4.794 4.340 -0.010 0.000 0.234 316 Q C 0.502 176.101 176.000 -0.667 0.000 0.930 316 Q CA -0.615 54.838 55.803 -0.583 0.000 0.714 316 Q CB 1.251 29.832 28.738 -0.262 0.000 1.325 316 Q HN 1.259 nan 8.270 nan 0.000 0.473 317 G N 1.539 109.836 108.800 -0.838 0.000 2.219 317 G HA2 -0.329 3.626 3.960 -0.010 0.000 0.271 317 G HA3 -0.329 3.626 3.960 -0.010 0.000 0.271 317 G C 0.937 175.694 174.900 -0.238 0.000 0.991 317 G CA 0.634 45.512 45.100 -0.370 0.000 0.685 317 G HN 1.874 nan 8.290 nan 0.000 0.531 318 G N -1.036 107.556 108.800 -0.347 0.000 2.160 318 G HA2 -0.299 3.655 3.960 -0.010 0.000 0.251 318 G HA3 -0.299 3.655 3.960 -0.010 0.000 0.251 318 G C 0.969 175.820 174.900 -0.081 0.000 1.008 318 G CA 1.430 46.476 45.100 -0.089 0.000 0.724 318 G HN 1.277 nan 8.290 nan 0.000 0.514 319 M N -0.261 119.254 119.600 -0.143 0.000 2.091 319 M HA -0.081 4.393 4.480 -0.010 0.000 0.259 319 M C 2.495 178.736 176.300 -0.097 0.000 1.076 319 M CA 2.676 57.911 55.300 -0.108 0.000 1.111 319 M CB -0.297 32.225 32.600 -0.130 0.000 1.291 319 M HN 0.212 nan 8.290 nan 0.000 0.417 320 V N 1.706 121.530 119.914 -0.150 0.000 2.688 320 V HA -0.264 3.850 4.120 -0.010 0.000 0.256 320 V C 2.030 178.064 176.094 -0.099 0.000 1.084 320 V CA 1.613 63.794 62.300 -0.200 0.000 1.103 320 V CB -1.437 30.126 31.823 -0.433 0.000 0.688 320 V HN 0.525 nan 8.190 nan 0.000 0.480 321 N N 0.207 118.900 118.700 -0.011 0.000 2.028 321 N HA -0.166 4.568 4.740 -0.010 0.000 0.194 321 N C 2.225 177.754 175.510 0.032 0.000 1.050 321 N CA 1.902 54.991 53.050 0.064 0.000 0.848 321 N CB -0.818 37.715 38.487 0.077 0.000 1.038 321 N HN 0.369 nan 8.380 nan 0.000 0.423 322 S N 1.008 116.719 115.700 0.018 0.000 2.381 322 S HA -0.224 4.240 4.470 -0.010 0.000 0.230 322 S C 1.789 176.406 174.600 0.027 0.000 1.052 322 S CA 1.530 59.746 58.200 0.028 0.000 1.068 322 S CB -0.236 62.974 63.200 0.016 0.000 0.918 322 S HN 0.400 nan 8.310 nan 0.000 0.448 323 Q N -0.300 119.500 119.800 0.001 0.000 2.170 323 Q HA -0.081 4.253 4.340 -0.010 0.000 0.203 323 Q C 2.245 178.250 176.000 0.007 0.000 0.976 323 Q CA 1.550 57.352 55.803 -0.002 0.000 0.858 323 Q CB -0.273 28.445 28.738 -0.033 0.000 0.907 323 Q HN 0.463 nan 8.270 nan 0.000 0.433 324 V N 1.467 121.385 119.914 0.007 0.000 2.244 324 V HA -0.249 3.865 4.120 -0.010 0.000 0.244 324 V C 2.104 178.188 176.094 -0.017 0.000 1.042 324 V CA 1.777 64.079 62.300 0.003 0.000 1.006 324 V CB -0.460 31.378 31.823 0.026 0.000 0.641 324 V HN 0.299 nan 8.190 nan 0.000 0.446 325 K N -0.271 120.116 120.400 -0.022 0.000 2.074 325 K HA -0.279 4.035 4.320 -0.010 0.000 0.209 325 K C 2.252 178.843 176.600 -0.016 0.000 1.048 325 K CA 1.842 58.075 56.287 -0.090 0.000 0.926 325 K CB -0.290 32.184 32.500 -0.043 0.000 0.713 325 K HN 0.529 nan 8.250 nan 0.000 0.444 326 Q N 0.157 120.019 119.800 0.103 0.000 2.077 326 Q HA -0.178 4.157 4.340 -0.010 0.000 0.206 326 Q C 2.214 178.296 176.000 0.136 0.000 0.989 326 Q CA 1.756 57.660 55.803 0.169 0.000 0.853 326 Q CB -0.242 28.557 28.738 0.102 0.000 0.907 326 Q HN 0.398 nan 8.270 nan 0.000 0.418 327 A N 0.503 123.365 122.820 0.070 0.000 2.015 327 A HA -0.224 4.090 4.320 -0.010 0.000 0.219 327 A C 1.882 179.516 177.584 0.083 0.000 1.163 327 A CA 1.285 53.361 52.037 0.066 0.000 0.646 327 A CB -0.302 18.713 19.000 0.025 0.000 0.806 327 A HN 0.359 nan 8.150 nan 0.000 0.448 328 Q N -1.610 118.202 119.800 0.020 0.000 2.020 328 Q HA -0.155 4.179 4.340 -0.010 0.000 0.198 328 Q C 1.907 177.959 176.000 0.087 0.000 0.974 328 Q CA 1.635 57.435 55.803 -0.004 0.000 0.829 328 Q CB -0.335 28.302 28.738 -0.168 0.000 0.894 328 Q HN 0.761 nan 8.270 nan 0.000 0.433 329 Y N 0.942 121.301 120.300 0.097 0.000 2.114 329 Y HA -0.266 4.278 4.550 -0.010 0.000 0.282 329 Y C 2.103 178.049 175.900 0.076 0.000 1.165 329 Y CA 1.497 59.642 58.100 0.076 0.000 1.148 329 Y CB -0.748 37.740 38.460 0.046 0.000 0.972 329 Y HN 0.223 nan 8.280 nan 0.000 0.504 330 N N -0.585 118.263 118.700 0.247 0.000 2.272 330 N HA -0.233 4.502 4.740 -0.010 0.000 0.185 330 N C 1.671 177.282 175.510 0.169 0.000 1.014 330 N CA 1.003 54.151 53.050 0.163 0.000 0.870 330 N CB -0.414 38.151 38.487 0.130 0.000 0.975 330 N HN 0.252 nan 8.380 nan 0.000 0.433 331 F N 0.198 120.176 119.950 0.048 0.000 2.128 331 F HA -0.014 4.507 4.527 -0.010 0.000 0.295 331 F C 1.986 177.808 175.800 0.035 0.000 1.100 331 F CA 0.796 58.812 58.000 0.028 0.000 1.260 331 F CB -0.587 38.417 39.000 0.007 0.000 1.009 331 F HN -0.134 nan 8.300 nan 0.000 0.476 332 V N 0.880 120.817 119.914 0.040 0.000 2.317 332 V HA -0.322 3.793 4.120 -0.010 0.000 0.251 332 V C 2.720 178.763 176.094 -0.085 0.000 1.065 332 V CA 1.995 64.268 62.300 -0.044 0.000 1.049 332 V CB -1.833 30.058 31.823 0.114 0.000 0.651 332 V HN 0.566 nan 8.190 nan 0.000 0.450 333 G N -0.237 108.556 108.800 -0.013 0.000 2.552 333 G HA2 -0.260 3.694 3.960 -0.010 0.000 0.216 333 G HA3 -0.260 3.694 3.960 -0.010 0.000 0.216 333 G C 1.772 176.627 174.900 -0.074 0.000 1.240 333 G CA 1.247 46.333 45.100 -0.022 0.000 0.796 333 G HN 0.660 nan 8.290 nan 0.000 0.568 334 A N 0.189 122.960 122.820 -0.083 0.000 2.032 334 A HA -0.032 4.282 4.320 -0.010 0.000 0.221 334 A C 2.676 180.152 177.584 -0.181 0.000 1.165 334 A CA 2.389 54.367 52.037 -0.098 0.000 0.645 334 A CB -0.528 18.440 19.000 -0.053 0.000 0.807 334 A HN 0.348 nan 8.150 nan 0.000 0.453 335 S N -0.294 115.214 115.700 -0.320 0.000 2.338 335 S HA -0.126 4.338 4.470 -0.010 0.000 0.218 335 S C 1.875 176.375 174.600 -0.166 0.000 1.032 335 S CA 1.276 59.277 58.200 -0.332 0.000 0.999 335 S CB -0.306 62.607 63.200 -0.478 0.000 0.905 335 S HN 0.658 nan 8.310 nan 0.000 0.439 336 E N 1.083 121.210 120.200 -0.122 0.000 2.153 336 E HA -0.191 4.153 4.350 -0.010 0.000 0.194 336 E C 2.084 178.659 176.600 -0.043 0.000 0.988 336 E CA 0.754 57.116 56.400 -0.063 0.000 0.811 336 E CB -0.272 29.403 29.700 -0.042 0.000 0.746 336 E HN 0.540 nan 8.360 nan 0.000 0.466 337 Q N 0.349 120.120 119.800 -0.049 0.000 2.224 337 Q HA -0.123 4.211 4.340 -0.010 0.000 0.203 337 Q C 2.182 178.172 176.000 -0.018 0.000 0.970 337 Q CA 0.627 56.413 55.803 -0.028 0.000 0.865 337 Q CB -0.009 28.713 28.738 -0.028 0.000 0.922 337 Q HN 0.166 nan 8.270 nan 0.000 0.445 338 L N 0.323 121.526 121.223 -0.033 0.000 2.072 338 L HA -0.124 4.210 4.340 -0.010 0.000 0.205 338 L C 2.057 178.939 176.870 0.020 0.000 1.079 338 L CA 1.818 56.650 54.840 -0.013 0.000 0.752 338 L CB -0.339 41.694 42.059 -0.044 0.000 0.906 338 L HN 0.135 nan 8.230 nan 0.000 0.436 339 E N -0.336 119.865 120.200 0.001 0.000 2.085 339 E HA -0.201 4.144 4.350 -0.010 0.000 0.194 339 E C 2.174 178.806 176.600 0.054 0.000 0.994 339 E CA 1.841 58.260 56.400 0.032 0.000 0.801 339 E CB -0.381 29.320 29.700 0.003 0.000 0.743 339 E HN 0.541 nan 8.360 nan 0.000 0.453 340 S N -0.200 115.515 115.700 0.025 0.000 2.370 340 S HA -0.167 4.297 4.470 -0.010 0.000 0.226 340 S C 1.984 176.600 174.600 0.026 0.000 1.033 340 S CA 1.169 59.380 58.200 0.020 0.000 1.011 340 S CB -0.512 62.692 63.200 0.007 0.000 0.852 340 S HN 0.522 nan 8.310 nan 0.000 0.457 341 A N 0.890 123.731 122.820 0.034 0.000 1.930 341 A HA -0.153 4.162 4.320 -0.010 0.000 0.217 341 A C 1.964 179.582 177.584 0.057 0.000 1.175 341 A CA 1.442 53.501 52.037 0.036 0.000 0.627 341 A CB -0.834 18.187 19.000 0.035 0.000 0.815 341 A HN 0.681 nan 8.150 nan 0.000 0.443 342 H N -0.310 118.753 119.070 -0.012 0.000 2.333 342 H HA 0.014 4.564 4.556 -0.010 0.000 0.302 342 H C 2.250 177.573 175.328 -0.008 0.000 1.075 342 H CA 1.415 57.457 56.048 -0.010 0.000 1.348 342 H CB -0.036 29.718 29.762 -0.013 0.000 1.393 342 H HN 0.413 nan 8.280 nan 0.000 0.509 343 R N 0.132 120.620 120.500 -0.021 0.000 2.127 343 R HA -0.119 4.215 4.340 -0.010 0.000 0.238 343 R C 2.731 178.985 176.300 -0.076 0.000 1.134 343 R CA 1.205 57.268 56.100 -0.061 0.000 0.975 343 R CB -0.187 30.116 30.300 0.005 0.000 0.865 343 R HN 0.192 nan 8.270 nan 0.000 0.447 344 S N 0.216 115.885 115.700 -0.050 0.000 2.348 344 S HA -0.110 4.354 4.470 -0.010 0.000 0.221 344 S C 2.035 176.597 174.600 -0.064 0.000 1.033 344 S CA 1.470 59.646 58.200 -0.041 0.000 1.010 344 S CB -0.117 63.072 63.200 -0.019 0.000 0.891 344 S HN 0.126 nan 8.310 nan 0.000 0.442 345 V N 1.788 121.648 119.914 -0.090 0.000 2.287 345 V HA -0.133 3.981 4.120 -0.010 0.000 0.248 345 V C 2.508 178.518 176.094 -0.140 0.000 1.053 345 V CA 1.761 64.000 62.300 -0.102 0.000 1.027 345 V CB -1.064 30.698 31.823 -0.102 0.000 0.646 345 V HN 0.423 nan 8.190 nan 0.000 0.447 346 V N 1.177 120.949 119.914 -0.236 0.000 2.313 346 V HA -0.375 3.740 4.120 -0.010 0.000 0.253 346 V C 2.591 178.624 176.094 -0.101 0.000 1.070 346 V CA 2.790 64.964 62.300 -0.211 0.000 1.057 346 V CB -0.776 30.901 31.823 -0.244 0.000 0.653 346 V HN 0.864 nan 8.190 nan 0.000 0.450 347 Q N -1.052 118.704 119.800 -0.072 0.000 2.376 347 Q HA -0.039 4.295 4.340 -0.010 0.000 0.206 347 Q C 1.754 177.746 176.000 -0.012 0.000 0.921 347 Q CA 1.629 57.415 55.803 -0.029 0.000 0.911 347 Q CB -0.598 28.128 28.738 -0.020 0.000 1.032 347 Q HN 0.484 nan 8.270 nan 0.000 0.510 348 T N 0.952 115.492 114.554 -0.023 0.000 2.821 348 T HA -0.120 4.224 4.350 -0.010 0.000 0.267 348 T C 1.841 176.546 174.700 0.007 0.000 1.046 348 T CA 1.731 63.826 62.100 -0.008 0.000 1.139 348 T CB -0.394 68.464 68.868 -0.016 0.000 0.871 348 T HN 0.356 nan 8.240 nan 0.000 0.454 349 V N 0.847 120.757 119.914 -0.007 0.000 2.323 349 V HA -0.078 4.036 4.120 -0.010 0.000 0.244 349 V C 2.403 178.538 176.094 0.067 0.000 1.041 349 V CA 1.091 63.395 62.300 0.006 0.000 1.025 349 V CB -0.843 30.953 31.823 -0.046 0.000 0.656 349 V HN 0.268 nan 8.190 nan 0.000 0.451 350 R N 1.028 121.560 120.500 0.052 0.000 2.080 350 R HA -0.111 4.223 4.340 -0.010 0.000 0.236 350 R C 2.713 179.113 176.300 0.167 0.000 1.137 350 R CA 2.003 58.182 56.100 0.132 0.000 0.943 350 R CB -0.872 29.471 30.300 0.071 0.000 0.846 350 R HN 0.590 nan 8.270 nan 0.000 0.431 351 S N 0.946 116.698 115.700 0.087 0.000 2.359 351 S HA -0.174 4.290 4.470 -0.010 0.000 0.223 351 S C 2.154 176.792 174.600 0.064 0.000 1.039 351 S CA 1.958 60.195 58.200 0.061 0.000 1.042 351 S CB -0.316 62.904 63.200 0.033 0.000 0.915 351 S HN 0.522 nan 8.310 nan 0.000 0.439 352 S N 1.041 116.784 115.700 0.070 0.000 2.453 352 S HA -0.024 4.440 4.470 -0.010 0.000 0.231 352 S C 1.596 176.254 174.600 0.097 0.000 1.005 352 S CA 0.651 58.886 58.200 0.060 0.000 0.949 352 S CB -0.626 62.599 63.200 0.041 0.000 0.774 352 S HN 0.481 nan 8.310 nan 0.000 0.510 353 F N 3.737 123.682 119.950 -0.009 0.000 2.186 353 F HA 0.059 4.580 4.527 -0.010 0.000 0.299 353 F C 1.815 177.620 175.800 0.009 0.000 1.090 353 F CA 1.248 59.246 58.000 -0.002 0.000 1.307 353 F CB -0.597 38.400 39.000 -0.005 0.000 1.019 353 F HN 0.100 nan 8.300 nan 0.000 0.489 354 N N 0.879 119.515 118.700 -0.107 0.000 2.244 354 N HA -0.164 4.571 4.740 -0.010 0.000 0.183 354 N C 1.315 176.746 175.510 -0.131 0.000 1.016 354 N CA 1.261 54.202 53.050 -0.182 0.000 0.866 354 N CB -0.707 37.754 38.487 -0.043 0.000 0.980 354 N HN 0.329 nan 8.380 nan 0.000 0.430 355 N N 0.838 119.504 118.700 -0.057 0.000 2.331 355 N HA -0.005 4.730 4.740 -0.010 0.000 0.180 355 N C 1.676 177.176 175.510 -0.017 0.000 1.019 355 N CA 0.232 53.268 53.050 -0.023 0.000 0.881 355 N CB 0.026 38.515 38.487 0.003 0.000 0.972 355 N HN 0.315 nan 8.380 nan 0.000 0.435 356 I N -0.013 120.532 120.570 -0.042 0.000 2.852 356 I HA -0.039 4.125 4.170 -0.010 0.000 0.264 356 I C 1.326 177.443 176.117 -0.001 0.000 1.179 356 I CA 0.509 61.816 61.300 0.011 0.000 1.480 356 I CB 0.144 38.142 38.000 -0.003 0.000 1.111 356 I HN -0.005 nan 8.210 nan 0.000 0.441 357 N N 1.594 120.193 118.700 -0.168 0.000 2.062 357 N HA -0.114 4.620 4.740 -0.010 0.000 0.191 357 N C 1.922 177.377 175.510 -0.092 0.000 1.042 357 N CA 1.777 54.715 53.050 -0.187 0.000 0.845 357 N CB -0.489 37.775 38.487 -0.371 0.000 1.024 357 N HN 0.405 nan 8.380 nan 0.000 0.424 358 A N 0.202 122.970 122.820 -0.087 0.000 1.978 358 A HA -0.107 4.207 4.320 -0.010 0.000 0.220 358 A C 2.458 180.037 177.584 -0.008 0.000 1.170 358 A CA 1.739 53.747 52.037 -0.049 0.000 0.636 358 A CB -0.748 18.229 19.000 -0.039 0.000 0.810 358 A HN 0.289 nan 8.150 nan 0.000 0.448 359 S N -0.784 114.936 115.700 0.033 0.000 2.423 359 S HA -0.060 4.404 4.470 -0.010 0.000 0.231 359 S C 1.796 176.431 174.600 0.059 0.000 1.014 359 S CA 0.954 59.208 58.200 0.090 0.000 0.965 359 S CB -0.393 62.916 63.200 0.182 0.000 0.785 359 S HN 0.417 nan 8.310 nan 0.000 0.495 360 I N 1.362 121.949 120.570 0.029 0.000 2.133 360 I HA -0.057 4.107 4.170 -0.010 0.000 0.238 360 I C 2.413 178.499 176.117 -0.052 0.000 1.074 360 I CA 1.258 62.537 61.300 -0.035 0.000 1.342 360 I CB -1.709 36.275 38.000 -0.028 0.000 1.053 360 I HN 0.200 nan 8.210 nan 0.000 0.404 361 S N 0.387 116.055 115.700 -0.053 0.000 2.400 361 S HA -0.178 4.286 4.470 -0.010 0.000 0.232 361 S C 2.237 176.781 174.600 -0.093 0.000 1.025 361 S CA 1.563 59.719 58.200 -0.072 0.000 0.993 361 S CB -0.331 62.824 63.200 -0.075 0.000 0.808 361 S HN 0.407 nan 8.310 nan 0.000 0.478 362 S N 1.204 116.864 115.700 -0.067 0.000 2.356 362 S HA 0.021 4.485 4.470 -0.010 0.000 0.223 362 S C 1.754 176.348 174.600 -0.011 0.000 1.032 362 S CA 0.905 59.066 58.200 -0.065 0.000 1.005 362 S CB -0.361 62.875 63.200 0.061 0.000 0.867 362 S HN 0.459 nan 8.310 nan 0.000 0.449 363 I N 1.850 122.421 120.570 0.001 0.000 2.286 363 I HA -0.146 4.018 4.170 -0.010 0.000 0.248 363 I C 1.541 177.629 176.117 -0.047 0.000 1.115 363 I CA 0.906 62.192 61.300 -0.022 0.000 1.392 363 I CB -0.435 37.491 38.000 -0.124 0.000 1.065 363 I HN 0.285 nan 8.210 nan 0.000 0.418 364 N N 0.837 119.495 118.700 -0.070 0.000 2.521 364 N HA 0.006 4.740 4.740 -0.010 0.000 0.188 364 N C 1.377 176.837 175.510 -0.083 0.000 1.146 364 N CA 0.935 53.943 53.050 -0.071 0.000 0.893 364 N CB 0.358 38.805 38.487 -0.068 0.000 0.975 364 N HN 0.366 nan 8.380 nan 0.000 0.451 365 A N -0.814 121.933 122.820 -0.121 0.000 1.999 365 A HA 0.125 4.439 4.320 -0.010 0.000 0.200 365 A C 1.460 178.950 177.584 -0.155 0.000 1.363 365 A CA 0.037 51.964 52.037 -0.183 0.000 0.844 365 A CB -0.282 18.533 19.000 -0.307 0.000 0.954 365 A HN 0.083 nan 8.150 nan 0.000 0.481 366 Y N 1.221 121.493 120.300 -0.047 0.000 2.314 366 Y HA -0.023 4.521 4.550 -0.010 0.000 0.293 366 Y C 2.213 178.080 175.900 -0.055 0.000 1.129 366 Y CA 1.288 59.361 58.100 -0.045 0.000 1.201 366 Y CB -0.147 38.291 38.460 -0.037 0.000 0.999 366 Y HN 0.256 nan 8.280 nan 0.000 0.541 367 K N -0.361 120.084 120.400 0.074 0.000 2.057 367 K HA -0.235 4.079 4.320 -0.010 0.000 0.206 367 K C 2.090 178.687 176.600 -0.005 0.000 1.050 367 K CA 1.447 57.740 56.287 0.009 0.000 0.935 367 K CB -0.158 32.324 32.500 -0.029 0.000 0.715 367 K HN 0.158 nan 8.250 nan 0.000 0.439 368 Q N 0.899 120.691 119.800 -0.013 0.000 2.170 368 Q HA -0.106 4.228 4.340 -0.010 0.000 0.203 368 Q C 1.663 177.655 176.000 -0.013 0.000 0.976 368 Q CA 1.780 57.569 55.803 -0.023 0.000 0.858 368 Q CB -0.097 28.617 28.738 -0.039 0.000 0.907 368 Q HN 0.319 nan 8.270 nan 0.000 0.433 369 A N -1.091 121.736 122.820 0.012 0.000 2.123 369 A HA 0.061 4.375 4.320 -0.010 0.000 0.214 369 A C 2.028 179.619 177.584 0.012 0.000 1.152 369 A CA 0.803 52.856 52.037 0.027 0.000 0.728 369 A CB -0.105 18.948 19.000 0.088 0.000 0.814 369 A HN 0.250 nan 8.150 nan 0.000 0.464 370 V N -0.929 118.985 119.914 0.001 0.000 2.379 370 V HA -0.170 3.945 4.120 -0.010 0.000 0.245 370 V C 2.436 178.494 176.094 -0.060 0.000 1.044 370 V CA 1.841 64.114 62.300 -0.045 0.000 1.036 370 V CB -0.548 31.243 31.823 -0.053 0.000 0.664 370 V HN 0.377 nan 8.190 nan 0.000 0.453 371 V N -0.251 119.637 119.914 -0.043 0.000 2.453 371 V HA -0.182 3.932 4.120 -0.010 0.000 0.247 371 V C 2.511 178.582 176.094 -0.039 0.000 1.048 371 V CA 2.453 64.727 62.300 -0.043 0.000 1.049 371 V CB 0.157 31.959 31.823 -0.034 0.000 0.672 371 V HN 0.630 nan 8.190 nan 0.000 0.457 372 S N 0.546 116.227 115.700 -0.031 0.000 2.383 372 S HA -0.074 4.391 4.470 -0.010 0.000 0.227 372 S C 2.092 176.673 174.600 -0.031 0.000 1.026 372 S CA 1.357 59.542 58.200 -0.026 0.000 0.981 372 S CB -0.460 62.728 63.200 -0.019 0.000 0.818 372 S HN 0.781 nan 8.310 nan 0.000 0.472 373 A N 0.942 123.739 122.820 -0.038 0.000 2.014 373 A HA -0.064 4.251 4.320 -0.010 0.000 0.218 373 A C 2.087 179.628 177.584 -0.071 0.000 1.163 373 A CA 1.427 53.433 52.037 -0.051 0.000 0.652 373 A CB -0.493 18.471 19.000 -0.060 0.000 0.808 373 A HN 0.395 nan 8.150 nan 0.000 0.449 374 Q N 1.033 120.786 119.800 -0.077 0.000 1.994 374 Q HA -0.128 4.206 4.340 -0.010 0.000 0.198 374 Q C 2.291 178.257 176.000 -0.057 0.000 0.976 374 Q CA 2.705 58.457 55.803 -0.085 0.000 0.828 374 Q CB -0.562 28.124 28.738 -0.086 0.000 0.894 374 Q HN 0.666 nan 8.270 nan 0.000 0.432 375 S N -0.937 114.738 115.700 -0.042 0.000 2.383 375 S HA -0.148 4.316 4.470 -0.010 0.000 0.229 375 S C 2.197 176.783 174.600 -0.024 0.000 1.030 375 S CA 1.376 59.559 58.200 -0.029 0.000 1.002 375 S CB -0.785 62.401 63.200 -0.023 0.000 0.829 375 S HN 0.321 nan 8.310 nan 0.000 0.467 376 S N 1.041 116.725 115.700 -0.027 0.000 2.402 376 S HA 0.037 4.501 4.470 -0.010 0.000 0.229 376 S C 1.672 176.259 174.600 -0.022 0.000 1.021 376 S CA 0.949 59.137 58.200 -0.021 0.000 0.974 376 S CB -0.581 62.606 63.200 -0.022 0.000 0.800 376 S HN 0.512 nan 8.310 nan 0.000 0.484 377 L N 2.491 123.693 121.223 -0.036 0.000 1.988 377 L HA -0.089 4.245 4.340 -0.010 0.000 0.207 377 L C 1.916 178.774 176.870 -0.020 0.000 1.071 377 L CA 2.813 57.630 54.840 -0.038 0.000 0.744 377 L CB -1.092 40.927 42.059 -0.066 0.000 0.893 377 L HN 0.423 nan 8.230 nan 0.000 0.433 378 D N -0.081 120.307 120.400 -0.020 0.000 2.149 378 D HA -0.202 4.432 4.640 -0.010 0.000 0.198 378 D C 1.916 178.222 176.300 0.011 0.000 0.990 378 D CA 1.391 55.389 54.000 -0.004 0.000 0.839 378 D CB -0.638 40.157 40.800 -0.009 0.000 0.948 378 D HN 0.418 nan 8.370 nan 0.000 0.460 379 A N 0.037 122.860 122.820 0.006 0.000 2.015 379 A HA -0.051 4.263 4.320 -0.010 0.000 0.219 379 A C 2.213 179.813 177.584 0.027 0.000 1.163 379 A CA 1.243 53.288 52.037 0.014 0.000 0.646 379 A CB -0.477 18.527 19.000 0.006 0.000 0.806 379 A HN 0.154 nan 8.150 nan 0.000 0.448 380 M N -0.528 119.086 119.600 0.023 0.000 2.254 380 M HA -0.049 4.425 4.480 -0.010 0.000 0.265 380 M C 1.755 178.102 176.300 0.079 0.000 1.066 380 M CA 1.191 56.513 55.300 0.037 0.000 1.123 380 M CB -1.181 31.422 32.600 0.004 0.000 1.388 380 M HN 0.527 nan 8.290 nan 0.000 0.425 381 E N 0.165 120.408 120.200 0.071 0.000 2.152 381 E HA -0.041 4.303 4.350 -0.010 0.000 0.192 381 E C 2.030 178.709 176.600 0.132 0.000 0.983 381 E CA 0.939 57.414 56.400 0.126 0.000 0.818 381 E CB -0.003 29.746 29.700 0.082 0.000 0.758 381 E HN 0.454 nan 8.360 nan 0.000 0.467 382 A N 0.973 123.840 122.820 0.079 0.000 1.969 382 A HA -0.048 4.266 4.320 -0.010 0.000 0.218 382 A C 2.332 179.953 177.584 0.063 0.000 1.169 382 A CA 1.488 53.559 52.037 0.056 0.000 0.635 382 A CB -0.712 18.308 19.000 0.033 0.000 0.810 382 A HN 0.342 nan 8.150 nan 0.000 0.445 383 G N -1.879 106.971 108.800 0.084 0.000 2.464 383 G HA2 -0.069 3.885 3.960 -0.010 0.000 0.217 383 G HA3 -0.069 3.885 3.960 -0.010 0.000 0.217 383 G C 1.328 176.318 174.900 0.150 0.000 1.138 383 G CA 0.874 46.028 45.100 0.090 0.000 0.793 383 G HN 0.405 nan 8.290 nan 0.000 0.539 384 F N 2.494 122.445 119.950 0.002 0.000 2.206 384 F HA 0.202 4.723 4.527 -0.010 0.000 0.298 384 F C 1.668 177.469 175.800 0.002 0.000 1.090 384 F CA -0.233 57.769 58.000 0.004 0.000 1.323 384 F CB -0.353 38.650 39.000 0.004 0.000 1.028 384 F HN -0.059 nan 8.300 nan 0.000 0.492 385 S N -0.179 115.525 115.700 0.007 0.000 2.589 385 S HA 0.253 4.717 4.470 -0.010 0.000 0.265 385 S C 1.197 175.758 174.600 -0.064 0.000 1.342 385 S CA 0.229 58.385 58.200 -0.074 0.000 1.005 385 S CB 1.215 64.407 63.200 -0.012 0.000 0.909 385 S HN 0.876 nan 8.310 nan 0.000 0.555 386 V N -1.263 118.607 119.914 -0.072 0.000 1.910 386 V HA -0.313 3.801 4.120 -0.010 0.000 0.081 386 V C 1.008 177.070 176.094 -0.053 0.000 0.454 386 V CA 2.145 64.413 62.300 -0.052 0.000 1.406 386 V CB -2.495 29.312 31.823 -0.026 0.000 1.664 386 V HN 2.328 nan 8.190 nan 0.000 0.866 387 G N -1.530 107.221 108.800 -0.081 0.000 2.168 387 G HA2 -0.296 3.658 3.960 -0.010 0.000 0.257 387 G HA3 -0.296 3.658 3.960 -0.010 0.000 0.257 387 G C 0.835 175.730 174.900 -0.009 0.000 0.997 387 G CA 1.363 46.421 45.100 -0.069 0.000 0.708 387 G HN 2.099 nan 8.290 nan 0.000 0.520 388 T N -1.226 113.335 114.554 0.012 0.000 3.067 388 T HA 0.265 4.609 4.350 -0.010 0.000 0.261 388 T C 0.741 175.473 174.700 0.054 0.000 1.110 388 T CA 1.659 63.775 62.100 0.027 0.000 1.113 388 T CB -0.045 68.835 68.868 0.021 0.000 0.917 388 T HN 0.451 nan 8.240 nan 0.000 0.499 389 E N 1.193 121.450 120.200 0.094 0.000 2.343 389 E HA 0.379 4.723 4.350 -0.010 0.000 0.270 389 E C -0.422 176.310 176.600 0.219 0.000 0.895 389 E CA -0.471 56.005 56.400 0.127 0.000 0.767 389 E CB 2.087 31.857 29.700 0.116 0.000 1.248 389 E HN 0.220 nan 8.360 nan 0.000 0.440 390 T N 1.166 115.816 114.554 0.161 0.000 2.732 390 T HA 0.233 4.577 4.350 -0.010 0.000 0.287 390 T C 1.432 176.207 174.700 0.124 0.000 0.993 390 T CA -0.520 61.685 62.100 0.175 0.000 0.966 390 T CB 0.744 69.661 68.868 0.082 0.000 1.047 390 T HN 0.459 nan 8.240 nan 0.000 0.527 391 I N 0.212 120.812 120.570 0.050 0.000 2.703 391 I HA -0.034 4.130 4.170 -0.010 0.000 0.259 391 I C 1.844 177.846 176.117 -0.190 0.000 1.151 391 I CA 0.763 61.884 61.300 -0.298 0.000 1.470 391 I CB 0.035 37.929 38.000 -0.176 0.000 1.112 391 I HN 0.350 nan 8.210 nan 0.000 0.437 392 V N 0.891 120.764 119.914 -0.068 0.000 2.809 392 V HA -0.218 3.897 4.120 -0.010 0.000 0.256 392 V C 1.639 177.705 176.094 -0.046 0.000 1.080 392 V CA 1.795 64.067 62.300 -0.046 0.000 1.102 392 V CB -0.826 30.990 31.823 -0.012 0.000 0.705 392 V HN 0.384 nan 8.190 nan 0.000 0.475 393 D N 0.486 120.859 120.400 -0.045 0.000 2.194 393 D HA -0.098 4.537 4.640 -0.010 0.000 0.204 393 D C 2.118 178.382 176.300 -0.060 0.000 0.964 393 D CA 1.353 55.333 54.000 -0.033 0.000 0.846 393 D CB -0.018 40.781 40.800 -0.002 0.000 0.962 393 D HN 0.462 nan 8.370 nan 0.000 0.490 394 V N -1.177 118.661 119.914 -0.126 0.000 2.871 394 V HA -0.019 4.095 4.120 -0.010 0.000 0.256 394 V C 1.763 177.788 176.094 -0.116 0.000 1.082 394 V CA 0.821 63.032 62.300 -0.150 0.000 1.105 394 V CB -0.392 31.256 31.823 -0.290 0.000 0.713 394 V HN 0.041 nan 8.190 nan 0.000 0.473 395 L N 0.989 122.147 121.223 -0.109 0.000 2.313 395 L HA 0.119 4.454 4.340 -0.010 0.000 0.214 395 L C 1.956 178.814 176.870 -0.020 0.000 1.119 395 L CA 1.664 56.471 54.840 -0.054 0.000 0.809 395 L CB -0.869 41.160 42.059 -0.050 0.000 0.933 395 L HN 0.325 nan 8.230 nan 0.000 0.449 396 D N -0.845 119.540 120.400 -0.025 0.000 2.149 396 D HA -0.090 4.545 4.640 -0.010 0.000 0.201 396 D C 2.262 178.557 176.300 -0.008 0.000 0.972 396 D CA 1.147 55.141 54.000 -0.010 0.000 0.835 396 D CB 0.097 40.890 40.800 -0.011 0.000 0.966 396 D HN 0.294 nan 8.370 nan 0.000 0.476 397 A N 0.178 122.985 122.820 -0.020 0.000 1.930 397 A HA -0.159 4.155 4.320 -0.010 0.000 0.217 397 A C 2.308 179.881 177.584 -0.019 0.000 1.175 397 A CA 2.223 54.246 52.037 -0.024 0.000 0.627 397 A CB -1.128 17.852 19.000 -0.033 0.000 0.815 397 A HN 0.381 nan 8.150 nan 0.000 0.443 398 T N -1.777 112.780 114.554 0.006 0.000 2.701 398 T HA -0.178 4.166 4.350 -0.010 0.000 0.263 398 T C 1.993 176.778 174.700 0.142 0.000 1.040 398 T CA 2.247 64.389 62.100 0.069 0.000 1.147 398 T CB -1.471 67.472 68.868 0.124 0.000 0.865 398 T HN 0.612 nan 8.240 nan 0.000 0.426 399 T N 1.134 115.750 114.554 0.104 0.000 2.867 399 T HA -0.121 4.223 4.350 -0.010 0.000 0.268 399 T C 2.195 176.937 174.700 0.069 0.000 1.057 399 T CA 1.732 63.893 62.100 0.102 0.000 1.136 399 T CB -1.377 67.520 68.868 0.049 0.000 0.874 399 T HN 0.652 nan 8.240 nan 0.000 0.466 400 T N -0.159 114.413 114.554 0.030 0.000 3.055 400 T HA 0.186 4.531 4.350 -0.010 0.000 0.265 400 T C 1.760 176.448 174.700 -0.020 0.000 1.111 400 T CA 0.593 62.698 62.100 0.009 0.000 1.118 400 T CB -0.408 68.461 68.868 0.002 0.000 0.909 400 T HN 0.305 nan 8.240 nan 0.000 0.501 401 L N -0.296 120.894 121.223 -0.056 0.000 2.049 401 L HA 0.205 4.539 4.340 -0.010 0.000 0.203 401 L C 2.278 179.021 176.870 -0.213 0.000 1.074 401 L CA 1.455 56.196 54.840 -0.165 0.000 0.749 401 L CB -0.674 41.220 42.059 -0.274 0.000 0.907 401 L HN 0.096 nan 8.230 nan 0.000 0.439 402 Y N 0.259 120.487 120.300 -0.120 0.000 2.274 402 Y HA -0.191 4.354 4.550 -0.010 0.000 0.290 402 Y C 2.437 178.260 175.900 -0.128 0.000 1.145 402 Y CA 1.605 59.602 58.100 -0.172 0.000 1.203 402 Y CB -0.664 37.722 38.460 -0.123 0.000 0.984 402 Y HN 0.363 nan 8.280 nan 0.000 0.533 403 N N -0.226 118.509 118.700 0.060 0.000 2.106 403 N HA -0.149 4.585 4.740 -0.010 0.000 0.188 403 N C 2.047 177.521 175.510 -0.061 0.000 1.029 403 N CA 1.381 54.436 53.050 0.009 0.000 0.848 403 N CB -0.658 37.836 38.487 0.011 0.000 1.007 403 N HN 0.321 nan 8.380 nan 0.000 0.423 404 A N 1.066 123.850 122.820 -0.060 0.000 1.917 404 A HA -0.209 4.105 4.320 -0.010 0.000 0.219 404 A C 2.070 179.583 177.584 -0.119 0.000 1.182 404 A CA 1.584 53.582 52.037 -0.066 0.000 0.633 404 A CB -0.461 18.529 19.000 -0.017 0.000 0.819 404 A HN 0.253 nan 8.150 nan 0.000 0.448 405 K N -0.868 119.451 120.400 -0.135 0.000 2.002 405 K HA -0.190 4.124 4.320 -0.010 0.000 0.209 405 K C 2.428 179.063 176.600 0.058 0.000 1.048 405 K CA 1.755 57.964 56.287 -0.131 0.000 0.930 405 K CB -0.250 31.987 32.500 -0.437 0.000 0.714 405 K HN 0.609 nan 8.250 nan 0.000 0.438 406 Q N 0.484 120.351 119.800 0.111 0.000 2.077 406 Q HA -0.190 4.144 4.340 -0.010 0.000 0.206 406 Q C 2.021 178.000 176.000 -0.035 0.000 0.989 406 Q CA 1.348 57.263 55.803 0.186 0.000 0.853 406 Q CB 0.054 28.877 28.738 0.141 0.000 0.907 406 Q HN 0.249 nan 8.270 nan 0.000 0.418 407 E N 0.415 120.468 120.200 -0.245 0.000 2.153 407 E HA -0.183 4.161 4.350 -0.010 0.000 0.194 407 E C 2.015 178.289 176.600 -0.544 0.000 0.988 407 E CA 0.671 56.707 56.400 -0.606 0.000 0.811 407 E CB -0.146 28.767 29.700 -1.312 0.000 0.746 407 E HN 0.241 nan 8.360 nan 0.000 0.466 408 L N 0.836 121.881 121.223 -0.298 0.000 2.093 408 L HA -0.075 4.259 4.340 -0.010 0.000 0.208 408 L C 2.218 179.077 176.870 -0.018 0.000 1.085 408 L CA 1.879 56.674 54.840 -0.074 0.000 0.755 408 L CB -0.556 41.495 42.059 -0.013 0.000 0.904 408 L HN 0.015 nan 8.230 nan 0.000 0.435 409 A N -0.229 122.621 122.820 0.049 0.000 1.883 409 A HA -0.250 4.065 4.320 -0.010 0.000 0.217 409 A C 2.075 179.791 177.584 0.220 0.000 1.186 409 A CA 2.018 54.139 52.037 0.141 0.000 0.624 409 A CB -0.919 18.180 19.000 0.165 0.000 0.822 409 A HN 0.580 nan 8.150 nan 0.000 0.444 410 N N 0.539 119.303 118.700 0.107 0.000 2.069 410 N HA -0.129 4.606 4.740 -0.010 0.000 0.191 410 N C 1.823 177.417 175.510 0.140 0.000 1.031 410 N CA 1.834 54.952 53.050 0.113 0.000 0.852 410 N CB -0.604 37.888 38.487 0.007 0.000 1.018 410 N HN 0.477 nan 8.380 nan 0.000 0.423 411 A N 1.190 124.064 122.820 0.090 0.000 1.940 411 A HA -0.157 4.157 4.320 -0.010 0.000 0.219 411 A C 2.174 179.799 177.584 0.068 0.000 1.176 411 A CA 1.292 53.392 52.037 0.103 0.000 0.631 411 A CB -0.395 18.690 19.000 0.141 0.000 0.814 411 A HN 0.232 nan 8.150 nan 0.000 0.446 412 R N -1.744 118.741 120.500 -0.026 0.000 2.070 412 R HA -0.170 4.164 4.340 -0.010 0.000 0.233 412 R C 2.038 178.322 176.300 -0.026 0.000 1.137 412 R CA 1.967 57.987 56.100 -0.133 0.000 0.945 412 R CB -0.609 29.438 30.300 -0.423 0.000 0.845 412 R HN 0.690 nan 8.270 nan 0.000 0.430 413 Y N 1.096 121.371 120.300 -0.041 0.000 2.293 413 Y HA -0.122 4.423 4.550 -0.010 0.000 0.291 413 Y C 2.147 177.979 175.900 -0.113 0.000 1.137 413 Y CA 0.902 58.896 58.100 -0.177 0.000 1.202 413 Y CB -0.240 38.122 38.460 -0.162 0.000 0.990 413 Y HN 0.102 nan 8.280 nan 0.000 0.537 414 N N -0.856 117.927 118.700 0.138 0.000 2.244 414 N HA -0.200 4.534 4.740 -0.010 0.000 0.183 414 N C 1.665 177.231 175.510 0.094 0.000 1.016 414 N CA 1.173 54.282 53.050 0.098 0.000 0.866 414 N CB -0.758 37.790 38.487 0.100 0.000 0.980 414 N HN 0.485 nan 8.380 nan 0.000 0.430 415 Y N 1.679 121.987 120.300 0.012 0.000 2.163 415 Y HA -0.031 4.513 4.550 -0.009 0.000 0.288 415 Y C 2.086 177.977 175.900 -0.014 0.000 1.136 415 Y CA 1.218 59.328 58.100 0.017 0.000 1.147 415 Y CB -0.418 38.082 38.460 0.067 0.000 0.987 415 Y HN -0.084 nan 8.280 nan 0.000 0.509 416 L N -0.447 120.743 121.223 -0.054 0.000 2.012 416 L HA -0.232 4.102 4.340 -0.010 0.000 0.210 416 L C 2.370 179.133 176.870 -0.178 0.000 1.073 416 L CA 1.517 56.230 54.840 -0.212 0.000 0.748 416 L CB -0.588 41.265 42.059 -0.343 0.000 0.891 416 L HN 0.276 nan 8.230 nan 0.000 0.431 417 I N -0.217 120.291 120.570 -0.103 0.000 2.617 417 I HA -0.183 3.981 4.170 -0.010 0.000 0.256 417 I C 2.066 178.158 176.117 -0.042 0.000 1.167 417 I CA 1.136 62.430 61.300 -0.011 0.000 1.469 417 I CB -0.297 37.736 38.000 0.055 0.000 1.098 417 I HN 0.236 nan 8.210 nan 0.000 0.436 418 N N -0.241 118.410 118.700 -0.082 0.000 2.463 418 N HA -0.121 4.613 4.740 -0.010 0.000 0.181 418 N C 1.642 177.066 175.510 -0.142 0.000 1.078 418 N CA 0.373 53.375 53.050 -0.080 0.000 0.902 418 N CB 0.054 38.513 38.487 -0.046 0.000 0.970 418 N HN 0.542 nan 8.380 nan 0.000 0.451 419 Q N 0.975 120.617 119.800 -0.264 0.000 2.016 419 Q HA -0.022 4.312 4.340 -0.010 0.000 0.200 419 Q C 2.020 177.934 176.000 -0.143 0.000 0.978 419 Q CA 0.902 56.535 55.803 -0.282 0.000 0.833 419 Q CB 0.024 28.494 28.738 -0.447 0.000 0.895 419 Q HN 0.260 nan 8.270 nan 0.000 0.427 420 L N 1.046 122.202 121.223 -0.110 0.000 2.013 420 L HA -0.250 4.085 4.340 -0.010 0.000 0.212 420 L C 2.293 179.135 176.870 -0.047 0.000 1.073 420 L CA 1.172 55.974 54.840 -0.064 0.000 0.753 420 L CB -0.828 41.212 42.059 -0.032 0.000 0.890 420 L HN 0.296 nan 8.230 nan 0.000 0.432 421 N N 0.584 119.261 118.700 -0.038 0.000 2.069 421 N HA -0.167 4.567 4.740 -0.010 0.000 0.191 421 N C 1.866 177.366 175.510 -0.017 0.000 1.031 421 N CA 1.527 54.564 53.050 -0.021 0.000 0.852 421 N CB -0.323 38.157 38.487 -0.011 0.000 1.018 421 N HN 0.357 nan 8.380 nan 0.000 0.423 422 I N 0.839 121.397 120.570 -0.018 0.000 2.394 422 I HA -0.188 3.977 4.170 -0.010 0.000 0.251 422 I C 1.876 177.986 176.117 -0.012 0.000 1.136 422 I CA 0.887 62.188 61.300 0.002 0.000 1.425 422 I CB -0.170 37.844 38.000 0.024 0.000 1.079 422 I HN 0.045 nan 8.210 nan 0.000 0.425 423 K N 0.525 120.907 120.400 -0.029 0.000 2.031 423 K HA -0.080 4.234 4.320 -0.010 0.000 0.205 423 K C 2.280 178.863 176.600 -0.029 0.000 1.049 423 K CA 1.420 57.688 56.287 -0.032 0.000 0.939 423 K CB -0.690 31.784 32.500 -0.044 0.000 0.717 423 K HN 0.187 nan 8.250 nan 0.000 0.438 424 S N 0.986 116.668 115.700 -0.030 0.000 2.419 424 S HA -0.080 4.384 4.470 -0.010 0.000 0.233 424 S C 1.996 176.585 174.600 -0.020 0.000 1.016 424 S CA 1.100 59.284 58.200 -0.027 0.000 0.974 424 S CB -0.113 63.071 63.200 -0.027 0.000 0.786 424 S HN 0.329 nan 8.310 nan 0.000 0.492 425 A N 1.163 123.973 122.820 -0.017 0.000 1.968 425 A HA 0.178 4.492 4.320 -0.010 0.000 0.217 425 A C 2.086 179.659 177.584 -0.017 0.000 1.169 425 A CA 1.011 53.039 52.037 -0.015 0.000 0.638 425 A CB -0.563 18.430 19.000 -0.012 0.000 0.812 425 A HN 0.589 nan 8.150 nan 0.000 0.446 426 L N -1.724 119.488 121.223 -0.018 0.000 2.217 426 L HA 0.086 4.420 4.340 -0.010 0.000 0.211 426 L C 2.042 178.905 176.870 -0.013 0.000 1.107 426 L CA 0.892 55.722 54.840 -0.018 0.000 0.783 426 L CB -0.373 41.674 42.059 -0.020 0.000 0.919 426 L HN 0.579 nan 8.230 nan 0.000 0.442 427 G N -0.547 108.244 108.800 -0.014 0.000 2.213 427 G HA2 -0.285 3.670 3.960 -0.010 0.000 0.226 427 G HA3 -0.285 3.670 3.960 -0.010 0.000 0.226 427 G C 0.849 175.740 174.900 -0.016 0.000 0.992 427 G CA 0.389 45.482 45.100 -0.012 0.000 0.632 427 G HN 0.334 nan 8.290 nan 0.000 0.511 428 T N -0.647 113.896 114.554 -0.018 0.000 3.366 428 T HA 0.606 4.950 4.350 -0.010 0.000 0.249 428 T C 0.620 175.302 174.700 -0.030 0.000 1.028 428 T CA 0.153 62.241 62.100 -0.020 0.000 0.938 428 T CB 0.502 69.359 68.868 -0.018 0.000 1.046 428 T HN 0.643 nan 8.240 nan 0.000 0.587 429 L N 3.581 124.782 121.223 -0.036 0.000 2.281 429 L HA 0.512 4.847 4.340 -0.010 0.000 0.285 429 L C -0.154 176.681 176.870 -0.058 0.000 1.074 429 L CA 0.076 54.885 54.840 -0.051 0.000 0.817 429 L CB 0.277 42.303 42.059 -0.055 0.000 1.168 429 L HN 0.692 nan 8.230 nan 0.000 0.434 430 N N 1.012 119.671 118.700 -0.069 0.000 3.439 430 N HA 0.296 5.030 4.740 -0.010 0.000 0.313 430 N C 0.065 175.517 175.510 -0.097 0.000 1.598 430 N CA -0.730 52.280 53.050 -0.067 0.000 0.830 430 N CB 0.328 38.793 38.487 -0.036 0.000 1.849 430 N HN 0.278 nan 8.380 nan 0.000 0.598 431 E N -0.223 119.937 120.200 -0.067 0.000 2.097 431 E HA -0.277 4.067 4.350 -0.010 0.000 0.196 431 E C 1.405 177.961 176.600 -0.072 0.000 1.000 431 E CA 1.646 58.005 56.400 -0.068 0.000 0.804 431 E CB -0.285 29.415 29.700 -0.000 0.000 0.740 431 E HN 0.595 nan 8.360 nan 0.000 0.454 432 Q N 0.829 120.598 119.800 -0.050 0.000 2.124 432 Q HA -0.154 4.180 4.340 -0.010 0.000 0.202 432 Q C 1.408 177.375 176.000 -0.054 0.000 0.977 432 Q CA 1.868 57.646 55.803 -0.043 0.000 0.850 432 Q CB -0.044 28.677 28.738 -0.030 0.000 0.901 432 Q HN 0.285 nan 8.270 nan 0.000 0.429 433 D N -0.697 119.663 120.400 -0.067 0.000 2.144 433 D HA -0.157 4.477 4.640 -0.010 0.000 0.199 433 D C 1.337 177.585 176.300 -0.086 0.000 0.984 433 D CA 0.838 54.795 54.000 -0.072 0.000 0.834 433 D CB -0.004 40.751 40.800 -0.077 0.000 0.955 433 D HN 0.163 nan 8.370 nan 0.000 0.465 434 L N 0.093 121.243 121.223 -0.122 0.000 2.395 434 L HA 0.085 4.420 4.340 -0.010 0.000 0.218 434 L C 1.609 178.412 176.870 -0.113 0.000 1.130 434 L CA 0.654 55.401 54.840 -0.155 0.000 0.826 434 L CB -0.006 41.884 42.059 -0.283 0.000 0.941 434 L HN 0.061 nan 8.230 nan 0.000 0.451 435 L N -0.418 120.757 121.223 -0.081 0.000 2.068 435 L HA 0.084 4.418 4.340 -0.010 0.000 0.204 435 L C 2.389 179.234 176.870 -0.041 0.000 1.076 435 L CA 1.843 56.652 54.840 -0.052 0.000 0.753 435 L CB -0.837 41.200 42.059 -0.036 0.000 0.910 435 L HN 0.157 nan 8.230 nan 0.000 0.439 436 A N -0.778 122.018 122.820 -0.041 0.000 2.225 436 A HA -0.048 4.266 4.320 -0.010 0.000 0.215 436 A C 1.950 179.513 177.584 -0.035 0.000 1.164 436 A CA 1.252 53.269 52.037 -0.035 0.000 0.710 436 A CB -0.827 18.151 19.000 -0.036 0.000 0.780 436 A HN 0.507 nan 8.150 nan 0.000 0.473 437 L N -1.289 119.916 121.223 -0.030 0.000 2.607 437 L HA 0.080 4.414 4.340 -0.010 0.000 0.228 437 L C 1.236 178.113 176.870 0.012 0.000 1.123 437 L CA 0.226 55.064 54.840 -0.004 0.000 0.890 437 L CB -0.374 41.705 42.059 0.033 0.000 1.103 437 L HN 0.443 nan 8.230 nan 0.000 0.468 438 N N -0.142 118.553 118.700 -0.008 0.000 2.415 438 N HA -0.046 4.689 4.740 -0.010 0.000 0.176 438 N C 1.377 176.894 175.510 0.011 0.000 1.042 438 N CA 0.179 53.231 53.050 0.003 0.000 0.902 438 N CB 0.193 38.673 38.487 -0.011 0.000 0.986 438 N HN 0.292 nan 8.380 nan 0.000 0.447 439 N N 1.262 119.960 118.700 -0.003 0.000 2.331 439 N HA -0.055 4.679 4.740 -0.010 0.000 0.180 439 N C 1.571 177.075 175.510 -0.009 0.000 1.019 439 N CA 0.736 53.782 53.050 -0.006 0.000 0.881 439 N CB -0.096 38.380 38.487 -0.018 0.000 0.972 439 N HN 0.236 nan 8.380 nan 0.000 0.435 440 A N 1.529 124.337 122.820 -0.020 0.000 1.874 440 A HA 0.061 4.375 4.320 -0.010 0.000 0.214 440 A C 1.107 178.713 177.584 0.036 0.000 1.189 440 A CA 0.510 52.524 52.037 -0.039 0.000 0.615 440 A CB -0.616 18.314 19.000 -0.118 0.000 0.830 440 A HN 0.238 nan 8.150 nan 0.000 0.443 441 L N -3.048 118.223 121.223 0.079 0.000 2.456 441 L HA 0.767 5.101 4.340 -0.010 0.000 0.257 441 L C 0.738 177.662 176.870 0.090 0.000 1.162 441 L CA 0.596 55.508 54.840 0.120 0.000 0.808 441 L CB 0.759 42.935 42.059 0.195 0.000 1.136 441 L HN 0.158 nan 8.230 nan 0.000 0.466 442 S N -1.409 114.348 115.700 0.095 0.000 5.707 442 S HA 0.263 4.727 4.470 -0.010 0.000 0.128 442 S C -0.341 174.304 174.600 0.074 0.000 1.212 442 S CA -0.380 57.864 58.200 0.074 0.000 1.212 442 S CB -0.135 63.102 63.200 0.062 0.000 2.049 442 S HN 0.610 nan 8.310 nan 0.000 0.680 443 K N 3.803 124.245 120.400 0.069 0.000 2.430 443 K HA 0.167 4.481 4.320 -0.010 0.000 0.280 443 K C -2.571 174.068 176.600 0.065 0.000 1.063 443 K CA -0.832 55.492 56.287 0.062 0.000 1.071 443 K CB 0.315 32.849 32.500 0.057 0.000 0.899 443 K HN 0.360 nan 8.250 nan 0.000 0.473 444 P HA 0.005 nan 4.420 nan 0.000 0.276 444 P C -0.480 176.850 177.300 0.050 0.000 1.253 444 P CA -0.158 62.979 63.100 0.063 0.000 0.766 444 P CB 1.018 32.756 31.700 0.064 0.000 0.845 445 V N 3.136 123.076 119.914 0.042 0.000 2.732 445 V HA 0.366 4.480 4.120 -0.010 0.000 0.310 445 V C 0.453 176.561 176.094 0.023 0.000 1.053 445 V CA -0.581 61.736 62.300 0.027 0.000 0.957 445 V CB 1.895 33.728 31.823 0.017 0.000 1.018 445 V HN 0.668 nan 8.190 nan 0.000 0.452 446 S N 2.700 118.411 115.700 0.018 0.000 2.579 446 S HA 0.188 4.653 4.470 -0.010 0.000 0.275 446 S C 1.007 175.612 174.600 0.008 0.000 1.345 446 S CA 0.345 58.556 58.200 0.019 0.000 1.031 446 S CB 1.030 64.238 63.200 0.014 0.000 0.892 446 S HN 1.175 nan 8.310 nan 0.000 0.529 447 T N 0.529 115.094 114.554 0.019 0.000 3.040 447 T HA 0.255 4.599 4.350 -0.010 0.000 0.266 447 T C 0.123 174.832 174.700 0.014 0.000 1.005 447 T CA -0.483 61.624 62.100 0.011 0.000 0.906 447 T CB -0.323 68.565 68.868 0.033 0.000 1.082 447 T HN 0.447 nan 8.240 nan 0.000 0.531 448 N N 3.185 121.893 118.700 0.014 0.000 2.414 448 N HA 0.366 5.100 4.740 -0.010 0.000 0.256 448 N C -2.720 172.788 175.510 -0.003 0.000 1.029 448 N CA -2.194 50.862 53.050 0.010 0.000 0.948 448 N CB 1.485 39.979 38.487 0.011 0.000 1.102 448 N HN 0.010 nan 8.380 nan 0.000 0.496 449 P HA 0.069 nan 4.420 nan 0.000 0.249 449 P C -0.818 176.472 177.300 -0.017 0.000 1.686 449 P CA 0.304 63.393 63.100 -0.017 0.000 0.873 449 P CB -0.179 31.509 31.700 -0.020 0.000 1.828 450 E N 1.360 121.552 120.200 -0.014 0.000 2.158 450 E HA 0.643 4.987 4.350 -0.010 0.000 0.271 450 E C -0.885 175.706 176.600 -0.015 0.000 0.911 450 E CA -0.501 55.890 56.400 -0.015 0.000 0.767 450 E CB 1.244 30.938 29.700 -0.011 0.000 1.120 450 E HN 0.028 nan 8.360 nan 0.000 0.405 451 L N 0.000 121.212 121.223 -0.018 0.000 2.949 451 L HA 0.000 4.334 4.340 -0.010 0.000 0.249 451 L CA 0.000 nan 54.840 nan 0.000 0.813 451 L CB 0.000 nan 42.059 nan 0.000 0.961 451 L HN 0.000 nan 8.230 nan 0.000 0.502