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 1x19_1_A DATA FIRST_RESID -11 DATA SEQUENCE HSSGLVPRGS HMMSNNDLLN YYHRANELVF KGLIEFSCMK AAIELDLFSH DATA SEQUENCE MAEGPKDLAT LAADTGSVPP RLEMLLETLR QMRVINLEDG KWSLTEFADY DATA SEQUENCE MFSPTPKEPN LHQTPVAKAM AFLADDFYMG LSQAVRGQKN FKGQVPYPPV DATA SEQUENCE TREDNLYFEE IHRSNAKFAI QLLLEEAKLD GVKKMIDVGG GIGDISAAML DATA SEQUENCE KHFPELDSTI LNLPGAIDLV NENAAEKGVA DRMRGIAVDI YKESYPEADA DATA SEQUENCE VLFCRILYSA NEQLSTIMCK KAFDAMRSGG RLLILDMVID DPENPNFDYL DATA SEQUENCE SHYILGAGMP FSVLGFKEQA RYKEILESLG YKDVTMVRKY DHLLVQAVKP 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 -11 H HA 0.000 nan 4.556 nan 0.000 0.296 -11 H C 0.000 175.267 175.328 -0.102 0.000 0.993 -11 H CA 0.000 55.983 56.048 -0.107 0.000 1.023 -11 H CB 0.000 29.669 29.762 -0.156 0.000 1.292 -10 S N -0.642 115.066 115.700 0.013 0.000 2.560 -10 S HA 0.530 4.999 4.470 -0.000 0.000 0.283 -10 S C -0.136 174.426 174.600 -0.063 0.000 1.141 -10 S CA 0.036 58.220 58.200 -0.027 0.000 0.902 -10 S CB 1.768 64.954 63.200 -0.024 0.000 1.104 -10 S HN 0.845 nan 8.310 nan 0.000 0.454 -9 S N 1.556 117.224 115.700 -0.054 0.000 3.448 -9 S HA 0.367 4.837 4.470 -0.000 0.000 0.254 -9 S C 1.333 175.907 174.600 -0.044 0.000 1.102 -9 S CA 0.273 58.434 58.200 -0.065 0.000 0.797 -9 S CB -0.798 62.355 63.200 -0.079 0.000 0.891 -9 S HN 1.618 nan 8.310 nan 0.000 0.474 -8 G N 5.375 114.154 108.800 -0.034 0.000 2.764 -8 G HA2 0.405 4.365 3.960 -0.000 0.000 0.278 -8 G HA3 0.405 4.365 3.960 -0.000 0.000 0.278 -8 G C 0.590 175.477 174.900 -0.021 0.000 0.686 -8 G CA -0.321 44.764 45.100 -0.025 0.000 2.105 -8 G HN 0.780 nan 8.290 nan 0.000 0.562 -7 L N -0.507 120.704 121.223 -0.021 0.000 3.369 -7 L HA -0.071 4.268 4.340 -0.000 0.000 0.446 -7 L C 0.457 177.322 176.870 -0.010 0.000 1.289 -7 L CA -0.025 54.806 54.840 -0.015 0.000 0.751 -7 L CB -0.666 41.388 42.059 -0.009 0.000 0.894 -7 L HN 0.256 nan 8.230 nan 0.000 0.789 -6 V N -2.026 117.885 119.914 -0.005 0.000 2.612 -6 V HA 0.701 4.821 4.120 -0.000 0.000 0.301 -6 V C -2.133 173.966 176.094 0.008 0.000 1.046 -6 V CA -1.731 60.569 62.300 -0.001 0.000 0.946 -6 V CB 0.992 32.814 31.823 -0.001 0.000 1.003 -6 V HN 0.869 nan 8.190 nan 0.000 0.459 -5 P HA 0.428 nan 4.420 nan 0.000 0.290 -5 P C -1.147 176.167 177.300 0.025 0.000 1.276 -5 P CA -0.548 62.562 63.100 0.016 0.000 0.808 -5 P CB 1.339 33.043 31.700 0.005 0.000 0.966 -4 R N 2.629 123.157 120.500 0.047 0.000 2.363 -4 R HA 0.477 4.817 4.340 -0.000 0.000 0.297 -4 R C 0.817 177.165 176.300 0.081 0.000 1.208 -4 R CA 0.094 56.226 56.100 0.053 0.000 1.121 -4 R CB -0.188 30.143 30.300 0.053 0.000 1.124 -4 R HN 0.814 nan 8.270 nan 0.000 0.561 -3 G N 1.773 110.603 108.800 0.050 0.000 2.596 -3 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.304 -3 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.304 -3 G C 0.396 175.305 174.900 0.015 0.000 1.189 -3 G CA 0.456 45.582 45.100 0.043 0.000 0.986 -3 G HN 0.515 nan 8.290 nan 0.000 0.548 -2 S N 1.478 117.167 115.700 -0.017 0.000 2.634 -2 S HA 0.285 4.755 4.470 -0.000 0.000 0.221 -2 S C 0.618 175.039 174.600 -0.299 0.000 0.952 -2 S CA 0.265 58.374 58.200 -0.153 0.000 0.930 -2 S CB -0.170 62.906 63.200 -0.208 0.000 0.780 -2 S HN 0.590 nan 8.310 nan 0.000 0.498 -1 H N -0.124 118.943 119.070 -0.005 0.000 2.771 -1 H HA 0.568 5.124 4.556 -0.000 0.000 0.344 -1 H C -0.392 174.932 175.328 -0.007 0.000 1.260 -1 H CA -0.681 55.364 56.048 -0.006 0.000 1.276 -1 H CB 1.066 30.825 29.762 -0.005 0.000 1.881 -1 H HN 0.145 nan 8.280 nan 0.000 0.615 0 M N 1.287 120.965 119.600 0.130 0.000 2.644 0 M HA 0.465 4.945 4.480 -0.000 0.000 0.304 0 M C -0.475 175.857 176.300 0.053 0.000 1.215 0 M CA -0.507 54.830 55.300 0.063 0.000 0.871 0 M CB 2.994 35.614 32.600 0.033 0.000 1.740 0 M HN 0.681 nan 8.290 nan 0.000 0.464 1 M N -1.406 118.210 119.600 0.028 0.000 3.644 1 M HA 0.451 4.931 4.480 -0.000 0.000 0.311 1 M C -0.989 175.313 176.300 0.004 0.000 1.411 1 M CA -0.881 54.427 55.300 0.014 0.000 0.878 1 M CB 1.315 33.920 32.600 0.008 0.000 1.848 1 M HN 0.398 nan 8.290 nan 0.000 0.502 2 S N 2.284 117.984 115.700 -0.000 0.000 4.607 2 S HA -0.129 4.341 4.470 -0.000 0.000 0.553 2 S C 0.169 174.765 174.600 -0.008 0.000 0.985 2 S CA 0.961 59.159 58.200 -0.003 0.000 1.016 2 S CB -0.836 62.364 63.200 -0.001 0.000 1.258 2 S HN 0.749 nan 8.310 nan 0.000 0.434 3 N N 3.841 122.533 118.700 -0.015 0.000 2.272 3 N HA 0.070 4.810 4.740 -0.000 0.000 0.195 3 N C 1.176 176.665 175.510 -0.035 0.000 1.048 3 N CA 0.766 53.800 53.050 -0.026 0.000 0.912 3 N CB -0.521 37.945 38.487 -0.034 0.000 1.096 3 N HN 0.785 nan 8.380 nan 0.000 0.471 4 N N -0.551 118.126 118.700 -0.038 0.000 2.866 4 N HA -0.305 4.435 4.740 -0.000 0.000 0.228 4 N C -0.049 175.415 175.510 -0.078 0.000 0.811 4 N CA 1.581 54.608 53.050 -0.039 0.000 1.212 4 N CB -0.986 37.499 38.487 -0.003 0.000 0.982 4 N HN 0.284 nan 8.380 nan 0.000 0.623 5 D N 0.950 121.281 120.400 -0.116 0.000 2.087 5 D HA -0.074 4.566 4.640 -0.000 0.000 0.192 5 D C 2.057 178.118 176.300 -0.398 0.000 0.993 5 D CA 1.133 54.992 54.000 -0.234 0.000 0.828 5 D CB -0.378 40.274 40.800 -0.246 0.000 0.968 5 D HN 0.366 nan 8.370 nan 0.000 0.448 6 L N 0.114 121.137 121.223 -0.335 0.000 2.201 6 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 6 L C 2.324 179.109 176.870 -0.143 0.000 1.105 6 L CA 0.244 54.907 54.840 -0.295 0.000 0.775 6 L CB -0.273 41.691 42.059 -0.157 0.000 0.913 6 L HN 0.069 nan 8.230 nan 0.000 0.440 7 L N 0.003 121.131 121.223 -0.159 0.000 2.201 7 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 7 L C 2.026 178.801 176.870 -0.159 0.000 1.105 7 L CA 1.591 56.309 54.840 -0.202 0.000 0.775 7 L CB -0.557 41.385 42.059 -0.195 0.000 0.913 7 L HN 0.221 nan 8.230 nan 0.000 0.440 8 N N -1.638 117.048 118.700 -0.022 0.000 2.416 8 N HA -0.093 4.646 4.740 -0.000 0.000 0.177 8 N C 1.732 177.401 175.510 0.265 0.000 1.036 8 N CA 1.001 54.134 53.050 0.139 0.000 0.901 8 N CB -0.180 38.387 38.487 0.135 0.000 0.976 8 N HN 0.536 nan 8.380 nan 0.000 0.444 9 Y N -0.622 119.688 120.300 0.017 0.000 2.220 9 Y HA -0.241 4.309 4.550 -0.000 0.000 0.291 9 Y C 2.274 178.218 175.900 0.073 0.000 1.129 9 Y CA 0.546 58.654 58.100 0.013 0.000 1.161 9 Y CB -0.164 38.272 38.460 -0.040 0.000 0.997 9 Y HN 0.027 nan 8.280 nan 0.000 0.522 10 Y N 0.476 120.825 120.300 0.082 0.000 2.165 10 Y HA -0.340 4.209 4.550 -0.000 0.000 0.286 10 Y C 2.228 178.171 175.900 0.071 0.000 1.155 10 Y CA 2.017 60.124 58.100 0.013 0.000 1.164 10 Y CB -0.776 37.617 38.460 -0.112 0.000 0.978 10 Y HN 0.172 nan 8.280 nan 0.000 0.513 11 H N -1.468 117.709 119.070 0.178 0.000 2.326 11 H HA -0.106 4.449 4.556 -0.000 0.000 0.301 11 H C 2.292 177.630 175.328 0.017 0.000 1.081 11 H CA 0.964 57.041 56.048 0.048 0.000 1.334 11 H CB 0.005 29.835 29.762 0.113 0.000 1.385 11 H HN 0.082 nan 8.280 nan 0.000 0.504 12 R N 1.490 122.099 120.500 0.181 0.000 2.073 12 R HA -0.073 4.266 4.340 -0.000 0.000 0.234 12 R C 2.332 178.647 176.300 0.025 0.000 1.134 12 R CA 1.522 57.674 56.100 0.086 0.000 0.952 12 R CB -0.828 29.514 30.300 0.071 0.000 0.850 12 R HN 0.294 nan 8.270 nan 0.000 0.433 13 A N 0.718 123.545 122.820 0.012 0.000 1.908 13 A HA -0.195 4.124 4.320 -0.000 0.000 0.218 13 A C 1.886 179.448 177.584 -0.036 0.000 1.181 13 A CA 1.953 53.970 52.037 -0.033 0.000 0.627 13 A CB -0.740 18.249 19.000 -0.019 0.000 0.818 13 A HN 0.479 nan 8.150 nan 0.000 0.445 14 N N -0.425 118.274 118.700 -0.002 0.000 2.244 14 N HA -0.136 4.603 4.740 -0.000 0.000 0.183 14 N C 1.701 177.285 175.510 0.122 0.000 1.016 14 N CA 1.411 54.531 53.050 0.118 0.000 0.866 14 N CB -0.366 38.134 38.487 0.022 0.000 0.980 14 N HN 0.799 nan 8.380 nan 0.000 0.430 15 E N 0.135 120.363 120.200 0.047 0.000 2.072 15 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 15 E C 1.545 178.138 176.600 -0.012 0.000 0.985 15 E CA 0.603 57.019 56.400 0.025 0.000 0.801 15 E CB 0.030 29.734 29.700 0.006 0.000 0.750 15 E HN 0.024 nan 8.360 nan 0.000 0.452 16 L N 0.420 121.616 121.223 -0.045 0.000 2.046 16 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 16 L C 2.293 179.089 176.870 -0.124 0.000 1.077 16 L CA 1.222 56.010 54.840 -0.087 0.000 0.747 16 L CB -0.500 41.505 42.059 -0.090 0.000 0.896 16 L HN 0.130 nan 8.230 nan 0.000 0.432 17 V N -2.450 117.355 119.914 -0.181 0.000 2.949 17 V HA -0.052 4.067 4.120 -0.000 0.000 0.245 17 V C 1.744 177.609 176.094 -0.382 0.000 1.086 17 V CA 0.885 62.974 62.300 -0.351 0.000 1.097 17 V CB -0.118 31.357 31.823 -0.580 0.000 0.762 17 V HN 0.197 nan 8.190 nan 0.000 0.470 18 F N 0.096 120.016 119.950 -0.050 0.000 2.482 18 F HA 0.197 4.724 4.527 -0.000 0.000 0.278 18 F C 2.283 178.066 175.800 -0.028 0.000 0.969 18 F CA 0.844 58.821 58.000 -0.038 0.000 1.223 18 F CB -0.374 38.599 39.000 -0.046 0.000 1.140 18 F HN -0.179 nan 8.300 nan 0.000 0.672 19 K N 0.891 121.402 120.400 0.186 0.000 2.009 19 K HA -0.133 4.187 4.320 -0.000 0.000 0.210 19 K C 2.233 178.869 176.600 0.060 0.000 1.049 19 K CA 1.866 58.207 56.287 0.090 0.000 0.929 19 K CB -0.841 31.687 32.500 0.048 0.000 0.714 19 K HN 0.318 nan 8.250 nan 0.000 0.440 20 G N 1.555 110.370 108.800 0.025 0.000 2.421 20 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 20 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 20 G C 1.417 176.345 174.900 0.046 0.000 1.171 20 G CA 0.922 46.022 45.100 0.001 0.000 0.775 20 G HN 0.321 nan 8.290 nan 0.000 0.543 21 L N 0.609 121.853 121.223 0.035 0.000 1.989 21 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 21 L C 2.589 179.533 176.870 0.124 0.000 1.071 21 L CA 1.617 56.496 54.840 0.065 0.000 0.749 21 L CB -0.674 41.401 42.059 0.026 0.000 0.890 21 L HN 0.182 nan 8.230 nan 0.000 0.431 22 I N -0.113 120.521 120.570 0.107 0.000 2.315 22 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 22 I C 2.501 178.664 176.117 0.077 0.000 1.117 22 I CA 1.216 62.571 61.300 0.091 0.000 1.404 22 I CB -0.724 37.329 38.000 0.088 0.000 1.071 22 I HN 0.350 nan 8.210 nan 0.000 0.419 23 E N -0.267 119.985 120.200 0.087 0.000 2.047 23 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 23 E C 2.186 178.846 176.600 0.100 0.000 0.987 23 E CA 1.296 57.741 56.400 0.075 0.000 0.799 23 E CB -0.284 29.461 29.700 0.074 0.000 0.752 23 E HN 0.473 nan 8.360 nan 0.000 0.449 24 F N 1.702 121.657 119.950 0.008 0.000 2.186 24 F HA -0.151 4.376 4.527 -0.001 0.000 0.299 24 F C 2.382 178.192 175.800 0.017 0.000 1.090 24 F CA 1.182 59.192 58.000 0.017 0.000 1.307 24 F CB -0.003 39.003 39.000 0.011 0.000 1.019 24 F HN -0.149 nan 8.300 nan 0.000 0.489 25 S N -0.499 115.277 115.700 0.125 0.000 2.382 25 S HA -0.225 4.245 4.470 -0.000 0.000 0.228 25 S C 2.163 176.698 174.600 -0.108 0.000 1.027 25 S CA 1.395 59.603 58.200 0.013 0.000 0.991 25 S CB -0.973 62.274 63.200 0.078 0.000 0.823 25 S HN 0.559 nan 8.310 nan 0.000 0.469 26 C N 1.323 120.573 119.300 -0.084 0.000 2.457 26 C HA 0.098 4.557 4.460 -0.000 0.000 0.278 26 C C 2.677 177.565 174.990 -0.170 0.000 1.309 26 C CA 0.380 59.334 59.018 -0.107 0.000 1.735 26 C CB -1.047 26.658 27.740 -0.058 0.000 1.992 26 C HN 0.513 nan 8.230 nan 0.000 0.493 27 M N 1.039 120.515 119.600 -0.206 0.000 2.132 27 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 27 M C 2.175 178.290 176.300 -0.308 0.000 1.065 27 M CA 1.431 56.594 55.300 -0.229 0.000 1.122 27 M CB -1.404 31.041 32.600 -0.259 0.000 1.365 27 M HN 0.451 nan 8.290 nan 0.000 0.411 28 K N 0.308 120.419 120.400 -0.482 0.000 2.057 28 K HA -0.115 4.204 4.320 -0.000 0.000 0.207 28 K C 1.949 178.418 176.600 -0.218 0.000 1.049 28 K CA 1.634 57.684 56.287 -0.396 0.000 0.931 28 K CB -0.021 32.201 32.500 -0.464 0.000 0.714 28 K HN 0.210 nan 8.250 nan 0.000 0.440 29 A N 1.035 123.733 122.820 -0.204 0.000 1.898 29 A HA -0.059 4.260 4.320 -0.000 0.000 0.216 29 A C 2.354 179.799 177.584 -0.233 0.000 1.181 29 A CA 1.746 53.681 52.037 -0.169 0.000 0.620 29 A CB -0.860 18.054 19.000 -0.144 0.000 0.819 29 A HN 0.493 nan 8.150 nan 0.000 0.442 30 A N 0.078 122.694 122.820 -0.341 0.000 1.883 30 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 30 A C 2.056 179.327 177.584 -0.523 0.000 1.186 30 A CA 1.728 53.414 52.037 -0.585 0.000 0.624 30 A CB -0.536 17.808 19.000 -1.093 0.000 0.822 30 A HN 0.412 nan 8.150 nan 0.000 0.444 31 I N -0.010 120.357 120.570 -0.340 0.000 2.179 31 I HA -0.217 3.952 4.170 -0.000 0.000 0.242 31 I C 2.328 178.395 176.117 -0.084 0.000 1.088 31 I CA 1.747 62.968 61.300 -0.130 0.000 1.357 31 I CB -1.502 36.498 38.000 -0.000 0.000 1.051 31 I HN 0.482 nan 8.210 nan 0.000 0.409 32 E N 0.043 120.193 120.200 -0.083 0.000 2.204 32 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 32 E C 1.784 178.354 176.600 -0.050 0.000 0.990 32 E CA 0.700 57.076 56.400 -0.040 0.000 0.821 32 E CB 0.032 29.714 29.700 -0.031 0.000 0.750 32 E HN 0.201 nan 8.360 nan 0.000 0.477 33 L N 0.328 121.492 121.223 -0.098 0.000 2.558 33 L HA 0.021 4.361 4.340 -0.000 0.000 0.225 33 L C -0.024 176.828 176.870 -0.030 0.000 1.128 33 L CA 0.917 55.709 54.840 -0.080 0.000 0.868 33 L CB -0.297 41.681 42.059 -0.136 0.000 1.006 33 L HN 0.026 nan 8.230 nan 0.000 0.454 34 D N -2.424 117.946 120.400 -0.050 0.000 3.012 34 D HA -0.252 4.387 4.640 -0.000 0.000 0.222 34 D C 1.532 177.845 176.300 0.021 0.000 1.167 34 D CA 0.704 54.701 54.000 -0.004 0.000 0.854 34 D CB -0.996 39.842 40.800 0.064 0.000 1.107 34 D HN 0.157 nan 8.370 nan 0.000 0.421 35 L N -0.632 120.504 121.223 -0.146 0.000 2.042 35 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 35 L C 1.857 178.696 176.870 -0.052 0.000 1.076 35 L CA 1.909 56.653 54.840 -0.160 0.000 0.749 35 L CB -0.428 41.389 42.059 -0.404 0.000 0.893 35 L HN 0.162 nan 8.230 nan 0.000 0.432 36 F N -0.903 119.065 119.950 0.030 0.000 2.146 36 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 36 F C 2.988 178.806 175.800 0.029 0.000 1.096 36 F CA 1.272 59.293 58.000 0.035 0.000 1.275 36 F CB -1.604 37.424 39.000 0.047 0.000 1.008 36 F HN 0.181 nan 8.300 nan 0.000 0.480 37 S N -0.894 114.906 115.700 0.167 0.000 2.383 37 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 37 S C 1.896 176.464 174.600 -0.053 0.000 1.030 37 S CA 1.682 59.889 58.200 0.012 0.000 1.002 37 S CB -0.464 62.670 63.200 -0.110 0.000 0.829 37 S HN 0.530 nan 8.310 nan 0.000 0.467 38 H N -0.149 118.959 119.070 0.062 0.000 2.436 38 H HA 0.242 4.797 4.556 -0.001 0.000 0.294 38 H C 2.050 177.418 175.328 0.067 0.000 1.048 38 H CA 1.534 57.610 56.048 0.045 0.000 1.353 38 H CB -0.018 29.752 29.762 0.013 0.000 1.414 38 H HN 0.381 nan 8.280 nan 0.000 0.536 39 M N -0.410 119.315 119.600 0.208 0.000 2.506 39 M HA 0.064 4.543 4.480 -0.000 0.000 0.260 39 M C 2.383 178.774 176.300 0.152 0.000 1.104 39 M CA 0.605 56.015 55.300 0.184 0.000 1.112 39 M CB 0.285 33.014 32.600 0.215 0.000 1.401 39 M HN 0.317 nan 8.290 nan 0.000 0.473 40 A N 0.646 123.547 122.820 0.135 0.000 2.019 40 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 40 A C 1.938 179.566 177.584 0.074 0.000 1.164 40 A CA 1.273 53.366 52.037 0.095 0.000 0.644 40 A CB -0.394 18.649 19.000 0.072 0.000 0.805 40 A HN 0.399 nan 8.150 nan 0.000 0.449 41 E N -0.442 119.805 120.200 0.078 0.000 2.118 41 E HA 0.118 4.468 4.350 -0.000 0.000 0.195 41 E C 1.164 177.805 176.600 0.069 0.000 0.992 41 E CA 1.034 57.474 56.400 0.067 0.000 0.804 41 E CB -0.397 29.349 29.700 0.078 0.000 0.741 41 E HN 0.741 nan 8.360 nan 0.000 0.458 42 G N 0.403 109.254 108.800 0.086 0.000 2.359 42 G HA2 0.068 4.028 3.960 -0.000 0.000 0.314 42 G HA3 0.068 4.028 3.960 -0.000 0.000 0.314 42 G C -2.971 171.989 174.900 0.100 0.000 1.364 42 G CA -1.119 44.031 45.100 0.083 0.000 0.978 42 G HN -0.172 nan 8.290 nan 0.000 0.615 43 P HA 0.218 nan 4.420 nan 0.000 0.263 43 P C -0.433 176.934 177.300 0.111 0.000 1.168 43 P CA 0.713 63.877 63.100 0.106 0.000 0.759 43 P CB 0.284 32.026 31.700 0.071 0.000 0.782 44 K N 1.637 122.129 120.400 0.152 0.000 2.527 44 K HA 0.287 4.606 4.320 -0.000 0.000 0.260 44 K C -0.759 175.964 176.600 0.206 0.000 0.937 44 K CA -0.948 55.425 56.287 0.143 0.000 0.826 44 K CB 1.776 34.352 32.500 0.127 0.000 1.359 44 K HN 0.411 nan 8.250 nan 0.000 0.434 45 D N 0.783 121.280 120.400 0.161 0.000 2.411 45 D HA 0.051 4.691 4.640 -0.000 0.000 0.251 45 D C 1.056 177.500 176.300 0.241 0.000 1.201 45 D CA -0.594 53.529 54.000 0.205 0.000 0.996 45 D CB 0.657 41.523 40.800 0.110 0.000 1.101 45 D HN 0.390 nan 8.370 nan 0.000 0.504 46 L N -0.188 121.201 121.223 0.277 0.000 2.012 46 L HA -0.214 4.125 4.340 -0.000 0.000 0.210 46 L C 2.257 179.164 176.870 0.061 0.000 1.073 46 L CA 1.976 56.916 54.840 0.166 0.000 0.748 46 L CB -0.641 41.528 42.059 0.184 0.000 0.891 46 L HN 0.636 nan 8.230 nan 0.000 0.431 47 A N -1.069 121.788 122.820 0.062 0.000 1.978 47 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 47 A C 2.162 179.750 177.584 0.006 0.000 1.170 47 A CA 2.277 54.329 52.037 0.025 0.000 0.636 47 A CB -0.768 18.249 19.000 0.028 0.000 0.810 47 A HN 0.512 nan 8.150 nan 0.000 0.448 48 T N 0.148 114.715 114.554 0.021 0.000 2.809 48 T HA 0.018 4.368 4.350 -0.000 0.000 0.260 48 T C 1.798 176.475 174.700 -0.038 0.000 1.039 48 T CA 1.242 63.344 62.100 0.003 0.000 1.141 48 T CB -0.325 68.563 68.868 0.033 0.000 0.869 48 T HN 0.356 nan 8.240 nan 0.000 0.437 49 L N 0.893 122.099 121.223 -0.030 0.000 2.131 49 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 49 L C 2.968 179.756 176.870 -0.138 0.000 1.092 49 L CA 1.000 55.785 54.840 -0.091 0.000 0.759 49 L CB -0.600 41.411 42.059 -0.080 0.000 0.903 49 L HN 0.251 nan 8.230 nan 0.000 0.435 50 A N -0.061 122.701 122.820 -0.098 0.000 1.898 50 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 50 A C 2.532 180.052 177.584 -0.106 0.000 1.181 50 A CA 1.527 53.505 52.037 -0.099 0.000 0.620 50 A CB -0.563 18.399 19.000 -0.064 0.000 0.819 50 A HN 0.374 nan 8.150 nan 0.000 0.442 51 A N 1.259 124.024 122.820 -0.092 0.000 1.873 51 A HA -0.141 4.178 4.320 -0.000 0.000 0.215 51 A C 1.656 179.157 177.584 -0.137 0.000 1.186 51 A CA 1.913 53.898 52.037 -0.085 0.000 0.616 51 A CB -0.757 18.211 19.000 -0.054 0.000 0.823 51 A HN 0.631 nan 8.150 nan 0.000 0.442 52 D N -0.598 119.672 120.400 -0.216 0.000 2.348 52 D HA -0.086 4.553 4.640 -0.000 0.000 0.216 52 D C 1.400 177.381 176.300 -0.533 0.000 0.970 52 D CA 1.504 55.278 54.000 -0.377 0.000 0.889 52 D CB -0.769 39.752 40.800 -0.465 0.000 0.912 52 D HN 0.476 nan 8.370 nan 0.000 0.524 53 T N -4.578 109.755 114.554 -0.368 0.000 3.040 53 T HA 0.377 4.726 4.350 -0.000 0.000 0.250 53 T C 1.659 176.289 174.700 -0.117 0.000 1.058 53 T CA 0.028 61.992 62.100 -0.228 0.000 0.988 53 T CB -0.066 68.697 68.868 -0.175 0.000 0.993 53 T HN 0.360 nan 8.240 nan 0.000 0.519 54 G N 1.383 110.119 108.800 -0.106 0.000 2.225 54 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.264 54 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.264 54 G C -0.047 174.816 174.900 -0.061 0.000 1.060 54 G CA 0.121 45.182 45.100 -0.066 0.000 0.833 54 G HN 0.833 nan 8.290 nan 0.000 0.498 55 S N -1.606 114.049 115.700 -0.073 0.000 2.664 55 S HA 0.759 5.229 4.470 -0.000 0.000 0.304 55 S C 0.322 174.887 174.600 -0.057 0.000 1.099 55 S CA -0.257 57.902 58.200 -0.068 0.000 1.003 55 S CB 2.444 65.591 63.200 -0.089 0.000 1.092 55 S HN 1.650 nan 8.310 nan 0.000 0.525 56 V N 0.824 120.709 119.914 -0.049 0.000 2.432 56 V HA 0.348 4.468 4.120 -0.000 0.000 0.271 56 V C -2.160 173.909 176.094 -0.042 0.000 1.046 56 V CA -1.578 60.700 62.300 -0.038 0.000 0.945 56 V CB 0.685 32.491 31.823 -0.029 0.000 0.992 56 V HN 0.565 nan 8.190 nan 0.000 0.471 57 P HA -0.139 nan 4.420 nan 0.000 0.216 57 P C -1.350 175.935 177.300 -0.025 0.000 1.167 57 P CA 2.570 65.652 63.100 -0.029 0.000 0.914 57 P CB -1.076 30.618 31.700 -0.010 0.000 0.793 58 P HA -0.096 nan 4.420 nan 0.000 0.222 58 P C 1.263 178.550 177.300 -0.022 0.000 1.147 58 P CA 1.555 64.651 63.100 -0.007 0.000 0.790 58 P CB -0.212 31.488 31.700 0.001 0.000 0.780 59 R N -0.511 119.969 120.500 -0.034 0.000 2.090 59 R HA 0.060 4.400 4.340 -0.000 0.000 0.228 59 R C 2.599 178.856 176.300 -0.071 0.000 1.110 59 R CA 0.589 56.663 56.100 -0.044 0.000 0.973 59 R CB -0.942 29.332 30.300 -0.042 0.000 0.869 59 R HN 0.199 nan 8.270 nan 0.000 0.440 60 L N 1.290 122.460 121.223 -0.088 0.000 2.046 60 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 60 L C 2.353 179.114 176.870 -0.183 0.000 1.077 60 L CA 1.643 56.399 54.840 -0.140 0.000 0.747 60 L CB -0.299 41.670 42.059 -0.150 0.000 0.896 60 L HN 0.302 nan 8.230 nan 0.000 0.432 61 E N -0.188 119.932 120.200 -0.133 0.000 2.130 61 E HA -0.286 4.063 4.350 -0.000 0.000 0.196 61 E C 2.213 178.750 176.600 -0.104 0.000 0.998 61 E CA 1.683 58.011 56.400 -0.120 0.000 0.806 61 E CB -0.038 29.673 29.700 0.018 0.000 0.738 61 E HN 0.549 nan 8.360 nan 0.000 0.459 62 M N -0.061 119.497 119.600 -0.070 0.000 2.254 62 M HA -0.104 4.376 4.480 -0.000 0.000 0.265 62 M C 2.343 178.596 176.300 -0.079 0.000 1.066 62 M CA 0.586 55.858 55.300 -0.045 0.000 1.123 62 M CB -0.172 32.411 32.600 -0.027 0.000 1.388 62 M HN 0.191 nan 8.290 nan 0.000 0.425 63 L N 0.903 122.049 121.223 -0.128 0.000 2.056 63 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 63 L C 2.061 178.809 176.870 -0.203 0.000 1.078 63 L CA 1.685 56.437 54.840 -0.146 0.000 0.749 63 L CB -0.649 41.307 42.059 -0.172 0.000 0.901 63 L HN 0.129 nan 8.230 nan 0.000 0.433 64 L N -0.018 120.990 121.223 -0.359 0.000 2.017 64 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 64 L C 2.677 179.346 176.870 -0.334 0.000 1.073 64 L CA 1.922 56.382 54.840 -0.633 0.000 0.745 64 L CB -1.574 39.577 42.059 -1.513 0.000 0.894 64 L HN 0.457 nan 8.230 nan 0.000 0.432 65 E N -0.427 119.712 120.200 -0.103 0.000 2.058 65 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 65 E C 2.028 178.689 176.600 0.101 0.000 0.997 65 E CA 2.180 58.686 56.400 0.177 0.000 0.801 65 E CB -0.316 29.477 29.700 0.155 0.000 0.746 65 E HN 0.424 nan 8.360 nan 0.000 0.450 66 T N 0.776 115.344 114.554 0.023 0.000 2.833 66 T HA -0.093 4.257 4.350 -0.000 0.000 0.269 66 T C 1.426 176.147 174.700 0.036 0.000 1.054 66 T CA 0.997 63.111 62.100 0.023 0.000 1.135 66 T CB -0.159 68.707 68.868 -0.004 0.000 0.869 66 T HN 0.060 nan 8.240 nan 0.000 0.466 67 L N 0.871 122.107 121.223 0.022 0.000 2.217 67 L HA 0.193 4.532 4.340 -0.000 0.000 0.211 67 L C 2.426 179.366 176.870 0.117 0.000 1.107 67 L CA 1.258 56.130 54.840 0.053 0.000 0.783 67 L CB -0.909 41.167 42.059 0.028 0.000 0.919 67 L HN 0.148 nan 8.230 nan 0.000 0.442 68 R N -0.568 120.034 120.500 0.169 0.000 2.066 68 R HA -0.156 4.183 4.340 -0.000 0.000 0.232 68 R C 2.060 178.443 176.300 0.138 0.000 1.131 68 R CA 1.372 57.611 56.100 0.232 0.000 0.955 68 R CB 0.010 30.524 30.300 0.356 0.000 0.851 68 R HN 0.458 nan 8.270 nan 0.000 0.432 69 Q N -0.433 119.430 119.800 0.105 0.000 2.291 69 Q HA -0.099 4.240 4.340 -0.000 0.000 0.205 69 Q C 1.779 177.808 176.000 0.049 0.000 0.970 69 Q CA 1.207 57.048 55.803 0.064 0.000 0.876 69 Q CB 0.063 28.828 28.738 0.046 0.000 0.935 69 Q HN 0.383 nan 8.270 nan 0.000 0.455 70 M N -0.102 119.532 119.600 0.057 0.000 2.618 70 M HA 0.048 4.528 4.480 -0.000 0.000 0.240 70 M C -0.361 175.968 176.300 0.048 0.000 1.123 70 M CA 0.341 55.667 55.300 0.044 0.000 1.060 70 M CB 0.531 33.160 32.600 0.049 0.000 1.535 70 M HN -0.036 nan 8.290 nan 0.000 0.507 71 R N -0.384 120.158 120.500 0.071 0.000 3.261 71 R HA -0.139 4.201 4.340 -0.000 0.000 0.257 71 R C 0.097 176.480 176.300 0.138 0.000 1.014 71 R CA 0.228 56.376 56.100 0.079 0.000 0.681 71 R CB -2.675 27.639 30.300 0.023 0.000 1.155 71 R HN 0.281 nan 8.270 nan 0.000 0.424 72 V N -0.293 119.719 119.914 0.164 0.000 3.307 72 V HA 0.234 4.353 4.120 -0.000 0.000 0.244 72 V C 1.277 177.480 176.094 0.181 0.000 1.196 72 V CA 1.537 63.957 62.300 0.199 0.000 1.132 72 V CB 0.275 32.181 31.823 0.138 0.000 0.875 72 V HN 0.448 nan 8.190 nan 0.000 0.468 73 I N -2.989 117.701 120.570 0.199 0.000 3.145 73 I HA 0.676 4.846 4.170 -0.000 0.000 0.313 73 I C -1.193 175.073 176.117 0.249 0.000 1.122 73 I CA -0.822 60.620 61.300 0.237 0.000 0.987 73 I CB 2.375 40.549 38.000 0.290 0.000 1.236 73 I HN -0.123 nan 8.210 nan 0.000 0.453 74 N N 2.094 120.943 118.700 0.249 0.000 2.312 74 N HA 0.638 5.378 4.740 -0.000 0.000 0.296 74 N C -1.749 173.828 175.510 0.111 0.000 1.193 74 N CA -0.512 52.632 53.050 0.157 0.000 0.773 74 N CB 2.871 41.413 38.487 0.091 0.000 1.435 74 N HN 0.654 nan 8.380 nan 0.000 0.484 75 L N 0.620 121.770 121.223 -0.122 0.000 2.409 75 L HA 0.494 4.833 4.340 -0.000 0.000 0.272 75 L C -1.171 175.521 176.870 -0.297 0.000 0.980 75 L CA -0.375 54.180 54.840 -0.475 0.000 0.826 75 L CB 1.383 42.858 42.059 -0.974 0.000 1.268 75 L HN 0.557 nan 8.230 nan 0.000 0.407 76 E N 4.266 124.312 120.200 -0.257 0.000 2.287 76 E HA 0.185 4.535 4.350 -0.000 0.000 0.274 76 E C -1.362 175.149 176.600 -0.149 0.000 0.896 76 E CA -0.678 55.629 56.400 -0.155 0.000 0.788 76 E CB 1.619 31.270 29.700 -0.082 0.000 1.244 76 E HN 0.601 nan 8.360 nan 0.000 0.408 77 D N 2.120 122.443 120.400 -0.129 0.000 2.697 77 D HA -0.205 4.435 4.640 -0.000 0.000 0.235 77 D C 0.832 177.060 176.300 -0.120 0.000 1.167 77 D CA 1.647 55.587 54.000 -0.101 0.000 0.656 77 D CB -1.094 39.669 40.800 -0.062 0.000 1.025 77 D HN 1.052 nan 8.370 nan 0.000 0.419 78 G N -0.093 108.593 108.800 -0.190 0.000 2.212 78 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.267 78 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.267 78 G C 0.243 175.026 174.900 -0.194 0.000 1.002 78 G CA 1.007 45.984 45.100 -0.204 0.000 0.729 78 G HN 0.504 nan 8.290 nan 0.000 0.517 79 K N -0.709 119.564 120.400 -0.211 0.000 2.358 79 K HA 0.445 4.765 4.320 -0.000 0.000 0.260 79 K C -0.572 175.956 176.600 -0.119 0.000 0.956 79 K CA -0.843 55.392 56.287 -0.087 0.000 0.834 79 K CB 1.128 33.617 32.500 -0.018 0.000 1.102 79 K HN 0.212 nan 8.250 nan 0.000 0.431 80 W N 1.793 123.113 121.300 0.034 0.000 2.365 80 W HA 0.300 4.960 4.660 0.000 0.000 0.316 80 W C 0.536 177.089 176.519 0.056 0.000 1.164 80 W CA -0.071 57.300 57.345 0.044 0.000 1.204 80 W CB 1.438 30.924 29.460 0.043 0.000 1.213 80 W HN 0.547 nan 8.180 nan 0.000 0.539 81 S N 1.690 117.579 115.700 0.314 0.000 2.607 81 S HA 0.618 5.087 4.470 -0.000 0.000 0.273 81 S C -1.387 173.338 174.600 0.210 0.000 1.148 81 S CA -1.054 57.276 58.200 0.217 0.000 0.833 81 S CB 1.082 64.367 63.200 0.141 0.000 1.130 81 S HN 0.205 nan 8.310 nan 0.000 0.470 82 L N 1.960 123.285 121.223 0.171 0.000 2.439 82 L HA 0.479 4.819 4.340 -0.000 0.000 0.269 82 L C 1.249 178.197 176.870 0.131 0.000 1.179 82 L CA 0.557 55.486 54.840 0.147 0.000 0.828 82 L CB 0.850 42.973 42.059 0.107 0.000 1.106 82 L HN 1.025 nan 8.230 nan 0.000 0.467 83 T N 1.019 115.653 114.554 0.135 0.000 2.788 83 T HA 0.045 4.394 4.350 -0.000 0.000 0.287 83 T C 1.273 176.062 174.700 0.148 0.000 1.007 83 T CA -0.200 61.990 62.100 0.150 0.000 1.005 83 T CB 0.581 69.567 68.868 0.198 0.000 1.012 83 T HN 0.731 nan 8.240 nan 0.000 0.530 84 E N 1.065 121.359 120.200 0.157 0.000 2.051 84 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 84 E C 1.716 178.448 176.600 0.220 0.000 0.991 84 E CA 1.161 57.658 56.400 0.162 0.000 0.799 84 E CB -0.219 29.559 29.700 0.131 0.000 0.748 84 E HN 0.694 nan 8.360 nan 0.000 0.449 85 F N 1.297 121.299 119.950 0.086 0.000 2.065 85 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 85 F C 1.993 177.890 175.800 0.161 0.000 1.112 85 F CA 1.957 60.020 58.000 0.106 0.000 1.212 85 F CB -0.853 38.200 39.000 0.088 0.000 0.975 85 F HN 0.053 nan 8.300 nan 0.000 0.476 86 A N -0.410 122.356 122.820 -0.090 0.000 1.930 86 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 86 A C 1.927 179.425 177.584 -0.144 0.000 1.175 86 A CA 1.867 53.744 52.037 -0.266 0.000 0.627 86 A CB -1.331 17.525 19.000 -0.239 0.000 0.815 86 A HN 0.559 nan 8.150 nan 0.000 0.443 87 D N -2.309 118.086 120.400 -0.008 0.000 2.144 87 D HA -0.193 4.447 4.640 -0.000 0.000 0.199 87 D C 1.635 177.947 176.300 0.020 0.000 0.984 87 D CA 1.318 55.333 54.000 0.026 0.000 0.834 87 D CB -0.193 40.652 40.800 0.075 0.000 0.955 87 D HN 0.543 nan 8.370 nan 0.000 0.465 88 Y N -0.634 119.631 120.300 -0.059 0.000 2.314 88 Y HA 0.056 4.606 4.550 -0.000 0.000 0.294 88 Y C 1.794 177.637 175.900 -0.096 0.000 1.119 88 Y CA 0.871 58.941 58.100 -0.051 0.000 1.179 88 Y CB 0.242 38.695 38.460 -0.012 0.000 1.025 88 Y HN 0.002 nan 8.280 nan 0.000 0.541 89 M N -2.252 117.294 119.600 -0.091 0.000 2.514 89 M HA 0.117 4.597 4.480 -0.000 0.000 0.258 89 M C 0.012 175.871 176.300 -0.735 0.000 1.159 89 M CA 0.885 55.958 55.300 -0.378 0.000 1.116 89 M CB -0.242 31.972 32.600 -0.644 0.000 1.333 89 M HN 0.206 nan 8.290 nan 0.000 0.487 90 F N -0.039 119.697 119.950 -0.357 0.000 2.815 90 F HA 0.204 4.731 4.527 -0.001 0.000 0.323 90 F C 1.199 176.877 175.800 -0.204 0.000 1.151 90 F CA -0.679 57.091 58.000 -0.384 0.000 1.191 90 F CB 0.213 38.778 39.000 -0.725 0.000 1.069 90 F HN -0.079 nan 8.300 nan 0.000 0.514 91 S N 0.974 116.704 115.700 0.051 0.000 2.681 91 S HA 0.360 4.830 4.470 -0.000 0.000 0.270 91 S C -1.377 173.338 174.600 0.191 0.000 1.209 91 S CA -1.071 57.196 58.200 0.110 0.000 0.988 91 S CB 1.328 64.556 63.200 0.047 0.000 1.006 91 S HN -0.067 nan 8.310 nan 0.000 0.558 92 P HA -0.006 nan 4.420 nan 0.000 0.215 92 P C 0.646 178.009 177.300 0.104 0.000 1.157 92 P CA 1.387 64.555 63.100 0.113 0.000 0.863 92 P CB -0.790 30.936 31.700 0.044 0.000 0.787 93 T N -1.956 112.589 114.554 -0.015 0.000 2.829 93 T HA 0.449 4.799 4.350 -0.000 0.000 0.282 93 T C -2.647 171.785 174.700 -0.448 0.000 0.990 93 T CA -2.609 59.386 62.100 -0.175 0.000 1.028 93 T CB 1.228 70.016 68.868 -0.134 0.000 0.951 93 T HN -0.033 nan 8.240 nan 0.000 0.460 94 P HA 0.182 nan 4.420 nan 0.000 0.268 94 P C 0.212 177.192 177.300 -0.535 0.000 1.204 94 P CA -0.408 62.071 63.100 -1.035 0.000 0.768 94 P CB 0.960 32.143 31.700 -0.861 0.000 0.842 95 K N 1.364 121.423 120.400 -0.568 0.000 2.137 95 K HA 0.046 4.365 4.320 -0.000 0.000 0.202 95 K C 0.847 177.221 176.600 -0.377 0.000 1.052 95 K CA 1.026 57.005 56.287 -0.513 0.000 0.961 95 K CB 0.209 32.191 32.500 -0.864 0.000 0.741 95 K HN 0.572 nan 8.250 nan 0.000 0.452 96 E N 1.476 121.449 120.200 -0.380 0.000 2.176 96 E HA 0.128 4.478 4.350 -0.000 0.000 0.267 96 E C -1.954 174.543 176.600 -0.171 0.000 0.893 96 E CA -2.241 54.060 56.400 -0.165 0.000 0.761 96 E CB 1.892 31.585 29.700 -0.011 0.000 1.133 96 E HN -0.182 nan 8.360 nan 0.000 0.409 97 P HA -0.092 nan 4.420 nan 0.000 0.222 97 P C -0.085 177.171 177.300 -0.075 0.000 1.147 97 P CA 1.105 64.131 63.100 -0.123 0.000 0.790 97 P CB 0.218 31.860 31.700 -0.096 0.000 0.780 98 N N -0.818 117.838 118.700 -0.074 0.000 2.238 98 N HA 0.204 4.944 4.740 -0.000 0.000 0.222 98 N C -0.307 175.168 175.510 -0.060 0.000 1.133 98 N CA -0.168 52.844 53.050 -0.062 0.000 0.854 98 N CB 0.249 38.680 38.487 -0.094 0.000 1.041 98 N HN 0.020 nan 8.380 nan 0.000 0.510 99 L N 0.742 121.952 121.223 -0.022 0.000 2.529 99 L HA 0.367 4.707 4.340 -0.000 0.000 0.258 99 L C -1.731 175.196 176.870 0.095 0.000 1.032 99 L CA -0.485 54.377 54.840 0.036 0.000 0.899 99 L CB 0.461 42.554 42.059 0.056 0.000 1.174 99 L HN 0.133 nan 8.230 nan 0.000 0.458 100 H N 2.426 121.447 119.070 -0.082 0.000 3.099 100 H HA 0.197 4.753 4.556 -0.001 0.000 0.342 100 H C -0.757 174.445 175.328 -0.209 0.000 1.054 100 H CA -0.344 55.604 56.048 -0.166 0.000 1.328 100 H CB 2.128 31.800 29.762 -0.149 0.000 1.876 100 H HN 0.595 nan 8.280 nan 0.000 0.495 101 Q N 2.125 121.524 119.800 -0.668 0.000 2.384 101 Q HA 0.079 4.419 4.340 -0.000 0.000 0.207 101 Q C 1.308 176.953 176.000 -0.592 0.000 0.904 101 Q CA 0.974 56.378 55.803 -0.665 0.000 0.933 101 Q CB 0.583 28.681 28.738 -1.067 0.000 1.077 101 Q HN 0.738 nan 8.270 nan 0.000 0.522 102 T N 1.312 115.388 114.554 -0.798 0.000 2.607 102 T HA -0.154 4.195 4.350 -0.000 0.000 0.267 102 T C -1.068 173.550 174.700 -0.137 0.000 1.049 102 T CA 1.861 63.747 62.100 -0.356 0.000 1.162 102 T CB -1.149 67.490 68.868 -0.381 0.000 0.863 102 T HN 0.306 nan 8.240 nan 0.000 0.424 103 P HA -0.034 nan 4.420 nan 0.000 0.215 103 P C 1.727 179.011 177.300 -0.027 0.000 1.153 103 P CA 0.498 63.559 63.100 -0.065 0.000 0.853 103 P CB -0.183 31.474 31.700 -0.072 0.000 0.788 104 V N -0.656 119.251 119.914 -0.011 0.000 2.667 104 V HA -0.126 3.993 4.120 -0.000 0.000 0.252 104 V C 2.109 178.297 176.094 0.157 0.000 1.065 104 V CA 1.913 64.259 62.300 0.078 0.000 1.083 104 V CB -1.288 30.603 31.823 0.112 0.000 0.692 104 V HN 0.027 nan 8.190 nan 0.000 0.468 105 A N -0.232 122.679 122.820 0.152 0.000 1.877 105 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 105 A C 2.218 179.941 177.584 0.232 0.000 1.186 105 A CA 2.018 54.209 52.037 0.257 0.000 0.620 105 A CB -0.483 18.734 19.000 0.363 0.000 0.822 105 A HN 0.562 nan 8.150 nan 0.000 0.443 106 K N -0.318 120.188 120.400 0.178 0.000 2.063 106 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 106 K C 2.282 179.031 176.600 0.248 0.000 1.048 106 K CA 1.229 57.625 56.287 0.182 0.000 0.928 106 K CB -0.326 32.255 32.500 0.135 0.000 0.713 106 K HN 0.455 nan 8.250 nan 0.000 0.442 107 A N 1.016 123.981 122.820 0.240 0.000 1.898 107 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 107 A C 2.081 179.900 177.584 0.392 0.000 1.181 107 A CA 1.286 53.514 52.037 0.318 0.000 0.620 107 A CB -0.295 18.858 19.000 0.255 0.000 0.819 107 A HN 0.120 nan 8.150 nan 0.000 0.442 108 M N -0.296 119.530 119.600 0.376 0.000 2.229 108 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 108 M C 2.468 179.101 176.300 0.555 0.000 1.063 108 M CA 1.399 56.979 55.300 0.467 0.000 1.114 108 M CB -1.565 31.322 32.600 0.477 0.000 1.387 108 M HN 0.484 nan 8.290 nan 0.000 0.420 109 A N -0.216 122.876 122.820 0.454 0.000 1.902 109 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 109 A C 2.143 179.930 177.584 0.337 0.000 1.181 109 A CA 1.466 53.724 52.037 0.367 0.000 0.623 109 A CB -1.053 18.060 19.000 0.188 0.000 0.818 109 A HN 0.438 nan 8.150 nan 0.000 0.443 110 F N 0.366 120.445 119.950 0.215 0.000 2.146 110 F HA -0.050 4.476 4.527 -0.001 0.000 0.298 110 F C 1.863 177.772 175.800 0.181 0.000 1.096 110 F CA 1.530 59.629 58.000 0.165 0.000 1.275 110 F CB -0.185 38.894 39.000 0.132 0.000 1.008 110 F HN 0.119 nan 8.300 nan 0.000 0.480 111 L N -0.070 121.354 121.223 0.336 0.000 2.131 111 L HA -0.174 4.165 4.340 -0.000 0.000 0.210 111 L C 2.768 179.709 176.870 0.118 0.000 1.092 111 L CA 0.877 55.827 54.840 0.183 0.000 0.759 111 L CB -1.142 41.056 42.059 0.232 0.000 0.903 111 L HN 0.270 nan 8.230 nan 0.000 0.435 112 A N 0.183 123.183 122.820 0.300 0.000 1.865 112 A HA -0.259 4.060 4.320 -0.000 0.000 0.217 112 A C 1.993 179.640 177.584 0.105 0.000 1.191 112 A CA 2.187 54.398 52.037 0.290 0.000 0.623 112 A CB -0.530 18.677 19.000 0.345 0.000 0.826 112 A HN 0.356 nan 8.150 nan 0.000 0.444 113 D N -0.722 119.682 120.400 0.008 0.000 2.097 113 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 113 D C 1.655 177.857 176.300 -0.163 0.000 0.984 113 D CA 1.707 55.652 54.000 -0.091 0.000 0.826 113 D CB -0.519 40.185 40.800 -0.159 0.000 0.973 113 D HN 0.556 nan 8.370 nan 0.000 0.460 114 D N -1.535 118.680 120.400 -0.308 0.000 2.178 114 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 114 D C 1.369 177.668 176.300 -0.000 0.000 0.974 114 D CA 0.864 54.702 54.000 -0.270 0.000 0.841 114 D CB 0.188 40.674 40.800 -0.524 0.000 0.953 114 D HN 0.197 nan 8.370 nan 0.000 0.478 115 F N -2.220 117.621 119.950 -0.181 0.000 2.157 115 F HA 0.155 4.682 4.527 -0.001 0.000 0.277 115 F C 1.191 176.905 175.800 -0.144 0.000 0.904 115 F CA -0.358 57.548 58.000 -0.157 0.000 1.121 115 F CB -0.226 38.684 39.000 -0.149 0.000 1.195 115 F HN -0.186 nan 8.300 nan 0.000 0.726 116 Y N 0.495 120.840 120.300 0.076 0.000 2.193 116 Y HA -0.284 4.266 4.550 0.000 0.000 0.285 116 Y C 2.298 178.074 175.900 -0.207 0.000 1.166 116 Y CA 1.307 59.344 58.100 -0.106 0.000 1.181 116 Y CB -0.374 38.079 38.460 -0.012 0.000 0.976 116 Y HN 0.068 nan 8.280 nan 0.000 0.520 117 M N -0.800 118.792 119.600 -0.013 0.000 2.460 117 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 117 M C 1.758 177.982 176.300 -0.125 0.000 1.071 117 M CA 1.062 56.328 55.300 -0.056 0.000 1.096 117 M CB -1.183 31.398 32.600 -0.032 0.000 1.408 117 M HN 0.298 nan 8.290 nan 0.000 0.463 118 G N -0.821 107.849 108.800 -0.217 0.000 3.523 118 G HA2 0.236 4.196 3.960 -0.000 0.000 0.270 118 G HA3 0.236 4.196 3.960 -0.000 0.000 0.270 118 G C 1.205 175.894 174.900 -0.352 0.000 1.134 118 G CA -0.185 44.770 45.100 -0.242 0.000 0.825 118 G HN 0.257 nan 8.290 nan 0.000 0.534 119 L N 2.004 123.001 121.223 -0.378 0.000 2.043 119 L HA -0.148 4.191 4.340 -0.000 0.000 0.212 119 L C 3.061 179.814 176.870 -0.194 0.000 1.075 119 L CA 2.570 57.192 54.840 -0.364 0.000 0.752 119 L CB -0.613 41.321 42.059 -0.208 0.000 0.891 119 L HN 0.351 nan 8.230 nan 0.000 0.432 120 S N -1.407 114.212 115.700 -0.136 0.000 2.370 120 S HA -0.305 4.165 4.470 -0.000 0.000 0.226 120 S C 1.854 176.405 174.600 -0.082 0.000 1.033 120 S CA 1.465 59.612 58.200 -0.088 0.000 1.011 120 S CB -0.761 62.396 63.200 -0.072 0.000 0.852 120 S HN 0.672 nan 8.310 nan 0.000 0.457 121 Q N 1.395 121.136 119.800 -0.098 0.000 2.124 121 Q HA 0.056 4.396 4.340 -0.000 0.000 0.202 121 Q C 2.649 178.612 176.000 -0.062 0.000 0.977 121 Q CA 1.409 57.167 55.803 -0.074 0.000 0.850 121 Q CB -0.598 28.093 28.738 -0.078 0.000 0.901 121 Q HN 0.773 nan 8.270 nan 0.000 0.429 122 A N 0.519 123.281 122.820 -0.096 0.000 1.877 122 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 122 A C 2.358 179.941 177.584 -0.002 0.000 1.186 122 A CA 1.435 53.457 52.037 -0.025 0.000 0.620 122 A CB -0.844 18.131 19.000 -0.042 0.000 0.822 122 A HN 0.218 nan 8.150 nan 0.000 0.443 123 V N 0.098 119.997 119.914 -0.026 0.000 2.469 123 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 123 V C 2.316 178.403 176.094 -0.012 0.000 1.064 123 V CA 2.153 64.446 62.300 -0.012 0.000 1.066 123 V CB -0.856 30.955 31.823 -0.020 0.000 0.667 123 V HN 0.512 nan 8.190 nan 0.000 0.461 124 R N -0.170 120.318 120.500 -0.019 0.000 2.320 124 R HA 0.224 4.564 4.340 -0.000 0.000 0.211 124 R C 1.676 177.969 176.300 -0.011 0.000 0.931 124 R CA 0.615 56.706 56.100 -0.015 0.000 1.071 124 R CB -0.030 30.258 30.300 -0.020 0.000 1.025 124 R HN 0.582 nan 8.270 nan 0.000 0.495 125 G N 1.190 109.986 108.800 -0.007 0.000 2.168 125 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.263 125 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.263 125 G C 0.674 175.570 174.900 -0.006 0.000 0.977 125 G CA 0.383 45.480 45.100 -0.005 0.000 0.659 125 G HN 0.438 nan 8.290 nan 0.000 0.533 126 Q N -0.615 119.180 119.800 -0.009 0.000 2.451 126 Q HA 0.203 4.543 4.340 -0.000 0.000 0.206 126 Q C 0.979 176.976 176.000 -0.005 0.000 0.947 126 Q CA 1.078 56.875 55.803 -0.011 0.000 0.937 126 Q CB 0.424 29.151 28.738 -0.019 0.000 1.025 126 Q HN 0.562 nan 8.270 nan 0.000 0.511 127 K N 0.263 120.669 120.400 0.009 0.000 2.546 127 K HA 0.320 4.640 4.320 -0.000 0.000 0.264 127 K C -1.731 174.924 176.600 0.092 0.000 0.937 127 K CA -0.429 55.878 56.287 0.034 0.000 0.833 127 K CB 1.704 34.211 32.500 0.012 0.000 1.378 127 K HN -0.044 nan 8.250 nan 0.000 0.432 128 N N 1.774 120.538 118.700 0.106 0.000 2.335 128 N HA 0.332 5.072 4.740 -0.000 0.000 0.304 128 N C -1.378 174.250 175.510 0.197 0.000 1.135 128 N CA -0.805 52.327 53.050 0.136 0.000 0.817 128 N CB 1.523 40.033 38.487 0.038 0.000 1.294 128 N HN 0.343 nan 8.380 nan 0.000 0.497 129 F N 1.665 121.634 119.950 0.033 0.000 2.484 129 F HA 0.154 4.682 4.527 0.001 0.000 0.360 129 F C 1.092 176.840 175.800 -0.086 0.000 1.101 129 F CA 0.676 58.566 58.000 -0.182 0.000 1.251 129 F CB 0.818 39.518 39.000 -0.500 0.000 1.132 129 F HN 0.500 nan 8.300 nan 0.000 0.570 130 K N 3.786 123.485 120.400 -1.169 0.000 2.625 130 K HA 0.356 4.676 4.320 -0.000 0.000 0.202 130 K C 0.564 176.520 176.600 -1.074 0.000 1.412 130 K CA 0.594 56.369 56.287 -0.854 0.000 0.989 130 K CB 0.366 32.672 32.500 -0.324 0.000 1.682 130 K HN 0.961 nan 8.250 nan 0.000 0.496 131 G N 2.311 110.694 108.800 -0.696 0.000 2.881 131 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.681 131 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.681 131 G C 0.198 175.097 174.900 -0.002 0.000 1.567 131 G CA 0.431 45.456 45.100 -0.124 0.000 1.013 131 G HN 0.470 nan 8.290 nan 0.000 0.580 132 Q N -1.085 118.715 119.800 -0.000 0.000 2.045 132 Q HA -0.134 4.206 4.340 -0.000 0.000 0.215 132 Q C 1.817 177.561 176.000 -0.427 0.000 1.026 132 Q CA 2.987 58.471 55.803 -0.532 0.000 0.885 132 Q CB -0.179 28.081 28.738 -0.796 0.000 0.984 132 Q HN 1.721 nan 8.270 nan 0.000 0.414 133 V N -1.596 118.097 119.914 -0.369 0.000 3.001 133 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 133 V C -2.736 173.411 176.094 0.088 0.000 1.099 133 V CA -2.364 59.778 62.300 -0.264 0.000 0.989 133 V CB 1.677 33.168 31.823 -0.553 0.000 1.040 133 V HN 0.079 nan 8.190 nan 0.000 0.434 134 P HA 0.334 nan 4.420 nan 0.000 0.275 134 P C -1.759 175.759 177.300 0.363 0.000 1.227 134 P CA 0.216 63.440 63.100 0.207 0.000 0.781 134 P CB 0.154 31.908 31.700 0.090 0.000 0.906 135 Y N 3.758 124.180 120.300 0.203 0.000 2.393 135 Y HA 0.488 5.038 4.550 -0.000 0.000 0.341 135 Y C -1.986 173.931 175.900 0.029 0.000 0.988 135 Y CA -2.339 55.777 58.100 0.027 0.000 1.078 135 Y CB 1.389 39.792 38.460 -0.096 0.000 1.203 135 Y HN 0.368 nan 8.280 nan 0.000 0.453 136 P HA 0.229 nan 4.420 nan 0.000 0.276 136 P C -2.891 174.172 177.300 -0.395 0.000 1.230 136 P CA -1.271 61.289 63.100 -0.900 0.000 0.776 136 P CB 0.903 32.303 31.700 -0.500 0.000 0.888 137 P HA -0.025 nan 4.420 nan 0.000 0.269 137 P C 0.344 177.619 177.300 -0.042 0.000 1.209 137 P CA -0.093 63.001 63.100 -0.010 0.000 0.776 137 P CB 1.202 33.006 31.700 0.172 0.000 0.876 138 V N 1.097 121.011 119.914 -0.001 0.000 2.911 138 V HA 0.032 4.152 4.120 -0.000 0.000 0.237 138 V C 1.383 177.480 176.094 0.006 0.000 1.156 138 V CA 1.120 63.415 62.300 -0.008 0.000 1.180 138 V CB -0.660 31.160 31.823 -0.005 0.000 0.932 138 V HN 0.554 nan 8.190 nan 0.000 0.483 139 T N 0.867 115.430 114.554 0.014 0.000 2.932 139 T HA 0.036 4.386 4.350 -0.000 0.000 0.312 139 T C 1.321 176.037 174.700 0.026 0.000 1.071 139 T CA 0.328 62.436 62.100 0.014 0.000 1.128 139 T CB 0.839 69.710 68.868 0.006 0.000 0.984 139 T HN 0.345 nan 8.240 nan 0.000 0.549 140 R N 2.098 122.609 120.500 0.019 0.000 2.080 140 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 140 R C 2.218 178.539 176.300 0.035 0.000 1.137 140 R CA 2.220 58.335 56.100 0.025 0.000 0.943 140 R CB -0.234 30.075 30.300 0.015 0.000 0.846 140 R HN 0.848 nan 8.270 nan 0.000 0.431 141 E N -0.138 120.076 120.200 0.024 0.000 2.160 141 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 141 E C 1.109 177.737 176.600 0.047 0.000 0.991 141 E CA 1.778 58.193 56.400 0.025 0.000 0.810 141 E CB 0.018 29.718 29.700 0.001 0.000 0.742 141 E HN 0.397 nan 8.360 nan 0.000 0.466 142 D N 0.055 120.486 120.400 0.051 0.000 2.123 142 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 142 D C 1.643 178.078 176.300 0.226 0.000 0.976 142 D CA 0.565 54.622 54.000 0.094 0.000 0.831 142 D CB -0.347 40.507 40.800 0.089 0.000 0.974 142 D HN 0.207 nan 8.370 nan 0.000 0.469 143 N N 0.558 119.360 118.700 0.170 0.000 2.120 143 N HA -0.095 4.644 4.740 -0.000 0.000 0.188 143 N C 2.025 177.632 175.510 0.162 0.000 1.024 143 N CA 0.379 53.538 53.050 0.181 0.000 0.852 143 N CB -0.122 38.420 38.487 0.092 0.000 1.003 143 N HN 0.194 nan 8.380 nan 0.000 0.424 144 L N 0.328 121.616 121.223 0.108 0.000 2.046 144 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 144 L C 2.443 179.351 176.870 0.064 0.000 1.077 144 L CA 1.266 56.149 54.840 0.071 0.000 0.747 144 L CB -0.432 41.658 42.059 0.051 0.000 0.896 144 L HN 0.216 nan 8.230 nan 0.000 0.432 145 Y N -0.067 120.196 120.300 -0.061 0.000 2.128 145 Y HA -0.338 4.212 4.550 0.000 0.000 0.284 145 Y C 2.128 177.910 175.900 -0.198 0.000 1.154 145 Y CA 1.985 59.983 58.100 -0.169 0.000 1.149 145 Y CB -0.494 37.784 38.460 -0.304 0.000 0.976 145 Y HN 0.052 nan 8.280 nan 0.000 0.505 146 F N 0.510 120.440 119.950 -0.033 0.000 2.206 146 F HA -0.110 4.416 4.527 -0.001 0.000 0.298 146 F C 2.335 177.841 175.800 -0.490 0.000 1.090 146 F CA 1.417 59.239 58.000 -0.296 0.000 1.323 146 F CB -0.450 38.489 39.000 -0.102 0.000 1.028 146 F HN 0.031 nan 8.300 nan 0.000 0.492 147 E N 0.321 120.496 120.200 -0.042 0.000 2.106 147 E HA -0.223 4.126 4.350 -0.000 0.000 0.192 147 E C 2.102 178.693 176.600 -0.014 0.000 0.984 147 E CA 0.945 57.344 56.400 -0.001 0.000 0.806 147 E CB -0.491 29.246 29.700 0.061 0.000 0.750 147 E HN 0.540 nan 8.360 nan 0.000 0.458 148 E N 0.470 120.632 120.200 -0.064 0.000 2.077 148 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 148 E C 2.163 178.736 176.600 -0.045 0.000 0.989 148 E CA 0.796 57.166 56.400 -0.051 0.000 0.800 148 E CB -0.049 29.603 29.700 -0.079 0.000 0.746 148 E HN 0.205 nan 8.360 nan 0.000 0.452 149 I N 0.069 120.566 120.570 -0.122 0.000 2.202 149 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 149 I C 2.217 178.422 176.117 0.146 0.000 1.091 149 I CA 1.302 62.582 61.300 -0.034 0.000 1.368 149 I CB -0.380 37.562 38.000 -0.097 0.000 1.058 149 I HN 0.241 nan 8.210 nan 0.000 0.410 150 H N 0.497 119.625 119.070 0.097 0.000 2.353 150 H HA -0.166 4.389 4.556 -0.000 0.000 0.300 150 H C 2.366 177.741 175.328 0.078 0.000 1.090 150 H CA 1.266 57.381 56.048 0.112 0.000 1.327 150 H CB -0.053 29.789 29.762 0.133 0.000 1.383 150 H HN 0.332 nan 8.280 nan 0.000 0.508 151 R N 0.511 121.121 120.500 0.184 0.000 2.189 151 R HA 0.019 4.358 4.340 -0.000 0.000 0.218 151 R C 1.621 177.961 176.300 0.068 0.000 1.074 151 R CA 1.226 57.387 56.100 0.100 0.000 0.991 151 R CB -0.100 30.239 30.300 0.065 0.000 0.883 151 R HN 0.000 nan 8.270 nan 0.000 0.457 152 S N 1.205 116.953 115.700 0.080 0.000 2.515 152 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 152 S C 0.799 175.440 174.600 0.068 0.000 0.987 152 S CA 1.071 59.312 58.200 0.067 0.000 0.936 152 S CB -0.282 62.959 63.200 0.069 0.000 0.766 152 S HN 0.783 nan 8.310 nan 0.000 0.528 153 N N -0.582 118.173 118.700 0.093 0.000 2.365 153 N HA 0.396 5.136 4.740 -0.000 0.000 0.257 153 N C 0.647 176.216 175.510 0.097 0.000 1.287 153 N CA 0.096 53.215 53.050 0.115 0.000 0.882 153 N CB 0.536 39.121 38.487 0.162 0.000 1.250 153 N HN 0.150 nan 8.380 nan 0.000 0.507 154 A N 0.736 123.574 122.820 0.029 0.000 2.195 154 A HA 0.040 4.360 4.320 -0.000 0.000 0.210 154 A C 2.080 179.574 177.584 -0.151 0.000 1.165 154 A CA 0.068 52.091 52.037 -0.024 0.000 0.806 154 A CB -0.270 18.728 19.000 -0.005 0.000 0.847 154 A HN 0.348 nan 8.150 nan 0.000 0.482 155 K N -0.201 120.055 120.400 -0.240 0.000 2.052 155 K HA -0.231 4.089 4.320 -0.000 0.000 0.215 155 K C 1.391 177.621 176.600 -0.616 0.000 1.053 155 K CA 2.253 58.266 56.287 -0.457 0.000 0.934 155 K CB -0.394 31.729 32.500 -0.629 0.000 0.717 155 K HN 0.460 nan 8.250 nan 0.000 0.450 156 F N 0.420 120.241 119.950 -0.215 0.000 2.259 156 F HA -0.035 4.491 4.527 -0.000 0.000 0.298 156 F C 2.484 178.016 175.800 -0.446 0.000 1.088 156 F CA 0.667 58.462 58.000 -0.341 0.000 1.358 156 F CB -0.254 38.638 39.000 -0.180 0.000 1.040 156 F HN 0.167 nan 8.300 nan 0.000 0.505 157 A N 0.607 123.114 122.820 -0.522 0.000 1.898 157 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 157 A C 2.184 179.665 177.584 -0.173 0.000 1.181 157 A CA 1.408 53.165 52.037 -0.465 0.000 0.620 157 A CB -0.960 17.871 19.000 -0.282 0.000 0.819 157 A HN 0.377 nan 8.150 nan 0.000 0.442 158 I N -1.071 119.397 120.570 -0.170 0.000 2.142 158 I HA -0.316 3.854 4.170 -0.000 0.000 0.240 158 I C 2.803 178.859 176.117 -0.101 0.000 1.078 158 I CA 1.867 63.099 61.300 -0.114 0.000 1.343 158 I CB -0.449 37.471 38.000 -0.133 0.000 1.046 158 I HN 0.395 nan 8.210 nan 0.000 0.405 159 Q N 0.484 120.188 119.800 -0.159 0.000 2.045 159 Q HA -0.278 4.062 4.340 -0.000 0.000 0.206 159 Q C 2.188 178.229 176.000 0.068 0.000 0.991 159 Q CA 2.094 57.827 55.803 -0.118 0.000 0.851 159 Q CB -0.331 28.228 28.738 -0.298 0.000 0.911 159 Q HN 0.339 nan 8.270 nan 0.000 0.418 160 L N -0.191 121.139 121.223 0.179 0.000 2.013 160 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 160 L C 1.931 178.869 176.870 0.113 0.000 1.073 160 L CA 1.683 56.666 54.840 0.238 0.000 0.753 160 L CB -0.813 41.384 42.059 0.229 0.000 0.890 160 L HN 0.336 nan 8.230 nan 0.000 0.432 161 L N -0.823 120.437 121.223 0.062 0.000 2.017 161 L HA -0.219 4.120 4.340 -0.000 0.000 0.208 161 L C 2.568 179.494 176.870 0.094 0.000 1.073 161 L CA 1.789 56.666 54.840 0.061 0.000 0.745 161 L CB -1.242 40.842 42.059 0.041 0.000 0.894 161 L HN 0.340 nan 8.230 nan 0.000 0.432 162 L N -0.889 120.355 121.223 0.035 0.000 2.083 162 L HA -0.220 4.119 4.340 -0.000 0.000 0.209 162 L C 2.298 179.153 176.870 -0.026 0.000 1.083 162 L CA 1.222 56.037 54.840 -0.042 0.000 0.752 162 L CB -0.399 41.503 42.059 -0.262 0.000 0.899 162 L HN 0.365 nan 8.230 nan 0.000 0.433 163 E N -0.629 119.583 120.200 0.021 0.000 2.230 163 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 163 E C 1.368 178.007 176.600 0.064 0.000 0.987 163 E CA 0.518 56.942 56.400 0.039 0.000 0.841 163 E CB 0.341 30.089 29.700 0.080 0.000 0.783 163 E HN 0.380 nan 8.360 nan 0.000 0.481 164 E N -0.326 119.923 120.200 0.083 0.000 2.572 164 E HA 0.194 4.544 4.350 -0.000 0.000 0.220 164 E C -0.068 176.582 176.600 0.083 0.000 0.945 164 E CA -0.050 56.395 56.400 0.074 0.000 1.070 164 E CB 1.021 30.752 29.700 0.053 0.000 1.090 164 E HN 0.045 nan 8.360 nan 0.000 0.506 165 A N 1.810 124.701 122.820 0.119 0.000 2.440 165 A HA 0.194 4.514 4.320 -0.000 0.000 0.251 165 A C 0.106 177.744 177.584 0.090 0.000 1.089 165 A CA 0.090 52.169 52.037 0.070 0.000 0.779 165 A CB 0.109 19.127 19.000 0.030 0.000 1.022 165 A HN -0.079 nan 8.150 nan 0.000 0.492 166 K N 2.762 123.167 120.400 0.009 0.000 2.257 166 K HA 0.433 4.752 4.320 -0.000 0.000 0.270 166 K C -0.647 175.906 176.600 -0.077 0.000 1.098 166 K CA 0.113 56.408 56.287 0.015 0.000 0.943 166 K CB 0.549 33.056 32.500 0.013 0.000 1.316 166 K HN 0.638 nan 8.250 nan 0.000 0.447 167 L N 2.777 123.926 121.223 -0.124 0.000 3.289 167 L HA 0.093 4.433 4.340 -0.000 0.000 0.291 167 L C -0.164 176.654 176.870 -0.086 0.000 1.279 167 L CA -0.520 54.163 54.840 -0.261 0.000 1.025 167 L CB 0.187 41.788 42.059 -0.764 0.000 1.413 167 L HN 0.605 nan 8.230 nan 0.000 0.593 168 D N 0.724 121.140 120.400 0.027 0.000 2.458 168 D HA 0.084 4.724 4.640 -0.000 0.000 0.243 168 D C 1.199 177.509 176.300 0.017 0.000 1.146 168 D CA 0.811 54.848 54.000 0.062 0.000 0.877 168 D CB 1.571 42.409 40.800 0.063 0.000 1.176 168 D HN 0.263 nan 8.370 nan 0.000 0.461 169 G N 1.307 110.121 108.800 0.023 0.000 2.184 169 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 169 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 169 G C 0.246 175.136 174.900 -0.016 0.000 0.975 169 G CA 0.266 45.369 45.100 0.005 0.000 0.642 169 G HN 0.597 nan 8.290 nan 0.000 0.536 170 V N 0.432 120.323 119.914 -0.039 0.000 2.461 170 V HA 0.564 4.684 4.120 -0.000 0.000 0.275 170 V C 1.185 177.248 176.094 -0.051 0.000 1.047 170 V CA 0.904 63.164 62.300 -0.065 0.000 0.955 170 V CB 1.585 33.333 31.823 -0.126 0.000 0.988 170 V HN 0.324 nan 8.190 nan 0.000 0.471 171 K N 3.500 123.874 120.400 -0.043 0.000 2.309 171 K HA 0.257 4.577 4.320 -0.000 0.000 0.210 171 K C 0.818 177.393 176.600 -0.042 0.000 1.114 171 K CA 0.437 56.706 56.287 -0.031 0.000 0.912 171 K CB 0.257 32.745 32.500 -0.021 0.000 1.198 171 K HN 0.523 nan 8.250 nan 0.000 0.471 172 K N 1.362 121.733 120.400 -0.048 0.000 2.240 172 K HA 0.278 4.598 4.320 -0.000 0.000 0.271 172 K C -1.133 175.423 176.600 -0.073 0.000 1.018 172 K CA -0.384 55.871 56.287 -0.054 0.000 0.874 172 K CB 0.903 33.376 32.500 -0.044 0.000 1.098 172 K HN 0.123 nan 8.250 nan 0.000 0.458 173 M N 5.684 125.233 119.600 -0.084 0.000 2.456 173 M HA 0.419 4.898 4.480 -0.000 0.000 0.324 173 M C -1.395 174.833 176.300 -0.121 0.000 1.124 173 M CA -0.836 54.398 55.300 -0.110 0.000 0.959 173 M CB 1.135 33.660 32.600 -0.125 0.000 1.692 173 M HN 0.484 nan 8.290 nan 0.000 0.444 174 I N 3.518 123.994 120.570 -0.158 0.000 2.362 174 I HA 0.298 4.468 4.170 -0.000 0.000 0.289 174 I C -0.827 175.133 176.117 -0.263 0.000 0.994 174 I CA -0.241 60.936 61.300 -0.204 0.000 1.158 174 I CB 1.350 39.204 38.000 -0.244 0.000 1.315 174 I HN 0.670 nan 8.210 nan 0.000 0.451 175 D N 7.150 127.411 120.400 -0.233 0.000 2.412 175 D HA 0.210 4.850 4.640 -0.000 0.000 0.224 175 D C -0.733 175.406 176.300 -0.269 0.000 1.093 175 D CA -0.299 53.566 54.000 -0.224 0.000 0.850 175 D CB 1.275 41.992 40.800 -0.137 0.000 1.046 175 D HN 0.113 nan 8.370 nan 0.000 0.507 176 V N 4.373 124.063 119.914 -0.373 0.000 2.339 176 V HA 0.520 4.639 4.120 -0.000 0.000 0.261 176 V C 1.513 177.507 176.094 -0.166 0.000 1.058 176 V CA 0.495 62.565 62.300 -0.382 0.000 0.897 176 V CB 0.532 31.956 31.823 -0.666 0.000 1.052 176 V HN 0.905 nan 8.190 nan 0.000 0.480 177 G N 4.525 113.261 108.800 -0.107 0.000 2.213 177 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.226 177 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.226 177 G C 1.026 175.922 174.900 -0.007 0.000 0.992 177 G CA 0.110 45.195 45.100 -0.026 0.000 0.632 177 G HN 1.110 nan 8.290 nan 0.000 0.511 178 G N 0.620 109.402 108.800 -0.029 0.000 2.653 178 G HA2 0.405 4.365 3.960 -0.000 0.000 0.212 178 G HA3 0.405 4.365 3.960 -0.000 0.000 0.212 178 G C 1.999 176.920 174.900 0.034 0.000 1.138 178 G CA 1.671 46.769 45.100 -0.004 0.000 0.782 178 G HN 2.038 nan 8.290 nan 0.000 0.535 179 G N 0.688 109.519 108.800 0.052 0.000 2.660 179 G HA2 -0.425 3.534 3.960 -0.000 0.000 0.321 179 G HA3 -0.425 3.534 3.960 -0.000 0.000 0.321 179 G C 1.257 176.197 174.900 0.067 0.000 1.246 179 G CA 0.534 45.691 45.100 0.095 0.000 1.000 179 G HN 0.644 nan 8.290 nan 0.000 0.550 180 I N 2.562 123.181 120.570 0.082 0.000 3.001 180 I HA 0.278 4.447 4.170 -0.000 0.000 0.268 180 I C 1.956 178.091 176.117 0.030 0.000 1.267 180 I CA 1.718 63.048 61.300 0.052 0.000 1.472 180 I CB -0.468 37.565 38.000 0.055 0.000 1.089 180 I HN 1.881 nan 8.210 nan 0.000 0.468 181 G N 0.728 109.545 108.800 0.029 0.000 2.132 181 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.228 181 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.228 181 G C 0.383 175.290 174.900 0.011 0.000 1.000 181 G CA 0.417 45.524 45.100 0.012 0.000 0.693 181 G HN 0.364 nan 8.290 nan 0.000 0.515 182 D N -0.154 120.256 120.400 0.016 0.000 2.224 182 D HA 0.082 4.722 4.640 -0.000 0.000 0.205 182 D C 2.594 178.896 176.300 0.003 0.000 0.965 182 D CA 0.791 54.794 54.000 0.006 0.000 0.852 182 D CB 0.022 40.824 40.800 0.003 0.000 0.947 182 D HN 0.584 nan 8.370 nan 0.000 0.494 183 I N 0.115 120.688 120.570 0.005 0.000 2.163 183 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 183 I C 2.347 178.471 176.117 0.012 0.000 1.081 183 I CA 0.748 62.049 61.300 0.001 0.000 1.353 183 I CB -0.177 37.821 38.000 -0.003 0.000 1.054 183 I HN -0.135 nan 8.210 nan 0.000 0.407 184 S N 0.543 116.246 115.700 0.004 0.000 2.383 184 S HA -0.207 4.262 4.470 -0.000 0.000 0.229 184 S C 2.201 176.816 174.600 0.025 0.000 1.030 184 S CA 1.434 59.636 58.200 0.005 0.000 1.002 184 S CB -0.368 62.822 63.200 -0.016 0.000 0.829 184 S HN 0.530 nan 8.310 nan 0.000 0.467 185 A N 1.566 124.397 122.820 0.019 0.000 1.858 185 A HA 0.050 4.370 4.320 -0.000 0.000 0.216 185 A C 2.392 180.003 177.584 0.046 0.000 1.190 185 A CA 1.855 53.905 52.037 0.022 0.000 0.617 185 A CB -1.292 17.713 19.000 0.009 0.000 0.827 185 A HN 0.540 nan 8.150 nan 0.000 0.443 186 A N -0.541 122.310 122.820 0.052 0.000 1.917 186 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 186 A C 2.275 179.967 177.584 0.181 0.000 1.182 186 A CA 2.130 54.223 52.037 0.093 0.000 0.633 186 A CB -0.623 18.410 19.000 0.055 0.000 0.819 186 A HN 0.558 nan 8.150 nan 0.000 0.448 187 M N -1.174 118.527 119.600 0.168 0.000 2.213 187 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 187 M C 1.723 178.207 176.300 0.307 0.000 1.062 187 M CA 0.905 56.376 55.300 0.286 0.000 1.105 187 M CB -0.299 32.421 32.600 0.201 0.000 1.385 187 M HN 0.287 nan 8.290 nan 0.000 0.417 188 L N 0.338 121.657 121.223 0.160 0.000 2.201 188 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 188 L C 2.196 179.098 176.870 0.054 0.000 1.105 188 L CA 1.651 56.557 54.840 0.111 0.000 0.775 188 L CB -0.948 41.141 42.059 0.050 0.000 0.913 188 L HN 0.184 nan 8.230 nan 0.000 0.440 189 K N -1.232 119.174 120.400 0.010 0.000 2.366 189 K HA -0.042 4.278 4.320 -0.000 0.000 0.198 189 K C 1.358 177.714 176.600 -0.406 0.000 1.044 189 K CA 0.761 56.948 56.287 -0.167 0.000 0.973 189 K CB -0.206 32.166 32.500 -0.214 0.000 0.767 189 K HN 0.431 nan 8.250 nan 0.000 0.475 190 H N -1.756 117.259 119.070 -0.092 0.000 2.652 190 H HA 0.247 4.803 4.556 -0.000 0.000 0.274 190 H C -0.648 174.355 175.328 -0.542 0.000 1.021 190 H CA -0.055 55.800 56.048 -0.322 0.000 1.187 190 H CB 0.232 29.726 29.762 -0.447 0.000 1.505 190 H HN -0.073 nan 8.280 nan 0.000 0.530 191 F N -0.004 119.969 119.950 0.038 0.000 2.824 191 F HA 0.280 4.807 4.527 -0.000 0.000 0.375 191 F C -1.923 173.873 175.800 -0.006 0.000 1.190 191 F CA -2.179 55.834 58.000 0.023 0.000 1.180 191 F CB 1.907 40.924 39.000 0.027 0.000 1.477 191 F HN -0.082 nan 8.300 nan 0.000 0.542 192 P HA -0.218 nan 4.420 nan 0.000 0.218 192 P C 0.872 178.204 177.300 0.053 0.000 1.147 192 P CA 1.638 64.766 63.100 0.046 0.000 0.827 192 P CB 0.285 31.993 31.700 0.014 0.000 0.778 193 E N -1.879 118.368 120.200 0.079 0.000 2.476 193 E HA 0.072 4.422 4.350 -0.000 0.000 0.199 193 E C 0.631 177.255 176.600 0.039 0.000 1.021 193 E CA -0.325 56.104 56.400 0.049 0.000 0.907 193 E CB -0.056 29.671 29.700 0.044 0.000 0.974 193 E HN 0.200 nan 8.360 nan 0.000 0.489 194 L N 2.261 123.522 121.223 0.063 0.000 2.461 194 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 194 L C -0.177 176.698 176.870 0.008 0.000 1.197 194 L CA 0.702 55.554 54.840 0.019 0.000 0.836 194 L CB 0.670 42.747 42.059 0.030 0.000 1.105 194 L HN -0.144 nan 8.230 nan 0.000 0.477 195 D N 2.425 122.814 120.400 -0.019 0.000 2.863 195 D HA 0.252 4.892 4.640 -0.000 0.000 0.245 195 D C -1.739 174.537 176.300 -0.040 0.000 1.211 195 D CA -0.255 53.731 54.000 -0.022 0.000 0.888 195 D CB 1.914 42.701 40.800 -0.023 0.000 1.483 195 D HN 0.483 nan 8.370 nan 0.000 0.533 196 S N 2.118 117.796 115.700 -0.037 0.000 2.502 196 S HA 0.534 5.004 4.470 -0.000 0.000 0.304 196 S C -0.888 173.679 174.600 -0.054 0.000 1.097 196 S CA -0.341 57.827 58.200 -0.054 0.000 1.045 196 S CB 1.362 64.533 63.200 -0.049 0.000 1.019 196 S HN 0.386 nan 8.310 nan 0.000 0.481 197 T N 5.374 119.884 114.554 -0.073 0.000 2.772 197 T HA 0.468 4.818 4.350 -0.000 0.000 0.288 197 T C -0.488 174.154 174.700 -0.097 0.000 0.994 197 T CA -0.278 61.779 62.100 -0.073 0.000 0.951 197 T CB 0.149 68.974 68.868 -0.071 0.000 0.933 197 T HN 0.484 nan 8.240 nan 0.000 0.447 198 I N 4.082 124.604 120.570 -0.079 0.000 2.325 198 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 198 I C 0.215 176.275 176.117 -0.095 0.000 1.019 198 I CA -0.309 60.937 61.300 -0.090 0.000 1.302 198 I CB 0.596 38.563 38.000 -0.056 0.000 1.401 198 I HN 0.398 nan 8.210 nan 0.000 0.485 199 L N 6.874 128.012 121.223 -0.141 0.000 2.315 199 L HA 0.358 4.698 4.340 -0.000 0.000 0.283 199 L C 0.198 177.018 176.870 -0.084 0.000 1.089 199 L CA 0.028 54.787 54.840 -0.134 0.000 0.833 199 L CB -0.093 41.829 42.059 -0.229 0.000 1.170 199 L HN 0.676 nan 8.230 nan 0.000 0.442 200 N N 2.486 121.159 118.700 -0.045 0.000 2.902 200 N HA 0.518 5.257 4.740 -0.000 0.000 0.268 200 N C -0.835 174.674 175.510 -0.003 0.000 1.450 200 N CA -0.671 52.370 53.050 -0.015 0.000 0.819 200 N CB 1.978 40.463 38.487 -0.003 0.000 1.540 200 N HN 0.313 nan 8.380 nan 0.000 0.545 201 L N 2.069 123.293 121.223 0.003 0.000 2.461 201 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 201 L C -1.179 175.689 176.870 -0.002 0.000 1.197 201 L CA -1.114 53.723 54.840 -0.005 0.000 0.836 201 L CB 0.289 42.328 42.059 -0.033 0.000 1.105 201 L HN 0.480 nan 8.230 nan 0.000 0.477 202 P HA -0.181 nan 4.420 nan 0.000 0.216 202 P C 1.296 178.597 177.300 0.002 0.000 1.154 202 P CA 1.441 64.542 63.100 0.001 0.000 0.865 202 P CB 0.145 31.846 31.700 0.002 0.000 0.789 203 G N -1.186 107.614 108.800 -0.001 0.000 2.679 203 G HA2 0.001 3.960 3.960 -0.000 0.000 0.212 203 G HA3 0.001 3.960 3.960 -0.000 0.000 0.212 203 G C 1.299 176.208 174.900 0.015 0.000 1.137 203 G CA 0.659 45.763 45.100 0.006 0.000 0.787 203 G HN 0.367 nan 8.290 nan 0.000 0.534 204 A N 0.333 123.161 122.820 0.014 0.000 2.252 204 A HA 0.358 4.678 4.320 -0.000 0.000 0.213 204 A C 2.095 179.689 177.584 0.016 0.000 1.188 204 A CA -0.045 52.005 52.037 0.023 0.000 0.863 204 A CB 0.059 19.079 19.000 0.033 0.000 0.893 204 A HN 0.194 nan 8.150 nan 0.000 0.495 205 I N 1.338 121.913 120.570 0.008 0.000 2.145 205 I HA -0.268 3.901 4.170 -0.000 0.000 0.244 205 I C 1.508 177.627 176.117 0.004 0.000 1.075 205 I CA 1.768 63.070 61.300 0.003 0.000 1.332 205 I CB -1.357 36.643 38.000 -0.000 0.000 1.033 205 I HN 0.271 nan 8.210 nan 0.000 0.410 206 D N 0.669 121.073 120.400 0.006 0.000 2.178 206 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 206 D C 2.454 178.758 176.300 0.007 0.000 0.974 206 D CA 0.794 54.797 54.000 0.005 0.000 0.841 206 D CB -0.169 40.634 40.800 0.005 0.000 0.953 206 D HN 0.338 nan 8.370 nan 0.000 0.478 207 L N 0.098 121.328 121.223 0.012 0.000 2.109 207 L HA -0.091 4.248 4.340 -0.000 0.000 0.207 207 L C 2.464 179.342 176.870 0.012 0.000 1.086 207 L CA 0.451 55.300 54.840 0.015 0.000 0.760 207 L CB -0.365 41.710 42.059 0.026 0.000 0.910 207 L HN -0.068 nan 8.230 nan 0.000 0.437 208 V N 0.346 120.267 119.914 0.012 0.000 2.295 208 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 208 V C 2.226 178.321 176.094 0.001 0.000 1.049 208 V CA 1.830 64.134 62.300 0.007 0.000 1.024 208 V CB -0.619 31.205 31.823 0.002 0.000 0.648 208 V HN 0.498 nan 8.190 nan 0.000 0.447 209 N N 0.051 118.750 118.700 -0.001 0.000 2.188 209 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 209 N C 1.821 177.329 175.510 -0.003 0.000 1.018 209 N CA 1.239 54.287 53.050 -0.003 0.000 0.858 209 N CB -0.184 38.300 38.487 -0.004 0.000 0.989 209 N HN 0.616 nan 8.380 nan 0.000 0.426 210 E N 0.473 120.672 120.200 -0.001 0.000 2.152 210 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 210 E C 1.497 178.094 176.600 -0.004 0.000 0.983 210 E CA 0.539 56.938 56.400 -0.003 0.000 0.818 210 E CB -0.043 29.656 29.700 -0.001 0.000 0.758 210 E HN 0.258 nan 8.360 nan 0.000 0.467 211 N N 1.040 119.739 118.700 -0.002 0.000 2.120 211 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 211 N C 1.669 177.175 175.510 -0.005 0.000 1.024 211 N CA 1.504 54.552 53.050 -0.003 0.000 0.852 211 N CB -0.178 38.310 38.487 0.002 0.000 1.003 211 N HN 0.145 nan 8.380 nan 0.000 0.424 212 A N 0.441 123.258 122.820 -0.005 0.000 1.883 212 A HA -0.040 4.279 4.320 -0.000 0.000 0.217 212 A C 2.375 179.953 177.584 -0.009 0.000 1.186 212 A CA 2.197 54.230 52.037 -0.007 0.000 0.624 212 A CB -1.337 17.658 19.000 -0.008 0.000 0.822 212 A HN 0.443 nan 8.150 nan 0.000 0.444 213 A N -0.433 122.382 122.820 -0.008 0.000 1.877 213 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 213 A C 1.945 179.522 177.584 -0.011 0.000 1.186 213 A CA 1.769 53.801 52.037 -0.009 0.000 0.620 213 A CB -0.639 18.356 19.000 -0.008 0.000 0.822 213 A HN 0.632 nan 8.150 nan 0.000 0.443 214 E N -0.314 119.879 120.200 -0.011 0.000 2.085 214 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 214 E C 1.345 177.936 176.600 -0.016 0.000 0.994 214 E CA 1.334 57.725 56.400 -0.014 0.000 0.801 214 E CB -0.109 29.582 29.700 -0.014 0.000 0.743 214 E HN 0.541 nan 8.360 nan 0.000 0.453 215 K N -0.288 120.104 120.400 -0.014 0.000 2.504 215 K HA 0.093 4.412 4.320 -0.000 0.000 0.199 215 K C 0.538 177.128 176.600 -0.017 0.000 1.028 215 K CA 0.328 56.605 56.287 -0.016 0.000 1.164 215 K CB 0.548 33.040 32.500 -0.013 0.000 0.877 215 K HN 0.196 nan 8.250 nan 0.000 0.508 216 G N 1.560 110.350 108.800 -0.016 0.000 2.341 216 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.292 216 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.292 216 G C 0.384 175.275 174.900 -0.015 0.000 1.021 216 G CA 0.648 45.739 45.100 -0.016 0.000 0.905 216 G HN 0.337 nan 8.290 nan 0.000 0.508 217 V N -4.575 115.332 119.914 -0.012 0.000 2.925 217 V HA 0.745 4.865 4.120 -0.000 0.000 0.361 217 V C 1.743 177.832 176.094 -0.010 0.000 1.361 217 V CA 0.580 62.874 62.300 -0.010 0.000 1.184 217 V CB -0.052 31.767 31.823 -0.008 0.000 1.245 217 V HN 1.119 nan 8.190 nan 0.000 0.575 218 A N 1.739 124.553 122.820 -0.010 0.000 2.084 218 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 218 A C 1.634 179.212 177.584 -0.010 0.000 1.161 218 A CA 2.392 54.423 52.037 -0.010 0.000 0.653 218 A CB -0.509 18.485 19.000 -0.009 0.000 0.802 218 A HN 0.844 nan 8.150 nan 0.000 0.457 219 D N -2.007 118.387 120.400 -0.010 0.000 2.350 219 D HA 0.084 4.724 4.640 -0.000 0.000 0.213 219 D C 1.520 177.814 176.300 -0.010 0.000 1.031 219 D CA 0.348 54.343 54.000 -0.010 0.000 0.861 219 D CB 0.063 40.858 40.800 -0.009 0.000 0.926 219 D HN 0.463 nan 8.370 nan 0.000 0.520 220 R N -0.795 119.699 120.500 -0.010 0.000 2.487 220 R HA 0.378 4.718 4.340 -0.000 0.000 0.272 220 R C -0.090 176.203 176.300 -0.012 0.000 0.928 220 R CA -0.186 55.908 56.100 -0.009 0.000 1.077 220 R CB 0.828 31.126 30.300 -0.003 0.000 1.265 220 R HN 0.177 nan 8.270 nan 0.000 0.537 221 M N 1.646 121.238 119.600 -0.013 0.000 2.324 221 M HA 0.421 4.901 4.480 -0.000 0.000 0.288 221 M C -1.671 174.619 176.300 -0.017 0.000 1.097 221 M CA -0.601 54.689 55.300 -0.016 0.000 0.928 221 M CB 1.820 34.413 32.600 -0.011 0.000 1.648 221 M HN -0.024 nan 8.290 nan 0.000 0.460 222 R N 2.644 123.130 120.500 -0.023 0.000 2.716 222 R HA 0.798 5.138 4.340 -0.000 0.000 0.271 222 R C -1.195 175.090 176.300 -0.026 0.000 1.028 222 R CA -1.078 55.010 56.100 -0.020 0.000 0.883 222 R CB 1.240 31.528 30.300 -0.020 0.000 1.250 222 R HN 0.740 nan 8.270 nan 0.000 0.465 223 G N 0.807 109.594 108.800 -0.020 0.000 2.410 223 G HA2 0.642 4.602 3.960 -0.000 0.000 0.330 223 G HA3 0.642 4.602 3.960 -0.000 0.000 0.330 223 G C -1.128 173.757 174.900 -0.024 0.000 1.142 223 G CA -0.972 44.114 45.100 -0.023 0.000 0.902 223 G HN 0.593 nan 8.290 nan 0.000 0.491 224 I N 0.536 121.088 120.570 -0.030 0.000 2.607 224 I HA 0.596 4.766 4.170 -0.000 0.000 0.290 224 I C 0.037 176.141 176.117 -0.022 0.000 1.129 224 I CA -1.069 60.215 61.300 -0.025 0.000 1.042 224 I CB 1.968 39.949 38.000 -0.031 0.000 1.242 224 I HN 0.630 nan 8.210 nan 0.000 0.421 225 A N 7.353 130.167 122.820 -0.010 0.000 2.395 225 A HA 0.631 4.951 4.320 -0.000 0.000 0.286 225 A C -0.905 176.681 177.584 0.003 0.000 1.193 225 A CA -0.064 51.971 52.037 -0.003 0.000 0.852 225 A CB 0.063 19.065 19.000 0.003 0.000 1.118 225 A HN 0.493 nan 8.150 nan 0.000 0.524 226 V N 2.476 122.391 119.914 0.001 0.000 2.971 226 V HA 0.287 4.407 4.120 -0.000 0.000 0.309 226 V C -1.034 175.077 176.094 0.029 0.000 1.130 226 V CA -0.710 61.601 62.300 0.018 0.000 0.964 226 V CB 2.523 34.350 31.823 0.007 0.000 1.029 226 V HN 0.957 nan 8.190 nan 0.000 0.427 227 D N 2.303 122.743 120.400 0.067 0.000 2.412 227 D HA 0.345 4.985 4.640 -0.000 0.000 0.224 227 D C 1.180 177.534 176.300 0.090 0.000 1.093 227 D CA -0.437 53.622 54.000 0.098 0.000 0.850 227 D CB 0.973 41.857 40.800 0.140 0.000 1.046 227 D HN 0.563 nan 8.370 nan 0.000 0.507 228 I N 0.775 121.314 120.570 -0.051 0.000 3.164 228 I HA -0.092 4.078 4.170 -0.000 0.000 0.278 228 I C 0.171 176.170 176.117 -0.196 0.000 1.320 228 I CA 0.828 62.075 61.300 -0.089 0.000 1.422 228 I CB -0.452 37.335 38.000 -0.356 0.000 1.066 228 I HN 0.373 nan 8.210 nan 0.000 0.503 229 Y N 0.881 121.292 120.300 0.184 0.000 2.447 229 Y HA 0.180 4.730 4.550 -0.000 0.000 0.286 229 Y C 2.566 178.507 175.900 0.068 0.000 1.153 229 Y CA 0.355 58.524 58.100 0.114 0.000 1.241 229 Y CB -0.274 38.234 38.460 0.080 0.000 1.284 229 Y HN -0.111 nan 8.280 nan 0.000 0.520 230 K N 1.107 121.640 120.400 0.221 0.000 2.031 230 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 230 K C -0.143 176.500 176.600 0.072 0.000 1.049 230 K CA 0.937 57.297 56.287 0.122 0.000 0.939 230 K CB -0.058 32.505 32.500 0.105 0.000 0.717 230 K HN 0.307 nan 8.250 nan 0.000 0.438 231 E N 0.925 121.174 120.200 0.081 0.000 2.349 231 E HA 0.115 4.464 4.350 -0.000 0.000 0.262 231 E C -0.457 176.148 176.600 0.008 0.000 1.088 231 E CA -0.675 55.759 56.400 0.056 0.000 0.899 231 E CB 1.464 31.214 29.700 0.083 0.000 1.044 231 E HN 0.090 nan 8.360 nan 0.000 0.420 232 S N 0.583 116.277 115.700 -0.010 0.000 2.600 232 S HA 0.184 4.653 4.470 -0.000 0.000 0.265 232 S C -0.603 174.047 174.600 0.083 0.000 1.325 232 S CA -0.451 57.706 58.200 -0.072 0.000 1.002 232 S CB 0.161 63.345 63.200 -0.027 0.000 0.921 232 S HN 0.263 nan 8.310 nan 0.000 0.554 233 Y N 0.447 120.745 120.300 -0.003 0.000 2.420 233 Y HA 0.469 5.019 4.550 -0.001 0.000 0.334 233 Y C -2.140 173.741 175.900 -0.031 0.000 1.094 233 Y CA -3.065 55.019 58.100 -0.027 0.000 1.126 233 Y CB -0.584 37.850 38.460 -0.043 0.000 1.217 233 Y HN 0.399 nan 8.280 nan 0.000 0.462 234 P HA 0.020 nan 4.420 nan 0.000 0.267 234 P C -0.498 176.826 177.300 0.039 0.000 1.200 234 P CA -0.259 62.871 63.100 0.050 0.000 0.772 234 P CB 0.485 32.189 31.700 0.007 0.000 0.855 235 E N 1.590 121.798 120.200 0.014 0.000 2.452 235 E HA 0.326 4.676 4.350 -0.000 0.000 0.261 235 E C -0.322 176.268 176.600 -0.017 0.000 0.987 235 E CA -0.083 56.315 56.400 -0.004 0.000 0.926 235 E CB 0.082 29.773 29.700 -0.015 0.000 0.934 235 E HN 0.423 nan 8.360 nan 0.000 0.452 236 A N 2.196 125.000 122.820 -0.027 0.000 2.593 236 A HA 0.399 4.719 4.320 -0.000 0.000 0.290 236 A C -0.277 177.277 177.584 -0.049 0.000 1.126 236 A CA -0.704 51.307 52.037 -0.043 0.000 0.695 236 A CB 1.329 20.295 19.000 -0.057 0.000 1.290 236 A HN 0.451 nan 8.150 nan 0.000 0.414 237 D N -0.056 120.311 120.400 -0.056 0.000 2.354 237 D HA 0.452 5.092 4.640 -0.000 0.000 0.209 237 D C 0.495 176.760 176.300 -0.059 0.000 1.015 237 D CA 1.717 55.684 54.000 -0.055 0.000 0.867 237 D CB 0.777 41.544 40.800 -0.056 0.000 0.933 237 D HN 0.903 nan 8.370 nan 0.000 0.520 238 A N -0.626 122.152 122.820 -0.069 0.000 2.586 238 A HA 0.580 4.900 4.320 -0.000 0.000 0.291 238 A C -1.751 175.769 177.584 -0.107 0.000 1.062 238 A CA -0.557 51.433 52.037 -0.078 0.000 0.666 238 A CB 1.334 20.270 19.000 -0.106 0.000 1.281 238 A HN -0.140 nan 8.150 nan 0.000 0.421 239 V N 1.036 120.874 119.914 -0.125 0.000 2.567 239 V HA 0.514 4.634 4.120 -0.000 0.000 0.298 239 V C -1.239 174.681 176.094 -0.291 0.000 1.047 239 V CA -0.284 61.873 62.300 -0.238 0.000 0.880 239 V CB 1.417 33.112 31.823 -0.213 0.000 1.009 239 V HN 0.994 nan 8.190 nan 0.000 0.429 240 L N 5.468 126.493 121.223 -0.331 0.000 2.265 240 L HA 0.662 5.002 4.340 -0.000 0.000 0.289 240 L C -1.016 175.649 176.870 -0.340 0.000 1.033 240 L CA 0.124 54.814 54.840 -0.251 0.000 0.814 240 L CB 0.820 42.779 42.059 -0.167 0.000 1.203 240 L HN 0.466 nan 8.230 nan 0.000 0.423 241 F N 5.144 125.038 119.950 -0.094 0.000 2.406 241 F HA 0.248 4.775 4.527 -0.001 0.000 0.358 241 F C 0.551 176.309 175.800 -0.070 0.000 1.161 241 F CA -0.149 57.797 58.000 -0.090 0.000 1.185 241 F CB 0.513 39.459 39.000 -0.090 0.000 1.421 241 F HN 0.476 nan 8.300 nan 0.000 0.576 242 C N 5.954 125.288 119.300 0.057 0.000 2.345 242 C HA 0.277 4.736 4.460 -0.000 0.000 0.349 242 C C 1.029 176.071 174.990 0.086 0.000 1.130 242 C CA -0.589 58.458 59.018 0.048 0.000 1.574 242 C CB -1.766 25.972 27.740 -0.003 0.000 2.108 242 C HN 0.889 nan 8.230 nan 0.000 0.516 243 R N 3.699 124.285 120.500 0.144 0.000 3.188 243 R HA -0.233 4.106 4.340 -0.000 0.000 0.247 243 R C 0.338 176.716 176.300 0.130 0.000 0.918 243 R CA 1.018 57.272 56.100 0.256 0.000 0.629 243 R CB -1.538 28.895 30.300 0.221 0.000 1.087 243 R HN 0.940 nan 8.270 nan 0.000 0.462 244 I N -1.672 118.892 120.570 -0.010 0.000 4.738 244 I HA -0.021 4.148 4.170 -0.000 0.000 0.315 244 I C 0.987 176.909 176.117 -0.326 0.000 1.214 244 I CA -0.105 61.092 61.300 -0.171 0.000 1.337 244 I CB 0.322 38.337 38.000 0.026 0.000 1.433 244 I HN 0.134 nan 8.210 nan 0.000 0.472 245 L N 1.400 122.512 121.223 -0.185 0.000 2.395 245 L HA -0.041 4.298 4.340 -0.000 0.000 0.218 245 L C 2.263 179.069 176.870 -0.107 0.000 1.130 245 L CA 1.698 56.443 54.840 -0.159 0.000 0.826 245 L CB -1.519 40.453 42.059 -0.144 0.000 0.941 245 L HN 0.537 nan 8.230 nan 0.000 0.451 246 Y N -1.394 118.890 120.300 -0.028 0.000 2.256 246 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 246 Y C 2.417 178.178 175.900 -0.232 0.000 1.155 246 Y CA 1.038 59.072 58.100 -0.110 0.000 1.203 246 Y CB -1.511 36.803 38.460 -0.242 0.000 0.980 246 Y HN 0.232 nan 8.280 nan 0.000 0.530 247 S N 0.525 115.928 115.700 -0.495 0.000 2.527 247 S HA 0.367 4.837 4.470 -0.000 0.000 0.222 247 S C 1.132 175.661 174.600 -0.119 0.000 0.985 247 S CA -0.175 57.891 58.200 -0.223 0.000 0.921 247 S CB -0.638 62.460 63.200 -0.170 0.000 0.772 247 S HN 0.588 nan 8.310 nan 0.000 0.529 248 A N 3.087 125.827 122.820 -0.134 0.000 2.425 248 A HA 0.507 4.826 4.320 -0.000 0.000 0.249 248 A C 0.502 178.047 177.584 -0.065 0.000 1.084 248 A CA -0.635 51.357 52.037 -0.075 0.000 0.781 248 A CB -0.086 18.876 19.000 -0.064 0.000 1.019 248 A HN 0.670 nan 8.150 nan 0.000 0.490 249 N N 1.368 120.042 118.700 -0.044 0.000 2.347 249 N HA 0.084 4.823 4.740 -0.000 0.000 0.253 249 N C 0.413 175.887 175.510 -0.060 0.000 1.274 249 N CA 0.178 53.202 53.050 -0.043 0.000 0.941 249 N CB 0.222 38.697 38.487 -0.019 0.000 1.200 249 N HN 0.662 nan 8.380 nan 0.000 0.514 250 E N -1.233 118.925 120.200 -0.069 0.000 2.130 250 E HA -0.302 4.048 4.350 -0.000 0.000 0.196 250 E C 1.385 177.960 176.600 -0.043 0.000 0.998 250 E CA 1.445 57.801 56.400 -0.074 0.000 0.806 250 E CB -0.001 29.657 29.700 -0.071 0.000 0.738 250 E HN 0.642 nan 8.360 nan 0.000 0.459 251 Q N 0.237 120.019 119.800 -0.030 0.000 2.049 251 Q HA -0.117 4.223 4.340 -0.000 0.000 0.198 251 Q C 2.019 178.013 176.000 -0.011 0.000 0.971 251 Q CA 1.137 56.929 55.803 -0.018 0.000 0.833 251 Q CB -0.149 28.580 28.738 -0.016 0.000 0.896 251 Q HN 0.356 nan 8.270 nan 0.000 0.434 252 L N -1.149 120.068 121.223 -0.009 0.000 2.313 252 L HA 0.153 4.493 4.340 -0.000 0.000 0.214 252 L C 1.722 178.588 176.870 -0.005 0.000 1.119 252 L CA 1.615 56.460 54.840 0.009 0.000 0.809 252 L CB -1.553 40.521 42.059 0.025 0.000 0.933 252 L HN 0.019 nan 8.230 nan 0.000 0.449 253 S N 0.759 116.443 115.700 -0.027 0.000 2.368 253 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 253 S C 1.854 176.435 174.600 -0.031 0.000 1.030 253 S CA 1.835 60.007 58.200 -0.048 0.000 0.999 253 S CB -0.421 62.777 63.200 -0.005 0.000 0.844 253 S HN 0.624 nan 8.310 nan 0.000 0.459 254 T N 2.362 116.915 114.554 -0.003 0.000 2.674 254 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 254 T C 1.822 176.540 174.700 0.028 0.000 1.039 254 T CA 1.408 63.520 62.100 0.020 0.000 1.150 254 T CB -0.459 68.413 68.868 0.007 0.000 0.864 254 T HN 0.365 nan 8.240 nan 0.000 0.427 255 I N 0.983 121.564 120.570 0.018 0.000 2.335 255 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 255 I C 1.967 178.111 176.117 0.045 0.000 1.129 255 I CA 1.432 62.748 61.300 0.028 0.000 1.402 255 I CB -0.376 37.640 38.000 0.027 0.000 1.069 255 I HN 0.158 nan 8.210 nan 0.000 0.424 256 M N -0.534 119.082 119.600 0.026 0.000 2.077 256 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 256 M C 2.527 178.935 176.300 0.180 0.000 1.070 256 M CA 1.656 56.980 55.300 0.041 0.000 1.125 256 M CB -1.631 30.807 32.600 -0.270 0.000 1.339 256 M HN 0.327 nan 8.290 nan 0.000 0.409 257 C N 0.428 119.777 119.300 0.083 0.000 2.419 257 C HA -0.139 4.321 4.460 -0.000 0.000 0.281 257 C C 2.818 178.062 174.990 0.424 0.000 1.336 257 C CA 0.868 60.062 59.018 0.294 0.000 1.770 257 C CB -1.104 26.743 27.740 0.178 0.000 1.929 257 C HN 0.546 nan 8.230 nan 0.000 0.509 258 K N 1.220 121.766 120.400 0.244 0.000 2.031 258 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 258 K C 2.058 178.768 176.600 0.183 0.000 1.049 258 K CA 1.147 57.548 56.287 0.189 0.000 0.939 258 K CB -0.126 32.412 32.500 0.063 0.000 0.717 258 K HN 0.361 nan 8.250 nan 0.000 0.438 259 K N 0.160 120.605 120.400 0.075 0.000 2.113 259 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 259 K C 2.073 178.664 176.600 -0.015 0.000 1.047 259 K CA 1.465 57.667 56.287 -0.140 0.000 0.928 259 K CB -0.177 32.019 32.500 -0.506 0.000 0.716 259 K HN 0.252 nan 8.250 nan 0.000 0.446 260 A N 0.640 123.634 122.820 0.291 0.000 1.929 260 A HA -0.110 4.209 4.320 -0.000 0.000 0.216 260 A C 1.948 179.723 177.584 0.320 0.000 1.176 260 A CA 0.793 53.062 52.037 0.387 0.000 0.628 260 A CB -0.522 18.784 19.000 0.509 0.000 0.816 260 A HN 0.320 nan 8.150 nan 0.000 0.444 261 F N 1.297 121.373 119.950 0.211 0.000 2.113 261 F HA -0.164 4.362 4.527 -0.001 0.000 0.297 261 F C 1.638 177.426 175.800 -0.021 0.000 1.103 261 F CA 2.047 60.063 58.000 0.026 0.000 1.248 261 F CB -0.049 38.843 39.000 -0.179 0.000 0.999 261 F HN 0.221 nan 8.300 nan 0.000 0.475 262 D N 0.352 120.862 120.400 0.184 0.000 2.309 262 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 262 D C 2.128 178.410 176.300 -0.030 0.000 0.968 262 D CA 1.133 55.167 54.000 0.058 0.000 0.882 262 D CB -0.349 40.490 40.800 0.065 0.000 0.918 262 D HN 0.421 nan 8.370 nan 0.000 0.503 263 A N -0.122 122.695 122.820 -0.004 0.000 2.021 263 A HA 0.085 4.405 4.320 -0.000 0.000 0.216 263 A C 1.343 178.898 177.584 -0.048 0.000 1.163 263 A CA 0.333 52.373 52.037 0.005 0.000 0.676 263 A CB 0.039 19.100 19.000 0.100 0.000 0.818 263 A HN 0.094 nan 8.150 nan 0.000 0.453 264 M N -0.655 118.877 119.600 -0.114 0.000 2.369 264 M HA 0.421 4.900 4.480 -0.000 0.000 0.291 264 M C 0.412 176.569 176.300 -0.239 0.000 1.178 264 M CA -0.434 54.773 55.300 -0.154 0.000 0.996 264 M CB 0.828 33.353 32.600 -0.126 0.000 1.472 264 M HN 0.096 nan 8.290 nan 0.000 0.496 265 R N -0.230 120.159 120.500 -0.185 0.000 3.029 265 R HA 0.436 4.775 4.340 -0.000 0.000 0.239 265 R C -0.618 175.586 176.300 -0.161 0.000 1.351 265 R CA -0.833 55.162 56.100 -0.174 0.000 1.052 265 R CB 1.460 31.698 30.300 -0.104 0.000 1.354 265 R HN 0.725 nan 8.270 nan 0.000 0.499 266 S N -0.289 115.340 115.700 -0.117 0.000 2.573 266 S HA 0.152 4.622 4.470 -0.000 0.000 0.297 266 S C 1.184 175.751 174.600 -0.055 0.000 1.280 266 S CA 1.640 59.793 58.200 -0.077 0.000 1.061 266 S CB -0.123 63.050 63.200 -0.045 0.000 0.812 266 S HN 0.756 nan 8.310 nan 0.000 0.500 267 G N 3.189 111.970 108.800 -0.032 0.000 2.234 267 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 267 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 267 G C 0.589 175.481 174.900 -0.013 0.000 0.987 267 G CA 0.260 45.352 45.100 -0.013 0.000 0.625 267 G HN 1.406 nan 8.290 nan 0.000 0.532 268 G N 0.493 109.272 108.800 -0.034 0.000 2.414 268 G HA2 0.435 4.395 3.960 -0.000 0.000 0.236 268 G HA3 0.435 4.395 3.960 -0.000 0.000 0.236 268 G C 0.331 175.249 174.900 0.030 0.000 1.293 268 G CA -0.115 44.971 45.100 -0.023 0.000 0.869 268 G HN 0.433 nan 8.290 nan 0.000 0.556 269 R N 0.905 121.411 120.500 0.011 0.000 2.536 269 R HA 0.452 4.792 4.340 -0.000 0.000 0.279 269 R C -0.551 175.762 176.300 0.021 0.000 1.001 269 R CA -0.948 55.162 56.100 0.017 0.000 1.027 269 R CB 1.813 32.091 30.300 -0.037 0.000 1.096 269 R HN 0.381 nan 8.270 nan 0.000 0.502 270 L N 3.512 124.736 121.223 0.001 0.000 2.381 270 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 270 L C -1.670 175.152 176.870 -0.080 0.000 0.988 270 L CA -0.825 53.987 54.840 -0.046 0.000 0.824 270 L CB 1.580 43.526 42.059 -0.187 0.000 1.263 270 L HN 0.419 nan 8.230 nan 0.000 0.410 271 L N 6.004 127.187 121.223 -0.066 0.000 2.386 271 L HA 0.598 4.938 4.340 -0.000 0.000 0.271 271 L C -0.568 176.286 176.870 -0.025 0.000 0.993 271 L CA -0.143 54.658 54.840 -0.065 0.000 0.819 271 L CB 2.210 44.224 42.059 -0.075 0.000 1.294 271 L HN 0.424 nan 8.230 nan 0.000 0.414 272 I N 4.240 124.771 120.570 -0.064 0.000 2.468 272 I HA 0.362 4.532 4.170 -0.000 0.000 0.285 272 I C -1.288 174.787 176.117 -0.071 0.000 1.039 272 I CA -0.502 60.753 61.300 -0.075 0.000 1.074 272 I CB 1.925 39.721 38.000 -0.340 0.000 1.228 272 I HN 0.294 nan 8.210 nan 0.000 0.436 273 L N 6.462 127.691 121.223 0.010 0.000 2.316 273 L HA 0.601 4.941 4.340 -0.000 0.000 0.280 273 L C -1.166 175.773 176.870 0.115 0.000 1.006 273 L CA 0.168 55.040 54.840 0.054 0.000 0.836 273 L CB 1.001 43.094 42.059 0.057 0.000 1.221 273 L HN 0.518 nan 8.230 nan 0.000 0.418 274 D N 4.114 124.587 120.400 0.121 0.000 2.414 274 D HA 0.535 5.175 4.640 -0.000 0.000 0.241 274 D C -0.040 176.258 176.300 -0.003 0.000 1.008 274 D CA -0.333 53.754 54.000 0.145 0.000 1.001 274 D CB 1.911 42.806 40.800 0.159 0.000 1.277 274 D HN 0.448 nan 8.370 nan 0.000 0.538 275 M N 0.357 119.738 119.600 -0.364 0.000 2.342 275 M HA 0.295 4.774 4.480 -0.000 0.000 0.332 275 M C -0.327 175.703 176.300 -0.449 0.000 1.166 275 M CA -0.914 54.022 55.300 -0.607 0.000 1.086 275 M CB 1.662 33.769 32.600 -0.821 0.000 1.541 275 M HN -0.049 nan 8.290 nan 0.000 0.462 276 V N 4.547 124.251 119.914 -0.351 0.000 2.427 276 V HA 0.057 4.176 4.120 -0.000 0.000 0.268 276 V C 0.869 176.841 176.094 -0.203 0.000 1.046 276 V CA -0.080 62.101 62.300 -0.199 0.000 0.970 276 V CB 0.542 32.288 31.823 -0.128 0.000 1.001 276 V HN 0.738 nan 8.190 nan 0.000 0.476 277 I N 2.642 123.114 120.570 -0.163 0.000 4.009 277 I HA 0.300 4.470 4.170 -0.000 0.000 0.331 277 I C 0.649 176.842 176.117 0.127 0.000 1.462 277 I CA 0.073 61.346 61.300 -0.045 0.000 1.117 277 I CB 0.370 38.260 38.000 -0.184 0.000 1.091 277 I HN 0.641 nan 8.210 nan 0.000 0.410 278 D N -0.214 120.210 120.400 0.040 0.000 2.440 278 D HA 0.081 4.721 4.640 -0.000 0.000 0.216 278 D C 0.175 176.470 176.300 -0.008 0.000 1.150 278 D CA -0.189 53.836 54.000 0.042 0.000 0.832 278 D CB -0.120 40.696 40.800 0.026 0.000 0.992 278 D HN 0.174 nan 8.370 nan 0.000 0.502 279 D N 1.989 122.374 120.400 -0.025 0.000 2.365 279 D HA 0.099 4.738 4.640 -0.000 0.000 0.237 279 D C -1.266 175.004 176.300 -0.049 0.000 1.190 279 D CA -2.026 51.953 54.000 -0.035 0.000 0.867 279 D CB 1.787 42.565 40.800 -0.037 0.000 1.050 279 D HN -0.030 nan 8.370 nan 0.000 0.491 280 P HA -0.092 nan 4.420 nan 0.000 0.225 280 P C 0.571 177.848 177.300 -0.038 0.000 1.148 280 P CA 0.676 63.741 63.100 -0.058 0.000 0.779 280 P CB 0.632 32.303 31.700 -0.049 0.000 0.780 281 E N -0.240 119.945 120.200 -0.025 0.000 2.385 281 E HA 0.072 4.421 4.350 -0.000 0.000 0.194 281 E C 0.276 176.878 176.600 0.003 0.000 1.013 281 E CA 0.455 56.850 56.400 -0.008 0.000 0.866 281 E CB -0.030 29.667 29.700 -0.005 0.000 0.832 281 E HN 0.406 nan 8.360 nan 0.000 0.500 282 N N 1.388 120.082 118.700 -0.011 0.000 2.707 282 N HA 0.223 4.963 4.740 -0.000 0.000 0.249 282 N C -2.804 172.679 175.510 -0.046 0.000 1.299 282 N CA -1.003 52.049 53.050 0.005 0.000 0.769 282 N CB 1.829 40.320 38.487 0.006 0.000 1.236 282 N HN -0.114 nan 8.380 nan 0.000 0.524 283 P HA -0.015 nan 4.420 nan 0.000 0.267 283 P C 0.005 177.101 177.300 -0.340 0.000 1.200 283 P CA 0.033 62.959 63.100 -0.291 0.000 0.772 283 P CB 0.657 32.054 31.700 -0.505 0.000 0.855 284 N N 2.442 121.004 118.700 -0.231 0.000 2.439 284 N HA 0.088 4.828 4.740 -0.000 0.000 0.243 284 N C 0.386 175.805 175.510 -0.152 0.000 1.088 284 N CA 0.045 53.031 53.050 -0.107 0.000 0.940 284 N CB -0.338 38.145 38.487 -0.006 0.000 1.180 284 N HN 0.250 nan 8.380 nan 0.000 0.505 285 F N 0.907 120.923 119.950 0.110 0.000 2.293 285 F HA -0.125 4.401 4.527 -0.001 0.000 0.300 285 F C 2.223 178.103 175.800 0.132 0.000 1.086 285 F CA 0.609 58.669 58.000 0.100 0.000 1.375 285 F CB 0.141 39.173 39.000 0.053 0.000 1.045 285 F HN 0.449 nan 8.300 nan 0.000 0.516 286 D N -0.157 120.419 120.400 0.293 0.000 2.087 286 D HA -0.295 4.345 4.640 -0.000 0.000 0.192 286 D C 2.162 178.704 176.300 0.404 0.000 0.993 286 D CA 1.564 55.750 54.000 0.310 0.000 0.828 286 D CB -0.660 40.294 40.800 0.257 0.000 0.968 286 D HN 0.287 nan 8.370 nan 0.000 0.448 287 Y N 0.607 121.010 120.300 0.171 0.000 2.128 287 Y HA -0.161 4.389 4.550 -0.000 0.000 0.284 287 Y C 2.261 178.316 175.900 0.257 0.000 1.154 287 Y CA 1.007 59.214 58.100 0.178 0.000 1.149 287 Y CB -0.681 37.782 38.460 0.005 0.000 0.976 287 Y HN -0.005 nan 8.280 nan 0.000 0.505 288 L N 0.181 121.485 121.223 0.135 0.000 2.042 288 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 288 L C 2.835 179.799 176.870 0.156 0.000 1.076 288 L CA 2.214 57.123 54.840 0.114 0.000 0.749 288 L CB -1.777 40.312 42.059 0.050 0.000 0.893 288 L HN 0.480 nan 8.230 nan 0.000 0.432 289 S N -1.904 113.883 115.700 0.145 0.000 2.400 289 S HA -0.229 4.241 4.470 -0.000 0.000 0.232 289 S C 1.913 176.518 174.600 0.008 0.000 1.025 289 S CA 1.219 59.451 58.200 0.054 0.000 0.993 289 S CB -0.652 62.545 63.200 -0.005 0.000 0.808 289 S HN 0.553 nan 8.310 nan 0.000 0.478 290 H N -0.975 118.142 119.070 0.078 0.000 2.431 290 H HA 0.070 4.626 4.556 -0.001 0.000 0.295 290 H C 1.988 177.257 175.328 -0.100 0.000 1.038 290 H CA 1.340 57.377 56.048 -0.018 0.000 1.360 290 H CB -0.492 29.283 29.762 0.022 0.000 1.433 290 H HN 0.636 nan 8.280 nan 0.000 0.536 291 Y N 1.564 121.752 120.300 -0.186 0.000 2.145 291 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 291 Y C 2.533 178.394 175.900 -0.066 0.000 1.145 291 Y CA 1.200 59.157 58.100 -0.238 0.000 1.148 291 Y CB -0.457 37.789 38.460 -0.356 0.000 0.981 291 Y HN 0.021 nan 8.280 nan 0.000 0.507 292 I N -0.260 120.334 120.570 0.039 0.000 2.700 292 I HA -0.276 3.894 4.170 -0.000 0.000 0.261 292 I C 1.453 177.570 176.117 0.000 0.000 1.219 292 I CA 0.685 61.987 61.300 0.003 0.000 1.463 292 I CB -0.146 37.976 38.000 0.203 0.000 1.092 292 I HN 0.290 nan 8.210 nan 0.000 0.452 293 L N 0.764 121.892 121.223 -0.158 0.000 2.191 293 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 293 L C 2.556 179.232 176.870 -0.323 0.000 1.103 293 L CA 1.820 56.354 54.840 -0.510 0.000 0.769 293 L CB -2.042 39.461 42.059 -0.926 0.000 0.908 293 L HN 0.323 nan 8.230 nan 0.000 0.438 294 G N -0.873 107.769 108.800 -0.263 0.000 2.499 294 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.221 294 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.221 294 G C 1.610 176.450 174.900 -0.101 0.000 1.109 294 G CA 0.804 45.786 45.100 -0.197 0.000 0.749 294 G HN 0.506 nan 8.290 nan 0.000 0.568 295 A N 0.237 123.037 122.820 -0.033 0.000 2.172 295 A HA 0.328 4.647 4.320 -0.000 0.000 0.216 295 A C 2.246 179.927 177.584 0.161 0.000 1.154 295 A CA 1.486 53.559 52.037 0.061 0.000 0.701 295 A CB -0.197 18.859 19.000 0.094 0.000 0.789 295 A HN 0.513 nan 8.150 nan 0.000 0.465 296 G N -1.144 107.793 108.800 0.228 0.000 3.502 296 G HA2 0.474 4.434 3.960 -0.000 0.000 0.267 296 G HA3 0.474 4.434 3.960 -0.000 0.000 0.267 296 G C 0.128 175.098 174.900 0.116 0.000 1.090 296 G CA -0.294 44.980 45.100 0.290 0.000 0.795 296 G HN 0.394 nan 8.290 nan 0.000 0.535 297 M N 0.125 119.734 119.600 0.015 0.000 2.644 297 M HA 0.356 4.836 4.480 -0.000 0.000 0.304 297 M C -1.583 174.610 176.300 -0.179 0.000 1.215 297 M CA -1.950 53.303 55.300 -0.079 0.000 0.871 297 M CB 2.631 35.189 32.600 -0.070 0.000 1.740 297 M HN -0.225 nan 8.290 nan 0.000 0.464 298 P HA -0.023 nan 4.420 nan 0.000 0.216 298 P C -0.618 176.432 177.300 -0.417 0.000 1.153 298 P CA 1.533 64.331 63.100 -0.502 0.000 0.848 298 P CB 0.013 31.204 31.700 -0.848 0.000 0.787 299 F N -1.670 118.287 119.950 0.010 0.000 2.574 299 F HA 0.667 5.194 4.527 -0.000 0.000 0.313 299 F C -0.294 175.502 175.800 -0.007 0.000 1.130 299 F CA -1.628 56.373 58.000 0.002 0.000 0.936 299 F CB 1.038 40.040 39.000 0.003 0.000 1.219 299 F HN -0.289 nan 8.300 nan 0.000 0.445 300 S N 0.827 116.630 115.700 0.172 0.000 2.532 300 S HA 0.704 5.173 4.470 -0.000 0.000 0.301 300 S C 0.098 174.753 174.600 0.091 0.000 1.083 300 S CA -0.291 57.963 58.200 0.089 0.000 1.025 300 S CB 1.792 64.982 63.200 -0.016 0.000 1.056 300 S HN 1.093 nan 8.310 nan 0.000 0.494 301 V N 2.716 122.668 119.914 0.064 0.000 3.427 301 V HA 0.496 4.616 4.120 -0.000 0.000 0.305 301 V C 0.110 176.241 176.094 0.061 0.000 1.412 301 V CA -0.172 62.157 62.300 0.049 0.000 1.086 301 V CB -0.692 31.135 31.823 0.007 0.000 0.964 301 V HN 0.659 nan 8.190 nan 0.000 0.439 302 L N 2.418 123.691 121.223 0.083 0.000 2.410 302 L HA 0.697 5.036 4.340 -0.000 0.000 0.273 302 L C 0.905 177.913 176.870 0.230 0.000 1.144 302 L CA 0.797 55.721 54.840 0.140 0.000 0.863 302 L CB 0.507 42.645 42.059 0.132 0.000 1.140 302 L HN 0.422 nan 8.230 nan 0.000 0.463 303 G N 2.373 111.251 108.800 0.130 0.000 3.176 303 G HA2 0.712 4.671 3.960 -0.000 0.000 0.272 303 G HA3 0.712 4.671 3.960 -0.000 0.000 0.272 303 G C -1.642 173.134 174.900 -0.207 0.000 1.349 303 G CA -0.450 44.707 45.100 0.095 0.000 0.953 303 G HN 0.268 nan 8.290 nan 0.000 0.559 304 F N -0.087 119.900 119.950 0.062 0.000 2.577 304 F HA 0.704 5.231 4.527 -0.000 0.000 0.318 304 F C 0.333 176.120 175.800 -0.022 0.000 1.065 304 F CA -0.498 57.509 58.000 0.012 0.000 0.929 304 F CB 2.962 41.920 39.000 -0.069 0.000 1.237 304 F HN 0.675 nan 8.300 nan 0.000 0.468 305 K N 0.041 120.520 120.400 0.132 0.000 2.658 305 K HA 0.397 4.717 4.320 -0.000 0.000 0.293 305 K C -1.837 174.752 176.600 -0.017 0.000 1.026 305 K CA -1.110 55.187 56.287 0.017 0.000 0.871 305 K CB 1.425 33.879 32.500 -0.078 0.000 1.524 305 K HN 0.244 nan 8.250 nan 0.000 0.400 306 E N 1.921 122.084 120.200 -0.063 0.000 2.105 306 E HA 0.074 4.424 4.350 -0.000 0.000 0.285 306 E C 0.036 176.552 176.600 -0.140 0.000 1.055 306 E CA 0.122 56.482 56.400 -0.067 0.000 0.843 306 E CB 1.467 31.134 29.700 -0.055 0.000 1.067 306 E HN 0.552 nan 8.360 nan 0.000 0.398 307 Q N 1.666 121.407 119.800 -0.099 0.000 2.291 307 Q HA -0.090 4.249 4.340 -0.000 0.000 0.205 307 Q C 1.692 177.668 176.000 -0.039 0.000 0.970 307 Q CA 1.064 56.796 55.803 -0.119 0.000 0.876 307 Q CB 0.100 28.878 28.738 0.065 0.000 0.935 307 Q HN 0.556 nan 8.270 nan 0.000 0.455 308 A N 1.173 123.982 122.820 -0.018 0.000 2.070 308 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 308 A C 1.778 179.359 177.584 -0.006 0.000 1.159 308 A CA 0.856 52.904 52.037 0.018 0.000 0.656 308 A CB -0.260 18.743 19.000 0.004 0.000 0.800 308 A HN 0.212 nan 8.150 nan 0.000 0.453 309 R N -1.668 118.774 120.500 -0.097 0.000 2.341 309 R HA -0.119 4.221 4.340 -0.000 0.000 0.213 309 R C 1.187 177.434 176.300 -0.088 0.000 1.082 309 R CA 0.924 56.959 56.100 -0.110 0.000 1.017 309 R CB -0.397 29.811 30.300 -0.153 0.000 0.860 309 R HN 0.689 nan 8.270 nan 0.000 0.473 310 Y N 1.123 121.410 120.300 -0.022 0.000 2.315 310 Y HA -0.222 4.328 4.550 -0.001 0.000 0.288 310 Y C 2.381 178.266 175.900 -0.025 0.000 1.154 310 Y CA 1.130 59.210 58.100 -0.033 0.000 1.229 310 Y CB -0.240 38.195 38.460 -0.042 0.000 0.980 310 Y HN -0.020 nan 8.280 nan 0.000 0.540 311 K N 0.465 120.942 120.400 0.129 0.000 1.991 311 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 311 K C 1.851 178.488 176.600 0.061 0.000 1.049 311 K CA 2.045 58.379 56.287 0.080 0.000 0.932 311 K CB -0.039 32.494 32.500 0.056 0.000 0.717 311 K HN 0.179 nan 8.250 nan 0.000 0.441 312 E N 0.833 121.055 120.200 0.037 0.000 2.070 312 E HA -0.211 4.138 4.350 -0.000 0.000 0.197 312 E C 1.905 178.524 176.600 0.032 0.000 1.004 312 E CA 1.432 57.846 56.400 0.024 0.000 0.805 312 E CB -0.214 29.487 29.700 0.002 0.000 0.744 312 E HN 0.319 nan 8.360 nan 0.000 0.451 313 I N 0.396 120.989 120.570 0.038 0.000 2.163 313 I HA -0.252 3.917 4.170 -0.000 0.000 0.243 313 I C 2.311 178.482 176.117 0.091 0.000 1.085 313 I CA 1.407 62.737 61.300 0.051 0.000 1.347 313 I CB -1.323 36.718 38.000 0.068 0.000 1.044 313 I HN 0.135 nan 8.210 nan 0.000 0.408 314 L N 0.299 121.590 121.223 0.113 0.000 2.027 314 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 314 L C 2.570 179.566 176.870 0.210 0.000 1.074 314 L CA 1.276 56.225 54.840 0.181 0.000 0.745 314 L CB -0.666 41.420 42.059 0.045 0.000 0.898 314 L HN 0.220 nan 8.230 nan 0.000 0.433 315 E N -0.117 120.157 120.200 0.122 0.000 2.118 315 E HA -0.239 4.110 4.350 -0.000 0.000 0.195 315 E C 2.305 178.929 176.600 0.040 0.000 0.992 315 E CA 1.490 57.943 56.400 0.088 0.000 0.804 315 E CB -0.119 29.617 29.700 0.060 0.000 0.741 315 E HN 0.400 nan 8.360 nan 0.000 0.458 316 S N 0.581 116.299 115.700 0.029 0.000 2.400 316 S HA -0.139 4.331 4.470 -0.000 0.000 0.232 316 S C 1.854 176.418 174.600 -0.060 0.000 1.025 316 S CA 0.896 59.090 58.200 -0.010 0.000 0.993 316 S CB -0.117 63.081 63.200 -0.003 0.000 0.808 316 S HN 0.226 nan 8.310 nan 0.000 0.478 317 L N 0.071 121.257 121.223 -0.063 0.000 2.509 317 L HA 0.329 4.669 4.340 -0.000 0.000 0.222 317 L C 1.908 178.471 176.870 -0.512 0.000 1.123 317 L CA 0.515 55.206 54.840 -0.248 0.000 0.856 317 L CB -0.096 41.864 42.059 -0.164 0.000 0.985 317 L HN 0.634 nan 8.230 nan 0.000 0.456 318 G N -1.886 106.749 108.800 -0.276 0.000 2.192 318 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.193 318 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.193 318 G C -0.091 174.762 174.900 -0.078 0.000 0.999 318 G CA -0.708 44.239 45.100 -0.255 0.000 0.659 318 G HN 0.094 nan 8.290 nan 0.000 0.503 319 Y N 0.999 121.311 120.300 0.019 0.000 2.397 319 Y HA 0.569 5.118 4.550 -0.000 0.000 0.335 319 Y C 0.997 176.949 175.900 0.088 0.000 1.213 319 Y CA 0.538 58.721 58.100 0.137 0.000 1.391 319 Y CB 0.843 39.378 38.460 0.126 0.000 1.293 319 Y HN 0.199 nan 8.280 nan 0.000 0.557 320 K N 0.257 120.822 120.400 0.274 0.000 2.303 320 K HA 0.258 4.578 4.320 -0.000 0.000 0.233 320 K C -0.862 175.820 176.600 0.137 0.000 1.046 320 K CA -0.663 55.719 56.287 0.159 0.000 0.895 320 K CB 1.044 33.618 32.500 0.123 0.000 1.220 320 K HN 0.660 nan 8.250 nan 0.000 0.470 321 D N 0.268 120.722 120.400 0.090 0.000 2.706 321 D HA -0.165 4.474 4.640 -0.000 0.000 0.230 321 D C -0.586 175.748 176.300 0.057 0.000 1.184 321 D CA 0.539 54.579 54.000 0.066 0.000 0.628 321 D CB -1.247 39.587 40.800 0.058 0.000 1.019 321 D HN 0.127 nan 8.370 nan 0.000 0.415 322 V N 0.196 120.145 119.914 0.058 0.000 2.673 322 V HA 0.330 4.450 4.120 -0.000 0.000 0.303 322 V C 1.217 177.327 176.094 0.027 0.000 1.046 322 V CA 0.923 63.244 62.300 0.036 0.000 1.126 322 V CB 1.182 33.030 31.823 0.042 0.000 0.934 322 V HN 0.520 nan 8.190 nan 0.000 0.487 323 T N 3.123 117.685 114.554 0.014 0.000 2.883 323 T HA 0.844 5.194 4.350 -0.000 0.000 0.296 323 T C -0.904 173.801 174.700 0.009 0.000 1.117 323 T CA -0.980 61.128 62.100 0.014 0.000 1.006 323 T CB 2.091 70.966 68.868 0.013 0.000 1.191 323 T HN 0.431 nan 8.240 nan 0.000 0.508 324 M N 1.644 121.252 119.600 0.013 0.000 2.365 324 M HA 0.637 5.117 4.480 -0.000 0.000 0.287 324 M C -1.626 174.680 176.300 0.010 0.000 1.154 324 M CA -0.949 54.360 55.300 0.014 0.000 0.941 324 M CB 2.761 35.381 32.600 0.032 0.000 1.704 324 M HN 0.658 nan 8.290 nan 0.000 0.479 325 V N 3.077 122.997 119.914 0.009 0.000 2.841 325 V HA 0.688 4.807 4.120 -0.000 0.000 0.310 325 V C -1.499 174.595 176.094 -0.000 0.000 1.090 325 V CA -0.462 61.837 62.300 -0.001 0.000 0.930 325 V CB 2.763 34.583 31.823 -0.004 0.000 1.014 325 V HN 0.914 nan 8.190 nan 0.000 0.425 326 R N 4.687 125.175 120.500 -0.020 0.000 2.480 326 R HA 0.711 5.051 4.340 -0.000 0.000 0.306 326 R C -1.086 175.164 176.300 -0.083 0.000 0.958 326 R CA -0.742 55.344 56.100 -0.023 0.000 0.861 326 R CB 2.155 32.443 30.300 -0.020 0.000 1.171 326 R HN 0.710 nan 8.270 nan 0.000 0.445 327 K N 1.724 122.067 120.400 -0.095 0.000 2.568 327 K HA 0.155 4.475 4.320 -0.000 0.000 0.273 327 K C -1.019 175.502 176.600 -0.131 0.000 0.951 327 K CA -0.732 55.366 56.287 -0.315 0.000 0.854 327 K CB 1.240 33.369 32.500 -0.618 0.000 1.424 327 K HN 0.635 nan 8.250 nan 0.000 0.427 328 Y N 2.030 122.336 120.300 0.010 0.000 3.491 328 Y HA -0.342 4.208 4.550 -0.000 0.000 0.215 328 Y C -0.222 175.732 175.900 0.091 0.000 1.219 328 Y CA 0.817 58.891 58.100 -0.043 0.000 1.485 328 Y CB -1.757 36.724 38.460 0.034 0.000 1.450 328 Y HN 0.878 nan 8.280 nan 0.000 0.603 329 D N -2.813 117.653 120.400 0.109 0.000 3.028 329 D HA -0.201 4.438 4.640 -0.000 0.000 0.207 329 D C -0.093 176.105 176.300 -0.170 0.000 1.100 329 D CA 1.762 55.749 54.000 -0.021 0.000 0.995 329 D CB -1.140 39.623 40.800 -0.061 0.000 1.108 329 D HN 0.701 nan 8.370 nan 0.000 0.421 330 H N -0.895 118.204 119.070 0.048 0.000 2.771 330 H HA 0.741 5.296 4.556 -0.000 0.000 0.367 330 H C -0.264 175.077 175.328 0.021 0.000 1.172 330 H CA -0.786 55.285 56.048 0.039 0.000 1.186 330 H CB 1.767 31.590 29.762 0.102 0.000 1.790 330 H HN 0.039 nan 8.280 nan 0.000 0.556 331 L N 1.789 123.090 121.223 0.130 0.000 2.386 331 L HA 0.542 4.881 4.340 -0.000 0.000 0.271 331 L C -2.008 174.902 176.870 0.066 0.000 0.993 331 L CA -0.860 54.024 54.840 0.074 0.000 0.819 331 L CB 1.599 43.692 42.059 0.056 0.000 1.294 331 L HN 0.535 nan 8.230 nan 0.000 0.414 332 L N 6.225 127.471 121.223 0.039 0.000 2.372 332 L HA 0.739 5.078 4.340 -0.000 0.000 0.273 332 L C -1.297 175.560 176.870 -0.023 0.000 0.989 332 L CA -0.421 54.424 54.840 0.008 0.000 0.841 332 L CB 1.675 43.750 42.059 0.026 0.000 1.225 332 L HN 0.599 nan 8.230 nan 0.000 0.414 333 V N 5.460 125.327 119.914 -0.079 0.000 2.630 333 V HA 0.708 4.828 4.120 -0.000 0.000 0.305 333 V C -0.848 175.188 176.094 -0.096 0.000 1.046 333 V CA -0.074 62.174 62.300 -0.087 0.000 0.934 333 V CB 1.889 33.631 31.823 -0.135 0.000 1.003 333 V HN 0.931 nan 8.190 nan 0.000 0.451 334 Q N 3.684 123.443 119.800 -0.069 0.000 2.389 334 Q HA 0.859 5.199 4.340 -0.000 0.000 0.277 334 Q C -1.066 174.899 176.000 -0.059 0.000 1.082 334 Q CA -0.583 55.180 55.803 -0.066 0.000 0.810 334 Q CB 2.455 31.172 28.738 -0.034 0.000 1.374 334 Q HN 1.193 nan 8.270 nan 0.000 0.422 335 A N 0.767 123.545 122.820 -0.071 0.000 2.594 335 A HA 0.858 5.177 4.320 -0.000 0.000 0.291 335 A C -1.270 176.374 177.584 0.100 0.000 1.105 335 A CA -0.653 51.378 52.037 -0.011 0.000 0.694 335 A CB 1.548 20.449 19.000 -0.165 0.000 1.291 335 A HN 0.525 nan 8.150 nan 0.000 0.410 336 V N -1.342 118.699 119.914 0.211 0.000 2.735 336 V HA 0.690 4.810 4.120 -0.000 0.000 0.310 336 V C -0.253 176.017 176.094 0.293 0.000 1.061 336 V CA -0.979 61.443 62.300 0.204 0.000 0.913 336 V CB 1.586 33.474 31.823 0.108 0.000 1.005 336 V HN 0.946 nan 8.190 nan 0.000 0.428 337 K N 5.683 126.199 120.400 0.193 0.000 2.310 337 K HA 0.390 4.710 4.320 -0.000 0.000 0.290 337 K C -1.990 174.640 176.600 0.050 0.000 1.077 337 K CA -1.697 54.636 56.287 0.077 0.000 0.922 337 K CB 0.834 33.219 32.500 -0.192 0.000 1.057 337 K HN 0.700 nan 8.250 nan 0.000 0.479 338 P HA 0.000 nan 4.420 nan 0.000 0.216 338 P CA 0.000 63.139 63.100 0.065 0.000 0.800 338 P CB 0.000 31.749 31.700 0.082 0.000 0.726