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 1x1q_1_B DATA FIRST_RESID 16 DATA SEQUENCE LTLPDFPLPD ARGRFGPYGG RYVPETLIPA LEELEAAYRE AKKDPAFLEE DATA SEQUENCE LDHYLRQFAG RPTPLYHAKR LSEYWGGAQV FLKREDLLHT GAHKINNTLG DATA SEQUENCE QALLARRXGK RRVIAETGAG QHGVSVATVA ALFGLECVVY XGEEDVRRQA DATA SEQUENCE LNVFRXKLLG AEVRPXXXXX XTLKDATNEA IRDWITNVRT TFYILGSVVG DATA SEQUENCE PHPYPXXVRD FQSVIGEEVK RQSLELFGRL PDALIAAVGG GSNAIGLFAP DATA SEQUENCE FAYLPEGRPK LIGVEAAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXSVS AGLDYPGVGP EHSYYADAGV AEYASVTDEE ALEGFKLLAR DATA SEQUENCE LEGIIPALES AHAIAYAAKV VPEXDKDQVV VINLSGRGDK DVTEVXRLLG 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 16 L HA 0.000 nan 4.340 nan 0.000 0.249 16 L C 0.000 176.898 176.870 0.047 0.000 1.165 16 L CA 0.000 54.862 54.840 0.036 0.000 0.813 16 L CB 0.000 42.079 42.059 0.033 0.000 0.961 17 T N -1.724 112.852 114.554 0.037 0.000 2.810 17 T HA 0.771 5.120 4.350 -0.000 0.000 0.277 17 T C 0.320 175.051 174.700 0.051 0.000 0.973 17 T CA -0.626 61.499 62.100 0.042 0.000 0.949 17 T CB 1.582 70.457 68.868 0.011 0.000 1.075 17 T HN 0.286 nan 8.240 nan 0.000 0.537 18 L N 1.590 122.844 121.223 0.052 0.000 2.416 18 L HA 0.499 4.839 4.340 -0.000 0.000 0.262 18 L C -1.647 175.184 176.870 -0.066 0.000 1.093 18 L CA -2.463 52.408 54.840 0.052 0.000 0.801 18 L CB 1.334 43.457 42.059 0.107 0.000 1.191 18 L HN 0.654 nan 8.230 nan 0.000 0.459 19 P HA 0.103 nan 4.420 nan 0.000 0.278 19 P C -1.389 175.657 177.300 -0.423 0.000 1.238 19 P CA -0.239 62.584 63.100 -0.462 0.000 0.794 19 P CB 1.272 32.456 31.700 -0.860 0.000 0.955 20 D N 1.650 121.764 120.400 -0.477 0.000 2.634 20 D HA 0.281 4.921 4.640 -0.000 0.000 0.318 20 D C -0.748 175.407 176.300 -0.243 0.000 1.226 20 D CA -0.513 53.331 54.000 -0.261 0.000 0.899 20 D CB -0.692 40.012 40.800 -0.160 0.000 1.025 20 D HN -0.018 nan 8.370 nan 0.000 0.501 21 F N 1.136 121.046 119.950 -0.068 0.000 2.459 21 F HA 0.239 4.766 4.527 -0.000 0.000 0.346 21 F C -0.488 175.136 175.800 -0.293 0.000 1.128 21 F CA -1.886 55.990 58.000 -0.207 0.000 1.268 21 F CB 0.288 39.157 39.000 -0.218 0.000 1.161 21 F HN 0.168 nan 8.300 nan 0.000 0.583 22 P HA -0.099 nan 4.420 nan 0.000 0.220 22 P C -0.033 177.110 177.300 -0.262 0.000 1.148 22 P CA 1.418 64.395 63.100 -0.206 0.000 0.803 22 P CB 0.594 32.188 31.700 -0.176 0.000 0.782 23 L N 0.495 121.490 121.223 -0.380 0.000 2.341 23 L HA 0.481 4.821 4.340 -0.000 0.000 0.267 23 L C -2.212 174.450 176.870 -0.348 0.000 1.009 23 L CA -2.582 52.020 54.840 -0.397 0.000 0.819 23 L CB 2.390 44.258 42.059 -0.319 0.000 1.323 23 L HN -0.205 nan 8.230 nan 0.000 0.425 24 P HA 0.155 nan 4.420 nan 0.000 0.293 24 P C -1.459 175.528 177.300 -0.522 0.000 1.304 24 P CA -0.438 62.044 63.100 -1.030 0.000 0.767 24 P CB 0.614 31.404 31.700 -1.517 0.000 1.247 25 D N -1.652 118.471 120.400 -0.463 0.000 2.447 25 D HA 0.207 4.847 4.640 -0.000 0.000 0.265 25 D C 1.399 177.527 176.300 -0.286 0.000 1.250 25 D CA -0.527 53.297 54.000 -0.293 0.000 1.046 25 D CB -0.557 40.108 40.800 -0.226 0.000 1.095 25 D HN 0.331 nan 8.370 nan 0.000 0.555 26 A N -0.196 122.515 122.820 -0.181 0.000 1.997 26 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 26 A C 2.105 179.583 177.584 -0.176 0.000 1.172 26 A CA 1.629 53.591 52.037 -0.124 0.000 0.645 26 A CB -0.683 18.274 19.000 -0.071 0.000 0.813 26 A HN 0.577 nan 8.150 nan 0.000 0.454 27 R N -1.874 118.480 120.500 -0.243 0.000 2.275 27 R HA 0.228 4.568 4.340 -0.000 0.000 0.199 27 R C 1.140 177.131 176.300 -0.515 0.000 0.989 27 R CA 0.545 56.498 56.100 -0.245 0.000 1.016 27 R CB -0.032 30.176 30.300 -0.153 0.000 0.918 27 R HN 0.750 nan 8.270 nan 0.000 0.473 28 G N 1.381 109.678 108.800 -0.838 0.000 2.164 28 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.212 28 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.212 28 G C -0.482 174.189 174.900 -0.382 0.000 1.031 28 G CA -0.608 43.913 45.100 -0.965 0.000 0.730 28 G HN 0.024 nan 8.290 nan 0.000 0.501 29 R N -0.623 119.648 120.500 -0.382 0.000 2.514 29 R HA 0.621 4.961 4.340 -0.000 0.000 0.301 29 R C -0.853 175.258 176.300 -0.316 0.000 0.962 29 R CA -0.881 55.113 56.100 -0.176 0.000 0.882 29 R CB 0.828 31.059 30.300 -0.115 0.000 1.143 29 R HN 0.110 nan 8.270 nan 0.000 0.452 30 F N 1.404 121.333 119.950 -0.035 0.000 2.310 30 F HA 0.315 4.842 4.527 -0.000 0.000 0.365 30 F C 1.419 177.258 175.800 0.065 0.000 1.080 30 F CA 0.010 57.953 58.000 -0.095 0.000 1.187 30 F CB 0.840 39.820 39.000 -0.034 0.000 1.465 30 F HN 0.902 nan 8.300 nan 0.000 0.496 31 G N 3.616 112.468 108.800 0.086 0.000 2.531 31 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.274 31 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.274 31 G C -1.686 173.243 174.900 0.049 0.000 1.159 31 G CA -0.073 45.122 45.100 0.158 0.000 0.969 31 G HN 0.423 nan 8.290 nan 0.000 0.554 32 P HA 0.235 nan 4.420 nan 0.000 0.257 32 P C -0.357 176.757 177.300 -0.311 0.000 1.281 32 P CA 0.513 63.462 63.100 -0.251 0.000 0.826 32 P CB -0.076 31.408 31.700 -0.360 0.000 1.237 33 Y N -0.778 119.605 120.300 0.138 0.000 2.496 33 Y HA 0.556 5.106 4.550 -0.000 0.000 0.331 33 Y C 1.827 177.822 175.900 0.158 0.000 1.140 33 Y CA 0.418 58.597 58.100 0.131 0.000 1.166 33 Y CB 1.576 40.116 38.460 0.133 0.000 1.249 33 Y HN -0.011 nan 8.280 nan 0.000 0.479 34 G N 0.110 109.068 108.800 0.264 0.000 2.541 34 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.201 34 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.201 34 G C 0.615 175.547 174.900 0.054 0.000 1.026 34 G CA -0.506 44.709 45.100 0.191 0.000 0.687 34 G HN 1.158 nan 8.290 nan 0.000 0.492 35 G N 0.730 109.550 108.800 0.033 0.000 2.178 35 G HA2 0.431 4.391 3.960 -0.000 0.000 0.244 35 G HA3 0.431 4.391 3.960 -0.000 0.000 0.244 35 G C -0.020 174.851 174.900 -0.048 0.000 1.213 35 G CA 1.012 46.110 45.100 -0.003 0.000 0.912 35 G HN 0.652 nan 8.290 nan 0.000 0.474 36 R N 0.852 121.330 120.500 -0.037 0.000 2.795 36 R HA 0.408 4.748 4.340 -0.000 0.000 0.275 36 R C -1.395 174.937 176.300 0.053 0.000 0.981 36 R CA -0.957 55.112 56.100 -0.051 0.000 0.917 36 R CB 1.291 31.542 30.300 -0.082 0.000 1.202 36 R HN 0.546 nan 8.270 nan 0.000 0.469 37 Y N 3.331 123.632 120.300 0.003 0.000 2.556 37 Y HA 0.393 4.943 4.550 -0.000 0.000 0.352 37 Y C -1.122 174.791 175.900 0.022 0.000 1.006 37 Y CA -0.355 57.759 58.100 0.023 0.000 1.277 37 Y CB 0.620 39.107 38.460 0.045 0.000 1.136 37 Y HN 0.225 nan 8.280 nan 0.000 0.523 38 V N 9.584 129.506 119.914 0.013 0.000 2.384 38 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 38 V C -1.912 174.165 176.094 -0.028 0.000 1.020 38 V CA -1.970 60.364 62.300 0.056 0.000 0.850 38 V CB 1.304 33.135 31.823 0.014 0.000 0.987 38 V HN 0.712 nan 8.190 nan 0.000 0.436 39 P HA 0.069 nan 4.420 nan 0.000 0.266 39 P C 0.710 177.987 177.300 -0.038 0.000 1.193 39 P CA 0.069 63.212 63.100 0.071 0.000 0.770 39 P CB 0.986 32.743 31.700 0.096 0.000 0.836 40 E N 1.030 121.200 120.200 -0.050 0.000 2.147 40 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 40 E C 1.569 178.120 176.600 -0.081 0.000 1.005 40 E CA 2.123 58.481 56.400 -0.070 0.000 0.810 40 E CB -0.691 28.977 29.700 -0.053 0.000 0.736 40 E HN 0.673 nan 8.360 nan 0.000 0.460 41 T N -1.124 113.382 114.554 -0.080 0.000 3.160 41 T HA 0.031 4.381 4.350 -0.000 0.000 0.257 41 T C 1.650 176.242 174.700 -0.179 0.000 1.147 41 T CA 0.315 62.347 62.100 -0.114 0.000 1.064 41 T CB 0.119 68.927 68.868 -0.100 0.000 0.949 41 T HN 0.089 nan 8.240 nan 0.000 0.526 42 L N -0.469 120.651 121.223 -0.172 0.000 2.515 42 L HA 0.394 4.734 4.340 -0.000 0.000 0.223 42 L C 2.195 178.938 176.870 -0.213 0.000 1.079 42 L CA 0.185 54.872 54.840 -0.255 0.000 0.857 42 L CB -0.038 41.915 42.059 -0.176 0.000 1.050 42 L HN 0.215 nan 8.230 nan 0.000 0.476 43 I N 1.622 122.111 120.570 -0.136 0.000 2.194 43 I HA -0.235 3.935 4.170 -0.000 0.000 0.246 43 I C -0.372 175.681 176.117 -0.106 0.000 1.093 43 I CA 1.486 62.726 61.300 -0.099 0.000 1.355 43 I CB -1.606 36.344 38.000 -0.083 0.000 1.046 43 I HN 0.266 nan 8.210 nan 0.000 0.413 44 P HA -0.118 nan 4.420 nan 0.000 0.219 44 P C 1.359 178.580 177.300 -0.132 0.000 1.150 44 P CA 1.746 64.778 63.100 -0.113 0.000 0.814 44 P CB 0.059 31.693 31.700 -0.110 0.000 0.787 45 A N 0.104 122.790 122.820 -0.223 0.000 1.968 45 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 45 A C 2.362 179.896 177.584 -0.084 0.000 1.169 45 A CA 0.942 52.830 52.037 -0.248 0.000 0.638 45 A CB -1.421 17.170 19.000 -0.682 0.000 0.812 45 A HN 0.119 nan 8.150 nan 0.000 0.446 46 L N -1.060 120.119 121.223 -0.072 0.000 2.217 46 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 46 L C 2.467 179.314 176.870 -0.038 0.000 1.107 46 L CA 1.142 55.989 54.840 0.012 0.000 0.783 46 L CB -0.372 41.715 42.059 0.046 0.000 0.919 46 L HN 0.458 nan 8.230 nan 0.000 0.442 47 E N -0.319 119.857 120.200 -0.041 0.000 2.107 47 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 47 E C 2.107 178.690 176.600 -0.029 0.000 0.982 47 E CA 0.574 56.954 56.400 -0.033 0.000 0.809 47 E CB 0.247 29.929 29.700 -0.031 0.000 0.756 47 E HN 0.320 nan 8.360 nan 0.000 0.459 48 E N 0.628 120.813 120.200 -0.025 0.000 2.072 48 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 48 E C 2.153 178.758 176.600 0.008 0.000 0.985 48 E CA 0.512 56.908 56.400 -0.006 0.000 0.801 48 E CB -0.224 29.477 29.700 0.002 0.000 0.750 48 E HN 0.162 nan 8.360 nan 0.000 0.452 49 L N 1.781 123.004 121.223 -0.001 0.000 2.042 49 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 49 L C 2.247 179.106 176.870 -0.019 0.000 1.076 49 L CA 1.951 56.782 54.840 -0.015 0.000 0.749 49 L CB -0.459 41.531 42.059 -0.115 0.000 0.893 49 L HN 0.108 nan 8.230 nan 0.000 0.432 50 E N -0.754 119.406 120.200 -0.067 0.000 2.051 50 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 50 E C 2.112 178.721 176.600 0.016 0.000 0.991 50 E CA 1.161 57.527 56.400 -0.058 0.000 0.799 50 E CB -0.184 29.455 29.700 -0.102 0.000 0.748 50 E HN 0.610 nan 8.360 nan 0.000 0.449 51 A N 1.361 124.180 122.820 -0.001 0.000 1.865 51 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 51 A C 2.434 180.007 177.584 -0.017 0.000 1.191 51 A CA 2.198 54.229 52.037 -0.009 0.000 0.623 51 A CB -1.014 17.979 19.000 -0.011 0.000 0.826 51 A HN 0.432 nan 8.150 nan 0.000 0.444 52 A N -1.600 121.224 122.820 0.007 0.000 1.883 52 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 52 A C 2.199 179.754 177.584 -0.049 0.000 1.186 52 A CA 1.764 53.797 52.037 -0.006 0.000 0.624 52 A CB -0.960 18.074 19.000 0.057 0.000 0.822 52 A HN 0.780 nan 8.150 nan 0.000 0.444 53 Y N 0.036 120.285 120.300 -0.085 0.000 2.145 53 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 53 Y C 2.603 178.419 175.900 -0.141 0.000 1.145 53 Y CA 2.282 60.312 58.100 -0.116 0.000 1.148 53 Y CB -0.206 38.204 38.460 -0.084 0.000 0.981 53 Y HN 0.251 nan 8.280 nan 0.000 0.507 54 R N 0.166 120.544 120.500 -0.203 0.000 2.091 54 R HA -0.186 4.153 4.340 -0.000 0.000 0.238 54 R C 2.161 178.293 176.300 -0.279 0.000 1.136 54 R CA 1.832 57.786 56.100 -0.244 0.000 0.959 54 R CB -0.268 29.988 30.300 -0.075 0.000 0.856 54 R HN 0.290 nan 8.270 nan 0.000 0.437 55 E N -0.411 119.658 120.200 -0.219 0.000 2.106 55 E HA -0.045 4.304 4.350 -0.000 0.000 0.192 55 E C 1.684 178.119 176.600 -0.275 0.000 0.984 55 E CA 1.294 57.577 56.400 -0.194 0.000 0.806 55 E CB -0.111 29.509 29.700 -0.133 0.000 0.750 55 E HN 0.391 nan 8.360 nan 0.000 0.458 56 A N 1.468 124.030 122.820 -0.430 0.000 1.902 56 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 56 A C 1.927 179.182 177.584 -0.549 0.000 1.181 56 A CA 1.910 53.545 52.037 -0.671 0.000 0.623 56 A CB -0.612 17.691 19.000 -1.161 0.000 0.818 56 A HN 0.314 nan 8.150 nan 0.000 0.443 57 K N -0.211 119.877 120.400 -0.519 0.000 2.555 57 K HA -0.013 4.306 4.320 -0.000 0.000 0.193 57 K C 1.111 177.634 176.600 -0.128 0.000 1.032 57 K CA 1.280 57.413 56.287 -0.256 0.000 1.004 57 K CB -0.079 32.194 32.500 -0.378 0.000 0.804 57 K HN 0.404 nan 8.250 nan 0.000 0.496 58 K N 0.573 120.887 120.400 -0.144 0.000 2.352 58 K HA 0.014 4.334 4.320 -0.000 0.000 0.194 58 K C -0.096 176.483 176.600 -0.035 0.000 1.038 58 K CA 0.061 56.299 56.287 -0.083 0.000 1.023 58 K CB 0.283 32.727 32.500 -0.093 0.000 0.840 58 K HN 0.097 nan 8.250 nan 0.000 0.519 59 D N 1.344 121.733 120.400 -0.019 0.000 2.339 59 D HA 0.095 4.734 4.640 -0.000 0.000 0.241 59 D C -2.015 174.344 176.300 0.098 0.000 1.183 59 D CA -2.516 51.505 54.000 0.035 0.000 0.859 59 D CB 1.622 42.442 40.800 0.034 0.000 1.067 59 D HN -0.194 nan 8.370 nan 0.000 0.484 60 P HA -0.182 nan 4.420 nan 0.000 0.216 60 P C 1.003 178.344 177.300 0.068 0.000 1.154 60 P CA 1.780 64.915 63.100 0.057 0.000 0.865 60 P CB 0.200 31.918 31.700 0.028 0.000 0.789 61 A N -1.672 121.189 122.820 0.068 0.000 1.978 61 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 61 A C 2.104 179.742 177.584 0.090 0.000 1.170 61 A CA 1.463 53.535 52.037 0.058 0.000 0.636 61 A CB -1.791 17.240 19.000 0.051 0.000 0.810 61 A HN 0.206 nan 8.150 nan 0.000 0.448 62 F N 0.350 120.300 119.950 -0.000 0.000 2.163 62 F HA -0.022 4.505 4.527 -0.000 0.000 0.297 62 F C 1.867 177.694 175.800 0.046 0.000 1.094 62 F CA 1.441 59.450 58.000 0.014 0.000 1.290 62 F CB -0.126 38.877 39.000 0.004 0.000 1.017 62 F HN 0.128 nan 8.300 nan 0.000 0.483 63 L N 0.201 121.485 121.223 0.101 0.000 2.083 63 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 63 L C 2.457 179.310 176.870 -0.029 0.000 1.083 63 L CA 1.827 56.688 54.840 0.036 0.000 0.752 63 L CB -0.944 41.175 42.059 0.099 0.000 0.899 63 L HN 0.276 nan 8.230 nan 0.000 0.433 64 E N 0.564 120.753 120.200 -0.017 0.000 2.051 64 E HA -0.248 4.101 4.350 -0.000 0.000 0.192 64 E C 2.079 178.653 176.600 -0.043 0.000 0.991 64 E CA 1.309 57.696 56.400 -0.021 0.000 0.799 64 E CB 0.070 29.758 29.700 -0.020 0.000 0.748 64 E HN 0.460 nan 8.360 nan 0.000 0.449 65 E N 0.093 120.242 120.200 -0.086 0.000 2.106 65 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 65 E C 2.186 178.814 176.600 0.047 0.000 0.984 65 E CA 0.630 56.992 56.400 -0.063 0.000 0.806 65 E CB -0.040 29.642 29.700 -0.029 0.000 0.750 65 E HN 0.201 nan 8.360 nan 0.000 0.458 66 L N 1.921 123.083 121.223 -0.101 0.000 1.994 66 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 66 L C 2.064 178.971 176.870 0.061 0.000 1.071 66 L CA 1.970 56.776 54.840 -0.057 0.000 0.745 66 L CB -0.559 41.371 42.059 -0.215 0.000 0.892 66 L HN 0.101 nan 8.230 nan 0.000 0.431 67 D N -1.801 118.619 120.400 0.032 0.000 2.097 67 D HA -0.318 4.321 4.640 -0.000 0.000 0.195 67 D C 2.074 178.396 176.300 0.037 0.000 0.989 67 D CA 1.608 55.636 54.000 0.046 0.000 0.827 67 D CB 0.002 40.823 40.800 0.035 0.000 0.966 67 D HN 0.666 nan 8.370 nan 0.000 0.456 68 H N -0.943 118.071 119.070 -0.093 0.000 2.289 68 H HA -0.220 4.336 4.556 -0.000 0.000 0.296 68 H C 1.835 177.061 175.328 -0.169 0.000 1.091 68 H CA 2.249 58.187 56.048 -0.183 0.000 1.274 68 H CB -0.389 29.169 29.762 -0.341 0.000 1.364 68 H HN 0.167 nan 8.280 nan 0.000 0.490 69 Y N 0.089 120.455 120.300 0.111 0.000 2.263 69 Y HA -0.090 4.460 4.550 -0.000 0.000 0.292 69 Y C 2.614 178.551 175.900 0.062 0.000 1.130 69 Y CA 1.049 59.193 58.100 0.073 0.000 1.179 69 Y CB -0.383 38.142 38.460 0.109 0.000 0.998 69 Y HN 0.210 nan 8.280 nan 0.000 0.532 70 L N -0.661 120.677 121.223 0.190 0.000 2.079 70 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 70 L C 2.409 179.321 176.870 0.069 0.000 1.081 70 L CA 1.509 56.430 54.840 0.135 0.000 0.752 70 L CB -0.381 41.742 42.059 0.108 0.000 0.896 70 L HN 0.170 nan 8.230 nan 0.000 0.433 71 R N -0.890 119.610 120.500 0.000 0.000 2.052 71 R HA -0.072 4.268 4.340 -0.000 0.000 0.226 71 R C 2.309 178.559 176.300 -0.083 0.000 1.145 71 R CA 0.822 56.895 56.100 -0.046 0.000 0.952 71 R CB -0.189 30.066 30.300 -0.075 0.000 0.847 71 R HN 0.259 nan 8.270 nan 0.000 0.431 72 Q N -0.508 119.181 119.800 -0.185 0.000 2.311 72 Q HA -0.066 4.274 4.340 -0.000 0.000 0.203 72 Q C 1.540 177.522 176.000 -0.030 0.000 0.954 72 Q CA 1.128 56.823 55.803 -0.179 0.000 0.885 72 Q CB 0.070 28.564 28.738 -0.406 0.000 0.963 72 Q HN 0.265 nan 8.270 nan 0.000 0.471 73 F N 0.233 120.116 119.950 -0.112 0.000 2.399 73 F HA 0.284 4.811 4.527 -0.000 0.000 0.282 73 F C 2.019 177.757 175.800 -0.104 0.000 1.027 73 F CA 0.863 58.803 58.000 -0.101 0.000 1.333 73 F CB -0.250 38.748 39.000 -0.003 0.000 1.132 73 F HN -0.053 nan 8.300 nan 0.000 0.590 74 A N -0.220 122.599 122.820 -0.003 0.000 1.970 74 A HA 0.328 4.648 4.320 -0.000 0.000 0.216 74 A C 1.824 179.378 177.584 -0.049 0.000 1.170 74 A CA 1.223 53.232 52.037 -0.046 0.000 0.645 74 A CB -1.265 17.793 19.000 0.097 0.000 0.816 74 A HN 1.136 nan 8.150 nan 0.000 0.447 75 G N -1.342 107.437 108.800 -0.036 0.000 2.138 75 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.193 75 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.193 75 G C 0.165 175.066 174.900 0.002 0.000 0.998 75 G CA -0.002 45.079 45.100 -0.031 0.000 0.668 75 G HN 0.561 nan 8.290 nan 0.000 0.516 76 R N 0.916 121.429 120.500 0.022 0.000 2.641 76 R HA 0.405 4.744 4.340 -0.000 0.000 0.269 76 R C -2.098 174.217 176.300 0.024 0.000 1.074 76 R CA -1.009 55.115 56.100 0.040 0.000 1.133 76 R CB 0.566 30.903 30.300 0.063 0.000 1.029 76 R HN 0.222 nan 8.270 nan 0.000 0.488 77 P HA 0.040 nan 4.420 nan 0.000 0.278 77 P C -0.510 176.821 177.300 0.052 0.000 1.238 77 P CA -0.346 62.784 63.100 0.051 0.000 0.794 77 P CB 1.019 32.748 31.700 0.047 0.000 0.955 78 T N -0.517 114.079 114.554 0.070 0.000 2.909 78 T HA 0.411 4.761 4.350 -0.000 0.000 0.289 78 T C -2.224 172.528 174.700 0.086 0.000 1.005 78 T CA -2.207 59.936 62.100 0.072 0.000 1.084 78 T CB 0.352 69.271 68.868 0.085 0.000 0.975 78 T HN 0.283 nan 8.240 nan 0.000 0.509 79 P HA 0.174 nan 4.420 nan 0.000 0.271 79 P C -0.752 176.655 177.300 0.179 0.000 1.218 79 P CA -0.657 62.517 63.100 0.123 0.000 0.780 79 P CB 0.617 32.390 31.700 0.121 0.000 0.901 80 L N 5.058 126.401 121.223 0.201 0.000 2.314 80 L HA 0.312 4.652 4.340 -0.000 0.000 0.275 80 L C -0.738 176.390 176.870 0.431 0.000 1.068 80 L CA -0.997 54.004 54.840 0.269 0.000 0.894 80 L CB -0.807 41.341 42.059 0.149 0.000 1.275 80 L HN 0.233 nan 8.230 nan 0.000 0.432 81 Y N 4.025 124.494 120.300 0.281 0.000 2.319 81 Y HA 0.228 4.778 4.550 -0.000 0.000 0.328 81 Y C -0.168 175.862 175.900 0.216 0.000 1.133 81 Y CA -0.305 57.937 58.100 0.237 0.000 1.265 81 Y CB 0.424 38.954 38.460 0.116 0.000 1.218 81 Y HN 0.656 nan 8.280 nan 0.000 0.508 82 H N 5.370 124.018 119.070 -0.704 0.000 2.782 82 H HA 0.530 5.086 4.556 -0.000 0.000 0.285 82 H C -0.713 173.888 175.328 -1.213 0.000 1.093 82 H CA -0.578 54.809 56.048 -1.102 0.000 1.410 82 H CB 0.567 29.837 29.762 -0.819 0.000 1.439 82 H HN 0.887 nan 8.280 nan 0.000 0.469 83 A N 6.113 128.519 122.820 -0.691 0.000 2.922 83 A HA 0.095 4.415 4.320 -0.000 0.000 0.298 83 A C 1.210 178.482 177.584 -0.520 0.000 1.588 83 A CA -0.550 51.184 52.037 -0.506 0.000 1.288 83 A CB -0.229 18.653 19.000 -0.196 0.000 1.130 83 A HN 0.904 nan 8.150 nan 0.000 0.557 84 K N 0.861 120.849 120.400 -0.686 0.000 2.009 84 K HA -0.168 4.151 4.320 -0.000 0.000 0.210 84 K C 1.887 178.297 176.600 -0.316 0.000 1.049 84 K CA 1.732 57.658 56.287 -0.602 0.000 0.929 84 K CB -0.083 32.091 32.500 -0.544 0.000 0.714 84 K HN 0.644 nan 8.250 nan 0.000 0.440 85 R N 0.624 120.982 120.500 -0.237 0.000 2.127 85 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 85 R C 2.360 178.548 176.300 -0.187 0.000 1.134 85 R CA 1.023 57.024 56.100 -0.164 0.000 0.975 85 R CB -0.308 29.910 30.300 -0.136 0.000 0.865 85 R HN 0.150 nan 8.270 nan 0.000 0.447 86 L N 0.080 121.134 121.223 -0.282 0.000 2.270 86 L HA 0.033 4.373 4.340 -0.000 0.000 0.210 86 L C 1.812 178.476 176.870 -0.344 0.000 1.104 86 L CA 1.365 55.940 54.840 -0.442 0.000 0.804 86 L CB 0.118 41.850 42.059 -0.544 0.000 0.937 86 L HN -0.068 nan 8.230 nan 0.000 0.450 87 S N -0.665 114.922 115.700 -0.190 0.000 2.406 87 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 87 S C 1.810 176.425 174.600 0.024 0.000 1.020 87 S CA 1.169 59.355 58.200 -0.024 0.000 0.965 87 S CB -0.149 63.039 63.200 -0.020 0.000 0.798 87 S HN 0.561 nan 8.310 nan 0.000 0.488 88 E N -0.107 120.075 120.200 -0.031 0.000 2.112 88 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 88 E C 1.788 178.415 176.600 0.045 0.000 0.979 88 E CA 0.618 57.018 56.400 -0.000 0.000 0.814 88 E CB -0.149 29.532 29.700 -0.033 0.000 0.762 88 E HN 0.618 nan 8.360 nan 0.000 0.460 89 Y N -0.110 120.121 120.300 -0.115 0.000 2.114 89 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 89 Y C 1.707 177.631 175.900 0.040 0.000 1.143 89 Y CA 1.803 59.841 58.100 -0.104 0.000 1.135 89 Y CB -0.264 38.044 38.460 -0.254 0.000 0.980 89 Y HN 0.164 nan 8.280 nan 0.000 0.499 90 W N 0.331 121.758 121.300 0.213 0.000 2.699 90 W HA 0.160 4.820 4.660 -0.000 0.000 0.249 90 W C 2.143 178.661 176.519 -0.002 0.000 1.280 90 W CA 1.424 58.829 57.345 0.100 0.000 1.345 90 W CB -1.146 28.376 29.460 0.102 0.000 1.128 90 W HN 0.451 nan 8.180 nan 0.000 0.642 91 G N -0.156 108.763 108.800 0.197 0.000 2.228 91 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.270 91 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.270 91 G C 0.987 175.939 174.900 0.088 0.000 0.976 91 G CA 0.866 46.022 45.100 0.093 0.000 0.636 91 G HN 0.552 nan 8.290 nan 0.000 0.542 92 G N 0.274 109.152 108.800 0.130 0.000 3.086 92 G HA2 0.709 4.669 3.960 -0.000 0.000 0.159 92 G HA3 0.709 4.669 3.960 -0.000 0.000 0.159 92 G C 0.916 175.863 174.900 0.078 0.000 1.654 92 G CA 0.636 45.781 45.100 0.075 0.000 1.078 92 G HN 1.510 nan 8.290 nan 0.000 0.558 93 A N -1.210 121.649 122.820 0.066 0.000 2.366 93 A HA 0.488 4.808 4.320 -0.000 0.000 0.250 93 A C 0.305 177.949 177.584 0.100 0.000 1.099 93 A CA -0.117 51.953 52.037 0.056 0.000 0.794 93 A CB 0.145 19.159 19.000 0.024 0.000 1.056 93 A HN 0.384 nan 8.150 nan 0.000 0.499 94 Q N -0.031 119.815 119.800 0.077 0.000 2.313 94 Q HA 0.347 4.687 4.340 -0.000 0.000 0.266 94 Q C -0.665 175.404 176.000 0.115 0.000 0.989 94 Q CA 0.107 55.968 55.803 0.098 0.000 0.890 94 Q CB 1.039 29.810 28.738 0.055 0.000 1.200 94 Q HN 0.375 nan 8.270 nan 0.000 0.396 95 V N 4.553 124.511 119.914 0.074 0.000 2.384 95 V HA 0.419 4.539 4.120 -0.000 0.000 0.287 95 V C -0.472 175.588 176.094 -0.057 0.000 1.020 95 V CA -0.516 61.851 62.300 0.111 0.000 0.850 95 V CB 0.495 32.419 31.823 0.168 0.000 0.987 95 V HN 0.530 nan 8.190 nan 0.000 0.436 96 F N 4.704 124.741 119.950 0.145 0.000 2.469 96 F HA 0.641 5.168 4.527 -0.000 0.000 0.332 96 F C 0.004 175.906 175.800 0.171 0.000 1.103 96 F CA -0.680 57.413 58.000 0.155 0.000 0.979 96 F CB 1.771 40.877 39.000 0.176 0.000 1.137 96 F HN 0.213 nan 8.300 nan 0.000 0.463 97 L N 3.615 125.044 121.223 0.345 0.000 2.298 97 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 97 L C -0.303 176.739 176.870 0.287 0.000 1.013 97 L CA -1.181 53.834 54.840 0.292 0.000 0.824 97 L CB 1.339 43.563 42.059 0.276 0.000 1.221 97 L HN 0.371 nan 8.230 nan 0.000 0.418 98 K N 3.897 124.435 120.400 0.231 0.000 2.315 98 K HA 0.094 4.414 4.320 -0.000 0.000 0.291 98 K C 0.248 176.941 176.600 0.156 0.000 1.074 98 K CA -0.090 56.314 56.287 0.196 0.000 0.936 98 K CB 0.252 32.858 32.500 0.176 0.000 1.049 98 K HN 0.257 nan 8.250 nan 0.000 0.471 99 R N 4.022 124.610 120.500 0.147 0.000 4.886 99 R HA -0.013 4.327 4.340 -0.000 0.000 0.181 99 R C -0.077 176.273 176.300 0.083 0.000 1.989 99 R CA 0.042 56.200 56.100 0.096 0.000 1.623 99 R CB -0.252 30.088 30.300 0.065 0.000 1.383 99 R HN 0.599 nan 8.270 nan 0.000 0.847 100 E N 0.976 121.234 120.200 0.096 0.000 2.515 100 E HA -0.132 4.218 4.350 -0.000 0.000 0.201 100 E C 0.915 177.571 176.600 0.093 0.000 1.071 100 E CA 0.621 57.086 56.400 0.108 0.000 0.880 100 E CB 0.182 29.962 29.700 0.132 0.000 0.828 100 E HN 0.515 nan 8.360 nan 0.000 0.540 101 D N -0.210 120.229 120.400 0.065 0.000 2.355 101 D HA -0.111 4.529 4.640 -0.000 0.000 0.218 101 D C 1.644 177.954 176.300 0.017 0.000 1.004 101 D CA 0.150 54.175 54.000 0.043 0.000 0.880 101 D CB -0.202 40.614 40.800 0.026 0.000 0.911 101 D HN 0.241 nan 8.370 nan 0.000 0.528 102 L N -0.045 121.189 121.223 0.018 0.000 2.509 102 L HA 0.183 4.523 4.340 -0.000 0.000 0.222 102 L C 1.137 178.011 176.870 0.006 0.000 1.123 102 L CA -0.130 54.711 54.840 0.001 0.000 0.856 102 L CB -0.041 42.016 42.059 -0.002 0.000 0.985 102 L HN -0.074 nan 8.230 nan 0.000 0.456 103 L N -0.029 121.208 121.223 0.023 0.000 2.483 103 L HA -0.049 4.291 4.340 -0.000 0.000 0.276 103 L C 0.709 177.579 176.870 0.000 0.000 1.213 103 L CA -0.186 54.667 54.840 0.022 0.000 0.843 103 L CB -0.013 42.074 42.059 0.047 0.000 1.107 103 L HN 0.090 nan 8.230 nan 0.000 0.487 104 H N 2.072 121.056 119.070 -0.144 0.000 3.038 104 H HA -0.044 4.512 4.556 -0.000 0.000 0.338 104 H C 1.069 176.307 175.328 -0.149 0.000 1.041 104 H CA 0.848 56.764 56.048 -0.220 0.000 1.394 104 H CB 0.565 30.052 29.762 -0.458 0.000 1.357 104 H HN 0.769 nan 8.280 nan 0.000 0.600 105 T N 0.395 114.573 114.554 -0.627 0.000 8.650 105 T HA -0.256 4.094 4.350 -0.000 0.000 0.321 105 T C 1.709 176.296 174.700 -0.189 0.000 2.013 105 T CA 2.171 64.012 62.100 -0.432 0.000 3.192 105 T CB -2.334 66.332 68.868 -0.336 0.000 2.061 105 T HN 2.036 nan 8.240 nan 0.000 1.035 106 G N 1.197 109.925 108.800 -0.119 0.000 2.176 106 G HA2 0.271 4.230 3.960 -0.000 0.000 0.253 106 G HA3 0.271 4.230 3.960 -0.000 0.000 0.253 106 G C 0.422 175.324 174.900 0.003 0.000 0.979 106 G CA 0.840 45.914 45.100 -0.044 0.000 0.641 106 G HN 2.240 nan 8.290 nan 0.000 0.530 107 A N -0.598 122.215 122.820 -0.011 0.000 2.374 107 A HA 0.801 5.121 4.320 -0.000 0.000 0.317 107 A C 0.586 178.186 177.584 0.026 0.000 1.094 107 A CA 0.512 52.562 52.037 0.022 0.000 0.765 107 A CB 0.617 19.591 19.000 -0.043 0.000 1.268 107 A HN 1.290 nan 8.150 nan 0.000 0.438 108 H N 0.889 119.991 119.070 0.053 0.000 2.462 108 H HA -0.080 4.476 4.556 -0.000 0.000 0.292 108 H C 1.400 176.780 175.328 0.088 0.000 1.049 108 H CA 1.418 57.511 56.048 0.073 0.000 1.334 108 H CB -0.087 29.723 29.762 0.081 0.000 1.404 108 H HN 0.663 nan 8.280 nan 0.000 0.544 109 K N 1.114 121.052 120.400 -0.770 0.000 2.362 109 K HA -0.181 4.139 4.320 -0.000 0.000 0.202 109 K C 1.958 178.503 176.600 -0.092 0.000 1.045 109 K CA 1.679 57.717 56.287 -0.416 0.000 0.936 109 K CB -0.394 31.915 32.500 -0.318 0.000 0.747 109 K HN 0.516 nan 8.250 nan 0.000 0.467 110 I N 1.816 122.357 120.570 -0.050 0.000 2.567 110 I HA -0.241 3.929 4.170 -0.000 0.000 0.257 110 I C 1.125 177.275 176.117 0.055 0.000 1.184 110 I CA 0.862 62.172 61.300 0.017 0.000 1.451 110 I CB -0.143 37.881 38.000 0.041 0.000 1.089 110 I HN 0.294 nan 8.210 nan 0.000 0.441 111 N N 1.070 119.821 118.700 0.085 0.000 2.166 111 N HA -0.229 4.510 4.740 -0.000 0.000 0.186 111 N C 1.596 177.158 175.510 0.086 0.000 1.019 111 N CA 1.588 54.709 53.050 0.118 0.000 0.856 111 N CB -0.648 37.955 38.487 0.193 0.000 0.993 111 N HN 0.468 nan 8.380 nan 0.000 0.426 112 N N 0.648 119.425 118.700 0.128 0.000 2.207 112 N HA -0.105 4.635 4.740 -0.000 0.000 0.182 112 N C 1.764 177.292 175.510 0.030 0.000 1.020 112 N CA 1.957 55.112 53.050 0.176 0.000 0.858 112 N CB -0.310 38.325 38.487 0.248 0.000 0.991 112 N HN 0.281 nan 8.380 nan 0.000 0.427 113 T N -1.037 113.532 114.554 0.024 0.000 2.777 113 T HA -0.064 4.285 4.350 -0.000 0.000 0.266 113 T C 2.084 176.744 174.700 -0.067 0.000 1.040 113 T CA 0.864 62.957 62.100 -0.012 0.000 1.141 113 T CB -0.711 68.141 68.868 -0.027 0.000 0.868 113 T HN 0.167 nan 8.240 nan 0.000 0.444 114 L N 1.031 122.221 121.223 -0.055 0.000 2.042 114 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 114 L C 3.143 179.911 176.870 -0.170 0.000 1.076 114 L CA 1.622 56.450 54.840 -0.020 0.000 0.749 114 L CB -1.066 41.005 42.059 0.020 0.000 0.893 114 L HN 0.534 nan 8.230 nan 0.000 0.432 115 G N -1.296 107.204 108.800 -0.500 0.000 2.421 115 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 115 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 115 G C 1.465 176.000 174.900 -0.607 0.000 1.171 115 G CA 0.325 44.786 45.100 -1.065 0.000 0.775 115 G HN 0.380 nan 8.290 nan 0.000 0.543 116 Q N 0.033 119.609 119.800 -0.372 0.000 2.119 116 Q HA 0.038 4.377 4.340 -0.000 0.000 0.201 116 Q C 2.995 178.660 176.000 -0.559 0.000 0.972 116 Q CA 1.093 56.768 55.803 -0.214 0.000 0.847 116 Q CB -0.213 28.557 28.738 0.053 0.000 0.903 116 Q HN 0.481 nan 8.270 nan 0.000 0.433 117 A N 0.565 123.166 122.820 -0.365 0.000 1.969 117 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 117 A C 1.974 179.231 177.584 -0.546 0.000 1.169 117 A CA 0.845 52.670 52.037 -0.352 0.000 0.635 117 A CB -0.387 18.622 19.000 0.016 0.000 0.810 117 A HN 0.309 nan 8.150 nan 0.000 0.445 118 L N -0.948 119.939 121.223 -0.561 0.000 2.056 118 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 118 L C 2.194 178.956 176.870 -0.180 0.000 1.078 118 L CA 1.490 55.961 54.840 -0.615 0.000 0.749 118 L CB -0.482 41.306 42.059 -0.451 0.000 0.901 118 L HN 0.352 nan 8.230 nan 0.000 0.433 119 L N -0.252 120.934 121.223 -0.061 0.000 2.046 119 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 119 L C 2.509 179.313 176.870 -0.110 0.000 1.077 119 L CA 2.082 56.941 54.840 0.031 0.000 0.747 119 L CB -1.205 40.938 42.059 0.140 0.000 0.896 119 L HN 0.270 nan 8.230 nan 0.000 0.432 120 A N -0.537 122.016 122.820 -0.445 0.000 1.933 120 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 120 A C 2.554 180.083 177.584 -0.093 0.000 1.175 120 A CA 1.840 53.726 52.037 -0.252 0.000 0.628 120 A CB -0.624 18.084 19.000 -0.487 0.000 0.814 120 A HN 0.499 nan 8.150 nan 0.000 0.444 121 R N -0.408 119.977 120.500 -0.192 0.000 2.075 121 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 121 R C 1.696 177.956 176.300 -0.067 0.000 1.126 121 R CA 0.889 56.902 56.100 -0.146 0.000 0.963 121 R CB -0.186 29.945 30.300 -0.282 0.000 0.858 121 R HN 0.569 nan 8.270 nan 0.000 0.435 125 K N 0.951 121.404 120.400 0.088 0.000 2.237 125 K HA 0.371 4.691 4.320 -0.000 0.000 0.270 125 K C 1.118 177.762 176.600 0.073 0.000 1.015 125 K CA -0.358 55.999 56.287 0.117 0.000 0.949 125 K CB 1.458 34.078 32.500 0.200 0.000 0.976 125 K HN 0.552 nan 8.250 nan 0.000 0.472 126 R N 0.264 120.811 120.500 0.079 0.000 2.509 126 R HA 0.212 4.552 4.340 -0.000 0.000 0.297 126 R C 0.447 176.786 176.300 0.065 0.000 0.951 126 R CA -0.279 55.855 56.100 0.056 0.000 1.103 126 R CB 0.807 31.136 30.300 0.049 0.000 1.283 126 R HN 0.369 nan 8.270 nan 0.000 0.534 127 R N 0.877 121.436 120.500 0.097 0.000 2.686 127 R HA 0.515 4.855 4.340 -0.000 0.000 0.283 127 R C -1.953 174.434 176.300 0.145 0.000 0.978 127 R CA -0.729 55.436 56.100 0.108 0.000 0.897 127 R CB 2.779 33.151 30.300 0.121 0.000 1.192 127 R HN 0.009 nan 8.270 nan 0.000 0.457 128 V N 6.731 126.719 119.914 0.125 0.000 2.623 128 V HA 0.553 4.673 4.120 -0.000 0.000 0.304 128 V C -0.686 175.489 176.094 0.136 0.000 1.054 128 V CA -0.603 61.787 62.300 0.149 0.000 0.882 128 V CB 1.728 33.602 31.823 0.084 0.000 1.002 128 V HN 0.743 nan 8.190 nan 0.000 0.424 129 I N 4.312 124.993 120.570 0.184 0.000 2.957 129 I HA 1.082 5.252 4.170 -0.000 0.000 0.310 129 I C -0.351 175.868 176.117 0.170 0.000 1.063 129 I CA -0.677 60.763 61.300 0.234 0.000 1.033 129 I CB 2.157 40.395 38.000 0.396 0.000 1.230 129 I HN 0.850 nan 8.210 nan 0.000 0.447 130 A N 2.460 125.407 122.820 0.212 0.000 2.540 130 A HA 0.667 4.987 4.320 -0.000 0.000 0.291 130 A C -1.633 176.108 177.584 0.261 0.000 1.083 130 A CA -0.549 51.534 52.037 0.077 0.000 0.650 130 A CB 1.644 20.624 19.000 -0.034 0.000 1.292 130 A HN 0.910 nan 8.150 nan 0.000 0.435 131 E N 0.365 120.696 120.200 0.219 0.000 2.343 131 E HA 0.757 5.107 4.350 -0.000 0.000 0.270 131 E C -1.395 175.326 176.600 0.201 0.000 0.895 131 E CA -0.487 56.055 56.400 0.237 0.000 0.767 131 E CB 2.163 31.992 29.700 0.215 0.000 1.248 131 E HN 0.799 nan 8.360 nan 0.000 0.440 132 T N 0.729 115.376 114.554 0.155 0.000 2.923 132 T HA 0.591 4.941 4.350 -0.000 0.000 0.311 132 T C 0.101 174.850 174.700 0.082 0.000 1.183 132 T CA 0.118 62.293 62.100 0.125 0.000 1.020 132 T CB 1.361 70.303 68.868 0.123 0.000 1.165 132 T HN 0.543 nan 8.240 nan 0.000 0.482 133 G N 1.462 110.298 108.800 0.059 0.000 2.618 133 G HA2 0.412 4.371 3.960 -0.000 0.000 0.222 133 G HA3 0.412 4.371 3.960 -0.000 0.000 0.222 133 G C 1.616 176.540 174.900 0.039 0.000 1.520 133 G CA 0.595 45.721 45.100 0.043 0.000 0.930 133 G HN 0.963 nan 8.290 nan 0.000 0.547 134 A N -0.748 122.092 122.820 0.034 0.000 2.121 134 A HA 0.399 4.719 4.320 -0.000 0.000 0.218 134 A C 2.013 179.617 177.584 0.033 0.000 1.154 134 A CA 1.845 53.900 52.037 0.030 0.000 0.679 134 A CB -0.538 18.478 19.000 0.026 0.000 0.795 134 A HN 1.948 nan 8.150 nan 0.000 0.458 135 G N -2.260 106.565 108.800 0.042 0.000 2.201 135 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.212 135 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.212 135 G C 1.036 175.953 174.900 0.028 0.000 0.994 135 G CA 0.542 45.663 45.100 0.035 0.000 0.644 135 G HN 0.281 nan 8.290 nan 0.000 0.508 136 Q N -0.257 119.566 119.800 0.038 0.000 2.084 136 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 136 Q C 2.011 178.033 176.000 0.037 0.000 0.978 136 Q CA 2.231 58.051 55.803 0.028 0.000 0.844 136 Q CB -0.188 28.571 28.738 0.035 0.000 0.898 136 Q HN 0.792 nan 8.270 nan 0.000 0.426 137 H N -0.695 118.354 119.070 -0.034 0.000 2.395 137 H HA -0.019 4.536 4.556 -0.000 0.000 0.299 137 H C 1.832 177.136 175.328 -0.040 0.000 1.070 137 H CA 1.770 57.791 56.048 -0.045 0.000 1.356 137 H CB -0.363 29.371 29.762 -0.047 0.000 1.401 137 H HN 0.304 nan 8.280 nan 0.000 0.524 138 G N -0.232 108.540 108.800 -0.046 0.000 2.440 138 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 138 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 138 G C 1.775 176.602 174.900 -0.122 0.000 1.154 138 G CA 1.196 46.240 45.100 -0.093 0.000 0.767 138 G HN 0.375 nan 8.290 nan 0.000 0.552 139 V N 0.549 120.409 119.914 -0.090 0.000 2.379 139 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 139 V C 2.980 179.006 176.094 -0.113 0.000 1.044 139 V CA 2.060 64.307 62.300 -0.089 0.000 1.036 139 V CB -0.291 31.491 31.823 -0.070 0.000 0.664 139 V HN 0.466 nan 8.190 nan 0.000 0.453 140 S N -0.164 115.456 115.700 -0.133 0.000 2.359 140 S HA -0.187 4.283 4.470 -0.000 0.000 0.224 140 S C 2.007 176.515 174.600 -0.154 0.000 1.035 140 S CA 2.019 60.141 58.200 -0.130 0.000 1.018 140 S CB -0.216 62.912 63.200 -0.121 0.000 0.876 140 S HN 0.324 nan 8.310 nan 0.000 0.448 141 V N 2.148 121.905 119.914 -0.263 0.000 2.295 141 V HA -0.145 3.974 4.120 -0.000 0.000 0.246 141 V C 2.859 178.872 176.094 -0.135 0.000 1.049 141 V CA 1.830 63.990 62.300 -0.234 0.000 1.024 141 V CB -1.415 30.208 31.823 -0.333 0.000 0.648 141 V HN 0.615 nan 8.190 nan 0.000 0.447 142 A N -0.384 122.362 122.820 -0.123 0.000 1.940 142 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 142 A C 2.385 179.926 177.584 -0.072 0.000 1.176 142 A CA 2.623 54.607 52.037 -0.088 0.000 0.631 142 A CB -0.993 17.957 19.000 -0.084 0.000 0.814 142 A HN 0.522 nan 8.150 nan 0.000 0.446 143 T N -0.012 114.507 114.554 -0.058 0.000 2.674 143 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 143 T C 1.950 176.620 174.700 -0.049 0.000 1.039 143 T CA 2.266 64.366 62.100 -0.000 0.000 1.150 143 T CB -0.780 68.121 68.868 0.055 0.000 0.864 143 T HN 0.702 nan 8.240 nan 0.000 0.427 144 V N 0.288 120.150 119.914 -0.087 0.000 3.141 144 V HA 0.211 4.331 4.120 -0.000 0.000 0.265 144 V C 2.417 178.398 176.094 -0.188 0.000 1.126 144 V CA 1.091 63.254 62.300 -0.227 0.000 1.141 144 V CB -1.391 30.361 31.823 -0.118 0.000 0.743 144 V HN 0.424 nan 8.190 nan 0.000 0.492 145 A N 0.707 123.466 122.820 -0.102 0.000 1.898 145 A HA 0.318 4.637 4.320 -0.000 0.000 0.214 145 A C 2.440 179.975 177.584 -0.082 0.000 1.183 145 A CA 1.611 53.617 52.037 -0.053 0.000 0.622 145 A CB -0.800 18.173 19.000 -0.044 0.000 0.824 145 A HN 0.851 nan 8.150 nan 0.000 0.444 146 A N -0.448 122.303 122.820 -0.114 0.000 1.929 146 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 146 A C 2.076 179.539 177.584 -0.202 0.000 1.176 146 A CA 1.532 53.500 52.037 -0.115 0.000 0.628 146 A CB -0.562 18.388 19.000 -0.083 0.000 0.816 146 A HN 0.626 nan 8.150 nan 0.000 0.444 147 L N -1.771 119.224 121.223 -0.379 0.000 2.083 147 L HA -0.030 4.309 4.340 -0.000 0.000 0.209 147 L C 1.395 177.852 176.870 -0.689 0.000 1.083 147 L CA 1.908 56.322 54.840 -0.709 0.000 0.752 147 L CB -0.457 40.807 42.059 -1.324 0.000 0.899 147 L HN 0.324 nan 8.230 nan 0.000 0.433 148 F N -0.067 119.701 119.950 -0.304 0.000 2.664 148 F HA 0.436 4.963 4.527 -0.000 0.000 0.303 148 F C 1.795 177.506 175.800 -0.149 0.000 1.092 148 F CA -0.055 57.795 58.000 -0.251 0.000 1.305 148 F CB -0.472 38.368 39.000 -0.266 0.000 1.054 148 F HN 0.132 nan 8.300 nan 0.000 0.565 149 G N 1.214 110.021 108.800 0.011 0.000 2.160 149 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.251 149 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.251 149 G C 0.104 175.015 174.900 0.018 0.000 1.008 149 G CA -0.011 45.092 45.100 0.006 0.000 0.724 149 G HN 0.301 nan 8.290 nan 0.000 0.514 150 L N -0.209 121.030 121.223 0.026 0.000 2.379 150 L HA 0.516 4.856 4.340 -0.000 0.000 0.269 150 L C 0.898 177.776 176.870 0.013 0.000 1.084 150 L CA -0.821 54.033 54.840 0.024 0.000 0.802 150 L CB 1.238 43.314 42.059 0.029 0.000 1.175 150 L HN 0.291 nan 8.230 nan 0.000 0.448 151 E N 1.105 121.318 120.200 0.023 0.000 2.344 151 E HA 0.136 4.486 4.350 -0.000 0.000 0.270 151 E C -1.334 175.280 176.600 0.024 0.000 1.021 151 E CA -0.381 56.032 56.400 0.021 0.000 0.887 151 E CB 1.128 30.849 29.700 0.034 0.000 0.997 151 E HN 0.532 nan 8.360 nan 0.000 0.429 152 C N 5.029 124.332 119.300 0.005 0.000 2.441 152 C HA 0.634 5.093 4.460 -0.000 0.000 0.318 152 C C -1.133 173.850 174.990 -0.012 0.000 1.222 152 C CA -0.411 58.607 59.018 0.001 0.000 1.474 152 C CB 0.354 28.080 27.740 -0.024 0.000 2.125 152 C HN 0.540 nan 8.230 nan 0.000 0.479 153 V N 6.739 126.655 119.914 0.003 0.000 2.525 153 V HA 0.502 4.622 4.120 -0.000 0.000 0.299 153 V C -0.408 175.652 176.094 -0.056 0.000 1.034 153 V CA -0.435 61.831 62.300 -0.056 0.000 0.863 153 V CB 1.661 33.453 31.823 -0.052 0.000 0.999 153 V HN 0.720 nan 8.190 nan 0.000 0.423 154 V N 5.471 125.312 119.914 -0.121 0.000 2.459 154 V HA 0.516 4.636 4.120 -0.000 0.000 0.295 154 V C -0.619 175.390 176.094 -0.142 0.000 1.029 154 V CA -0.649 61.623 62.300 -0.046 0.000 0.874 154 V CB 1.550 33.356 31.823 -0.028 0.000 0.985 154 V HN 0.721 nan 8.190 nan 0.000 0.438 158 E N 0.060 120.285 120.200 0.042 0.000 2.164 158 E HA -0.278 4.072 4.350 -0.000 0.000 0.206 158 E C 1.939 178.555 176.600 0.027 0.000 1.032 158 E CA 1.731 58.150 56.400 0.032 0.000 0.832 158 E CB 0.230 29.948 29.700 0.029 0.000 0.742 158 E HN 0.587 nan 8.360 nan 0.000 0.460 159 E N 1.193 121.408 120.200 0.026 0.000 2.001 159 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 159 E C 1.771 178.384 176.600 0.022 0.000 0.994 159 E CA 1.381 57.793 56.400 0.021 0.000 0.815 159 E CB -0.154 29.558 29.700 0.019 0.000 0.770 159 E HN 0.136 nan 8.360 nan 0.000 0.453 160 D N 0.439 120.855 120.400 0.026 0.000 2.149 160 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 160 D C 2.075 178.391 176.300 0.027 0.000 1.001 160 D CA 1.170 55.187 54.000 0.027 0.000 0.849 160 D CB -0.314 40.506 40.800 0.033 0.000 0.939 160 D HN 0.093 nan 8.370 nan 0.000 0.449 161 V N 0.631 120.563 119.914 0.029 0.000 2.490 161 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 161 V C 2.439 178.548 176.094 0.024 0.000 1.061 161 V CA 1.510 63.828 62.300 0.028 0.000 1.064 161 V CB -0.301 31.538 31.823 0.028 0.000 0.670 161 V HN 0.166 nan 8.190 nan 0.000 0.461 162 R N 0.036 120.548 120.500 0.020 0.000 2.127 162 R HA -0.022 4.318 4.340 -0.000 0.000 0.217 162 R C 2.446 178.753 176.300 0.012 0.000 1.074 162 R CA 1.026 57.135 56.100 0.015 0.000 0.991 162 R CB -0.153 30.154 30.300 0.012 0.000 0.895 162 R HN 0.618 nan 8.270 nan 0.000 0.450 163 R N 0.074 120.582 120.500 0.014 0.000 2.275 163 R HA 0.037 4.376 4.340 -0.000 0.000 0.199 163 R C 0.243 176.552 176.300 0.015 0.000 0.989 163 R CA 0.666 56.773 56.100 0.012 0.000 1.016 163 R CB 0.331 30.638 30.300 0.011 0.000 0.918 163 R HN -0.007 nan 8.270 nan 0.000 0.473 164 Q N 0.649 120.461 119.800 0.021 0.000 2.769 164 Q HA 0.322 4.662 4.340 -0.000 0.000 0.375 164 Q C 0.252 176.272 176.000 0.034 0.000 0.996 164 Q CA 0.118 55.937 55.803 0.026 0.000 1.042 164 Q CB 1.667 30.422 28.738 0.028 0.000 1.329 164 Q HN 0.348 nan 8.270 nan 0.000 0.427 165 A N 0.736 123.573 122.820 0.028 0.000 1.933 165 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 165 A C 1.891 179.514 177.584 0.065 0.000 1.175 165 A CA 1.196 53.252 52.037 0.032 0.000 0.628 165 A CB -0.159 18.841 19.000 0.001 0.000 0.814 165 A HN 0.471 nan 8.150 nan 0.000 0.444 166 L N 0.345 121.603 121.223 0.059 0.000 1.948 166 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 166 L C 2.007 178.945 176.870 0.114 0.000 1.074 166 L CA 2.423 57.318 54.840 0.092 0.000 0.753 166 L CB -0.742 41.352 42.059 0.058 0.000 0.888 166 L HN 0.324 nan 8.230 nan 0.000 0.432 167 N N -0.344 118.395 118.700 0.066 0.000 2.091 167 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 167 N C 1.871 177.410 175.510 0.049 0.000 1.021 167 N CA 1.787 54.863 53.050 0.043 0.000 0.862 167 N CB -0.778 37.725 38.487 0.026 0.000 1.018 167 N HN 0.301 nan 8.380 nan 0.000 0.429 168 V N 0.718 120.674 119.914 0.070 0.000 2.332 168 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 168 V C 2.013 178.173 176.094 0.111 0.000 1.055 168 V CA 1.387 63.730 62.300 0.071 0.000 1.038 168 V CB -0.630 31.239 31.823 0.077 0.000 0.651 168 V HN 0.165 nan 8.190 nan 0.000 0.450 169 F N 1.008 120.950 119.950 -0.012 0.000 2.146 169 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 169 F C 1.792 177.584 175.800 -0.014 0.000 1.096 169 F CA 0.726 58.719 58.000 -0.012 0.000 1.275 169 F CB -0.288 38.706 39.000 -0.009 0.000 1.008 169 F HN 0.019 nan 8.300 nan 0.000 0.480 173 L N 1.773 122.762 121.223 -0.391 0.000 2.141 173 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 173 L C 1.557 178.315 176.870 -0.187 0.000 1.094 173 L CA 0.757 55.386 54.840 -0.352 0.000 0.763 173 L CB -0.123 41.679 42.059 -0.428 0.000 0.908 173 L HN 0.146 nan 8.230 nan 0.000 0.437 174 L N 0.078 121.210 121.223 -0.151 0.000 2.622 174 L HA 0.025 4.365 4.340 -0.000 0.000 0.233 174 L C 1.695 178.515 176.870 -0.084 0.000 1.156 174 L CA 1.443 56.226 54.840 -0.095 0.000 0.866 174 L CB -1.680 40.331 42.059 -0.080 0.000 0.980 174 L HN 0.531 nan 8.230 nan 0.000 0.448 175 G N -0.973 107.770 108.800 -0.094 0.000 2.176 175 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 175 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 175 G C 0.602 175.466 174.900 -0.060 0.000 0.979 175 G CA 0.334 45.391 45.100 -0.071 0.000 0.641 175 G HN 0.660 nan 8.290 nan 0.000 0.530 176 A N -0.178 122.601 122.820 -0.067 0.000 2.271 176 A HA 0.709 5.028 4.320 -0.000 0.000 0.288 176 A C 0.377 177.926 177.584 -0.059 0.000 1.094 176 A CA 0.414 52.416 52.037 -0.058 0.000 0.828 176 A CB 0.675 19.638 19.000 -0.062 0.000 1.091 176 A HN 0.679 nan 8.150 nan 0.000 0.493 177 E N 1.016 121.180 120.200 -0.060 0.000 2.156 177 E HA 0.484 4.834 4.350 -0.000 0.000 0.279 177 E C -1.571 174.972 176.600 -0.094 0.000 0.965 177 E CA -0.474 55.886 56.400 -0.067 0.000 0.789 177 E CB 1.171 30.833 29.700 -0.063 0.000 1.098 177 E HN 0.316 nan 8.360 nan 0.000 0.397 178 V N 6.305 126.174 119.914 -0.076 0.000 2.333 178 V HA 0.320 4.440 4.120 -0.000 0.000 0.274 178 V C -0.018 176.021 176.094 -0.090 0.000 1.028 178 V CA -0.519 61.732 62.300 -0.082 0.000 0.851 178 V CB 0.679 32.480 31.823 -0.036 0.000 1.000 178 V HN 0.637 nan 8.190 nan 0.000 0.456 179 R N 4.597 125.002 120.500 -0.158 0.000 2.437 179 R HA 0.735 5.075 4.340 -0.000 0.000 0.310 179 R C -2.978 173.285 176.300 -0.062 0.000 0.955 179 R CA -1.732 54.292 56.100 -0.126 0.000 0.851 179 R CB 1.448 31.631 30.300 -0.195 0.000 1.161 179 R HN 0.345 nan 8.270 nan 0.000 0.446 188 L N 3.254 124.501 121.223 0.040 0.000 2.275 188 L HA 0.181 4.521 4.340 -0.000 0.000 0.215 188 L C 2.449 179.349 176.870 0.051 0.000 1.119 188 L CA 1.188 56.060 54.840 0.053 0.000 0.790 188 L CB -0.503 41.584 42.059 0.047 0.000 0.919 188 L HN 0.588 nan 8.230 nan 0.000 0.443 189 K N 1.125 121.546 120.400 0.035 0.000 2.032 189 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 189 K C 1.308 177.927 176.600 0.032 0.000 1.048 189 K CA 2.391 58.694 56.287 0.027 0.000 0.927 189 K CB -0.187 32.323 32.500 0.016 0.000 0.712 189 K HN 0.396 nan 8.250 nan 0.000 0.441 190 D N -0.280 120.143 120.400 0.038 0.000 2.350 190 D HA -0.050 4.590 4.640 -0.000 0.000 0.216 190 D C 1.305 177.642 176.300 0.062 0.000 0.968 190 D CA 0.882 54.907 54.000 0.042 0.000 0.894 190 D CB 0.239 41.065 40.800 0.044 0.000 0.909 190 D HN 0.376 nan 8.370 nan 0.000 0.520 191 A N -0.559 122.311 122.820 0.083 0.000 2.044 191 A HA 0.029 4.349 4.320 -0.000 0.000 0.213 191 A C 2.159 179.793 177.584 0.082 0.000 1.169 191 A CA 0.728 52.848 52.037 0.138 0.000 0.724 191 A CB -0.253 18.854 19.000 0.179 0.000 0.840 191 A HN 0.116 nan 8.150 nan 0.000 0.463 192 T N 2.029 116.618 114.554 0.058 0.000 2.698 192 T HA -0.134 4.216 4.350 -0.000 0.000 0.260 192 T C 1.626 176.310 174.700 -0.026 0.000 1.044 192 T CA 1.728 63.856 62.100 0.047 0.000 1.149 192 T CB -0.566 68.337 68.868 0.059 0.000 0.864 192 T HN 0.793 nan 8.240 nan 0.000 0.419 193 N N 1.502 120.186 118.700 -0.026 0.000 2.609 193 N HA -0.034 4.706 4.740 -0.000 0.000 0.190 193 N C 1.316 176.770 175.510 -0.092 0.000 1.157 193 N CA 0.579 53.599 53.050 -0.050 0.000 0.918 193 N CB -0.188 38.284 38.487 -0.024 0.000 0.978 193 N HN 0.371 nan 8.380 nan 0.000 0.448 194 E N 0.308 120.428 120.200 -0.133 0.000 2.216 194 E HA 0.241 4.591 4.350 -0.000 0.000 0.192 194 E C 1.789 178.108 176.600 -0.468 0.000 0.973 194 E CA 0.702 56.987 56.400 -0.191 0.000 0.851 194 E CB -0.234 29.416 29.700 -0.084 0.000 0.804 194 E HN 0.357 nan 8.360 nan 0.000 0.477 195 A N 0.952 123.399 122.820 -0.623 0.000 1.898 195 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 195 A C 2.014 179.409 177.584 -0.316 0.000 1.183 195 A CA 0.986 52.572 52.037 -0.751 0.000 0.622 195 A CB -0.458 18.313 19.000 -0.381 0.000 0.824 195 A HN 0.295 nan 8.150 nan 0.000 0.444 196 I N 0.019 120.437 120.570 -0.254 0.000 2.264 196 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 196 I C 2.502 178.566 176.117 -0.090 0.000 1.111 196 I CA 1.740 62.933 61.300 -0.179 0.000 1.382 196 I CB -1.180 36.744 38.000 -0.127 0.000 1.060 196 I HN 0.341 nan 8.210 nan 0.000 0.418 197 R N 1.727 122.161 120.500 -0.110 0.000 2.070 197 R HA -0.219 4.121 4.340 -0.000 0.000 0.232 197 R C 2.120 178.397 176.300 -0.038 0.000 1.138 197 R CA 2.184 58.239 56.100 -0.076 0.000 0.936 197 R CB -0.994 29.265 30.300 -0.069 0.000 0.839 197 R HN 0.313 nan 8.270 nan 0.000 0.429 198 D N -0.661 119.721 120.400 -0.030 0.000 2.116 198 D HA -0.228 4.412 4.640 -0.000 0.000 0.193 198 D C 1.625 178.017 176.300 0.153 0.000 0.998 198 D CA 1.488 55.529 54.000 0.068 0.000 0.836 198 D CB -0.516 40.349 40.800 0.108 0.000 0.951 198 D HN 0.396 nan 8.370 nan 0.000 0.449 199 W N 1.421 122.667 121.300 -0.090 0.000 2.333 199 W HA -0.164 4.496 4.660 -0.000 0.000 0.316 199 W C 2.167 178.649 176.519 -0.061 0.000 1.215 199 W CA 1.113 58.415 57.345 -0.071 0.000 1.278 199 W CB -0.796 28.535 29.460 -0.214 0.000 1.154 199 W HN -0.032 nan 8.180 nan 0.000 0.486 200 I N 0.540 120.980 120.570 -0.216 0.000 2.163 200 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 200 I C 2.184 178.197 176.117 -0.174 0.000 1.085 200 I CA 2.253 63.339 61.300 -0.357 0.000 1.347 200 I CB -1.893 35.944 38.000 -0.271 0.000 1.044 200 I HN -0.010 nan 8.210 nan 0.000 0.408 201 T N 1.678 116.191 114.554 -0.069 0.000 2.684 201 T HA -0.122 4.227 4.350 -0.000 0.000 0.267 201 T C 1.345 176.048 174.700 0.006 0.000 1.036 201 T CA 1.280 63.366 62.100 -0.025 0.000 1.148 201 T CB -0.221 68.652 68.868 0.008 0.000 0.863 201 T HN 0.314 nan 8.240 nan 0.000 0.436 202 N N 1.110 119.843 118.700 0.056 0.000 2.321 202 N HA 0.168 4.908 4.740 -0.000 0.000 0.242 202 N C 1.407 176.995 175.510 0.129 0.000 1.141 202 N CA -0.026 53.081 53.050 0.094 0.000 0.864 202 N CB 0.821 39.388 38.487 0.133 0.000 1.100 202 N HN 0.134 nan 8.380 nan 0.000 0.510 203 V N 1.195 121.144 119.914 0.059 0.000 2.380 203 V HA -0.302 3.818 4.120 -0.000 0.000 0.251 203 V C 2.563 178.731 176.094 0.122 0.000 1.063 203 V CA 1.973 64.320 62.300 0.079 0.000 1.055 203 V CB -0.207 31.521 31.823 -0.157 0.000 0.657 203 V HN 0.168 nan 8.190 nan 0.000 0.455 204 R N 1.061 121.603 120.500 0.069 0.000 2.139 204 R HA -0.132 4.208 4.340 -0.000 0.000 0.243 204 R C 2.007 178.369 176.300 0.103 0.000 1.145 204 R CA 2.478 58.620 56.100 0.071 0.000 0.976 204 R CB -0.774 29.552 30.300 0.044 0.000 0.866 204 R HN 0.753 nan 8.270 nan 0.000 0.449 205 T N -5.203 109.426 114.554 0.125 0.000 3.043 205 T HA 0.288 4.638 4.350 -0.000 0.000 0.272 205 T C -0.030 174.779 174.700 0.181 0.000 0.990 205 T CA -0.334 61.845 62.100 0.133 0.000 0.897 205 T CB 0.444 69.374 68.868 0.103 0.000 1.111 205 T HN -0.021 nan 8.240 nan 0.000 0.529 206 T N 1.941 116.644 114.554 0.249 0.000 2.876 206 T HA 0.660 5.010 4.350 -0.000 0.000 0.289 206 T C -1.891 173.042 174.700 0.388 0.000 1.014 206 T CA -0.535 61.749 62.100 0.307 0.000 0.986 206 T CB 1.861 70.925 68.868 0.327 0.000 1.021 206 T HN 0.241 nan 8.240 nan 0.000 0.458 207 F N 2.672 122.703 119.950 0.135 0.000 2.508 207 F HA 0.624 5.151 4.527 -0.000 0.000 0.325 207 F C -1.363 174.364 175.800 -0.122 0.000 1.090 207 F CA -1.515 56.512 58.000 0.045 0.000 0.945 207 F CB 1.254 40.288 39.000 0.057 0.000 1.156 207 F HN 0.573 nan 8.300 nan 0.000 0.463 208 Y N 7.229 127.117 120.300 -0.687 0.000 2.369 208 Y HA 0.527 5.077 4.550 -0.000 0.000 0.337 208 Y C -0.716 175.125 175.900 -0.099 0.000 0.961 208 Y CA -1.191 56.539 58.100 -0.616 0.000 1.186 208 Y CB 0.471 37.988 38.460 -1.571 0.000 1.139 208 Y HN 0.447 nan 8.280 nan 0.000 0.494 209 I N 7.827 128.339 120.570 -0.097 0.000 2.379 209 I HA 0.124 4.294 4.170 -0.000 0.000 0.290 209 I C -0.841 175.146 176.117 -0.218 0.000 1.063 209 I CA -0.412 60.917 61.300 0.049 0.000 1.351 209 I CB 0.718 38.755 38.000 0.061 0.000 1.410 209 I HN 0.460 nan 8.210 nan 0.000 0.505 210 L N 6.191 127.337 121.223 -0.129 0.000 2.333 210 L HA 0.601 4.941 4.340 -0.000 0.000 0.280 210 L C 0.616 177.443 176.870 -0.071 0.000 1.004 210 L CA 0.146 54.795 54.840 -0.317 0.000 0.820 210 L CB 1.770 43.405 42.059 -0.706 0.000 1.247 210 L HN 0.555 nan 8.230 nan 0.000 0.416 211 G N 2.038 110.712 108.800 -0.211 0.000 3.523 211 G HA2 0.186 4.145 3.960 -0.000 0.000 0.270 211 G HA3 0.186 4.145 3.960 -0.000 0.000 0.270 211 G C 0.045 174.897 174.900 -0.079 0.000 1.134 211 G CA 0.092 45.148 45.100 -0.075 0.000 0.825 211 G HN 0.540 nan 8.290 nan 0.000 0.534 212 S N -0.359 115.286 115.700 -0.092 0.000 2.537 212 S HA 0.389 4.859 4.470 -0.000 0.000 0.301 212 S C 0.955 175.567 174.600 0.019 0.000 1.092 212 S CA -0.439 57.735 58.200 -0.043 0.000 1.048 212 S CB 1.774 64.928 63.200 -0.076 0.000 1.053 212 S HN 0.494 nan 8.310 nan 0.000 0.501 213 V N 2.870 122.803 119.914 0.032 0.000 3.444 213 V HA 0.295 4.415 4.120 -0.000 0.000 0.308 213 V C 0.762 176.862 176.094 0.010 0.000 1.371 213 V CA 0.576 62.893 62.300 0.029 0.000 1.141 213 V CB -0.050 31.775 31.823 0.003 0.000 1.037 213 V HN 0.760 nan 8.190 nan 0.000 0.433 214 V N -2.600 117.334 119.914 0.032 0.000 3.528 214 V HA 0.669 4.789 4.120 -0.000 0.000 0.294 214 V C 1.194 177.314 176.094 0.045 0.000 1.404 214 V CA 0.485 62.818 62.300 0.055 0.000 1.065 214 V CB -0.588 31.311 31.823 0.127 0.000 0.904 214 V HN 0.442 nan 8.190 nan 0.000 0.435 215 G N 2.004 110.832 108.800 0.047 0.000 2.553 215 G HA2 0.494 4.454 3.960 -0.000 0.000 0.278 215 G HA3 0.494 4.454 3.960 -0.000 0.000 0.278 215 G C -2.519 172.437 174.900 0.092 0.000 1.349 215 G CA -1.010 44.121 45.100 0.051 0.000 1.037 215 G HN 0.426 nan 8.290 nan 0.000 0.508 216 P HA 0.139 nan 4.420 nan 0.000 0.281 216 P C -0.612 176.857 177.300 0.281 0.000 1.249 216 P CA -0.403 62.804 63.100 0.179 0.000 0.810 216 P CB 1.000 32.797 31.700 0.162 0.000 1.008 217 H N 4.170 123.317 119.070 0.128 0.000 3.038 217 H HA 0.002 4.558 4.556 -0.000 0.000 0.338 217 H C -1.412 173.957 175.328 0.070 0.000 1.041 217 H CA -0.473 55.630 56.048 0.092 0.000 1.394 217 H CB 0.088 29.875 29.762 0.042 0.000 1.357 217 H HN 0.263 nan 8.280 nan 0.000 0.600 218 P HA 0.009 nan 4.420 nan 0.000 0.259 218 P C 0.175 177.317 177.300 -0.264 0.000 1.530 218 P CA 0.172 62.864 63.100 -0.680 0.000 1.022 218 P CB -0.054 31.126 31.700 -0.866 0.000 1.514 219 Y N 0.923 121.195 120.300 -0.047 0.000 2.200 219 Y HA 0.007 4.557 4.550 -0.000 0.000 0.290 219 Y C -0.851 175.063 175.900 0.024 0.000 1.137 219 Y CA 0.961 59.056 58.100 -0.009 0.000 1.163 219 Y CB -2.223 36.258 38.460 0.035 0.000 0.988 219 Y HN 0.173 nan 8.280 nan 0.000 0.518 224 R N 1.313 121.892 120.500 0.132 0.000 2.091 224 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 224 R C 1.601 178.047 176.300 0.243 0.000 1.136 224 R CA 2.522 58.731 56.100 0.182 0.000 0.959 224 R CB -0.475 29.937 30.300 0.185 0.000 0.856 224 R HN 0.600 nan 8.270 nan 0.000 0.437 225 D N -0.180 120.314 120.400 0.156 0.000 2.097 225 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 225 D C 1.825 178.232 176.300 0.178 0.000 0.989 225 D CA 1.162 55.250 54.000 0.147 0.000 0.827 225 D CB -0.398 40.390 40.800 -0.019 0.000 0.966 225 D HN 0.186 nan 8.370 nan 0.000 0.456 226 F N 1.012 121.108 119.950 0.244 0.000 2.234 226 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 226 F C 2.441 178.365 175.800 0.207 0.000 1.087 226 F CA 0.638 58.770 58.000 0.220 0.000 1.340 226 F CB -0.482 38.637 39.000 0.197 0.000 1.031 226 F HN -0.072 nan 8.300 nan 0.000 0.500 227 Q N -0.464 119.565 119.800 0.380 0.000 2.331 227 Q HA -0.020 4.320 4.340 -0.000 0.000 0.203 227 Q C 2.265 178.439 176.000 0.290 0.000 0.944 227 Q CA 0.636 56.629 55.803 0.316 0.000 0.892 227 Q CB -0.506 28.405 28.738 0.288 0.000 0.983 227 Q HN 0.281 nan 8.270 nan 0.000 0.482 228 S N 0.868 116.755 115.700 0.311 0.000 2.423 228 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 228 S C 1.960 176.715 174.600 0.258 0.000 1.028 228 S CA 0.997 59.391 58.200 0.323 0.000 1.000 228 S CB -0.364 63.080 63.200 0.406 0.000 0.797 228 S HN 0.267 nan 8.310 nan 0.000 0.487 229 V N 2.041 122.099 119.914 0.239 0.000 2.453 229 V HA -0.222 3.898 4.120 -0.000 0.000 0.252 229 V C 1.701 177.901 176.094 0.178 0.000 1.068 229 V CA 1.694 64.108 62.300 0.191 0.000 1.070 229 V CB -0.469 31.469 31.823 0.190 0.000 0.664 229 V HN 0.514 nan 8.190 nan 0.000 0.461 230 I N 0.254 120.945 120.570 0.201 0.000 2.113 230 I HA -0.134 4.036 4.170 -0.000 0.000 0.238 230 I C 2.673 178.921 176.117 0.218 0.000 1.070 230 I CA 1.745 63.163 61.300 0.196 0.000 1.332 230 I CB -1.278 36.840 38.000 0.197 0.000 1.044 230 I HN 0.411 nan 8.210 nan 0.000 0.402 231 G N 0.321 109.274 108.800 0.255 0.000 2.440 231 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 231 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 231 G C 1.580 176.564 174.900 0.140 0.000 1.154 231 G CA 0.533 45.822 45.100 0.314 0.000 0.767 231 G HN 0.269 nan 8.290 nan 0.000 0.552 232 E N 0.594 120.844 120.200 0.084 0.000 2.077 232 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 232 E C 2.391 179.023 176.600 0.053 0.000 0.989 232 E CA 0.866 57.277 56.400 0.018 0.000 0.800 232 E CB -0.255 29.477 29.700 0.055 0.000 0.746 232 E HN 0.606 nan 8.360 nan 0.000 0.452 233 E N 0.065 120.324 120.200 0.098 0.000 2.051 233 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 233 E C 2.167 178.833 176.600 0.110 0.000 0.991 233 E CA 1.094 57.550 56.400 0.094 0.000 0.799 233 E CB 0.098 29.861 29.700 0.105 0.000 0.748 233 E HN 0.016 nan 8.360 nan 0.000 0.449 234 V N 1.550 121.570 119.914 0.176 0.000 2.490 234 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 234 V C 2.329 178.579 176.094 0.260 0.000 1.061 234 V CA 1.725 64.160 62.300 0.224 0.000 1.064 234 V CB -0.419 31.599 31.823 0.324 0.000 0.670 234 V HN 0.228 nan 8.190 nan 0.000 0.461 235 K N 0.981 121.534 120.400 0.254 0.000 2.057 235 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 235 K C 2.392 179.048 176.600 0.094 0.000 1.050 235 K CA 1.799 58.203 56.287 0.194 0.000 0.935 235 K CB -0.070 32.357 32.500 -0.121 0.000 0.715 235 K HN 0.610 nan 8.250 nan 0.000 0.439 236 R N -0.020 120.507 120.500 0.044 0.000 2.153 236 R HA -0.027 4.312 4.340 -0.000 0.000 0.218 236 R C 2.051 178.335 176.300 -0.027 0.000 1.072 236 R CA 0.972 57.078 56.100 0.010 0.000 0.990 236 R CB -0.289 30.015 30.300 0.007 0.000 0.889 236 R HN 0.213 nan 8.270 nan 0.000 0.452 237 Q N 0.927 120.710 119.800 -0.029 0.000 2.123 237 Q HA 0.004 4.343 4.340 -0.000 0.000 0.199 237 Q C 2.057 177.895 176.000 -0.270 0.000 0.966 237 Q CA 1.717 57.454 55.803 -0.110 0.000 0.845 237 Q CB 0.125 28.826 28.738 -0.061 0.000 0.907 237 Q HN 0.352 nan 8.270 nan 0.000 0.439 238 S N 1.051 116.641 115.700 -0.183 0.000 2.368 238 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 238 S C 1.948 176.421 174.600 -0.212 0.000 1.029 238 S CA 0.863 58.912 58.200 -0.251 0.000 0.988 238 S CB -0.190 63.114 63.200 0.174 0.000 0.838 238 S HN 0.258 nan 8.310 nan 0.000 0.462 239 L N 1.548 122.735 121.223 -0.060 0.000 2.046 239 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 239 L C 2.758 179.577 176.870 -0.084 0.000 1.077 239 L CA 1.567 56.392 54.840 -0.024 0.000 0.747 239 L CB -0.643 41.421 42.059 0.008 0.000 0.896 239 L HN 0.517 nan 8.230 nan 0.000 0.432 240 E N -0.253 119.865 120.200 -0.136 0.000 2.152 240 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 240 E C 2.057 178.540 176.600 -0.194 0.000 0.983 240 E CA 0.890 57.213 56.400 -0.129 0.000 0.818 240 E CB -0.195 29.441 29.700 -0.105 0.000 0.758 240 E HN 0.321 nan 8.360 nan 0.000 0.467 241 L N -0.586 120.397 121.223 -0.401 0.000 2.463 241 L HA 0.258 4.598 4.340 -0.000 0.000 0.219 241 L C 1.110 177.716 176.870 -0.439 0.000 1.088 241 L CA 1.075 55.604 54.840 -0.519 0.000 0.849 241 L CB 0.127 41.691 42.059 -0.825 0.000 1.012 241 L HN 0.140 nan 8.230 nan 0.000 0.468 242 F N -1.667 118.229 119.950 -0.090 0.000 2.778 242 F HA 0.433 4.960 4.527 -0.000 0.000 0.314 242 F C 1.803 177.580 175.800 -0.039 0.000 1.073 242 F CA 0.129 58.085 58.000 -0.074 0.000 1.218 242 F CB 0.126 39.060 39.000 -0.110 0.000 1.037 242 F HN -0.011 nan 8.300 nan 0.000 0.594 243 G N 2.128 110.983 108.800 0.092 0.000 2.162 243 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 243 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 243 G C 0.153 175.105 174.900 0.087 0.000 0.976 243 G CA 0.423 45.562 45.100 0.065 0.000 0.655 243 G HN 0.567 nan 8.290 nan 0.000 0.533 244 R N -1.419 119.165 120.500 0.140 0.000 2.716 244 R HA 0.704 5.044 4.340 -0.000 0.000 0.271 244 R C -0.557 175.848 176.300 0.175 0.000 1.028 244 R CA -1.268 54.906 56.100 0.123 0.000 0.883 244 R CB 0.716 31.064 30.300 0.081 0.000 1.250 244 R HN 0.164 nan 8.270 nan 0.000 0.465 245 L N 1.151 122.456 121.223 0.137 0.000 2.453 245 L HA 0.408 4.748 4.340 -0.000 0.000 0.261 245 L C -1.873 175.030 176.870 0.055 0.000 1.179 245 L CA -2.083 52.852 54.840 0.158 0.000 0.813 245 L CB 0.441 42.616 42.059 0.193 0.000 1.110 245 L HN 0.449 nan 8.230 nan 0.000 0.466 246 P HA -0.012 nan 4.420 nan 0.000 0.270 246 P C -0.229 176.983 177.300 -0.147 0.000 1.227 246 P CA -0.146 62.882 63.100 -0.120 0.000 0.788 246 P CB 0.564 32.196 31.700 -0.114 0.000 0.926 247 D N -0.333 119.976 120.400 -0.151 0.000 2.183 247 D HA 0.096 4.736 4.640 -0.000 0.000 0.205 247 D C 0.443 176.660 176.300 -0.138 0.000 0.962 247 D CA 1.119 55.042 54.000 -0.127 0.000 0.849 247 D CB 0.291 41.026 40.800 -0.109 0.000 0.978 247 D HN 0.384 nan 8.370 nan 0.000 0.488 248 A N 0.380 123.119 122.820 -0.134 0.000 2.520 248 A HA 0.626 4.946 4.320 -0.000 0.000 0.298 248 A C -1.444 176.065 177.584 -0.126 0.000 1.051 248 A CA -0.583 51.370 52.037 -0.140 0.000 0.690 248 A CB 1.307 20.258 19.000 -0.082 0.000 1.281 248 A HN 0.047 nan 8.150 nan 0.000 0.402 249 L N 2.357 123.478 121.223 -0.171 0.000 2.362 249 L HA 0.658 4.998 4.340 -0.000 0.000 0.275 249 L C -0.906 175.994 176.870 0.050 0.000 0.998 249 L CA -0.398 54.396 54.840 -0.077 0.000 0.820 249 L CB 1.743 43.691 42.059 -0.185 0.000 1.270 249 L HN 0.605 nan 8.230 nan 0.000 0.415 250 I N 2.493 123.153 120.570 0.149 0.000 2.545 250 I HA 0.829 4.999 4.170 -0.000 0.000 0.292 250 I C -0.328 175.901 176.117 0.188 0.000 1.040 250 I CA -0.516 60.895 61.300 0.185 0.000 1.068 250 I CB 2.160 40.264 38.000 0.174 0.000 1.251 250 I HN 0.691 nan 8.210 nan 0.000 0.424 251 A N 3.989 126.893 122.820 0.141 0.000 2.566 251 A HA 0.841 5.161 4.320 -0.000 0.000 0.297 251 A C -0.847 176.702 177.584 -0.057 0.000 1.059 251 A CA -0.632 51.409 52.037 0.006 0.000 0.691 251 A CB 1.478 20.400 19.000 -0.131 0.000 1.282 251 A HN 0.824 nan 8.150 nan 0.000 0.401 252 A N 0.842 123.636 122.820 -0.043 0.000 2.440 252 A HA 0.553 4.873 4.320 -0.000 0.000 0.251 252 A C -0.191 177.317 177.584 -0.126 0.000 1.089 252 A CA -0.052 51.950 52.037 -0.058 0.000 0.779 252 A CB 0.010 18.997 19.000 -0.021 0.000 1.022 252 A HN 1.422 nan 8.150 nan 0.000 0.492 253 V N 3.159 122.987 119.914 -0.143 0.000 2.334 253 V HA 0.714 4.834 4.120 -0.000 0.000 0.281 253 V C 0.817 176.825 176.094 -0.143 0.000 1.016 253 V CA 0.793 62.984 62.300 -0.182 0.000 0.832 253 V CB 0.495 32.145 31.823 -0.287 0.000 0.999 253 V HN 1.464 nan 8.190 nan 0.000 0.439 254 G N 3.688 112.429 108.800 -0.098 0.000 2.649 254 G HA2 0.389 4.349 3.960 -0.000 0.000 0.078 254 G HA3 0.389 4.349 3.960 -0.000 0.000 0.078 254 G C 0.341 175.221 174.900 -0.033 0.000 1.110 254 G CA 0.043 45.095 45.100 -0.080 0.000 1.269 254 G HN 0.962 nan 8.290 nan 0.000 0.581 255 G N 0.634 109.419 108.800 -0.026 0.000 2.272 255 G HA2 0.592 4.552 3.960 -0.000 0.000 0.274 255 G HA3 0.592 4.552 3.960 -0.000 0.000 0.274 255 G C 0.869 175.802 174.900 0.054 0.000 1.136 255 G CA 1.820 46.922 45.100 0.002 0.000 1.098 255 G HN 2.113 nan 8.290 nan 0.000 0.425 256 G N 1.250 110.081 108.800 0.052 0.000 2.396 256 G HA2 0.231 4.191 3.960 -0.000 0.000 0.254 256 G HA3 0.231 4.191 3.960 -0.000 0.000 0.254 256 G C 0.409 175.405 174.900 0.159 0.000 1.248 256 G CA 0.336 45.509 45.100 0.122 0.000 1.033 256 G HN 1.795 nan 8.290 nan 0.000 0.502 257 S N -0.508 115.376 115.700 0.307 0.000 2.843 257 S HA 0.301 4.770 4.470 -0.000 0.000 0.249 257 S C 1.054 175.794 174.600 0.233 0.000 1.047 257 S CA 0.835 59.181 58.200 0.245 0.000 1.042 257 S CB 0.622 63.952 63.200 0.218 0.000 0.936 257 S HN 1.160 nan 8.310 nan 0.000 0.531 258 N N 3.683 122.429 118.700 0.076 0.000 2.013 258 N HA -0.132 4.608 4.740 -0.000 0.000 0.195 258 N C 1.834 177.220 175.510 -0.206 0.000 1.051 258 N CA 2.227 55.026 53.050 -0.418 0.000 0.851 258 N CB -0.845 37.252 38.487 -0.650 0.000 1.044 258 N HN 0.449 nan 8.380 nan 0.000 0.422 259 A N -0.206 122.482 122.820 -0.219 0.000 1.972 259 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 259 A C 2.334 179.682 177.584 -0.392 0.000 1.169 259 A CA 1.309 53.058 52.037 -0.479 0.000 0.635 259 A CB -0.850 17.793 19.000 -0.595 0.000 0.810 259 A HN 0.472 nan 8.150 nan 0.000 0.446 260 I N -0.035 120.505 120.570 -0.049 0.000 2.315 260 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 260 I C 2.339 178.539 176.117 0.139 0.000 1.117 260 I CA 1.466 62.779 61.300 0.021 0.000 1.404 260 I CB -0.557 37.428 38.000 -0.024 0.000 1.071 260 I HN 0.229 nan 8.210 nan 0.000 0.419 261 G N 0.026 108.912 108.800 0.143 0.000 2.408 261 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 261 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 261 G C 1.612 176.664 174.900 0.254 0.000 1.150 261 G CA 0.937 46.165 45.100 0.213 0.000 0.776 261 G HN 0.409 nan 8.290 nan 0.000 0.542 262 L N -0.845 120.520 121.223 0.237 0.000 2.131 262 L HA 0.292 4.632 4.340 -0.000 0.000 0.206 262 L C 2.360 179.603 176.870 0.622 0.000 1.087 262 L CA 1.171 56.236 54.840 0.376 0.000 0.767 262 L CB -0.331 41.905 42.059 0.295 0.000 0.917 262 L HN 0.107 nan 8.230 nan 0.000 0.441 263 F N 0.158 120.241 119.950 0.222 0.000 2.074 263 F HA 0.030 4.557 4.527 -0.000 0.000 0.293 263 F C 2.656 178.507 175.800 0.085 0.000 1.116 263 F CA 0.679 58.771 58.000 0.153 0.000 1.212 263 F CB -1.690 37.387 39.000 0.129 0.000 0.998 263 F HN 0.164 nan 8.300 nan 0.000 0.471 264 A N 1.220 124.204 122.820 0.274 0.000 1.929 264 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 264 A C -0.275 177.256 177.584 -0.089 0.000 1.211 264 A CA 2.394 54.419 52.037 -0.021 0.000 0.657 264 A CB -2.424 16.513 19.000 -0.105 0.000 0.827 264 A HN 0.298 nan 8.150 nan 0.000 0.462 265 P HA -0.036 nan 4.420 nan 0.000 0.239 265 P C 0.521 177.729 177.300 -0.153 0.000 1.184 265 P CA 0.860 64.041 63.100 0.136 0.000 0.760 265 P CB -0.161 31.549 31.700 0.018 0.000 0.884 266 F N -0.303 119.670 119.950 0.038 0.000 2.592 266 F HA 0.336 4.863 4.527 -0.000 0.000 0.280 266 F C 2.584 178.276 175.800 -0.180 0.000 1.083 266 F CA 0.304 58.276 58.000 -0.047 0.000 1.365 266 F CB -1.011 37.932 39.000 -0.095 0.000 1.100 266 F HN -0.198 nan 8.300 nan 0.000 0.633 267 A N -0.424 122.271 122.820 -0.209 0.000 2.032 267 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 267 A C 1.138 178.454 177.584 -0.447 0.000 1.165 267 A CA 1.673 53.359 52.037 -0.585 0.000 0.645 267 A CB -1.146 17.064 19.000 -1.316 0.000 0.807 267 A HN 0.520 nan 8.150 nan 0.000 0.453 268 Y N -0.720 119.597 120.300 0.028 0.000 2.524 268 Y HA 0.407 4.956 4.550 -0.000 0.000 0.266 268 Y C 0.330 176.297 175.900 0.113 0.000 1.180 268 Y CA -0.728 57.440 58.100 0.113 0.000 1.244 268 Y CB -0.276 38.290 38.460 0.176 0.000 1.125 268 Y HN 0.081 nan 8.280 nan 0.000 0.524 269 L N 1.990 123.318 121.223 0.176 0.000 2.410 269 L HA 0.105 4.444 4.340 -0.000 0.000 0.273 269 L C -1.041 175.897 176.870 0.113 0.000 1.152 269 L CA -1.432 53.493 54.840 0.142 0.000 0.855 269 L CB 0.810 42.943 42.059 0.122 0.000 1.129 269 L HN 0.030 nan 8.230 nan 0.000 0.463 270 P HA -0.167 nan 4.420 nan 0.000 0.218 270 P C 0.096 177.434 177.300 0.062 0.000 1.152 270 P CA 1.449 64.599 63.100 0.084 0.000 0.857 270 P CB 0.281 32.024 31.700 0.071 0.000 0.787 271 E N -5.225 115.009 120.200 0.057 0.000 2.299 271 E HA 0.361 4.711 4.350 -0.000 0.000 0.260 271 E C 0.244 176.870 176.600 0.043 0.000 1.288 271 E CA 0.263 56.687 56.400 0.039 0.000 0.904 271 E CB 0.068 29.786 29.700 0.030 0.000 1.562 271 E HN 0.048 nan 8.360 nan 0.000 0.462 272 G N 1.330 110.146 108.800 0.027 0.000 2.155 272 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 272 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 272 G C 0.359 175.280 174.900 0.036 0.000 0.983 272 G CA 1.026 46.144 45.100 0.030 0.000 0.676 272 G HN 0.304 nan 8.290 nan 0.000 0.528 273 R N 0.844 121.357 120.500 0.021 0.000 2.489 273 R HA 0.372 4.712 4.340 -0.000 0.000 0.287 273 R C -1.978 174.280 176.300 -0.070 0.000 1.053 273 R CA -0.917 55.187 56.100 0.006 0.000 1.036 273 R CB 0.308 30.593 30.300 -0.026 0.000 0.966 273 R HN 0.129 nan 8.270 nan 0.000 0.432 274 P HA 0.068 nan 4.420 nan 0.000 0.274 274 P C -1.299 175.843 177.300 -0.263 0.000 1.237 274 P CA -0.375 62.592 63.100 -0.221 0.000 0.793 274 P CB 0.581 32.055 31.700 -0.376 0.000 0.977 275 K N 2.159 122.419 120.400 -0.234 0.000 2.379 275 K HA 0.217 4.537 4.320 -0.000 0.000 0.284 275 K C -0.763 175.622 176.600 -0.358 0.000 1.044 275 K CA -0.120 56.017 56.287 -0.251 0.000 0.974 275 K CB -0.237 32.159 32.500 -0.174 0.000 0.962 275 K HN 0.370 nan 8.250 nan 0.000 0.474 276 L N 6.740 127.666 121.223 -0.496 0.000 2.264 276 L HA 0.424 4.764 4.340 -0.000 0.000 0.289 276 L C -0.301 176.208 176.870 -0.601 0.000 1.044 276 L CA -0.715 53.639 54.840 -0.809 0.000 0.807 276 L CB 0.941 42.219 42.059 -1.301 0.000 1.192 276 L HN 0.586 nan 8.230 nan 0.000 0.425 277 I N 2.899 123.252 120.570 -0.361 0.000 2.420 277 I HA 0.355 4.524 4.170 -0.000 0.000 0.282 277 I C 0.585 176.679 176.117 -0.039 0.000 1.019 277 I CA -0.298 60.858 61.300 -0.239 0.000 1.130 277 I CB 1.696 39.608 38.000 -0.147 0.000 1.262 277 I HN 0.618 nan 8.210 nan 0.000 0.454 278 G N 5.359 114.037 108.800 -0.203 0.000 2.377 278 G HA2 0.568 4.528 3.960 -0.000 0.000 0.299 278 G HA3 0.568 4.528 3.960 -0.000 0.000 0.299 278 G C -0.604 174.213 174.900 -0.139 0.000 1.150 278 G CA -0.291 44.769 45.100 -0.067 0.000 0.847 278 G HN 0.311 nan 8.290 nan 0.000 0.501 279 V N 2.390 122.244 119.914 -0.100 0.000 2.448 279 V HA 0.371 4.491 4.120 -0.000 0.000 0.295 279 V C -0.014 176.044 176.094 -0.060 0.000 1.025 279 V CA -0.696 61.537 62.300 -0.111 0.000 0.859 279 V CB 1.491 33.284 31.823 -0.049 0.000 0.988 279 V HN 0.833 nan 8.190 nan 0.000 0.431 280 E N 2.075 122.248 120.200 -0.044 0.000 2.222 280 E HA 0.748 5.098 4.350 -0.000 0.000 0.267 280 E C -0.040 176.524 176.600 -0.060 0.000 0.963 280 E CA -0.677 55.683 56.400 -0.067 0.000 0.837 280 E CB 1.998 31.666 29.700 -0.053 0.000 1.183 280 E HN 0.822 nan 8.360 nan 0.000 0.403 281 A N 1.205 123.945 122.820 -0.132 0.000 2.310 281 A HA 0.546 4.866 4.320 -0.000 0.000 0.260 281 A C 0.378 177.972 177.584 0.017 0.000 1.112 281 A CA 0.179 52.140 52.037 -0.127 0.000 0.804 281 A CB 0.031 18.914 19.000 -0.195 0.000 1.081 281 A HN 0.707 nan 8.150 nan 0.000 0.499 324 V N 2.629 122.520 119.914 -0.038 0.000 2.588 324 V HA 0.829 4.949 4.120 -0.000 0.000 0.304 324 V C -0.607 175.470 176.094 -0.029 0.000 1.042 324 V CA -0.157 62.125 62.300 -0.031 0.000 0.877 324 V CB 1.570 33.380 31.823 -0.021 0.000 0.996 324 V HN 0.617 nan 8.190 nan 0.000 0.425 325 S N 3.662 119.347 115.700 -0.026 0.000 2.461 325 S HA 0.764 5.234 4.470 -0.000 0.000 0.322 325 S C -0.057 174.547 174.600 0.006 0.000 1.063 325 S CA -0.141 58.054 58.200 -0.008 0.000 1.120 325 S CB 0.604 63.802 63.200 -0.002 0.000 0.968 325 S HN 1.167 nan 8.310 nan 0.000 0.467 326 A N 4.019 126.847 122.820 0.014 0.000 2.306 326 A HA 0.815 5.135 4.320 -0.000 0.000 0.314 326 A C 1.296 178.898 177.584 0.031 0.000 1.164 326 A CA 0.072 52.118 52.037 0.016 0.000 0.822 326 A CB 0.070 19.079 19.000 0.015 0.000 1.130 326 A HN 1.930 nan 8.150 nan 0.000 0.496 327 G N 0.348 109.162 108.800 0.023 0.000 2.620 327 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.315 327 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.315 327 G C 0.538 175.473 174.900 0.058 0.000 1.179 327 G CA 0.880 45.997 45.100 0.029 0.000 0.971 327 G HN 1.247 nan 8.290 nan 0.000 0.544 328 L N 1.217 122.486 121.223 0.077 0.000 2.959 328 L HA 0.364 4.704 4.340 -0.000 0.000 0.259 328 L C 0.606 177.535 176.870 0.098 0.000 1.185 328 L CA -0.217 54.679 54.840 0.094 0.000 0.998 328 L CB 0.497 42.611 42.059 0.091 0.000 1.337 328 L HN 0.473 nan 8.230 nan 0.000 0.555 329 D N 0.191 120.646 120.400 0.092 0.000 2.360 329 D HA 0.153 4.792 4.640 -0.000 0.000 0.242 329 D C -1.100 175.313 176.300 0.190 0.000 1.184 329 D CA 0.434 54.491 54.000 0.095 0.000 0.930 329 D CB 0.805 41.634 40.800 0.049 0.000 1.161 329 D HN -0.046 nan 8.370 nan 0.000 0.447 330 Y N 0.818 121.119 120.300 0.001 0.000 2.519 330 Y HA 0.345 4.894 4.550 -0.000 0.000 0.336 330 Y C -2.405 173.491 175.900 -0.007 0.000 1.089 330 Y CA -1.782 56.323 58.100 0.008 0.000 1.025 330 Y CB 1.721 40.195 38.460 0.025 0.000 1.318 330 Y HN 0.311 nan 8.280 nan 0.000 0.452 331 P HA 0.485 nan 4.420 nan 0.000 0.272 331 P C 0.080 177.270 177.300 -0.185 0.000 1.223 331 P CA 0.924 63.850 63.100 -0.290 0.000 0.784 331 P CB 1.158 32.647 31.700 -0.351 0.000 0.923 332 G N 0.410 109.151 108.800 -0.099 0.000 2.566 332 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.599 332 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.599 332 G C 0.459 175.331 174.900 -0.047 0.000 1.292 332 G CA -0.294 44.767 45.100 -0.065 0.000 0.922 332 G HN 0.599 nan 8.290 nan 0.000 0.514 333 V N -1.581 118.282 119.914 -0.086 0.000 3.406 333 V HA 0.572 4.692 4.120 -0.000 0.000 0.263 333 V C 1.674 177.754 176.094 -0.023 0.000 1.172 333 V CA 1.444 63.689 62.300 -0.091 0.000 1.140 333 V CB -0.625 31.061 31.823 -0.229 0.000 0.784 333 V HN 2.860 nan 8.190 nan 0.000 0.467 334 G N -0.094 108.689 108.800 -0.028 0.000 2.555 334 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.686 334 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.686 334 G C -1.845 172.938 174.900 -0.196 0.000 1.275 334 G CA -0.311 44.757 45.100 -0.054 0.000 0.871 334 G HN 0.222 nan 8.290 nan 0.000 0.603 335 P HA -0.031 nan 4.420 nan 0.000 0.215 335 P C 1.533 178.406 177.300 -0.711 0.000 1.157 335 P CA 1.860 64.748 63.100 -0.353 0.000 0.868 335 P CB 0.140 31.706 31.700 -0.223 0.000 0.788 336 E N -1.670 117.870 120.200 -1.101 0.000 2.106 336 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 336 E C 2.001 177.990 176.600 -1.018 0.000 0.984 336 E CA 0.930 56.599 56.400 -1.218 0.000 0.806 336 E CB -0.288 28.690 29.700 -1.204 0.000 0.750 336 E HN 0.298 nan 8.360 nan 0.000 0.458 337 H N -0.543 118.159 119.070 -0.614 0.000 2.428 337 H HA 0.035 4.591 4.556 -0.000 0.000 0.296 337 H C 2.271 177.361 175.328 -0.397 0.000 1.062 337 H CA 1.318 57.156 56.048 -0.350 0.000 1.350 337 H CB 0.143 29.741 29.762 -0.273 0.000 1.403 337 H HN 0.137 nan 8.280 nan 0.000 0.533 338 S N 0.265 115.699 115.700 -0.443 0.000 2.368 338 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 338 S C 2.001 176.284 174.600 -0.529 0.000 1.029 338 S CA 0.905 58.701 58.200 -0.674 0.000 0.988 338 S CB -0.338 62.098 63.200 -1.274 0.000 0.838 338 S HN 0.505 nan 8.310 nan 0.000 0.462 339 Y N 1.227 121.258 120.300 -0.448 0.000 2.242 339 Y HA -0.168 4.381 4.550 -0.000 0.000 0.291 339 Y C 1.907 177.905 175.900 0.164 0.000 1.137 339 Y CA 1.223 59.335 58.100 0.020 0.000 1.181 339 Y CB -0.499 38.058 38.460 0.161 0.000 0.989 339 Y HN 0.173 nan 8.280 nan 0.000 0.527 340 Y N 0.133 120.379 120.300 -0.091 0.000 2.128 340 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 340 Y C 2.775 178.628 175.900 -0.077 0.000 1.154 340 Y CA 0.745 58.783 58.100 -0.103 0.000 1.149 340 Y CB -1.563 36.979 38.460 0.137 0.000 0.976 340 Y HN 0.255 nan 8.280 nan 0.000 0.505 341 A N 0.407 123.362 122.820 0.224 0.000 1.851 341 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 341 A C 2.044 179.655 177.584 0.046 0.000 1.195 341 A CA 2.212 54.356 52.037 0.178 0.000 0.622 341 A CB -0.973 18.093 19.000 0.111 0.000 0.831 341 A HN 0.382 nan 8.150 nan 0.000 0.444 342 D N 0.020 120.425 120.400 0.008 0.000 2.087 342 D HA -0.091 4.549 4.640 -0.000 0.000 0.192 342 D C 2.158 178.428 176.300 -0.050 0.000 0.993 342 D CA 1.923 55.937 54.000 0.023 0.000 0.828 342 D CB -0.604 40.270 40.800 0.123 0.000 0.968 342 D HN 0.433 nan 8.370 nan 0.000 0.448 343 A N -0.310 122.384 122.820 -0.209 0.000 2.125 343 A HA 0.185 4.504 4.320 -0.000 0.000 0.219 343 A C 1.893 179.417 177.584 -0.101 0.000 1.156 343 A CA 1.784 53.698 52.037 -0.205 0.000 0.671 343 A CB -0.649 18.074 19.000 -0.462 0.000 0.794 343 A HN 0.394 nan 8.150 nan 0.000 0.459 344 G N -1.753 107.002 108.800 -0.075 0.000 2.143 344 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 344 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 344 G C 0.891 175.740 174.900 -0.085 0.000 0.991 344 G CA 0.909 45.979 45.100 -0.049 0.000 0.689 344 G HN 1.638 nan 8.290 nan 0.000 0.522 345 V N -3.525 116.316 119.914 -0.121 0.000 3.623 345 V HA 0.745 4.865 4.120 -0.000 0.000 0.271 345 V C 0.908 176.825 176.094 -0.294 0.000 1.248 345 V CA 1.106 63.283 62.300 -0.205 0.000 1.156 345 V CB -0.026 31.637 31.823 -0.267 0.000 0.870 345 V HN 2.024 nan 8.190 nan 0.000 0.453 346 A N 0.876 123.579 122.820 -0.196 0.000 2.566 346 A HA 0.737 5.056 4.320 -0.000 0.000 0.297 346 A C -0.744 176.707 177.584 -0.223 0.000 1.059 346 A CA -0.509 51.353 52.037 -0.292 0.000 0.691 346 A CB 1.425 20.292 19.000 -0.222 0.000 1.282 346 A HN 0.628 nan 8.150 nan 0.000 0.401 347 E N 0.857 120.810 120.200 -0.411 0.000 2.256 347 E HA 0.756 5.106 4.350 -0.000 0.000 0.267 347 E C -1.729 174.515 176.600 -0.594 0.000 0.892 347 E CA -0.656 55.574 56.400 -0.283 0.000 0.775 347 E CB 1.622 31.227 29.700 -0.158 0.000 1.207 347 E HN 0.528 nan 8.360 nan 0.000 0.420 348 Y N 0.412 120.671 120.300 -0.069 0.000 2.509 348 Y HA 0.770 5.320 4.550 -0.000 0.000 0.341 348 Y C 0.114 175.923 175.900 -0.152 0.000 1.038 348 Y CA -0.609 57.425 58.100 -0.110 0.000 1.089 348 Y CB 2.426 40.833 38.460 -0.087 0.000 1.241 348 Y HN 0.851 nan 8.280 nan 0.000 0.468 349 A N 0.825 123.576 122.820 -0.115 0.000 2.568 349 A HA 0.902 5.222 4.320 -0.000 0.000 0.291 349 A C -1.077 176.448 177.584 -0.099 0.000 1.159 349 A CA -0.347 51.595 52.037 -0.157 0.000 0.679 349 A CB 1.390 20.133 19.000 -0.428 0.000 1.285 349 A HN 0.870 nan 8.150 nan 0.000 0.428 350 S N -1.355 114.341 115.700 -0.005 0.000 2.638 350 S HA 0.872 5.342 4.470 -0.000 0.000 0.274 350 S C -0.692 173.989 174.600 0.136 0.000 1.157 350 S CA -0.047 58.188 58.200 0.058 0.000 0.826 350 S CB 1.028 64.257 63.200 0.048 0.000 1.139 350 S HN 2.270 nan 8.310 nan 0.000 0.474 351 V N -1.552 118.461 119.914 0.164 0.000 3.130 351 V HA 0.902 5.022 4.120 -0.000 0.000 0.310 351 V C 0.160 176.322 176.094 0.114 0.000 1.158 351 V CA -0.446 61.941 62.300 0.146 0.000 1.029 351 V CB 1.032 32.947 31.823 0.152 0.000 1.057 351 V HN 1.326 nan 8.190 nan 0.000 0.436 352 T N -1.645 112.947 114.554 0.062 0.000 2.868 352 T HA 0.244 4.593 4.350 -0.000 0.000 0.292 352 T C 0.660 175.363 174.700 0.005 0.000 1.028 352 T CA 0.219 62.344 62.100 0.041 0.000 1.059 352 T CB 0.875 69.758 68.868 0.024 0.000 0.991 352 T HN 0.753 nan 8.240 nan 0.000 0.531 353 D N 0.381 120.789 120.400 0.014 0.000 2.133 353 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 353 D C 1.869 178.133 176.300 -0.060 0.000 0.997 353 D CA 1.200 55.189 54.000 -0.019 0.000 0.840 353 D CB 0.045 40.849 40.800 0.006 0.000 0.947 353 D HN 0.665 nan 8.370 nan 0.000 0.452 354 E N 0.794 120.976 120.200 -0.030 0.000 2.153 354 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 354 E C 1.904 178.489 176.600 -0.025 0.000 0.988 354 E CA 0.681 57.066 56.400 -0.024 0.000 0.811 354 E CB 0.099 29.796 29.700 -0.006 0.000 0.746 354 E HN 0.471 nan 8.360 nan 0.000 0.466 355 E N -0.006 120.177 120.200 -0.028 0.000 2.107 355 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 355 E C 1.998 178.574 176.600 -0.040 0.000 0.982 355 E CA 0.792 57.184 56.400 -0.014 0.000 0.809 355 E CB -0.030 29.672 29.700 0.003 0.000 0.756 355 E HN 0.169 nan 8.360 nan 0.000 0.459 356 A N 1.260 123.991 122.820 -0.148 0.000 1.930 356 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 356 A C 2.150 179.675 177.584 -0.099 0.000 1.175 356 A CA 0.769 52.657 52.037 -0.247 0.000 0.627 356 A CB -0.441 18.064 19.000 -0.825 0.000 0.815 356 A HN 0.202 nan 8.150 nan 0.000 0.443 357 L N -0.317 120.849 121.223 -0.094 0.000 2.131 357 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 357 L C 2.128 179.031 176.870 0.054 0.000 1.092 357 L CA 2.432 57.243 54.840 -0.047 0.000 0.759 357 L CB -0.365 41.654 42.059 -0.067 0.000 0.903 357 L HN 0.429 nan 8.230 nan 0.000 0.435 358 E N -0.809 119.416 120.200 0.043 0.000 2.208 358 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 358 E C 2.100 178.755 176.600 0.091 0.000 0.988 358 E CA 1.043 57.484 56.400 0.068 0.000 0.828 358 E CB -0.438 29.297 29.700 0.058 0.000 0.763 358 E HN 0.496 nan 8.360 nan 0.000 0.478 359 G N -0.386 108.476 108.800 0.104 0.000 2.403 359 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 359 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 359 G C 1.493 176.471 174.900 0.129 0.000 1.154 359 G CA 0.463 45.636 45.100 0.123 0.000 0.784 359 G HN 0.367 nan 8.290 nan 0.000 0.538 360 F N 1.571 121.516 119.950 -0.007 0.000 2.065 360 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 360 F C 2.732 178.517 175.800 -0.025 0.000 1.112 360 F CA 2.181 60.175 58.000 -0.009 0.000 1.212 360 F CB 0.041 39.035 39.000 -0.009 0.000 0.975 360 F HN 0.046 nan 8.300 nan 0.000 0.476 361 K N -0.197 120.308 120.400 0.174 0.000 2.097 361 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 361 K C 1.854 178.410 176.600 -0.073 0.000 1.050 361 K CA 1.347 57.656 56.287 0.036 0.000 0.938 361 K CB -0.430 32.124 32.500 0.090 0.000 0.718 361 K HN 0.270 nan 8.250 nan 0.000 0.442 362 L N 0.837 122.014 121.223 -0.076 0.000 2.046 362 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 362 L C 1.942 178.663 176.870 -0.248 0.000 1.077 362 L CA 1.380 56.105 54.840 -0.192 0.000 0.747 362 L CB -0.311 41.635 42.059 -0.190 0.000 0.896 362 L HN 0.102 nan 8.230 nan 0.000 0.432 363 L N -0.672 120.436 121.223 -0.193 0.000 2.217 363 L HA 0.045 4.385 4.340 -0.000 0.000 0.211 363 L C 2.391 179.141 176.870 -0.200 0.000 1.107 363 L CA 1.670 56.392 54.840 -0.198 0.000 0.783 363 L CB -0.738 41.239 42.059 -0.136 0.000 0.919 363 L HN 0.273 nan 8.230 nan 0.000 0.442 364 A N -0.458 122.226 122.820 -0.228 0.000 1.898 364 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 364 A C 2.529 180.015 177.584 -0.162 0.000 1.181 364 A CA 1.605 53.508 52.037 -0.222 0.000 0.620 364 A CB -0.545 18.291 19.000 -0.273 0.000 0.819 364 A HN 0.450 nan 8.150 nan 0.000 0.442 365 R N -0.573 119.834 120.500 -0.155 0.000 2.073 365 R HA 0.046 4.386 4.340 -0.000 0.000 0.229 365 R C 1.780 177.996 176.300 -0.139 0.000 1.120 365 R CA 1.335 57.357 56.100 -0.130 0.000 0.967 365 R CB -0.225 30.001 30.300 -0.123 0.000 0.862 365 R HN 0.518 nan 8.270 nan 0.000 0.436 366 L N -0.313 120.797 121.223 -0.189 0.000 2.298 366 L HA 0.061 4.401 4.340 -0.000 0.000 0.209 366 L C 1.552 178.337 176.870 -0.141 0.000 1.084 366 L CA 0.551 55.277 54.840 -0.189 0.000 0.816 366 L CB 0.087 41.964 42.059 -0.303 0.000 0.967 366 L HN 0.110 nan 8.230 nan 0.000 0.460 367 E N -0.372 119.751 120.200 -0.127 0.000 2.490 367 E HA 0.154 4.504 4.350 -0.000 0.000 0.209 367 E C 1.267 177.825 176.600 -0.070 0.000 0.971 367 E CA 0.719 57.085 56.400 -0.056 0.000 0.988 367 E CB 0.938 30.634 29.700 -0.008 0.000 1.029 367 E HN 0.323 nan 8.360 nan 0.000 0.496 368 G N 2.004 110.742 108.800 -0.103 0.000 2.147 368 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 368 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 368 G C 0.206 175.029 174.900 -0.128 0.000 1.005 368 G CA 0.358 45.393 45.100 -0.108 0.000 0.713 368 G HN 0.239 nan 8.290 nan 0.000 0.515 369 I N 0.881 121.366 120.570 -0.142 0.000 2.382 369 I HA 0.413 4.582 4.170 -0.000 0.000 0.286 369 I C 0.397 176.397 176.117 -0.196 0.000 1.002 369 I CA -0.978 60.233 61.300 -0.149 0.000 1.135 369 I CB 1.563 39.489 38.000 -0.123 0.000 1.288 369 I HN -0.049 nan 8.210 nan 0.000 0.448 370 I N 8.987 129.428 120.570 -0.216 0.000 2.281 370 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 370 I C -1.917 174.047 176.117 -0.254 0.000 1.085 370 I CA -1.650 59.433 61.300 -0.362 0.000 1.257 370 I CB 0.569 38.374 38.000 -0.324 0.000 1.430 370 I HN 0.268 nan 8.210 nan 0.000 0.489 371 P HA 0.188 nan 4.420 nan 0.000 0.274 371 P C -0.480 176.914 177.300 0.156 0.000 1.256 371 P CA -0.401 62.686 63.100 -0.021 0.000 0.795 371 P CB 1.061 32.773 31.700 0.021 0.000 1.038 372 A N 1.275 124.206 122.820 0.186 0.000 2.351 372 A HA 0.171 4.491 4.320 -0.000 0.000 0.257 372 A C 1.731 179.492 177.584 0.295 0.000 1.087 372 A CA -0.509 51.666 52.037 0.231 0.000 0.798 372 A CB -0.618 18.477 19.000 0.158 0.000 1.033 372 A HN 0.651 nan 8.150 nan 0.000 0.488 373 L N 0.351 121.724 121.223 0.250 0.000 2.127 373 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 373 L C 2.536 179.592 176.870 0.310 0.000 1.089 373 L CA 2.023 56.981 54.840 0.197 0.000 0.757 373 L CB -0.201 41.890 42.059 0.053 0.000 0.899 373 L HN 1.049 nan 8.230 nan 0.000 0.434 374 E N -0.519 119.824 120.200 0.238 0.000 2.051 374 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 374 E C 2.168 178.905 176.600 0.229 0.000 0.991 374 E CA 1.454 57.970 56.400 0.194 0.000 0.799 374 E CB 0.127 29.872 29.700 0.075 0.000 0.748 374 E HN 0.359 nan 8.360 nan 0.000 0.449 375 S N 0.145 115.960 115.700 0.191 0.000 2.423 375 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 375 S C 1.876 176.599 174.600 0.204 0.000 1.014 375 S CA 0.708 59.008 58.200 0.167 0.000 0.965 375 S CB -0.029 63.251 63.200 0.133 0.000 0.785 375 S HN 0.441 nan 8.310 nan 0.000 0.495 376 A N 0.861 123.824 122.820 0.238 0.000 2.070 376 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 376 A C 1.654 179.325 177.584 0.146 0.000 1.159 376 A CA 1.405 53.562 52.037 0.201 0.000 0.656 376 A CB -0.656 18.485 19.000 0.234 0.000 0.800 376 A HN 0.524 nan 8.150 nan 0.000 0.453 377 H N -0.518 118.624 119.070 0.120 0.000 2.357 377 H HA 0.123 4.679 4.556 -0.000 0.000 0.301 377 H C 2.432 177.843 175.328 0.139 0.000 1.082 377 H CA 1.567 57.680 56.048 0.108 0.000 1.342 377 H CB -0.095 29.709 29.762 0.070 0.000 1.389 377 H HN 0.506 nan 8.280 nan 0.000 0.511 378 A N 0.842 123.818 122.820 0.261 0.000 1.929 378 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 378 A C 2.136 179.868 177.584 0.246 0.000 1.176 378 A CA 1.053 53.227 52.037 0.228 0.000 0.628 378 A CB -0.347 18.756 19.000 0.172 0.000 0.816 378 A HN 0.227 nan 8.150 nan 0.000 0.444 379 I N 0.290 121.002 120.570 0.236 0.000 2.127 379 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 379 I C 2.993 179.273 176.117 0.272 0.000 1.075 379 I CA 1.608 63.083 61.300 0.290 0.000 1.334 379 I CB -1.650 36.495 38.000 0.241 0.000 1.040 379 I HN 0.369 nan 8.210 nan 0.000 0.405 380 A N -0.052 122.884 122.820 0.194 0.000 1.917 380 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 380 A C 2.387 180.002 177.584 0.052 0.000 1.182 380 A CA 1.909 54.020 52.037 0.125 0.000 0.633 380 A CB -1.269 17.776 19.000 0.075 0.000 0.819 380 A HN 0.503 nan 8.150 nan 0.000 0.448 381 Y N 0.440 120.751 120.300 0.018 0.000 2.242 381 Y HA -0.028 4.521 4.550 -0.000 0.000 0.291 381 Y C 2.615 178.443 175.900 -0.122 0.000 1.137 381 Y CA 1.063 59.144 58.100 -0.031 0.000 1.181 381 Y CB -0.447 38.017 38.460 0.006 0.000 0.989 381 Y HN 0.308 nan 8.280 nan 0.000 0.527 382 A N 0.288 123.030 122.820 -0.129 0.000 2.019 382 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 382 A C 2.355 179.397 177.584 -0.903 0.000 1.164 382 A CA 1.479 53.308 52.037 -0.347 0.000 0.644 382 A CB -1.331 17.628 19.000 -0.069 0.000 0.805 382 A HN 0.564 nan 8.150 nan 0.000 0.449 383 A N -0.207 122.095 122.820 -0.864 0.000 2.070 383 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 383 A C 1.952 179.099 177.584 -0.729 0.000 1.159 383 A CA 1.652 53.054 52.037 -1.057 0.000 0.656 383 A CB -0.301 18.554 19.000 -0.242 0.000 0.800 383 A HN 0.557 nan 8.150 nan 0.000 0.453 384 K N -0.756 119.277 120.400 -0.613 0.000 2.404 384 K HA 0.134 4.454 4.320 -0.000 0.000 0.194 384 K C 1.121 177.428 176.600 -0.488 0.000 1.023 384 K CA 0.897 56.883 56.287 -0.501 0.000 1.094 384 K CB 0.489 32.688 32.500 -0.502 0.000 0.841 384 K HN 0.516 nan 8.250 nan 0.000 0.523 385 V N -5.224 114.368 119.914 -0.537 0.000 3.368 385 V HA 0.071 4.191 4.120 -0.000 0.000 0.255 385 V C 1.636 177.560 176.094 -0.284 0.000 1.466 385 V CA -0.211 61.873 62.300 -0.361 0.000 1.095 385 V CB 0.114 31.748 31.823 -0.315 0.000 0.899 385 V HN -0.148 nan 8.190 nan 0.000 0.440 386 V N 2.071 121.761 119.914 -0.374 0.000 2.307 386 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 386 V C 0.617 176.629 176.094 -0.137 0.000 1.045 386 V CA 2.934 65.098 62.300 -0.227 0.000 1.024 386 V CB -1.647 30.046 31.823 -0.217 0.000 0.651 386 V HN 0.508 nan 8.190 nan 0.000 0.449 387 P HA -0.149 nan 4.420 nan 0.000 0.218 387 P C 0.688 177.949 177.300 -0.065 0.000 1.148 387 P CA 1.074 64.131 63.100 -0.073 0.000 0.822 387 P CB 0.078 31.713 31.700 -0.107 0.000 0.784 391 K N 0.276 120.681 120.400 0.007 0.000 2.519 391 K HA -0.099 4.221 4.320 -0.000 0.000 0.196 391 K C 0.915 177.522 176.600 0.012 0.000 1.041 391 K CA 1.037 57.336 56.287 0.020 0.000 0.954 391 K CB 0.183 32.697 32.500 0.023 0.000 0.774 391 K HN 0.398 nan 8.250 nan 0.000 0.480 392 D N -0.437 119.959 120.400 -0.006 0.000 2.379 392 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 392 D C 0.163 176.430 176.300 -0.056 0.000 1.065 392 D CA 0.022 54.009 54.000 -0.021 0.000 0.848 392 D CB 0.212 41.003 40.800 -0.016 0.000 0.949 392 D HN 0.113 nan 8.370 nan 0.000 0.509 393 Q N 0.402 120.170 119.800 -0.053 0.000 2.260 393 Q HA 0.524 4.864 4.340 -0.000 0.000 0.242 393 Q C -0.671 175.267 176.000 -0.103 0.000 0.932 393 Q CA -0.714 55.038 55.803 -0.085 0.000 0.891 393 Q CB 2.813 31.515 28.738 -0.060 0.000 1.222 393 Q HN -0.063 nan 8.270 nan 0.000 0.453 394 V N 1.779 121.588 119.914 -0.174 0.000 2.555 394 V HA 0.453 4.573 4.120 -0.000 0.000 0.302 394 V C -0.600 175.450 176.094 -0.073 0.000 1.038 394 V CA -0.711 61.482 62.300 -0.179 0.000 0.887 394 V CB 1.943 33.406 31.823 -0.599 0.000 0.991 394 V HN 0.479 nan 8.190 nan 0.000 0.434 395 V N 4.994 124.947 119.914 0.065 0.000 2.531 395 V HA 0.476 4.596 4.120 -0.000 0.000 0.301 395 V C -0.431 175.777 176.094 0.190 0.000 1.034 395 V CA -0.573 61.779 62.300 0.087 0.000 0.865 395 V CB 2.257 34.135 31.823 0.093 0.000 0.995 395 V HN 0.612 nan 8.190 nan 0.000 0.424 396 V N 6.547 126.547 119.914 0.143 0.000 2.394 396 V HA 0.526 4.646 4.120 -0.000 0.000 0.282 396 V C -0.148 176.055 176.094 0.181 0.000 1.031 396 V CA -0.357 62.063 62.300 0.200 0.000 0.881 396 V CB 1.637 33.548 31.823 0.146 0.000 0.982 396 V HN 0.650 nan 8.190 nan 0.000 0.451 397 I N 3.965 124.663 120.570 0.213 0.000 2.433 397 I HA 0.380 4.549 4.170 -0.000 0.000 0.292 397 I C -0.060 176.161 176.117 0.173 0.000 1.001 397 I CA -0.520 60.895 61.300 0.192 0.000 1.119 397 I CB 1.749 39.877 38.000 0.213 0.000 1.289 397 I HN 0.556 nan 8.210 nan 0.000 0.438 398 N N 5.154 123.938 118.700 0.140 0.000 2.422 398 N HA 0.332 5.072 4.740 -0.000 0.000 0.264 398 N C -1.076 174.483 175.510 0.083 0.000 1.063 398 N CA -0.400 52.712 53.050 0.103 0.000 0.959 398 N CB 0.711 39.230 38.487 0.055 0.000 1.087 398 N HN 0.382 nan 8.380 nan 0.000 0.483 399 L N 3.708 124.983 121.223 0.087 0.000 2.360 399 L HA 0.215 4.555 4.340 -0.000 0.000 0.265 399 L C 1.465 178.373 176.870 0.063 0.000 1.066 399 L CA 0.055 54.943 54.840 0.080 0.000 0.929 399 L CB 0.233 42.343 42.059 0.085 0.000 1.306 399 L HN 0.741 nan 8.230 nan 0.000 0.434 400 S N 0.784 116.501 115.700 0.027 0.000 2.368 400 S HA -0.050 4.420 4.470 -0.000 0.000 0.226 400 S C 0.953 175.662 174.600 0.181 0.000 1.044 400 S CA 0.948 59.163 58.200 0.024 0.000 1.062 400 S CB -0.391 62.791 63.200 -0.031 0.000 0.931 400 S HN 0.569 nan 8.310 nan 0.000 0.440 401 G N 0.579 109.465 108.800 0.145 0.000 2.788 401 G HA2 0.633 4.592 3.960 -0.000 0.000 0.293 401 G HA3 0.633 4.592 3.960 -0.000 0.000 0.293 401 G C -1.330 173.621 174.900 0.085 0.000 1.392 401 G CA -1.322 43.852 45.100 0.123 0.000 0.810 401 G HN 0.616 nan 8.290 nan 0.000 0.508 402 R N -1.115 119.421 120.500 0.060 0.000 2.500 402 R HA 0.605 4.945 4.340 -0.000 0.000 0.277 402 R C 0.700 177.043 176.300 0.072 0.000 1.026 402 R CA -0.167 55.959 56.100 0.042 0.000 1.058 402 R CB 1.486 31.793 30.300 0.012 0.000 1.078 402 R HN 0.590 nan 8.270 nan 0.000 0.509 403 G N 0.724 109.574 108.800 0.084 0.000 3.314 403 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.238 403 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.238 403 G C 0.119 175.118 174.900 0.165 0.000 1.184 403 G CA -0.335 44.876 45.100 0.184 0.000 0.806 403 G HN 0.712 nan 8.290 nan 0.000 0.536 404 D N 1.107 121.556 120.400 0.082 0.000 2.392 404 D HA -0.067 4.573 4.640 -0.000 0.000 0.228 404 D C 2.168 178.510 176.300 0.070 0.000 1.003 404 D CA 0.788 54.827 54.000 0.065 0.000 0.917 404 D CB 0.345 41.161 40.800 0.026 0.000 0.890 404 D HN 0.651 nan 8.370 nan 0.000 0.532 405 K N -0.056 120.393 120.400 0.082 0.000 2.240 405 K HA 0.040 4.360 4.320 -0.000 0.000 0.202 405 K C 1.144 177.782 176.600 0.064 0.000 1.053 405 K CA 0.198 56.522 56.287 0.061 0.000 0.973 405 K CB 0.208 32.738 32.500 0.049 0.000 0.924 405 K HN -0.229 nan 8.250 nan 0.000 0.477 406 D N 1.679 122.132 120.400 0.087 0.000 2.363 406 D HA -0.078 4.562 4.640 -0.000 0.000 0.220 406 D C 1.765 178.068 176.300 0.006 0.000 0.994 406 D CA 0.421 54.438 54.000 0.028 0.000 0.890 406 D CB 0.509 41.314 40.800 0.009 0.000 0.906 406 D HN 0.084 nan 8.370 nan 0.000 0.530 407 V N 0.753 120.754 119.914 0.145 0.000 2.626 407 V HA -0.194 3.926 4.120 -0.000 0.000 0.252 407 V C 2.019 178.157 176.094 0.072 0.000 1.067 407 V CA 1.826 64.244 62.300 0.198 0.000 1.081 407 V CB -0.297 31.663 31.823 0.228 0.000 0.686 407 V HN 0.125 nan 8.190 nan 0.000 0.468 408 T N -0.356 114.222 114.554 0.040 0.000 2.896 408 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 408 T C 1.739 176.434 174.700 -0.009 0.000 1.050 408 T CA 1.560 63.671 62.100 0.017 0.000 1.140 408 T CB -0.078 68.799 68.868 0.016 0.000 0.877 408 T HN 0.694 nan 8.240 nan 0.000 0.457 409 E N 0.849 121.030 120.200 -0.030 0.000 2.046 409 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 409 E C 0.829 177.376 176.600 -0.088 0.000 0.982 409 E CA 0.541 56.908 56.400 -0.054 0.000 0.800 409 E CB 0.028 29.691 29.700 -0.062 0.000 0.756 409 E HN 0.178 nan 8.360 nan 0.000 0.449 413 L N 1.806 123.009 121.223 -0.032 0.000 2.749 413 L HA 0.317 4.657 4.340 -0.000 0.000 0.245 413 L C 0.795 177.650 176.870 -0.025 0.000 1.156 413 L CA 1.214 56.036 54.840 -0.030 0.000 0.890 413 L CB -0.237 41.797 42.059 -0.041 0.000 1.036 413 L HN 0.244 nan 8.230 nan 0.000 0.441 414 L N 0.019 121.230 121.223 -0.019 0.000 3.333 414 L HA 0.626 4.966 4.340 -0.000 0.000 0.299 414 L C 0.906 177.776 176.870 -0.000 0.000 1.256 414 L CA -0.022 54.814 54.840 -0.008 0.000 1.037 414 L CB 0.167 42.224 42.059 -0.003 0.000 1.423 414 L HN 0.540 nan 8.230 nan 0.000 0.605 415 G N 0.000 108.799 108.800 -0.002 0.000 5.446 415 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 415 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 415 G CA 0.000 45.100 45.100 0.001 0.000 0.502 415 G HN 0.000 nan 8.290 nan 0.000 0.925