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 3g9z_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAGPEIVKLK KILREKAVPP GTEVPLDVMR KGMEKVAFKA ADDIQVEQVT DATA SEQUENCE VAGCAAEWVR APGCQAGKAI LYLHGGGYVM GSINTHRSMV GEISRASQAA DATA SEQUENCE ALLLDYRLAP EHPFPAAVED GVAAYRWLLD QGFKPQHLSI SGDSAGGGLV DATA SEQUENCE LAVLVSARDQ GLPMPASAIP ISPWADMTCT NDSFKTRAEA DPMVAPGGIN DATA SEQUENCE KMAARYLNGA DAKHPYASPN FANLKGLPPL LIHVGRDEVL LDDSIKLDAK DATA SEQUENCE AKADGVKSTL EIWDDMIHVW HAFHPMLPEG KQAIVRVGEF MREQWAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 A N 1.660 124.457 122.820 -0.039 0.000 2.304 2 A HA 0.848 5.169 4.320 0.001 0.000 0.271 2 A C 0.760 178.325 177.584 -0.032 0.000 1.091 2 A CA 0.261 52.274 52.037 -0.041 0.000 0.812 2 A CB 0.381 19.354 19.000 -0.044 0.000 1.056 2 A HN 1.034 nan 8.150 nan 0.000 0.489 3 G N 0.124 108.906 108.800 -0.029 0.000 2.539 3 G HA2 0.467 4.428 3.960 0.001 0.000 0.258 3 G HA3 0.467 4.428 3.960 0.001 0.000 0.258 3 G C -1.320 173.568 174.900 -0.019 0.000 1.202 3 G CA -0.872 44.217 45.100 -0.019 0.000 0.851 3 G HN 0.513 nan 8.290 nan 0.000 0.556 4 P HA 0.004 nan 4.420 nan 0.000 0.225 4 P C 0.899 178.189 177.300 -0.017 0.000 1.156 4 P CA 0.828 63.919 63.100 -0.016 0.000 0.787 4 P CB 0.608 32.301 31.700 -0.011 0.000 0.802 5 E N 0.128 120.321 120.200 -0.011 0.000 2.047 5 E HA -0.114 4.237 4.350 0.001 0.000 0.191 5 E C 1.961 178.546 176.600 -0.025 0.000 0.987 5 E CA 0.733 57.127 56.400 -0.010 0.000 0.799 5 E CB -0.947 28.757 29.700 0.006 0.000 0.752 5 E HN 0.145 nan 8.360 nan 0.000 0.449 6 I N 0.028 120.581 120.570 -0.028 0.000 2.493 6 I HA -0.167 4.004 4.170 0.001 0.000 0.254 6 I C 1.659 177.739 176.117 -0.061 0.000 1.160 6 I CA 0.871 62.141 61.300 -0.051 0.000 1.445 6 I CB 0.179 38.145 38.000 -0.056 0.000 1.086 6 I HN -0.065 nan 8.210 nan 0.000 0.433 7 V N 0.832 120.718 119.914 -0.047 0.000 2.346 7 V HA -0.172 3.949 4.120 0.001 0.000 0.244 7 V C 2.557 178.625 176.094 -0.044 0.000 1.037 7 V CA 1.659 63.933 62.300 -0.044 0.000 1.029 7 V CB -0.866 30.936 31.823 -0.034 0.000 0.663 7 V HN 0.383 nan 8.190 nan 0.000 0.454 8 K N 0.171 120.548 120.400 -0.038 0.000 2.147 8 K HA -0.172 4.148 4.320 0.001 0.000 0.205 8 K C 2.127 178.696 176.600 -0.052 0.000 1.049 8 K CA 1.386 57.652 56.287 -0.035 0.000 0.936 8 K CB -0.296 32.190 32.500 -0.023 0.000 0.722 8 K HN 0.351 nan 8.250 nan 0.000 0.446 9 L N 1.802 122.979 121.223 -0.076 0.000 2.027 9 L HA -0.109 4.232 4.340 0.001 0.000 0.206 9 L C 2.010 178.793 176.870 -0.145 0.000 1.074 9 L CA 1.807 56.567 54.840 -0.132 0.000 0.745 9 L CB -0.436 41.505 42.059 -0.197 0.000 0.898 9 L HN 0.023 nan 8.230 nan 0.000 0.433 10 K N -0.291 120.040 120.400 -0.116 0.000 2.097 10 K HA -0.238 4.083 4.320 0.001 0.000 0.206 10 K C 2.116 178.672 176.600 -0.072 0.000 1.049 10 K CA 1.713 57.941 56.287 -0.100 0.000 0.933 10 K CB -0.191 32.265 32.500 -0.074 0.000 0.717 10 K HN 0.380 nan 8.250 nan 0.000 0.442 11 K N 1.567 121.933 120.400 -0.057 0.000 2.026 11 K HA -0.139 4.182 4.320 0.001 0.000 0.208 11 K C 2.038 178.617 176.600 -0.036 0.000 1.048 11 K CA 1.284 57.548 56.287 -0.039 0.000 0.929 11 K CB -0.144 32.338 32.500 -0.031 0.000 0.713 11 K HN 0.027 nan 8.250 nan 0.000 0.439 12 I N 1.399 121.944 120.570 -0.042 0.000 2.208 12 I HA -0.309 3.861 4.170 0.001 0.000 0.245 12 I C 2.266 178.364 176.117 -0.032 0.000 1.097 12 I CA 1.229 62.511 61.300 -0.030 0.000 1.363 12 I CB -0.186 37.798 38.000 -0.025 0.000 1.051 12 I HN 0.239 nan 8.210 nan 0.000 0.413 13 L N -0.207 120.980 121.223 -0.061 0.000 2.046 13 L HA -0.218 4.123 4.340 0.001 0.000 0.208 13 L C 2.695 179.551 176.870 -0.023 0.000 1.077 13 L CA 1.278 56.091 54.840 -0.046 0.000 0.747 13 L CB -0.585 41.422 42.059 -0.087 0.000 0.896 13 L HN 0.119 nan 8.230 nan 0.000 0.432 14 R N 0.172 120.655 120.500 -0.028 0.000 2.073 14 R HA -0.163 4.178 4.340 0.001 0.000 0.234 14 R C 2.250 178.543 176.300 -0.012 0.000 1.134 14 R CA 1.444 57.533 56.100 -0.019 0.000 0.952 14 R CB -0.181 30.107 30.300 -0.022 0.000 0.850 14 R HN 0.344 nan 8.270 nan 0.000 0.433 15 E N -0.322 119.870 120.200 -0.013 0.000 2.031 15 E HA -0.232 4.119 4.350 0.001 0.000 0.193 15 E C 1.684 178.282 176.600 -0.004 0.000 0.994 15 E CA 1.455 57.850 56.400 -0.008 0.000 0.800 15 E CB 0.030 29.725 29.700 -0.008 0.000 0.752 15 E HN 0.013 nan 8.360 nan 0.000 0.447 16 K N 0.346 120.745 120.400 -0.002 0.000 2.418 16 K HA 0.103 4.424 4.320 0.001 0.000 0.195 16 K C -0.084 176.519 176.600 0.004 0.000 1.035 16 K CA 0.324 56.613 56.287 0.002 0.000 1.003 16 K CB 0.354 32.858 32.500 0.007 0.000 0.793 16 K HN 0.081 nan 8.250 nan 0.000 0.494 17 A N 0.264 123.087 122.820 0.004 0.000 2.302 17 A HA 0.388 4.709 4.320 0.001 0.000 0.285 17 A C -0.527 177.059 177.584 0.003 0.000 1.105 17 A CA -0.676 51.365 52.037 0.007 0.000 0.816 17 A CB 0.809 19.814 19.000 0.008 0.000 1.067 17 A HN 0.011 nan 8.150 nan 0.000 0.489 18 V N 4.087 124.003 119.914 0.005 0.000 2.585 18 V HA 0.142 4.262 4.120 0.001 0.000 0.296 18 V C -1.420 174.676 176.094 0.003 0.000 1.035 18 V CA -0.705 61.597 62.300 0.004 0.000 1.084 18 V CB 0.271 32.097 31.823 0.005 0.000 0.953 18 V HN 0.903 nan 8.190 nan 0.000 0.483 19 P HA 0.186 nan 4.420 nan 0.000 0.269 19 P C -2.712 174.590 177.300 0.003 0.000 1.217 19 P CA -1.069 62.032 63.100 0.002 0.000 0.783 19 P CB -0.302 31.399 31.700 0.002 0.000 0.898 20 P HA 0.185 nan 4.420 nan 0.000 0.275 20 P C 0.944 178.247 177.300 0.006 0.000 1.228 20 P CA 0.570 63.672 63.100 0.004 0.000 0.786 20 P CB 0.333 32.036 31.700 0.004 0.000 0.927 21 G N 0.485 109.290 108.800 0.008 0.000 2.225 21 G HA2 -0.231 3.730 3.960 0.001 0.000 0.254 21 G HA3 -0.231 3.730 3.960 0.001 0.000 0.254 21 G C 0.393 175.298 174.900 0.009 0.000 0.988 21 G CA 0.393 45.499 45.100 0.009 0.000 0.625 21 G HN 0.894 nan 8.290 nan 0.000 0.527 22 T N -0.462 114.096 114.554 0.008 0.000 2.869 22 T HA 0.536 4.887 4.350 0.001 0.000 0.295 22 T C -0.096 174.610 174.700 0.010 0.000 0.987 22 T CA 0.355 62.460 62.100 0.008 0.000 1.109 22 T CB 1.598 70.470 68.868 0.006 0.000 0.932 22 T HN 0.305 nan 8.240 nan 0.000 0.518 23 E N 3.726 123.933 120.200 0.011 0.000 2.073 23 E HA 0.454 4.804 4.350 0.001 0.000 0.269 23 E C -1.056 175.552 176.600 0.014 0.000 0.917 23 E CA -0.727 55.681 56.400 0.014 0.000 0.757 23 E CB 1.085 30.794 29.700 0.015 0.000 1.111 23 E HN 0.550 nan 8.360 nan 0.000 0.410 24 V N 6.345 126.268 119.914 0.015 0.000 2.439 24 V HA 0.257 4.377 4.120 0.001 0.000 0.282 24 V C -1.928 174.176 176.094 0.017 0.000 1.039 24 V CA -1.781 60.527 62.300 0.014 0.000 0.913 24 V CB 1.081 32.911 31.823 0.013 0.000 0.983 24 V HN 0.735 nan 8.190 nan 0.000 0.460 25 P HA -0.009 nan 4.420 nan 0.000 0.269 25 P C 0.971 178.283 177.300 0.020 0.000 1.205 25 P CA 0.108 63.218 63.100 0.016 0.000 0.780 25 P CB 0.640 32.347 31.700 0.012 0.000 0.858 26 L N 1.709 122.946 121.223 0.024 0.000 2.044 26 L HA -0.161 4.179 4.340 0.001 0.000 0.205 26 L C 1.725 178.609 176.870 0.023 0.000 1.075 26 L CA 2.388 57.247 54.840 0.031 0.000 0.747 26 L CB -0.564 41.518 42.059 0.038 0.000 0.903 26 L HN 0.503 nan 8.230 nan 0.000 0.435 27 D N -1.172 119.238 120.400 0.016 0.000 2.269 27 D HA -0.149 4.491 4.640 0.001 0.000 0.208 27 D C 1.840 178.144 176.300 0.005 0.000 0.963 27 D CA 0.783 54.789 54.000 0.010 0.000 0.864 27 D CB 0.040 40.844 40.800 0.007 0.000 0.936 27 D HN 0.149 nan 8.370 nan 0.000 0.505 28 V N 0.316 120.234 119.914 0.006 0.000 2.379 28 V HA -0.197 3.924 4.120 0.001 0.000 0.245 28 V C 2.579 178.674 176.094 0.002 0.000 1.044 28 V CA 1.630 63.932 62.300 0.003 0.000 1.036 28 V CB -0.504 31.322 31.823 0.004 0.000 0.664 28 V HN 0.320 nan 8.190 nan 0.000 0.453 29 M N -0.537 119.068 119.600 0.009 0.000 2.077 29 M HA -0.159 4.322 4.480 0.001 0.000 0.261 29 M C 2.497 178.801 176.300 0.006 0.000 1.070 29 M CA 1.900 57.206 55.300 0.010 0.000 1.125 29 M CB -0.483 32.130 32.600 0.022 0.000 1.339 29 M HN 0.182 nan 8.290 nan 0.000 0.409 30 R N 0.314 120.819 120.500 0.009 0.000 2.113 30 R HA -0.190 4.150 4.340 0.001 0.000 0.244 30 R C 2.147 178.438 176.300 -0.015 0.000 1.142 30 R CA 1.579 57.679 56.100 -0.000 0.000 0.953 30 R CB -0.474 29.828 30.300 0.003 0.000 0.860 30 R HN 0.403 nan 8.270 nan 0.000 0.438 31 K N -0.327 120.065 120.400 -0.013 0.000 2.103 31 K HA -0.032 4.289 4.320 0.001 0.000 0.204 31 K C 2.245 178.829 176.600 -0.027 0.000 1.052 31 K CA 1.052 57.327 56.287 -0.020 0.000 0.945 31 K CB -0.166 32.325 32.500 -0.015 0.000 0.722 31 K HN 0.319 nan 8.250 nan 0.000 0.443 32 G N 1.708 110.495 108.800 -0.022 0.000 2.446 32 G HA2 -0.307 3.654 3.960 0.001 0.000 0.217 32 G HA3 -0.307 3.654 3.960 0.001 0.000 0.217 32 G C 1.443 176.315 174.900 -0.046 0.000 1.168 32 G CA 0.862 45.945 45.100 -0.028 0.000 0.771 32 G HN 0.203 nan 8.290 nan 0.000 0.551 33 M N -0.143 119.431 119.600 -0.044 0.000 2.156 33 M HA 0.015 4.495 4.480 0.001 0.000 0.264 33 M C 2.445 178.693 176.300 -0.087 0.000 1.067 33 M CA 1.233 56.496 55.300 -0.063 0.000 1.131 33 M CB -0.084 32.496 32.600 -0.034 0.000 1.368 33 M HN 0.085 nan 8.290 nan 0.000 0.416 34 E N 1.205 121.364 120.200 -0.068 0.000 2.130 34 E HA -0.261 4.089 4.350 0.001 0.000 0.196 34 E C 1.820 178.373 176.600 -0.078 0.000 0.998 34 E CA 1.896 58.254 56.400 -0.072 0.000 0.806 34 E CB -0.294 29.373 29.700 -0.054 0.000 0.738 34 E HN 0.626 nan 8.360 nan 0.000 0.459 35 K N 0.375 120.731 120.400 -0.072 0.000 2.323 35 K HA -0.020 4.301 4.320 0.001 0.000 0.197 35 K C 1.711 178.259 176.600 -0.087 0.000 1.043 35 K CA 0.847 57.095 56.287 -0.065 0.000 0.997 35 K CB 0.165 32.639 32.500 -0.043 0.000 0.807 35 K HN 0.081 nan 8.250 nan 0.000 0.497 36 V N -2.276 117.563 119.914 -0.125 0.000 3.647 36 V HA 0.468 4.588 4.120 0.001 0.000 0.279 36 V C 0.809 176.702 176.094 -0.335 0.000 1.314 36 V CA -0.389 61.795 62.300 -0.193 0.000 1.125 36 V CB -0.820 30.890 31.823 -0.189 0.000 0.907 36 V HN 0.283 nan 8.190 nan 0.000 0.434 37 A N 1.169 123.827 122.820 -0.271 0.000 2.591 37 A HA 0.267 4.588 4.320 0.001 0.000 0.244 37 A C -0.081 177.346 177.584 -0.261 0.000 1.031 37 A CA 0.195 52.056 52.037 -0.293 0.000 0.767 37 A CB -0.748 18.154 19.000 -0.162 0.000 0.942 37 A HN 0.424 nan 8.150 nan 0.000 0.514 38 F N 1.357 121.227 119.950 -0.134 0.000 2.506 38 F HA 0.245 4.772 4.527 -0.000 0.000 0.351 38 F C 1.088 176.842 175.800 -0.077 0.000 1.136 38 F CA 0.329 58.263 58.000 -0.111 0.000 1.298 38 F CB 0.715 39.617 39.000 -0.163 0.000 1.145 38 F HN 0.582 nan 8.300 nan 0.000 0.593 39 K N 2.025 122.532 120.400 0.178 0.000 2.297 39 K HA 0.542 4.862 4.320 0.001 0.000 0.286 39 K C -0.218 176.430 176.600 0.080 0.000 1.053 39 K CA -0.486 55.855 56.287 0.090 0.000 0.940 39 K CB 0.573 33.113 32.500 0.067 0.000 1.019 39 K HN 0.756 nan 8.250 nan 0.000 0.475 40 A N 3.233 126.088 122.820 0.057 0.000 2.520 40 A HA 0.324 4.644 4.320 0.001 0.000 0.235 40 A C 0.073 177.678 177.584 0.036 0.000 1.065 40 A CA 0.165 52.230 52.037 0.047 0.000 0.764 40 A CB 0.059 19.076 19.000 0.027 0.000 1.002 40 A HN 0.907 nan 8.150 nan 0.000 0.502 41 A N 1.054 123.891 122.820 0.029 0.000 2.520 41 A HA 0.230 4.551 4.320 0.001 0.000 0.235 41 A C 0.992 178.584 177.584 0.014 0.000 1.065 41 A CA 0.677 52.724 52.037 0.017 0.000 0.764 41 A CB -0.092 18.911 19.000 0.005 0.000 1.002 41 A HN 0.961 nan 8.150 nan 0.000 0.502 42 D N -0.021 120.386 120.400 0.012 0.000 2.350 42 D HA -0.120 4.521 4.640 0.001 0.000 0.216 42 D C 0.817 177.123 176.300 0.010 0.000 0.968 42 D CA 1.467 55.474 54.000 0.012 0.000 0.894 42 D CB 0.129 40.935 40.800 0.010 0.000 0.909 42 D HN 0.616 nan 8.370 nan 0.000 0.520 43 D N -0.498 119.907 120.400 0.008 0.000 2.363 43 D HA -0.023 4.618 4.640 0.001 0.000 0.214 43 D C 0.139 176.444 176.300 0.009 0.000 1.093 43 D CA -0.341 53.663 54.000 0.007 0.000 0.837 43 D CB -0.091 40.711 40.800 0.004 0.000 0.948 43 D HN 0.104 nan 8.370 nan 0.000 0.507 44 I N 2.223 122.800 120.570 0.011 0.000 2.371 44 I HA 0.219 4.389 4.170 0.001 0.000 0.290 44 I C 0.524 176.656 176.117 0.025 0.000 1.028 44 I CA -0.606 60.703 61.300 0.016 0.000 1.345 44 I CB 0.702 38.710 38.000 0.013 0.000 1.407 44 I HN 0.155 nan 8.210 nan 0.000 0.501 45 Q N 5.331 125.152 119.800 0.034 0.000 2.387 45 Q HA 0.862 5.202 4.340 0.001 0.000 0.273 45 Q C -1.803 174.236 176.000 0.066 0.000 1.089 45 Q CA -0.820 55.008 55.803 0.042 0.000 0.824 45 Q CB 2.789 31.547 28.738 0.033 0.000 1.367 45 Q HN 0.329 nan 8.270 nan 0.000 0.443 46 V N 0.826 120.782 119.914 0.070 0.000 2.925 46 V HA 0.519 4.640 4.120 0.001 0.000 0.311 46 V C -1.234 174.923 176.094 0.105 0.000 1.104 46 V CA -0.582 61.775 62.300 0.094 0.000 0.954 46 V CB 2.176 34.038 31.823 0.064 0.000 1.022 46 V HN 0.915 nan 8.190 nan 0.000 0.427 47 E N 2.477 122.768 120.200 0.152 0.000 2.274 47 E HA 0.380 4.731 4.350 0.001 0.000 0.269 47 E C -1.267 175.428 176.600 0.159 0.000 0.891 47 E CA -0.537 55.961 56.400 0.165 0.000 0.784 47 E CB 2.049 31.893 29.700 0.240 0.000 1.225 47 E HN 0.686 nan 8.360 nan 0.000 0.412 48 Q N 1.598 121.459 119.800 0.101 0.000 2.314 48 Q HA 0.393 4.734 4.340 0.001 0.000 0.258 48 Q C -0.285 175.761 176.000 0.078 0.000 0.954 48 Q CA -0.354 55.487 55.803 0.063 0.000 0.890 48 Q CB 1.526 30.284 28.738 0.033 0.000 1.210 48 Q HN 0.355 nan 8.270 nan 0.000 0.410 49 V N -1.477 118.448 119.914 0.018 0.000 3.159 49 V HA 0.755 4.875 4.120 0.001 0.000 0.308 49 V C -0.409 175.619 176.094 -0.111 0.000 1.190 49 V CA -1.100 61.200 62.300 -0.000 0.000 1.037 49 V CB 1.860 33.689 31.823 0.011 0.000 1.060 49 V HN 0.826 nan 8.190 nan 0.000 0.437 50 T N -0.241 114.241 114.554 -0.120 0.000 2.797 50 T HA 0.802 5.153 4.350 0.001 0.000 0.279 50 T C -0.801 173.678 174.700 -0.369 0.000 0.991 50 T CA -0.596 61.390 62.100 -0.190 0.000 0.979 50 T CB 1.374 70.180 68.868 -0.103 0.000 0.943 50 T HN 1.018 nan 8.240 nan 0.000 0.444 51 V N 3.294 122.916 119.914 -0.486 0.000 2.483 51 V HA 0.711 4.832 4.120 0.001 0.000 0.297 51 V C 0.766 176.609 176.094 -0.419 0.000 1.027 51 V CA -0.377 61.449 62.300 -0.790 0.000 0.855 51 V CB 0.684 31.844 31.823 -1.105 0.000 0.995 51 V HN 1.601 nan 8.190 nan 0.000 0.424 52 A N 4.029 126.661 122.820 -0.313 0.000 2.640 52 A HA 0.030 4.350 4.320 0.001 0.000 0.300 52 A C 1.811 179.331 177.584 -0.106 0.000 1.499 52 A CA 1.413 53.376 52.037 -0.123 0.000 0.759 52 A CB -1.521 17.428 19.000 -0.085 0.000 1.048 52 A HN 2.685 nan 8.150 nan 0.000 0.450 53 G N -3.282 105.456 108.800 -0.104 0.000 2.189 53 G HA2 -0.254 3.707 3.960 0.001 0.000 0.267 53 G HA3 -0.254 3.707 3.960 0.001 0.000 0.267 53 G C 0.575 175.416 174.900 -0.098 0.000 0.975 53 G CA 0.797 45.846 45.100 -0.084 0.000 0.644 53 G HN 1.836 nan 8.290 nan 0.000 0.537 54 C N 1.111 120.334 119.300 -0.128 0.000 2.366 54 C HA 0.864 5.324 4.460 0.001 0.000 0.345 54 C C 1.197 176.106 174.990 -0.135 0.000 1.209 54 C CA -0.374 58.575 59.018 -0.115 0.000 2.050 54 C CB 1.013 28.692 27.740 -0.102 0.000 2.359 54 C HN 1.137 nan 8.230 nan 0.000 0.527 55 A N 1.789 124.548 122.820 -0.103 0.000 2.498 55 A HA 0.578 4.899 4.320 0.001 0.000 0.239 55 A C 0.235 177.740 177.584 -0.132 0.000 1.068 55 A CA 0.449 52.423 52.037 -0.104 0.000 0.766 55 A CB -0.021 18.936 19.000 -0.072 0.000 1.003 55 A HN 1.537 nan 8.150 nan 0.000 0.497 56 A N 2.172 124.898 122.820 -0.157 0.000 2.594 56 A HA 0.752 5.073 4.320 0.001 0.000 0.291 56 A C -0.686 176.814 177.584 -0.140 0.000 1.105 56 A CA -0.642 51.286 52.037 -0.182 0.000 0.694 56 A CB 1.147 19.951 19.000 -0.327 0.000 1.291 56 A HN 0.807 nan 8.150 nan 0.000 0.410 57 E N -0.249 119.880 120.200 -0.119 0.000 2.238 57 E HA 0.356 4.707 4.350 0.001 0.000 0.267 57 E C -1.659 174.903 176.600 -0.063 0.000 0.887 57 E CA -0.285 56.090 56.400 -0.042 0.000 0.769 57 E CB 1.755 31.467 29.700 0.019 0.000 1.187 57 E HN 0.603 nan 8.360 nan 0.000 0.416 58 W N 2.237 123.561 121.300 0.041 0.000 2.356 58 W HA 0.265 4.925 4.660 0.001 0.000 0.311 58 W C -0.532 176.009 176.519 0.038 0.000 1.328 58 W CA -0.486 56.892 57.345 0.056 0.000 1.251 58 W CB 0.780 30.290 29.460 0.082 0.000 1.280 58 W HN 0.163 nan 8.180 nan 0.000 0.524 59 V N 6.024 126.119 119.914 0.301 0.000 2.311 59 V HA 0.397 4.517 4.120 0.001 0.000 0.275 59 V C 0.042 176.233 176.094 0.162 0.000 1.022 59 V CA -1.015 61.385 62.300 0.167 0.000 0.830 59 V CB 0.731 32.600 31.823 0.077 0.000 1.012 59 V HN 0.435 nan 8.190 nan 0.000 0.452 60 R N 3.372 123.943 120.500 0.119 0.000 2.337 60 R HA 0.732 5.073 4.340 0.001 0.000 0.319 60 R C 0.036 176.364 176.300 0.046 0.000 0.954 60 R CA -0.312 55.837 56.100 0.081 0.000 0.840 60 R CB 2.073 32.405 30.300 0.054 0.000 1.164 60 R HN 0.792 nan 8.270 nan 0.000 0.472 61 A N 4.827 127.669 122.820 0.037 0.000 2.259 61 A HA 0.538 4.859 4.320 0.001 0.000 0.278 61 A C -2.036 175.558 177.584 0.016 0.000 1.107 61 A CA -1.310 50.739 52.037 0.019 0.000 0.828 61 A CB -0.130 18.878 19.000 0.012 0.000 1.111 61 A HN 0.437 nan 8.150 nan 0.000 0.498 62 P HA 0.308 nan 4.420 nan 0.000 0.272 62 P C 0.667 177.973 177.300 0.011 0.000 1.230 62 P CA 1.235 64.339 63.100 0.007 0.000 0.788 62 P CB 0.660 32.362 31.700 0.004 0.000 0.949 63 G N -0.271 108.534 108.800 0.007 0.000 2.157 63 G HA2 -0.224 3.737 3.960 0.001 0.000 0.248 63 G HA3 -0.224 3.737 3.960 0.001 0.000 0.248 63 G C 0.116 175.023 174.900 0.011 0.000 0.979 63 G CA -0.190 44.917 45.100 0.011 0.000 0.650 63 G HN 0.701 nan 8.290 nan 0.000 0.529 64 C N 1.476 120.779 119.300 0.004 0.000 2.648 64 C HA 0.484 4.945 4.460 0.001 0.000 0.415 64 C C 1.024 175.998 174.990 -0.027 0.000 1.366 64 C CA -0.153 58.866 59.018 0.001 0.000 1.756 64 C CB 0.626 28.366 27.740 0.000 0.000 2.549 64 C HN 0.601 nan 8.230 nan 0.000 0.597 65 Q N 2.826 122.604 119.800 -0.037 0.000 2.286 65 Q HA 0.438 4.779 4.340 0.001 0.000 0.267 65 Q C 0.153 176.083 176.000 -0.116 0.000 1.028 65 Q CA 0.088 55.841 55.803 -0.082 0.000 0.901 65 Q CB 0.733 29.409 28.738 -0.104 0.000 1.183 65 Q HN 0.842 nan 8.270 nan 0.000 0.392 66 A N 3.408 126.157 122.820 -0.117 0.000 2.584 66 A HA 0.386 4.707 4.320 0.001 0.000 0.239 66 A C 1.295 178.769 177.584 -0.184 0.000 1.043 66 A CA 0.922 52.878 52.037 -0.134 0.000 0.756 66 A CB -0.762 18.160 19.000 -0.129 0.000 0.963 66 A HN 1.511 nan 8.150 nan 0.000 0.511 67 G N 1.750 110.469 108.800 -0.134 0.000 2.213 67 G HA2 -0.192 3.768 3.960 0.001 0.000 0.236 67 G HA3 -0.192 3.768 3.960 0.001 0.000 0.236 67 G C 0.281 175.152 174.900 -0.049 0.000 0.991 67 G CA 0.482 45.490 45.100 -0.154 0.000 0.629 67 G HN 0.774 nan 8.290 nan 0.000 0.517 68 K N 0.849 121.155 120.400 -0.156 0.000 2.110 68 K HA 0.861 5.181 4.320 0.001 0.000 0.263 68 K C 0.165 176.720 176.600 -0.074 0.000 0.975 68 K CA 0.333 56.445 56.287 -0.291 0.000 0.895 68 K CB 1.856 33.953 32.500 -0.672 0.000 1.060 68 K HN 1.040 nan 8.250 nan 0.000 0.448 69 A N 2.439 125.229 122.820 -0.049 0.000 2.587 69 A HA 0.730 5.051 4.320 0.001 0.000 0.293 69 A C -1.139 176.609 177.584 0.272 0.000 1.087 69 A CA -0.769 51.297 52.037 0.049 0.000 0.692 69 A CB 1.011 19.808 19.000 -0.337 0.000 1.291 69 A HN 0.595 nan 8.150 nan 0.000 0.407 70 I N 1.323 122.071 120.570 0.296 0.000 2.406 70 I HA 0.332 4.503 4.170 0.001 0.000 0.290 70 I C -0.693 175.536 176.117 0.187 0.000 0.999 70 I CA -0.750 60.723 61.300 0.288 0.000 1.124 70 I CB 1.852 40.029 38.000 0.294 0.000 1.289 70 I HN 0.591 nan 8.210 nan 0.000 0.441 71 L N 8.069 129.382 121.223 0.150 0.000 2.315 71 L HA 0.285 4.625 4.340 0.001 0.000 0.283 71 L C -1.210 175.702 176.870 0.070 0.000 1.089 71 L CA 0.294 55.184 54.840 0.082 0.000 0.833 71 L CB -0.058 42.054 42.059 0.088 0.000 1.170 71 L HN 0.431 nan 8.230 nan 0.000 0.442 72 Y N 5.386 125.675 120.300 -0.017 0.000 2.360 72 Y HA 0.660 5.210 4.550 0.001 0.000 0.337 72 Y C -0.997 174.891 175.900 -0.020 0.000 1.039 72 Y CA -0.630 57.462 58.100 -0.014 0.000 1.109 72 Y CB 1.341 39.808 38.460 0.012 0.000 1.201 72 Y HN 0.551 nan 8.280 nan 0.000 0.458 73 L N 6.997 127.844 121.223 -0.626 0.000 2.372 73 L HA 0.317 4.658 4.340 0.001 0.000 0.273 73 L C -0.750 175.874 176.870 -0.411 0.000 0.989 73 L CA -0.991 53.635 54.840 -0.357 0.000 0.841 73 L CB 1.025 42.815 42.059 -0.448 0.000 1.225 73 L HN 0.764 nan 8.230 nan 0.000 0.414 74 H N 1.047 120.082 119.070 -0.057 0.000 2.603 74 H HA 0.669 5.225 4.556 0.001 0.000 0.370 74 H C 0.391 175.550 175.328 -0.283 0.000 1.225 74 H CA -0.231 55.626 56.048 -0.319 0.000 1.410 74 H CB 0.753 30.114 29.762 -0.667 0.000 1.495 74 H HN 0.507 nan 8.280 nan 0.000 0.602 75 G N -1.709 106.991 108.800 -0.167 0.000 2.537 75 G HA2 0.457 4.418 3.960 0.001 0.000 0.297 75 G HA3 0.457 4.418 3.960 0.001 0.000 0.297 75 G C 0.410 175.405 174.900 0.158 0.000 1.310 75 G CA -0.940 44.172 45.100 0.021 0.000 1.027 75 G HN 1.527 nan 8.290 nan 0.000 0.505 76 G N -2.795 106.084 108.800 0.131 0.000 2.165 76 G HA2 0.382 4.343 3.960 0.001 0.000 0.144 76 G HA3 0.382 4.343 3.960 0.001 0.000 0.144 76 G C 1.103 176.074 174.900 0.119 0.000 1.049 76 G CA 0.728 45.909 45.100 0.136 0.000 0.741 76 G HN 2.393 nan 8.290 nan 0.000 0.493 77 G N -0.535 108.341 108.800 0.126 0.000 2.166 77 G HA2 -0.215 3.746 3.960 0.001 0.000 0.260 77 G HA3 -0.215 3.746 3.960 0.001 0.000 0.260 77 G C 0.845 175.999 174.900 0.422 0.000 0.986 77 G CA 1.224 46.497 45.100 0.289 0.000 0.683 77 G HN 1.958 nan 8.290 nan 0.000 0.527 78 Y N -3.717 116.663 120.300 0.133 0.000 4.753 78 Y HA -0.356 4.194 4.550 0.001 0.000 0.232 78 Y C 2.095 178.060 175.900 0.107 0.000 1.029 78 Y CA 2.179 60.270 58.100 -0.014 0.000 1.996 78 Y CB -1.801 36.327 38.460 -0.553 0.000 1.602 78 Y HN 1.272 nan 8.280 nan 0.000 0.621 79 V N -3.420 116.645 119.914 0.252 0.000 3.451 79 V HA 0.417 4.537 4.120 0.001 0.000 0.288 79 V C 0.489 176.663 176.094 0.132 0.000 1.502 79 V CA 0.727 63.148 62.300 0.202 0.000 1.026 79 V CB 0.556 32.496 31.823 0.195 0.000 0.840 79 V HN 0.315 nan 8.190 nan 0.000 0.437 80 M N -0.569 119.103 119.600 0.120 0.000 3.557 80 M HA 0.915 5.395 4.480 0.001 0.000 0.301 80 M C 0.141 176.487 176.300 0.076 0.000 1.451 80 M CA -0.124 55.221 55.300 0.074 0.000 0.816 80 M CB 1.356 33.991 32.600 0.059 0.000 1.848 80 M HN 0.994 nan 8.290 nan 0.000 0.456 81 G N 0.788 109.580 108.800 -0.014 0.000 2.690 81 G HA2 0.302 4.263 3.960 0.001 0.000 0.686 81 G HA3 0.302 4.263 3.960 0.001 0.000 0.686 81 G C -0.752 173.859 174.900 -0.482 0.000 1.277 81 G CA -0.113 44.897 45.100 -0.150 0.000 0.799 81 G HN 2.071 nan 8.290 nan 0.000 0.613 82 S N -0.711 114.579 115.700 -0.683 0.000 2.703 82 S HA 0.684 5.155 4.470 0.001 0.000 0.273 82 S C 1.293 175.612 174.600 -0.468 0.000 1.178 82 S CA -0.170 57.663 58.200 -0.611 0.000 0.838 82 S CB 0.707 63.750 63.200 -0.261 0.000 1.178 82 S HN 1.239 nan 8.310 nan 0.000 0.494 83 I N 1.252 121.673 120.570 -0.249 0.000 2.151 83 I HA -0.234 3.937 4.170 0.001 0.000 0.243 83 I C 2.659 178.733 176.117 -0.071 0.000 1.080 83 I CA 2.373 63.609 61.300 -0.106 0.000 1.339 83 I CB -0.875 37.084 38.000 -0.069 0.000 1.039 83 I HN 0.814 nan 8.210 nan 0.000 0.409 84 N N 0.793 119.443 118.700 -0.083 0.000 2.120 84 N HA -0.195 4.545 4.740 0.001 0.000 0.188 84 N C 1.819 177.296 175.510 -0.055 0.000 1.024 84 N CA 2.357 55.373 53.050 -0.058 0.000 0.852 84 N CB -0.166 38.286 38.487 -0.058 0.000 1.003 84 N HN 0.457 nan 8.380 nan 0.000 0.424 85 T N -3.701 110.817 114.554 -0.059 0.000 2.962 85 T HA -0.074 4.277 4.350 0.001 0.000 0.270 85 T C 1.088 175.741 174.700 -0.078 0.000 1.088 85 T CA 1.274 63.342 62.100 -0.053 0.000 1.127 85 T CB -0.405 68.468 68.868 0.009 0.000 0.883 85 T HN 0.295 nan 8.240 nan 0.000 0.493 86 H N -0.442 118.553 119.070 -0.124 0.000 2.652 86 H HA 0.464 5.021 4.556 0.001 0.000 0.274 86 H C 2.154 177.425 175.328 -0.095 0.000 1.021 86 H CA -0.281 55.716 56.048 -0.086 0.000 1.187 86 H CB 0.072 29.822 29.762 -0.019 0.000 1.505 86 H HN 0.245 nan 8.280 nan 0.000 0.530 87 R N 0.075 120.578 120.500 0.006 0.000 2.103 87 R HA -0.185 4.155 4.340 0.001 0.000 0.242 87 R C 2.209 178.497 176.300 -0.020 0.000 1.142 87 R CA 1.672 57.765 56.100 -0.011 0.000 0.960 87 R CB -0.074 30.226 30.300 -0.001 0.000 0.858 87 R HN 0.224 nan 8.270 nan 0.000 0.439 88 S N 0.162 115.865 115.700 0.005 0.000 2.343 88 S HA -0.208 4.263 4.470 0.001 0.000 0.219 88 S C 1.977 176.620 174.600 0.072 0.000 1.033 88 S CA 1.598 59.838 58.200 0.067 0.000 1.014 88 S CB -0.222 63.063 63.200 0.142 0.000 0.915 88 S HN 0.484 nan 8.310 nan 0.000 0.435 89 M N 0.907 120.535 119.600 0.048 0.000 2.159 89 M HA -0.067 4.413 4.480 0.001 0.000 0.263 89 M C 1.814 177.994 176.300 -0.199 0.000 1.063 89 M CA 1.559 56.835 55.300 -0.041 0.000 1.110 89 M CB -0.214 32.339 32.600 -0.080 0.000 1.374 89 M HN 0.305 nan 8.290 nan 0.000 0.411 90 V N 0.329 120.087 119.914 -0.260 0.000 2.515 90 V HA -0.150 3.971 4.120 0.001 0.000 0.250 90 V C 2.597 178.589 176.094 -0.170 0.000 1.058 90 V CA 1.830 63.918 62.300 -0.353 0.000 1.064 90 V CB -1.682 29.890 31.823 -0.419 0.000 0.675 90 V HN 0.717 nan 8.190 nan 0.000 0.461 91 G N 0.005 108.739 108.800 -0.111 0.000 2.459 91 G HA2 -0.236 3.725 3.960 0.001 0.000 0.217 91 G HA3 -0.236 3.725 3.960 0.001 0.000 0.217 91 G C 1.456 176.295 174.900 -0.102 0.000 1.183 91 G CA 0.767 45.826 45.100 -0.068 0.000 0.776 91 G HN 0.478 nan 8.290 nan 0.000 0.552 92 E N 0.456 120.545 120.200 -0.185 0.000 2.110 92 E HA -0.053 4.297 4.350 0.001 0.000 0.193 92 E C 2.571 179.084 176.600 -0.145 0.000 0.988 92 E CA 0.438 56.693 56.400 -0.240 0.000 0.804 92 E CB -0.243 29.132 29.700 -0.542 0.000 0.745 92 E HN 0.538 nan 8.360 nan 0.000 0.458 93 I N 0.720 121.212 120.570 -0.130 0.000 2.315 93 I HA -0.231 3.939 4.170 0.001 0.000 0.248 93 I C 2.582 178.698 176.117 -0.001 0.000 1.117 93 I CA 0.899 62.163 61.300 -0.059 0.000 1.404 93 I CB -0.196 37.756 38.000 -0.080 0.000 1.071 93 I HN 0.033 nan 8.210 nan 0.000 0.419 94 S N 0.652 116.350 115.700 -0.003 0.000 2.382 94 S HA -0.218 4.253 4.470 0.001 0.000 0.228 94 S C 2.240 176.871 174.600 0.050 0.000 1.027 94 S CA 1.298 59.531 58.200 0.054 0.000 0.991 94 S CB -0.215 63.018 63.200 0.055 0.000 0.823 94 S HN 0.322 nan 8.310 nan 0.000 0.469 95 R N 0.404 120.908 120.500 0.008 0.000 2.070 95 R HA -0.029 4.311 4.340 0.001 0.000 0.232 95 R C 2.464 178.779 176.300 0.026 0.000 1.138 95 R CA 1.466 57.569 56.100 0.005 0.000 0.936 95 R CB -0.778 29.504 30.300 -0.031 0.000 0.839 95 R HN 0.463 nan 8.270 nan 0.000 0.429 96 A N 0.290 123.122 122.820 0.019 0.000 1.933 96 A HA -0.151 4.169 4.320 0.001 0.000 0.218 96 A C 2.096 179.729 177.584 0.080 0.000 1.175 96 A CA 1.959 54.021 52.037 0.042 0.000 0.628 96 A CB -0.469 18.550 19.000 0.033 0.000 0.814 96 A HN 0.601 nan 8.150 nan 0.000 0.444 97 S N -2.083 113.679 115.700 0.103 0.000 2.528 97 S HA 0.040 4.511 4.470 0.001 0.000 0.219 97 S C 0.819 175.561 174.600 0.236 0.000 0.985 97 S CA 0.802 59.107 58.200 0.175 0.000 0.914 97 S CB -0.262 63.062 63.200 0.206 0.000 0.776 97 S HN 0.577 nan 8.310 nan 0.000 0.526 98 Q N -0.196 119.697 119.800 0.154 0.000 2.480 98 Q HA -0.191 4.150 4.340 0.001 0.000 0.265 98 Q C -0.027 176.050 176.000 0.129 0.000 1.072 98 Q CA 0.640 56.514 55.803 0.119 0.000 1.018 98 Q CB -2.085 26.718 28.738 0.109 0.000 1.433 98 Q HN 0.840 nan 8.270 nan 0.000 0.513 99 A N -0.416 122.515 122.820 0.185 0.000 2.386 99 A HA 0.857 5.177 4.320 0.001 0.000 0.311 99 A C -0.130 177.551 177.584 0.162 0.000 1.068 99 A CA 0.020 52.154 52.037 0.161 0.000 0.743 99 A CB 1.406 20.586 19.000 0.300 0.000 1.258 99 A HN 0.442 nan 8.150 nan 0.000 0.429 100 A N 0.760 123.657 122.820 0.128 0.000 2.466 100 A HA 0.590 4.910 4.320 0.001 0.000 0.238 100 A C 0.558 178.340 177.584 0.332 0.000 1.074 100 A CA 0.496 52.652 52.037 0.199 0.000 0.774 100 A CB 0.035 19.108 19.000 0.123 0.000 1.015 100 A HN 2.297 nan 8.150 nan 0.000 0.498 101 A N 1.878 124.904 122.820 0.343 0.000 2.342 101 A HA 0.614 4.935 4.320 0.001 0.000 0.323 101 A C -0.473 177.229 177.584 0.198 0.000 1.125 101 A CA -0.503 51.691 52.037 0.261 0.000 0.785 101 A CB 0.836 19.925 19.000 0.149 0.000 1.221 101 A HN 0.951 nan 8.150 nan 0.000 0.463 102 L N 3.650 124.844 121.223 -0.049 0.000 2.255 102 L HA 0.373 4.713 4.340 0.001 0.000 0.289 102 L C -1.180 175.614 176.870 -0.127 0.000 1.046 102 L CA -0.663 53.933 54.840 -0.405 0.000 0.816 102 L CB 0.951 42.599 42.059 -0.684 0.000 1.197 102 L HN 0.739 nan 8.230 nan 0.000 0.427 103 L N 6.835 128.006 121.223 -0.086 0.000 2.259 103 L HA 0.335 4.675 4.340 0.001 0.000 0.288 103 L C -0.688 176.172 176.870 -0.017 0.000 1.051 103 L CA 0.051 54.913 54.840 0.037 0.000 0.824 103 L CB 1.034 43.121 42.059 0.047 0.000 1.206 103 L HN 0.494 nan 8.230 nan 0.000 0.429 104 L N 4.375 125.616 121.223 0.029 0.000 2.281 104 L HA 0.216 4.556 4.340 0.001 0.000 0.285 104 L C -0.217 176.700 176.870 0.079 0.000 1.074 104 L CA -0.248 54.598 54.840 0.010 0.000 0.817 104 L CB 1.092 43.178 42.059 0.044 0.000 1.168 104 L HN 0.669 nan 8.230 nan 0.000 0.434 105 D N 4.849 125.240 120.400 -0.015 0.000 2.545 105 D HA 0.060 4.701 4.640 0.001 0.000 0.227 105 D C -0.208 176.056 176.300 -0.060 0.000 1.150 105 D CA -0.177 53.791 54.000 -0.054 0.000 1.046 105 D CB -0.285 40.466 40.800 -0.081 0.000 1.098 105 D HN 0.276 nan 8.370 nan 0.000 0.502 106 Y N -0.069 120.240 120.300 0.016 0.000 2.357 106 Y HA 0.357 4.907 4.550 0.001 0.000 0.340 106 Y C 0.697 176.605 175.900 0.015 0.000 1.260 106 Y CA -1.193 56.889 58.100 -0.029 0.000 1.425 106 Y CB 0.444 38.860 38.460 -0.073 0.000 1.326 106 Y HN -0.072 nan 8.280 nan 0.000 0.580 107 R N 2.545 123.145 120.500 0.166 0.000 2.537 107 R HA 0.175 4.515 4.340 0.001 0.000 0.281 107 R C -0.825 175.645 176.300 0.284 0.000 0.988 107 R CA 0.151 56.319 56.100 0.113 0.000 1.077 107 R CB 0.001 30.244 30.300 -0.095 0.000 0.932 107 R HN 0.688 nan 8.270 nan 0.000 0.409 108 L N 2.491 123.875 121.223 0.269 0.000 2.325 108 L HA 0.493 4.833 4.340 0.001 0.000 0.278 108 L C 0.461 177.510 176.870 0.298 0.000 1.023 108 L CA -0.905 54.097 54.840 0.270 0.000 0.811 108 L CB 1.780 43.925 42.059 0.143 0.000 1.249 108 L HN 0.676 nan 8.230 nan 0.000 0.431 109 A N 3.817 126.827 122.820 0.316 0.000 2.313 109 A HA 0.467 4.787 4.320 0.001 0.000 0.261 109 A C -1.757 175.929 177.584 0.170 0.000 1.090 109 A CA -1.110 51.083 52.037 0.260 0.000 0.807 109 A CB -0.042 19.181 19.000 0.371 0.000 1.055 109 A HN 0.626 nan 8.150 nan 0.000 0.492 110 P HA 0.022 nan 4.420 nan 0.000 0.245 110 P C 0.333 177.635 177.300 0.002 0.000 1.212 110 P CA 0.690 63.838 63.100 0.080 0.000 0.774 110 P CB 0.279 32.014 31.700 0.058 0.000 0.999 111 E N -0.577 119.581 120.200 -0.071 0.000 2.150 111 E HA -0.106 4.245 4.350 0.001 0.000 0.193 111 E C 0.495 176.811 176.600 -0.473 0.000 0.985 111 E CA 1.092 57.313 56.400 -0.298 0.000 0.814 111 E CB -0.406 29.046 29.700 -0.413 0.000 0.752 111 E HN 0.491 nan 8.360 nan 0.000 0.466 112 H N -0.097 119.024 119.070 0.085 0.000 2.791 112 H HA 0.265 4.822 4.556 0.001 0.000 0.272 112 H C -2.379 173.020 175.328 0.118 0.000 1.188 112 H CA -2.270 53.826 56.048 0.081 0.000 1.436 112 H CB 0.792 30.606 29.762 0.087 0.000 1.467 112 H HN 0.075 nan 8.280 nan 0.000 0.500 113 P HA 0.050 nan 4.420 nan 0.000 0.277 113 P C 0.386 177.671 177.300 -0.025 0.000 1.271 113 P CA -0.718 62.444 63.100 0.103 0.000 0.795 113 P CB 0.926 32.639 31.700 0.023 0.000 1.101 114 F N 2.317 121.902 119.950 -0.610 0.000 2.637 114 F HA -0.014 4.514 4.527 0.001 0.000 0.372 114 F C -1.367 174.205 175.800 -0.380 0.000 1.107 114 F CA -0.790 56.699 58.000 -0.851 0.000 1.325 114 F CB -0.297 37.789 39.000 -1.522 0.000 1.016 114 F HN 0.248 nan 8.300 nan 0.000 0.593 115 P HA 0.147 nan 4.420 nan 0.000 0.256 115 P C 0.649 177.763 177.300 -0.310 0.000 1.384 115 P CA 0.828 63.292 63.100 -1.060 0.000 0.879 115 P CB -0.033 31.035 31.700 -1.053 0.000 1.403 116 A N 1.706 124.449 122.820 -0.129 0.000 1.873 116 A HA -0.164 4.157 4.320 0.001 0.000 0.218 116 A C 2.418 180.040 177.584 0.064 0.000 1.193 116 A CA 2.292 54.326 52.037 -0.005 0.000 0.629 116 A CB -1.487 17.561 19.000 0.081 0.000 0.826 116 A HN 0.263 nan 8.150 nan 0.000 0.447 117 A N -0.719 122.227 122.820 0.210 0.000 1.948 117 A HA -0.056 4.264 4.320 0.001 0.000 0.220 117 A C 2.221 179.783 177.584 -0.038 0.000 1.177 117 A CA 2.069 54.188 52.037 0.137 0.000 0.636 117 A CB -0.957 18.142 19.000 0.164 0.000 0.815 117 A HN 0.518 nan 8.150 nan 0.000 0.449 118 V N -0.265 119.650 119.914 0.001 0.000 2.379 118 V HA -0.229 3.892 4.120 0.001 0.000 0.245 118 V C 2.307 178.346 176.094 -0.092 0.000 1.044 118 V CA 2.071 64.331 62.300 -0.066 0.000 1.036 118 V CB -0.889 30.908 31.823 -0.042 0.000 0.664 118 V HN 0.621 nan 8.190 nan 0.000 0.453 119 E N 0.169 120.322 120.200 -0.079 0.000 2.110 119 E HA -0.220 4.130 4.350 0.001 0.000 0.193 119 E C 1.956 178.531 176.600 -0.041 0.000 0.988 119 E CA 1.464 57.825 56.400 -0.064 0.000 0.804 119 E CB -0.156 29.503 29.700 -0.068 0.000 0.745 119 E HN 0.594 nan 8.360 nan 0.000 0.458 120 D N -0.091 120.289 120.400 -0.033 0.000 2.097 120 D HA -0.096 4.544 4.640 0.001 0.000 0.197 120 D C 1.986 178.270 176.300 -0.026 0.000 0.984 120 D CA 1.284 55.274 54.000 -0.018 0.000 0.826 120 D CB -0.672 40.146 40.800 0.030 0.000 0.973 120 D HN 0.247 nan 8.370 nan 0.000 0.460 121 G N 0.704 109.462 108.800 -0.070 0.000 2.446 121 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 121 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 121 G C 1.850 176.741 174.900 -0.014 0.000 1.168 121 G CA 0.866 45.915 45.100 -0.086 0.000 0.771 121 G HN 0.242 nan 8.290 nan 0.000 0.551 122 V N 1.413 121.314 119.914 -0.021 0.000 2.427 122 V HA -0.084 4.036 4.120 0.001 0.000 0.248 122 V C 3.287 179.442 176.094 0.101 0.000 1.051 122 V CA 1.945 64.269 62.300 0.040 0.000 1.048 122 V CB -0.668 31.147 31.823 -0.013 0.000 0.666 122 V HN 0.484 nan 8.190 nan 0.000 0.456 123 A N -0.077 122.777 122.820 0.056 0.000 1.930 123 A HA -0.041 4.280 4.320 0.001 0.000 0.217 123 A C 2.415 180.076 177.584 0.128 0.000 1.175 123 A CA 1.810 53.893 52.037 0.076 0.000 0.627 123 A CB -0.662 18.357 19.000 0.032 0.000 0.815 123 A HN 0.545 nan 8.150 nan 0.000 0.443 124 A N -1.418 121.457 122.820 0.092 0.000 1.902 124 A HA -0.121 4.200 4.320 0.001 0.000 0.217 124 A C 2.136 179.880 177.584 0.267 0.000 1.181 124 A CA 1.677 53.785 52.037 0.119 0.000 0.623 124 A CB -0.779 18.223 19.000 0.004 0.000 0.818 124 A HN 0.721 nan 8.150 nan 0.000 0.443 125 Y N 0.178 120.536 120.300 0.096 0.000 2.242 125 Y HA -0.132 4.419 4.550 0.001 0.000 0.291 125 Y C 2.468 178.454 175.900 0.143 0.000 1.137 125 Y CA 1.864 60.026 58.100 0.104 0.000 1.181 125 Y CB -0.368 38.119 38.460 0.045 0.000 0.989 125 Y HN 0.276 nan 8.280 nan 0.000 0.527 126 R N -0.983 119.585 120.500 0.114 0.000 2.081 126 R HA -0.246 4.094 4.340 0.001 0.000 0.235 126 R C 2.180 178.518 176.300 0.063 0.000 1.131 126 R CA 1.953 58.070 56.100 0.028 0.000 0.960 126 R CB -0.916 29.440 30.300 0.093 0.000 0.856 126 R HN 0.595 nan 8.270 nan 0.000 0.436 127 W N 1.072 122.363 121.300 -0.015 0.000 2.381 127 W HA -0.147 4.514 4.660 0.001 0.000 0.301 127 W C 1.531 178.094 176.519 0.072 0.000 1.205 127 W CA 1.187 58.547 57.345 0.024 0.000 1.285 127 W CB -0.294 29.182 29.460 0.027 0.000 1.133 127 W HN 0.031 nan 8.180 nan 0.000 0.521 128 L N 0.308 121.685 121.223 0.256 0.000 2.013 128 L HA -0.298 4.043 4.340 0.001 0.000 0.212 128 L C 2.507 179.401 176.870 0.040 0.000 1.073 128 L CA 1.729 56.654 54.840 0.141 0.000 0.753 128 L CB -1.135 41.020 42.059 0.160 0.000 0.890 128 L HN 0.083 nan 8.230 nan 0.000 0.432 129 L N -0.695 120.456 121.223 -0.121 0.000 2.083 129 L HA -0.220 4.121 4.340 0.001 0.000 0.209 129 L C 2.112 178.898 176.870 -0.140 0.000 1.083 129 L CA 1.000 55.756 54.840 -0.140 0.000 0.752 129 L CB -0.676 41.247 42.059 -0.227 0.000 0.899 129 L HN 0.300 nan 8.230 nan 0.000 0.433 130 D N -0.519 119.774 120.400 -0.178 0.000 2.269 130 D HA -0.136 4.505 4.640 0.001 0.000 0.208 130 D C 2.215 178.345 176.300 -0.284 0.000 0.963 130 D CA 0.690 54.571 54.000 -0.199 0.000 0.864 130 D CB -0.081 40.626 40.800 -0.156 0.000 0.936 130 D HN 0.315 nan 8.370 nan 0.000 0.505 131 Q N -0.262 119.292 119.800 -0.410 0.000 2.291 131 Q HA 0.026 4.367 4.340 0.001 0.000 0.205 131 Q C 1.737 177.511 176.000 -0.377 0.000 0.970 131 Q CA 1.183 56.733 55.803 -0.422 0.000 0.876 131 Q CB 0.044 28.521 28.738 -0.435 0.000 0.935 131 Q HN 0.462 nan 8.270 nan 0.000 0.455 132 G N -1.086 107.532 108.800 -0.303 0.000 2.336 132 G HA2 -0.201 3.760 3.960 0.001 0.000 0.194 132 G HA3 -0.201 3.760 3.960 0.001 0.000 0.194 132 G C -0.172 174.544 174.900 -0.307 0.000 0.999 132 G CA -0.449 44.457 45.100 -0.324 0.000 0.669 132 G HN 0.226 nan 8.290 nan 0.000 0.482 133 F N 3.213 123.117 119.950 -0.078 0.000 2.578 133 F HA 0.394 4.922 4.527 0.001 0.000 0.381 133 F C 1.229 177.024 175.800 -0.008 0.000 1.069 133 F CA 0.013 58.006 58.000 -0.011 0.000 1.231 133 F CB 0.657 39.680 39.000 0.037 0.000 1.086 133 F HN -0.206 nan 8.300 nan 0.000 0.564 134 K N 5.513 126.024 120.400 0.186 0.000 2.218 134 K HA 0.151 4.472 4.320 0.001 0.000 0.276 134 K C -1.739 174.887 176.600 0.043 0.000 1.022 134 K CA -1.519 54.798 56.287 0.049 0.000 0.946 134 K CB 1.015 33.485 32.500 -0.049 0.000 1.000 134 K HN 0.204 nan 8.250 nan 0.000 0.468 135 P HA -0.231 nan 4.420 nan 0.000 0.216 135 P C 1.157 178.531 177.300 0.123 0.000 1.150 135 P CA 1.393 64.563 63.100 0.116 0.000 0.843 135 P CB 0.254 32.008 31.700 0.091 0.000 0.787 136 Q N -0.950 118.831 119.800 -0.033 0.000 2.472 136 Q HA -0.145 4.196 4.340 0.001 0.000 0.208 136 Q C 0.685 176.669 176.000 -0.027 0.000 0.958 136 Q CA 1.488 57.266 55.803 -0.042 0.000 0.932 136 Q CB -1.162 27.479 28.738 -0.161 0.000 1.007 136 Q HN 0.489 nan 8.270 nan 0.000 0.508 137 H N -0.245 118.890 119.070 0.108 0.000 2.549 137 H HA 0.401 4.958 4.556 0.001 0.000 0.279 137 H C -0.038 175.333 175.328 0.073 0.000 1.018 137 H CA -0.500 55.467 56.048 -0.136 0.000 1.175 137 H CB 0.601 30.260 29.762 -0.173 0.000 1.485 137 H HN 0.031 nan 8.280 nan 0.000 0.543 138 L N 0.039 121.560 121.223 0.498 0.000 2.352 138 L HA 0.480 4.820 4.340 0.001 0.000 0.269 138 L C 0.153 177.420 176.870 0.663 0.000 1.034 138 L CA -0.659 54.517 54.840 0.560 0.000 0.806 138 L CB 1.930 44.254 42.059 0.442 0.000 1.244 138 L HN 0.012 nan 8.230 nan 0.000 0.447 139 S N 1.163 117.165 115.700 0.503 0.000 2.579 139 S HA 0.729 5.200 4.470 0.001 0.000 0.272 139 S C -1.237 173.455 174.600 0.154 0.000 1.141 139 S CA -0.534 57.804 58.200 0.230 0.000 0.843 139 S CB 1.400 64.629 63.200 0.049 0.000 1.122 139 S HN 0.414 nan 8.310 nan 0.000 0.468 140 I N 2.358 122.948 120.570 0.033 0.000 2.533 140 I HA 0.554 4.724 4.170 0.001 0.000 0.290 140 I C -0.367 175.701 176.117 -0.080 0.000 1.056 140 I CA -0.456 60.825 61.300 -0.032 0.000 1.057 140 I CB 2.059 39.988 38.000 -0.118 0.000 1.240 140 I HN 0.543 nan 8.210 nan 0.000 0.423 141 S N 3.529 119.153 115.700 -0.126 0.000 2.618 141 S HA 0.972 5.443 4.470 0.001 0.000 0.277 141 S C -0.902 173.331 174.600 -0.612 0.000 1.138 141 S CA -0.425 57.655 58.200 -0.200 0.000 0.844 141 S CB 2.337 65.555 63.200 0.030 0.000 1.127 141 S HN 0.964 nan 8.310 nan 0.000 0.474 142 G N 1.892 110.323 108.800 -0.614 0.000 2.633 142 G HA2 0.451 4.412 3.960 0.001 0.000 0.299 142 G HA3 0.451 4.412 3.960 0.001 0.000 0.299 142 G C -2.239 172.441 174.900 -0.367 0.000 1.501 142 G CA -0.675 43.964 45.100 -0.768 0.000 0.887 142 G HN 0.759 nan 8.290 nan 0.000 0.561 143 D N 0.439 120.709 120.400 -0.216 0.000 2.228 143 D HA 0.706 5.346 4.640 0.001 0.000 0.247 143 D C 0.842 177.093 176.300 -0.082 0.000 0.995 143 D CA 0.186 54.117 54.000 -0.114 0.000 0.903 143 D CB 1.880 42.670 40.800 -0.017 0.000 1.205 143 D HN 0.759 nan 8.370 nan 0.000 0.459 144 S N 0.817 116.495 115.700 -0.037 0.000 4.054 144 S HA -0.396 4.074 4.470 0.001 0.000 0.618 144 S C 1.769 176.433 174.600 0.106 0.000 2.026 144 S CA 2.366 60.649 58.200 0.138 0.000 4.205 144 S CB -1.562 61.774 63.200 0.227 0.000 0.233 144 S HN 1.173 nan 8.310 nan 0.000 0.612 145 A N 0.869 123.731 122.820 0.070 0.000 1.948 145 A HA 0.033 4.354 4.320 0.001 0.000 0.220 145 A C 2.543 179.806 177.584 -0.534 0.000 1.177 145 A CA 2.737 54.608 52.037 -0.275 0.000 0.636 145 A CB -1.682 16.927 19.000 -0.652 0.000 0.815 145 A HN 1.657 nan 8.150 nan 0.000 0.449 146 G N -0.843 107.723 108.800 -0.390 0.000 2.422 146 G HA2 0.048 4.008 3.960 0.001 0.000 0.218 146 G HA3 0.048 4.008 3.960 0.001 0.000 0.218 146 G C 1.489 176.198 174.900 -0.319 0.000 1.146 146 G CA 1.226 46.078 45.100 -0.413 0.000 0.769 146 G HN 0.718 nan 8.290 nan 0.000 0.547 147 G N 0.820 109.498 108.800 -0.203 0.000 2.418 147 G HA2 0.058 4.019 3.960 0.001 0.000 0.217 147 G HA3 0.058 4.019 3.960 0.001 0.000 0.217 147 G C 1.763 176.608 174.900 -0.092 0.000 1.158 147 G CA 1.344 46.358 45.100 -0.143 0.000 0.771 147 G HN 0.552 nan 8.290 nan 0.000 0.545 148 G N 0.599 109.378 108.800 -0.034 0.000 2.402 148 G HA2 -0.152 3.808 3.960 0.001 0.000 0.216 148 G HA3 -0.152 3.808 3.960 0.001 0.000 0.216 148 G C 1.732 176.622 174.900 -0.016 0.000 1.162 148 G CA 0.646 45.752 45.100 0.010 0.000 0.777 148 G HN 0.379 nan 8.290 nan 0.000 0.539 149 L N 0.710 121.893 121.223 -0.066 0.000 2.079 149 L HA -0.107 4.234 4.340 0.001 0.000 0.210 149 L C 2.962 179.737 176.870 -0.159 0.000 1.081 149 L CA 0.916 55.703 54.840 -0.087 0.000 0.752 149 L CB -0.258 41.631 42.059 -0.282 0.000 0.896 149 L HN 0.136 nan 8.230 nan 0.000 0.433 150 V N 0.149 119.942 119.914 -0.200 0.000 2.250 150 V HA -0.379 3.742 4.120 0.001 0.000 0.250 150 V C 2.538 178.545 176.094 -0.146 0.000 1.060 150 V CA 1.782 63.966 62.300 -0.193 0.000 1.030 150 V CB -0.574 31.131 31.823 -0.197 0.000 0.643 150 V HN 0.382 nan 8.190 nan 0.000 0.445 151 L N -0.282 120.882 121.223 -0.099 0.000 2.056 151 L HA -0.096 4.245 4.340 0.001 0.000 0.207 151 L C 2.770 179.605 176.870 -0.058 0.000 1.078 151 L CA 2.318 57.118 54.840 -0.067 0.000 0.749 151 L CB -1.876 40.164 42.059 -0.032 0.000 0.901 151 L HN 0.413 nan 8.230 nan 0.000 0.433 152 A N -0.278 122.521 122.820 -0.035 0.000 1.908 152 A HA -0.168 4.152 4.320 0.001 0.000 0.218 152 A C 2.474 179.950 177.584 -0.180 0.000 1.181 152 A CA 1.844 53.862 52.037 -0.033 0.000 0.627 152 A CB -0.796 18.237 19.000 0.054 0.000 0.818 152 A HN 0.222 nan 8.150 nan 0.000 0.445 153 V N -0.081 119.728 119.914 -0.175 0.000 2.407 153 V HA -0.243 3.878 4.120 0.001 0.000 0.248 153 V C 2.545 178.501 176.094 -0.231 0.000 1.055 153 V CA 1.923 64.094 62.300 -0.215 0.000 1.049 153 V CB -0.622 31.079 31.823 -0.204 0.000 0.662 153 V HN 0.568 nan 8.190 nan 0.000 0.455 154 L N -0.849 120.250 121.223 -0.207 0.000 2.023 154 L HA -0.114 4.227 4.340 0.001 0.000 0.205 154 L C 2.485 179.281 176.870 -0.124 0.000 1.073 154 L CA 1.130 55.861 54.840 -0.183 0.000 0.745 154 L CB -0.705 41.265 42.059 -0.149 0.000 0.900 154 L HN 0.169 nan 8.230 nan 0.000 0.435 155 V N -0.750 119.107 119.914 -0.095 0.000 2.252 155 V HA -0.367 3.754 4.120 0.001 0.000 0.249 155 V C 2.710 178.741 176.094 -0.104 0.000 1.056 155 V CA 2.263 64.547 62.300 -0.026 0.000 1.022 155 V CB -0.740 31.141 31.823 0.097 0.000 0.641 155 V HN 0.461 nan 8.190 nan 0.000 0.445 156 S N -0.532 114.931 115.700 -0.395 0.000 2.348 156 S HA -0.198 4.273 4.470 0.001 0.000 0.221 156 S C 2.164 176.669 174.600 -0.158 0.000 1.033 156 S CA 1.678 59.568 58.200 -0.516 0.000 1.010 156 S CB -0.466 62.254 63.200 -0.801 0.000 0.891 156 S HN 0.640 nan 8.310 nan 0.000 0.442 157 A N 2.262 125.011 122.820 -0.118 0.000 1.873 157 A HA -0.188 4.133 4.320 0.001 0.000 0.218 157 A C 2.245 179.844 177.584 0.025 0.000 1.193 157 A CA 1.916 53.948 52.037 -0.008 0.000 0.629 157 A CB -0.946 18.049 19.000 -0.009 0.000 0.826 157 A HN 0.612 nan 8.150 nan 0.000 0.447 158 R N -0.441 120.060 120.500 0.002 0.000 2.082 158 R HA -0.203 4.138 4.340 0.001 0.000 0.234 158 R C 1.525 177.852 176.300 0.046 0.000 1.136 158 R CA 2.108 58.225 56.100 0.028 0.000 0.935 158 R CB -0.622 29.688 30.300 0.017 0.000 0.842 158 R HN 0.458 nan 8.270 nan 0.000 0.430 159 D N 0.487 120.922 120.400 0.058 0.000 2.271 159 D HA -0.169 4.471 4.640 0.001 0.000 0.207 159 D C 1.075 177.421 176.300 0.076 0.000 0.983 159 D CA 1.246 55.300 54.000 0.091 0.000 0.878 159 D CB -0.063 40.844 40.800 0.178 0.000 0.920 159 D HN 0.420 nan 8.370 nan 0.000 0.479 160 Q N -1.075 118.761 119.800 0.060 0.000 2.204 160 Q HA 0.328 4.668 4.340 0.001 0.000 0.209 160 Q C 0.748 176.780 176.000 0.055 0.000 0.861 160 Q CA 0.133 55.971 55.803 0.057 0.000 0.971 160 Q CB 0.842 29.611 28.738 0.052 0.000 1.095 160 Q HN 0.231 nan 8.270 nan 0.000 0.486 161 G N 0.748 109.581 108.800 0.055 0.000 2.160 161 G HA2 -0.241 3.719 3.960 0.001 0.000 0.251 161 G HA3 -0.241 3.719 3.960 0.001 0.000 0.251 161 G C -0.354 174.583 174.900 0.062 0.000 1.008 161 G CA -0.231 44.900 45.100 0.052 0.000 0.724 161 G HN 0.192 nan 8.290 nan 0.000 0.514 162 L N 1.471 122.745 121.223 0.086 0.000 2.357 162 L HA 0.626 4.966 4.340 0.001 0.000 0.273 162 L C -1.278 175.683 176.870 0.150 0.000 1.080 162 L CA -2.572 52.344 54.840 0.126 0.000 0.803 162 L CB 0.897 43.074 42.059 0.198 0.000 1.174 162 L HN 0.039 nan 8.230 nan 0.000 0.443 163 P HA 0.239 nan 4.420 nan 0.000 0.278 163 P C -0.833 176.614 177.300 0.245 0.000 1.238 163 P CA -0.586 62.604 63.100 0.150 0.000 0.794 163 P CB 0.915 32.678 31.700 0.104 0.000 0.955 164 M N 2.946 122.638 119.600 0.154 0.000 2.288 164 M HA 0.322 4.802 4.480 0.001 0.000 0.334 164 M C -1.843 174.559 176.300 0.170 0.000 1.150 164 M CA -2.067 53.301 55.300 0.112 0.000 1.118 164 M CB 0.301 32.927 32.600 0.043 0.000 1.501 164 M HN 0.265 nan 8.290 nan 0.000 0.462 165 P HA 0.162 nan 4.420 nan 0.000 0.274 165 P C 0.042 177.429 177.300 0.145 0.000 1.260 165 P CA -0.124 63.103 63.100 0.213 0.000 0.793 165 P CB 0.284 32.073 31.700 0.148 0.000 1.048 166 A N 0.191 123.130 122.820 0.197 0.000 2.015 166 A HA 0.060 4.381 4.320 0.001 0.000 0.219 166 A C 1.035 178.608 177.584 -0.018 0.000 1.163 166 A CA 1.752 53.859 52.037 0.117 0.000 0.646 166 A CB -0.818 18.334 19.000 0.254 0.000 0.806 166 A HN 0.774 nan 8.150 nan 0.000 0.448 167 S N -3.587 112.098 115.700 -0.024 0.000 2.587 167 S HA 0.700 5.170 4.470 0.001 0.000 0.269 167 S C -0.898 173.712 174.600 0.018 0.000 1.154 167 S CA -0.128 58.058 58.200 -0.023 0.000 0.824 167 S CB 0.997 64.095 63.200 -0.169 0.000 1.118 167 S HN 1.650 nan 8.310 nan 0.000 0.462 168 A N 0.586 123.450 122.820 0.074 0.000 2.488 168 A HA 0.806 5.127 4.320 0.001 0.000 0.298 168 A C -1.515 176.040 177.584 -0.050 0.000 1.044 168 A CA -0.635 51.395 52.037 -0.012 0.000 0.693 168 A CB 0.955 19.923 19.000 -0.053 0.000 1.272 168 A HN 0.909 nan 8.150 nan 0.000 0.402 169 I N 3.499 124.005 120.570 -0.105 0.000 2.623 169 I HA 0.313 4.484 4.170 0.001 0.000 0.275 169 I C -2.431 173.567 176.117 -0.199 0.000 1.108 169 I CA -1.542 59.642 61.300 -0.192 0.000 1.120 169 I CB 1.825 39.710 38.000 -0.192 0.000 1.249 169 I HN 0.326 nan 8.210 nan 0.000 0.500 170 P HA 0.297 nan 4.420 nan 0.000 0.276 170 P C -0.398 176.799 177.300 -0.171 0.000 1.230 170 P CA 0.018 63.019 63.100 -0.165 0.000 0.776 170 P CB 1.247 32.882 31.700 -0.108 0.000 0.888 171 I N 1.874 122.326 120.570 -0.197 0.000 2.382 171 I HA 0.095 4.265 4.170 0.001 0.000 0.285 171 I C 0.306 176.328 176.117 -0.159 0.000 1.007 171 I CA -0.557 60.584 61.300 -0.264 0.000 1.142 171 I CB 0.881 38.573 38.000 -0.513 0.000 1.289 171 I HN 0.333 nan 8.210 nan 0.000 0.453 172 S N 4.638 120.328 115.700 -0.017 0.000 3.631 172 S HA -0.092 4.379 4.470 0.001 0.000 0.366 172 S C -2.166 172.522 174.600 0.147 0.000 0.993 172 S CA -0.185 58.075 58.200 0.101 0.000 1.167 172 S CB -1.437 61.774 63.200 0.019 0.000 0.909 172 S HN 0.531 nan 8.310 nan 0.000 0.478 173 P HA 0.217 nan 4.420 nan 0.000 0.278 173 P C -0.312 177.156 177.300 0.280 0.000 1.238 173 P CA -0.289 62.892 63.100 0.135 0.000 0.794 173 P CB 0.519 32.256 31.700 0.062 0.000 0.955 174 W N 3.916 125.266 121.300 0.083 0.000 2.316 174 W HA 0.506 5.167 4.660 0.002 0.000 0.339 174 W C -0.270 176.325 176.519 0.127 0.000 1.002 174 W CA -0.993 56.429 57.345 0.127 0.000 1.465 174 W CB -0.196 29.350 29.460 0.143 0.000 1.300 174 W HN 0.472 nan 8.180 nan 0.000 0.378 175 A N 3.894 126.840 122.820 0.210 0.000 2.503 175 A HA 0.204 4.525 4.320 0.001 0.000 0.263 175 A C -0.462 177.117 177.584 -0.008 0.000 1.258 175 A CA 0.014 52.077 52.037 0.043 0.000 0.936 175 A CB -0.035 18.983 19.000 0.029 0.000 1.070 175 A HN 0.338 nan 8.150 nan 0.000 0.522 176 D N -0.467 119.953 120.400 0.034 0.000 2.375 176 D HA 0.267 4.908 4.640 0.001 0.000 0.241 176 D C 0.766 177.133 176.300 0.112 0.000 1.361 176 D CA -0.373 53.696 54.000 0.115 0.000 0.995 176 D CB 0.582 41.482 40.800 0.165 0.000 1.312 176 D HN -0.041 nan 8.370 nan 0.000 0.576 177 M N 1.494 121.051 119.600 -0.072 0.000 2.549 177 M HA -0.051 4.429 4.480 0.001 0.000 0.260 177 M C 1.797 178.164 176.300 0.111 0.000 1.076 177 M CA 0.920 56.146 55.300 -0.124 0.000 1.090 177 M CB -1.058 31.391 32.600 -0.253 0.000 1.418 177 M HN 0.537 nan 8.290 nan 0.000 0.486 178 T N -3.058 111.571 114.554 0.125 0.000 2.985 178 T HA -0.074 4.277 4.350 0.001 0.000 0.266 178 T C 1.166 175.866 174.700 0.000 0.000 1.076 178 T CA 0.603 62.740 62.100 0.062 0.000 1.135 178 T CB -0.774 68.133 68.868 0.065 0.000 0.890 178 T HN 0.482 nan 8.240 nan 0.000 0.480 179 C N 2.462 121.762 119.300 -0.001 0.000 4.235 179 C HA -0.121 4.339 4.460 0.001 0.000 0.301 179 C C 1.535 176.128 174.990 -0.661 0.000 1.409 179 C CA 0.714 59.411 59.018 -0.534 0.000 2.024 179 C CB -3.348 24.001 27.740 -0.650 0.000 1.286 179 C HN 0.891 nan 8.230 nan 0.000 0.746 180 T N -4.047 110.378 114.554 -0.215 0.000 3.054 180 T HA 0.128 4.479 4.350 0.001 0.000 0.255 180 T C 0.196 174.924 174.700 0.046 0.000 1.035 180 T CA -0.003 62.040 62.100 -0.094 0.000 0.941 180 T CB -0.028 68.843 68.868 0.004 0.000 1.026 180 T HN 0.741 nan 8.240 nan 0.000 0.533 181 N N 2.186 120.997 118.700 0.185 0.000 2.479 181 N HA 0.057 4.797 4.740 0.001 0.000 0.257 181 N C 0.277 175.981 175.510 0.323 0.000 1.232 181 N CA -0.490 52.745 53.050 0.308 0.000 0.920 181 N CB 0.670 39.406 38.487 0.414 0.000 1.105 181 N HN 0.090 nan 8.380 nan 0.000 0.444 182 D N 0.409 120.923 120.400 0.190 0.000 2.149 182 D HA -0.169 4.472 4.640 0.001 0.000 0.198 182 D C 1.890 178.276 176.300 0.143 0.000 0.990 182 D CA 1.374 55.459 54.000 0.142 0.000 0.839 182 D CB -0.361 40.491 40.800 0.087 0.000 0.948 182 D HN 0.570 nan 8.370 nan 0.000 0.460 183 S N -0.174 115.594 115.700 0.113 0.000 2.500 183 S HA -0.139 4.332 4.470 0.001 0.000 0.239 183 S C 1.848 176.419 174.600 -0.048 0.000 0.989 183 S CA 0.261 58.467 58.200 0.010 0.000 0.951 183 S CB -0.809 62.362 63.200 -0.049 0.000 0.759 183 S HN 0.128 nan 8.310 nan 0.000 0.523 184 F N 2.759 122.719 119.950 0.017 0.000 2.333 184 F HA 0.027 4.555 4.527 0.001 0.000 0.300 184 F C 2.458 178.259 175.800 0.001 0.000 1.083 184 F CA 1.079 59.082 58.000 0.005 0.000 1.395 184 F CB -0.033 38.975 39.000 0.013 0.000 1.056 184 F HN 0.362 nan 8.300 nan 0.000 0.529 185 K N -1.236 119.255 120.400 0.152 0.000 2.344 185 K HA 0.104 4.425 4.320 0.001 0.000 0.200 185 K C 1.888 178.512 176.600 0.041 0.000 1.132 185 K CA 1.202 57.538 56.287 0.083 0.000 0.935 185 K CB -1.025 31.521 32.500 0.076 0.000 1.089 185 K HN 0.199 nan 8.250 nan 0.000 0.496 186 T N -0.114 114.462 114.554 0.037 0.000 2.897 186 T HA -0.045 4.306 4.350 0.001 0.000 0.271 186 T C 1.785 176.483 174.700 -0.003 0.000 1.084 186 T CA 1.033 63.143 62.100 0.017 0.000 1.123 186 T CB -0.014 68.865 68.868 0.019 0.000 0.865 186 T HN -0.003 nan 8.240 nan 0.000 0.496 187 R N -0.409 120.081 120.500 -0.017 0.000 2.509 187 R HA 0.646 4.987 4.340 0.001 0.000 0.297 187 R C 2.054 178.322 176.300 -0.053 0.000 0.951 187 R CA 0.456 56.529 56.100 -0.045 0.000 1.103 187 R CB -0.330 29.923 30.300 -0.078 0.000 1.283 187 R HN 0.387 nan 8.270 nan 0.000 0.534 188 A N 0.369 123.172 122.820 -0.029 0.000 1.902 188 A HA -0.161 4.159 4.320 0.001 0.000 0.217 188 A C 1.896 179.465 177.584 -0.024 0.000 1.181 188 A CA 1.654 53.678 52.037 -0.022 0.000 0.623 188 A CB -0.228 18.781 19.000 0.015 0.000 0.818 188 A HN 0.414 nan 8.150 nan 0.000 0.443 189 E N -0.632 119.558 120.200 -0.018 0.000 2.230 189 E HA 0.103 4.454 4.350 0.001 0.000 0.192 189 E C 1.879 178.466 176.600 -0.022 0.000 0.987 189 E CA 0.589 56.980 56.400 -0.015 0.000 0.841 189 E CB -0.106 29.588 29.700 -0.010 0.000 0.783 189 E HN 0.523 nan 8.360 nan 0.000 0.481 190 A N 0.708 123.511 122.820 -0.028 0.000 2.119 190 A HA -0.061 4.260 4.320 0.001 0.000 0.216 190 A C 0.847 178.410 177.584 -0.035 0.000 1.152 190 A CA 0.429 52.447 52.037 -0.033 0.000 0.708 190 A CB 0.080 19.059 19.000 -0.035 0.000 0.805 190 A HN 0.147 nan 8.150 nan 0.000 0.460 191 D N 0.047 120.423 120.400 -0.039 0.000 2.359 191 D HA 0.279 4.919 4.640 0.001 0.000 0.230 191 D C -1.895 174.386 176.300 -0.031 0.000 1.118 191 D CA -1.910 52.066 54.000 -0.040 0.000 0.844 191 D CB 1.490 42.245 40.800 -0.075 0.000 1.059 191 D HN 0.104 nan 8.370 nan 0.000 0.493 192 P HA 0.059 nan 4.420 nan 0.000 0.255 192 P C 1.108 178.408 177.300 -0.000 0.000 1.248 192 P CA 0.077 63.168 63.100 -0.016 0.000 0.807 192 P CB 0.525 32.210 31.700 -0.026 0.000 1.150 193 M N -0.216 119.390 119.600 0.009 0.000 2.545 193 M HA 0.116 4.596 4.480 0.001 0.000 0.264 193 M C 0.803 177.094 176.300 -0.015 0.000 1.155 193 M CA 0.581 55.910 55.300 0.049 0.000 1.162 193 M CB 0.457 33.147 32.600 0.150 0.000 1.330 193 M HN -0.189 nan 8.290 nan 0.000 0.479 194 V N -0.099 119.763 119.914 -0.086 0.000 2.525 194 V HA 0.856 4.977 4.120 0.001 0.000 0.299 194 V C -0.995 175.050 176.094 -0.082 0.000 1.034 194 V CA -0.971 61.247 62.300 -0.136 0.000 0.863 194 V CB 1.340 32.982 31.823 -0.302 0.000 0.999 194 V HN 0.161 nan 8.190 nan 0.000 0.423 195 A N 8.237 131.028 122.820 -0.049 0.000 2.306 195 A HA 1.078 5.398 4.320 0.001 0.000 0.314 195 A C -2.562 175.022 177.584 -0.001 0.000 1.164 195 A CA -1.385 50.643 52.037 -0.014 0.000 0.822 195 A CB 1.366 20.362 19.000 -0.007 0.000 1.130 195 A HN 0.821 nan 8.150 nan 0.000 0.496 196 P HA 0.406 nan 4.420 nan 0.000 0.349 196 P C 1.064 178.377 177.300 0.021 0.000 1.165 196 P CA 0.748 63.862 63.100 0.023 0.000 0.767 196 P CB 0.358 32.079 31.700 0.035 0.000 1.623 197 G N -0.677 108.133 108.800 0.018 0.000 3.025 197 G HA2 -0.422 3.539 3.960 0.001 0.000 0.235 197 G HA3 -0.422 3.539 3.960 0.001 0.000 0.235 197 G C 1.470 176.383 174.900 0.021 0.000 1.142 197 G CA 2.009 47.120 45.100 0.019 0.000 0.964 197 G HN 0.765 nan 8.290 nan 0.000 0.671 198 G N 0.645 109.451 108.800 0.011 0.000 2.545 198 G HA2 -0.174 3.787 3.960 0.001 0.000 0.217 198 G HA3 -0.174 3.787 3.960 0.001 0.000 0.217 198 G C 1.782 176.676 174.900 -0.010 0.000 1.218 198 G CA 1.375 46.475 45.100 0.002 0.000 0.787 198 G HN 0.935 nan 8.290 nan 0.000 0.571 199 I N 0.575 121.113 120.570 -0.054 0.000 2.493 199 I HA -0.122 4.049 4.170 0.001 0.000 0.254 199 I C 2.151 178.277 176.117 0.016 0.000 1.160 199 I CA 0.991 62.205 61.300 -0.144 0.000 1.445 199 I CB -0.101 37.723 38.000 -0.292 0.000 1.086 199 I HN 0.083 nan 8.210 nan 0.000 0.433 200 N N 1.119 119.855 118.700 0.059 0.000 2.216 200 N HA -0.202 4.539 4.740 0.001 0.000 0.183 200 N C 1.789 177.380 175.510 0.136 0.000 1.017 200 N CA 0.911 54.027 53.050 0.110 0.000 0.861 200 N CB -0.195 38.319 38.487 0.045 0.000 0.986 200 N HN 0.261 nan 8.380 nan 0.000 0.428 201 K N 1.466 121.929 120.400 0.105 0.000 2.057 201 K HA 0.060 4.381 4.320 0.001 0.000 0.207 201 K C 2.010 178.710 176.600 0.166 0.000 1.049 201 K CA 1.003 57.355 56.287 0.108 0.000 0.931 201 K CB -0.224 32.322 32.500 0.076 0.000 0.714 201 K HN 0.078 nan 8.250 nan 0.000 0.440 202 M N -0.373 119.354 119.600 0.212 0.000 2.067 202 M HA -0.137 4.344 4.480 0.001 0.000 0.260 202 M C 2.192 178.769 176.300 0.463 0.000 1.069 202 M CA 1.924 57.420 55.300 0.328 0.000 1.117 202 M CB -0.397 32.400 32.600 0.328 0.000 1.334 202 M HN 0.271 nan 8.290 nan 0.000 0.407 203 A N 0.277 123.442 122.820 0.576 0.000 1.908 203 A HA -0.116 4.204 4.320 0.001 0.000 0.218 203 A C 2.340 180.045 177.584 0.202 0.000 1.181 203 A CA 2.034 54.319 52.037 0.415 0.000 0.627 203 A CB -1.069 18.186 19.000 0.426 0.000 0.818 203 A HN 0.527 nan 8.150 nan 0.000 0.445 204 A N -0.108 122.813 122.820 0.169 0.000 1.865 204 A HA -0.205 4.116 4.320 0.001 0.000 0.217 204 A C 2.270 179.914 177.584 0.099 0.000 1.191 204 A CA 1.665 53.759 52.037 0.096 0.000 0.623 204 A CB -0.527 18.522 19.000 0.082 0.000 0.826 204 A HN 0.567 nan 8.150 nan 0.000 0.444 205 R N -2.261 118.327 120.500 0.147 0.000 2.073 205 R HA -0.157 4.184 4.340 0.001 0.000 0.234 205 R C 2.229 178.647 176.300 0.197 0.000 1.134 205 R CA 1.713 57.905 56.100 0.154 0.000 0.952 205 R CB -0.631 29.772 30.300 0.173 0.000 0.850 205 R HN 0.656 nan 8.270 nan 0.000 0.433 206 Y N 1.726 122.081 120.300 0.092 0.000 2.145 206 Y HA -0.159 4.392 4.550 0.001 0.000 0.286 206 Y C 1.981 177.880 175.900 -0.002 0.000 1.145 206 Y CA 1.343 59.464 58.100 0.035 0.000 1.148 206 Y CB -0.469 37.943 38.460 -0.081 0.000 0.981 206 Y HN -0.055 nan 8.280 nan 0.000 0.507 207 L N 0.038 121.196 121.223 -0.109 0.000 2.093 207 L HA -0.204 4.136 4.340 0.001 0.000 0.208 207 L C 1.165 177.965 176.870 -0.116 0.000 1.085 207 L CA 1.396 56.089 54.840 -0.245 0.000 0.755 207 L CB -0.789 41.152 42.059 -0.197 0.000 0.904 207 L HN 0.297 nan 8.230 nan 0.000 0.435 208 N N 0.295 118.971 118.700 -0.040 0.000 2.708 208 N HA -0.242 4.498 4.740 0.001 0.000 0.251 208 N C 0.639 176.131 175.510 -0.030 0.000 1.017 208 N CA 1.004 54.044 53.050 -0.018 0.000 0.742 208 N CB -0.927 37.554 38.487 -0.009 0.000 0.943 208 N HN 0.612 nan 8.380 nan 0.000 0.539 209 G N -2.945 105.830 108.800 -0.042 0.000 2.213 209 G HA2 -0.011 3.949 3.960 0.001 0.000 0.226 209 G HA3 -0.011 3.949 3.960 0.001 0.000 0.226 209 G C 0.364 175.231 174.900 -0.056 0.000 0.992 209 G CA 0.452 45.528 45.100 -0.041 0.000 0.632 209 G HN 1.239 nan 8.290 nan 0.000 0.511 210 A N 0.313 123.087 122.820 -0.078 0.000 2.366 210 A HA 0.503 4.824 4.320 0.001 0.000 0.249 210 A C 0.490 177.989 177.584 -0.140 0.000 1.084 210 A CA 0.621 52.605 52.037 -0.088 0.000 0.794 210 A CB 0.181 19.142 19.000 -0.064 0.000 1.034 210 A HN 0.533 nan 8.150 nan 0.000 0.491 211 D N 1.291 121.627 120.400 -0.105 0.000 2.479 211 D HA 0.172 4.813 4.640 0.001 0.000 0.257 211 D C 1.283 177.465 176.300 -0.196 0.000 1.230 211 D CA 0.984 54.912 54.000 -0.121 0.000 0.912 211 D CB 0.606 41.368 40.800 -0.064 0.000 1.130 211 D HN 0.544 nan 8.370 nan 0.000 0.515 212 A N 4.815 127.521 122.820 -0.190 0.000 2.178 212 A HA -0.158 4.163 4.320 0.001 0.000 0.218 212 A C 1.752 179.218 177.584 -0.195 0.000 1.157 212 A CA 1.103 53.022 52.037 -0.198 0.000 0.689 212 A CB -0.058 18.861 19.000 -0.135 0.000 0.787 212 A HN 0.610 nan 8.150 nan 0.000 0.465 213 K N -0.792 119.455 120.400 -0.255 0.000 2.358 213 K HA 0.055 4.376 4.320 0.001 0.000 0.197 213 K C 0.163 176.651 176.600 -0.186 0.000 1.025 213 K CA -0.356 55.695 56.287 -0.393 0.000 1.104 213 K CB 0.106 32.163 32.500 -0.739 0.000 0.855 213 K HN 0.572 nan 8.250 nan 0.000 0.531 214 H N 2.710 121.643 119.070 -0.229 0.000 3.125 214 H HA -0.019 4.538 4.556 0.001 0.000 0.310 214 H C -1.807 173.477 175.328 -0.073 0.000 0.980 214 H CA -0.867 55.075 56.048 -0.178 0.000 1.422 214 H CB 1.162 30.778 29.762 -0.244 0.000 1.432 214 H HN -0.057 nan 8.280 nan 0.000 0.577 215 P HA -0.192 nan 4.420 nan 0.000 0.217 215 P C 0.895 178.411 177.300 0.360 0.000 1.148 215 P CA 1.643 64.787 63.100 0.075 0.000 0.828 215 P CB -0.134 31.539 31.700 -0.045 0.000 0.783 216 Y N -1.428 119.123 120.300 0.418 0.000 2.490 216 Y HA 0.163 4.714 4.550 0.001 0.000 0.285 216 Y C 2.516 178.595 175.900 0.299 0.000 1.117 216 Y CA 0.028 58.368 58.100 0.399 0.000 1.262 216 Y CB -0.271 38.488 38.460 0.498 0.000 1.043 216 Y HN -0.057 nan 8.280 nan 0.000 0.553 217 A N -0.252 122.658 122.820 0.150 0.000 1.903 217 A HA -0.001 4.319 4.320 0.001 0.000 0.213 217 A C 1.083 178.594 177.584 -0.121 0.000 1.185 217 A CA 0.808 52.656 52.037 -0.315 0.000 0.628 217 A CB -0.264 18.195 19.000 -0.902 0.000 0.830 217 A HN 0.137 nan 8.150 nan 0.000 0.446 218 S N 0.261 115.963 115.700 0.003 0.000 2.395 218 S HA 0.417 4.887 4.470 0.001 0.000 0.207 218 S C -2.517 172.159 174.600 0.126 0.000 1.454 218 S CA -0.831 57.408 58.200 0.066 0.000 1.211 218 S CB 1.495 64.826 63.200 0.219 0.000 1.093 218 S HN 0.150 nan 8.310 nan 0.000 0.472 219 P HA 0.015 nan 4.420 nan 0.000 0.234 219 P C 0.929 178.211 177.300 -0.030 0.000 1.167 219 P CA 0.563 63.701 63.100 0.063 0.000 0.763 219 P CB 0.080 31.806 31.700 0.044 0.000 0.835 220 N N -1.028 117.581 118.700 -0.151 0.000 2.443 220 N HA -0.075 4.665 4.740 0.001 0.000 0.184 220 N C 0.555 175.764 175.510 -0.502 0.000 1.037 220 N CA 0.902 53.749 53.050 -0.338 0.000 0.896 220 N CB -0.667 37.545 38.487 -0.458 0.000 0.959 220 N HN 0.264 nan 8.380 nan 0.000 0.442 221 F N -0.386 119.566 119.950 0.004 0.000 2.639 221 F HA 0.435 4.963 4.527 0.001 0.000 0.300 221 F C 0.901 176.690 175.800 -0.018 0.000 1.109 221 F CA -0.587 57.405 58.000 -0.014 0.000 1.335 221 F CB 0.153 39.131 39.000 -0.037 0.000 1.014 221 F HN -0.137 nan 8.300 nan 0.000 0.537 222 A N 0.453 123.329 122.820 0.093 0.000 2.294 222 A HA 0.287 4.608 4.320 0.001 0.000 0.330 222 A C -0.092 177.527 177.584 0.057 0.000 1.133 222 A CA -0.717 51.371 52.037 0.086 0.000 0.836 222 A CB 0.410 19.477 19.000 0.112 0.000 1.190 222 A HN 0.313 nan 8.150 nan 0.000 0.492 223 N N 1.905 120.638 118.700 0.055 0.000 2.399 223 N HA 0.143 4.884 4.740 0.001 0.000 0.259 223 N C -0.050 175.488 175.510 0.045 0.000 1.160 223 N CA -0.233 52.843 53.050 0.043 0.000 0.946 223 N CB 0.240 38.749 38.487 0.038 0.000 1.156 223 N HN 0.611 nan 8.380 nan 0.000 0.489 224 L N 2.627 123.869 121.223 0.031 0.000 2.611 224 L HA 0.113 4.454 4.340 0.001 0.000 0.229 224 L C 1.181 178.063 176.870 0.020 0.000 1.137 224 L CA 0.070 54.924 54.840 0.023 0.000 0.901 224 L CB -0.220 41.845 42.059 0.011 0.000 1.098 224 L HN 0.499 nan 8.230 nan 0.000 0.456 225 K N 0.734 121.149 120.400 0.024 0.000 2.368 225 K HA 0.251 4.572 4.320 0.001 0.000 0.282 225 K C 0.982 177.595 176.600 0.022 0.000 1.035 225 K CA 0.918 57.218 56.287 0.021 0.000 0.973 225 K CB 0.623 33.136 32.500 0.022 0.000 0.957 225 K HN 0.190 nan 8.250 nan 0.000 0.474 226 G N 3.150 111.962 108.800 0.020 0.000 2.195 226 G HA2 -0.208 3.752 3.960 0.001 0.000 0.224 226 G HA3 -0.208 3.752 3.960 0.001 0.000 0.224 226 G C 0.103 175.013 174.900 0.016 0.000 0.990 226 G CA -0.254 44.858 45.100 0.021 0.000 0.639 226 G HN 0.498 nan 8.290 nan 0.000 0.514 227 L N 2.507 123.737 121.223 0.011 0.000 2.452 227 L HA 0.346 4.686 4.340 0.001 0.000 0.267 227 L C -0.913 175.962 176.870 0.009 0.000 1.188 227 L CA -1.581 53.259 54.840 0.001 0.000 0.821 227 L CB 0.299 42.352 42.059 -0.009 0.000 1.102 227 L HN 0.061 nan 8.230 nan 0.000 0.470 228 P HA 0.178 nan 4.420 nan 0.000 0.274 228 P C -2.651 174.673 177.300 0.040 0.000 1.260 228 P CA -1.474 61.639 63.100 0.021 0.000 0.793 228 P CB -0.587 31.122 31.700 0.015 0.000 1.048 229 P HA 0.135 nan 4.420 nan 0.000 0.265 229 P C -0.580 176.851 177.300 0.219 0.000 1.193 229 P CA 0.428 63.605 63.100 0.129 0.000 0.765 229 P CB 0.119 31.888 31.700 0.116 0.000 0.823 230 L N 3.546 124.863 121.223 0.157 0.000 2.334 230 L HA 0.515 4.855 4.340 0.001 0.000 0.273 230 L C -0.150 176.582 176.870 -0.231 0.000 1.013 230 L CA -0.457 54.393 54.840 0.016 0.000 0.816 230 L CB 1.374 43.413 42.059 -0.033 0.000 1.278 230 L HN 0.296 nan 8.230 nan 0.000 0.431 231 L N 4.264 125.141 121.223 -0.576 0.000 2.381 231 L HA 0.609 4.949 4.340 0.001 0.000 0.274 231 L C -1.341 175.264 176.870 -0.442 0.000 0.988 231 L CA -0.375 53.994 54.840 -0.785 0.000 0.824 231 L CB 1.633 42.757 42.059 -1.560 0.000 1.263 231 L HN 0.535 nan 8.230 nan 0.000 0.410 232 I N 4.293 124.729 120.570 -0.223 0.000 2.389 232 I HA 0.339 4.509 4.170 0.001 0.000 0.288 232 I C -0.671 175.524 176.117 0.131 0.000 0.999 232 I CA -0.644 60.610 61.300 -0.076 0.000 1.129 232 I CB 1.472 39.467 38.000 -0.008 0.000 1.288 232 I HN 0.486 nan 8.210 nan 0.000 0.444 233 H N 4.929 124.029 119.070 0.050 0.000 2.467 233 H HA 0.738 5.294 4.556 0.001 0.000 0.331 233 H C -0.608 174.887 175.328 0.277 0.000 1.120 233 H CA -0.705 55.476 56.048 0.223 0.000 1.270 233 H CB 2.263 32.116 29.762 0.152 0.000 1.466 233 H HN 0.320 nan 8.280 nan 0.000 0.504 234 V N 1.442 121.695 119.914 0.566 0.000 3.178 234 V HA 0.670 4.790 4.120 0.001 0.000 0.302 234 V C -0.402 175.922 176.094 0.383 0.000 1.262 234 V CA -0.512 62.063 62.300 0.458 0.000 1.030 234 V CB 2.596 34.576 31.823 0.261 0.000 1.074 234 V HN 0.920 nan 8.190 nan 0.000 0.438 235 G N 1.923 110.875 108.800 0.253 0.000 2.389 235 G HA2 0.488 4.449 3.960 0.001 0.000 0.328 235 G HA3 0.488 4.449 3.960 0.001 0.000 0.328 235 G C 0.258 175.164 174.900 0.010 0.000 1.133 235 G CA -0.309 44.776 45.100 -0.025 0.000 0.891 235 G HN 0.944 nan 8.290 nan 0.000 0.485 236 R N 0.509 120.983 120.500 -0.043 0.000 2.117 236 R HA -0.099 4.241 4.340 0.001 0.000 0.243 236 R C 0.417 176.696 176.300 -0.035 0.000 1.143 236 R CA 1.560 57.639 56.100 -0.033 0.000 0.968 236 R CB 0.029 30.297 30.300 -0.054 0.000 0.863 236 R HN 0.439 nan 8.270 nan 0.000 0.444 237 D N 1.202 121.575 120.400 -0.044 0.000 3.168 237 D HA 0.078 4.719 4.640 0.001 0.000 0.255 237 D C -0.713 175.575 176.300 -0.021 0.000 1.314 237 D CA 0.120 54.097 54.000 -0.038 0.000 0.900 237 D CB -0.040 40.733 40.800 -0.045 0.000 1.072 237 D HN 0.527 nan 8.370 nan 0.000 0.487 238 E N -1.965 118.220 120.200 -0.025 0.000 2.340 238 E HA 0.314 4.665 4.350 0.001 0.000 0.273 238 E C 0.162 176.666 176.600 -0.161 0.000 0.891 238 E CA -0.918 55.449 56.400 -0.054 0.000 0.757 238 E CB 1.948 31.677 29.700 0.047 0.000 1.231 238 E HN -0.197 nan 8.360 nan 0.000 0.439 239 V N 2.312 122.054 119.914 -0.288 0.000 2.913 239 V HA -0.085 4.035 4.120 0.001 0.000 0.260 239 V C 1.197 176.810 176.094 -0.801 0.000 1.098 239 V CA 1.334 63.311 62.300 -0.538 0.000 1.121 239 V CB -0.333 31.147 31.823 -0.572 0.000 0.714 239 V HN 0.683 nan 8.190 nan 0.000 0.487 240 L N -0.755 120.186 121.223 -0.471 0.000 2.685 240 L HA 0.152 4.492 4.340 0.001 0.000 0.233 240 L C 1.811 178.639 176.870 -0.069 0.000 1.173 240 L CA 0.056 54.724 54.840 -0.287 0.000 0.961 240 L CB 0.104 42.082 42.059 -0.136 0.000 1.217 240 L HN 0.336 nan 8.230 nan 0.000 0.478 241 L N 0.094 121.270 121.223 -0.079 0.000 1.989 241 L HA -0.256 4.084 4.340 0.001 0.000 0.211 241 L C 1.905 178.794 176.870 0.032 0.000 1.071 241 L CA 1.819 56.663 54.840 0.006 0.000 0.749 241 L CB -0.011 42.042 42.059 -0.011 0.000 0.890 241 L HN 0.378 nan 8.230 nan 0.000 0.431 242 D N -0.072 120.342 120.400 0.023 0.000 2.178 242 D HA -0.189 4.452 4.640 0.001 0.000 0.201 242 D C 1.682 178.032 176.300 0.084 0.000 0.980 242 D CA 1.205 55.242 54.000 0.062 0.000 0.842 242 D CB -0.214 40.642 40.800 0.093 0.000 0.948 242 D HN 0.393 nan 8.370 nan 0.000 0.472 243 D N -0.253 120.217 120.400 0.117 0.000 2.103 243 D HA -0.126 4.515 4.640 0.001 0.000 0.190 243 D C 2.109 178.458 176.300 0.081 0.000 0.997 243 D CA 1.466 55.545 54.000 0.133 0.000 0.833 243 D CB -0.179 40.750 40.800 0.214 0.000 0.961 243 D HN -0.004 nan 8.370 nan 0.000 0.447 244 S N -0.404 115.348 115.700 0.086 0.000 2.368 244 S HA -0.092 4.379 4.470 0.001 0.000 0.225 244 S C 2.119 176.751 174.600 0.053 0.000 1.030 244 S CA 0.514 58.758 58.200 0.074 0.000 0.999 244 S CB -0.255 63.007 63.200 0.103 0.000 0.844 244 S HN 0.244 nan 8.310 nan 0.000 0.459 245 I N 1.260 121.861 120.570 0.052 0.000 2.264 245 I HA -0.220 3.951 4.170 0.001 0.000 0.248 245 I C 2.226 178.357 176.117 0.023 0.000 1.111 245 I CA 1.262 62.585 61.300 0.039 0.000 1.382 245 I CB -0.194 37.828 38.000 0.037 0.000 1.060 245 I HN 0.227 nan 8.210 nan 0.000 0.418 246 K N -0.124 120.286 120.400 0.016 0.000 2.314 246 K HA -0.056 4.264 4.320 0.001 0.000 0.198 246 K C 1.951 178.532 176.600 -0.031 0.000 1.045 246 K CA 0.576 56.855 56.287 -0.013 0.000 0.988 246 K CB 0.035 32.517 32.500 -0.030 0.000 0.783 246 K HN 0.139 nan 8.250 nan 0.000 0.484 247 L N 1.909 123.121 121.223 -0.018 0.000 2.044 247 L HA -0.137 4.203 4.340 0.001 0.000 0.205 247 L C 1.822 178.684 176.870 -0.014 0.000 1.075 247 L CA 1.973 56.798 54.840 -0.025 0.000 0.747 247 L CB -0.526 41.528 42.059 -0.007 0.000 0.903 247 L HN 0.073 nan 8.230 nan 0.000 0.435 248 D N -0.389 120.012 120.400 0.001 0.000 2.116 248 D HA -0.235 4.405 4.640 0.001 0.000 0.193 248 D C 2.077 178.379 176.300 0.004 0.000 0.998 248 D CA 1.752 55.756 54.000 0.006 0.000 0.836 248 D CB -0.084 40.728 40.800 0.019 0.000 0.951 248 D HN 0.456 nan 8.370 nan 0.000 0.449 249 A N -0.223 122.598 122.820 0.003 0.000 1.930 249 A HA -0.118 4.202 4.320 0.001 0.000 0.217 249 A C 2.126 179.708 177.584 -0.004 0.000 1.175 249 A CA 1.826 53.864 52.037 0.002 0.000 0.627 249 A CB -0.606 18.396 19.000 0.003 0.000 0.815 249 A HN 0.192 nan 8.150 nan 0.000 0.443 250 K N 0.167 120.557 120.400 -0.017 0.000 2.063 250 K HA -0.062 4.259 4.320 0.001 0.000 0.208 250 K C 1.990 178.586 176.600 -0.007 0.000 1.048 250 K CA 1.623 57.898 56.287 -0.020 0.000 0.928 250 K CB -0.441 32.031 32.500 -0.047 0.000 0.713 250 K HN 0.361 nan 8.250 nan 0.000 0.442 251 A N 0.879 123.696 122.820 -0.005 0.000 1.897 251 A HA -0.131 4.190 4.320 0.001 0.000 0.215 251 A C 1.785 179.374 177.584 0.009 0.000 1.181 251 A CA 1.416 53.454 52.037 0.002 0.000 0.620 251 A CB -0.402 18.598 19.000 0.001 0.000 0.821 251 A HN 0.163 nan 8.150 nan 0.000 0.443 252 K N 0.333 120.739 120.400 0.010 0.000 2.001 252 K HA -0.182 4.139 4.320 0.001 0.000 0.214 252 K C 2.267 178.875 176.600 0.013 0.000 1.050 252 K CA 1.585 57.880 56.287 0.014 0.000 0.934 252 K CB -1.234 31.274 32.500 0.014 0.000 0.718 252 K HN 0.444 nan 8.250 nan 0.000 0.443 253 A N 2.145 124.971 122.820 0.010 0.000 1.903 253 A HA -0.211 4.109 4.320 0.001 0.000 0.219 253 A C 1.569 179.160 177.584 0.012 0.000 1.191 253 A CA 2.246 54.290 52.037 0.011 0.000 0.638 253 A CB -0.581 18.425 19.000 0.010 0.000 0.823 253 A HN 0.268 nan 8.150 nan 0.000 0.451 254 D N -1.540 118.867 120.400 0.012 0.000 2.352 254 D HA 0.303 4.944 4.640 0.001 0.000 0.232 254 D C 1.323 177.633 176.300 0.016 0.000 1.055 254 D CA 1.153 55.161 54.000 0.014 0.000 0.891 254 D CB -0.074 40.734 40.800 0.014 0.000 0.897 254 D HN 0.666 nan 8.370 nan 0.000 0.529 255 G N -0.329 108.481 108.800 0.016 0.000 2.157 255 G HA2 -0.271 3.690 3.960 0.001 0.000 0.248 255 G HA3 -0.271 3.690 3.960 0.001 0.000 0.248 255 G C 0.344 175.255 174.900 0.020 0.000 0.979 255 G CA 0.187 45.298 45.100 0.018 0.000 0.650 255 G HN 0.277 nan 8.290 nan 0.000 0.529 256 V N 0.538 120.464 119.914 0.019 0.000 2.530 256 V HA 0.359 4.480 4.120 0.001 0.000 0.282 256 V C 1.057 177.168 176.094 0.028 0.000 1.048 256 V CA -0.430 61.884 62.300 0.022 0.000 0.997 256 V CB 1.518 33.351 31.823 0.017 0.000 0.987 256 V HN 0.303 nan 8.190 nan 0.000 0.477 257 K N 3.104 123.527 120.400 0.038 0.000 2.250 257 K HA 0.177 4.497 4.320 0.001 0.000 0.277 257 K C 0.206 176.843 176.600 0.063 0.000 1.091 257 K CA 0.325 56.644 56.287 0.052 0.000 1.046 257 K CB 0.122 32.659 32.500 0.061 0.000 0.982 257 K HN 0.779 nan 8.250 nan 0.000 0.429 258 S N 2.240 117.968 115.700 0.047 0.000 2.568 258 S HA 0.556 5.026 4.470 0.001 0.000 0.302 258 S C -0.907 173.711 174.600 0.030 0.000 1.082 258 S CA -0.663 57.555 58.200 0.030 0.000 1.009 258 S CB 1.466 64.673 63.200 0.013 0.000 1.069 258 S HN 0.400 nan 8.310 nan 0.000 0.500 259 T N 4.060 118.610 114.554 -0.007 0.000 2.949 259 T HA 0.382 4.733 4.350 0.001 0.000 0.300 259 T C -1.073 173.620 174.700 -0.013 0.000 0.988 259 T CA -0.441 61.657 62.100 -0.003 0.000 0.993 259 T CB 0.833 69.696 68.868 -0.009 0.000 0.984 259 T HN 0.605 nan 8.240 nan 0.000 0.442 260 L N 3.398 124.645 121.223 0.040 0.000 2.282 260 L HA 0.538 4.878 4.340 0.001 0.000 0.288 260 L C -0.397 176.557 176.870 0.140 0.000 1.033 260 L CA -0.562 54.327 54.840 0.083 0.000 0.807 260 L CB 1.058 43.159 42.059 0.069 0.000 1.209 260 L HN 0.660 nan 8.230 nan 0.000 0.423 261 E N 5.665 126.028 120.200 0.272 0.000 2.155 261 E HA 0.379 4.729 4.350 0.001 0.000 0.264 261 E C -1.030 175.782 176.600 0.353 0.000 0.886 261 E CA -0.445 56.140 56.400 0.308 0.000 0.752 261 E CB 2.342 32.339 29.700 0.495 0.000 1.133 261 E HN 0.496 nan 8.360 nan 0.000 0.414 262 I N 3.220 123.892 120.570 0.170 0.000 2.307 262 I HA 0.203 4.373 4.170 0.001 0.000 0.289 262 I C -0.693 175.465 176.117 0.069 0.000 1.021 262 I CA -0.565 60.829 61.300 0.157 0.000 1.224 262 I CB 0.455 38.496 38.000 0.069 0.000 1.376 262 I HN 0.388 nan 8.210 nan 0.000 0.470 263 W N 5.646 126.806 121.300 -0.232 0.000 2.345 263 W HA 0.222 4.883 4.660 0.001 0.000 0.308 263 W C 0.344 176.637 176.519 -0.376 0.000 1.273 263 W CA -0.403 56.706 57.345 -0.394 0.000 1.243 263 W CB 0.035 29.017 29.460 -0.796 0.000 1.260 263 W HN 0.372 nan 8.180 nan 0.000 0.509 264 D N 3.859 124.171 120.400 -0.146 0.000 2.455 264 D HA -0.057 4.584 4.640 0.001 0.000 0.241 264 D C 0.746 176.960 176.300 -0.144 0.000 1.138 264 D CA 1.038 54.959 54.000 -0.132 0.000 0.877 264 D CB 0.536 41.257 40.800 -0.131 0.000 1.187 264 D HN 0.481 nan 8.370 nan 0.000 0.451 265 D N -0.167 120.157 120.400 -0.126 0.000 2.946 265 D HA -0.181 4.460 4.640 0.001 0.000 0.202 265 D C 0.222 176.422 176.300 -0.168 0.000 1.068 265 D CA 0.763 54.689 54.000 -0.123 0.000 1.011 265 D CB -0.405 40.332 40.800 -0.104 0.000 1.105 265 D HN 0.319 nan 8.370 nan 0.000 0.425 266 M N 0.354 119.795 119.600 -0.266 0.000 2.359 266 M HA 0.526 5.007 4.480 0.001 0.000 0.322 266 M C 0.998 177.203 176.300 -0.159 0.000 1.166 266 M CA -0.655 54.397 55.300 -0.413 0.000 1.067 266 M CB 1.341 33.215 32.600 -1.209 0.000 1.523 266 M HN 0.114 nan 8.290 nan 0.000 0.467 267 I N -1.838 118.753 120.570 0.035 0.000 3.436 267 I HA 0.467 4.638 4.170 0.001 0.000 0.296 267 I C -0.012 176.354 176.117 0.415 0.000 1.143 267 I CA -1.094 60.314 61.300 0.179 0.000 1.009 267 I CB 0.885 38.961 38.000 0.127 0.000 1.301 267 I HN 0.520 nan 8.210 nan 0.000 0.503 268 H N 1.832 121.045 119.070 0.238 0.000 3.187 268 H HA 0.129 4.685 4.556 0.001 0.000 0.286 268 H C 0.266 175.788 175.328 0.324 0.000 0.944 268 H CA 0.804 57.000 56.048 0.246 0.000 1.429 268 H CB -0.038 29.801 29.762 0.129 0.000 1.483 268 H HN 0.552 nan 8.280 nan 0.000 0.555 269 V N 5.342 125.224 119.914 -0.055 0.000 5.359 269 V HA -0.318 3.803 4.120 0.001 0.000 0.278 269 V C 1.451 177.618 176.094 0.122 0.000 0.622 269 V CA 1.484 63.696 62.300 -0.147 0.000 0.649 269 V CB -2.300 29.322 31.823 -0.334 0.000 0.408 269 V HN 1.034 nan 8.190 nan 0.000 0.918 270 W N -0.191 121.253 121.300 0.239 0.000 2.480 270 W HA -0.092 4.568 4.660 0.000 0.000 0.257 270 W C 1.514 178.137 176.519 0.174 0.000 1.235 270 W CA 1.205 58.707 57.345 0.261 0.000 1.218 270 W CB -0.778 28.721 29.460 0.064 0.000 1.131 270 W HN 0.553 nan 8.180 nan 0.000 0.606 271 H N 1.487 120.079 119.070 -0.797 0.000 2.390 271 H HA -0.111 4.446 4.556 0.001 0.000 0.298 271 H C 2.370 177.593 175.328 -0.175 0.000 1.106 271 H CA 2.462 58.198 56.048 -0.520 0.000 1.297 271 H CB -1.079 28.351 29.762 -0.554 0.000 1.375 271 H HN 0.337 nan 8.280 nan 0.000 0.509 272 A N 0.242 122.999 122.820 -0.105 0.000 2.121 272 A HA -0.053 4.268 4.320 0.001 0.000 0.218 272 A C 0.970 178.330 177.584 -0.374 0.000 1.154 272 A CA 0.733 52.603 52.037 -0.278 0.000 0.679 272 A CB -0.666 18.014 19.000 -0.533 0.000 0.795 272 A HN 0.349 nan 8.150 nan 0.000 0.458 273 F N 0.076 120.037 119.950 0.017 0.000 2.713 273 F HA 0.152 4.679 4.527 0.000 0.000 0.294 273 F C 1.674 177.347 175.800 -0.212 0.000 1.152 273 F CA 0.145 58.116 58.000 -0.048 0.000 1.385 273 F CB -0.720 38.329 39.000 0.082 0.000 0.981 273 F HN 0.534 nan 8.300 nan 0.000 0.514 274 H N -0.453 118.601 119.070 -0.026 0.000 2.426 274 H HA -0.105 4.452 4.556 0.002 0.000 0.298 274 H C -1.221 174.030 175.328 -0.127 0.000 1.107 274 H CA 1.164 57.166 56.048 -0.076 0.000 1.298 274 H CB -2.122 27.574 29.762 -0.110 0.000 1.377 274 H HN 0.126 nan 8.280 nan 0.000 0.519 275 P HA -0.109 nan 4.420 nan 0.000 0.226 275 P C 1.343 178.531 177.300 -0.188 0.000 1.153 275 P CA 1.617 64.501 63.100 -0.358 0.000 0.777 275 P CB 0.114 31.385 31.700 -0.716 0.000 0.794 276 M N -3.536 115.981 119.600 -0.139 0.000 2.314 276 M HA 0.309 4.789 4.480 0.001 0.000 0.383 276 M C -0.799 175.508 176.300 0.010 0.000 0.984 276 M CA -0.034 55.240 55.300 -0.044 0.000 0.982 276 M CB 0.249 32.832 32.600 -0.028 0.000 1.745 276 M HN -0.188 nan 8.290 nan 0.000 0.600 277 L N 3.073 124.320 121.223 0.041 0.000 2.372 277 L HA 0.578 4.919 4.340 0.001 0.000 0.273 277 L C -2.125 174.804 176.870 0.098 0.000 0.989 277 L CA -1.180 53.711 54.840 0.085 0.000 0.841 277 L CB 2.148 44.297 42.059 0.151 0.000 1.225 277 L HN -0.197 nan 8.230 nan 0.000 0.414 278 P HA -0.135 nan 4.420 nan 0.000 0.216 278 P C 0.671 178.051 177.300 0.134 0.000 1.150 278 P CA 1.206 64.359 63.100 0.090 0.000 0.837 278 P CB 0.503 32.246 31.700 0.072 0.000 0.786 279 E N -0.810 119.492 120.200 0.171 0.000 2.106 279 E HA -0.074 4.276 4.350 0.001 0.000 0.192 279 E C 2.274 179.015 176.600 0.236 0.000 0.984 279 E CA 1.378 57.935 56.400 0.262 0.000 0.806 279 E CB -1.342 28.487 29.700 0.215 0.000 0.750 279 E HN 0.184 nan 8.360 nan 0.000 0.458 280 G N 1.273 110.211 108.800 0.229 0.000 2.491 280 G HA2 -0.348 3.612 3.960 0.001 0.000 0.218 280 G HA3 -0.348 3.612 3.960 0.001 0.000 0.218 280 G C 1.423 176.262 174.900 -0.102 0.000 1.180 280 G CA 1.121 46.210 45.100 -0.018 0.000 0.774 280 G HN 0.175 nan 8.290 nan 0.000 0.562 281 K N 0.115 120.535 120.400 0.033 0.000 2.009 281 K HA -0.124 4.196 4.320 0.001 0.000 0.210 281 K C 2.864 179.467 176.600 0.003 0.000 1.049 281 K CA 1.630 57.927 56.287 0.016 0.000 0.929 281 K CB -0.270 32.260 32.500 0.050 0.000 0.714 281 K HN 0.411 nan 8.250 nan 0.000 0.440 282 Q N 0.117 119.960 119.800 0.071 0.000 2.077 282 Q HA -0.196 4.144 4.340 0.001 0.000 0.206 282 Q C 2.207 178.286 176.000 0.131 0.000 0.989 282 Q CA 1.735 57.636 55.803 0.164 0.000 0.853 282 Q CB -0.315 28.626 28.738 0.338 0.000 0.907 282 Q HN 0.356 nan 8.270 nan 0.000 0.418 283 A N 0.918 123.636 122.820 -0.170 0.000 1.972 283 A HA -0.148 4.173 4.320 0.001 0.000 0.219 283 A C 2.063 179.584 177.584 -0.104 0.000 1.169 283 A CA 1.023 52.800 52.037 -0.433 0.000 0.635 283 A CB -0.583 17.594 19.000 -1.372 0.000 0.810 283 A HN 0.300 nan 8.150 nan 0.000 0.446 284 I N -0.495 119.990 120.570 -0.143 0.000 2.142 284 I HA -0.215 3.956 4.170 0.001 0.000 0.240 284 I C 2.364 178.508 176.117 0.046 0.000 1.078 284 I CA 1.211 62.507 61.300 -0.006 0.000 1.343 284 I CB -0.634 37.315 38.000 -0.085 0.000 1.046 284 I HN 0.143 nan 8.210 nan 0.000 0.405 285 V N 1.029 120.971 119.914 0.047 0.000 2.278 285 V HA -0.330 3.791 4.120 0.001 0.000 0.251 285 V C 2.685 178.861 176.094 0.137 0.000 1.062 285 V CA 1.938 64.288 62.300 0.084 0.000 1.038 285 V CB -0.842 31.036 31.823 0.092 0.000 0.646 285 V HN 0.401 nan 8.190 nan 0.000 0.447 286 R N -0.108 120.515 120.500 0.204 0.000 2.120 286 R HA -0.077 4.264 4.340 0.001 0.000 0.234 286 R C 1.995 178.438 176.300 0.239 0.000 1.123 286 R CA 1.360 57.631 56.100 0.286 0.000 0.975 286 R CB -1.020 29.569 30.300 0.482 0.000 0.866 286 R HN 0.449 nan 8.270 nan 0.000 0.446 287 V N -0.394 119.626 119.914 0.177 0.000 2.323 287 V HA -0.091 4.030 4.120 0.001 0.000 0.244 287 V C 2.344 178.499 176.094 0.102 0.000 1.041 287 V CA 1.838 64.187 62.300 0.083 0.000 1.025 287 V CB -1.089 30.758 31.823 0.039 0.000 0.656 287 V HN 0.493 nan 8.190 nan 0.000 0.451 288 G N -0.170 108.684 108.800 0.090 0.000 2.599 288 G HA2 -0.330 3.631 3.960 0.001 0.000 0.219 288 G HA3 -0.330 3.631 3.960 0.001 0.000 0.219 288 G C 1.426 176.375 174.900 0.082 0.000 1.193 288 G CA 1.300 46.449 45.100 0.082 0.000 0.778 288 G HN 0.568 nan 8.290 nan 0.000 0.589 289 E N -0.521 119.745 120.200 0.111 0.000 2.085 289 E HA -0.153 4.198 4.350 0.001 0.000 0.194 289 E C 2.118 178.763 176.600 0.075 0.000 0.994 289 E CA 1.060 57.522 56.400 0.104 0.000 0.801 289 E CB -0.256 29.524 29.700 0.133 0.000 0.743 289 E HN 0.506 nan 8.360 nan 0.000 0.453 290 F N 0.995 120.931 119.950 -0.023 0.000 2.075 290 F HA -0.201 4.327 4.527 0.001 0.000 0.297 290 F C 2.267 177.962 175.800 -0.174 0.000 1.113 290 F CA 1.468 59.426 58.000 -0.069 0.000 1.218 290 F CB -0.113 38.846 39.000 -0.069 0.000 0.984 290 F HN -0.077 nan 8.300 nan 0.000 0.472 291 M N 0.107 119.580 119.600 -0.212 0.000 2.073 291 M HA -0.284 4.197 4.480 0.001 0.000 0.258 291 M C 2.316 178.209 176.300 -0.679 0.000 1.070 291 M CA 2.126 57.036 55.300 -0.650 0.000 1.103 291 M CB -0.467 31.744 32.600 -0.648 0.000 1.321 291 M HN 0.080 nan 8.290 nan 0.000 0.405 292 R N -0.244 120.144 120.500 -0.186 0.000 2.092 292 R HA -0.111 4.230 4.340 0.001 0.000 0.231 292 R C 2.027 178.344 176.300 0.028 0.000 1.119 292 R CA 1.332 57.502 56.100 0.117 0.000 0.970 292 R CB -0.361 30.040 30.300 0.167 0.000 0.864 292 R HN 0.505 nan 8.270 nan 0.000 0.440 293 E N 0.489 120.629 120.200 -0.099 0.000 2.097 293 E HA -0.214 4.137 4.350 0.001 0.000 0.196 293 E C 1.990 178.483 176.600 -0.179 0.000 1.000 293 E CA 1.098 57.423 56.400 -0.124 0.000 0.804 293 E CB 0.069 29.662 29.700 -0.179 0.000 0.740 293 E HN 0.258 nan 8.360 nan 0.000 0.454 294 Q N -0.976 118.597 119.800 -0.377 0.000 2.432 294 Q HA -0.078 4.263 4.340 0.001 0.000 0.205 294 Q C 1.550 177.492 176.000 -0.097 0.000 0.945 294 Q CA 0.580 56.178 55.803 -0.342 0.000 0.924 294 Q CB 0.123 28.508 28.738 -0.589 0.000 1.016 294 Q HN 0.461 nan 8.270 nan 0.000 0.503 295 W N 0.334 121.591 121.300 -0.072 0.000 2.640 295 W HA 0.270 4.930 4.660 0.001 0.000 0.268 295 W C 2.069 178.595 176.519 0.012 0.000 1.263 295 W CA 0.252 57.601 57.345 0.007 0.000 1.344 295 W CB -0.518 28.973 29.460 0.051 0.000 1.093 295 W HN 0.110 nan 8.180 nan 0.000 0.603 296 A N 0.878 123.810 122.820 0.188 0.000 1.873 296 A HA 0.171 4.492 4.320 0.001 0.000 0.215 296 A C 1.603 179.231 177.584 0.073 0.000 1.186 296 A CA 1.638 53.739 52.037 0.108 0.000 0.616 296 A CB -1.028 18.009 19.000 0.062 0.000 0.823 296 A HN -0.009 nan 8.150 nan 0.000 0.442 297 A N 0.000 122.842 122.820 0.037 0.000 2.254 297 A HA 0.000 4.321 4.320 0.001 0.000 0.244 297 A CA 0.000 52.051 52.037 0.023 0.000 0.836 297 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 297 A HN 0.000 nan 8.150 nan 0.000 0.486