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 1a3w_1_B DATA FIRST_RESID 2 DATA SEQUENCE SRLERLTSLX XXXXSDLRRT SIIGTIGPKT NNPETLVALR KAGLNIVRMN DATA SEQUENCE FSHGSYEYHK SVIDNARKSE ELYPGRPLAI ALDTKGPEIR TGTTTNDXXX DATA SEQUENCE PIPPNHEMIF TTDDKYAKAC DDKIMYVDYK NITKVISAGR IIYVDDGVLS DATA SEQUENCE FQVLEVVDXX TLKVKALNAG KICSHKGVNL PGTDVDLPAL SEKDKEDLRF DATA SEQUENCE GVKNGVHMVF ASFIRTANDV LTIREVLGEQ GKDVKIIVKI ENQQGVNNFD DATA SEQUENCE EILKVTDGVM VARGDLGIEI PAPEVLAVQK KLIAKSNLAG KPVICATQML DATA SEQUENCE ESMTYNPRPT RAEVSDVGNA ILDGADCVML SGETAKGNYP INAVTTMAET DATA SEQUENCE AVIAEQAIAY LPNYDDMRNC TPKPTSTTET VAASAVAAVF EQKAKAIIVL DATA SEQUENCE STSGTTPRLV SKYRPNCPII LVTRCPRAAR FSHLYRGVFP FVFEKEPVSD DATA SEQUENCE WTDDVEARIN FGIEKAKEFG ILKKGDTYVS IQGFKAGAGH SNTLQVSTV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.590 174.600 -0.016 0.000 1.055 2 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 2 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 3 R N 1.291 121.781 120.500 -0.017 0.000 2.096 3 R HA 0.011 4.352 4.340 0.002 0.000 0.235 3 R C 1.872 178.162 176.300 -0.017 0.000 1.127 3 R CA 1.593 57.681 56.100 -0.020 0.000 0.968 3 R CB -0.455 29.833 30.300 -0.019 0.000 0.861 3 R HN 0.455 nan 8.270 nan 0.000 0.440 4 L N 1.556 122.771 121.223 -0.013 0.000 2.056 4 L HA -0.094 4.248 4.340 0.002 0.000 0.207 4 L C 2.384 179.248 176.870 -0.010 0.000 1.078 4 L CA 1.733 56.566 54.840 -0.011 0.000 0.749 4 L CB -1.208 40.846 42.059 -0.009 0.000 0.901 4 L HN 0.347 nan 8.230 nan 0.000 0.433 5 E N -0.299 119.895 120.200 -0.010 0.000 2.031 5 E HA -0.275 4.076 4.350 0.002 0.000 0.193 5 E C 2.304 178.898 176.600 -0.009 0.000 0.994 5 E CA 1.361 57.756 56.400 -0.009 0.000 0.800 5 E CB 0.016 29.711 29.700 -0.008 0.000 0.752 5 E HN 0.309 nan 8.360 nan 0.000 0.447 6 R N 0.370 120.862 120.500 -0.013 0.000 2.082 6 R HA -0.201 4.140 4.340 0.002 0.000 0.234 6 R C 2.451 178.743 176.300 -0.014 0.000 1.136 6 R CA 1.525 57.617 56.100 -0.015 0.000 0.935 6 R CB -0.448 29.838 30.300 -0.024 0.000 0.842 6 R HN 0.122 nan 8.270 nan 0.000 0.430 7 L N 0.974 122.187 121.223 -0.016 0.000 2.081 7 L HA -0.167 4.175 4.340 0.002 0.000 0.212 7 L C 2.453 179.318 176.870 -0.009 0.000 1.080 7 L CA 2.043 56.874 54.840 -0.014 0.000 0.754 7 L CB -0.732 41.318 42.059 -0.015 0.000 0.893 7 L HN 0.307 nan 8.230 nan 0.000 0.433 8 T N -1.410 113.139 114.554 -0.008 0.000 2.788 8 T HA -0.060 4.291 4.350 0.002 0.000 0.268 8 T C 0.889 175.587 174.700 -0.003 0.000 1.044 8 T CA 1.271 63.368 62.100 -0.005 0.000 1.139 8 T CB -0.178 68.687 68.868 -0.005 0.000 0.867 8 T HN 0.336 nan 8.240 nan 0.000 0.454 9 S N 1.728 117.426 115.700 -0.003 0.000 2.505 9 S HA 0.623 5.094 4.470 0.002 0.000 0.280 9 S C -0.700 173.901 174.600 0.002 0.000 1.197 9 S CA -0.778 57.422 58.200 0.000 0.000 1.138 9 S CB 0.818 64.019 63.200 0.001 0.000 1.010 9 S HN 0.033 nan 8.310 nan 0.000 0.480 17 D N 0.669 121.103 120.400 0.056 0.000 2.340 17 D HA 0.602 5.244 4.640 0.002 0.000 0.251 17 D C -0.664 175.693 176.300 0.096 0.000 1.080 17 D CA -0.331 53.710 54.000 0.069 0.000 0.971 17 D CB 0.401 41.250 40.800 0.082 0.000 1.137 17 D HN 0.158 nan 8.370 nan 0.000 0.475 18 L N 1.283 122.584 121.223 0.129 0.000 2.305 18 L HA 0.213 4.554 4.340 0.002 0.000 0.281 18 L C 0.855 177.886 176.870 0.270 0.000 1.085 18 L CA -0.110 54.856 54.840 0.211 0.000 0.813 18 L CB 0.531 42.762 42.059 0.288 0.000 1.157 18 L HN 0.239 nan 8.230 nan 0.000 0.436 19 R N 3.237 123.858 120.500 0.202 0.000 2.638 19 R HA -0.005 4.337 4.340 0.002 0.000 0.268 19 R C 0.196 176.602 176.300 0.177 0.000 1.006 19 R CA 0.541 56.733 56.100 0.154 0.000 1.088 19 R CB 0.374 30.727 30.300 0.089 0.000 0.950 19 R HN 0.639 nan 8.270 nan 0.000 0.419 20 R N 1.181 121.762 120.500 0.135 0.000 2.508 20 R HA 0.117 4.458 4.340 0.002 0.000 0.300 20 R C -0.335 175.975 176.300 0.017 0.000 0.970 20 R CA 0.065 56.216 56.100 0.086 0.000 1.102 20 R CB 0.953 31.365 30.300 0.188 0.000 1.246 20 R HN 0.585 nan 8.270 nan 0.000 0.539 21 T N -0.115 114.450 114.554 0.020 0.000 2.770 21 T HA 0.368 4.719 4.350 0.002 0.000 0.283 21 T C 0.355 175.042 174.700 -0.022 0.000 0.988 21 T CA -0.800 61.307 62.100 0.011 0.000 0.957 21 T CB 1.946 70.832 68.868 0.030 0.000 0.930 21 T HN -0.036 nan 8.240 nan 0.000 0.443 22 S N 2.716 118.397 115.700 -0.032 0.000 2.572 22 S HA 0.333 4.804 4.470 0.002 0.000 0.267 22 S C 0.147 174.726 174.600 -0.034 0.000 1.361 22 S CA -0.707 57.461 58.200 -0.053 0.000 1.009 22 S CB 0.003 63.184 63.200 -0.032 0.000 0.888 22 S HN 0.734 nan 8.310 nan 0.000 0.553 23 I N 1.150 121.694 120.570 -0.043 0.000 2.641 23 I HA 0.277 4.448 4.170 0.002 0.000 0.275 23 I C -0.588 175.525 176.117 -0.006 0.000 1.129 23 I CA -0.264 61.024 61.300 -0.021 0.000 1.094 23 I CB 0.473 38.460 38.000 -0.023 0.000 1.232 23 I HN 0.538 nan 8.210 nan 0.000 0.503 24 I N 3.907 124.490 120.570 0.022 0.000 2.752 24 I HA 0.230 4.401 4.170 0.002 0.000 0.287 24 I C 0.965 177.117 176.117 0.059 0.000 1.188 24 I CA 0.324 61.666 61.300 0.069 0.000 1.427 24 I CB 0.548 38.627 38.000 0.132 0.000 1.365 24 I HN 0.558 nan 8.210 nan 0.000 0.585 25 G N 3.424 112.265 108.800 0.069 0.000 2.723 25 G HA2 0.449 4.410 3.960 0.002 0.000 0.295 25 G HA3 0.449 4.410 3.960 0.002 0.000 0.295 25 G C -0.694 174.248 174.900 0.070 0.000 1.464 25 G CA -0.391 44.743 45.100 0.056 0.000 1.012 25 G HN 0.510 nan 8.290 nan 0.000 0.522 26 T N 3.916 118.511 114.554 0.067 0.000 2.737 26 T HA 0.243 4.595 4.350 0.002 0.000 0.296 26 T C 0.593 175.328 174.700 0.059 0.000 0.922 26 T CA -0.204 61.938 62.100 0.070 0.000 1.079 26 T CB 0.751 69.657 68.868 0.064 0.000 0.892 26 T HN 0.219 nan 8.240 nan 0.000 0.514 27 I N 3.877 124.486 120.570 0.066 0.000 2.371 27 I HA 0.413 4.584 4.170 0.002 0.000 0.290 27 I C 1.040 177.202 176.117 0.075 0.000 1.028 27 I CA -0.116 61.224 61.300 0.067 0.000 1.345 27 I CB 0.553 38.598 38.000 0.075 0.000 1.407 27 I HN 0.712 nan 8.210 nan 0.000 0.501 28 G N 6.976 115.815 108.800 0.065 0.000 2.735 28 G HA2 0.561 4.522 3.960 0.002 0.000 0.301 28 G HA3 0.561 4.522 3.960 0.002 0.000 0.301 28 G C -2.152 172.791 174.900 0.072 0.000 1.279 28 G CA -1.123 44.020 45.100 0.071 0.000 1.019 28 G HN 0.319 nan 8.290 nan 0.000 0.497 29 P HA -0.158 nan 4.420 nan 0.000 0.217 29 P C 1.501 178.829 177.300 0.048 0.000 1.158 29 P CA 1.571 64.716 63.100 0.076 0.000 0.887 29 P CB 0.169 31.920 31.700 0.084 0.000 0.792 30 K N -1.354 119.068 120.400 0.038 0.000 2.442 30 K HA -0.052 4.269 4.320 0.002 0.000 0.198 30 K C 1.399 178.012 176.600 0.021 0.000 1.044 30 K CA 1.635 57.935 56.287 0.022 0.000 0.948 30 K CB -0.657 31.850 32.500 0.012 0.000 0.762 30 K HN 0.354 nan 8.250 nan 0.000 0.472 31 T N -3.330 111.243 114.554 0.032 0.000 3.040 31 T HA 0.076 4.427 4.350 0.002 0.000 0.266 31 T C 0.534 175.258 174.700 0.041 0.000 1.005 31 T CA -0.497 61.623 62.100 0.033 0.000 0.906 31 T CB -0.062 68.828 68.868 0.035 0.000 1.082 31 T HN -0.074 nan 8.240 nan 0.000 0.531 32 N N 4.578 123.306 118.700 0.046 0.000 3.027 32 N HA 0.074 4.815 4.740 0.002 0.000 0.309 32 N C -0.862 174.672 175.510 0.039 0.000 1.222 32 N CA -0.142 52.939 53.050 0.052 0.000 1.187 32 N CB -0.745 37.778 38.487 0.060 0.000 1.458 32 N HN 0.605 nan 8.380 nan 0.000 0.535 33 N N 0.393 119.115 118.700 0.037 0.000 2.718 33 N HA 0.138 4.879 4.740 0.002 0.000 0.260 33 N C -2.776 172.755 175.510 0.034 0.000 1.089 33 N CA -1.016 52.053 53.050 0.031 0.000 1.021 33 N CB 1.402 39.902 38.487 0.023 0.000 1.618 33 N HN -0.130 nan 8.380 nan 0.000 0.554 34 P HA -0.285 nan 4.420 nan 0.000 0.224 34 P C 1.085 178.408 177.300 0.039 0.000 1.153 34 P CA 2.070 65.195 63.100 0.042 0.000 0.947 34 P CB 0.381 32.106 31.700 0.042 0.000 0.790 35 E N -1.279 118.940 120.200 0.031 0.000 2.048 35 E HA -0.176 4.176 4.350 0.002 0.000 0.202 35 E C 2.137 178.749 176.600 0.021 0.000 1.021 35 E CA 2.157 58.572 56.400 0.024 0.000 0.825 35 E CB -1.372 28.339 29.700 0.018 0.000 0.756 35 E HN 0.247 nan 8.360 nan 0.000 0.454 36 T N 1.081 115.647 114.554 0.021 0.000 2.668 36 T HA -0.107 4.244 4.350 0.002 0.000 0.262 36 T C 1.623 176.338 174.700 0.025 0.000 1.045 36 T CA 0.771 62.883 62.100 0.020 0.000 1.152 36 T CB -0.335 68.544 68.868 0.019 0.000 0.864 36 T HN 0.017 nan 8.240 nan 0.000 0.419 37 L N 1.452 122.695 121.223 0.032 0.000 2.197 37 L HA -0.104 4.237 4.340 0.002 0.000 0.215 37 L C 2.357 179.249 176.870 0.038 0.000 1.095 37 L CA 1.478 56.341 54.840 0.038 0.000 0.764 37 L CB -1.184 40.904 42.059 0.047 0.000 0.897 37 L HN 0.156 nan 8.230 nan 0.000 0.436 38 V N -0.536 119.400 119.914 0.038 0.000 2.273 38 V HA -0.167 3.954 4.120 0.002 0.000 0.242 38 V C 2.736 178.842 176.094 0.021 0.000 1.035 38 V CA 1.357 63.682 62.300 0.040 0.000 1.013 38 V CB -0.814 31.036 31.823 0.044 0.000 0.652 38 V HN 0.508 nan 8.190 nan 0.000 0.452 39 A N -0.345 122.481 122.820 0.010 0.000 1.997 39 A HA -0.254 4.067 4.320 0.002 0.000 0.221 39 A C 2.113 179.701 177.584 0.006 0.000 1.172 39 A CA 2.104 54.141 52.037 -0.000 0.000 0.645 39 A CB -0.621 18.380 19.000 0.002 0.000 0.813 39 A HN 0.422 nan 8.150 nan 0.000 0.454 40 L N -0.811 120.421 121.223 0.014 0.000 2.027 40 L HA -0.093 4.248 4.340 0.002 0.000 0.206 40 L C 2.620 179.495 176.870 0.008 0.000 1.074 40 L CA 2.002 56.850 54.840 0.014 0.000 0.745 40 L CB -0.681 41.391 42.059 0.021 0.000 0.898 40 L HN 0.340 nan 8.230 nan 0.000 0.433 41 R N -0.904 119.604 120.500 0.012 0.000 2.115 41 R HA -0.120 4.221 4.340 0.002 0.000 0.230 41 R C 2.210 178.514 176.300 0.006 0.000 1.111 41 R CA 0.893 56.998 56.100 0.008 0.000 0.976 41 R CB -0.186 30.130 30.300 0.027 0.000 0.870 41 R HN 0.279 nan 8.270 nan 0.000 0.445 42 K N 0.139 120.541 120.400 0.003 0.000 2.097 42 K HA -0.056 4.265 4.320 0.002 0.000 0.205 42 K C 2.074 178.667 176.600 -0.012 0.000 1.050 42 K CA 1.221 57.501 56.287 -0.012 0.000 0.938 42 K CB -0.036 32.443 32.500 -0.035 0.000 0.718 42 K HN 0.154 nan 8.250 nan 0.000 0.442 43 A N 0.208 123.025 122.820 -0.006 0.000 1.898 43 A HA -0.033 4.288 4.320 0.002 0.000 0.216 43 A C 1.580 179.161 177.584 -0.005 0.000 1.181 43 A CA 1.944 53.979 52.037 -0.003 0.000 0.620 43 A CB -0.155 18.847 19.000 0.004 0.000 0.819 43 A HN 0.451 nan 8.150 nan 0.000 0.442 44 G N -2.506 106.288 108.800 -0.010 0.000 3.800 44 G HA2 0.150 4.111 3.960 0.002 0.000 0.221 44 G HA3 0.150 4.111 3.960 0.002 0.000 0.221 44 G C -0.142 174.734 174.900 -0.040 0.000 0.893 44 G CA -0.073 45.014 45.100 -0.021 0.000 0.986 44 G HN 0.437 nan 8.290 nan 0.000 0.719 45 L N 1.468 122.672 121.223 -0.031 0.000 2.453 45 L HA 0.461 4.802 4.340 0.002 0.000 0.272 45 L C 0.850 177.667 176.870 -0.087 0.000 1.182 45 L CA 0.327 55.144 54.840 -0.038 0.000 0.858 45 L CB 0.505 42.558 42.059 -0.011 0.000 1.120 45 L HN 0.223 nan 8.230 nan 0.000 0.474 46 N N 3.546 122.175 118.700 -0.119 0.000 3.261 46 N HA 0.245 4.986 4.740 0.002 0.000 0.217 46 N C -0.286 175.141 175.510 -0.140 0.000 1.152 46 N CA -0.148 52.754 53.050 -0.247 0.000 1.153 46 N CB -0.225 38.033 38.487 -0.381 0.000 1.474 46 N HN 0.285 nan 8.380 nan 0.000 0.577 47 I N 1.591 122.124 120.570 -0.062 0.000 2.779 47 I HA 0.068 4.239 4.170 0.002 0.000 0.285 47 I C -0.008 176.145 176.117 0.059 0.000 1.134 47 I CA -0.052 61.273 61.300 0.040 0.000 1.398 47 I CB 0.880 38.955 38.000 0.125 0.000 1.404 47 I HN -0.087 nan 8.210 nan 0.000 0.587 48 V N 6.257 126.216 119.914 0.074 0.000 2.378 48 V HA 0.417 4.538 4.120 0.002 0.000 0.288 48 V C 0.221 176.347 176.094 0.055 0.000 1.016 48 V CA -0.910 61.432 62.300 0.069 0.000 0.840 48 V CB 1.392 33.258 31.823 0.072 0.000 0.994 48 V HN 0.528 nan 8.190 nan 0.000 0.431 49 R N 4.072 124.622 120.500 0.084 0.000 2.390 49 R HA 0.509 4.850 4.340 0.002 0.000 0.291 49 R C -0.651 175.679 176.300 0.050 0.000 1.070 49 R CA -0.345 55.802 56.100 0.079 0.000 1.014 49 R CB 1.079 31.490 30.300 0.185 0.000 1.007 49 R HN 0.636 nan 8.270 nan 0.000 0.466 50 M N 3.759 123.369 119.600 0.016 0.000 2.016 50 M HA 0.136 4.617 4.480 0.002 0.000 0.315 50 M C -0.458 175.886 176.300 0.073 0.000 0.930 50 M CA -0.532 54.793 55.300 0.042 0.000 0.899 50 M CB 0.652 33.332 32.600 0.132 0.000 1.401 50 M HN 0.287 nan 8.290 nan 0.000 0.386 51 N N 2.132 120.848 118.700 0.027 0.000 2.400 51 N HA 0.029 4.770 4.740 0.002 0.000 0.267 51 N C -0.370 175.132 175.510 -0.014 0.000 1.208 51 N CA 0.367 53.435 53.050 0.031 0.000 0.951 51 N CB 0.173 38.656 38.487 -0.008 0.000 1.227 51 N HN 0.436 nan 8.380 nan 0.000 0.488 52 F N 1.613 121.448 119.950 -0.193 0.000 2.725 52 F HA 0.121 4.650 4.527 0.002 0.000 0.303 52 F C 2.063 177.835 175.800 -0.047 0.000 1.167 52 F CA 0.077 57.998 58.000 -0.131 0.000 1.403 52 F CB -0.122 38.783 39.000 -0.158 0.000 1.077 52 F HN 0.472 nan 8.300 nan 0.000 0.537 53 S N -1.518 114.167 115.700 -0.025 0.000 2.387 53 S HA -0.026 4.445 4.470 0.002 0.000 0.226 53 S C 0.334 174.867 174.600 -0.113 0.000 1.026 53 S CA 0.743 58.850 58.200 -0.154 0.000 0.972 53 S CB -0.211 62.745 63.200 -0.406 0.000 0.814 53 S HN 0.415 nan 8.310 nan 0.000 0.477 54 H N -1.089 117.957 119.070 -0.041 0.000 2.637 54 H HA 0.587 5.144 4.556 0.002 0.000 0.363 54 H C 0.093 175.237 175.328 -0.307 0.000 1.131 54 H CA -0.421 55.530 56.048 -0.162 0.000 1.183 54 H CB 1.852 31.525 29.762 -0.149 0.000 1.637 54 H HN 0.338 nan 8.280 nan 0.000 0.531 55 G N 0.997 109.527 108.800 -0.449 0.000 2.674 55 G HA2 -0.100 3.861 3.960 0.002 0.000 0.686 55 G HA3 -0.100 3.861 3.960 0.002 0.000 0.686 55 G C -0.754 173.723 174.900 -0.705 0.000 1.195 55 G CA -0.735 43.826 45.100 -0.899 0.000 0.776 55 G HN 0.561 nan 8.290 nan 0.000 0.654 56 S N -0.494 114.996 115.700 -0.350 0.000 2.693 56 S HA 0.558 5.029 4.470 0.002 0.000 0.276 56 S C 1.196 175.527 174.600 -0.448 0.000 1.192 56 S CA -0.282 57.740 58.200 -0.297 0.000 0.994 56 S CB 0.604 63.821 63.200 0.028 0.000 1.012 56 S HN 0.544 nan 8.310 nan 0.000 0.550 57 Y N 1.227 121.386 120.300 -0.234 0.000 2.446 57 Y HA -0.148 4.403 4.550 0.003 0.000 0.287 57 Y C 2.449 178.285 175.900 -0.107 0.000 1.159 57 Y CA 1.243 59.159 58.100 -0.307 0.000 1.297 57 Y CB -0.199 38.136 38.460 -0.208 0.000 0.974 57 Y HN 0.670 nan 8.280 nan 0.000 0.557 58 E N -1.878 118.349 120.200 0.045 0.000 2.276 58 E HA -0.142 4.209 4.350 0.002 0.000 0.193 58 E C 1.369 177.928 176.600 -0.069 0.000 0.983 58 E CA 0.556 56.971 56.400 0.026 0.000 0.861 58 E CB -0.947 28.733 29.700 -0.033 0.000 0.817 58 E HN 0.469 nan 8.360 nan 0.000 0.485 59 Y N 1.400 121.542 120.300 -0.264 0.000 2.483 59 Y HA -0.110 4.441 4.550 0.002 0.000 0.291 59 Y C 1.654 177.356 175.900 -0.330 0.000 1.143 59 Y CA 1.785 59.674 58.100 -0.351 0.000 1.289 59 Y CB -0.015 38.110 38.460 -0.558 0.000 0.983 59 Y HN 0.284 nan 8.280 nan 0.000 0.556 60 H N -2.916 116.154 119.070 0.001 0.000 2.501 60 H HA 0.067 4.624 4.556 0.002 0.000 0.281 60 H C 1.994 177.447 175.328 0.209 0.000 0.988 60 H CA -0.057 55.994 56.048 0.005 0.000 1.232 60 H CB 0.189 29.788 29.762 -0.271 0.000 1.455 60 H HN -0.208 nan 8.280 nan 0.000 0.501 61 K N 1.567 122.231 120.400 0.440 0.000 2.360 61 K HA -0.116 4.205 4.320 0.002 0.000 0.201 61 K C 1.957 178.688 176.600 0.218 0.000 1.046 61 K CA 1.330 57.875 56.287 0.430 0.000 0.940 61 K CB -0.044 32.719 32.500 0.438 0.000 0.748 61 K HN 0.397 nan 8.250 nan 0.000 0.465 62 S N -0.941 114.853 115.700 0.156 0.000 2.414 62 S HA -0.048 4.424 4.470 0.002 0.000 0.227 62 S C 2.103 176.763 174.600 0.101 0.000 1.022 62 S CA 0.757 59.010 58.200 0.088 0.000 0.958 62 S CB -0.268 62.949 63.200 0.029 0.000 0.797 62 S HN -0.005 nan 8.310 nan 0.000 0.493 63 V N 2.431 122.429 119.914 0.141 0.000 2.323 63 V HA -0.015 4.106 4.120 0.002 0.000 0.244 63 V C 2.424 178.594 176.094 0.127 0.000 1.041 63 V CA 1.478 63.858 62.300 0.132 0.000 1.025 63 V CB -0.769 31.150 31.823 0.160 0.000 0.656 63 V HN 0.472 nan 8.190 nan 0.000 0.451 64 I N 0.255 120.919 120.570 0.157 0.000 2.315 64 I HA -0.270 3.901 4.170 0.002 0.000 0.251 64 I C 2.180 178.346 176.117 0.083 0.000 1.125 64 I CA 1.613 62.985 61.300 0.121 0.000 1.392 64 I CB -0.437 37.640 38.000 0.128 0.000 1.065 64 I HN 0.367 nan 8.210 nan 0.000 0.424 65 D N 0.578 121.027 120.400 0.082 0.000 2.149 65 D HA -0.086 4.555 4.640 0.002 0.000 0.206 65 D C 1.889 178.224 176.300 0.058 0.000 0.967 65 D CA 0.876 54.911 54.000 0.059 0.000 0.848 65 D CB -0.303 40.529 40.800 0.054 0.000 0.998 65 D HN 0.279 nan 8.370 nan 0.000 0.474 66 N N 1.466 120.203 118.700 0.062 0.000 2.149 66 N HA -0.140 4.601 4.740 0.002 0.000 0.188 66 N C 1.739 177.285 175.510 0.061 0.000 1.019 66 N CA 1.104 54.188 53.050 0.057 0.000 0.857 66 N CB -0.341 38.180 38.487 0.056 0.000 0.997 66 N HN 0.120 nan 8.380 nan 0.000 0.426 67 A N 1.710 124.573 122.820 0.071 0.000 1.845 67 A HA -0.094 4.228 4.320 0.002 0.000 0.215 67 A C 2.243 179.871 177.584 0.072 0.000 1.195 67 A CA 1.073 53.155 52.037 0.074 0.000 0.616 67 A CB -0.394 18.658 19.000 0.087 0.000 0.832 67 A HN 0.066 nan 8.150 nan 0.000 0.443 68 R N -0.256 120.285 120.500 0.069 0.000 2.139 68 R HA -0.112 4.230 4.340 0.002 0.000 0.243 68 R C 2.039 178.372 176.300 0.055 0.000 1.145 68 R CA 1.254 57.391 56.100 0.062 0.000 0.976 68 R CB -0.379 29.950 30.300 0.049 0.000 0.866 68 R HN 0.442 nan 8.270 nan 0.000 0.449 69 K N 0.231 120.663 120.400 0.053 0.000 2.025 69 K HA -0.050 4.271 4.320 0.002 0.000 0.207 69 K C 1.991 178.627 176.600 0.061 0.000 1.049 69 K CA 1.587 57.904 56.287 0.051 0.000 0.933 69 K CB -0.160 32.368 32.500 0.047 0.000 0.714 69 K HN 0.134 nan 8.250 nan 0.000 0.438 70 S N 1.679 117.419 115.700 0.067 0.000 2.392 70 S HA -0.187 4.284 4.470 0.002 0.000 0.232 70 S C 1.743 176.400 174.600 0.095 0.000 1.041 70 S CA 1.432 59.680 58.200 0.080 0.000 1.026 70 S CB -0.323 62.921 63.200 0.073 0.000 0.845 70 S HN 0.400 nan 8.310 nan 0.000 0.465 71 E N 0.960 121.207 120.200 0.078 0.000 2.047 71 E HA -0.141 4.210 4.350 0.002 0.000 0.191 71 E C 2.174 178.804 176.600 0.052 0.000 0.987 71 E CA 0.979 57.420 56.400 0.069 0.000 0.799 71 E CB -0.183 29.552 29.700 0.058 0.000 0.752 71 E HN 0.397 nan 8.360 nan 0.000 0.449 72 E N 1.248 121.477 120.200 0.048 0.000 2.012 72 E HA -0.177 4.174 4.350 0.002 0.000 0.197 72 E C 2.086 178.716 176.600 0.050 0.000 1.007 72 E CA 0.876 57.298 56.400 0.036 0.000 0.816 72 E CB -0.359 29.363 29.700 0.037 0.000 0.762 72 E HN 0.069 nan 8.360 nan 0.000 0.451 73 L N -1.457 119.815 121.223 0.081 0.000 2.051 73 L HA -0.168 4.173 4.340 0.002 0.000 0.214 73 L C 0.375 177.373 176.870 0.214 0.000 1.076 73 L CA 1.443 56.356 54.840 0.122 0.000 0.758 73 L CB -0.058 42.071 42.059 0.116 0.000 0.890 73 L HN 0.217 nan 8.230 nan 0.000 0.433 74 Y N -1.794 118.528 120.300 0.037 0.000 2.252 74 Y HA 0.156 4.707 4.550 0.002 0.000 0.321 74 Y C -1.940 173.991 175.900 0.052 0.000 1.208 74 Y CA -1.855 56.270 58.100 0.043 0.000 1.258 74 Y CB 0.985 39.467 38.460 0.037 0.000 1.235 74 Y HN -0.209 nan 8.280 nan 0.000 0.408 75 P HA -0.205 nan 4.420 nan 0.000 0.212 75 P C 1.278 178.631 177.300 0.089 0.000 1.174 75 P CA 3.023 66.112 63.100 -0.019 0.000 0.934 75 P CB 0.169 31.824 31.700 -0.076 0.000 0.791 76 G N 0.475 109.350 108.800 0.125 0.000 2.815 76 G HA2 -0.287 3.674 3.960 0.002 0.000 0.326 76 G HA3 -0.287 3.674 3.960 0.002 0.000 0.326 76 G C 0.001 175.018 174.900 0.196 0.000 1.191 76 G CA 0.578 45.813 45.100 0.225 0.000 0.965 76 G HN 0.446 nan 8.290 nan 0.000 0.564 77 R N 1.118 121.701 120.500 0.138 0.000 2.513 77 R HA 0.433 4.774 4.340 0.002 0.000 0.301 77 R C -2.823 173.530 176.300 0.089 0.000 0.968 77 R CA -1.921 54.246 56.100 0.112 0.000 0.872 77 R CB 1.937 32.279 30.300 0.070 0.000 1.177 77 R HN 0.232 nan 8.270 nan 0.000 0.444 78 P HA -0.180 nan 4.420 nan 0.000 0.148 78 P C 0.208 177.571 177.300 0.104 0.000 0.756 78 P CA 0.408 63.569 63.100 0.102 0.000 1.236 78 P CB -0.118 31.602 31.700 0.033 0.000 1.438 79 L N 2.356 123.606 121.223 0.045 0.000 2.660 79 L HA 0.086 4.427 4.340 0.002 0.000 0.272 79 L C 0.474 177.363 176.870 0.031 0.000 1.194 79 L CA 0.374 55.228 54.840 0.024 0.000 0.945 79 L CB -0.390 41.700 42.059 0.052 0.000 1.212 79 L HN 0.222 nan 8.230 nan 0.000 0.490 80 A N 6.980 129.805 122.820 0.008 0.000 2.286 80 A HA 0.684 5.005 4.320 0.002 0.000 0.286 80 A C -0.202 177.526 177.584 0.241 0.000 1.097 80 A CA -0.544 51.495 52.037 0.003 0.000 0.821 80 A CB 0.715 19.720 19.000 0.007 0.000 1.076 80 A HN 0.753 nan 8.150 nan 0.000 0.490 81 I N 1.144 122.048 120.570 0.556 0.000 2.476 81 I HA 0.473 4.645 4.170 0.002 0.000 0.281 81 I C 0.319 176.474 176.117 0.063 0.000 1.040 81 I CA -0.137 61.288 61.300 0.210 0.000 1.094 81 I CB 1.640 39.689 38.000 0.082 0.000 1.219 81 I HN 0.710 nan 8.210 nan 0.000 0.450 82 A N 6.639 129.410 122.820 -0.082 0.000 2.294 82 A HA 0.837 5.159 4.320 0.002 0.000 0.330 82 A C -0.948 176.434 177.584 -0.337 0.000 1.133 82 A CA -0.537 51.280 52.037 -0.366 0.000 0.836 82 A CB 1.402 19.880 19.000 -0.870 0.000 1.190 82 A HN 0.744 nan 8.150 nan 0.000 0.492 83 L N 1.607 122.577 121.223 -0.421 0.000 2.353 83 L HA 0.325 4.666 4.340 0.002 0.000 0.270 83 L C -0.913 175.777 176.870 -0.301 0.000 1.003 83 L CA -0.485 54.166 54.840 -0.316 0.000 0.862 83 L CB 0.938 42.780 42.059 -0.362 0.000 1.221 83 L HN 0.713 nan 8.230 nan 0.000 0.430 84 D N 4.033 124.352 120.400 -0.136 0.000 2.374 84 D HA 0.062 4.703 4.640 0.002 0.000 0.240 84 D C 0.166 176.486 176.300 0.033 0.000 1.229 84 D CA -0.013 54.003 54.000 0.027 0.000 0.895 84 D CB 0.969 41.859 40.800 0.150 0.000 1.046 84 D HN 0.595 nan 8.370 nan 0.000 0.498 85 T N 1.029 115.578 114.554 -0.008 0.000 2.937 85 T HA -0.029 4.322 4.350 0.002 0.000 0.316 85 T C 0.535 175.285 174.700 0.083 0.000 1.079 85 T CA -0.478 61.623 62.100 0.001 0.000 1.131 85 T CB 1.145 70.011 68.868 -0.003 0.000 1.000 85 T HN 0.308 nan 8.240 nan 0.000 0.549 86 K N 2.680 123.135 120.400 0.091 0.000 2.265 86 K HA 0.312 4.634 4.320 0.002 0.000 0.242 86 K C 1.070 177.712 176.600 0.070 0.000 1.137 86 K CA -0.626 55.713 56.287 0.087 0.000 1.082 86 K CB -0.524 32.014 32.500 0.063 0.000 1.731 86 K HN 0.885 nan 8.250 nan 0.000 0.392 87 G N 3.015 111.894 108.800 0.132 0.000 2.378 87 G HA2 -0.110 3.851 3.960 0.002 0.000 0.334 87 G HA3 -0.110 3.851 3.960 0.002 0.000 0.334 87 G C -1.934 172.918 174.900 -0.080 0.000 1.339 87 G CA -0.706 44.452 45.100 0.097 0.000 1.158 87 G HN 0.529 nan 8.290 nan 0.000 0.636 88 P HA 0.143 nan 4.420 nan 0.000 0.241 88 P C -0.329 176.631 177.300 -0.566 0.000 1.760 88 P CA 0.168 63.080 63.100 -0.314 0.000 1.081 88 P CB -0.450 31.096 31.700 -0.256 0.000 1.975 89 E N 2.726 122.634 120.200 -0.486 0.000 2.248 89 E HA 0.435 4.786 4.350 0.002 0.000 0.272 89 E C -0.456 175.958 176.600 -0.310 0.000 1.008 89 E CA -1.042 55.049 56.400 -0.516 0.000 0.856 89 E CB 1.026 30.524 29.700 -0.335 0.000 1.120 89 E HN 0.011 nan 8.360 nan 0.000 0.397 90 I N 1.448 121.868 120.570 -0.249 0.000 2.577 90 I HA 0.482 4.654 4.170 0.002 0.000 0.305 90 I C 0.379 176.423 176.117 -0.121 0.000 0.986 90 I CA -0.778 60.428 61.300 -0.157 0.000 1.189 90 I CB 0.993 38.942 38.000 -0.084 0.000 1.355 90 I HN 0.660 nan 8.210 nan 0.000 0.476 91 R N 1.362 121.782 120.500 -0.133 0.000 2.604 91 R HA 0.386 4.727 4.340 0.002 0.000 0.270 91 R C -0.626 175.541 176.300 -0.221 0.000 1.052 91 R CA -0.622 55.374 56.100 -0.175 0.000 0.902 91 R CB 2.653 32.816 30.300 -0.229 0.000 1.233 91 R HN 0.845 nan 8.270 nan 0.000 0.455 92 T N -0.703 113.723 114.554 -0.214 0.000 2.828 92 T HA 0.389 4.740 4.350 0.002 0.000 0.290 92 T C 0.920 175.515 174.700 -0.175 0.000 1.019 92 T CA -0.418 61.574 62.100 -0.181 0.000 1.031 92 T CB 1.302 70.093 68.868 -0.130 0.000 1.001 92 T HN 0.615 nan 8.240 nan 0.000 0.531 93 G N 0.383 109.192 108.800 0.016 0.000 2.489 93 G HA2 0.506 4.468 3.960 0.002 0.000 0.271 93 G HA3 0.506 4.468 3.960 0.002 0.000 0.271 93 G C -0.436 174.640 174.900 0.294 0.000 1.427 93 G CA -0.766 44.425 45.100 0.151 0.000 1.057 93 G HN 0.884 nan 8.290 nan 0.000 0.532 94 T N 0.051 114.706 114.554 0.168 0.000 2.867 94 T HA 0.496 4.847 4.350 0.002 0.000 0.282 94 T C 0.887 175.608 174.700 0.034 0.000 1.000 94 T CA -0.111 62.023 62.100 0.056 0.000 1.042 94 T CB 1.343 70.163 68.868 -0.080 0.000 0.973 94 T HN 0.846 nan 8.240 nan 0.000 0.465 95 T N 0.221 114.796 114.554 0.034 0.000 2.640 95 T HA 0.043 4.394 4.350 0.002 0.000 0.316 95 T C 1.833 176.547 174.700 0.023 0.000 1.036 95 T CA 0.359 62.484 62.100 0.041 0.000 1.009 95 T CB -0.079 68.814 68.868 0.041 0.000 1.017 95 T HN 0.665 nan 8.240 nan 0.000 0.530 96 T N 0.860 115.434 114.554 0.033 0.000 2.580 96 T HA -0.155 4.197 4.350 0.002 0.000 0.265 96 T C 0.761 175.462 174.700 0.002 0.000 1.063 96 T CA 1.569 63.682 62.100 0.021 0.000 1.170 96 T CB -0.801 68.085 68.868 0.031 0.000 0.863 96 T HN 0.908 nan 8.240 nan 0.000 0.418 97 N N 0.882 119.584 118.700 0.003 0.000 2.687 97 N HA 0.324 5.065 4.740 0.002 0.000 0.275 97 N C -1.464 174.043 175.510 -0.005 0.000 1.789 97 N CA -0.533 52.513 53.050 -0.007 0.000 0.806 97 N CB 0.238 38.722 38.487 -0.005 0.000 1.256 97 N HN 0.257 nan 8.380 nan 0.000 0.500 103 I N 3.153 123.771 120.570 0.080 0.000 2.347 103 I HA 0.295 4.466 4.170 0.002 0.000 0.283 103 I C -2.244 173.938 176.117 0.108 0.000 1.058 103 I CA -1.880 59.469 61.300 0.081 0.000 1.202 103 I CB 1.257 39.288 38.000 0.051 0.000 1.386 103 I HN -0.015 nan 8.210 nan 0.000 0.475 104 P HA 0.178 nan 4.420 nan 0.000 0.271 104 P C -2.155 175.187 177.300 0.071 0.000 1.220 104 P CA -1.242 61.986 63.100 0.214 0.000 0.768 104 P CB 0.462 32.211 31.700 0.082 0.000 0.848 105 P HA 0.106 nan 4.420 nan 0.000 0.236 105 P C 0.328 177.604 177.300 -0.040 0.000 1.174 105 P CA 0.796 63.905 63.100 0.015 0.000 0.840 105 P CB 0.512 32.232 31.700 0.033 0.000 0.947 106 N N -2.090 116.581 118.700 -0.048 0.000 2.804 106 N HA -0.041 4.700 4.740 0.002 0.000 0.190 106 N C -0.393 175.063 175.510 -0.091 0.000 1.303 106 N CA -0.192 52.791 53.050 -0.111 0.000 2.109 106 N CB -1.184 37.263 38.487 -0.068 0.000 1.106 106 N HN 0.111 nan 8.380 nan 0.000 0.740 107 H N 0.236 119.254 119.070 -0.087 0.000 2.551 107 H HA 0.437 4.992 4.556 -0.001 0.000 0.358 107 H C 0.257 175.547 175.328 -0.062 0.000 1.151 107 H CA -0.306 55.708 56.048 -0.058 0.000 1.374 107 H CB 0.705 30.451 29.762 -0.026 0.000 1.473 107 H HN 0.184 nan 8.280 nan 0.000 0.574 108 E N 3.693 123.886 120.200 -0.013 0.000 2.322 108 E HA 0.402 4.753 4.350 0.002 0.000 0.257 108 E C -0.081 176.558 176.600 0.065 0.000 1.155 108 E CA -0.915 55.444 56.400 -0.068 0.000 0.936 108 E CB 1.509 31.191 29.700 -0.031 0.000 1.130 108 E HN 0.838 nan 8.360 nan 0.000 0.465 109 M N -1.314 118.285 119.600 -0.000 0.000 2.918 109 M HA 0.405 4.886 4.480 0.002 0.000 0.272 109 M C -1.669 174.615 176.300 -0.026 0.000 1.082 109 M CA -0.973 54.374 55.300 0.078 0.000 0.799 109 M CB 0.902 33.641 32.600 0.231 0.000 1.659 109 M HN 0.533 nan 8.290 nan 0.000 0.533 110 I N 1.371 121.965 120.570 0.041 0.000 2.612 110 I HA 0.643 4.814 4.170 0.002 0.000 0.295 110 I C -1.656 174.594 176.117 0.220 0.000 1.011 110 I CA -0.046 61.264 61.300 0.017 0.000 1.326 110 I CB 0.880 38.857 38.000 -0.038 0.000 1.427 110 I HN 0.526 nan 8.210 nan 0.000 0.537 111 F N 5.278 125.113 119.950 -0.192 0.000 2.496 111 F HA 0.450 4.977 4.527 -0.000 0.000 0.341 111 F C 0.140 175.732 175.800 -0.346 0.000 1.134 111 F CA -0.828 57.016 58.000 -0.260 0.000 0.968 111 F CB 1.420 40.271 39.000 -0.248 0.000 1.205 111 F HN 0.525 nan 8.300 nan 0.000 0.436 112 T N -1.583 112.714 114.554 -0.427 0.000 2.922 112 T HA 0.675 5.026 4.350 0.002 0.000 0.281 112 T C 0.434 174.529 174.700 -1.008 0.000 1.005 112 T CA -0.543 61.182 62.100 -0.625 0.000 0.982 112 T CB 1.827 70.327 68.868 -0.614 0.000 1.158 112 T HN 0.494 nan 8.240 nan 0.000 0.566 113 T N -2.684 111.481 114.554 -0.649 0.000 3.641 113 T HA 0.194 4.546 4.350 0.002 0.000 0.313 113 T C 0.099 174.859 174.700 0.100 0.000 0.952 113 T CA -0.403 61.501 62.100 -0.327 0.000 1.004 113 T CB -0.344 68.438 68.868 -0.143 0.000 1.209 113 T HN 0.792 nan 8.240 nan 0.000 0.493 114 D N 1.368 121.946 120.400 0.296 0.000 2.463 114 D HA 0.082 4.723 4.640 0.002 0.000 0.224 114 D C 0.153 176.685 176.300 0.387 0.000 1.174 114 D CA -0.060 54.142 54.000 0.337 0.000 0.829 114 D CB -0.178 40.774 40.800 0.253 0.000 0.993 114 D HN 0.357 nan 8.370 nan 0.000 0.497 115 D N 0.920 121.615 120.400 0.493 0.000 2.531 115 D HA -0.268 4.374 4.640 0.002 0.000 0.176 115 D C 1.401 177.610 176.300 -0.153 0.000 1.217 115 D CA 1.256 55.243 54.000 -0.021 0.000 1.125 115 D CB -0.788 40.027 40.800 0.026 0.000 1.148 115 D HN 0.379 nan 8.370 nan 0.000 0.430 116 K N -0.248 120.198 120.400 0.076 0.000 2.113 116 K HA -0.180 4.141 4.320 0.002 0.000 0.208 116 K C 1.450 177.840 176.600 -0.351 0.000 1.047 116 K CA 1.651 57.862 56.287 -0.126 0.000 0.928 116 K CB -0.162 32.267 32.500 -0.118 0.000 0.716 116 K HN 0.416 nan 8.250 nan 0.000 0.446 117 Y N -1.325 118.881 120.300 -0.156 0.000 2.481 117 Y HA 0.287 4.838 4.550 0.002 0.000 0.247 117 Y C 1.622 177.192 175.900 -0.551 0.000 1.151 117 Y CA -0.124 57.883 58.100 -0.155 0.000 1.238 117 Y CB -0.158 38.447 38.460 0.240 0.000 1.179 117 Y HN -0.032 nan 8.280 nan 0.000 0.524 118 A N 1.175 123.423 122.820 -0.953 0.000 1.997 118 A HA -0.259 4.062 4.320 0.002 0.000 0.221 118 A C 1.569 178.991 177.584 -0.269 0.000 1.172 118 A CA 2.121 53.675 52.037 -0.805 0.000 0.645 118 A CB -0.436 18.227 19.000 -0.563 0.000 0.813 118 A HN 0.394 nan 8.150 nan 0.000 0.454 119 K N -1.736 118.552 120.400 -0.187 0.000 2.726 119 K HA 0.711 5.032 4.320 0.002 0.000 0.209 119 K C 0.145 176.711 176.600 -0.057 0.000 1.082 119 K CA 0.681 56.909 56.287 -0.097 0.000 1.081 119 K CB 0.309 32.752 32.500 -0.096 0.000 0.830 119 K HN 0.302 nan 8.250 nan 0.000 0.470 120 A N -0.076 122.730 122.820 -0.023 0.000 2.736 120 A HA 0.142 4.464 4.320 0.002 0.000 0.222 120 A C 0.309 177.954 177.584 0.101 0.000 1.267 120 A CA -0.329 51.725 52.037 0.028 0.000 1.026 120 A CB -0.798 18.207 19.000 0.009 0.000 1.281 120 A HN 0.490 nan 8.150 nan 0.000 0.577 121 C N 0.666 120.041 119.300 0.125 0.000 2.596 121 C HA 0.555 5.016 4.460 0.002 0.000 0.414 121 C C -0.246 174.823 174.990 0.132 0.000 1.396 121 C CA -0.208 58.917 59.018 0.178 0.000 1.698 121 C CB -0.305 27.553 27.740 0.196 0.000 2.572 121 C HN 0.511 nan 8.230 nan 0.000 0.604 122 D N 2.063 122.548 120.400 0.143 0.000 2.795 122 D HA 0.170 4.811 4.640 0.002 0.000 0.206 122 D C 0.239 176.623 176.300 0.140 0.000 1.278 122 D CA 0.008 54.083 54.000 0.125 0.000 0.839 122 D CB 1.291 42.148 40.800 0.094 0.000 1.700 122 D HN 0.885 nan 8.370 nan 0.000 0.549 123 D N 1.640 122.141 120.400 0.167 0.000 4.581 123 D HA -0.273 4.368 4.640 0.002 0.000 0.261 123 D C 0.600 177.038 176.300 0.230 0.000 0.490 123 D CA 1.881 55.996 54.000 0.192 0.000 1.265 123 D CB -0.261 40.583 40.800 0.073 0.000 0.776 123 D HN 0.577 nan 8.370 nan 0.000 0.351 124 K N 1.255 121.737 120.400 0.137 0.000 2.665 124 K HA 0.167 4.488 4.320 0.002 0.000 0.196 124 K C 0.886 177.565 176.600 0.132 0.000 1.021 124 K CA 0.446 56.809 56.287 0.127 0.000 1.066 124 K CB 0.061 32.606 32.500 0.075 0.000 0.849 124 K HN 0.510 nan 8.250 nan 0.000 0.500 125 I N -1.040 119.633 120.570 0.171 0.000 2.608 125 I HA 0.205 4.376 4.170 0.002 0.000 0.303 125 I C -2.140 174.080 176.117 0.172 0.000 1.865 125 I CA -0.580 60.802 61.300 0.138 0.000 0.936 125 I CB 1.794 39.825 38.000 0.051 0.000 1.476 125 I HN -0.031 nan 8.210 nan 0.000 0.610 126 M N 4.590 124.258 119.600 0.112 0.000 2.449 126 M HA 0.353 4.834 4.480 0.002 0.000 0.291 126 M C -2.242 173.917 176.300 -0.235 0.000 1.148 126 M CA -0.341 54.940 55.300 -0.033 0.000 0.925 126 M CB 1.622 34.139 32.600 -0.138 0.000 1.767 126 M HN 0.648 nan 8.290 nan 0.000 0.503 127 Y N 1.612 121.743 120.300 -0.283 0.000 2.432 127 Y HA 0.749 5.299 4.550 0.001 0.000 0.322 127 Y C -0.008 175.675 175.900 -0.362 0.000 1.246 127 Y CA -0.098 57.845 58.100 -0.262 0.000 1.268 127 Y CB 1.660 40.064 38.460 -0.093 0.000 1.276 127 Y HN 0.431 nan 8.280 nan 0.000 0.499 128 V N -1.111 118.678 119.914 -0.208 0.000 2.851 128 V HA 0.364 4.486 4.120 0.002 0.000 0.307 128 V C -0.320 175.749 176.094 -0.043 0.000 1.129 128 V CA -1.081 61.110 62.300 -0.182 0.000 0.932 128 V CB 1.829 33.503 31.823 -0.248 0.000 1.024 128 V HN 0.657 nan 8.190 nan 0.000 0.426 129 D N 0.907 121.284 120.400 -0.039 0.000 2.106 129 D HA -0.136 4.505 4.640 0.002 0.000 0.191 129 D C 0.730 177.069 176.300 0.064 0.000 0.997 129 D CA 1.977 55.972 54.000 -0.008 0.000 0.834 129 D CB -0.184 40.572 40.800 -0.074 0.000 0.956 129 D HN 0.670 nan 8.370 nan 0.000 0.448 130 Y N 2.435 122.689 120.300 -0.078 0.000 2.854 130 Y HA -0.107 4.443 4.550 0.001 0.000 0.372 130 Y C 1.328 177.195 175.900 -0.054 0.000 1.330 130 Y CA -0.111 57.951 58.100 -0.064 0.000 1.765 130 Y CB -0.327 38.093 38.460 -0.066 0.000 1.277 130 Y HN -0.066 nan 8.280 nan 0.000 0.498 131 K N 2.533 123.092 120.400 0.264 0.000 2.211 131 K HA -0.140 4.182 4.320 0.002 0.000 0.203 131 K C 0.923 177.545 176.600 0.036 0.000 1.050 131 K CA 0.890 57.243 56.287 0.110 0.000 0.945 131 K CB 0.284 32.845 32.500 0.103 0.000 0.732 131 K HN 0.433 nan 8.250 nan 0.000 0.451 132 N N 1.258 119.995 118.700 0.061 0.000 2.270 132 N HA 0.062 4.804 4.740 0.002 0.000 0.198 132 N C 1.219 176.361 175.510 -0.614 0.000 1.117 132 N CA -0.051 52.901 53.050 -0.163 0.000 0.845 132 N CB 0.095 38.606 38.487 0.040 0.000 0.980 132 N HN 0.148 nan 8.380 nan 0.000 0.486 133 I N 0.001 120.068 120.570 -0.839 0.000 2.315 133 I HA -0.298 3.873 4.170 0.002 0.000 0.251 133 I C 2.055 177.936 176.117 -0.393 0.000 1.125 133 I CA 1.241 62.047 61.300 -0.822 0.000 1.392 133 I CB -0.079 37.687 38.000 -0.390 0.000 1.065 133 I HN 0.075 nan 8.210 nan 0.000 0.424 134 T N -0.604 113.795 114.554 -0.259 0.000 2.897 134 T HA -0.240 4.111 4.350 0.002 0.000 0.271 134 T C 1.797 176.411 174.700 -0.143 0.000 1.084 134 T CA 1.961 63.966 62.100 -0.158 0.000 1.123 134 T CB -0.131 68.669 68.868 -0.112 0.000 0.865 134 T HN 0.319 nan 8.240 nan 0.000 0.496 135 K N -0.134 120.159 120.400 -0.178 0.000 2.168 135 K HA 0.295 4.616 4.320 0.002 0.000 0.201 135 K C 2.034 178.562 176.600 -0.119 0.000 1.049 135 K CA 0.711 56.925 56.287 -0.123 0.000 0.974 135 K CB -0.609 31.832 32.500 -0.098 0.000 0.792 135 K HN 0.189 nan 8.250 nan 0.000 0.463 136 V N 0.471 120.274 119.914 -0.185 0.000 2.379 136 V HA 0.135 4.256 4.120 0.002 0.000 0.245 136 V C 0.898 176.942 176.094 -0.084 0.000 1.044 136 V CA 0.867 63.096 62.300 -0.118 0.000 1.036 136 V CB 0.061 31.809 31.823 -0.126 0.000 0.664 136 V HN 0.259 nan 8.190 nan 0.000 0.453 137 I N 0.330 120.830 120.570 -0.117 0.000 2.532 137 I HA 0.324 4.495 4.170 0.002 0.000 0.292 137 I C -0.073 176.009 176.117 -0.058 0.000 1.014 137 I CA 0.248 61.508 61.300 -0.067 0.000 1.340 137 I CB 1.313 39.273 38.000 -0.067 0.000 1.422 137 I HN 0.343 nan 8.210 nan 0.000 0.528 138 S N 4.946 120.625 115.700 -0.036 0.000 2.661 138 S HA 0.712 5.183 4.470 0.002 0.000 0.285 138 S C -0.462 174.121 174.600 -0.029 0.000 1.138 138 S CA -0.854 57.326 58.200 -0.033 0.000 0.855 138 S CB 1.445 64.631 63.200 -0.024 0.000 1.136 138 S HN 0.836 nan 8.310 nan 0.000 0.484 139 A N 0.145 122.947 122.820 -0.031 0.000 2.587 139 A HA 0.478 4.800 4.320 0.002 0.000 0.233 139 A C 1.540 179.112 177.584 -0.021 0.000 1.049 139 A CA 0.720 52.739 52.037 -0.031 0.000 0.754 139 A CB -1.255 17.727 19.000 -0.030 0.000 0.977 139 A HN 2.294 nan 8.150 nan 0.000 0.509 140 G N 1.359 110.147 108.800 -0.021 0.000 2.258 140 G HA2 -0.208 3.753 3.960 0.002 0.000 0.233 140 G HA3 -0.208 3.753 3.960 0.002 0.000 0.233 140 G C 0.487 175.388 174.900 0.001 0.000 1.006 140 G CA 0.215 45.308 45.100 -0.011 0.000 0.620 140 G HN 0.881 nan 8.290 nan 0.000 0.511 141 R N 0.536 121.038 120.500 0.003 0.000 2.491 141 R HA 0.492 4.833 4.340 0.002 0.000 0.283 141 R C 0.451 176.771 176.300 0.034 0.000 1.072 141 R CA 0.030 56.144 56.100 0.024 0.000 1.048 141 R CB 0.613 30.926 30.300 0.022 0.000 0.983 141 R HN 0.407 nan 8.270 nan 0.000 0.450 142 I N 3.507 124.117 120.570 0.066 0.000 2.566 142 I HA 0.349 4.520 4.170 0.002 0.000 0.303 142 I C 0.261 176.454 176.117 0.126 0.000 0.983 142 I CA -0.575 60.768 61.300 0.071 0.000 1.235 142 I CB 1.110 39.162 38.000 0.087 0.000 1.386 142 I HN 0.362 nan 8.210 nan 0.000 0.494 143 I N 5.093 125.731 120.570 0.113 0.000 2.497 143 I HA 0.262 4.433 4.170 0.002 0.000 0.284 143 I C -1.098 175.125 176.117 0.176 0.000 1.060 143 I CA -0.513 60.893 61.300 0.177 0.000 1.071 143 I CB 1.018 39.101 38.000 0.139 0.000 1.216 143 I HN 0.316 nan 8.210 nan 0.000 0.442 144 Y N 5.006 125.402 120.300 0.159 0.000 2.304 144 Y HA 0.550 5.102 4.550 0.003 0.000 0.327 144 Y C 0.266 176.258 175.900 0.154 0.000 1.209 144 Y CA -0.429 57.770 58.100 0.164 0.000 1.299 144 Y CB 1.330 39.858 38.460 0.113 0.000 1.249 144 Y HN 0.198 nan 8.280 nan 0.000 0.519 145 V N 3.377 123.465 119.914 0.290 0.000 2.638 145 V HA 0.236 4.357 4.120 0.002 0.000 0.306 145 V C -0.713 175.494 176.094 0.188 0.000 1.052 145 V CA -1.385 61.039 62.300 0.206 0.000 0.885 145 V CB 1.667 33.610 31.823 0.200 0.000 0.999 145 V HN 0.940 nan 8.190 nan 0.000 0.424 146 D N 4.877 125.364 120.400 0.146 0.000 4.844 146 D HA -0.180 4.461 4.640 0.002 0.000 0.239 146 D C 0.452 176.835 176.300 0.138 0.000 1.115 146 D CA 1.080 55.157 54.000 0.129 0.000 1.241 146 D CB -0.086 40.786 40.800 0.119 0.000 0.748 146 D HN 1.036 nan 8.370 nan 0.000 0.368 147 D N 2.683 123.156 120.400 0.122 0.000 3.018 147 D HA -0.202 4.440 4.640 0.002 0.000 0.224 147 D C 0.827 177.201 176.300 0.124 0.000 1.185 147 D CA 3.106 57.170 54.000 0.105 0.000 0.858 147 D CB -1.380 39.476 40.800 0.094 0.000 1.112 147 D HN 1.640 nan 8.370 nan 0.000 0.415 148 G N -1.612 107.299 108.800 0.186 0.000 2.333 148 G HA2 -0.227 3.734 3.960 0.002 0.000 0.296 148 G HA3 -0.227 3.734 3.960 0.002 0.000 0.296 148 G C 0.966 176.099 174.900 0.390 0.000 1.059 148 G CA 0.402 45.691 45.100 0.314 0.000 1.050 148 G HN 0.670 nan 8.290 nan 0.000 0.508 149 V N -0.220 119.865 119.914 0.285 0.000 2.599 149 V HA 0.308 4.430 4.120 0.002 0.000 0.237 149 V C 1.587 177.757 176.094 0.128 0.000 1.081 149 V CA 0.946 63.361 62.300 0.191 0.000 1.107 149 V CB -0.115 31.788 31.823 0.133 0.000 0.808 149 V HN 0.341 nan 8.190 nan 0.000 0.486 150 L N 1.946 123.242 121.223 0.122 0.000 2.369 150 L HA 0.267 4.608 4.340 0.002 0.000 0.279 150 L C 0.075 176.914 176.870 -0.052 0.000 1.108 150 L CA 0.692 55.560 54.840 0.046 0.000 0.852 150 L CB 0.908 43.089 42.059 0.204 0.000 1.169 150 L HN 0.229 nan 8.230 nan 0.000 0.452 151 S N 3.806 119.335 115.700 -0.286 0.000 2.442 151 S HA 0.659 5.130 4.470 0.002 0.000 0.297 151 S C -0.510 173.886 174.600 -0.341 0.000 1.131 151 S CA -0.674 57.249 58.200 -0.461 0.000 1.092 151 S CB 0.721 63.587 63.200 -0.557 0.000 0.998 151 S HN 0.191 nan 8.310 nan 0.000 0.478 152 F N 1.260 121.060 119.950 -0.250 0.000 2.541 152 F HA 0.533 5.064 4.527 0.005 0.000 0.331 152 F C 0.706 176.399 175.800 -0.180 0.000 1.057 152 F CA -0.724 57.157 58.000 -0.198 0.000 0.975 152 F CB 1.428 40.322 39.000 -0.176 0.000 1.246 152 F HN 0.399 nan 8.300 nan 0.000 0.484 153 Q N 1.603 121.408 119.800 0.008 0.000 2.533 153 Q HA 0.281 4.623 4.340 0.002 0.000 0.251 153 Q C -1.399 174.570 176.000 -0.051 0.000 0.966 153 Q CA -0.456 55.327 55.803 -0.033 0.000 0.714 153 Q CB 2.033 30.732 28.738 -0.066 0.000 1.284 153 Q HN 0.471 nan 8.270 nan 0.000 0.478 154 V N 5.849 125.733 119.914 -0.050 0.000 2.546 154 V HA -0.182 3.939 4.120 0.002 0.000 0.279 154 V C 1.777 177.830 176.094 -0.068 0.000 0.968 154 V CA 0.967 63.219 62.300 -0.079 0.000 1.157 154 V CB -0.524 31.263 31.823 -0.060 0.000 0.938 154 V HN 0.793 nan 8.190 nan 0.000 0.464 155 L N 3.613 124.788 121.223 -0.081 0.000 2.056 155 L HA 0.030 4.371 4.340 0.002 0.000 0.207 155 L C 0.916 177.753 176.870 -0.054 0.000 1.078 155 L CA 1.272 56.074 54.840 -0.063 0.000 0.749 155 L CB -0.097 41.922 42.059 -0.066 0.000 0.901 155 L HN 0.946 nan 8.230 nan 0.000 0.433 156 E N -2.101 118.062 120.200 -0.062 0.000 2.422 156 E HA 0.302 4.654 4.350 0.002 0.000 0.289 156 E C -1.218 175.347 176.600 -0.059 0.000 0.985 156 E CA -0.753 55.616 56.400 -0.052 0.000 0.812 156 E CB 1.125 30.799 29.700 -0.042 0.000 1.226 156 E HN -0.206 nan 8.360 nan 0.000 0.419 157 V N 3.223 123.105 119.914 -0.052 0.000 2.439 157 V HA 0.138 4.259 4.120 0.002 0.000 0.271 157 V C 0.773 176.838 176.094 -0.047 0.000 1.040 157 V CA -0.091 62.177 62.300 -0.055 0.000 1.002 157 V CB 0.515 32.306 31.823 -0.052 0.000 1.000 157 V HN 0.750 nan 8.190 nan 0.000 0.477 158 V N 1.296 121.180 119.914 -0.050 0.000 3.455 158 V HA 0.089 4.211 4.120 0.002 0.000 0.250 158 V C 1.162 177.233 176.094 -0.038 0.000 1.230 158 V CA 0.153 62.429 62.300 -0.040 0.000 1.105 158 V CB -0.387 31.412 31.823 -0.040 0.000 0.850 158 V HN 0.925 nan 8.190 nan 0.000 0.461 163 L N -1.181 120.004 121.223 -0.062 0.000 2.350 163 L HA 0.727 5.068 4.340 0.002 0.000 0.275 163 L C 0.167 176.973 176.870 -0.106 0.000 1.099 163 L CA -0.631 54.166 54.840 -0.072 0.000 0.808 163 L CB 0.674 42.691 42.059 -0.070 0.000 1.149 163 L HN -0.066 nan 8.230 nan 0.000 0.442 164 K N 2.479 122.811 120.400 -0.114 0.000 2.276 164 K HA 0.577 4.899 4.320 0.002 0.000 0.283 164 K C -0.550 175.929 176.600 -0.202 0.000 1.044 164 K CA -0.345 55.855 56.287 -0.144 0.000 0.944 164 K CB 1.353 33.798 32.500 -0.092 0.000 1.012 164 K HN 0.760 nan 8.250 nan 0.000 0.472 165 V N -0.042 119.695 119.914 -0.295 0.000 3.156 165 V HA 0.698 4.819 4.120 0.002 0.000 0.310 165 V C -1.292 174.702 176.094 -0.167 0.000 1.234 165 V CA -0.970 61.159 62.300 -0.285 0.000 1.065 165 V CB 2.087 33.551 31.823 -0.599 0.000 1.088 165 V HN 0.787 nan 8.190 nan 0.000 0.451 166 K N 0.924 121.271 120.400 -0.088 0.000 2.565 166 K HA 0.723 5.044 4.320 0.002 0.000 0.251 166 K C -0.430 175.945 176.600 -0.375 0.000 0.956 166 K CA 0.005 56.182 56.287 -0.183 0.000 0.809 166 K CB 2.105 34.515 32.500 -0.149 0.000 1.267 166 K HN 1.563 nan 8.250 nan 0.000 0.438 167 A N 3.716 126.140 122.820 -0.660 0.000 2.492 167 A HA 0.263 4.585 4.320 0.002 0.000 0.236 167 A C 0.632 177.914 177.584 -0.502 0.000 1.078 167 A CA 0.106 51.586 52.037 -0.928 0.000 0.773 167 A CB 0.134 18.657 19.000 -0.794 0.000 1.023 167 A HN 0.794 nan 8.150 nan 0.000 0.504 168 L N 0.077 121.030 121.223 -0.449 0.000 2.730 168 L HA 0.191 4.532 4.340 0.002 0.000 0.236 168 L C 0.594 177.342 176.870 -0.202 0.000 1.061 168 L CA 0.035 54.717 54.840 -0.265 0.000 0.898 168 L CB -0.158 41.762 42.059 -0.232 0.000 1.270 168 L HN 0.885 nan 8.230 nan 0.000 0.500 169 N N 0.534 119.098 118.700 -0.226 0.000 2.453 169 N HA 0.496 5.237 4.740 0.002 0.000 0.290 169 N C -0.121 175.311 175.510 -0.130 0.000 1.250 169 N CA -0.090 52.877 53.050 -0.139 0.000 0.815 169 N CB 1.700 40.127 38.487 -0.099 0.000 1.381 169 N HN -0.074 nan 8.380 nan 0.000 0.510 170 A N 0.347 123.126 122.820 -0.068 0.000 2.668 170 A HA 0.592 4.913 4.320 0.002 0.000 0.223 170 A C 0.908 178.479 177.584 -0.022 0.000 1.896 170 A CA 0.746 52.760 52.037 -0.038 0.000 0.922 170 A CB -1.476 17.516 19.000 -0.013 0.000 1.713 170 A HN 1.782 nan 8.150 nan 0.000 0.750 171 G N -1.485 107.321 108.800 0.010 0.000 2.767 171 G HA2 0.022 3.983 3.960 0.002 0.000 0.686 171 G HA3 0.022 3.983 3.960 0.002 0.000 0.686 171 G C -0.448 174.484 174.900 0.053 0.000 1.213 171 G CA -0.028 45.092 45.100 0.032 0.000 0.803 171 G HN 1.084 nan 8.290 nan 0.000 0.603 172 K N 1.502 121.940 120.400 0.063 0.000 2.202 172 K HA 0.617 4.938 4.320 0.002 0.000 0.264 172 K C 0.675 177.339 176.600 0.105 0.000 1.010 172 K CA -0.772 55.563 56.287 0.080 0.000 0.940 172 K CB 1.846 34.385 32.500 0.065 0.000 0.983 172 K HN 0.749 nan 8.250 nan 0.000 0.475 173 I N 3.338 123.986 120.570 0.130 0.000 2.282 173 I HA 0.104 4.275 4.170 0.002 0.000 0.290 173 I C -0.545 175.642 176.117 0.115 0.000 1.090 173 I CA -0.755 60.638 61.300 0.155 0.000 1.231 173 I CB -0.140 37.989 38.000 0.215 0.000 1.434 173 I HN 0.732 nan 8.210 nan 0.000 0.487 174 C N 3.965 123.324 119.300 0.098 0.000 2.644 174 C HA 0.476 4.938 4.460 0.002 0.000 0.330 174 C C 0.997 176.034 174.990 0.078 0.000 1.606 174 C CA -0.479 58.585 59.018 0.077 0.000 2.115 174 C CB 0.899 28.680 27.740 0.068 0.000 1.990 174 C HN 0.805 nan 8.230 nan 0.000 0.581 175 S N -0.955 114.787 115.700 0.071 0.000 2.525 175 S HA 0.428 4.900 4.470 0.002 0.000 0.290 175 S C -0.634 174.060 174.600 0.157 0.000 1.152 175 S CA -0.106 58.151 58.200 0.096 0.000 1.072 175 S CB 0.037 63.264 63.200 0.046 0.000 1.027 175 S HN 0.867 nan 8.310 nan 0.000 0.500 176 H N 0.805 119.867 119.070 -0.013 0.000 2.631 176 H HA -0.060 4.497 4.556 0.001 0.000 0.322 176 H C -0.513 174.814 175.328 -0.001 0.000 1.035 176 H CA 0.993 57.031 56.048 -0.017 0.000 1.070 176 H CB -1.036 28.704 29.762 -0.037 0.000 1.622 176 H HN 0.566 nan 8.280 nan 0.000 0.373 177 K N 0.074 120.498 120.400 0.040 0.000 2.352 177 K HA 0.649 4.970 4.320 0.002 0.000 0.240 177 K C 1.010 177.620 176.600 0.017 0.000 1.017 177 K CA -0.416 55.900 56.287 0.050 0.000 0.851 177 K CB 1.520 34.061 32.500 0.068 0.000 1.261 177 K HN 0.328 nan 8.250 nan 0.000 0.451 178 G N 0.021 108.852 108.800 0.053 0.000 2.442 178 G HA2 0.342 4.303 3.960 0.002 0.000 0.249 178 G HA3 0.342 4.303 3.960 0.002 0.000 0.249 178 G C -0.487 174.439 174.900 0.043 0.000 1.263 178 G CA -0.420 44.706 45.100 0.044 0.000 0.846 178 G HN 0.162 nan 8.290 nan 0.000 0.555 179 V N 3.784 123.707 119.914 0.015 0.000 2.266 179 V HA 0.195 4.316 4.120 0.002 0.000 0.271 179 V C 0.004 176.141 176.094 0.071 0.000 1.032 179 V CA -1.272 61.045 62.300 0.029 0.000 0.806 179 V CB 0.583 32.386 31.823 -0.033 0.000 1.052 179 V HN 0.660 nan 8.190 nan 0.000 0.449 180 N N 4.702 123.484 118.700 0.137 0.000 2.408 180 N HA 0.417 5.158 4.740 0.002 0.000 0.257 180 N C -0.465 175.164 175.510 0.199 0.000 1.064 180 N CA -0.240 52.905 53.050 0.158 0.000 0.952 180 N CB 1.735 40.322 38.487 0.165 0.000 1.093 180 N HN 0.646 nan 8.380 nan 0.000 0.490 181 L N 2.383 123.701 121.223 0.159 0.000 2.506 181 L HA 0.534 4.875 4.340 0.002 0.000 0.247 181 L C -2.459 174.498 176.870 0.145 0.000 1.141 181 L CA -1.929 53.009 54.840 0.163 0.000 0.973 181 L CB 0.766 42.905 42.059 0.133 0.000 1.319 181 L HN 0.104 nan 8.230 nan 0.000 0.455 182 P HA 0.155 nan 4.420 nan 0.000 0.267 182 P C 1.102 178.461 177.300 0.099 0.000 1.200 182 P CA 0.658 63.822 63.100 0.108 0.000 0.772 182 P CB 0.931 32.680 31.700 0.081 0.000 0.855 183 G N 0.754 109.599 108.800 0.075 0.000 2.143 183 G HA2 -0.170 3.791 3.960 0.002 0.000 0.248 183 G HA3 -0.170 3.791 3.960 0.002 0.000 0.248 183 G C -0.161 174.775 174.900 0.060 0.000 0.991 183 G CA 0.177 45.314 45.100 0.062 0.000 0.689 183 G HN 0.684 nan 8.290 nan 0.000 0.522 184 T N -0.384 114.213 114.554 0.072 0.000 2.881 184 T HA 0.463 4.814 4.350 0.002 0.000 0.291 184 T C -0.772 173.978 174.700 0.084 0.000 0.990 184 T CA -0.288 61.854 62.100 0.070 0.000 0.976 184 T CB 2.073 70.986 68.868 0.075 0.000 0.970 184 T HN 0.214 nan 8.240 nan 0.000 0.438 185 D N 3.645 124.088 120.400 0.071 0.000 2.455 185 D HA 0.213 4.854 4.640 0.002 0.000 0.234 185 D C 0.783 177.147 176.300 0.106 0.000 1.224 185 D CA -0.496 53.550 54.000 0.077 0.000 0.999 185 D CB -0.025 40.809 40.800 0.057 0.000 1.072 185 D HN 0.494 nan 8.370 nan 0.000 0.514 186 V N 1.964 121.962 119.914 0.141 0.000 2.585 186 V HA 0.157 4.278 4.120 0.002 0.000 0.296 186 V C 0.695 176.884 176.094 0.158 0.000 1.035 186 V CA -0.268 62.171 62.300 0.232 0.000 1.084 186 V CB 1.027 32.951 31.823 0.170 0.000 0.953 186 V HN 0.501 nan 8.190 nan 0.000 0.483 187 D N 3.399 123.940 120.400 0.235 0.000 2.352 187 D HA 0.164 4.805 4.640 0.002 0.000 0.236 187 D C 0.306 176.650 176.300 0.074 0.000 1.148 187 D CA -0.129 53.954 54.000 0.137 0.000 0.844 187 D CB -0.209 40.676 40.800 0.141 0.000 0.933 187 D HN 0.596 nan 8.370 nan 0.000 0.507 188 L N 0.845 122.055 121.223 -0.023 0.000 2.417 188 L HA 0.363 4.705 4.340 0.002 0.000 0.268 188 L C -1.920 174.907 176.870 -0.071 0.000 1.158 188 L CA -1.881 52.873 54.840 -0.142 0.000 0.819 188 L CB 0.851 42.693 42.059 -0.362 0.000 1.112 188 L HN 0.030 nan 8.230 nan 0.000 0.458 189 P HA 0.178 nan 4.420 nan 0.000 0.290 189 P C -0.207 177.079 177.300 -0.023 0.000 1.276 189 P CA -0.563 62.522 63.100 -0.025 0.000 0.808 189 P CB 1.650 33.341 31.700 -0.015 0.000 0.966 190 A N 3.969 126.794 122.820 0.008 0.000 2.131 190 A HA -0.023 4.298 4.320 0.002 0.000 0.220 190 A C 0.925 178.524 177.584 0.026 0.000 1.158 190 A CA 1.071 53.129 52.037 0.034 0.000 0.665 190 A CB -0.634 18.398 19.000 0.053 0.000 0.795 190 A HN 0.563 nan 8.150 nan 0.000 0.460 191 L N 0.806 122.036 121.223 0.011 0.000 2.406 191 L HA 0.305 4.647 4.340 0.002 0.000 0.270 191 L C 0.073 176.945 176.870 0.002 0.000 0.982 191 L CA -0.595 54.251 54.840 0.010 0.000 0.843 191 L CB 2.056 44.122 42.059 0.013 0.000 1.225 191 L HN 0.301 nan 8.230 nan 0.000 0.412 192 S N 0.823 116.524 115.700 0.001 0.000 2.693 192 S HA 0.321 4.793 4.470 0.002 0.000 0.276 192 S C 0.796 175.406 174.600 0.017 0.000 1.192 192 S CA -0.635 57.565 58.200 -0.001 0.000 0.994 192 S CB 1.924 65.115 63.200 -0.014 0.000 1.012 192 S HN 0.585 nan 8.310 nan 0.000 0.550 193 E N 0.992 121.203 120.200 0.019 0.000 2.097 193 E HA -0.155 4.196 4.350 0.002 0.000 0.196 193 E C 1.800 178.431 176.600 0.050 0.000 1.000 193 E CA 1.482 57.900 56.400 0.031 0.000 0.804 193 E CB -0.173 29.545 29.700 0.030 0.000 0.740 193 E HN 0.683 nan 8.360 nan 0.000 0.454 194 K N 0.722 121.155 120.400 0.055 0.000 2.103 194 K HA -0.151 4.170 4.320 0.002 0.000 0.204 194 K C 1.226 177.885 176.600 0.098 0.000 1.052 194 K CA 1.187 57.527 56.287 0.088 0.000 0.945 194 K CB -0.073 32.469 32.500 0.071 0.000 0.722 194 K HN 0.035 nan 8.250 nan 0.000 0.443 195 D N 1.450 121.886 120.400 0.060 0.000 2.133 195 D HA -0.178 4.463 4.640 0.002 0.000 0.192 195 D C 1.827 178.156 176.300 0.048 0.000 1.001 195 D CA 1.445 55.474 54.000 0.048 0.000 0.844 195 D CB 0.054 40.869 40.800 0.025 0.000 0.944 195 D HN 0.156 nan 8.370 nan 0.000 0.447 196 K N 0.723 121.152 120.400 0.048 0.000 2.063 196 K HA -0.128 4.193 4.320 0.002 0.000 0.208 196 K C 2.098 178.741 176.600 0.072 0.000 1.048 196 K CA 0.935 57.249 56.287 0.044 0.000 0.928 196 K CB -0.149 32.373 32.500 0.036 0.000 0.713 196 K HN 0.148 nan 8.250 nan 0.000 0.442 197 E N 0.442 120.708 120.200 0.110 0.000 2.130 197 E HA -0.206 4.145 4.350 0.002 0.000 0.196 197 E C 1.351 178.089 176.600 0.231 0.000 0.998 197 E CA 1.791 58.281 56.400 0.150 0.000 0.806 197 E CB -0.070 29.754 29.700 0.207 0.000 0.738 197 E HN 0.342 nan 8.360 nan 0.000 0.459 198 D N -0.042 120.504 120.400 0.242 0.000 2.144 198 D HA -0.115 4.527 4.640 0.002 0.000 0.200 198 D C 1.775 178.104 176.300 0.048 0.000 0.978 198 D CA 0.707 54.824 54.000 0.195 0.000 0.833 198 D CB -0.017 40.778 40.800 -0.008 0.000 0.961 198 D HN 0.113 nan 8.370 nan 0.000 0.470 199 L N 0.274 121.502 121.223 0.007 0.000 2.005 199 L HA -0.083 4.258 4.340 0.002 0.000 0.207 199 L C 2.472 179.356 176.870 0.024 0.000 1.072 199 L CA 1.134 55.959 54.840 -0.025 0.000 0.744 199 L CB -0.274 41.771 42.059 -0.024 0.000 0.895 199 L HN -0.028 nan 8.230 nan 0.000 0.433 200 R N -0.743 119.788 120.500 0.051 0.000 2.127 200 R HA -0.226 4.115 4.340 0.002 0.000 0.238 200 R C 2.229 178.561 176.300 0.054 0.000 1.134 200 R CA 1.790 57.912 56.100 0.037 0.000 0.975 200 R CB -0.469 29.852 30.300 0.036 0.000 0.865 200 R HN 0.272 nan 8.270 nan 0.000 0.447 201 F N 0.690 120.621 119.950 -0.032 0.000 2.128 201 F HA -0.001 4.528 4.527 0.002 0.000 0.295 201 F C 2.190 177.989 175.800 -0.002 0.000 1.100 201 F CA 1.607 59.602 58.000 -0.009 0.000 1.260 201 F CB -0.710 38.341 39.000 0.085 0.000 1.009 201 F HN -0.053 nan 8.300 nan 0.000 0.476 202 G N 0.540 109.442 108.800 0.170 0.000 2.446 202 G HA2 -0.290 3.672 3.960 0.002 0.000 0.217 202 G HA3 -0.290 3.672 3.960 0.002 0.000 0.217 202 G C 1.730 176.546 174.900 -0.140 0.000 1.168 202 G CA 1.736 46.828 45.100 -0.013 0.000 0.771 202 G HN 0.567 nan 8.290 nan 0.000 0.551 203 V N -0.794 119.061 119.914 -0.099 0.000 2.759 203 V HA 0.082 4.204 4.120 0.002 0.000 0.256 203 V C 2.388 178.406 176.094 -0.126 0.000 1.080 203 V CA 2.461 64.703 62.300 -0.096 0.000 1.101 203 V CB -0.430 31.360 31.823 -0.056 0.000 0.698 203 V HN 0.295 nan 8.190 nan 0.000 0.477 204 K N 1.235 121.531 120.400 -0.174 0.000 2.062 204 K HA 0.001 4.322 4.320 0.002 0.000 0.205 204 K C 1.936 178.390 176.600 -0.243 0.000 1.051 204 K CA 1.811 57.978 56.287 -0.200 0.000 0.941 204 K CB -0.203 32.152 32.500 -0.242 0.000 0.719 204 K HN 0.634 nan 8.250 nan 0.000 0.440 205 N N -0.307 118.181 118.700 -0.353 0.000 2.398 205 N HA 0.029 4.770 4.740 0.002 0.000 0.188 205 N C -0.168 175.218 175.510 -0.207 0.000 1.122 205 N CA 0.799 53.671 53.050 -0.297 0.000 0.866 205 N CB 0.843 39.088 38.487 -0.403 0.000 0.970 205 N HN 0.320 nan 8.380 nan 0.000 0.462 206 G N 2.030 110.713 108.800 -0.195 0.000 2.473 206 G HA2 -0.230 3.732 3.960 0.002 0.000 0.289 206 G HA3 -0.230 3.732 3.960 0.002 0.000 0.289 206 G C 0.048 174.771 174.900 -0.294 0.000 1.084 206 G CA 0.188 45.176 45.100 -0.186 0.000 1.215 206 G HN 0.228 nan 8.290 nan 0.000 0.527 207 V N -1.355 118.412 119.914 -0.244 0.000 2.488 207 V HA 0.544 4.665 4.120 0.002 0.000 0.277 207 V C 1.509 177.457 176.094 -0.244 0.000 1.046 207 V CA 0.259 62.389 62.300 -0.284 0.000 0.986 207 V CB 0.616 32.339 31.823 -0.166 0.000 0.989 207 V HN 0.494 nan 8.190 nan 0.000 0.475 208 H N 4.334 123.414 119.070 0.018 0.000 2.290 208 H HA 0.033 4.590 4.556 0.002 0.000 0.298 208 H C 1.016 176.392 175.328 0.081 0.000 1.087 208 H CA 2.129 58.236 56.048 0.097 0.000 1.291 208 H CB -0.130 29.709 29.762 0.127 0.000 1.369 208 H HN 0.790 nan 8.280 nan 0.000 0.492 209 M N -0.753 118.906 119.600 0.097 0.000 2.690 209 M HA 0.626 5.108 4.480 0.002 0.000 0.302 209 M C -1.404 174.799 176.300 -0.160 0.000 1.234 209 M CA -1.107 54.195 55.300 0.003 0.000 0.853 209 M CB 3.064 35.708 32.600 0.074 0.000 1.748 209 M HN -0.168 nan 8.290 nan 0.000 0.469 210 V N 2.344 122.199 119.914 -0.098 0.000 2.525 210 V HA 0.423 4.545 4.120 0.002 0.000 0.299 210 V C -1.436 174.710 176.094 0.086 0.000 1.034 210 V CA -0.403 61.819 62.300 -0.130 0.000 0.863 210 V CB 1.943 33.719 31.823 -0.078 0.000 0.999 210 V HN 0.692 nan 8.190 nan 0.000 0.423 211 F N 4.505 124.441 119.950 -0.022 0.000 2.567 211 F HA 0.528 5.056 4.527 0.002 0.000 0.352 211 F C 1.070 176.859 175.800 -0.019 0.000 1.229 211 F CA -1.344 56.645 58.000 -0.018 0.000 1.228 211 F CB 0.086 39.077 39.000 -0.014 0.000 1.568 211 F HN 0.542 nan 8.300 nan 0.000 0.634 212 A N 1.786 124.701 122.820 0.159 0.000 2.546 212 A HA 0.280 4.601 4.320 0.002 0.000 0.243 212 A C 0.706 178.343 177.584 0.088 0.000 1.063 212 A CA 0.224 52.316 52.037 0.093 0.000 0.757 212 A CB 0.075 19.115 19.000 0.066 0.000 0.991 212 A HN 0.513 nan 8.150 nan 0.000 0.503 213 S N 0.755 116.519 115.700 0.107 0.000 2.525 213 S HA 0.584 5.055 4.470 0.002 0.000 0.290 213 S C -0.260 174.478 174.600 0.230 0.000 1.152 213 S CA -0.293 57.979 58.200 0.119 0.000 1.072 213 S CB -0.258 63.074 63.200 0.221 0.000 1.027 213 S HN 0.926 nan 8.310 nan 0.000 0.500 214 F N 1.611 121.565 119.950 0.007 0.000 3.074 214 F HA -0.174 4.354 4.527 0.001 0.000 0.287 214 F C 0.342 176.146 175.800 0.008 0.000 0.932 214 F CA -0.113 57.888 58.000 0.002 0.000 0.995 214 F CB -1.426 37.567 39.000 -0.011 0.000 0.966 214 F HN 0.384 nan 8.300 nan 0.000 0.721 215 I N 0.131 120.759 120.570 0.097 0.000 2.779 215 I HA 0.140 4.311 4.170 0.002 0.000 0.285 215 I C 1.302 177.467 176.117 0.081 0.000 1.134 215 I CA 0.416 61.764 61.300 0.081 0.000 1.398 215 I CB 1.272 39.305 38.000 0.055 0.000 1.404 215 I HN 0.329 nan 8.210 nan 0.000 0.587 216 R N 1.181 121.723 120.500 0.071 0.000 3.059 216 R HA 0.103 4.444 4.340 0.002 0.000 0.161 216 R C 0.004 176.334 176.300 0.050 0.000 0.758 216 R CA 0.181 56.321 56.100 0.067 0.000 1.064 216 R CB 0.034 30.376 30.300 0.070 0.000 1.538 216 R HN 0.764 nan 8.270 nan 0.000 0.574 217 T N -1.947 112.629 114.554 0.037 0.000 2.950 217 T HA 0.670 5.021 4.350 0.002 0.000 0.288 217 T C 1.105 175.809 174.700 0.007 0.000 1.035 217 T CA -0.349 61.763 62.100 0.020 0.000 1.028 217 T CB 2.048 70.927 68.868 0.018 0.000 1.109 217 T HN 0.094 nan 8.240 nan 0.000 0.514 218 A N 1.279 124.093 122.820 -0.009 0.000 1.883 218 A HA -0.148 4.173 4.320 0.002 0.000 0.217 218 A C 2.155 179.732 177.584 -0.010 0.000 1.186 218 A CA 2.142 54.166 52.037 -0.022 0.000 0.624 218 A CB -1.668 17.312 19.000 -0.033 0.000 0.822 218 A HN 0.972 nan 8.150 nan 0.000 0.444 219 N N -0.043 118.654 118.700 -0.004 0.000 2.111 219 N HA -0.246 4.495 4.740 0.002 0.000 0.197 219 N C 1.217 176.730 175.510 0.005 0.000 1.011 219 N CA 1.863 54.913 53.050 0.000 0.000 0.880 219 N CB -0.255 38.234 38.487 0.005 0.000 1.031 219 N HN 0.497 nan 8.380 nan 0.000 0.444 220 D N -0.293 120.113 120.400 0.010 0.000 2.103 220 D HA -0.145 4.497 4.640 0.002 0.000 0.190 220 D C 2.081 178.388 176.300 0.013 0.000 0.997 220 D CA 1.213 55.223 54.000 0.017 0.000 0.833 220 D CB -0.660 40.157 40.800 0.029 0.000 0.961 220 D HN 0.103 nan 8.370 nan 0.000 0.447 221 V N 0.725 120.643 119.914 0.007 0.000 2.287 221 V HA -0.246 3.876 4.120 0.002 0.000 0.248 221 V C 2.584 178.676 176.094 -0.002 0.000 1.053 221 V CA 1.161 63.462 62.300 0.002 0.000 1.027 221 V CB -0.713 31.104 31.823 -0.010 0.000 0.646 221 V HN 0.098 nan 8.190 nan 0.000 0.447 222 L N 0.495 121.715 121.223 -0.005 0.000 2.021 222 L HA -0.233 4.108 4.340 0.002 0.000 0.215 222 L C 2.678 179.547 176.870 -0.001 0.000 1.074 222 L CA 2.703 57.540 54.840 -0.006 0.000 0.760 222 L CB -1.418 40.637 42.059 -0.006 0.000 0.889 222 L HN 0.414 nan 8.230 nan 0.000 0.433 223 T N -0.542 114.013 114.554 0.002 0.000 2.652 223 T HA -0.183 4.168 4.350 0.002 0.000 0.267 223 T C 1.907 176.609 174.700 0.004 0.000 1.039 223 T CA 1.763 63.866 62.100 0.005 0.000 1.153 223 T CB -0.396 68.477 68.868 0.008 0.000 0.863 223 T HN 0.259 nan 8.240 nan 0.000 0.428 224 I N 0.737 121.310 120.570 0.005 0.000 2.657 224 I HA -0.151 4.021 4.170 0.002 0.000 0.261 224 I C 2.623 178.739 176.117 -0.001 0.000 1.212 224 I CA 0.889 62.191 61.300 0.004 0.000 1.453 224 I CB -0.250 37.755 38.000 0.008 0.000 1.092 224 I HN 0.022 nan 8.210 nan 0.000 0.452 225 R N 1.621 122.120 120.500 -0.002 0.000 2.066 225 R HA -0.118 4.224 4.340 0.002 0.000 0.224 225 R C 2.132 178.430 176.300 -0.003 0.000 1.122 225 R CA 1.540 57.637 56.100 -0.005 0.000 0.974 225 R CB -0.276 30.020 30.300 -0.007 0.000 0.871 225 R HN 0.560 nan 8.270 nan 0.000 0.435 226 E N -0.496 119.703 120.200 -0.002 0.000 2.358 226 E HA -0.051 4.300 4.350 0.002 0.000 0.195 226 E C 1.238 177.839 176.600 0.001 0.000 1.010 226 E CA 0.845 57.245 56.400 -0.000 0.000 0.856 226 E CB 0.098 29.798 29.700 0.001 0.000 0.795 226 E HN 0.138 nan 8.360 nan 0.000 0.504 227 V N 0.862 120.776 119.914 0.001 0.000 2.535 227 V HA -0.132 3.989 4.120 0.002 0.000 0.246 227 V C 2.084 178.177 176.094 -0.001 0.000 1.045 227 V CA 0.664 62.965 62.300 0.002 0.000 1.058 227 V CB -0.116 31.709 31.823 0.004 0.000 0.689 227 V HN 0.263 nan 8.190 nan 0.000 0.461 228 L N 0.623 121.843 121.223 -0.005 0.000 2.191 228 L HA 0.141 4.482 4.340 0.002 0.000 0.212 228 L C 1.518 178.384 176.870 -0.007 0.000 1.103 228 L CA 1.782 56.616 54.840 -0.009 0.000 0.769 228 L CB -1.603 40.450 42.059 -0.011 0.000 0.908 228 L HN 0.508 nan 8.230 nan 0.000 0.438 229 G N -0.780 108.018 108.800 -0.004 0.000 2.682 229 G HA2 -0.392 3.570 3.960 0.002 0.000 0.256 229 G HA3 -0.392 3.570 3.960 0.002 0.000 0.256 229 G C 0.801 175.700 174.900 -0.002 0.000 1.333 229 G CA 0.477 45.575 45.100 -0.002 0.000 0.904 229 G HN 0.347 nan 8.290 nan 0.000 0.569 230 E N -0.628 119.571 120.200 -0.001 0.000 2.070 230 E HA -0.153 4.198 4.350 0.002 0.000 0.197 230 E C 2.555 179.156 176.600 0.001 0.000 1.004 230 E CA 2.228 58.629 56.400 0.001 0.000 0.805 230 E CB -0.261 29.439 29.700 -0.000 0.000 0.744 230 E HN 0.509 nan 8.360 nan 0.000 0.451 231 Q N 0.280 120.078 119.800 -0.004 0.000 2.170 231 Q HA -0.015 4.326 4.340 0.002 0.000 0.203 231 Q C 2.008 178.007 176.000 -0.002 0.000 0.976 231 Q CA 1.474 57.272 55.803 -0.007 0.000 0.858 231 Q CB -0.887 27.839 28.738 -0.020 0.000 0.907 231 Q HN 0.406 nan 8.270 nan 0.000 0.433 232 G N 0.634 109.432 108.800 -0.003 0.000 2.844 232 G HA2 -0.312 3.649 3.960 0.002 0.000 0.211 232 G HA3 -0.312 3.649 3.960 0.002 0.000 0.211 232 G C 0.780 175.689 174.900 0.015 0.000 1.368 232 G CA 1.072 46.172 45.100 -0.000 0.000 0.815 232 G HN 0.198 nan 8.290 nan 0.000 0.649 233 K N 0.547 120.955 120.400 0.014 0.000 7.912 233 K HA -0.391 3.930 4.320 0.002 0.000 0.411 233 K C 1.929 178.552 176.600 0.039 0.000 0.571 233 K CA 2.784 59.085 56.287 0.024 0.000 1.414 233 K CB -1.670 30.849 32.500 0.033 0.000 0.802 233 K HN 0.689 nan 8.250 nan 0.000 1.004 234 D N 1.191 121.640 120.400 0.082 0.000 2.239 234 D HA -0.109 4.532 4.640 0.002 0.000 0.202 234 D C 0.919 177.314 176.300 0.158 0.000 0.993 234 D CA 1.086 55.187 54.000 0.167 0.000 0.874 234 D CB 0.009 40.937 40.800 0.212 0.000 0.922 234 D HN 0.119 nan 8.370 nan 0.000 0.464 235 V N 1.024 120.987 119.914 0.082 0.000 2.470 235 V HA 0.103 4.224 4.120 0.002 0.000 0.276 235 V C -0.178 175.894 176.094 -0.036 0.000 1.040 235 V CA -0.698 61.632 62.300 0.050 0.000 1.008 235 V CB 0.680 32.515 31.823 0.021 0.000 0.990 235 V HN 0.073 nan 8.190 nan 0.000 0.477 236 K N 6.714 127.052 120.400 -0.103 0.000 2.218 236 K HA 0.430 4.751 4.320 0.002 0.000 0.276 236 K C -0.428 176.156 176.600 -0.027 0.000 1.022 236 K CA -0.188 56.022 56.287 -0.128 0.000 0.946 236 K CB 1.650 34.005 32.500 -0.241 0.000 1.000 236 K HN 0.638 nan 8.250 nan 0.000 0.468 237 I N 3.689 124.252 120.570 -0.012 0.000 2.315 237 I HA 0.116 4.287 4.170 0.002 0.000 0.291 237 I C -0.227 175.925 176.117 0.059 0.000 1.006 237 I CA -0.651 60.665 61.300 0.027 0.000 1.265 237 I CB 0.793 38.799 38.000 0.010 0.000 1.387 237 I HN 0.197 nan 8.210 nan 0.000 0.475 238 I N 8.178 128.824 120.570 0.127 0.000 2.330 238 I HA 0.162 4.333 4.170 0.002 0.000 0.286 238 I C 0.168 176.336 176.117 0.085 0.000 1.025 238 I CA -0.833 60.541 61.300 0.124 0.000 1.197 238 I CB 1.099 39.236 38.000 0.229 0.000 1.358 238 I HN 0.157 nan 8.210 nan 0.000 0.467 239 V N 4.443 124.385 119.914 0.046 0.000 2.572 239 V HA 0.336 4.457 4.120 0.002 0.000 0.291 239 V C 0.530 176.631 176.094 0.010 0.000 1.039 239 V CA -0.634 61.689 62.300 0.039 0.000 1.055 239 V CB 0.357 32.206 31.823 0.043 0.000 0.969 239 V HN 0.540 nan 8.190 nan 0.000 0.482 240 K N 5.265 125.656 120.400 -0.016 0.000 2.292 240 K HA 0.448 4.769 4.320 0.002 0.000 0.270 240 K C -0.718 175.822 176.600 -0.100 0.000 1.062 240 K CA -0.675 55.560 56.287 -0.086 0.000 0.916 240 K CB 1.316 33.745 32.500 -0.117 0.000 1.166 240 K HN 0.620 nan 8.250 nan 0.000 0.458 241 I N 4.029 124.549 120.570 -0.084 0.000 2.389 241 I HA 0.021 4.192 4.170 0.002 0.000 0.295 241 I C 0.961 176.980 176.117 -0.163 0.000 1.117 241 I CA 0.556 61.808 61.300 -0.080 0.000 1.317 241 I CB 0.232 38.188 38.000 -0.074 0.000 1.431 241 I HN 0.647 nan 8.210 nan 0.000 0.521 242 E N 3.512 123.582 120.200 -0.216 0.000 2.399 242 E HA 0.002 4.354 4.350 0.002 0.000 0.205 242 E C 0.368 176.878 176.600 -0.151 0.000 0.906 242 E CA 0.148 56.360 56.400 -0.313 0.000 0.998 242 E CB 0.538 29.754 29.700 -0.806 0.000 1.002 242 E HN 0.729 nan 8.360 nan 0.000 0.501 243 N N -0.543 118.131 118.700 -0.045 0.000 2.909 243 N HA 0.050 4.792 4.740 0.002 0.000 0.326 243 N C 0.810 176.327 175.510 0.011 0.000 1.368 243 N CA -0.428 52.642 53.050 0.034 0.000 0.797 243 N CB -0.143 38.414 38.487 0.116 0.000 1.150 243 N HN -0.211 nan 8.380 nan 0.000 0.550 244 Q N -0.742 119.077 119.800 0.031 0.000 2.165 244 Q HA 0.133 4.475 4.340 0.002 0.000 0.197 244 Q C 1.641 177.662 176.000 0.035 0.000 0.952 244 Q CA 1.356 57.171 55.803 0.021 0.000 0.848 244 Q CB -0.127 28.626 28.738 0.024 0.000 0.931 244 Q HN 0.604 nan 8.270 nan 0.000 0.470 245 Q N -0.641 119.189 119.800 0.050 0.000 2.181 245 Q HA -0.071 4.270 4.340 0.002 0.000 0.205 245 Q C 1.614 177.656 176.000 0.071 0.000 0.980 245 Q CA 1.253 57.091 55.803 0.058 0.000 0.862 245 Q CB -0.297 28.478 28.738 0.061 0.000 0.905 245 Q HN 0.561 nan 8.270 nan 0.000 0.429 246 G N -0.676 108.167 108.800 0.070 0.000 2.848 246 G HA2 -0.019 3.942 3.960 0.002 0.000 0.208 246 G HA3 -0.019 3.942 3.960 0.002 0.000 0.208 246 G C 1.138 176.125 174.900 0.145 0.000 1.152 246 G CA 0.557 45.716 45.100 0.099 0.000 0.789 246 G HN 0.226 nan 8.290 nan 0.000 0.531 247 V N -0.320 119.646 119.914 0.087 0.000 3.013 247 V HA 0.049 4.170 4.120 0.002 0.000 0.238 247 V C 2.230 178.388 176.094 0.106 0.000 1.161 247 V CA 0.425 62.758 62.300 0.055 0.000 1.170 247 V CB -0.292 31.513 31.823 -0.030 0.000 0.917 247 V HN 0.106 nan 8.190 nan 0.000 0.478 248 N N 2.220 120.967 118.700 0.078 0.000 2.039 248 N HA -0.102 4.639 4.740 0.002 0.000 0.193 248 N C 1.173 176.735 175.510 0.088 0.000 1.044 248 N CA 1.773 54.864 53.050 0.069 0.000 0.847 248 N CB -0.479 38.037 38.487 0.048 0.000 1.030 248 N HN 0.548 nan 8.380 nan 0.000 0.422 249 N N 0.556 119.307 118.700 0.085 0.000 2.346 249 N HA -0.010 4.731 4.740 0.002 0.000 0.225 249 N C 0.708 176.260 175.510 0.070 0.000 1.144 249 N CA -0.188 52.899 53.050 0.060 0.000 0.837 249 N CB -0.167 38.341 38.487 0.035 0.000 1.069 249 N HN 0.207 nan 8.380 nan 0.000 0.487 250 F N 1.992 121.936 119.950 -0.010 0.000 2.408 250 F HA -0.069 4.460 4.527 0.002 0.000 0.300 250 F C 1.416 177.207 175.800 -0.015 0.000 1.090 250 F CA 0.980 58.971 58.000 -0.016 0.000 1.427 250 F CB 0.202 39.189 39.000 -0.022 0.000 1.070 250 F HN -0.090 nan 8.300 nan 0.000 0.549 251 D N 0.313 120.628 120.400 -0.141 0.000 2.110 251 D HA -0.137 4.505 4.640 0.002 0.000 0.202 251 D C 2.105 178.264 176.300 -0.235 0.000 0.975 251 D CA 1.037 54.904 54.000 -0.221 0.000 0.839 251 D CB -0.275 40.500 40.800 -0.040 0.000 0.996 251 D HN 0.398 nan 8.370 nan 0.000 0.464 252 E N 0.453 120.570 120.200 -0.138 0.000 2.204 252 E HA -0.082 4.269 4.350 0.002 0.000 0.194 252 E C 2.342 178.854 176.600 -0.146 0.000 0.989 252 E CA 0.183 56.516 56.400 -0.112 0.000 0.824 252 E CB 0.081 29.745 29.700 -0.060 0.000 0.756 252 E HN 0.334 nan 8.360 nan 0.000 0.477 253 I N 1.028 121.484 120.570 -0.189 0.000 2.133 253 I HA -0.279 3.893 4.170 0.002 0.000 0.238 253 I C 2.560 178.514 176.117 -0.272 0.000 1.074 253 I CA 0.603 61.792 61.300 -0.185 0.000 1.342 253 I CB -0.229 37.684 38.000 -0.144 0.000 1.053 253 I HN 0.172 nan 8.210 nan 0.000 0.404 254 L N 1.043 121.950 121.223 -0.527 0.000 2.151 254 L HA -0.323 4.018 4.340 0.002 0.000 0.215 254 L C 2.511 179.226 176.870 -0.259 0.000 1.084 254 L CA 1.919 56.448 54.840 -0.520 0.000 0.764 254 L CB -0.494 41.083 42.059 -0.804 0.000 0.891 254 L HN 0.330 nan 8.230 nan 0.000 0.435 255 K N -0.863 119.412 120.400 -0.209 0.000 2.002 255 K HA -0.194 4.127 4.320 0.002 0.000 0.209 255 K C 1.917 178.459 176.600 -0.097 0.000 1.048 255 K CA 2.118 58.328 56.287 -0.129 0.000 0.930 255 K CB -0.152 32.286 32.500 -0.104 0.000 0.714 255 K HN 0.460 nan 8.250 nan 0.000 0.438 256 V N -1.291 118.569 119.914 -0.091 0.000 2.379 256 V HA -0.068 4.054 4.120 0.002 0.000 0.243 256 V C 1.587 177.647 176.094 -0.057 0.000 1.035 256 V CA 1.115 63.377 62.300 -0.063 0.000 1.035 256 V CB -0.813 30.980 31.823 -0.051 0.000 0.673 256 V HN 0.256 nan 8.190 nan 0.000 0.457 257 T N 0.425 114.941 114.554 -0.064 0.000 2.649 257 T HA -0.095 4.256 4.350 0.002 0.000 0.337 257 T C 0.790 175.468 174.700 -0.036 0.000 1.070 257 T CA 1.100 63.175 62.100 -0.042 0.000 1.052 257 T CB 0.085 68.929 68.868 -0.039 0.000 0.994 257 T HN 0.606 nan 8.240 nan 0.000 0.544 258 D N 0.111 120.500 120.400 -0.018 0.000 2.379 258 D HA 0.291 4.933 4.640 0.002 0.000 0.208 258 D C 0.614 176.927 176.300 0.021 0.000 1.065 258 D CA 0.514 54.507 54.000 -0.012 0.000 0.848 258 D CB 0.569 41.351 40.800 -0.030 0.000 0.949 258 D HN 0.784 nan 8.370 nan 0.000 0.509 259 G N 0.503 109.317 108.800 0.023 0.000 2.384 259 G HA2 0.330 4.292 3.960 0.002 0.000 0.300 259 G HA3 0.330 4.292 3.960 0.002 0.000 0.300 259 G C -1.096 173.829 174.900 0.042 0.000 1.582 259 G CA -0.437 44.689 45.100 0.044 0.000 0.875 259 G HN 0.024 nan 8.290 nan 0.000 0.628 260 V N -0.888 119.065 119.914 0.064 0.000 2.994 260 V HA 0.932 5.053 4.120 0.002 0.000 0.318 260 V C 0.071 176.155 176.094 -0.017 0.000 1.085 260 V CA -1.275 61.072 62.300 0.078 0.000 0.998 260 V CB 2.188 34.176 31.823 0.275 0.000 1.063 260 V HN 0.958 nan 8.190 nan 0.000 0.447 261 M N 2.779 122.339 119.600 -0.067 0.000 2.142 261 M HA 0.461 4.942 4.480 0.002 0.000 0.299 261 M C -1.143 175.069 176.300 -0.146 0.000 0.960 261 M CA -0.642 54.561 55.300 -0.162 0.000 0.920 261 M CB 1.822 34.253 32.600 -0.281 0.000 1.541 261 M HN 0.717 nan 8.290 nan 0.000 0.429 262 V N 4.862 124.689 119.914 -0.145 0.000 2.393 262 V HA 0.035 4.156 4.120 0.002 0.000 0.257 262 V C 1.036 177.039 176.094 -0.151 0.000 1.040 262 V CA 0.002 62.213 62.300 -0.149 0.000 1.097 262 V CB -0.369 31.374 31.823 -0.134 0.000 1.101 262 V HN 0.864 nan 8.190 nan 0.000 0.479 263 A N 5.334 128.055 122.820 -0.164 0.000 3.077 263 A HA 0.243 4.564 4.320 0.002 0.000 0.255 263 A C 1.698 179.191 177.584 -0.152 0.000 1.728 263 A CA -0.267 51.664 52.037 -0.177 0.000 1.383 263 A CB -0.538 18.320 19.000 -0.237 0.000 1.097 263 A HN 0.854 nan 8.150 nan 0.000 0.634 264 R N 0.740 121.166 120.500 -0.122 0.000 2.122 264 R HA -0.188 4.153 4.340 0.002 0.000 0.236 264 R C 2.473 178.720 176.300 -0.089 0.000 1.129 264 R CA 2.192 58.233 56.100 -0.100 0.000 0.925 264 R CB -0.702 29.549 30.300 -0.081 0.000 0.850 264 R HN 0.673 nan 8.270 nan 0.000 0.431 265 G N 0.840 109.594 108.800 -0.076 0.000 2.759 265 G HA2 -0.370 3.591 3.960 0.002 0.000 0.224 265 G HA3 -0.370 3.591 3.960 0.002 0.000 0.224 265 G C 0.966 175.835 174.900 -0.051 0.000 1.173 265 G CA 1.871 46.939 45.100 -0.053 0.000 0.770 265 G HN 0.359 nan 8.290 nan 0.000 0.626 266 D N -0.526 119.827 120.400 -0.079 0.000 2.346 266 D HA 0.082 4.723 4.640 0.002 0.000 0.206 266 D C 2.399 178.652 176.300 -0.078 0.000 1.001 266 D CA -0.086 53.880 54.000 -0.056 0.000 0.871 266 D CB 0.173 40.923 40.800 -0.083 0.000 0.943 266 D HN 0.205 nan 8.370 nan 0.000 0.518 267 L N 1.454 122.611 121.223 -0.111 0.000 1.976 267 L HA -0.011 4.330 4.340 0.002 0.000 0.209 267 L C 2.291 179.108 176.870 -0.088 0.000 1.071 267 L CA 1.963 56.741 54.840 -0.103 0.000 0.746 267 L CB -1.172 40.818 42.059 -0.115 0.000 0.890 267 L HN 0.032 nan 8.230 nan 0.000 0.432 268 G N -0.425 108.323 108.800 -0.087 0.000 2.537 268 G HA2 -0.198 3.763 3.960 0.002 0.000 0.220 268 G HA3 -0.198 3.763 3.960 0.002 0.000 0.220 268 G C 1.357 176.182 174.900 -0.124 0.000 1.111 268 G CA 1.030 46.077 45.100 -0.089 0.000 0.748 268 G HN 0.430 nan 8.290 nan 0.000 0.564 269 I N -0.275 120.219 120.570 -0.128 0.000 2.628 269 I HA 0.110 4.281 4.170 0.002 0.000 0.255 269 I C 2.392 178.390 176.117 -0.198 0.000 1.119 269 I CA 0.618 61.792 61.300 -0.210 0.000 1.448 269 I CB -0.787 37.141 38.000 -0.122 0.000 1.133 269 I HN 0.070 nan 8.210 nan 0.000 0.438 270 E N 1.633 121.780 120.200 -0.089 0.000 2.015 270 E HA -0.052 4.300 4.350 0.002 0.000 0.191 270 E C 0.615 177.184 176.600 -0.053 0.000 0.991 270 E CA 0.898 57.273 56.400 -0.041 0.000 0.802 270 E CB -0.165 29.536 29.700 0.002 0.000 0.759 270 E HN 0.560 nan 8.360 nan 0.000 0.447 271 I N -2.037 118.497 120.570 -0.060 0.000 2.498 271 I HA 0.415 4.586 4.170 0.002 0.000 0.301 271 I C -2.429 173.647 176.117 -0.068 0.000 0.984 271 I CA -3.031 58.238 61.300 -0.051 0.000 1.204 271 I CB 1.191 39.164 38.000 -0.046 0.000 1.362 271 I HN -0.239 nan 8.210 nan 0.000 0.471 272 P HA -0.052 nan 4.420 nan 0.000 0.260 272 P C 0.651 177.919 177.300 -0.053 0.000 1.172 272 P CA 0.444 63.514 63.100 -0.049 0.000 0.760 272 P CB 0.716 32.402 31.700 -0.024 0.000 0.773 273 A N 7.034 129.818 122.820 -0.060 0.000 1.929 273 A HA -0.212 4.109 4.320 0.002 0.000 0.221 273 A C -0.364 177.196 177.584 -0.041 0.000 1.211 273 A CA 2.139 54.144 52.037 -0.052 0.000 0.657 273 A CB -2.495 16.479 19.000 -0.043 0.000 0.827 273 A HN 0.485 nan 8.150 nan 0.000 0.462 274 P HA -0.111 nan 4.420 nan 0.000 0.222 274 P C 0.970 178.250 177.300 -0.033 0.000 1.147 274 P CA 1.254 64.338 63.100 -0.028 0.000 0.790 274 P CB -0.111 31.578 31.700 -0.019 0.000 0.780 275 E N -0.546 119.632 120.200 -0.037 0.000 2.208 275 E HA -0.071 4.280 4.350 0.002 0.000 0.193 275 E C 1.885 178.453 176.600 -0.054 0.000 0.988 275 E CA 0.531 56.906 56.400 -0.042 0.000 0.828 275 E CB -0.703 28.973 29.700 -0.040 0.000 0.763 275 E HN 0.077 nan 8.360 nan 0.000 0.478 276 V N 1.857 121.736 119.914 -0.059 0.000 2.867 276 V HA -0.195 3.926 4.120 0.002 0.000 0.260 276 V C 2.117 178.171 176.094 -0.067 0.000 1.099 276 V CA 1.057 63.315 62.300 -0.070 0.000 1.122 276 V CB -0.263 31.518 31.823 -0.070 0.000 0.708 276 V HN 0.227 nan 8.190 nan 0.000 0.490 277 L N -0.294 120.896 121.223 -0.054 0.000 2.156 277 L HA 0.078 4.419 4.340 0.002 0.000 0.208 277 L C 2.268 179.107 176.870 -0.053 0.000 1.095 277 L CA 1.963 56.773 54.840 -0.049 0.000 0.770 277 L CB -0.406 41.630 42.059 -0.038 0.000 0.914 277 L HN 0.265 nan 8.230 nan 0.000 0.439 278 A N -1.219 121.569 122.820 -0.054 0.000 1.911 278 A HA 0.020 4.341 4.320 0.002 0.000 0.212 278 A C 2.127 179.666 177.584 -0.074 0.000 1.189 278 A CA 1.043 53.047 52.037 -0.055 0.000 0.639 278 A CB -0.716 18.258 19.000 -0.045 0.000 0.839 278 A HN 0.206 nan 8.150 nan 0.000 0.449 279 V N 0.699 120.561 119.914 -0.087 0.000 2.392 279 V HA -0.331 3.790 4.120 0.002 0.000 0.249 279 V C 2.699 178.702 176.094 -0.153 0.000 1.059 279 V CA 2.442 64.668 62.300 -0.123 0.000 1.051 279 V CB -0.743 31.006 31.823 -0.125 0.000 0.658 279 V HN 0.824 nan 8.190 nan 0.000 0.455 280 Q N 0.472 120.198 119.800 -0.124 0.000 1.917 280 Q HA -0.264 4.077 4.340 0.002 0.000 0.205 280 Q C 2.301 178.234 176.000 -0.112 0.000 0.988 280 Q CA 2.061 57.790 55.803 -0.123 0.000 0.851 280 Q CB -0.280 28.402 28.738 -0.093 0.000 0.916 280 Q HN 0.522 nan 8.270 nan 0.000 0.424 281 K N 0.276 120.627 120.400 -0.082 0.000 2.163 281 K HA -0.255 4.066 4.320 0.002 0.000 0.210 281 K C 2.279 178.838 176.600 -0.069 0.000 1.048 281 K CA 1.846 58.094 56.287 -0.065 0.000 0.928 281 K CB -0.158 32.311 32.500 -0.051 0.000 0.716 281 K HN 0.208 nan 8.250 nan 0.000 0.459 282 K N 0.457 120.803 120.400 -0.089 0.000 1.991 282 K HA -0.106 4.216 4.320 0.002 0.000 0.207 282 K C 2.104 178.632 176.600 -0.120 0.000 1.045 282 K CA 0.886 57.120 56.287 -0.088 0.000 0.937 282 K CB -0.076 32.366 32.500 -0.096 0.000 0.720 282 K HN -0.052 nan 8.250 nan 0.000 0.438 283 L N 1.862 122.940 121.223 -0.241 0.000 1.990 283 L HA -0.210 4.131 4.340 0.002 0.000 0.213 283 L C 2.339 179.126 176.870 -0.138 0.000 1.072 283 L CA 1.549 56.154 54.840 -0.392 0.000 0.755 283 L CB -0.726 40.968 42.059 -0.608 0.000 0.889 283 L HN 0.265 nan 8.230 nan 0.000 0.432 284 I N -0.979 119.525 120.570 -0.109 0.000 2.194 284 I HA -0.390 3.781 4.170 0.002 0.000 0.246 284 I C 2.442 178.553 176.117 -0.010 0.000 1.093 284 I CA 1.451 62.724 61.300 -0.045 0.000 1.355 284 I CB -0.359 37.611 38.000 -0.049 0.000 1.046 284 I HN 0.303 nan 8.210 nan 0.000 0.413 285 A N -0.017 122.792 122.820 -0.018 0.000 1.929 285 A HA -0.158 4.164 4.320 0.002 0.000 0.216 285 A C 2.272 179.872 177.584 0.026 0.000 1.176 285 A CA 1.073 53.110 52.037 -0.002 0.000 0.628 285 A CB -0.319 18.674 19.000 -0.012 0.000 0.816 285 A HN 0.251 nan 8.150 nan 0.000 0.444 286 K N 0.128 120.563 120.400 0.060 0.000 2.362 286 K HA -0.032 4.289 4.320 0.002 0.000 0.200 286 K C 1.956 178.643 176.600 0.144 0.000 1.046 286 K CA 1.212 57.578 56.287 0.133 0.000 0.952 286 K CB -0.043 32.628 32.500 0.285 0.000 0.753 286 K HN 0.468 nan 8.250 nan 0.000 0.466 287 S N 0.922 116.703 115.700 0.134 0.000 2.404 287 S HA -0.018 4.454 4.470 0.002 0.000 0.223 287 S C 1.472 176.090 174.600 0.031 0.000 1.040 287 S CA 0.480 58.743 58.200 0.106 0.000 0.957 287 S CB -0.091 63.182 63.200 0.123 0.000 0.826 287 S HN 0.293 nan 8.310 nan 0.000 0.491 288 N N 1.969 120.678 118.700 0.014 0.000 2.104 288 N HA -0.072 4.669 4.740 0.002 0.000 0.190 288 N C 1.622 177.095 175.510 -0.062 0.000 1.024 288 N CA 0.747 53.784 53.050 -0.023 0.000 0.853 288 N CB -0.681 37.796 38.487 -0.017 0.000 1.008 288 N HN 0.220 nan 8.380 nan 0.000 0.424 289 L N 1.034 122.233 121.223 -0.039 0.000 1.970 289 L HA -0.106 4.235 4.340 0.002 0.000 0.212 289 L C 2.027 178.858 176.870 -0.065 0.000 1.071 289 L CA 1.882 56.690 54.840 -0.054 0.000 0.751 289 L CB -0.871 41.177 42.059 -0.018 0.000 0.889 289 L HN 0.164 nan 8.230 nan 0.000 0.432 290 A N -1.440 121.356 122.820 -0.040 0.000 2.125 290 A HA 0.140 4.461 4.320 0.002 0.000 0.219 290 A C 1.979 179.523 177.584 -0.066 0.000 1.156 290 A CA 1.387 53.394 52.037 -0.049 0.000 0.671 290 A CB -1.019 17.953 19.000 -0.047 0.000 0.794 290 A HN 0.919 nan 8.150 nan 0.000 0.459 291 G N -1.580 107.173 108.800 -0.079 0.000 2.241 291 G HA2 -0.274 3.688 3.960 0.002 0.000 0.244 291 G HA3 -0.274 3.688 3.960 0.002 0.000 0.244 291 G C 0.349 175.202 174.900 -0.078 0.000 0.998 291 G CA 0.575 45.612 45.100 -0.105 0.000 0.621 291 G HN 0.576 nan 8.290 nan 0.000 0.519 292 K N 2.480 122.857 120.400 -0.039 0.000 2.382 292 K HA 0.454 4.776 4.320 0.002 0.000 0.275 292 K C -1.813 174.816 176.600 0.049 0.000 1.009 292 K CA -1.141 55.147 56.287 0.002 0.000 0.970 292 K CB 0.817 33.317 32.500 0.001 0.000 0.934 292 K HN 0.221 nan 8.250 nan 0.000 0.479 293 P HA 0.069 nan 4.420 nan 0.000 0.274 293 P C -0.981 176.371 177.300 0.087 0.000 1.231 293 P CA -0.386 62.810 63.100 0.160 0.000 0.790 293 P CB 1.050 32.939 31.700 0.314 0.000 0.951 294 V N 3.707 123.656 119.914 0.058 0.000 2.709 294 V HA 0.484 4.605 4.120 0.002 0.000 0.308 294 V C -0.537 175.541 176.094 -0.027 0.000 1.062 294 V CA -0.981 61.327 62.300 0.013 0.000 0.901 294 V CB 1.633 33.465 31.823 0.016 0.000 1.003 294 V HN 0.316 nan 8.190 nan 0.000 0.425 295 I N 5.763 126.281 120.570 -0.085 0.000 2.433 295 I HA 0.464 4.635 4.170 0.002 0.000 0.292 295 I C -0.317 175.722 176.117 -0.130 0.000 1.001 295 I CA -0.410 60.816 61.300 -0.125 0.000 1.119 295 I CB 1.685 39.543 38.000 -0.237 0.000 1.289 295 I HN 0.569 nan 8.210 nan 0.000 0.438 296 C N 6.147 125.388 119.300 -0.099 0.000 2.319 296 C HA 0.912 5.374 4.460 0.002 0.000 0.335 296 C C 0.361 175.295 174.990 -0.094 0.000 1.274 296 C CA 0.078 59.041 59.018 -0.092 0.000 1.806 296 C CB -0.251 27.450 27.740 -0.066 0.000 2.329 296 C HN 0.930 nan 8.230 nan 0.000 0.524 297 A N 3.896 126.656 122.820 -0.100 0.000 2.583 297 A HA 0.935 5.256 4.320 0.002 0.000 0.289 297 A C -0.237 177.305 177.584 -0.069 0.000 1.151 297 A CA -0.107 51.879 52.037 -0.085 0.000 0.695 297 A CB 0.876 19.811 19.000 -0.108 0.000 1.290 297 A HN 1.486 nan 8.150 nan 0.000 0.419 298 T N 0.480 115.004 114.554 -0.050 0.000 0.630 298 T HA -0.072 4.279 4.350 0.002 0.000 0.765 298 T C 0.086 174.768 174.700 -0.031 0.000 0.991 298 T CA 0.890 62.967 62.100 -0.038 0.000 4.032 298 T CB -1.382 67.458 68.868 -0.046 0.000 2.278 298 T HN 1.665 nan 8.240 nan 0.000 0.395 299 Q N 0.095 119.882 119.800 -0.022 0.000 2.468 299 Q HA -0.249 4.092 4.340 0.002 0.000 0.256 299 Q C 1.477 177.465 176.000 -0.019 0.000 0.984 299 Q CA 1.417 57.209 55.803 -0.018 0.000 1.110 299 Q CB -0.873 27.857 28.738 -0.014 0.000 1.527 299 Q HN 0.835 nan 8.270 nan 0.000 0.535 300 M N -0.598 118.989 119.600 -0.022 0.000 2.549 300 M HA -0.062 4.419 4.480 0.002 0.000 0.260 300 M C 0.704 176.994 176.300 -0.016 0.000 1.076 300 M CA 1.279 56.566 55.300 -0.021 0.000 1.090 300 M CB 0.274 32.861 32.600 -0.022 0.000 1.418 300 M HN 0.327 nan 8.290 nan 0.000 0.486 301 L N -1.212 120.002 121.223 -0.015 0.000 2.918 301 L HA 0.060 4.401 4.340 0.002 0.000 0.337 301 L C 0.920 177.779 176.870 -0.019 0.000 1.288 301 L CA -0.280 54.552 54.840 -0.014 0.000 0.735 301 L CB 0.412 42.464 42.059 -0.011 0.000 1.134 301 L HN -0.099 nan 8.230 nan 0.000 0.558 302 E N 0.946 121.134 120.200 -0.019 0.000 2.114 302 E HA -0.259 4.093 4.350 0.002 0.000 0.199 302 E C 2.101 178.682 176.600 -0.032 0.000 1.008 302 E CA 2.269 58.651 56.400 -0.030 0.000 0.810 302 E CB 0.151 29.844 29.700 -0.011 0.000 0.739 302 E HN 0.523 nan 8.360 nan 0.000 0.456 303 S N -0.415 115.286 115.700 0.001 0.000 2.383 303 S HA -0.208 4.263 4.470 0.002 0.000 0.229 303 S C 1.946 176.560 174.600 0.025 0.000 1.030 303 S CA 1.657 59.874 58.200 0.029 0.000 1.002 303 S CB -0.367 62.849 63.200 0.027 0.000 0.829 303 S HN 0.361 nan 8.310 nan 0.000 0.467 304 M N 1.022 120.622 119.600 0.001 0.000 2.629 304 M HA -0.057 4.424 4.480 0.002 0.000 0.257 304 M C 2.243 178.574 176.300 0.051 0.000 1.071 304 M CA 1.249 56.558 55.300 0.016 0.000 1.077 304 M CB -1.219 31.385 32.600 0.006 0.000 1.423 304 M HN 0.438 nan 8.290 nan 0.000 0.508 305 T N -0.527 113.985 114.554 -0.070 0.000 2.962 305 T HA -0.117 4.234 4.350 0.002 0.000 0.270 305 T C 0.313 174.815 174.700 -0.329 0.000 1.088 305 T CA 1.241 63.181 62.100 -0.267 0.000 1.127 305 T CB 0.003 68.573 68.868 -0.498 0.000 0.883 305 T HN 0.406 nan 8.240 nan 0.000 0.493 306 Y N 0.276 120.683 120.300 0.178 0.000 2.768 306 Y HA 0.498 5.050 4.550 0.004 0.000 0.249 306 Y C 0.013 176.086 175.900 0.288 0.000 1.146 306 Y CA -1.384 56.843 58.100 0.213 0.000 1.171 306 Y CB 0.041 38.570 38.460 0.116 0.000 1.249 306 Y HN 0.071 nan 8.280 nan 0.000 0.567 307 N N -0.210 118.696 118.700 0.343 0.000 2.504 307 N HA 0.277 5.018 4.740 0.002 0.000 0.268 307 N C -2.589 172.568 175.510 -0.588 0.000 1.184 307 N CA -1.391 51.605 53.050 -0.091 0.000 0.875 307 N CB 2.487 40.963 38.487 -0.018 0.000 1.630 307 N HN -0.349 nan 8.380 nan 0.000 0.486 308 P HA 0.100 nan 4.420 nan 0.000 0.245 308 P C -0.642 176.466 177.300 -0.321 0.000 1.206 308 P CA 0.537 63.154 63.100 -0.805 0.000 0.781 308 P CB 0.426 31.643 31.700 -0.805 0.000 0.994 309 R N 1.348 121.705 120.500 -0.237 0.000 2.439 309 R HA 0.449 4.790 4.340 0.002 0.000 0.310 309 R C -2.620 173.633 176.300 -0.077 0.000 0.955 309 R CA -2.251 53.776 56.100 -0.122 0.000 0.853 309 R CB 1.468 31.711 30.300 -0.094 0.000 1.171 309 R HN 0.104 nan 8.270 nan 0.000 0.449 310 P HA 0.153 nan 4.420 nan 0.000 0.284 310 P C -0.212 177.076 177.300 -0.020 0.000 1.258 310 P CA -0.364 62.718 63.100 -0.030 0.000 0.824 310 P CB 0.924 32.609 31.700 -0.025 0.000 1.038 311 T N -0.087 114.460 114.554 -0.011 0.000 2.899 311 T HA 0.178 4.529 4.350 0.002 0.000 0.295 311 T C 1.574 176.269 174.700 -0.008 0.000 1.033 311 T CA -0.714 61.382 62.100 -0.007 0.000 1.084 311 T CB 0.499 69.367 68.868 0.000 0.000 0.979 311 T HN 0.216 nan 8.240 nan 0.000 0.532 312 R N 2.008 122.505 120.500 -0.007 0.000 2.119 312 R HA -0.149 4.192 4.340 0.002 0.000 0.246 312 R C 2.630 178.926 176.300 -0.006 0.000 1.146 312 R CA 1.778 57.874 56.100 -0.007 0.000 0.962 312 R CB -1.954 28.343 30.300 -0.005 0.000 0.863 312 R HN 0.878 nan 8.270 nan 0.000 0.442 313 A N 1.033 123.849 122.820 -0.005 0.000 1.972 313 A HA -0.181 4.140 4.320 0.002 0.000 0.219 313 A C 2.176 179.755 177.584 -0.008 0.000 1.169 313 A CA 1.541 53.574 52.037 -0.006 0.000 0.635 313 A CB -0.329 18.668 19.000 -0.004 0.000 0.810 313 A HN 0.398 nan 8.150 nan 0.000 0.446 314 E N -0.669 119.527 120.200 -0.007 0.000 2.007 314 E HA -0.144 4.208 4.350 0.002 0.000 0.194 314 E C 2.115 178.709 176.600 -0.010 0.000 0.999 314 E CA 1.635 58.029 56.400 -0.009 0.000 0.811 314 E CB -0.330 29.365 29.700 -0.009 0.000 0.762 314 E HN 0.439 nan 8.360 nan 0.000 0.450 315 V N 0.491 120.399 119.914 -0.009 0.000 2.392 315 V HA -0.285 3.836 4.120 0.002 0.000 0.249 315 V C 2.197 178.287 176.094 -0.008 0.000 1.059 315 V CA 2.667 64.962 62.300 -0.008 0.000 1.051 315 V CB -0.610 31.209 31.823 -0.007 0.000 0.658 315 V HN 0.422 nan 8.190 nan 0.000 0.455 316 S N 0.124 115.819 115.700 -0.009 0.000 2.359 316 S HA -0.326 4.146 4.470 0.002 0.000 0.224 316 S C 1.973 176.566 174.600 -0.012 0.000 1.035 316 S CA 2.298 60.492 58.200 -0.010 0.000 1.018 316 S CB -0.973 62.221 63.200 -0.010 0.000 0.876 316 S HN 0.832 nan 8.310 nan 0.000 0.448 317 D N 0.603 120.994 120.400 -0.014 0.000 2.104 317 D HA -0.096 4.546 4.640 0.002 0.000 0.194 317 D C 1.929 178.219 176.300 -0.017 0.000 0.994 317 D CA 1.534 55.524 54.000 -0.018 0.000 0.830 317 D CB -0.617 40.171 40.800 -0.019 0.000 0.959 317 D HN 0.314 nan 8.370 nan 0.000 0.452 318 V N 0.534 120.440 119.914 -0.014 0.000 2.214 318 V HA -0.231 3.890 4.120 0.002 0.000 0.247 318 V C 2.586 178.675 176.094 -0.008 0.000 1.051 318 V CA 2.333 64.627 62.300 -0.011 0.000 1.003 318 V CB -1.309 30.509 31.823 -0.007 0.000 0.635 318 V HN 0.429 nan 8.190 nan 0.000 0.447 319 G N -0.800 107.997 108.800 -0.005 0.000 2.491 319 G HA2 -0.368 3.593 3.960 0.002 0.000 0.218 319 G HA3 -0.368 3.593 3.960 0.002 0.000 0.218 319 G C 1.419 176.315 174.900 -0.007 0.000 1.180 319 G CA 1.489 46.588 45.100 -0.002 0.000 0.774 319 G HN 0.626 nan 8.290 nan 0.000 0.562 320 N N 0.616 119.309 118.700 -0.012 0.000 2.069 320 N HA -0.055 4.687 4.740 0.002 0.000 0.191 320 N C 2.580 178.079 175.510 -0.020 0.000 1.031 320 N CA 1.152 54.191 53.050 -0.018 0.000 0.852 320 N CB -0.206 38.269 38.487 -0.020 0.000 1.018 320 N HN 0.352 nan 8.380 nan 0.000 0.423 321 A N 0.884 123.692 122.820 -0.021 0.000 1.917 321 A HA -0.190 4.131 4.320 0.002 0.000 0.219 321 A C 2.135 179.709 177.584 -0.016 0.000 1.182 321 A CA 1.303 53.325 52.037 -0.025 0.000 0.633 321 A CB -0.774 18.209 19.000 -0.028 0.000 0.819 321 A HN 0.264 nan 8.150 nan 0.000 0.448 322 I N -0.749 119.817 120.570 -0.007 0.000 2.163 322 I HA -0.238 3.933 4.170 0.002 0.000 0.240 322 I C 2.315 178.433 176.117 0.002 0.000 1.081 322 I CA 1.177 62.480 61.300 0.006 0.000 1.353 322 I CB -0.254 37.756 38.000 0.017 0.000 1.054 322 I HN 0.271 nan 8.210 nan 0.000 0.407 323 L N 0.364 121.581 121.223 -0.009 0.000 2.261 323 L HA -0.244 4.098 4.340 0.002 0.000 0.216 323 L C 1.837 178.692 176.870 -0.025 0.000 1.114 323 L CA 0.966 55.792 54.840 -0.023 0.000 0.777 323 L CB -0.580 41.462 42.059 -0.028 0.000 0.910 323 L HN 0.314 nan 8.230 nan 0.000 0.440 324 D N -0.353 120.034 120.400 -0.021 0.000 2.183 324 D HA -0.048 4.593 4.640 0.002 0.000 0.203 324 D C 1.718 178.008 176.300 -0.016 0.000 0.969 324 D CA 1.494 55.480 54.000 -0.023 0.000 0.842 324 D CB 0.262 41.045 40.800 -0.029 0.000 0.957 324 D HN 0.401 nan 8.370 nan 0.000 0.484 325 G N -0.447 108.350 108.800 -0.005 0.000 2.559 325 G HA2 0.018 3.979 3.960 0.002 0.000 0.202 325 G HA3 0.018 3.979 3.960 0.002 0.000 0.202 325 G C 0.363 175.273 174.900 0.017 0.000 0.992 325 G CA 0.055 45.161 45.100 0.010 0.000 0.764 325 G HN 0.500 nan 8.290 nan 0.000 0.525 326 A N 0.433 123.256 122.820 0.006 0.000 2.565 326 A HA 0.439 4.760 4.320 0.002 0.000 0.237 326 A C 1.134 178.733 177.584 0.025 0.000 1.053 326 A CA 1.209 53.248 52.037 0.004 0.000 0.755 326 A CB 0.286 19.279 19.000 -0.012 0.000 0.980 326 A HN 0.173 nan 8.150 nan 0.000 0.506 327 D N 0.152 120.570 120.400 0.030 0.000 2.262 327 D HA 0.093 4.734 4.640 0.002 0.000 0.212 327 D C -0.156 176.163 176.300 0.031 0.000 0.964 327 D CA 1.122 55.155 54.000 0.055 0.000 0.875 327 D CB 0.293 41.146 40.800 0.088 0.000 0.996 327 D HN 0.565 nan 8.370 nan 0.000 0.497 328 C N 0.645 119.947 119.300 0.003 0.000 2.609 328 C HA 0.557 5.018 4.460 0.002 0.000 0.313 328 C C -0.321 174.649 174.990 -0.033 0.000 1.175 328 C CA -1.090 57.920 59.018 -0.013 0.000 1.434 328 C CB 1.617 29.347 27.740 -0.018 0.000 2.005 328 C HN 0.095 nan 8.230 nan 0.000 0.471 329 V N 2.223 122.122 119.914 -0.025 0.000 2.349 329 V HA 0.645 4.766 4.120 0.002 0.000 0.284 329 V C -0.266 175.814 176.094 -0.023 0.000 1.014 329 V CA -0.456 61.827 62.300 -0.029 0.000 0.826 329 V CB 0.940 32.752 31.823 -0.019 0.000 1.009 329 V HN 1.012 nan 8.190 nan 0.000 0.431 330 M N 5.083 124.664 119.600 -0.031 0.000 2.471 330 M HA 0.788 5.269 4.480 0.002 0.000 0.309 330 M C -1.582 174.716 176.300 -0.004 0.000 1.186 330 M CA -0.398 54.898 55.300 -0.007 0.000 1.008 330 M CB 2.004 34.604 32.600 -0.000 0.000 1.551 330 M HN 0.562 nan 8.290 nan 0.000 0.477 331 L N 1.983 123.213 121.223 0.012 0.000 2.333 331 L HA 0.394 4.736 4.340 0.002 0.000 0.280 331 L C 0.235 177.115 176.870 0.018 0.000 1.004 331 L CA -0.325 54.520 54.840 0.009 0.000 0.820 331 L CB 2.035 44.100 42.059 0.010 0.000 1.247 331 L HN 0.945 nan 8.230 nan 0.000 0.416 332 S N 1.690 117.395 115.700 0.008 0.000 2.702 332 S HA 0.107 4.578 4.470 0.002 0.000 0.166 332 S C 1.577 176.182 174.600 0.009 0.000 1.143 332 S CA 0.437 58.646 58.200 0.014 0.000 1.904 332 S CB -0.146 63.057 63.200 0.006 0.000 0.492 332 S HN 0.881 nan 8.310 nan 0.000 0.431 333 G N 0.555 109.354 108.800 -0.001 0.000 2.586 333 G HA2 -0.119 3.842 3.960 0.002 0.000 0.215 333 G HA3 -0.119 3.842 3.960 0.002 0.000 0.215 333 G C 0.896 175.769 174.900 -0.046 0.000 1.128 333 G CA 0.628 45.719 45.100 -0.014 0.000 0.774 333 G HN 0.544 nan 8.290 nan 0.000 0.543 334 E N -0.128 120.048 120.200 -0.040 0.000 2.204 334 E HA -0.075 4.276 4.350 0.002 0.000 0.195 334 E C 2.560 179.149 176.600 -0.019 0.000 0.990 334 E CA 1.612 57.986 56.400 -0.044 0.000 0.821 334 E CB 0.038 29.724 29.700 -0.024 0.000 0.750 334 E HN 0.571 nan 8.360 nan 0.000 0.477 335 T N -4.189 110.363 114.554 -0.003 0.000 3.016 335 T HA 0.397 4.748 4.350 0.002 0.000 0.271 335 T C 1.395 176.104 174.700 0.016 0.000 0.968 335 T CA 0.114 62.221 62.100 0.011 0.000 0.891 335 T CB 0.563 69.444 68.868 0.022 0.000 1.149 335 T HN 0.074 nan 8.240 nan 0.000 0.524 336 A N 1.847 124.676 122.820 0.016 0.000 2.302 336 A HA 0.552 4.873 4.320 0.002 0.000 0.219 336 A C 1.452 179.051 177.584 0.025 0.000 1.243 336 A CA 0.668 52.723 52.037 0.031 0.000 0.856 336 A CB -0.562 18.462 19.000 0.041 0.000 0.893 336 A HN 0.781 nan 8.150 nan 0.000 0.491 337 K N -3.758 116.645 120.400 0.005 0.000 1.461 337 K HA 0.034 4.355 4.320 0.002 0.000 0.100 337 K C 0.680 177.266 176.600 -0.023 0.000 2.240 337 K CA 0.267 56.557 56.287 0.005 0.000 0.985 337 K CB -1.145 31.366 32.500 0.018 0.000 2.432 337 K HN 0.381 nan 8.250 nan 0.000 0.342 338 G N 1.313 110.076 108.800 -0.062 0.000 2.391 338 G HA2 -0.009 3.952 3.960 0.002 0.000 0.234 338 G HA3 -0.009 3.952 3.960 0.002 0.000 0.234 338 G C -0.102 174.762 174.900 -0.060 0.000 1.284 338 G CA 0.045 45.087 45.100 -0.097 0.000 0.873 338 G HN 0.377 nan 8.290 nan 0.000 0.549 339 N N 0.034 118.692 118.700 -0.071 0.000 2.515 339 N HA 0.000 4.741 4.740 0.002 0.000 0.191 339 N C -0.737 174.409 175.510 -0.608 0.000 1.182 339 N CA 0.471 53.355 53.050 -0.276 0.000 0.879 339 N CB 0.108 38.424 38.487 -0.285 0.000 0.984 339 N HN 0.521 nan 8.380 nan 0.000 0.453 340 Y N -0.839 119.469 120.300 0.014 0.000 2.520 340 Y HA 0.263 4.814 4.550 0.001 0.000 0.339 340 Y C -2.017 173.881 175.900 -0.004 0.000 1.113 340 Y CA -1.474 56.632 58.100 0.009 0.000 1.255 340 Y CB 1.427 39.895 38.460 0.014 0.000 1.099 340 Y HN 0.008 nan 8.280 nan 0.000 0.628 341 P HA -0.097 nan 4.420 nan 0.000 0.211 341 P C 1.670 179.006 177.300 0.059 0.000 1.188 341 P CA 1.237 64.371 63.100 0.056 0.000 0.904 341 P CB 0.505 32.222 31.700 0.028 0.000 0.765 342 I N -0.530 120.073 120.570 0.054 0.000 2.248 342 I HA -0.302 3.870 4.170 0.002 0.000 0.248 342 I C 1.610 177.757 176.117 0.050 0.000 1.107 342 I CA 2.219 63.545 61.300 0.044 0.000 1.373 342 I CB -1.959 36.064 38.000 0.038 0.000 1.055 342 I HN -0.156 nan 8.210 nan 0.000 0.418 343 N N 2.006 120.755 118.700 0.081 0.000 2.120 343 N HA -0.083 4.658 4.740 0.002 0.000 0.188 343 N C 1.993 177.526 175.510 0.038 0.000 1.024 343 N CA 1.648 54.737 53.050 0.064 0.000 0.852 343 N CB -0.532 38.014 38.487 0.098 0.000 1.003 343 N HN 0.551 nan 8.380 nan 0.000 0.424 344 A N 0.995 123.846 122.820 0.052 0.000 1.851 344 A HA -0.133 4.188 4.320 0.002 0.000 0.216 344 A C 2.397 179.991 177.584 0.017 0.000 1.195 344 A CA 1.598 53.652 52.037 0.028 0.000 0.622 344 A CB -1.161 17.858 19.000 0.032 0.000 0.831 344 A HN 0.099 nan 8.150 nan 0.000 0.444 345 V N 0.119 120.045 119.914 0.020 0.000 2.231 345 V HA -0.340 3.781 4.120 0.002 0.000 0.250 345 V C 2.768 178.867 176.094 0.008 0.000 1.058 345 V CA 2.775 65.082 62.300 0.012 0.000 1.022 345 V CB -1.608 30.222 31.823 0.012 0.000 0.640 345 V HN 0.679 nan 8.190 nan 0.000 0.445 346 T N -0.404 114.157 114.554 0.011 0.000 2.597 346 T HA -0.285 4.066 4.350 0.002 0.000 0.267 346 T C 1.879 176.582 174.700 0.005 0.000 1.053 346 T CA 2.381 64.485 62.100 0.007 0.000 1.165 346 T CB -0.721 68.152 68.868 0.009 0.000 0.863 346 T HN 0.598 nan 8.240 nan 0.000 0.427 347 T N 1.919 116.474 114.554 0.002 0.000 2.737 347 T HA -0.142 4.209 4.350 0.002 0.000 0.269 347 T C 1.909 176.609 174.700 0.000 0.000 1.040 347 T CA 1.596 63.695 62.100 -0.002 0.000 1.142 347 T CB -0.393 68.470 68.868 -0.009 0.000 0.861 347 T HN 0.337 nan 8.240 nan 0.000 0.456 348 M N 1.097 120.698 119.600 0.002 0.000 2.091 348 M HA -0.037 4.444 4.480 0.002 0.000 0.259 348 M C 2.588 178.891 176.300 0.006 0.000 1.076 348 M CA 1.996 57.297 55.300 0.002 0.000 1.111 348 M CB -0.496 32.105 32.600 0.000 0.000 1.291 348 M HN 0.248 nan 8.290 nan 0.000 0.417 349 A N 0.070 122.894 122.820 0.007 0.000 1.896 349 A HA -0.315 4.006 4.320 0.002 0.000 0.220 349 A C 1.918 179.513 177.584 0.019 0.000 1.206 349 A CA 2.518 54.563 52.037 0.013 0.000 0.647 349 A CB -1.321 17.686 19.000 0.011 0.000 0.828 349 A HN 0.741 nan 8.150 nan 0.000 0.455 350 E N -1.430 118.779 120.200 0.015 0.000 2.085 350 E HA -0.156 4.195 4.350 0.002 0.000 0.194 350 E C 2.149 178.760 176.600 0.018 0.000 0.994 350 E CA 1.751 58.161 56.400 0.016 0.000 0.801 350 E CB -0.203 29.503 29.700 0.010 0.000 0.743 350 E HN 0.672 nan 8.360 nan 0.000 0.453 351 T N 0.265 114.827 114.554 0.013 0.000 2.821 351 T HA -0.124 4.227 4.350 0.002 0.000 0.267 351 T C 1.876 176.589 174.700 0.020 0.000 1.046 351 T CA 1.056 63.163 62.100 0.013 0.000 1.139 351 T CB -0.197 68.675 68.868 0.006 0.000 0.871 351 T HN 0.257 nan 8.240 nan 0.000 0.454 352 A N 1.148 123.982 122.820 0.023 0.000 1.933 352 A HA -0.057 4.264 4.320 0.002 0.000 0.218 352 A C 2.553 180.168 177.584 0.051 0.000 1.175 352 A CA 1.342 53.399 52.037 0.034 0.000 0.628 352 A CB -0.981 18.037 19.000 0.031 0.000 0.814 352 A HN 0.374 nan 8.150 nan 0.000 0.444 353 V N -0.234 119.710 119.914 0.051 0.000 2.295 353 V HA -0.273 3.848 4.120 0.002 0.000 0.246 353 V C 2.355 178.488 176.094 0.065 0.000 1.049 353 V CA 2.121 64.460 62.300 0.066 0.000 1.024 353 V CB -0.771 31.086 31.823 0.056 0.000 0.648 353 V HN 0.508 nan 8.190 nan 0.000 0.447 354 I N 0.680 121.278 120.570 0.047 0.000 2.202 354 I HA -0.133 4.038 4.170 0.002 0.000 0.242 354 I C 2.607 178.748 176.117 0.040 0.000 1.091 354 I CA 1.568 62.893 61.300 0.041 0.000 1.368 354 I CB -0.959 37.056 38.000 0.026 0.000 1.058 354 I HN 0.185 nan 8.210 nan 0.000 0.410 355 A N 0.809 123.650 122.820 0.034 0.000 1.859 355 A HA -0.304 4.017 4.320 0.002 0.000 0.218 355 A C 2.105 179.710 177.584 0.035 0.000 1.209 355 A CA 2.361 54.413 52.037 0.025 0.000 0.639 355 A CB -1.097 17.917 19.000 0.023 0.000 0.835 355 A HN 0.593 nan 8.150 nan 0.000 0.450 356 E N -0.539 119.705 120.200 0.073 0.000 2.516 356 E HA -0.108 4.244 4.350 0.002 0.000 0.199 356 E C 1.692 178.395 176.600 0.171 0.000 1.069 356 E CA 0.775 57.252 56.400 0.128 0.000 0.876 356 E CB -0.108 29.710 29.700 0.196 0.000 0.843 356 E HN 0.788 nan 8.360 nan 0.000 0.530 357 Q N 0.157 120.024 119.800 0.112 0.000 2.402 357 Q HA 0.152 4.493 4.340 0.002 0.000 0.206 357 Q C 0.920 176.964 176.000 0.074 0.000 0.919 357 Q CA 0.460 56.335 55.803 0.119 0.000 0.923 357 Q CB 0.535 29.324 28.738 0.085 0.000 1.048 357 Q HN 0.253 nan 8.270 nan 0.000 0.515 358 A N 0.342 123.175 122.820 0.022 0.000 2.793 358 A HA 0.357 4.678 4.320 0.002 0.000 0.301 358 A C -0.262 177.273 177.584 -0.082 0.000 1.172 358 A CA -0.372 51.655 52.037 -0.016 0.000 0.973 358 A CB 0.134 19.128 19.000 -0.011 0.000 1.164 358 A HN 0.193 nan 8.150 nan 0.000 0.542 359 I N 0.137 120.603 120.570 -0.174 0.000 2.577 359 I HA 0.496 4.667 4.170 0.002 0.000 0.305 359 I C 0.588 176.436 176.117 -0.448 0.000 0.986 359 I CA -0.827 60.251 61.300 -0.370 0.000 1.189 359 I CB 2.036 39.654 38.000 -0.637 0.000 1.355 359 I HN 0.230 nan 8.210 nan 0.000 0.476 360 A N 4.466 127.076 122.820 -0.349 0.000 2.621 360 A HA 0.358 4.679 4.320 0.002 0.000 0.329 360 A C -0.080 177.374 177.584 -0.216 0.000 1.458 360 A CA -0.304 51.601 52.037 -0.219 0.000 1.052 360 A CB -0.330 18.602 19.000 -0.114 0.000 1.142 360 A HN 0.696 nan 8.150 nan 0.000 0.523 361 Y N 1.997 122.290 120.300 -0.012 0.000 2.130 361 Y HA -0.107 4.444 4.550 0.002 0.000 0.287 361 Y C 2.104 177.933 175.900 -0.118 0.000 1.124 361 Y CA 1.689 59.808 58.100 0.031 0.000 1.118 361 Y CB -0.486 38.030 38.460 0.094 0.000 0.994 361 Y HN 0.625 nan 8.280 nan 0.000 0.497 362 L N 1.561 122.571 121.223 -0.354 0.000 1.971 362 L HA -0.149 4.192 4.340 0.002 0.000 0.215 362 L C -0.593 176.266 176.870 -0.018 0.000 1.072 362 L CA 2.277 56.810 54.840 -0.511 0.000 0.758 362 L CB -1.951 39.836 42.059 -0.454 0.000 0.889 362 L HN 0.062 nan 8.230 nan 0.000 0.433 363 P HA -0.152 nan 4.420 nan 0.000 0.215 363 P C 1.222 178.573 177.300 0.084 0.000 1.157 363 P CA 1.895 65.017 63.100 0.037 0.000 0.863 363 P CB -0.280 31.418 31.700 -0.002 0.000 0.787 364 N N -1.130 117.623 118.700 0.088 0.000 2.094 364 N HA -0.234 4.507 4.740 0.002 0.000 0.191 364 N C 1.930 177.558 175.510 0.196 0.000 1.023 364 N CA 1.071 54.187 53.050 0.110 0.000 0.857 364 N CB -0.775 37.767 38.487 0.092 0.000 1.013 364 N HN 0.121 nan 8.380 nan 0.000 0.426 365 Y N 1.628 122.063 120.300 0.225 0.000 2.207 365 Y HA -0.222 4.330 4.550 0.002 0.000 0.287 365 Y C 1.719 177.772 175.900 0.254 0.000 1.156 365 Y CA 1.478 59.777 58.100 0.331 0.000 1.182 365 Y CB -0.320 38.471 38.460 0.550 0.000 0.979 365 Y HN 0.066 nan 8.280 nan 0.000 0.521 366 D N 0.143 120.562 120.400 0.032 0.000 2.097 366 D HA -0.190 4.451 4.640 0.002 0.000 0.195 366 D C 1.831 178.082 176.300 -0.082 0.000 0.989 366 D CA 1.695 55.648 54.000 -0.079 0.000 0.827 366 D CB -0.533 40.293 40.800 0.043 0.000 0.966 366 D HN 0.437 nan 8.370 nan 0.000 0.456 367 D N -0.156 120.234 120.400 -0.016 0.000 2.092 367 D HA -0.164 4.477 4.640 0.002 0.000 0.193 367 D C 2.012 178.301 176.300 -0.017 0.000 0.994 367 D CA 0.793 54.787 54.000 -0.010 0.000 0.828 367 D CB -0.177 40.627 40.800 0.007 0.000 0.963 367 D HN 0.008 nan 8.370 nan 0.000 0.450 368 M N 0.825 120.421 119.600 -0.008 0.000 2.080 368 M HA -0.157 4.325 4.480 0.002 0.000 0.260 368 M C 1.811 178.143 176.300 0.054 0.000 1.068 368 M CA 1.711 57.008 55.300 -0.004 0.000 1.109 368 M CB -0.428 32.174 32.600 0.003 0.000 1.342 368 M HN 0.033 nan 8.290 nan 0.000 0.405 369 R N -0.922 119.572 120.500 -0.009 0.000 2.323 369 R HA 0.101 4.442 4.340 0.002 0.000 0.198 369 R C 1.062 177.332 176.300 -0.051 0.000 0.988 369 R CA 1.145 57.225 56.100 -0.033 0.000 1.041 369 R CB -0.940 29.065 30.300 -0.492 0.000 0.926 369 R HN 0.342 nan 8.270 nan 0.000 0.476 370 N N -0.570 118.107 118.700 -0.038 0.000 2.414 370 N HA 0.042 4.783 4.740 0.002 0.000 0.177 370 N C -0.020 175.487 175.510 -0.005 0.000 1.062 370 N CA 0.408 53.443 53.050 -0.024 0.000 0.890 370 N CB 0.166 38.638 38.487 -0.025 0.000 1.070 370 N HN 0.202 nan 8.380 nan 0.000 0.454 371 C N 1.271 120.572 119.300 0.002 0.000 2.524 371 C HA 0.282 4.744 4.460 0.002 0.000 0.301 371 C C 0.987 175.986 174.990 0.015 0.000 1.296 371 C CA -0.075 58.946 59.018 0.004 0.000 1.683 371 C CB -1.947 25.792 27.740 -0.002 0.000 1.764 371 C HN 0.434 nan 8.230 nan 0.000 0.597 372 T N -3.170 111.401 114.554 0.028 0.000 2.792 372 T HA 0.493 4.844 4.350 0.002 0.000 0.303 372 T C -2.691 172.024 174.700 0.026 0.000 1.310 372 T CA -1.022 61.105 62.100 0.046 0.000 1.007 372 T CB 2.232 71.168 68.868 0.115 0.000 1.335 372 T HN -0.142 nan 8.240 nan 0.000 0.504 373 P HA 0.402 nan 4.420 nan 0.000 0.258 373 P C 0.198 177.509 177.300 0.018 0.000 1.251 373 P CA 0.662 63.779 63.100 0.028 0.000 0.694 373 P CB 0.557 32.266 31.700 0.015 0.000 1.439 374 K N -2.530 117.877 120.400 0.011 0.000 1.774 374 K HA 0.085 4.406 4.320 0.002 0.000 0.095 374 K C -2.171 174.432 176.600 0.005 0.000 1.841 374 K CA 0.026 56.317 56.287 0.007 0.000 0.754 374 K CB -1.038 31.466 32.500 0.007 0.000 2.891 374 K HN 0.397 nan 8.250 nan 0.000 0.567 375 P HA 0.354 nan 4.420 nan 0.000 0.285 375 P C -0.110 177.198 177.300 0.013 0.000 1.285 375 P CA -0.254 62.851 63.100 0.007 0.000 0.854 375 P CB 0.832 32.535 31.700 0.004 0.000 1.180 376 T N -1.176 113.389 114.554 0.018 0.000 2.680 376 T HA 0.281 4.632 4.350 0.002 0.000 0.314 376 T C 0.656 175.369 174.700 0.022 0.000 1.045 376 T CA -0.542 61.577 62.100 0.031 0.000 1.025 376 T CB -0.335 68.556 68.868 0.038 0.000 1.000 376 T HN 0.628 nan 8.240 nan 0.000 0.535 377 S N -0.569 115.148 115.700 0.029 0.000 2.617 377 S HA 0.279 4.750 4.470 0.002 0.000 0.283 377 S C 1.441 176.054 174.600 0.021 0.000 1.189 377 S CA -0.395 57.817 58.200 0.019 0.000 1.036 377 S CB 0.776 63.985 63.200 0.014 0.000 1.014 377 S HN 0.694 nan 8.310 nan 0.000 0.522 378 T N 1.961 116.525 114.554 0.018 0.000 2.620 378 T HA -0.210 4.141 4.350 0.002 0.000 0.267 378 T C 1.950 176.667 174.700 0.029 0.000 1.044 378 T CA 2.436 64.549 62.100 0.021 0.000 1.161 378 T CB -1.246 67.639 68.868 0.028 0.000 0.862 378 T HN 0.899 nan 8.240 nan 0.000 0.438 379 T N 0.542 115.119 114.554 0.038 0.000 2.915 379 T HA -0.070 4.282 4.350 0.002 0.000 0.269 379 T C 1.901 176.632 174.700 0.052 0.000 1.071 379 T CA 1.685 63.815 62.100 0.049 0.000 1.132 379 T CB -0.223 68.679 68.868 0.057 0.000 0.878 379 T HN 0.599 nan 8.240 nan 0.000 0.479 380 E N -0.347 119.888 120.200 0.058 0.000 2.112 380 E HA -0.052 4.299 4.350 0.002 0.000 0.190 380 E C 2.139 178.766 176.600 0.046 0.000 0.979 380 E CA 1.193 57.656 56.400 0.105 0.000 0.814 380 E CB -0.099 29.679 29.700 0.131 0.000 0.762 380 E HN 0.472 nan 8.360 nan 0.000 0.460 381 T N 0.179 114.739 114.554 0.010 0.000 2.746 381 T HA -0.150 4.201 4.350 0.002 0.000 0.267 381 T C 1.790 176.460 174.700 -0.050 0.000 1.039 381 T CA 1.298 63.379 62.100 -0.032 0.000 1.142 381 T CB -0.155 68.704 68.868 -0.015 0.000 0.866 381 T HN 0.141 nan 8.240 nan 0.000 0.444 382 V N 0.932 120.833 119.914 -0.022 0.000 2.788 382 V HA 0.200 4.321 4.120 0.002 0.000 0.251 382 V C 2.453 178.527 176.094 -0.034 0.000 1.068 382 V CA 1.336 63.619 62.300 -0.028 0.000 1.090 382 V CB -0.789 31.028 31.823 -0.010 0.000 0.710 382 V HN 0.458 nan 8.190 nan 0.000 0.467 383 A N 0.394 123.210 122.820 -0.006 0.000 1.873 383 A HA 0.011 4.333 4.320 0.002 0.000 0.215 383 A C 2.456 180.019 177.584 -0.035 0.000 1.186 383 A CA 2.100 54.157 52.037 0.032 0.000 0.616 383 A CB -1.082 18.000 19.000 0.137 0.000 0.823 383 A HN 0.831 nan 8.150 nan 0.000 0.442 384 A N -1.045 121.647 122.820 -0.212 0.000 1.858 384 A HA -0.105 4.216 4.320 0.002 0.000 0.216 384 A C 2.482 179.973 177.584 -0.155 0.000 1.190 384 A CA 2.136 53.917 52.037 -0.425 0.000 0.617 384 A CB -1.151 17.378 19.000 -0.785 0.000 0.827 384 A HN 0.475 nan 8.150 nan 0.000 0.443 385 S N -0.664 114.962 115.700 -0.123 0.000 2.387 385 S HA -0.118 4.354 4.470 0.002 0.000 0.230 385 S C 2.157 176.678 174.600 -0.131 0.000 1.035 385 S CA 1.556 59.700 58.200 -0.092 0.000 1.014 385 S CB -0.465 62.694 63.200 -0.068 0.000 0.836 385 S HN 0.795 nan 8.310 nan 0.000 0.466 386 A N 0.581 123.325 122.820 -0.127 0.000 1.858 386 A HA -0.046 4.276 4.320 0.002 0.000 0.216 386 A C 2.288 179.733 177.584 -0.231 0.000 1.190 386 A CA 1.808 53.762 52.037 -0.139 0.000 0.617 386 A CB -1.022 17.926 19.000 -0.087 0.000 0.827 386 A HN 0.413 nan 8.150 nan 0.000 0.443 387 V N 0.036 119.776 119.914 -0.290 0.000 2.407 387 V HA -0.251 3.870 4.120 0.002 0.000 0.248 387 V C 3.016 178.615 176.094 -0.825 0.000 1.055 387 V CA 1.803 63.780 62.300 -0.539 0.000 1.049 387 V CB -1.367 30.166 31.823 -0.484 0.000 0.662 387 V HN 0.636 nan 8.190 nan 0.000 0.455 388 A N 0.445 122.893 122.820 -0.620 0.000 1.851 388 A HA -0.220 4.101 4.320 0.002 0.000 0.216 388 A C 2.500 179.910 177.584 -0.290 0.000 1.195 388 A CA 2.482 54.248 52.037 -0.450 0.000 0.622 388 A CB -1.098 17.806 19.000 -0.161 0.000 0.831 388 A HN 0.605 nan 8.150 nan 0.000 0.444 389 A N -0.653 122.034 122.820 -0.221 0.000 1.948 389 A HA -0.082 4.239 4.320 0.002 0.000 0.220 389 A C 2.245 179.731 177.584 -0.164 0.000 1.177 389 A CA 2.107 54.053 52.037 -0.152 0.000 0.636 389 A CB -1.173 17.744 19.000 -0.138 0.000 0.815 389 A HN 0.493 nan 8.150 nan 0.000 0.449 390 V N -0.861 118.887 119.914 -0.277 0.000 2.231 390 V HA -0.308 3.813 4.120 0.002 0.000 0.248 390 V C 2.320 178.346 176.094 -0.112 0.000 1.054 390 V CA 2.392 64.538 62.300 -0.258 0.000 1.015 390 V CB -1.166 30.390 31.823 -0.446 0.000 0.638 390 V HN 0.560 nan 8.190 nan 0.000 0.444 391 F N 0.263 120.141 119.950 -0.121 0.000 2.202 391 F HA -0.124 4.404 4.527 0.002 0.000 0.301 391 F C 2.479 178.246 175.800 -0.054 0.000 1.082 391 F CA 1.007 58.956 58.000 -0.084 0.000 1.313 391 F CB -0.836 38.107 39.000 -0.096 0.000 1.024 391 F HN 0.264 nan 8.300 nan 0.000 0.495 392 E N -0.227 120.038 120.200 0.107 0.000 2.014 392 E HA -0.133 4.219 4.350 0.002 0.000 0.190 392 E C 2.130 178.747 176.600 0.028 0.000 0.980 392 E CA 0.717 57.150 56.400 0.054 0.000 0.807 392 E CB -0.474 29.236 29.700 0.017 0.000 0.770 392 E HN 0.394 nan 8.360 nan 0.000 0.451 393 Q N 0.491 120.290 119.800 -0.001 0.000 2.436 393 Q HA -0.030 4.311 4.340 0.002 0.000 0.209 393 Q C -0.115 175.889 176.000 0.005 0.000 0.965 393 Q CA 0.284 56.081 55.803 -0.009 0.000 0.910 393 Q CB 0.187 28.904 28.738 -0.035 0.000 0.980 393 Q HN 0.220 nan 8.270 nan 0.000 0.491 394 K N -0.258 120.155 120.400 0.022 0.000 3.239 394 K HA -0.149 4.172 4.320 0.002 0.000 0.270 394 K C -0.571 176.036 176.600 0.011 0.000 1.049 394 K CA 0.425 56.733 56.287 0.035 0.000 0.769 394 K CB -1.742 30.779 32.500 0.035 0.000 1.305 394 K HN 0.257 nan 8.250 nan 0.000 0.469 395 A N 1.448 124.261 122.820 -0.011 0.000 2.488 395 A HA 0.078 4.399 4.320 0.002 0.000 0.249 395 A C 1.211 178.789 177.584 -0.009 0.000 1.083 395 A CA 0.060 52.090 52.037 -0.011 0.000 0.768 395 A CB 0.366 19.345 19.000 -0.035 0.000 1.017 395 A HN 0.288 nan 8.150 nan 0.000 0.496 396 K N 0.509 120.911 120.400 0.004 0.000 2.487 396 K HA 0.285 4.606 4.320 0.002 0.000 0.192 396 K C 0.249 176.829 176.600 -0.033 0.000 1.027 396 K CA 1.061 57.340 56.287 -0.014 0.000 1.054 396 K CB -0.202 32.289 32.500 -0.014 0.000 0.824 396 K HN 0.935 nan 8.250 nan 0.000 0.510 397 A N 0.738 123.548 122.820 -0.017 0.000 2.571 397 A HA 0.425 4.747 4.320 0.002 0.000 0.296 397 A C -1.729 175.864 177.584 0.015 0.000 1.005 397 A CA -0.830 51.188 52.037 -0.030 0.000 0.682 397 A CB 0.707 19.660 19.000 -0.079 0.000 1.292 397 A HN 0.176 nan 8.150 nan 0.000 0.420 398 I N 2.937 123.507 120.570 0.001 0.000 2.420 398 I HA 0.546 4.717 4.170 0.002 0.000 0.282 398 I C -1.085 175.052 176.117 0.033 0.000 1.019 398 I CA -0.956 60.355 61.300 0.019 0.000 1.130 398 I CB 0.411 38.398 38.000 -0.022 0.000 1.262 398 I HN 0.508 nan 8.210 nan 0.000 0.454 399 I N 7.951 128.559 120.570 0.063 0.000 2.416 399 I HA 0.298 4.470 4.170 0.002 0.000 0.288 399 I C -0.089 176.053 176.117 0.042 0.000 1.051 399 I CA -0.408 60.915 61.300 0.038 0.000 1.375 399 I CB 1.097 39.119 38.000 0.037 0.000 1.407 399 I HN 0.417 nan 8.210 nan 0.000 0.516 400 V N 8.355 128.295 119.914 0.042 0.000 2.612 400 V HA 0.497 4.618 4.120 0.002 0.000 0.301 400 V C -0.861 175.271 176.094 0.063 0.000 1.059 400 V CA -0.656 61.674 62.300 0.051 0.000 0.886 400 V CB 2.000 33.858 31.823 0.058 0.000 1.007 400 V HN 0.564 nan 8.190 nan 0.000 0.426 401 L N 4.953 126.215 121.223 0.065 0.000 2.309 401 L HA 1.018 5.359 4.340 0.002 0.000 0.282 401 L C 0.084 177.019 176.870 0.108 0.000 1.036 401 L CA -0.124 54.764 54.840 0.081 0.000 0.806 401 L CB 1.536 43.639 42.059 0.073 0.000 1.220 401 L HN 0.786 nan 8.230 nan 0.000 0.429 402 S N -0.047 115.725 115.700 0.120 0.000 2.567 402 S HA 0.549 5.020 4.470 0.002 0.000 0.270 402 S C 0.167 174.849 174.600 0.138 0.000 1.152 402 S CA 0.128 58.413 58.200 0.142 0.000 0.835 402 S CB 1.739 65.029 63.200 0.149 0.000 1.115 402 S HN 0.978 nan 8.310 nan 0.000 0.459 403 T N -1.117 113.528 114.554 0.153 0.000 2.971 403 T HA 0.239 4.590 4.350 0.002 0.000 0.252 403 T C 1.369 176.172 174.700 0.171 0.000 1.022 403 T CA 1.036 63.217 62.100 0.135 0.000 0.980 403 T CB 0.004 68.940 68.868 0.114 0.000 1.044 403 T HN 0.904 nan 8.240 nan 0.000 0.501 404 S N -0.379 115.447 115.700 0.211 0.000 2.539 404 S HA 0.474 4.946 4.470 0.002 0.000 0.221 404 S C 1.938 176.729 174.600 0.317 0.000 0.987 404 S CA 0.911 59.261 58.200 0.249 0.000 0.929 404 S CB -0.477 62.844 63.200 0.201 0.000 0.832 404 S HN 1.255 nan 8.310 nan 0.000 0.492 405 G N 0.804 109.785 108.800 0.302 0.000 2.267 405 G HA2 -0.375 3.586 3.960 0.002 0.000 0.257 405 G HA3 -0.375 3.586 3.960 0.002 0.000 0.257 405 G C 1.067 176.091 174.900 0.206 0.000 0.998 405 G CA 0.926 46.250 45.100 0.373 0.000 0.620 405 G HN 0.533 nan 8.290 nan 0.000 0.529 406 T N 1.107 115.743 114.554 0.137 0.000 2.536 406 T HA -0.218 4.133 4.350 0.002 0.000 0.263 406 T C 2.455 177.164 174.700 0.015 0.000 1.115 406 T CA 2.901 65.025 62.100 0.040 0.000 1.180 406 T CB -0.897 67.997 68.868 0.043 0.000 0.864 406 T HN 0.545 nan 8.240 nan 0.000 0.419 407 T N 2.688 117.284 114.554 0.070 0.000 2.597 407 T HA -0.112 4.239 4.350 0.002 0.000 0.267 407 T C -0.537 174.188 174.700 0.042 0.000 1.053 407 T CA 1.927 64.066 62.100 0.066 0.000 1.165 407 T CB -1.363 67.564 68.868 0.098 0.000 0.863 407 T HN 0.437 nan 8.240 nan 0.000 0.427 408 P HA -0.087 nan 4.420 nan 0.000 0.221 408 P C 1.346 178.629 177.300 -0.029 0.000 1.145 408 P CA 1.196 64.334 63.100 0.064 0.000 0.795 408 P CB -0.001 31.778 31.700 0.133 0.000 0.775 409 R N -0.445 119.948 120.500 -0.179 0.000 2.060 409 R HA -0.031 4.310 4.340 0.002 0.000 0.225 409 R C 2.305 178.485 176.300 -0.200 0.000 1.155 409 R CA 1.041 56.867 56.100 -0.457 0.000 0.930 409 R CB -1.003 28.944 30.300 -0.589 0.000 0.829 409 R HN 0.013 nan 8.270 nan 0.000 0.433 410 L N 0.618 121.780 121.223 -0.101 0.000 2.270 410 L HA -0.196 4.145 4.340 0.002 0.000 0.217 410 L C 2.149 179.088 176.870 0.114 0.000 1.107 410 L CA 1.277 56.123 54.840 0.010 0.000 0.772 410 L CB -0.495 41.606 42.059 0.069 0.000 0.902 410 L HN 0.112 nan 8.230 nan 0.000 0.439 411 V N -2.384 117.576 119.914 0.076 0.000 2.488 411 V HA -0.183 3.938 4.120 0.002 0.000 0.246 411 V C 2.526 178.686 176.094 0.110 0.000 1.046 411 V CA 1.578 63.946 62.300 0.114 0.000 1.053 411 V CB -0.228 31.636 31.823 0.068 0.000 0.679 411 V HN 0.472 nan 8.190 nan 0.000 0.458 412 S N -0.658 115.074 115.700 0.052 0.000 2.402 412 S HA -0.206 4.265 4.470 0.002 0.000 0.229 412 S C 2.103 176.733 174.600 0.051 0.000 1.021 412 S CA 1.651 59.890 58.200 0.065 0.000 0.974 412 S CB -0.229 63.004 63.200 0.055 0.000 0.800 412 S HN 0.554 nan 8.310 nan 0.000 0.484 413 K N 0.102 120.482 120.400 -0.032 0.000 1.977 413 K HA -0.165 4.156 4.320 0.002 0.000 0.218 413 K C 0.946 177.479 176.600 -0.112 0.000 1.051 413 K CA 1.812 58.007 56.287 -0.155 0.000 0.953 413 K CB -0.553 31.723 32.500 -0.373 0.000 0.727 413 K HN 0.467 nan 8.250 nan 0.000 0.445 414 Y N 1.813 122.199 120.300 0.142 0.000 2.663 414 Y HA 0.044 4.595 4.550 0.002 0.000 0.342 414 Y C 0.077 176.147 175.900 0.283 0.000 1.224 414 Y CA 0.079 58.345 58.100 0.277 0.000 1.268 414 Y CB -0.889 37.795 38.460 0.375 0.000 1.070 414 Y HN 0.108 nan 8.280 nan 0.000 0.491 415 R N 1.758 122.426 120.500 0.279 0.000 4.048 415 R HA -0.194 4.147 4.340 0.002 0.000 0.110 415 R C -2.662 173.807 176.300 0.282 0.000 0.432 415 R CA -0.255 56.006 56.100 0.269 0.000 0.770 415 R CB -0.266 30.222 30.300 0.313 0.000 1.125 415 R HN 0.163 nan 8.270 nan 0.000 0.220 416 P HA 0.115 nan 4.420 nan 0.000 0.287 416 P C -0.815 176.316 177.300 -0.281 0.000 1.270 416 P CA -0.776 62.244 63.100 -0.133 0.000 0.844 416 P CB 0.826 32.387 31.700 -0.231 0.000 1.068 417 N N 0.303 118.758 118.700 -0.408 0.000 2.471 417 N HA 0.031 4.772 4.740 0.002 0.000 0.205 417 N C -0.037 175.284 175.510 -0.315 0.000 1.251 417 N CA -0.318 52.229 53.050 -0.839 0.000 0.843 417 N CB -1.169 36.983 38.487 -0.559 0.000 1.044 417 N HN 0.465 nan 8.380 nan 0.000 0.461 418 C N -3.458 115.729 119.300 -0.188 0.000 3.080 418 C HA 0.766 5.228 4.460 0.002 0.000 0.307 418 C C -2.964 172.016 174.990 -0.016 0.000 1.311 418 C CA -2.332 56.637 59.018 -0.083 0.000 1.533 418 C CB 1.581 29.274 27.740 -0.078 0.000 1.970 418 C HN 0.069 nan 8.230 nan 0.000 0.467 419 P HA 0.411 nan 4.420 nan 0.000 0.271 419 P C -0.816 176.533 177.300 0.082 0.000 1.218 419 P CA 0.005 63.150 63.100 0.074 0.000 0.780 419 P CB 0.243 31.817 31.700 -0.210 0.000 0.901 420 I N 3.145 123.848 120.570 0.221 0.000 2.479 420 I HA 0.201 4.373 4.170 0.002 0.000 0.279 420 I C -0.028 176.208 176.117 0.198 0.000 1.102 420 I CA -0.215 61.182 61.300 0.162 0.000 1.196 420 I CB -0.299 37.793 38.000 0.154 0.000 1.427 420 I HN 0.181 nan 8.210 nan 0.000 0.503 421 I N 5.578 126.215 120.570 0.112 0.000 2.578 421 I HA -0.005 4.166 4.170 0.002 0.000 0.286 421 I C 0.030 176.209 176.117 0.103 0.000 1.126 421 I CA 0.185 61.556 61.300 0.117 0.000 1.380 421 I CB 0.193 38.189 38.000 -0.006 0.000 1.408 421 I HN 0.360 nan 8.210 nan 0.000 0.532 422 L N 8.597 129.896 121.223 0.128 0.000 2.265 422 L HA 0.569 4.910 4.340 0.002 0.000 0.289 422 L C -0.549 176.385 176.870 0.108 0.000 1.033 422 L CA -0.158 54.740 54.840 0.096 0.000 0.814 422 L CB 1.087 43.197 42.059 0.085 0.000 1.203 422 L HN 0.252 nan 8.230 nan 0.000 0.423 423 V N 4.715 124.683 119.914 0.091 0.000 2.509 423 V HA 0.692 4.813 4.120 0.002 0.000 0.284 423 V C 0.397 176.567 176.094 0.126 0.000 1.047 423 V CA -0.065 62.308 62.300 0.121 0.000 0.952 423 V CB 1.360 33.213 31.823 0.051 0.000 0.988 423 V HN 0.954 nan 8.190 nan 0.000 0.469 424 T N 3.915 118.573 114.554 0.175 0.000 2.802 424 T HA 0.409 4.760 4.350 0.002 0.000 0.311 424 T C 0.467 175.281 174.700 0.191 0.000 1.405 424 T CA -0.598 61.590 62.100 0.147 0.000 1.016 424 T CB 1.785 70.701 68.868 0.080 0.000 1.352 424 T HN 0.622 nan 8.240 nan 0.000 0.498 425 R N 0.240 120.830 120.500 0.151 0.000 2.123 425 R HA 0.236 4.577 4.340 0.002 0.000 0.209 425 R C 0.799 177.138 176.300 0.066 0.000 1.078 425 R CA 0.166 56.345 56.100 0.132 0.000 1.028 425 R CB -0.407 29.958 30.300 0.109 0.000 0.939 425 R HN 0.542 nan 8.270 nan 0.000 0.463 426 C N 3.423 122.749 119.300 0.043 0.000 2.611 426 C HA 0.034 4.495 4.460 0.002 0.000 0.416 426 C C -0.815 174.152 174.990 -0.038 0.000 1.366 426 C CA -0.958 58.062 59.018 0.003 0.000 1.761 426 C CB 1.111 28.850 27.740 -0.001 0.000 2.619 426 C HN 0.354 nan 8.230 nan 0.000 0.606 427 P HA 0.023 nan 4.420 nan 0.000 0.228 427 P C 1.224 178.449 177.300 -0.125 0.000 1.166 427 P CA 0.972 64.038 63.100 -0.056 0.000 0.812 427 P CB 0.075 31.771 31.700 -0.007 0.000 0.857 428 R N 0.289 120.715 120.500 -0.123 0.000 2.062 428 R HA 0.141 4.482 4.340 0.002 0.000 0.226 428 R C 2.424 178.260 176.300 -0.773 0.000 1.125 428 R CA 1.289 57.288 56.100 -0.168 0.000 0.966 428 R CB -1.342 28.991 30.300 0.054 0.000 0.861 428 R HN 0.078 nan 8.270 nan 0.000 0.433 429 A N 2.132 124.456 122.820 -0.826 0.000 1.873 429 A HA -0.177 4.144 4.320 0.002 0.000 0.218 429 A C 2.437 179.413 177.584 -1.014 0.000 1.193 429 A CA 2.067 53.296 52.037 -1.346 0.000 0.629 429 A CB -0.816 17.983 19.000 -0.336 0.000 0.826 429 A HN 0.398 nan 8.150 nan 0.000 0.447 430 A N -1.333 121.172 122.820 -0.525 0.000 2.178 430 A HA -0.089 4.232 4.320 0.002 0.000 0.218 430 A C 2.155 179.406 177.584 -0.556 0.000 1.157 430 A CA 1.737 53.526 52.037 -0.413 0.000 0.689 430 A CB -0.373 18.489 19.000 -0.229 0.000 0.787 430 A HN 0.561 nan 8.150 nan 0.000 0.465 431 R N -1.104 119.029 120.500 -0.611 0.000 2.055 431 R HA 0.064 4.405 4.340 0.002 0.000 0.221 431 R C 1.757 177.805 176.300 -0.420 0.000 1.154 431 R CA 1.491 57.257 56.100 -0.557 0.000 0.975 431 R CB -0.372 29.433 30.300 -0.826 0.000 0.869 431 R HN 0.669 nan 8.270 nan 0.000 0.437 432 F N -0.411 119.385 119.950 -0.257 0.000 2.699 432 F HA 0.215 4.743 4.527 0.002 0.000 0.298 432 F C 1.588 177.167 175.800 -0.369 0.000 1.154 432 F CA 0.068 57.948 58.000 -0.199 0.000 1.457 432 F CB -0.896 38.055 39.000 -0.081 0.000 1.106 432 F HN -0.184 nan 8.300 nan 0.000 0.585 433 S N -0.019 115.582 115.700 -0.165 0.000 2.442 433 S HA -0.196 4.276 4.470 0.002 0.000 0.236 433 S C 1.573 175.962 174.600 -0.353 0.000 1.007 433 S CA 1.230 59.303 58.200 -0.212 0.000 0.965 433 S CB -0.823 62.261 63.200 -0.193 0.000 0.773 433 S HN 0.667 nan 8.310 nan 0.000 0.504 434 H N 0.336 119.276 119.070 -0.217 0.000 2.518 434 H HA 0.114 4.671 4.556 0.002 0.000 0.289 434 H C 1.721 176.926 175.328 -0.205 0.000 1.051 434 H CA 0.602 56.533 56.048 -0.194 0.000 1.280 434 H CB -0.046 29.623 29.762 -0.156 0.000 1.380 434 H HN 0.251 nan 8.280 nan 0.000 0.566 435 L N 0.772 121.852 121.223 -0.239 0.000 2.549 435 L HA -0.130 4.211 4.340 0.002 0.000 0.230 435 L C -0.392 176.353 176.870 -0.208 0.000 1.162 435 L CA 0.463 55.142 54.840 -0.268 0.000 0.834 435 L CB -0.000 41.834 42.059 -0.375 0.000 0.947 435 L HN 0.303 nan 8.230 nan 0.000 0.452 436 Y N -0.902 119.443 120.300 0.075 0.000 2.364 436 Y HA 0.387 4.938 4.550 0.002 0.000 0.340 436 Y C 0.418 176.338 175.900 0.033 0.000 0.975 436 Y CA -1.777 56.354 58.100 0.051 0.000 1.089 436 Y CB 0.565 39.060 38.460 0.058 0.000 1.192 436 Y HN -0.118 nan 8.280 nan 0.000 0.454 437 R N 1.007 121.620 120.500 0.188 0.000 2.537 437 R HA 0.379 4.720 4.340 0.002 0.000 0.280 437 R C 1.013 177.392 176.300 0.131 0.000 1.058 437 R CA 1.324 57.494 56.100 0.118 0.000 1.057 437 R CB -0.015 30.356 30.300 0.118 0.000 0.973 437 R HN 1.069 nan 8.270 nan 0.000 0.438 438 G N 2.341 111.199 108.800 0.097 0.000 2.241 438 G HA2 -0.269 3.692 3.960 0.002 0.000 0.244 438 G HA3 -0.269 3.692 3.960 0.002 0.000 0.244 438 G C -0.037 174.995 174.900 0.221 0.000 0.998 438 G CA 0.070 45.282 45.100 0.186 0.000 0.621 438 G HN 0.548 nan 8.290 nan 0.000 0.519 439 V N 1.068 121.038 119.914 0.093 0.000 2.614 439 V HA 0.579 4.700 4.120 0.002 0.000 0.291 439 V C -0.025 176.000 176.094 -0.114 0.000 1.049 439 V CA 0.355 62.715 62.300 0.099 0.000 1.038 439 V CB 0.997 32.890 31.823 0.116 0.000 0.980 439 V HN 0.244 nan 8.190 nan 0.000 0.481 440 F N 5.502 125.435 119.950 -0.029 0.000 2.676 440 F HA 0.427 4.956 4.527 0.002 0.000 0.371 440 F C -2.279 173.315 175.800 -0.343 0.000 1.141 440 F CA -2.307 55.604 58.000 -0.149 0.000 1.133 440 F CB 1.401 40.348 39.000 -0.088 0.000 1.376 440 F HN 0.360 nan 8.300 nan 0.000 0.491 441 P HA 0.205 nan 4.420 nan 0.000 0.272 441 P C -0.946 176.009 177.300 -0.575 0.000 1.223 441 P CA 0.028 62.923 63.100 -0.342 0.000 0.784 441 P CB 0.600 32.037 31.700 -0.437 0.000 0.923 442 F N 0.222 120.157 119.950 -0.026 0.000 2.689 442 F HA 0.171 4.699 4.527 0.002 0.000 0.332 442 F C -0.545 175.346 175.800 0.152 0.000 1.209 442 F CA -0.752 57.259 58.000 0.018 0.000 1.028 442 F CB 1.116 40.034 39.000 -0.137 0.000 1.291 442 F HN -0.066 nan 8.300 nan 0.000 0.500 443 V N 3.686 123.817 119.914 0.362 0.000 2.583 443 V HA 0.229 4.350 4.120 0.002 0.000 0.287 443 V C -0.410 175.958 176.094 0.456 0.000 1.051 443 V CA -0.437 62.049 62.300 0.310 0.000 1.010 443 V CB 1.077 33.001 31.823 0.168 0.000 0.988 443 V HN 0.503 nan 8.190 nan 0.000 0.478 444 F N 3.228 123.256 119.950 0.130 0.000 2.411 444 F HA 0.503 5.032 4.527 0.002 0.000 0.352 444 F C 0.853 176.597 175.800 -0.093 0.000 1.123 444 F CA -1.232 56.718 58.000 -0.084 0.000 1.044 444 F CB 1.743 40.693 39.000 -0.083 0.000 1.135 444 F HN 0.666 nan 8.300 nan 0.000 0.461 445 E N 2.369 122.333 120.200 -0.393 0.000 2.166 445 E HA 0.050 4.401 4.350 0.002 0.000 0.192 445 E C 0.120 176.399 176.600 -0.536 0.000 0.967 445 E CA 0.143 56.340 56.400 -0.340 0.000 0.840 445 E CB -0.089 29.478 29.700 -0.223 0.000 0.795 445 E HN 0.370 nan 8.360 nan 0.000 0.470 446 K N 2.659 122.483 120.400 -0.960 0.000 2.365 446 K HA -0.090 4.232 4.320 0.002 0.000 0.268 446 K C -0.192 176.052 176.600 -0.593 0.000 1.173 446 K CA 0.326 56.102 56.287 -0.852 0.000 1.204 446 K CB 0.074 31.847 32.500 -1.211 0.000 0.832 446 K HN 0.188 nan 8.250 nan 0.000 0.481 447 E N 4.269 124.286 120.200 -0.305 0.000 2.436 447 E HA -0.017 4.334 4.350 0.002 0.000 0.262 447 E C -2.003 174.533 176.600 -0.106 0.000 1.063 447 E CA -1.238 55.062 56.400 -0.166 0.000 0.944 447 E CB 0.222 29.854 29.700 -0.114 0.000 0.950 447 E HN 0.451 nan 8.360 nan 0.000 0.444 448 P HA -0.102 nan 4.420 nan 0.000 0.264 448 P C 0.303 177.609 177.300 0.009 0.000 1.179 448 P CA 0.207 63.318 63.100 0.018 0.000 0.763 448 P CB 0.535 32.236 31.700 0.002 0.000 0.806 449 V N 2.383 122.323 119.914 0.044 0.000 2.801 449 V HA -0.035 4.086 4.120 0.002 0.000 0.145 449 V C 2.207 178.320 176.094 0.030 0.000 1.059 449 V CA 1.087 63.407 62.300 0.033 0.000 1.425 449 V CB -1.153 30.702 31.823 0.052 0.000 0.956 449 V HN 0.588 nan 8.190 nan 0.000 0.425 450 S N -0.840 114.886 115.700 0.043 0.000 2.591 450 S HA 0.127 4.599 4.470 0.002 0.000 0.235 450 S C 0.200 174.840 174.600 0.067 0.000 1.074 450 S CA -0.042 58.183 58.200 0.042 0.000 0.925 450 S CB 0.053 63.274 63.200 0.036 0.000 0.818 450 S HN 0.841 nan 8.310 nan 0.000 0.535 451 D N -0.722 119.734 120.400 0.093 0.000 2.340 451 D HA 0.127 4.768 4.640 0.002 0.000 0.240 451 D C -0.622 175.816 176.300 0.229 0.000 1.001 451 D CA -0.651 53.436 54.000 0.145 0.000 0.888 451 D CB 0.771 41.644 40.800 0.122 0.000 1.310 451 D HN 0.202 nan 8.370 nan 0.000 0.474 452 W N 2.000 123.338 121.300 0.063 0.000 3.316 452 W HA -0.006 4.655 4.660 0.002 0.000 0.258 452 W C 1.105 177.651 176.519 0.046 0.000 1.330 452 W CA 0.384 57.776 57.345 0.079 0.000 1.595 452 W CB -0.619 28.923 29.460 0.137 0.000 1.088 452 W HN 0.564 nan 8.180 nan 0.000 0.734 453 T N -5.730 108.924 114.554 0.166 0.000 2.969 453 T HA 0.086 4.437 4.350 0.002 0.000 0.258 453 T C 1.097 175.800 174.700 0.005 0.000 0.962 453 T CA 0.472 62.563 62.100 -0.015 0.000 0.903 453 T CB 0.159 68.988 68.868 -0.066 0.000 1.177 453 T HN -0.191 nan 8.240 nan 0.000 0.511 454 D N 0.953 121.389 120.400 0.060 0.000 2.431 454 D HA 0.152 4.793 4.640 0.002 0.000 0.227 454 D C 1.477 177.822 176.300 0.074 0.000 1.030 454 D CA 0.491 54.521 54.000 0.049 0.000 0.897 454 D CB 0.329 41.159 40.800 0.049 0.000 1.058 454 D HN 0.362 nan 8.370 nan 0.000 0.500 455 D N 0.518 120.988 120.400 0.117 0.000 2.077 455 D HA -0.151 4.490 4.640 0.002 0.000 0.196 455 D C 2.249 178.626 176.300 0.129 0.000 0.986 455 D CA 2.059 56.147 54.000 0.146 0.000 0.829 455 D CB -0.029 40.878 40.800 0.177 0.000 0.983 455 D HN 0.061 nan 8.370 nan 0.000 0.453 456 V N -0.615 119.389 119.914 0.150 0.000 2.380 456 V HA -0.205 3.916 4.120 0.002 0.000 0.251 456 V C 2.177 178.286 176.094 0.024 0.000 1.063 456 V CA 2.116 64.476 62.300 0.100 0.000 1.055 456 V CB -0.675 31.200 31.823 0.086 0.000 0.657 456 V HN 0.154 nan 8.190 nan 0.000 0.455 457 E N 1.118 121.328 120.200 0.017 0.000 2.031 457 E HA -0.150 4.201 4.350 0.002 0.000 0.193 457 E C 2.369 178.970 176.600 0.001 0.000 0.994 457 E CA 1.893 58.293 56.400 0.000 0.000 0.800 457 E CB -0.591 29.108 29.700 -0.003 0.000 0.752 457 E HN 0.713 nan 8.360 nan 0.000 0.447 458 A N 0.907 123.740 122.820 0.022 0.000 2.024 458 A HA -0.200 4.122 4.320 0.002 0.000 0.220 458 A C 2.231 179.772 177.584 -0.072 0.000 1.164 458 A CA 1.716 53.773 52.037 0.033 0.000 0.643 458 A CB -0.417 18.647 19.000 0.108 0.000 0.806 458 A HN 0.121 nan 8.150 nan 0.000 0.451 459 R N -0.857 119.549 120.500 -0.156 0.000 2.062 459 R HA 0.077 4.418 4.340 0.002 0.000 0.229 459 R C 1.931 178.132 176.300 -0.165 0.000 1.128 459 R CA 1.328 57.198 56.100 -0.383 0.000 0.960 459 R CB -0.371 29.785 30.300 -0.241 0.000 0.855 459 R HN 0.528 nan 8.270 nan 0.000 0.432 460 I N 0.971 121.496 120.570 -0.074 0.000 2.163 460 I HA -0.333 3.838 4.170 0.002 0.000 0.243 460 I C 2.148 178.230 176.117 -0.058 0.000 1.085 460 I CA 1.318 62.596 61.300 -0.037 0.000 1.347 460 I CB -0.290 37.718 38.000 0.012 0.000 1.044 460 I HN 0.279 nan 8.210 nan 0.000 0.408 461 N N 0.028 118.705 118.700 -0.037 0.000 2.244 461 N HA -0.200 4.542 4.740 0.002 0.000 0.183 461 N C 1.921 177.396 175.510 -0.057 0.000 1.016 461 N CA 1.039 54.059 53.050 -0.050 0.000 0.866 461 N CB -0.055 38.428 38.487 -0.007 0.000 0.980 461 N HN 0.232 nan 8.380 nan 0.000 0.430 462 F N 1.823 121.640 119.950 -0.222 0.000 2.069 462 F HA -0.070 4.458 4.527 0.002 0.000 0.298 462 F C 2.308 177.938 175.800 -0.283 0.000 1.113 462 F CA 1.763 59.611 58.000 -0.252 0.000 1.214 462 F CB -1.036 37.701 39.000 -0.439 0.000 0.978 462 F HN -0.060 nan 8.300 nan 0.000 0.474 463 G N 1.196 109.738 108.800 -0.429 0.000 2.513 463 G HA2 -0.292 3.669 3.960 0.002 0.000 0.219 463 G HA3 -0.292 3.669 3.960 0.002 0.000 0.219 463 G C 1.889 176.489 174.900 -0.501 0.000 1.160 463 G CA 1.477 46.264 45.100 -0.520 0.000 0.767 463 G HN 0.512 nan 8.290 nan 0.000 0.571 464 I N 0.123 120.459 120.570 -0.390 0.000 2.151 464 I HA -0.176 3.995 4.170 0.002 0.000 0.243 464 I C 2.777 178.677 176.117 -0.363 0.000 1.080 464 I CA 1.289 62.344 61.300 -0.407 0.000 1.339 464 I CB -0.343 37.420 38.000 -0.394 0.000 1.039 464 I HN 0.156 nan 8.210 nan 0.000 0.409 465 E N 1.410 121.411 120.200 -0.331 0.000 2.017 465 E HA -0.211 4.140 4.350 0.002 0.000 0.193 465 E C 2.198 178.570 176.600 -0.380 0.000 0.997 465 E CA 1.318 57.554 56.400 -0.273 0.000 0.804 465 E CB -0.074 29.529 29.700 -0.161 0.000 0.757 465 E HN 0.322 nan 8.360 nan 0.000 0.448 466 K N 0.439 120.439 120.400 -0.668 0.000 2.074 466 K HA -0.162 4.159 4.320 0.002 0.000 0.209 466 K C 2.074 178.263 176.600 -0.685 0.000 1.048 466 K CA 1.199 56.937 56.287 -0.915 0.000 0.926 466 K CB -0.710 30.668 32.500 -1.871 0.000 0.713 466 K HN 0.144 nan 8.250 nan 0.000 0.444 467 A N 1.922 124.397 122.820 -0.576 0.000 1.865 467 A HA -0.204 4.117 4.320 0.002 0.000 0.217 467 A C 2.141 179.610 177.584 -0.191 0.000 1.191 467 A CA 1.859 53.678 52.037 -0.362 0.000 0.623 467 A CB -0.422 18.380 19.000 -0.329 0.000 0.826 467 A HN 0.312 nan 8.150 nan 0.000 0.444 468 K N -0.386 119.895 120.400 -0.198 0.000 2.152 468 K HA -0.170 4.151 4.320 0.002 0.000 0.206 468 K C 1.958 178.534 176.600 -0.040 0.000 1.048 468 K CA 1.517 57.736 56.287 -0.114 0.000 0.933 468 K CB -0.163 32.263 32.500 -0.124 0.000 0.721 468 K HN 0.621 nan 8.250 nan 0.000 0.447 469 E N -0.084 120.099 120.200 -0.028 0.000 2.047 469 E HA -0.129 4.222 4.350 0.002 0.000 0.191 469 E C 1.537 178.273 176.600 0.227 0.000 0.987 469 E CA 0.910 57.362 56.400 0.088 0.000 0.799 469 E CB -0.040 29.721 29.700 0.103 0.000 0.752 469 E HN 0.211 nan 8.360 nan 0.000 0.449 470 F N -0.032 119.875 119.950 -0.071 0.000 2.771 470 F HA 0.096 4.625 4.527 0.002 0.000 0.299 470 F C 1.832 177.600 175.800 -0.053 0.000 1.177 470 F CA 0.941 58.923 58.000 -0.030 0.000 1.450 470 F CB -0.130 38.853 39.000 -0.029 0.000 1.114 470 F HN 0.126 nan 8.300 nan 0.000 0.587 471 G N 0.315 109.172 108.800 0.096 0.000 2.212 471 G HA2 -0.368 3.594 3.960 0.002 0.000 0.266 471 G HA3 -0.368 3.594 3.960 0.002 0.000 0.266 471 G C 1.453 176.355 174.900 0.004 0.000 0.978 471 G CA 0.570 45.686 45.100 0.026 0.000 0.632 471 G HN 0.425 nan 8.290 nan 0.000 0.537 472 I N -0.210 120.365 120.570 0.008 0.000 2.315 472 I HA -0.042 4.130 4.170 0.002 0.000 0.251 472 I C 1.242 177.313 176.117 -0.077 0.000 1.125 472 I CA 1.204 62.469 61.300 -0.060 0.000 1.392 472 I CB -0.091 37.825 38.000 -0.139 0.000 1.065 472 I HN 0.176 nan 8.210 nan 0.000 0.424 473 L N 0.631 121.803 121.223 -0.085 0.000 2.343 473 L HA 0.293 4.634 4.340 0.002 0.000 0.278 473 L C 0.038 176.867 176.870 -0.069 0.000 0.996 473 L CA -0.566 54.218 54.840 -0.093 0.000 0.831 473 L CB 1.791 43.755 42.059 -0.159 0.000 1.232 473 L HN -0.096 nan 8.230 nan 0.000 0.413 474 K N 1.745 122.117 120.400 -0.045 0.000 2.332 474 K HA 0.193 4.514 4.320 0.002 0.000 0.246 474 K C 0.755 177.333 176.600 -0.036 0.000 1.066 474 K CA -0.242 56.026 56.287 -0.032 0.000 0.898 474 K CB 0.600 33.090 32.500 -0.017 0.000 1.192 474 K HN 0.312 nan 8.250 nan 0.000 0.509 475 K N 0.240 120.625 120.400 -0.025 0.000 2.008 475 K HA -0.081 4.241 4.320 0.002 0.000 0.226 475 K C 0.976 177.566 176.600 -0.017 0.000 0.994 475 K CA 1.486 57.759 56.287 -0.023 0.000 1.069 475 K CB -0.750 31.742 32.500 -0.013 0.000 0.760 475 K HN 0.648 nan 8.250 nan 0.000 0.465 476 G N 1.629 110.426 108.800 -0.005 0.000 2.865 476 G HA2 0.070 4.031 3.960 0.002 0.000 0.292 476 G HA3 0.070 4.031 3.960 0.002 0.000 0.292 476 G C -0.876 174.032 174.900 0.014 0.000 0.800 476 G CA -0.255 44.849 45.100 0.007 0.000 1.838 476 G HN 0.163 nan 8.290 nan 0.000 0.535 477 D N 0.229 120.642 120.400 0.022 0.000 2.541 477 D HA 0.656 5.297 4.640 0.002 0.000 0.276 477 D C 0.370 176.718 176.300 0.080 0.000 1.190 477 D CA -0.059 53.962 54.000 0.034 0.000 1.095 477 D CB 1.171 41.980 40.800 0.015 0.000 1.173 477 D HN 0.161 nan 8.370 nan 0.000 0.604 478 T N -0.964 113.649 114.554 0.099 0.000 2.903 478 T HA 0.607 4.958 4.350 0.002 0.000 0.299 478 T C -1.411 173.411 174.700 0.204 0.000 1.093 478 T CA -0.544 61.625 62.100 0.115 0.000 1.002 478 T CB 1.155 70.037 68.868 0.024 0.000 1.127 478 T HN 0.355 nan 8.240 nan 0.000 0.488 479 Y N -0.884 119.380 120.300 -0.059 0.000 2.656 479 Y HA 0.775 5.327 4.550 0.002 0.000 0.334 479 Y C -1.960 173.897 175.900 -0.071 0.000 1.179 479 Y CA -1.389 56.669 58.100 -0.070 0.000 1.050 479 Y CB 0.375 38.791 38.460 -0.074 0.000 1.308 479 Y HN 0.393 nan 8.280 nan 0.000 0.456 480 V N 1.725 121.609 119.914 -0.050 0.000 2.604 480 V HA 0.731 4.852 4.120 0.002 0.000 0.305 480 V C -0.550 175.525 176.094 -0.032 0.000 1.043 480 V CA -0.745 61.472 62.300 -0.139 0.000 0.888 480 V CB 1.620 33.377 31.823 -0.110 0.000 0.995 480 V HN 0.860 nan 8.190 nan 0.000 0.429 481 S N 4.539 120.191 115.700 -0.079 0.000 2.501 481 S HA 0.768 5.240 4.470 0.002 0.000 0.301 481 S C -0.550 174.032 174.600 -0.029 0.000 1.096 481 S CA -0.526 57.670 58.200 -0.006 0.000 1.063 481 S CB 1.537 64.737 63.200 -0.001 0.000 1.042 481 S HN 0.555 nan 8.310 nan 0.000 0.494 482 I N 3.038 123.605 120.570 -0.004 0.000 2.418 482 I HA 0.437 4.608 4.170 0.002 0.000 0.287 482 I C -0.327 175.794 176.117 0.007 0.000 1.008 482 I CA -0.525 60.772 61.300 -0.004 0.000 1.104 482 I CB 1.498 39.505 38.000 0.011 0.000 1.264 482 I HN 0.700 nan 8.210 nan 0.000 0.438 483 Q N 4.639 124.432 119.800 -0.011 0.000 2.565 483 Q HA 0.809 5.151 4.340 0.002 0.000 0.294 483 Q C -0.991 174.995 176.000 -0.024 0.000 1.005 483 Q CA -1.083 54.712 55.803 -0.014 0.000 0.771 483 Q CB 2.356 31.061 28.738 -0.056 0.000 1.486 483 Q HN 0.583 nan 8.270 nan 0.000 0.422 484 G N -0.231 108.549 108.800 -0.034 0.000 2.820 484 G HA2 0.735 4.696 3.960 0.002 0.000 0.291 484 G HA3 0.735 4.696 3.960 0.002 0.000 0.291 484 G C -1.335 173.521 174.900 -0.073 0.000 1.323 484 G CA -0.774 44.308 45.100 -0.030 0.000 1.055 484 G HN 0.593 nan 8.290 nan 0.000 0.520 485 F N -0.403 119.364 119.950 -0.306 0.000 2.881 485 F HA 0.214 4.742 4.527 0.002 0.000 0.452 485 F C -0.125 175.557 175.800 -0.196 0.000 0.959 485 F CA -0.698 57.067 58.000 -0.392 0.000 1.102 485 F CB -0.218 38.572 39.000 -0.350 0.000 2.636 485 F HN 0.198 nan 8.300 nan 0.000 0.435 486 K N 1.661 121.947 120.400 -0.190 0.000 2.201 486 K HA 0.703 5.024 4.320 0.002 0.000 0.278 486 K C 0.519 177.014 176.600 -0.174 0.000 1.027 486 K CA -0.130 56.078 56.287 -0.132 0.000 0.909 486 K CB 1.529 34.018 32.500 -0.018 0.000 1.062 486 K HN 0.306 nan 8.250 nan 0.000 0.465 487 A N 3.007 125.726 122.820 -0.168 0.000 2.453 487 A HA 0.046 4.367 4.320 0.002 0.000 0.293 487 A C 1.363 178.905 177.584 -0.070 0.000 1.022 487 A CA 1.346 53.301 52.037 -0.136 0.000 1.078 487 A CB -1.617 17.336 19.000 -0.078 0.000 0.846 487 A HN 1.059 nan 8.150 nan 0.000 0.473 488 G N 2.330 111.093 108.800 -0.062 0.000 5.356 488 G HA2 -0.029 3.932 3.960 0.002 0.000 0.309 488 G HA3 -0.029 3.932 3.960 0.002 0.000 0.309 488 G C 1.272 176.214 174.900 0.070 0.000 1.451 488 G CA 0.943 46.052 45.100 0.015 0.000 0.978 488 G HN 2.336 nan 8.290 nan 0.000 0.771 489 A N 2.590 125.448 122.820 0.064 0.000 2.478 489 A HA 0.559 4.880 4.320 0.002 0.000 0.239 489 A C 1.494 179.162 177.584 0.140 0.000 1.480 489 A CA 1.457 53.564 52.037 0.116 0.000 1.308 489 A CB -1.226 17.848 19.000 0.122 0.000 0.899 489 A HN 2.133 nan 8.150 nan 0.000 0.600 490 G N -0.707 108.165 108.800 0.119 0.000 2.287 490 G HA2 0.232 4.194 3.960 0.002 0.000 0.235 490 G HA3 0.232 4.194 3.960 0.002 0.000 0.235 490 G C -0.166 174.762 174.900 0.047 0.000 1.258 490 G CA 0.249 45.387 45.100 0.063 0.000 0.884 490 G HN 0.755 nan 8.290 nan 0.000 0.518 491 H N 0.127 119.254 119.070 0.095 0.000 2.922 491 H HA 0.285 4.842 4.556 0.002 0.000 0.219 491 H C -0.163 175.205 175.328 0.067 0.000 1.356 491 H CA 0.105 56.215 56.048 0.103 0.000 1.424 491 H CB 0.117 29.931 29.762 0.087 0.000 2.045 491 H HN 0.912 nan 8.280 nan 0.000 0.595 492 S N 1.986 117.774 115.700 0.146 0.000 3.177 492 S HA -0.235 4.236 4.470 0.002 0.000 0.853 492 S C 0.603 175.243 174.600 0.067 0.000 1.035 492 S CA 0.766 59.022 58.200 0.094 0.000 1.238 492 S CB -0.678 62.588 63.200 0.110 0.000 0.919 492 S HN 1.071 nan 8.310 nan 0.000 0.291 493 N N -1.885 116.836 118.700 0.034 0.000 1.850 493 N HA 0.029 4.770 4.740 0.002 0.000 0.225 493 N C -0.709 174.802 175.510 0.001 0.000 1.455 493 N CA 0.412 53.474 53.050 0.021 0.000 0.689 493 N CB 0.141 38.645 38.487 0.027 0.000 1.034 493 N HN 0.638 nan 8.380 nan 0.000 0.581 494 T N 1.596 116.144 114.554 -0.011 0.000 2.888 494 T HA 0.689 5.040 4.350 0.002 0.000 0.284 494 T C -0.643 174.030 174.700 -0.047 0.000 1.017 494 T CA -0.471 61.608 62.100 -0.036 0.000 1.022 494 T CB 2.390 71.221 68.868 -0.062 0.000 1.013 494 T HN 0.164 nan 8.240 nan 0.000 0.465 495 L N 2.136 123.322 121.223 -0.061 0.000 2.381 495 L HA 0.635 4.976 4.340 0.002 0.000 0.268 495 L C -0.923 175.889 176.870 -0.098 0.000 0.997 495 L CA -0.571 54.225 54.840 -0.074 0.000 0.818 495 L CB 2.305 44.320 42.059 -0.073 0.000 1.310 495 L HN 0.615 nan 8.230 nan 0.000 0.416 496 Q N 2.750 122.477 119.800 -0.121 0.000 2.337 496 Q HA 0.468 4.809 4.340 0.002 0.000 0.260 496 Q C -1.777 174.077 176.000 -0.243 0.000 0.982 496 Q CA -0.485 55.219 55.803 -0.164 0.000 0.734 496 Q CB 1.828 30.472 28.738 -0.158 0.000 1.272 496 Q HN 0.450 nan 8.270 nan 0.000 0.461 497 V N 2.909 122.688 119.914 -0.224 0.000 2.372 497 V HA 0.489 4.610 4.120 0.002 0.000 0.261 497 V C 0.012 175.905 176.094 -0.335 0.000 1.055 497 V CA -0.088 62.056 62.300 -0.260 0.000 0.930 497 V CB 0.741 32.464 31.823 -0.167 0.000 1.031 497 V HN 0.719 nan 8.190 nan 0.000 0.479 498 S N 2.782 118.127 115.700 -0.592 0.000 2.745 498 S HA 0.716 5.187 4.470 0.002 0.000 0.306 498 S C -0.129 174.233 174.600 -0.397 0.000 1.137 498 S CA -0.485 57.369 58.200 -0.578 0.000 0.900 498 S CB 2.270 65.009 63.200 -0.769 0.000 1.176 498 S HN 0.719 nan 8.310 nan 0.000 0.520 499 T N 1.384 115.904 114.554 -0.056 0.000 2.888 499 T HA 0.602 4.953 4.350 0.002 0.000 0.284 499 T C -0.132 174.778 174.700 0.349 0.000 1.017 499 T CA -0.491 61.694 62.100 0.143 0.000 1.022 499 T CB 1.335 70.235 68.868 0.053 0.000 1.013 499 T HN 0.343 nan 8.240 nan 0.000 0.465 500 V N 0.000 120.056 119.914 0.237 0.000 2.409 500 V HA 0.000 4.121 4.120 0.002 0.000 0.244 500 V CA 0.000 62.336 62.300 0.060 0.000 1.235 500 V CB 0.000 31.783 31.823 -0.067 0.000 1.184 500 V HN 0.000 nan 8.190 nan 0.000 0.556