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 2zci_1_C DATA FIRST_RESID 13 DATA SEQUENCE APTKNKELLN WIADAVELFQ PEAVVFVDGS QAEWDRMAED LVEAGTLIKL DATA SEQUENCE NEEKRPNSYL ARSNPSDVAR VESRTFICSE KEEDAGPTNN WAPPQAMKDE DATA SEQUENCE MSKHYAGSMK GRTMYVVPFC MGPISDPDPK LGVQLTDSEY VVMSMRIMTR DATA SEQUENCE MGIEALDKIG ANGSFVRCLH SVGAPLEPGQ EDVAWPCNDT KYITQFPETK DATA SEQUENCE EIWSYGSGYG GNAILAKKCY ALRIASVMAR EEGWMAEHML ILKLINPEGK DATA SEQUENCE AYHIAAAFPS ACGKTNLAMI TPTIPGWTAQ VVGDDIAWLK LREDGLYAVN DATA SEQUENCE PENGFFGVAP GTNYASNPIA MKTMEPGNTL FTNVALTDDG DIWWEGMDGD DATA SEQUENCE APAHLIDWMG NDWTPESDEN AAHPNSRYCV AIDQSPAAAP EFNDWEGVKI DATA SEQUENCE DAILFGGRRA DTVPLVTQTY DWEHGTMVGA LLASGQXXXX XXXXVGTLRH DATA SEQUENCE DPMAMLPFIG YNAGEYLQNW IDMGNKGGDK MPSIFLVNWF RRGEDGRFLW DATA SEQUENCE PGFGDNSRVL KWVIDRIEGH VGADETVVGH TAKAEDLDLD GLDTPIEDVK DATA SEQUENCE EALTAPAEQW ANDVEDNAEY LTFLGPRVPA EVHSQFDALK ARIS 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 13 A HA 0.000 nan 4.320 nan 0.000 0.244 13 A C 0.000 177.204 177.584 -0.634 0.000 1.274 13 A CA 0.000 51.326 52.037 -1.186 0.000 0.836 13 A CB 0.000 18.512 19.000 -0.814 0.000 0.831 14 P HA 0.216 nan 4.420 nan 0.000 0.237 14 P C -0.189 177.027 177.300 -0.141 0.000 1.701 14 P CA 0.892 63.869 63.100 -0.205 0.000 0.955 14 P CB -0.192 31.440 31.700 -0.112 0.000 1.937 15 T N 1.126 115.590 114.554 -0.150 0.000 2.956 15 T HA 0.320 4.663 4.350 -0.011 0.000 0.312 15 T C 0.355 175.036 174.700 -0.032 0.000 1.151 15 T CA -0.693 61.375 62.100 -0.053 0.000 1.024 15 T CB 1.162 70.042 68.868 0.021 0.000 1.140 15 T HN 0.045 nan 8.240 nan 0.000 0.473 16 K N 2.772 123.168 120.400 -0.007 0.000 2.437 16 K HA 0.161 4.474 4.320 -0.011 0.000 0.205 16 K C 0.162 176.782 176.600 0.034 0.000 1.026 16 K CA -0.293 55.998 56.287 0.007 0.000 1.153 16 K CB -0.732 31.769 32.500 0.001 0.000 0.863 16 K HN 0.513 nan 8.250 nan 0.000 0.502 17 N N 1.982 120.713 118.700 0.051 0.000 2.415 17 N HA 0.019 4.752 4.740 -0.011 0.000 0.246 17 N C 0.907 176.487 175.510 0.118 0.000 1.078 17 N CA -0.182 52.918 53.050 0.084 0.000 0.942 17 N CB 0.897 39.434 38.487 0.085 0.000 1.140 17 N HN 0.140 nan 8.380 nan 0.000 0.501 18 K N 3.044 123.508 120.400 0.107 0.000 2.063 18 K HA -0.213 4.101 4.320 -0.011 0.000 0.208 18 K C 1.124 177.819 176.600 0.159 0.000 1.048 18 K CA 1.642 57.996 56.287 0.112 0.000 0.928 18 K CB 0.161 32.709 32.500 0.080 0.000 0.713 18 K HN 0.613 nan 8.250 nan 0.000 0.442 19 E N 0.614 120.927 120.200 0.188 0.000 2.051 19 E HA -0.191 4.153 4.350 -0.011 0.000 0.192 19 E C 2.018 178.848 176.600 0.383 0.000 0.991 19 E CA 1.359 57.900 56.400 0.235 0.000 0.799 19 E CB -0.137 29.693 29.700 0.217 0.000 0.748 19 E HN 0.307 nan 8.360 nan 0.000 0.449 20 L N 0.459 121.935 121.223 0.422 0.000 2.012 20 L HA -0.229 4.104 4.340 -0.011 0.000 0.210 20 L C 2.077 179.214 176.870 0.446 0.000 1.073 20 L CA 1.259 56.375 54.840 0.460 0.000 0.748 20 L CB -0.013 42.137 42.059 0.151 0.000 0.891 20 L HN 0.178 nan 8.230 nan 0.000 0.431 21 L N -0.730 120.675 121.223 0.302 0.000 2.179 21 L HA -0.111 4.222 4.340 -0.011 0.000 0.208 21 L C 2.049 179.045 176.870 0.210 0.000 1.096 21 L CA 1.304 56.290 54.840 0.243 0.000 0.779 21 L CB -0.502 41.663 42.059 0.176 0.000 0.922 21 L HN 0.313 nan 8.230 nan 0.000 0.443 22 N N -1.059 117.775 118.700 0.223 0.000 2.142 22 N HA -0.230 4.503 4.740 -0.011 0.000 0.186 22 N C 1.529 177.169 175.510 0.218 0.000 1.023 22 N CA 1.135 54.294 53.050 0.181 0.000 0.852 22 N CB -0.303 38.282 38.487 0.163 0.000 0.998 22 N HN 0.309 nan 8.380 nan 0.000 0.424 23 W N 2.573 123.939 121.300 0.110 0.000 2.315 23 W HA -0.109 4.544 4.660 -0.011 0.000 0.323 23 W C 1.687 178.258 176.519 0.086 0.000 1.233 23 W CA 1.327 58.739 57.345 0.112 0.000 1.267 23 W CB -0.618 28.952 29.460 0.182 0.000 1.160 23 W HN -0.064 nan 8.180 nan 0.000 0.474 24 I N 1.072 121.581 120.570 -0.102 0.000 2.185 24 I HA -0.410 3.754 4.170 -0.011 0.000 0.246 24 I C 2.537 178.561 176.117 -0.155 0.000 1.088 24 I CA 1.826 62.961 61.300 -0.275 0.000 1.347 24 I CB -1.433 36.510 38.000 -0.096 0.000 1.041 24 I HN 0.198 nan 8.210 nan 0.000 0.415 25 A N 0.753 123.557 122.820 -0.026 0.000 1.873 25 A HA -0.210 4.103 4.320 -0.011 0.000 0.215 25 A C 1.993 179.550 177.584 -0.045 0.000 1.186 25 A CA 1.963 53.993 52.037 -0.012 0.000 0.616 25 A CB -0.569 18.454 19.000 0.037 0.000 0.823 25 A HN 0.433 nan 8.150 nan 0.000 0.442 26 D N 0.382 120.754 120.400 -0.046 0.000 2.144 26 D HA -0.055 4.578 4.640 -0.011 0.000 0.200 26 D C 2.180 178.393 176.300 -0.143 0.000 0.978 26 D CA 1.321 55.280 54.000 -0.067 0.000 0.833 26 D CB -0.388 40.395 40.800 -0.029 0.000 0.961 26 D HN 0.451 nan 8.370 nan 0.000 0.470 27 A N 1.266 123.955 122.820 -0.218 0.000 1.908 27 A HA -0.148 4.166 4.320 -0.011 0.000 0.218 27 A C 2.445 180.009 177.584 -0.035 0.000 1.181 27 A CA 1.500 53.419 52.037 -0.197 0.000 0.627 27 A CB -0.913 17.909 19.000 -0.298 0.000 0.818 27 A HN 0.203 nan 8.150 nan 0.000 0.445 28 V N 0.260 120.133 119.914 -0.069 0.000 2.427 28 V HA -0.233 3.880 4.120 -0.011 0.000 0.248 28 V C 2.292 178.367 176.094 -0.031 0.000 1.051 28 V CA 2.795 65.074 62.300 -0.035 0.000 1.048 28 V CB -0.434 31.354 31.823 -0.058 0.000 0.666 28 V HN 0.798 nan 8.190 nan 0.000 0.456 29 E N -0.492 119.673 120.200 -0.058 0.000 2.110 29 E HA -0.240 4.103 4.350 -0.011 0.000 0.193 29 E C 2.095 178.647 176.600 -0.080 0.000 0.988 29 E CA 1.835 58.201 56.400 -0.057 0.000 0.804 29 E CB -0.189 29.479 29.700 -0.053 0.000 0.745 29 E HN 0.627 nan 8.360 nan 0.000 0.458 30 L N -0.298 120.837 121.223 -0.147 0.000 2.049 30 L HA 0.045 4.378 4.340 -0.011 0.000 0.203 30 L C 1.999 178.740 176.870 -0.215 0.000 1.074 30 L CA 1.601 56.298 54.840 -0.238 0.000 0.749 30 L CB -0.620 41.170 42.059 -0.448 0.000 0.907 30 L HN 0.148 nan 8.230 nan 0.000 0.439 31 F N -0.187 119.679 119.950 -0.139 0.000 2.206 31 F HA -0.065 4.455 4.527 -0.011 0.000 0.298 31 F C 1.196 176.940 175.800 -0.093 0.000 1.090 31 F CA 0.899 58.820 58.000 -0.130 0.000 1.323 31 F CB -0.106 38.763 39.000 -0.217 0.000 1.028 31 F HN 0.192 nan 8.300 nan 0.000 0.492 32 Q N -0.343 119.513 119.800 0.093 0.000 2.470 32 Q HA -0.177 4.156 4.340 -0.011 0.000 0.294 32 Q C -2.437 173.566 176.000 0.005 0.000 1.356 32 Q CA -0.374 55.446 55.803 0.029 0.000 0.805 32 Q CB -1.656 27.092 28.738 0.017 0.000 1.157 32 Q HN 0.212 nan 8.270 nan 0.000 0.431 33 P HA -0.027 nan 4.420 nan 0.000 0.274 33 P C 0.471 177.727 177.300 -0.074 0.000 1.256 33 P CA 0.011 63.062 63.100 -0.082 0.000 0.795 33 P CB 0.673 32.280 31.700 -0.155 0.000 1.038 34 E N -0.337 119.813 120.200 -0.084 0.000 2.112 34 E HA 0.075 4.418 4.350 -0.011 0.000 0.190 34 E C 0.665 177.220 176.600 -0.074 0.000 0.979 34 E CA 0.982 57.343 56.400 -0.065 0.000 0.814 34 E CB -0.011 29.655 29.700 -0.058 0.000 0.762 34 E HN 0.564 nan 8.360 nan 0.000 0.460 35 A N 0.317 123.070 122.820 -0.111 0.000 2.587 35 A HA 0.535 4.849 4.320 -0.011 0.000 0.293 35 A C -1.046 176.441 177.584 -0.163 0.000 1.087 35 A CA -0.590 51.382 52.037 -0.109 0.000 0.692 35 A CB 1.932 20.875 19.000 -0.095 0.000 1.291 35 A HN -0.018 nan 8.150 nan 0.000 0.407 36 V N 0.563 120.406 119.914 -0.118 0.000 2.513 36 V HA 0.864 4.978 4.120 -0.011 0.000 0.299 36 V C -1.257 174.802 176.094 -0.058 0.000 1.035 36 V CA -0.433 61.782 62.300 -0.141 0.000 0.889 36 V CB 1.435 33.184 31.823 -0.123 0.000 0.988 36 V HN 0.974 nan 8.190 nan 0.000 0.440 37 V N 6.618 126.473 119.914 -0.098 0.000 2.524 37 V HA 0.457 4.570 4.120 -0.011 0.000 0.297 37 V C -0.607 175.568 176.094 0.135 0.000 1.035 37 V CA -0.435 61.908 62.300 0.072 0.000 0.867 37 V CB 1.403 33.268 31.823 0.069 0.000 1.004 37 V HN 0.832 nan 8.190 nan 0.000 0.426 38 F N 4.292 124.262 119.950 0.033 0.000 2.504 38 F HA 0.341 4.862 4.527 -0.011 0.000 0.369 38 F C 0.688 176.534 175.800 0.077 0.000 1.082 38 F CA -0.090 57.940 58.000 0.050 0.000 1.216 38 F CB 1.182 40.198 39.000 0.026 0.000 1.108 38 F HN 0.432 nan 8.300 nan 0.000 0.554 39 V N 1.033 121.063 119.914 0.192 0.000 2.546 39 V HA 0.346 4.459 4.120 -0.011 0.000 0.284 39 V C 0.276 176.451 176.094 0.135 0.000 1.050 39 V CA -0.534 61.854 62.300 0.146 0.000 0.981 39 V CB 1.496 33.368 31.823 0.083 0.000 0.990 39 V HN 0.794 nan 8.190 nan 0.000 0.474 40 D N 1.958 122.421 120.400 0.106 0.000 2.392 40 D HA 0.289 4.923 4.640 -0.011 0.000 0.206 40 D C 1.424 177.762 176.300 0.064 0.000 1.046 40 D CA 0.737 54.788 54.000 0.085 0.000 0.865 40 D CB 0.232 41.074 40.800 0.071 0.000 0.969 40 D HN 1.540 nan 8.370 nan 0.000 0.509 41 G N 0.393 109.230 108.800 0.062 0.000 2.157 41 G HA2 -0.287 3.666 3.960 -0.011 0.000 0.248 41 G HA3 -0.287 3.666 3.960 -0.011 0.000 0.248 41 G C 0.402 175.328 174.900 0.043 0.000 0.979 41 G CA 0.387 45.517 45.100 0.049 0.000 0.650 41 G HN 0.869 nan 8.290 nan 0.000 0.529 42 S N -0.441 115.291 115.700 0.053 0.000 2.572 42 S HA 0.457 4.920 4.470 -0.011 0.000 0.279 42 S C 1.277 175.923 174.600 0.078 0.000 1.341 42 S CA 0.740 58.970 58.200 0.050 0.000 1.043 42 S CB 1.841 65.072 63.200 0.051 0.000 0.887 42 S HN 0.444 nan 8.310 nan 0.000 0.516 43 Q N 2.426 122.257 119.800 0.053 0.000 2.152 43 Q HA -0.115 4.218 4.340 -0.011 0.000 0.206 43 Q C 2.166 178.258 176.000 0.154 0.000 0.985 43 Q CA 2.441 58.290 55.803 0.077 0.000 0.863 43 Q CB -1.130 27.618 28.738 0.017 0.000 0.904 43 Q HN 0.981 nan 8.270 nan 0.000 0.422 44 A N 0.237 123.120 122.820 0.106 0.000 1.969 44 A HA -0.192 4.121 4.320 -0.011 0.000 0.218 44 A C 2.001 179.648 177.584 0.105 0.000 1.169 44 A CA 1.600 53.697 52.037 0.101 0.000 0.635 44 A CB -0.682 18.359 19.000 0.069 0.000 0.810 44 A HN 0.634 nan 8.150 nan 0.000 0.445 45 E N -1.023 119.241 120.200 0.106 0.000 2.107 45 E HA -0.197 4.146 4.350 -0.011 0.000 0.191 45 E C 1.879 178.537 176.600 0.096 0.000 0.982 45 E CA 1.067 57.517 56.400 0.083 0.000 0.809 45 E CB -0.366 29.378 29.700 0.074 0.000 0.756 45 E HN 0.813 nan 8.360 nan 0.000 0.459 46 W N 2.146 123.422 121.300 -0.041 0.000 2.381 46 W HA -0.165 4.489 4.660 -0.011 0.000 0.301 46 W C 1.014 177.502 176.519 -0.052 0.000 1.205 46 W CA 1.640 58.949 57.345 -0.060 0.000 1.285 46 W CB -0.276 29.162 29.460 -0.037 0.000 1.133 46 W HN 0.105 nan 8.180 nan 0.000 0.521 47 D N 0.098 120.621 120.400 0.204 0.000 2.117 47 D HA -0.186 4.448 4.640 -0.011 0.000 0.198 47 D C 2.261 178.548 176.300 -0.022 0.000 0.982 47 D CA 1.394 55.463 54.000 0.115 0.000 0.828 47 D CB -0.506 40.398 40.800 0.175 0.000 0.967 47 D HN 0.196 nan 8.370 nan 0.000 0.464 48 R N -0.030 120.466 120.500 -0.008 0.000 2.096 48 R HA -0.052 4.281 4.340 -0.011 0.000 0.235 48 R C 2.265 178.503 176.300 -0.104 0.000 1.127 48 R CA 0.951 57.034 56.100 -0.028 0.000 0.968 48 R CB -0.079 30.222 30.300 0.002 0.000 0.861 48 R HN 0.186 nan 8.270 nan 0.000 0.440 49 M N -0.631 118.854 119.600 -0.190 0.000 2.193 49 M HA -0.025 4.448 4.480 -0.011 0.000 0.265 49 M C 2.437 178.503 176.300 -0.389 0.000 1.071 49 M CA 1.369 56.498 55.300 -0.285 0.000 1.140 49 M CB -0.144 32.245 32.600 -0.351 0.000 1.369 49 M HN 0.221 nan 8.290 nan 0.000 0.423 50 A N 0.409 122.879 122.820 -0.585 0.000 1.915 50 A HA -0.277 4.037 4.320 -0.011 0.000 0.220 50 A C 1.961 179.360 177.584 -0.309 0.000 1.198 50 A CA 2.486 54.114 52.037 -0.682 0.000 0.647 50 A CB -0.770 17.769 19.000 -0.768 0.000 0.825 50 A HN 0.480 nan 8.150 nan 0.000 0.456 51 E N -0.117 119.990 120.200 -0.156 0.000 2.158 51 E HA -0.092 4.251 4.350 -0.011 0.000 0.191 51 E C 1.395 177.965 176.600 -0.051 0.000 0.982 51 E CA 1.179 57.550 56.400 -0.048 0.000 0.823 51 E CB -0.227 29.473 29.700 -0.001 0.000 0.766 51 E HN 0.545 nan 8.360 nan 0.000 0.468 52 D N 0.105 120.457 120.400 -0.080 0.000 2.084 52 D HA -0.127 4.506 4.640 -0.011 0.000 0.194 52 D C 1.915 178.180 176.300 -0.058 0.000 0.990 52 D CA 1.022 54.989 54.000 -0.055 0.000 0.826 52 D CB -0.135 40.630 40.800 -0.058 0.000 0.971 52 D HN 0.266 nan 8.370 nan 0.000 0.453 53 L N 0.418 121.577 121.223 -0.106 0.000 2.201 53 L HA -0.081 4.252 4.340 -0.011 0.000 0.212 53 L C 2.470 179.321 176.870 -0.032 0.000 1.105 53 L CA 0.320 55.110 54.840 -0.083 0.000 0.775 53 L CB -0.214 41.767 42.059 -0.130 0.000 0.913 53 L HN -0.065 nan 8.230 nan 0.000 0.440 54 V N -0.291 119.608 119.914 -0.026 0.000 2.427 54 V HA -0.184 3.929 4.120 -0.011 0.000 0.248 54 V C 2.438 178.559 176.094 0.044 0.000 1.051 54 V CA 1.416 63.746 62.300 0.050 0.000 1.048 54 V CB -0.309 31.575 31.823 0.102 0.000 0.666 54 V HN 0.409 nan 8.190 nan 0.000 0.456 55 E N 0.373 120.586 120.200 0.022 0.000 2.208 55 E HA -0.067 4.276 4.350 -0.011 0.000 0.193 55 E C 2.213 178.826 176.600 0.022 0.000 0.988 55 E CA 1.225 57.639 56.400 0.024 0.000 0.828 55 E CB -0.373 29.337 29.700 0.017 0.000 0.763 55 E HN 0.578 nan 8.360 nan 0.000 0.478 56 A N -0.032 122.797 122.820 0.015 0.000 2.119 56 A HA 0.209 4.522 4.320 -0.011 0.000 0.216 56 A C 1.918 179.523 177.584 0.034 0.000 1.152 56 A CA 1.554 53.601 52.037 0.017 0.000 0.708 56 A CB -0.180 18.820 19.000 0.001 0.000 0.805 56 A HN 0.319 nan 8.150 nan 0.000 0.460 57 G N -2.341 106.488 108.800 0.048 0.000 2.258 57 G HA2 -0.327 3.627 3.960 -0.011 0.000 0.233 57 G HA3 -0.327 3.627 3.960 -0.011 0.000 0.233 57 G C 1.212 176.167 174.900 0.091 0.000 1.006 57 G CA 1.028 46.169 45.100 0.067 0.000 0.620 57 G HN 0.493 nan 8.290 nan 0.000 0.511 58 T N 0.936 115.538 114.554 0.080 0.000 2.684 58 T HA 0.163 4.506 4.350 -0.011 0.000 0.267 58 T C 1.225 176.012 174.700 0.146 0.000 1.036 58 T CA 1.306 63.471 62.100 0.107 0.000 1.148 58 T CB 0.022 68.911 68.868 0.035 0.000 0.863 58 T HN 0.380 nan 8.240 nan 0.000 0.436 59 L N 0.408 121.705 121.223 0.123 0.000 2.334 59 L HA 0.593 4.927 4.340 -0.011 0.000 0.273 59 L C -0.956 176.044 176.870 0.217 0.000 1.013 59 L CA -1.050 53.904 54.840 0.191 0.000 0.816 59 L CB 1.968 44.098 42.059 0.117 0.000 1.278 59 L HN 0.077 nan 8.230 nan 0.000 0.431 60 I N 2.465 123.195 120.570 0.266 0.000 2.389 60 I HA 0.234 4.397 4.170 -0.011 0.000 0.288 60 I C 0.027 176.300 176.117 0.259 0.000 0.999 60 I CA -0.206 61.225 61.300 0.218 0.000 1.129 60 I CB 1.633 39.731 38.000 0.163 0.000 1.288 60 I HN 0.415 nan 8.210 nan 0.000 0.444 61 K N 6.016 126.545 120.400 0.215 0.000 2.322 61 K HA 0.367 4.680 4.320 -0.011 0.000 0.283 61 K C -0.749 175.842 176.600 -0.015 0.000 1.042 61 K CA -0.567 55.744 56.287 0.041 0.000 0.958 61 K CB 0.671 33.209 32.500 0.063 0.000 0.984 61 K HN 0.345 nan 8.250 nan 0.000 0.473 62 L N 3.194 124.363 121.223 -0.090 0.000 2.456 62 L HA 0.160 4.493 4.340 -0.011 0.000 0.257 62 L C 0.444 177.302 176.870 -0.020 0.000 1.162 62 L CA -0.112 54.718 54.840 -0.016 0.000 0.808 62 L CB 0.529 42.602 42.059 0.022 0.000 1.136 62 L HN 0.730 nan 8.230 nan 0.000 0.466 63 N N 1.362 120.064 118.700 0.002 0.000 2.411 63 N HA -0.098 4.635 4.740 -0.011 0.000 0.261 63 N C 0.822 176.335 175.510 0.005 0.000 1.248 63 N CA 0.510 53.564 53.050 0.006 0.000 0.885 63 N CB 0.547 39.040 38.487 0.009 0.000 1.062 63 N HN 0.465 nan 8.380 nan 0.000 0.471 64 E N 2.188 122.392 120.200 0.006 0.000 2.208 64 E HA -0.143 4.200 4.350 -0.011 0.000 0.193 64 E C 0.755 177.366 176.600 0.018 0.000 0.988 64 E CA 0.768 57.174 56.400 0.010 0.000 0.828 64 E CB 0.258 29.967 29.700 0.015 0.000 0.763 64 E HN 0.810 nan 8.360 nan 0.000 0.478 65 E N 0.029 120.239 120.200 0.017 0.000 2.479 65 E HA -0.029 4.315 4.350 -0.011 0.000 0.193 65 E C 1.388 177.999 176.600 0.018 0.000 1.049 65 E CA 0.144 56.554 56.400 0.017 0.000 0.870 65 E CB 0.225 29.934 29.700 0.014 0.000 0.944 65 E HN -0.061 nan 8.360 nan 0.000 0.492 66 K N 0.919 121.330 120.400 0.018 0.000 2.099 66 K HA 0.127 4.441 4.320 -0.011 0.000 0.203 66 K C 0.582 177.205 176.600 0.038 0.000 1.047 66 K CA 0.549 56.848 56.287 0.020 0.000 0.963 66 K CB 0.327 32.834 32.500 0.011 0.000 0.759 66 K HN -0.048 nan 8.250 nan 0.000 0.451 67 R N 0.371 120.898 120.500 0.046 0.000 3.107 67 R HA 0.210 4.544 4.340 -0.011 0.000 0.251 67 R C -2.845 173.487 176.300 0.053 0.000 1.818 67 R CA -1.359 54.787 56.100 0.077 0.000 1.228 67 R CB 1.470 31.838 30.300 0.115 0.000 1.459 67 R HN -0.058 nan 8.270 nan 0.000 0.520 68 P HA 0.057 nan 4.420 nan 0.000 0.269 68 P C -0.469 176.856 177.300 0.041 0.000 1.215 68 P CA -0.063 63.059 63.100 0.035 0.000 0.780 68 P CB 0.592 32.319 31.700 0.044 0.000 0.898 69 N N -0.068 118.650 118.700 0.030 0.000 2.714 69 N HA -0.183 4.550 4.740 -0.011 0.000 0.252 69 N C -1.327 174.252 175.510 0.116 0.000 1.014 69 N CA 0.913 54.039 53.050 0.127 0.000 0.735 69 N CB -1.450 37.169 38.487 0.218 0.000 0.924 69 N HN 0.280 nan 8.380 nan 0.000 0.540 70 S N 0.562 116.092 115.700 -0.284 0.000 2.547 70 S HA 0.701 5.164 4.470 -0.011 0.000 0.281 70 S C -1.402 172.930 174.600 -0.448 0.000 1.118 70 S CA -0.524 57.616 58.200 -0.099 0.000 0.947 70 S CB 1.299 64.599 63.200 0.166 0.000 1.053 70 S HN 0.284 nan 8.310 nan 0.000 0.482 71 Y N 1.090 121.581 120.300 0.319 0.000 2.534 71 Y HA 0.663 5.206 4.550 -0.011 0.000 0.345 71 Y C -0.786 175.339 175.900 0.375 0.000 1.031 71 Y CA -1.059 57.205 58.100 0.274 0.000 1.022 71 Y CB 1.407 39.968 38.460 0.169 0.000 1.292 71 Y HN 0.542 nan 8.280 nan 0.000 0.459 72 L N 2.511 124.014 121.223 0.466 0.000 2.341 72 L HA 0.979 5.312 4.340 -0.011 0.000 0.278 72 L C -0.947 176.122 176.870 0.332 0.000 1.005 72 L CA -0.589 54.493 54.840 0.403 0.000 0.818 72 L CB 1.275 43.511 42.059 0.295 0.000 1.259 72 L HN 0.680 nan 8.230 nan 0.000 0.418 73 A N 5.526 128.538 122.820 0.320 0.000 2.318 73 A HA 0.838 5.151 4.320 -0.011 0.000 0.324 73 A C -0.561 177.119 177.584 0.160 0.000 1.170 73 A CA -0.721 51.473 52.037 0.261 0.000 0.810 73 A CB 0.757 19.951 19.000 0.322 0.000 1.198 73 A HN 0.769 nan 8.150 nan 0.000 0.484 74 R N 1.509 122.077 120.500 0.113 0.000 2.445 74 R HA 0.550 4.883 4.340 -0.011 0.000 0.308 74 R C -0.177 176.006 176.300 -0.196 0.000 0.961 74 R CA -0.315 55.819 56.100 0.057 0.000 0.862 74 R CB 1.932 32.297 30.300 0.109 0.000 1.144 74 R HN 0.858 nan 8.270 nan 0.000 0.447 75 S N 1.791 117.235 115.700 -0.426 0.000 2.651 75 S HA 0.240 4.703 4.470 -0.011 0.000 0.291 75 S C 0.147 174.407 174.600 -0.566 0.000 1.141 75 S CA -0.998 56.424 58.200 -1.297 0.000 1.027 75 S CB 1.357 63.520 63.200 -1.729 0.000 1.043 75 S HN 0.547 nan 8.310 nan 0.000 0.530 76 N N 1.875 120.232 118.700 -0.571 0.000 2.359 76 N HA 0.055 4.788 4.740 -0.011 0.000 0.261 76 N C -1.669 173.824 175.510 -0.028 0.000 1.267 76 N CA -0.912 52.076 53.050 -0.103 0.000 0.864 76 N CB 0.775 39.326 38.487 0.106 0.000 1.063 76 N HN 0.404 nan 8.380 nan 0.000 0.474 77 P HA -0.112 nan 4.420 nan 0.000 0.217 77 P C 0.081 177.456 177.300 0.126 0.000 1.148 77 P CA 1.332 64.582 63.100 0.250 0.000 0.828 77 P CB 0.136 31.918 31.700 0.136 0.000 0.783 78 S N -0.781 114.959 115.700 0.065 0.000 3.315 78 S HA 0.435 4.898 4.470 -0.011 0.000 0.195 78 S C -0.196 174.424 174.600 0.033 0.000 1.394 78 S CA -0.356 57.868 58.200 0.040 0.000 0.983 78 S CB -0.554 62.676 63.200 0.049 0.000 1.370 78 S HN -0.024 nan 8.310 nan 0.000 0.491 79 D N 0.747 121.130 120.400 -0.029 0.000 4.334 79 D HA -0.066 4.568 4.640 -0.011 0.000 0.192 79 D C 0.185 176.360 176.300 -0.207 0.000 1.347 79 D CA 0.280 54.292 54.000 0.021 0.000 1.193 79 D CB -0.389 40.553 40.800 0.237 0.000 1.225 79 D HN 0.380 nan 8.370 nan 0.000 0.897 80 V N -1.859 117.766 119.914 -0.482 0.000 3.477 80 V HA 0.956 5.069 4.120 -0.011 0.000 0.297 80 V C 0.803 175.977 176.094 -1.533 0.000 1.433 80 V CA 0.728 62.360 62.300 -1.113 0.000 1.052 80 V CB 0.205 31.386 31.823 -1.070 0.000 0.895 80 V HN 0.493 nan 8.190 nan 0.000 0.438 81 A N -0.596 121.715 122.820 -0.848 0.000 2.457 81 A HA 0.750 5.063 4.320 -0.011 0.000 0.305 81 A C 0.433 177.974 177.584 -0.071 0.000 1.110 81 A CA -0.087 51.701 52.037 -0.414 0.000 0.616 81 A CB 0.687 19.545 19.000 -0.236 0.000 1.371 81 A HN 0.210 nan 8.150 nan 0.000 0.525 82 R N -1.988 118.541 120.500 0.048 0.000 3.830 82 R HA -0.303 4.031 4.340 -0.011 0.000 0.431 82 R C 0.804 177.139 176.300 0.058 0.000 0.243 82 R CA 4.230 60.361 56.100 0.052 0.000 1.371 82 R CB -2.180 28.126 30.300 0.009 0.000 0.946 82 R HN 2.480 nan 8.270 nan 0.000 0.585 83 V N -2.312 117.617 119.914 0.024 0.000 6.110 83 V HA -0.235 3.878 4.120 -0.011 0.000 0.322 83 V C 0.969 177.068 176.094 0.008 0.000 0.518 83 V CA 2.049 64.364 62.300 0.024 0.000 0.655 83 V CB -1.417 30.436 31.823 0.050 0.000 0.283 83 V HN 0.748 nan 8.190 nan 0.000 0.990 84 E N 1.975 122.162 120.200 -0.022 0.000 2.070 84 E HA -0.281 4.062 4.350 -0.011 0.000 0.197 84 E C 2.164 178.694 176.600 -0.117 0.000 1.004 84 E CA 2.438 58.802 56.400 -0.061 0.000 0.805 84 E CB -0.074 29.585 29.700 -0.068 0.000 0.744 84 E HN 1.405 nan 8.360 nan 0.000 0.451 85 S N -0.187 115.450 115.700 -0.105 0.000 2.469 85 S HA -0.061 4.403 4.470 -0.011 0.000 0.238 85 S C 1.437 175.894 174.600 -0.238 0.000 0.998 85 S CA 0.571 58.683 58.200 -0.147 0.000 0.957 85 S CB -0.011 63.145 63.200 -0.074 0.000 0.764 85 S HN 0.113 nan 8.310 nan 0.000 0.514 86 R N 1.232 121.645 120.500 -0.145 0.000 2.700 86 R HA 0.344 4.677 4.340 -0.011 0.000 0.377 86 R C -0.782 175.560 176.300 0.069 0.000 1.130 86 R CA 0.014 56.110 56.100 -0.007 0.000 1.055 86 R CB 0.286 30.685 30.300 0.166 0.000 1.387 86 R HN 0.261 nan 8.270 nan 0.000 0.580 87 T N 1.230 115.671 114.554 -0.188 0.000 2.809 87 T HA 0.573 4.917 4.350 -0.011 0.000 0.284 87 T C -0.796 173.813 174.700 -0.151 0.000 0.992 87 T CA -0.208 61.899 62.100 0.011 0.000 0.957 87 T CB 0.862 69.750 68.868 0.033 0.000 0.942 87 T HN -0.079 nan 8.240 nan 0.000 0.439 88 F N 2.655 122.593 119.950 -0.021 0.000 2.520 88 F HA 0.546 5.066 4.527 -0.011 0.000 0.322 88 F C 0.140 175.864 175.800 -0.126 0.000 1.103 88 F CA -1.478 56.472 58.000 -0.084 0.000 0.926 88 F CB 1.236 40.131 39.000 -0.175 0.000 1.154 88 F HN 0.287 nan 8.300 nan 0.000 0.453 89 I N 2.878 123.517 120.570 0.115 0.000 2.281 89 I HA 0.106 4.269 4.170 -0.011 0.000 0.293 89 I C -0.357 175.792 176.117 0.053 0.000 1.085 89 I CA -0.102 61.236 61.300 0.062 0.000 1.257 89 I CB 0.550 38.617 38.000 0.111 0.000 1.430 89 I HN 0.604 nan 8.210 nan 0.000 0.489 90 C N 5.760 124.962 119.300 -0.163 0.000 2.560 90 C HA 0.211 4.665 4.460 -0.011 0.000 0.506 90 C C 1.401 176.417 174.990 0.044 0.000 1.116 90 C CA -0.568 58.324 59.018 -0.210 0.000 1.425 90 C CB -1.701 25.760 27.740 -0.464 0.000 1.543 90 C HN 0.819 nan 8.230 nan 0.000 0.586 91 S N 0.728 116.563 115.700 0.225 0.000 2.600 91 S HA 0.184 4.647 4.470 -0.011 0.000 0.265 91 S C 1.080 175.884 174.600 0.340 0.000 1.325 91 S CA -0.275 58.071 58.200 0.244 0.000 1.002 91 S CB 1.144 64.475 63.200 0.219 0.000 0.921 91 S HN 0.600 nan 8.310 nan 0.000 0.554 92 E N 0.959 121.288 120.200 0.216 0.000 2.077 92 E HA -0.045 4.298 4.350 -0.011 0.000 0.193 92 E C 0.051 176.806 176.600 0.258 0.000 0.989 92 E CA 1.119 57.643 56.400 0.207 0.000 0.800 92 E CB -0.081 29.680 29.700 0.102 0.000 0.746 92 E HN 0.588 nan 8.360 nan 0.000 0.452 93 K N 1.767 122.253 120.400 0.143 0.000 2.185 93 K HA 0.091 4.405 4.320 -0.011 0.000 0.269 93 K C 1.022 177.456 176.600 -0.277 0.000 0.987 93 K CA -0.229 56.039 56.287 -0.032 0.000 0.865 93 K CB 2.069 34.536 32.500 -0.055 0.000 1.090 93 K HN -0.016 nan 8.250 nan 0.000 0.450 94 E N 3.840 123.529 120.200 -0.850 0.000 2.147 94 E HA -0.262 4.082 4.350 -0.011 0.000 0.199 94 E C 0.934 177.193 176.600 -0.567 0.000 1.005 94 E CA 1.753 57.343 56.400 -1.351 0.000 0.810 94 E CB 0.348 29.241 29.700 -1.345 0.000 0.736 94 E HN 0.660 nan 8.360 nan 0.000 0.460 95 E N 0.328 120.322 120.200 -0.343 0.000 2.338 95 E HA -0.169 4.174 4.350 -0.011 0.000 0.197 95 E C 1.057 177.593 176.600 -0.106 0.000 1.007 95 E CA 0.939 57.221 56.400 -0.196 0.000 0.849 95 E CB -0.207 29.406 29.700 -0.144 0.000 0.774 95 E HN 0.335 nan 8.360 nan 0.000 0.506 96 D N 1.142 121.501 120.400 -0.068 0.000 2.347 96 D HA 0.089 4.723 4.640 -0.011 0.000 0.213 96 D C 1.694 178.044 176.300 0.083 0.000 0.985 96 D CA 0.923 54.944 54.000 0.035 0.000 0.879 96 D CB 0.293 41.126 40.800 0.055 0.000 0.919 96 D HN 0.310 nan 8.370 nan 0.000 0.526 97 A N 0.749 123.598 122.820 0.048 0.000 1.898 97 A HA 0.378 4.691 4.320 -0.011 0.000 0.214 97 A C 1.439 179.018 177.584 -0.007 0.000 1.183 97 A CA 1.431 53.518 52.037 0.084 0.000 0.622 97 A CB -0.499 18.613 19.000 0.187 0.000 0.824 97 A HN 0.320 nan 8.150 nan 0.000 0.444 98 G N -1.437 107.317 108.800 -0.076 0.000 2.796 98 G HA2 -0.125 3.828 3.960 -0.011 0.000 0.571 98 G HA3 -0.125 3.828 3.960 -0.011 0.000 0.571 98 G C -1.513 173.291 174.900 -0.159 0.000 1.370 98 G CA -0.116 44.903 45.100 -0.135 0.000 0.856 98 G HN 0.279 nan 8.290 nan 0.000 0.538 99 P HA 0.040 nan 4.420 nan 0.000 0.233 99 P C 1.518 178.712 177.300 -0.176 0.000 1.167 99 P CA 2.139 65.046 63.100 -0.322 0.000 0.770 99 P CB -0.068 31.205 31.700 -0.710 0.000 0.837 100 T N -4.902 109.567 114.554 -0.141 0.000 3.086 100 T HA 0.203 4.546 4.350 -0.011 0.000 0.250 100 T C 0.465 175.152 174.700 -0.021 0.000 1.074 100 T CA -0.338 61.754 62.100 -0.013 0.000 0.988 100 T CB -0.687 68.159 68.868 -0.037 0.000 0.988 100 T HN 0.049 nan 8.240 nan 0.000 0.530 101 N N 1.429 120.113 118.700 -0.027 0.000 2.272 101 N HA 0.433 5.166 4.740 -0.011 0.000 0.305 101 N C -1.180 174.343 175.510 0.021 0.000 1.103 101 N CA -1.002 52.044 53.050 -0.006 0.000 0.791 101 N CB 1.134 39.633 38.487 0.021 0.000 1.356 101 N HN 0.027 nan 8.380 nan 0.000 0.486 102 N N 0.609 119.303 118.700 -0.009 0.000 2.503 102 N HA 0.236 4.970 4.740 -0.011 0.000 0.267 102 N C -1.153 174.468 175.510 0.186 0.000 1.214 102 N CA 0.100 53.144 53.050 -0.009 0.000 0.959 102 N CB 0.838 39.159 38.487 -0.277 0.000 1.142 102 N HN 0.535 nan 8.380 nan 0.000 0.455 103 W N 0.123 121.475 121.300 0.087 0.000 3.167 103 W HA 0.657 5.310 4.660 -0.011 0.000 0.324 103 W C -1.632 175.037 176.519 0.251 0.000 1.230 103 W CA -0.454 56.985 57.345 0.157 0.000 1.184 103 W CB 1.119 30.615 29.460 0.061 0.000 1.414 103 W HN 0.634 nan 8.180 nan 0.000 0.551 104 A N 3.978 126.224 122.820 -0.957 0.000 2.601 104 A HA 0.714 5.027 4.320 -0.011 0.000 0.291 104 A C -3.070 173.549 177.584 -1.608 0.000 1.075 104 A CA -1.358 50.065 52.037 -1.024 0.000 0.671 104 A CB 1.274 20.001 19.000 -0.455 0.000 1.277 104 A HN 0.290 nan 8.150 nan 0.000 0.417 105 P HA 0.207 nan 4.420 nan 0.000 0.271 105 P C -1.801 175.247 177.300 -0.421 0.000 1.233 105 P CA -0.895 61.790 63.100 -0.690 0.000 0.764 105 P CB 0.530 32.064 31.700 -0.277 0.000 0.825 106 P HA -0.270 nan 4.420 nan 0.000 0.217 106 P C 1.398 178.642 177.300 -0.095 0.000 1.162 106 P CA 1.746 64.820 63.100 -0.044 0.000 0.901 106 P CB 0.005 31.732 31.700 0.045 0.000 0.793 107 Q N -1.032 118.696 119.800 -0.120 0.000 2.123 107 Q HA -0.012 4.321 4.340 -0.011 0.000 0.199 107 Q C 2.271 178.191 176.000 -0.134 0.000 0.966 107 Q CA 1.589 57.311 55.803 -0.135 0.000 0.845 107 Q CB -0.719 27.965 28.738 -0.090 0.000 0.907 107 Q HN 0.196 nan 8.270 nan 0.000 0.439 108 A N 0.186 122.920 122.820 -0.142 0.000 1.968 108 A HA -0.113 4.200 4.320 -0.011 0.000 0.217 108 A C 1.979 179.440 177.584 -0.205 0.000 1.169 108 A CA 0.973 52.923 52.037 -0.146 0.000 0.638 108 A CB -0.222 18.697 19.000 -0.134 0.000 0.812 108 A HN 0.203 nan 8.150 nan 0.000 0.446 109 M N 0.262 119.699 119.600 -0.271 0.000 2.175 109 M HA -0.087 4.387 4.480 -0.011 0.000 0.264 109 M C 1.835 178.014 176.300 -0.203 0.000 1.063 109 M CA 1.367 56.459 55.300 -0.347 0.000 1.119 109 M CB -1.171 31.144 32.600 -0.475 0.000 1.377 109 M HN 0.407 nan 8.290 nan 0.000 0.415 110 K N 0.142 120.443 120.400 -0.164 0.000 2.044 110 K HA -0.205 4.108 4.320 -0.011 0.000 0.210 110 K C 1.586 178.226 176.600 0.067 0.000 1.049 110 K CA 1.629 57.851 56.287 -0.109 0.000 0.927 110 K CB -0.332 31.989 32.500 -0.298 0.000 0.713 110 K HN 0.309 nan 8.250 nan 0.000 0.443 111 D N 0.505 120.883 120.400 -0.036 0.000 2.117 111 D HA -0.149 4.485 4.640 -0.011 0.000 0.198 111 D C 1.920 178.189 176.300 -0.051 0.000 0.982 111 D CA 1.045 55.026 54.000 -0.031 0.000 0.828 111 D CB -0.177 40.590 40.800 -0.054 0.000 0.967 111 D HN 0.168 nan 8.370 nan 0.000 0.464 112 E N 0.760 120.896 120.200 -0.106 0.000 2.023 112 E HA -0.148 4.195 4.350 -0.011 0.000 0.196 112 E C 2.124 178.664 176.600 -0.100 0.000 1.003 112 E CA 1.169 57.496 56.400 -0.121 0.000 0.809 112 E CB -0.294 29.249 29.700 -0.261 0.000 0.755 112 E HN 0.167 nan 8.360 nan 0.000 0.449 113 M N 0.218 119.691 119.600 -0.212 0.000 2.144 113 M HA -0.158 4.316 4.480 -0.011 0.000 0.260 113 M C 2.295 178.431 176.300 -0.273 0.000 1.067 113 M CA 1.784 56.920 55.300 -0.273 0.000 1.095 113 M CB -0.540 32.017 32.600 -0.071 0.000 1.365 113 M HN 0.059 nan 8.290 nan 0.000 0.406 114 S N 0.371 116.052 115.700 -0.032 0.000 2.402 114 S HA -0.131 4.333 4.470 -0.011 0.000 0.229 114 S C 1.787 176.336 174.600 -0.085 0.000 1.021 114 S CA 1.183 59.364 58.200 -0.032 0.000 0.974 114 S CB -0.351 62.846 63.200 -0.005 0.000 0.800 114 S HN 0.449 nan 8.310 nan 0.000 0.484 115 K N 1.148 121.489 120.400 -0.099 0.000 2.063 115 K HA -0.200 4.114 4.320 -0.011 0.000 0.208 115 K C 1.899 178.326 176.600 -0.289 0.000 1.048 115 K CA 1.499 57.682 56.287 -0.174 0.000 0.928 115 K CB -0.221 32.173 32.500 -0.176 0.000 0.713 115 K HN 0.497 nan 8.250 nan 0.000 0.442 116 H N -1.240 117.677 119.070 -0.256 0.000 2.403 116 H HA -0.080 4.469 4.556 -0.011 0.000 0.298 116 H C 1.849 177.064 175.328 -0.189 0.000 1.059 116 H CA 1.369 57.173 56.048 -0.407 0.000 1.363 116 H CB -0.189 28.967 29.762 -1.010 0.000 1.410 116 H HN 0.365 nan 8.280 nan 0.000 0.528 117 Y N 1.193 121.424 120.300 -0.115 0.000 2.421 117 Y HA 0.024 4.568 4.550 -0.011 0.000 0.292 117 Y C 1.534 177.338 175.900 -0.161 0.000 1.136 117 Y CA -0.316 57.714 58.100 -0.116 0.000 1.255 117 Y CB 0.331 38.475 38.460 -0.526 0.000 0.991 117 Y HN 0.056 nan 8.280 nan 0.000 0.552 118 A N 0.659 123.477 122.820 -0.003 0.000 2.444 118 A HA 0.400 4.713 4.320 -0.011 0.000 0.287 118 A C 1.330 178.926 177.584 0.020 0.000 1.195 118 A CA 0.687 52.694 52.037 -0.050 0.000 0.858 118 A CB -0.943 18.015 19.000 -0.070 0.000 1.117 118 A HN 0.676 nan 8.150 nan 0.000 0.521 119 G N 1.921 110.746 108.800 0.043 0.000 2.176 119 G HA2 -0.295 3.659 3.960 -0.011 0.000 0.253 119 G HA3 -0.295 3.659 3.960 -0.011 0.000 0.253 119 G C 1.178 176.157 174.900 0.133 0.000 0.979 119 G CA 1.022 46.165 45.100 0.072 0.000 0.641 119 G HN 1.778 nan 8.290 nan 0.000 0.530 120 S N -0.672 115.174 115.700 0.243 0.000 2.474 120 S HA 0.152 4.615 4.470 -0.011 0.000 0.235 120 S C 1.986 176.686 174.600 0.167 0.000 0.997 120 S CA 1.479 59.851 58.200 0.286 0.000 0.949 120 S CB -0.138 63.372 63.200 0.516 0.000 0.766 120 S HN 0.486 nan 8.310 nan 0.000 0.517 121 M N 0.389 120.071 119.600 0.137 0.000 2.371 121 M HA 0.274 4.748 4.480 -0.011 0.000 0.246 121 M C 0.489 176.781 176.300 -0.014 0.000 1.103 121 M CA -0.107 55.191 55.300 -0.003 0.000 1.010 121 M CB 0.161 32.701 32.600 -0.100 0.000 1.457 121 M HN 0.120 nan 8.290 nan 0.000 0.486 122 K N 0.715 121.128 120.400 0.021 0.000 2.524 122 K HA 0.079 4.392 4.320 -0.011 0.000 0.279 122 K C 1.111 177.705 176.600 -0.010 0.000 0.993 122 K CA 1.347 57.637 56.287 0.005 0.000 1.030 122 K CB 0.206 32.717 32.500 0.018 0.000 0.891 122 K HN 0.401 nan 8.250 nan 0.000 0.488 123 G N 2.870 111.658 108.800 -0.020 0.000 2.184 123 G HA2 -0.304 3.649 3.960 -0.011 0.000 0.264 123 G HA3 -0.304 3.649 3.960 -0.011 0.000 0.264 123 G C -0.094 174.783 174.900 -0.037 0.000 0.975 123 G CA 0.495 45.581 45.100 -0.023 0.000 0.642 123 G HN 0.608 nan 8.290 nan 0.000 0.536 124 R N -0.635 119.830 120.500 -0.059 0.000 2.837 124 R HA 0.657 4.991 4.340 -0.011 0.000 0.271 124 R C -0.330 175.884 176.300 -0.145 0.000 0.993 124 R CA -0.084 55.966 56.100 -0.084 0.000 0.931 124 R CB 1.532 31.781 30.300 -0.085 0.000 1.206 124 R HN 0.212 nan 8.270 nan 0.000 0.474 125 T N 0.469 114.899 114.554 -0.207 0.000 2.875 125 T HA 0.370 4.713 4.350 -0.011 0.000 0.284 125 T C -0.058 174.300 174.700 -0.570 0.000 0.995 125 T CA -0.641 61.226 62.100 -0.388 0.000 1.060 125 T CB 0.774 69.376 68.868 -0.443 0.000 0.967 125 T HN 0.504 nan 8.240 nan 0.000 0.476 126 M N 5.486 124.766 119.600 -0.535 0.000 2.063 126 M HA 0.374 4.847 4.480 -0.011 0.000 0.348 126 M C -1.704 174.260 176.300 -0.560 0.000 1.180 126 M CA -0.718 54.284 55.300 -0.496 0.000 1.059 126 M CB 0.122 32.492 32.600 -0.383 0.000 1.544 126 M HN 0.699 nan 8.290 nan 0.000 0.447 127 Y N 3.585 123.776 120.300 -0.181 0.000 2.299 127 Y HA 0.428 4.971 4.550 -0.011 0.000 0.326 127 Y C -0.019 175.757 175.900 -0.207 0.000 1.164 127 Y CA -0.600 57.408 58.100 -0.154 0.000 1.234 127 Y CB 1.069 39.468 38.460 -0.102 0.000 1.219 127 Y HN 0.357 nan 8.280 nan 0.000 0.497 128 V N 4.404 124.241 119.914 -0.130 0.000 2.313 128 V HA 0.273 4.386 4.120 -0.011 0.000 0.278 128 V C -0.619 175.419 176.094 -0.094 0.000 1.017 128 V CA -0.825 61.300 62.300 -0.291 0.000 0.823 128 V CB 1.037 32.288 31.823 -0.952 0.000 1.010 128 V HN 0.534 nan 8.190 nan 0.000 0.443 129 V N 8.066 128.005 119.914 0.042 0.000 2.257 129 V HA 0.320 4.433 4.120 -0.011 0.000 0.269 129 V C -2.356 173.881 176.094 0.238 0.000 1.040 129 V CA -1.811 60.566 62.300 0.128 0.000 0.813 129 V CB 1.231 33.118 31.823 0.107 0.000 1.065 129 V HN 0.682 nan 8.190 nan 0.000 0.457 130 P HA 0.446 nan 4.420 nan 0.000 0.275 130 P C -0.800 176.663 177.300 0.271 0.000 1.228 130 P CA -0.002 63.186 63.100 0.146 0.000 0.786 130 P CB 0.477 32.219 31.700 0.070 0.000 0.927 131 F N -0.200 119.769 119.950 0.033 0.000 2.678 131 F HA 0.652 5.173 4.527 -0.011 0.000 0.308 131 F C -1.513 174.289 175.800 0.003 0.000 1.118 131 F CA -1.138 56.866 58.000 0.008 0.000 0.959 131 F CB 0.560 39.555 39.000 -0.009 0.000 1.305 131 F HN 0.431 nan 8.300 nan 0.000 0.443 132 C N 4.453 123.835 119.300 0.137 0.000 2.634 132 C HA 0.738 5.191 4.460 -0.011 0.000 0.313 132 C C -0.360 174.648 174.990 0.030 0.000 1.198 132 C CA -0.698 58.331 59.018 0.019 0.000 1.605 132 C CB 1.652 29.392 27.740 -0.000 0.000 2.196 132 C HN 0.913 nan 8.230 nan 0.000 0.486 133 M N 5.039 124.612 119.600 -0.044 0.000 3.344 133 M HA 0.431 4.905 4.480 -0.011 0.000 0.224 133 M C 0.493 176.656 176.300 -0.228 0.000 1.164 133 M CA 0.255 55.450 55.300 -0.174 0.000 1.135 133 M CB -0.672 31.763 32.600 -0.275 0.000 1.228 133 M HN 1.139 nan 8.290 nan 0.000 0.586 134 G N 1.049 109.774 108.800 -0.125 0.000 2.356 134 G HA2 0.225 4.178 3.960 -0.011 0.000 0.288 134 G HA3 0.225 4.178 3.960 -0.011 0.000 0.288 134 G C -3.455 171.426 174.900 -0.032 0.000 1.302 134 G CA -0.989 44.052 45.100 -0.099 0.000 0.887 134 G HN 0.091 nan 8.290 nan 0.000 0.521 135 P HA 0.178 nan 4.420 nan 0.000 0.263 135 P C 1.273 178.560 177.300 -0.022 0.000 1.175 135 P CA -0.228 62.873 63.100 0.002 0.000 0.761 135 P CB 0.444 32.209 31.700 0.108 0.000 0.794 136 I N 1.961 122.498 120.570 -0.055 0.000 2.567 136 I HA -0.175 3.988 4.170 -0.011 0.000 0.257 136 I C 1.749 177.776 176.117 -0.150 0.000 1.184 136 I CA 1.868 63.120 61.300 -0.081 0.000 1.451 136 I CB -1.026 36.930 38.000 -0.073 0.000 1.089 136 I HN 0.382 nan 8.210 nan 0.000 0.441 137 S N -1.051 114.513 115.700 -0.228 0.000 2.527 137 S HA -0.048 4.415 4.470 -0.011 0.000 0.222 137 S C 0.871 175.087 174.600 -0.640 0.000 0.985 137 S CA -0.302 57.603 58.200 -0.491 0.000 0.921 137 S CB -0.374 62.395 63.200 -0.719 0.000 0.772 137 S HN 0.430 nan 8.310 nan 0.000 0.529 138 D N 3.566 123.800 120.400 -0.277 0.000 2.493 138 D HA 0.025 4.659 4.640 -0.011 0.000 0.240 138 D C -1.356 174.835 176.300 -0.181 0.000 1.142 138 D CA -1.052 52.868 54.000 -0.132 0.000 0.872 138 D CB 1.286 42.120 40.800 0.056 0.000 1.173 138 D HN 0.118 nan 8.370 nan 0.000 0.467 139 P HA -0.050 nan 4.420 nan 0.000 0.225 139 P C 0.188 177.449 177.300 -0.065 0.000 1.148 139 P CA 0.953 63.982 63.100 -0.119 0.000 0.779 139 P CB 0.453 32.106 31.700 -0.079 0.000 0.780 140 D N -0.488 119.889 120.400 -0.039 0.000 3.285 140 D HA 0.148 4.782 4.640 -0.011 0.000 0.273 140 D C -2.623 173.674 176.300 -0.004 0.000 1.295 140 D CA -1.043 52.944 54.000 -0.020 0.000 0.762 140 D CB 1.395 42.182 40.800 -0.022 0.000 1.379 140 D HN 0.072 nan 8.370 nan 0.000 0.612 141 P HA 0.397 nan 4.420 nan 0.000 0.282 141 P C -0.484 176.874 177.300 0.096 0.000 1.259 141 P CA -0.628 62.499 63.100 0.046 0.000 0.826 141 P CB 1.615 33.328 31.700 0.022 0.000 1.064 142 K N 0.897 121.411 120.400 0.191 0.000 2.218 142 K HA 0.572 4.886 4.320 -0.011 0.000 0.276 142 K C -0.251 176.458 176.600 0.183 0.000 1.022 142 K CA -0.056 56.401 56.287 0.284 0.000 0.946 142 K CB 0.237 33.046 32.500 0.515 0.000 1.000 142 K HN 0.403 nan 8.250 nan 0.000 0.468 143 L N 0.829 122.168 121.223 0.192 0.000 2.424 143 L HA 0.757 5.090 4.340 -0.011 0.000 0.258 143 L C -0.031 176.841 176.870 0.003 0.000 0.995 143 L CA -0.876 53.968 54.840 0.006 0.000 0.821 143 L CB 2.648 44.733 42.059 0.044 0.000 1.383 143 L HN 0.746 nan 8.230 nan 0.000 0.410 144 G N 0.617 109.108 108.800 -0.515 0.000 2.695 144 G HA2 0.696 4.650 3.960 -0.011 0.000 0.290 144 G HA3 0.696 4.650 3.960 -0.011 0.000 0.290 144 G C -2.023 172.597 174.900 -0.467 0.000 1.410 144 G CA -0.480 44.359 45.100 -0.434 0.000 0.844 144 G HN 0.271 nan 8.290 nan 0.000 0.478 145 V N 0.173 120.130 119.914 0.071 0.000 2.588 145 V HA 0.538 4.652 4.120 -0.011 0.000 0.304 145 V C -0.298 176.163 176.094 0.612 0.000 1.042 145 V CA -0.673 61.796 62.300 0.282 0.000 0.877 145 V CB 1.634 33.573 31.823 0.193 0.000 0.996 145 V HN 0.807 nan 8.190 nan 0.000 0.425 146 Q N 3.647 123.803 119.800 0.593 0.000 2.307 146 Q HA 0.643 4.977 4.340 -0.011 0.000 0.262 146 Q C -1.398 174.733 176.000 0.219 0.000 0.961 146 Q CA -0.614 55.454 55.803 0.442 0.000 0.882 146 Q CB 1.531 30.461 28.738 0.320 0.000 1.264 146 Q HN 0.718 nan 8.270 nan 0.000 0.446 147 L N 3.182 124.475 121.223 0.115 0.000 2.265 147 L HA 0.496 4.830 4.340 -0.011 0.000 0.288 147 L C 0.105 176.896 176.870 -0.132 0.000 1.058 147 L CA -0.320 54.435 54.840 -0.143 0.000 0.809 147 L CB 1.447 43.272 42.059 -0.390 0.000 1.179 147 L HN 0.565 nan 8.230 nan 0.000 0.429 148 T N -0.551 113.952 114.554 -0.086 0.000 2.903 148 T HA 0.307 4.650 4.350 -0.011 0.000 0.299 148 T C -0.270 174.398 174.700 -0.054 0.000 1.093 148 T CA -0.692 61.404 62.100 -0.007 0.000 1.002 148 T CB 1.512 70.515 68.868 0.225 0.000 1.127 148 T HN 0.688 nan 8.240 nan 0.000 0.488 149 D N 1.306 121.630 120.400 -0.126 0.000 2.358 149 D HA 0.224 4.857 4.640 -0.011 0.000 0.224 149 D C 0.309 176.639 176.300 0.050 0.000 1.123 149 D CA -0.185 53.773 54.000 -0.071 0.000 0.833 149 D CB 0.179 40.876 40.800 -0.172 0.000 0.946 149 D HN 0.249 nan 8.370 nan 0.000 0.505 150 S N -0.021 115.736 115.700 0.094 0.000 2.566 150 S HA 0.186 4.650 4.470 -0.011 0.000 0.324 150 S C 0.698 175.277 174.600 -0.035 0.000 1.081 150 S CA -0.652 57.569 58.200 0.034 0.000 1.105 150 S CB 1.151 64.407 63.200 0.092 0.000 0.981 150 S HN 0.053 nan 8.310 nan 0.000 0.464 151 E N 2.853 122.983 120.200 -0.116 0.000 2.268 151 E HA -0.132 4.211 4.350 -0.011 0.000 0.195 151 E C 0.833 177.297 176.600 -0.226 0.000 0.995 151 E CA 0.860 57.071 56.400 -0.314 0.000 0.836 151 E CB -0.087 29.443 29.700 -0.283 0.000 0.763 151 E HN 0.906 nan 8.360 nan 0.000 0.491 152 Y N 0.781 120.933 120.300 -0.246 0.000 2.145 152 Y HA -0.257 4.287 4.550 -0.010 0.000 0.286 152 Y C 2.052 177.849 175.900 -0.171 0.000 1.145 152 Y CA 1.227 59.201 58.100 -0.209 0.000 1.148 152 Y CB -0.306 38.029 38.460 -0.207 0.000 0.981 152 Y HN -0.178 nan 8.280 nan 0.000 0.507 153 V N -0.854 118.967 119.914 -0.155 0.000 2.307 153 V HA -0.288 3.825 4.120 -0.011 0.000 0.245 153 V C 2.389 178.331 176.094 -0.254 0.000 1.045 153 V CA 1.691 63.852 62.300 -0.231 0.000 1.024 153 V CB -0.783 30.969 31.823 -0.118 0.000 0.651 153 V HN 0.357 nan 8.190 nan 0.000 0.449 154 V N -0.294 119.487 119.914 -0.221 0.000 2.278 154 V HA -0.417 3.697 4.120 -0.011 0.000 0.251 154 V C 2.362 178.345 176.094 -0.186 0.000 1.062 154 V CA 2.706 64.872 62.300 -0.224 0.000 1.038 154 V CB -0.703 30.913 31.823 -0.346 0.000 0.646 154 V HN 0.469 nan 8.190 nan 0.000 0.447 155 M N -0.382 119.077 119.600 -0.234 0.000 2.099 155 M HA -0.151 4.322 4.480 -0.011 0.000 0.262 155 M C 2.501 178.788 176.300 -0.021 0.000 1.067 155 M CA 2.038 57.259 55.300 -0.131 0.000 1.124 155 M CB -0.549 31.786 32.600 -0.441 0.000 1.353 155 M HN 0.352 nan 8.290 nan 0.000 0.410 156 S N 0.475 116.022 115.700 -0.255 0.000 2.365 156 S HA -0.153 4.311 4.470 -0.011 0.000 0.225 156 S C 1.906 176.401 174.600 -0.175 0.000 1.039 156 S CA 1.324 59.385 58.200 -0.232 0.000 1.033 156 S CB -0.284 62.655 63.200 -0.435 0.000 0.887 156 S HN 0.392 nan 8.310 nan 0.000 0.447 157 M N 0.994 120.461 119.600 -0.221 0.000 2.106 157 M HA -0.139 4.334 4.480 -0.011 0.000 0.259 157 M C 2.255 178.474 176.300 -0.136 0.000 1.068 157 M CA 1.435 56.599 55.300 -0.227 0.000 1.100 157 M CB -1.126 31.323 32.600 -0.252 0.000 1.351 157 M HN 0.330 nan 8.290 nan 0.000 0.404 158 R N 0.563 121.032 120.500 -0.051 0.000 2.103 158 R HA -0.153 4.180 4.340 -0.011 0.000 0.242 158 R C 1.961 178.229 176.300 -0.053 0.000 1.142 158 R CA 1.720 57.817 56.100 -0.005 0.000 0.960 158 R CB -0.318 30.049 30.300 0.112 0.000 0.858 158 R HN 0.341 nan 8.270 nan 0.000 0.439 159 I N 0.004 120.547 120.570 -0.045 0.000 2.406 159 I HA -0.176 3.988 4.170 -0.011 0.000 0.249 159 I C 1.848 177.901 176.117 -0.106 0.000 1.122 159 I CA 0.758 62.008 61.300 -0.084 0.000 1.431 159 I CB -0.003 37.971 38.000 -0.043 0.000 1.087 159 I HN 0.225 nan 8.210 nan 0.000 0.424 160 M N -0.176 119.348 119.600 -0.127 0.000 2.514 160 M HA 0.128 4.602 4.480 -0.011 0.000 0.258 160 M C 0.869 177.068 176.300 -0.168 0.000 1.119 160 M CA 0.618 55.822 55.300 -0.161 0.000 1.111 160 M CB -0.909 31.561 32.600 -0.217 0.000 1.390 160 M HN 0.298 nan 8.290 nan 0.000 0.475 161 T N -1.711 112.756 114.554 -0.145 0.000 2.896 161 T HA 0.586 4.929 4.350 -0.011 0.000 0.297 161 T C -0.421 174.255 174.700 -0.039 0.000 1.108 161 T CA -0.977 61.065 62.100 -0.097 0.000 1.004 161 T CB 1.940 70.735 68.868 -0.121 0.000 1.159 161 T HN -0.014 nan 8.240 nan 0.000 0.499 162 R N 1.926 122.425 120.500 -0.001 0.000 2.540 162 R HA 0.274 4.607 4.340 -0.011 0.000 0.317 162 R C 0.264 176.602 176.300 0.064 0.000 1.233 162 R CA -0.013 56.098 56.100 0.019 0.000 1.003 162 R CB -0.847 29.459 30.300 0.010 0.000 1.034 162 R HN 0.643 nan 8.270 nan 0.000 0.483 163 M N 1.514 121.142 119.600 0.045 0.000 2.423 163 M HA 0.531 5.004 4.480 -0.011 0.000 0.335 163 M C 0.461 176.799 176.300 0.064 0.000 1.177 163 M CA 0.552 55.900 55.300 0.079 0.000 1.038 163 M CB 1.467 34.094 32.600 0.043 0.000 1.641 163 M HN 0.698 nan 8.290 nan 0.000 0.455 164 G N 3.042 111.893 108.800 0.084 0.000 2.416 164 G HA2 -0.196 3.757 3.960 -0.011 0.000 0.203 164 G HA3 -0.196 3.757 3.960 -0.011 0.000 0.203 164 G C -0.040 174.900 174.900 0.067 0.000 1.227 164 G CA -0.147 44.998 45.100 0.075 0.000 1.041 164 G HN 0.734 nan 8.290 nan 0.000 0.546 165 I N 1.456 122.059 120.570 0.056 0.000 2.151 165 I HA -0.092 4.071 4.170 -0.011 0.000 0.243 165 I C 2.532 178.660 176.117 0.018 0.000 1.080 165 I CA 3.053 64.376 61.300 0.039 0.000 1.339 165 I CB -0.631 37.384 38.000 0.026 0.000 1.039 165 I HN 0.703 nan 8.210 nan 0.000 0.409 166 E N 0.086 120.291 120.200 0.008 0.000 2.097 166 E HA -0.259 4.084 4.350 -0.011 0.000 0.196 166 E C 2.148 178.744 176.600 -0.008 0.000 1.000 166 E CA 1.479 57.874 56.400 -0.008 0.000 0.804 166 E CB -0.366 29.323 29.700 -0.017 0.000 0.740 166 E HN 0.654 nan 8.360 nan 0.000 0.454 167 A N 0.749 123.574 122.820 0.008 0.000 2.021 167 A HA -0.011 4.303 4.320 -0.011 0.000 0.216 167 A C 2.056 179.633 177.584 -0.010 0.000 1.163 167 A CA 0.286 52.323 52.037 0.001 0.000 0.676 167 A CB -0.274 18.740 19.000 0.023 0.000 0.818 167 A HN 0.196 nan 8.150 nan 0.000 0.453 168 L N -0.524 120.703 121.223 0.008 0.000 2.265 168 L HA -0.158 4.175 4.340 -0.011 0.000 0.215 168 L C 1.280 178.143 176.870 -0.012 0.000 1.117 168 L CA 1.469 56.310 54.840 0.002 0.000 0.782 168 L CB -0.255 41.835 42.059 0.051 0.000 0.914 168 L HN 0.344 nan 8.230 nan 0.000 0.441 169 D N -0.706 119.687 120.400 -0.012 0.000 2.271 169 D HA -0.118 4.516 4.640 -0.011 0.000 0.206 169 D C 2.004 178.290 176.300 -0.023 0.000 0.967 169 D CA 0.623 54.612 54.000 -0.018 0.000 0.867 169 D CB 0.372 41.159 40.800 -0.020 0.000 0.960 169 D HN 0.045 nan 8.370 nan 0.000 0.509 170 K N 0.874 121.259 120.400 -0.025 0.000 2.103 170 K HA -0.040 4.273 4.320 -0.011 0.000 0.204 170 K C 2.045 178.637 176.600 -0.013 0.000 1.052 170 K CA 0.395 56.666 56.287 -0.026 0.000 0.945 170 K CB -0.284 32.199 32.500 -0.028 0.000 0.722 170 K HN 0.196 nan 8.250 nan 0.000 0.443 171 I N -1.817 118.740 120.570 -0.021 0.000 2.142 171 I HA 0.049 4.213 4.170 -0.011 0.000 0.240 171 I C 1.193 177.316 176.117 0.010 0.000 1.078 171 I CA 1.596 62.891 61.300 -0.008 0.000 1.343 171 I CB -0.782 37.157 38.000 -0.102 0.000 1.046 171 I HN 0.256 nan 8.210 nan 0.000 0.405 172 G N -0.151 108.645 108.800 -0.006 0.000 2.542 172 G HA2 -0.097 3.856 3.960 -0.011 0.000 0.235 172 G HA3 -0.097 3.856 3.960 -0.011 0.000 0.235 172 G C 0.652 175.561 174.900 0.015 0.000 1.286 172 G CA 0.568 45.669 45.100 0.002 0.000 0.904 172 G HN 1.143 nan 8.290 nan 0.000 0.577 173 A N -1.102 121.730 122.820 0.020 0.000 1.984 173 A HA 0.286 4.600 4.320 -0.011 0.000 0.214 173 A C 1.795 179.409 177.584 0.049 0.000 1.173 173 A CA 2.050 54.104 52.037 0.029 0.000 0.673 173 A CB -0.111 18.900 19.000 0.018 0.000 0.830 173 A HN 0.691 nan 8.150 nan 0.000 0.453 174 N N -0.776 117.954 118.700 0.050 0.000 2.145 174 N HA 0.101 4.835 4.740 -0.011 0.000 0.219 174 N C 0.881 176.436 175.510 0.075 0.000 1.266 174 N CA 0.565 53.650 53.050 0.059 0.000 0.902 174 N CB 0.346 38.855 38.487 0.037 0.000 1.078 174 N HN 0.331 nan 8.380 nan 0.000 0.513 175 G N 1.194 110.041 108.800 0.079 0.000 2.614 175 G HA2 0.278 4.231 3.960 -0.011 0.000 0.239 175 G HA3 0.278 4.231 3.960 -0.011 0.000 0.239 175 G C 0.395 175.407 174.900 0.186 0.000 1.240 175 G CA 0.015 45.174 45.100 0.097 0.000 0.842 175 G HN 0.190 nan 8.290 nan 0.000 0.584 176 S N -0.786 115.009 115.700 0.158 0.000 2.767 176 S HA 0.886 5.349 4.470 -0.011 0.000 0.300 176 S C -0.614 174.149 174.600 0.271 0.000 1.123 176 S CA -0.693 57.589 58.200 0.137 0.000 0.992 176 S CB 1.578 64.761 63.200 -0.027 0.000 1.138 176 S HN 1.377 nan 8.310 nan 0.000 0.550 177 F N -3.047 116.857 119.950 -0.077 0.000 2.725 177 F HA 0.562 5.082 4.527 -0.012 0.000 0.311 177 F C -1.498 174.225 175.800 -0.129 0.000 1.121 177 F CA -1.622 56.326 58.000 -0.088 0.000 0.978 177 F CB 0.462 39.389 39.000 -0.122 0.000 1.274 177 F HN 0.415 nan 8.300 nan 0.000 0.440 178 V N 2.991 122.922 119.914 0.028 0.000 2.572 178 V HA 0.308 4.421 4.120 -0.011 0.000 0.291 178 V C 0.167 176.255 176.094 -0.010 0.000 1.039 178 V CA -0.478 61.760 62.300 -0.104 0.000 1.055 178 V CB 0.632 32.304 31.823 -0.252 0.000 0.969 178 V HN 0.796 nan 8.190 nan 0.000 0.482 179 R N 3.723 124.120 120.500 -0.171 0.000 2.294 179 R HA 0.639 4.973 4.340 -0.011 0.000 0.319 179 R C -1.263 175.248 176.300 0.351 0.000 0.984 179 R CA -0.510 55.505 56.100 -0.140 0.000 0.861 179 R CB 0.699 30.400 30.300 -0.998 0.000 1.104 179 R HN 0.574 nan 8.270 nan 0.000 0.451 180 C N 4.035 123.690 119.300 0.591 0.000 2.379 180 C HA 0.530 4.984 4.460 -0.011 0.000 0.323 180 C C -0.539 174.821 174.990 0.617 0.000 1.262 180 C CA -0.924 58.465 59.018 0.619 0.000 1.581 180 C CB 0.708 28.786 27.740 0.563 0.000 2.221 180 C HN 0.635 nan 8.230 nan 0.000 0.497 181 L N 3.841 125.367 121.223 0.505 0.000 2.346 181 L HA 0.628 4.962 4.340 -0.011 0.000 0.276 181 L C -0.138 176.921 176.870 0.315 0.000 1.006 181 L CA 0.122 55.088 54.840 0.209 0.000 0.817 181 L CB 0.948 42.885 42.059 -0.202 0.000 1.272 181 L HN 0.809 nan 8.230 nan 0.000 0.421 182 H N 1.965 121.032 119.070 -0.006 0.000 3.026 182 H HA 0.485 5.034 4.556 -0.011 0.000 0.352 182 H C -1.852 173.450 175.328 -0.043 0.000 1.090 182 H CA -0.188 55.932 56.048 0.120 0.000 1.268 182 H CB 2.058 31.882 29.762 0.104 0.000 1.816 182 H HN 0.542 nan 8.280 nan 0.000 0.518 183 S N 3.423 118.946 115.700 -0.295 0.000 2.538 183 S HA 0.235 4.698 4.470 -0.011 0.000 0.288 183 S C 1.042 175.320 174.600 -0.537 0.000 1.108 183 S CA -0.256 57.703 58.200 -0.403 0.000 0.971 183 S CB 1.298 64.579 63.200 0.136 0.000 1.041 183 S HN 0.566 nan 8.310 nan 0.000 0.483 184 V N 2.093 121.710 119.914 -0.495 0.000 3.305 184 V HA 0.350 4.463 4.120 -0.011 0.000 0.269 184 V C 1.327 177.205 176.094 -0.360 0.000 1.157 184 V CA 0.732 62.818 62.300 -0.356 0.000 1.157 184 V CB -1.369 30.300 31.823 -0.257 0.000 0.772 184 V HN 1.700 nan 8.190 nan 0.000 0.498 185 G N 0.178 108.795 108.800 -0.305 0.000 2.298 185 G HA2 0.092 4.045 3.960 -0.011 0.000 0.287 185 G HA3 0.092 4.045 3.960 -0.011 0.000 0.287 185 G C 0.198 175.078 174.900 -0.033 0.000 1.075 185 G CA 0.236 45.217 45.100 -0.199 0.000 0.960 185 G HN 1.989 nan 8.290 nan 0.000 0.502 186 A N 0.415 123.227 122.820 -0.014 0.000 3.365 186 A HA 0.723 5.036 4.320 -0.011 0.000 0.258 186 A C -1.508 176.084 177.584 0.013 0.000 0.964 186 A CA -0.537 51.500 52.037 0.001 0.000 0.988 186 A CB 1.265 20.243 19.000 -0.036 0.000 1.193 186 A HN 0.346 nan 8.150 nan 0.000 0.508 187 P HA 0.201 nan 4.420 nan 0.000 0.267 187 P C -0.437 176.877 177.300 0.022 0.000 1.201 187 P CA 0.473 63.596 63.100 0.039 0.000 0.775 187 P CB 0.839 32.577 31.700 0.063 0.000 0.854 188 L N 1.205 122.434 121.223 0.010 0.000 2.331 188 L HA 0.418 4.752 4.340 -0.011 0.000 0.275 188 L C 1.191 178.066 176.870 0.009 0.000 1.022 188 L CA -0.876 53.968 54.840 0.008 0.000 0.812 188 L CB 1.286 43.345 42.059 -0.001 0.000 1.257 188 L HN 0.453 nan 8.230 nan 0.000 0.435 189 E N 2.567 122.773 120.200 0.010 0.000 2.283 189 E HA 0.418 4.761 4.350 -0.011 0.000 0.267 189 E C -2.580 174.023 176.600 0.005 0.000 1.045 189 E CA -2.023 54.382 56.400 0.008 0.000 0.884 189 E CB 1.233 30.939 29.700 0.011 0.000 1.106 189 E HN 0.227 nan 8.360 nan 0.000 0.408 190 P HA 0.089 nan 4.420 nan 0.000 0.266 190 P C 0.249 177.551 177.300 0.003 0.000 1.195 190 P CA 0.958 64.059 63.100 0.002 0.000 0.768 190 P CB 0.484 32.185 31.700 0.001 0.000 0.838 191 G N 1.260 110.062 108.800 0.003 0.000 2.258 191 G HA2 -0.299 3.654 3.960 -0.011 0.000 0.274 191 G HA3 -0.299 3.654 3.960 -0.011 0.000 0.274 191 G C 0.042 174.946 174.900 0.006 0.000 1.021 191 G CA 0.031 45.134 45.100 0.004 0.000 0.798 191 G HN 0.720 nan 8.290 nan 0.000 0.507 192 Q N 0.143 119.947 119.800 0.006 0.000 2.325 192 Q HA 0.380 4.714 4.340 -0.011 0.000 0.262 192 Q C 0.099 176.104 176.000 0.008 0.000 0.968 192 Q CA -0.671 55.137 55.803 0.008 0.000 0.877 192 Q CB 0.680 29.424 28.738 0.010 0.000 1.253 192 Q HN 0.417 nan 8.270 nan 0.000 0.448 193 E N 2.670 122.876 120.200 0.010 0.000 2.392 193 E HA -0.026 4.317 4.350 -0.011 0.000 0.264 193 E C -0.858 175.749 176.600 0.013 0.000 1.024 193 E CA 0.479 56.886 56.400 0.012 0.000 0.903 193 E CB 0.963 30.671 29.700 0.014 0.000 0.963 193 E HN 0.613 nan 8.360 nan 0.000 0.432 194 D N 0.786 121.193 120.400 0.012 0.000 2.494 194 D HA 0.346 4.979 4.640 -0.011 0.000 0.259 194 D C -0.957 175.354 176.300 0.018 0.000 1.109 194 D CA -0.666 53.340 54.000 0.010 0.000 1.040 194 D CB 1.482 42.282 40.800 -0.000 0.000 1.175 194 D HN 0.144 nan 8.370 nan 0.000 0.584 195 V N -1.169 118.758 119.914 0.021 0.000 2.713 195 V HA 0.720 4.833 4.120 -0.011 0.000 0.307 195 V C 1.438 177.561 176.094 0.048 0.000 1.052 195 V CA 0.059 62.384 62.300 0.042 0.000 0.967 195 V CB 0.718 32.578 31.823 0.061 0.000 1.019 195 V HN 0.686 nan 8.190 nan 0.000 0.459 196 A N 2.884 125.751 122.820 0.078 0.000 1.894 196 A HA -0.216 4.097 4.320 -0.011 0.000 0.220 196 A C 1.276 178.941 177.584 0.135 0.000 1.237 196 A CA 2.384 54.486 52.037 0.108 0.000 0.660 196 A CB -0.597 18.485 19.000 0.138 0.000 0.835 196 A HN 1.225 nan 8.150 nan 0.000 0.461 197 W N 1.340 122.631 121.300 -0.015 0.000 2.374 197 W HA 0.452 5.106 4.660 -0.011 0.000 0.302 197 W C -3.201 173.309 176.519 -0.015 0.000 0.942 197 W CA -2.600 54.726 57.345 -0.032 0.000 1.666 197 W CB 0.737 30.187 29.460 -0.016 0.000 1.593 197 W HN 0.133 nan 8.180 nan 0.000 0.412 198 P HA 0.189 nan 4.420 nan 0.000 0.272 198 P C -0.336 176.861 177.300 -0.171 0.000 1.223 198 P CA 0.405 63.417 63.100 -0.148 0.000 0.784 198 P CB 0.976 32.586 31.700 -0.151 0.000 0.923 199 C N -0.536 118.735 119.300 -0.048 0.000 3.165 199 C HA 0.601 5.055 4.460 -0.011 0.000 0.345 199 C C -1.852 173.126 174.990 -0.019 0.000 1.367 199 C CA -0.830 58.181 59.018 -0.011 0.000 1.205 199 C CB 1.172 29.010 27.740 0.164 0.000 1.447 199 C HN 0.561 nan 8.230 nan 0.000 0.451 200 N N 0.255 118.924 118.700 -0.052 0.000 2.238 200 N HA 0.361 5.094 4.740 -0.011 0.000 0.302 200 N C 0.027 175.551 175.510 0.024 0.000 1.072 200 N CA -0.286 52.752 53.050 -0.020 0.000 0.792 200 N CB 2.217 40.650 38.487 -0.089 0.000 1.425 200 N HN 0.805 nan 8.380 nan 0.000 0.478 201 D N 0.432 120.866 120.400 0.056 0.000 2.263 201 D HA -0.054 4.579 4.640 -0.011 0.000 0.208 201 D C -0.028 176.285 176.300 0.021 0.000 0.971 201 D CA 1.380 55.407 54.000 0.046 0.000 0.867 201 D CB 0.139 40.972 40.800 0.054 0.000 0.929 201 D HN 0.407 nan 8.370 nan 0.000 0.492 202 T N 1.584 116.162 114.554 0.041 0.000 2.743 202 T HA 0.341 4.684 4.350 -0.011 0.000 0.293 202 T C 0.197 174.851 174.700 -0.077 0.000 0.945 202 T CA -0.360 61.702 62.100 -0.064 0.000 1.030 202 T CB 1.083 69.920 68.868 -0.051 0.000 0.912 202 T HN -0.105 nan 8.240 nan 0.000 0.483 203 K N 3.081 123.351 120.400 -0.216 0.000 2.426 203 K HA 0.491 4.805 4.320 -0.011 0.000 0.254 203 K C -1.416 175.091 176.600 -0.155 0.000 0.936 203 K CA -0.688 55.552 56.287 -0.078 0.000 0.801 203 K CB 2.109 34.617 32.500 0.012 0.000 1.139 203 K HN 0.573 nan 8.250 nan 0.000 0.424 204 Y N 2.149 122.603 120.300 0.256 0.000 2.425 204 Y HA 0.501 5.044 4.550 -0.011 0.000 0.344 204 Y C -0.531 175.537 175.900 0.280 0.000 0.969 204 Y CA -1.309 56.940 58.100 0.248 0.000 1.052 204 Y CB 1.634 40.183 38.460 0.149 0.000 1.215 204 Y HN 0.334 nan 8.280 nan 0.000 0.451 205 I N 2.639 123.483 120.570 0.457 0.000 2.468 205 I HA 0.352 4.516 4.170 -0.011 0.000 0.284 205 I C -0.627 175.665 176.117 0.292 0.000 1.038 205 I CA -0.248 61.266 61.300 0.356 0.000 1.083 205 I CB 1.991 40.159 38.000 0.279 0.000 1.223 205 I HN 0.494 nan 8.210 nan 0.000 0.443 206 T N 5.108 119.775 114.554 0.188 0.000 2.841 206 T HA 0.545 4.888 4.350 -0.011 0.000 0.285 206 T C -0.484 174.049 174.700 -0.279 0.000 0.991 206 T CA -0.656 61.367 62.100 -0.128 0.000 0.966 206 T CB 1.333 69.991 68.868 -0.350 0.000 0.962 206 T HN 0.354 nan 8.240 nan 0.000 0.438 207 Q N 1.837 121.424 119.800 -0.356 0.000 2.282 207 Q HA 0.611 4.945 4.340 -0.011 0.000 0.260 207 Q C -1.212 174.436 176.000 -0.587 0.000 0.964 207 Q CA -0.348 55.287 55.803 -0.281 0.000 0.880 207 Q CB 1.403 30.107 28.738 -0.058 0.000 1.286 207 Q HN 0.581 nan 8.270 nan 0.000 0.445 208 F N 3.258 123.158 119.950 -0.085 0.000 2.564 208 F HA 0.340 4.861 4.527 -0.011 0.000 0.368 208 F C -1.742 174.009 175.800 -0.082 0.000 1.127 208 F CA -2.131 55.794 58.000 -0.125 0.000 1.170 208 F CB 1.450 40.309 39.000 -0.235 0.000 1.397 208 F HN 0.510 nan 8.300 nan 0.000 0.493 209 P HA -0.206 nan 4.420 nan 0.000 0.216 209 P C 1.330 178.636 177.300 0.009 0.000 1.150 209 P CA 1.601 64.721 63.100 0.033 0.000 0.843 209 P CB 0.384 32.109 31.700 0.040 0.000 0.787 210 E N -1.108 119.107 120.200 0.026 0.000 2.047 210 E HA -0.121 4.222 4.350 -0.011 0.000 0.191 210 E C 2.003 178.583 176.600 -0.033 0.000 0.987 210 E CA 1.777 58.174 56.400 -0.005 0.000 0.799 210 E CB -1.420 28.285 29.700 0.008 0.000 0.752 210 E HN 0.284 nan 8.360 nan 0.000 0.449 211 T N -0.549 113.986 114.554 -0.032 0.000 3.081 211 T HA 0.039 4.382 4.350 -0.011 0.000 0.250 211 T C 0.259 174.909 174.700 -0.084 0.000 1.100 211 T CA 0.099 62.155 62.100 -0.073 0.000 1.038 211 T CB -0.075 68.730 68.868 -0.105 0.000 0.962 211 T HN -0.063 nan 8.240 nan 0.000 0.516 212 K N 1.864 122.235 120.400 -0.048 0.000 3.257 212 K HA -0.132 4.182 4.320 -0.011 0.000 0.270 212 K C -0.604 175.969 176.600 -0.045 0.000 0.984 212 K CA 0.667 56.910 56.287 -0.073 0.000 0.739 212 K CB -1.536 30.882 32.500 -0.136 0.000 1.351 212 K HN 0.705 nan 8.250 nan 0.000 0.463 213 E N -0.077 120.171 120.200 0.079 0.000 2.244 213 E HA 0.662 5.006 4.350 -0.011 0.000 0.266 213 E C -0.226 176.576 176.600 0.337 0.000 0.914 213 E CA -1.060 55.473 56.400 0.222 0.000 0.794 213 E CB 1.739 31.570 29.700 0.218 0.000 1.210 213 E HN 0.138 nan 8.360 nan 0.000 0.414 214 I N 1.586 122.448 120.570 0.487 0.000 2.512 214 I HA 0.319 4.482 4.170 -0.011 0.000 0.287 214 I C -1.497 175.095 176.117 0.792 0.000 1.069 214 I CA -0.660 60.924 61.300 0.473 0.000 1.056 214 I CB 1.166 39.377 38.000 0.353 0.000 1.229 214 I HN 0.336 nan 8.210 nan 0.000 0.429 215 W N 4.841 126.404 121.300 0.438 0.000 2.554 215 W HA 0.570 5.223 4.660 -0.012 0.000 0.324 215 W C 0.035 176.843 176.519 0.482 0.000 1.018 215 W CA -1.148 56.528 57.345 0.553 0.000 1.243 215 W CB 1.890 31.744 29.460 0.656 0.000 1.345 215 W HN 0.252 nan 8.180 nan 0.000 0.441 216 S N 2.893 119.050 115.700 0.762 0.000 2.578 216 S HA 0.791 5.254 4.470 -0.011 0.000 0.301 216 S C -1.841 173.202 174.600 0.739 0.000 1.091 216 S CA -0.327 58.264 58.200 0.651 0.000 1.032 216 S CB 1.166 64.714 63.200 0.580 0.000 1.064 216 S HN 0.321 nan 8.310 nan 0.000 0.508 217 Y N 1.225 121.780 120.300 0.425 0.000 2.442 217 Y HA 0.515 5.059 4.550 -0.011 0.000 0.330 217 Y C 0.436 176.459 175.900 0.206 0.000 1.100 217 Y CA 0.240 58.526 58.100 0.310 0.000 1.034 217 Y CB 1.268 39.845 38.460 0.196 0.000 1.285 217 Y HN 0.953 nan 8.280 nan 0.000 0.440 218 G N 2.817 111.243 108.800 -0.623 0.000 2.195 218 G HA2 -0.219 3.734 3.960 -0.011 0.000 0.246 218 G HA3 -0.219 3.734 3.960 -0.011 0.000 0.246 218 G C -0.191 174.648 174.900 -0.102 0.000 0.984 218 G CA 0.209 44.998 45.100 -0.519 0.000 0.633 218 G HN 1.105 nan 8.290 nan 0.000 0.525 219 S N -0.149 115.589 115.700 0.063 0.000 2.659 219 S HA 0.607 5.071 4.470 -0.011 0.000 0.312 219 S C 1.090 175.890 174.600 0.332 0.000 1.114 219 S CA 0.757 59.096 58.200 0.231 0.000 1.063 219 S CB 1.181 64.538 63.200 0.262 0.000 0.996 219 S HN 1.315 nan 8.310 nan 0.000 0.478 220 G N 3.025 111.994 108.800 0.282 0.000 3.088 220 G HA2 0.132 4.085 3.960 -0.011 0.000 0.212 220 G HA3 0.132 4.085 3.960 -0.011 0.000 0.212 220 G C -0.172 175.004 174.900 0.460 0.000 1.173 220 G CA 0.016 45.200 45.100 0.141 0.000 0.779 220 G HN 0.682 nan 8.290 nan 0.000 0.540 221 Y N 1.331 121.939 120.300 0.512 0.000 2.330 221 Y HA 0.450 4.994 4.550 -0.011 0.000 0.336 221 Y C 1.357 177.452 175.900 0.325 0.000 1.036 221 Y CA 0.069 58.479 58.100 0.517 0.000 1.125 221 Y CB 1.099 39.755 38.460 0.326 0.000 1.194 221 Y HN 0.338 nan 8.280 nan 0.000 0.469 222 G N 3.831 112.532 108.800 -0.165 0.000 2.672 222 G HA2 -0.441 3.513 3.960 -0.011 0.000 0.356 222 G HA3 -0.441 3.513 3.960 -0.011 0.000 0.356 222 G C 1.334 176.220 174.900 -0.023 0.000 1.312 222 G CA 0.675 45.730 45.100 -0.074 0.000 0.980 222 G HN 1.406 nan 8.290 nan 0.000 0.540 223 G N 0.002 108.841 108.800 0.066 0.000 2.499 223 G HA2 -0.214 3.740 3.960 -0.011 0.000 0.221 223 G HA3 -0.214 3.740 3.960 -0.011 0.000 0.221 223 G C 1.465 176.428 174.900 0.105 0.000 1.109 223 G CA 1.591 46.716 45.100 0.042 0.000 0.749 223 G HN 0.647 nan 8.290 nan 0.000 0.568 224 N N 0.597 119.405 118.700 0.180 0.000 2.457 224 N HA 0.113 4.846 4.740 -0.011 0.000 0.180 224 N C 1.895 177.481 175.510 0.126 0.000 1.050 224 N CA 1.041 54.208 53.050 0.194 0.000 0.906 224 N CB 0.108 38.746 38.487 0.253 0.000 0.968 224 N HN 0.408 nan 8.380 nan 0.000 0.445 225 A N 0.190 123.005 122.820 -0.008 0.000 1.964 225 A HA 0.320 4.633 4.320 -0.011 0.000 0.198 225 A C 0.753 178.113 177.584 -0.372 0.000 1.599 225 A CA -0.209 51.632 52.037 -0.327 0.000 0.968 225 A CB 0.019 18.945 19.000 -0.123 0.000 1.029 225 A HN 0.067 nan 8.150 nan 0.000 0.508 226 I N 2.523 122.945 120.570 -0.246 0.000 2.366 226 I HA 0.053 4.216 4.170 -0.011 0.000 0.302 226 I C 0.815 176.822 176.117 -0.183 0.000 1.194 226 I CA 0.141 61.273 61.300 -0.281 0.000 1.667 226 I CB 0.219 37.982 38.000 -0.394 0.000 1.501 226 I HN 0.299 nan 8.210 nan 0.000 0.776 227 L N 3.406 124.569 121.223 -0.101 0.000 2.456 227 L HA -0.162 4.171 4.340 -0.011 0.000 0.224 227 L C 2.546 179.494 176.870 0.131 0.000 1.148 227 L CA 0.744 55.625 54.840 0.069 0.000 0.825 227 L CB -0.519 41.652 42.059 0.188 0.000 0.937 227 L HN 0.715 nan 8.230 nan 0.000 0.450 228 A N 0.088 122.878 122.820 -0.050 0.000 1.898 228 A HA -0.204 4.109 4.320 -0.011 0.000 0.216 228 A C 2.269 179.847 177.584 -0.010 0.000 1.181 228 A CA 1.377 53.386 52.037 -0.046 0.000 0.620 228 A CB -0.289 18.459 19.000 -0.420 0.000 0.819 228 A HN 0.137 nan 8.150 nan 0.000 0.442 229 K N -0.062 120.260 120.400 -0.130 0.000 1.981 229 K HA -0.179 4.134 4.320 -0.011 0.000 0.228 229 K C 1.621 178.164 176.600 -0.095 0.000 1.050 229 K CA 2.158 58.347 56.287 -0.164 0.000 1.001 229 K CB -0.174 32.152 32.500 -0.291 0.000 0.738 229 K HN 0.332 nan 8.250 nan 0.000 0.447 230 K N -1.485 118.872 120.400 -0.072 0.000 2.387 230 K HA 0.158 4.472 4.320 -0.011 0.000 0.197 230 K C 2.435 179.075 176.600 0.065 0.000 1.127 230 K CA 0.663 56.865 56.287 -0.142 0.000 0.950 230 K CB -0.535 31.839 32.500 -0.210 0.000 1.017 230 K HN 0.184 nan 8.250 nan 0.000 0.519 231 C N 0.631 120.019 119.300 0.146 0.000 2.446 231 C HA -0.030 4.423 4.460 -0.011 0.000 0.277 231 C C 2.517 177.667 174.990 0.267 0.000 1.275 231 C CA 0.340 59.479 59.018 0.201 0.000 1.727 231 C CB -0.709 27.155 27.740 0.207 0.000 2.010 231 C HN 0.438 nan 8.230 nan 0.000 0.486 232 Y N 1.192 121.609 120.300 0.196 0.000 2.190 232 Y HA 0.127 4.670 4.550 -0.011 0.000 0.290 232 Y C 2.604 178.715 175.900 0.351 0.000 1.115 232 Y CA 0.980 59.252 58.100 0.287 0.000 1.107 232 Y CB -0.361 38.316 38.460 0.363 0.000 1.033 232 Y HN 0.139 nan 8.280 nan 0.000 0.502 233 A N -0.190 123.007 122.820 0.629 0.000 2.125 233 A HA -0.063 4.250 4.320 -0.011 0.000 0.219 233 A C 1.806 179.763 177.584 0.623 0.000 1.156 233 A CA 1.446 53.880 52.037 0.661 0.000 0.671 233 A CB -0.521 18.627 19.000 0.246 0.000 0.794 233 A HN 0.592 nan 8.150 nan 0.000 0.459 234 L N -2.985 118.447 121.223 0.348 0.000 2.638 234 L HA 0.155 4.488 4.340 -0.011 0.000 0.195 234 L C 2.647 179.653 176.870 0.226 0.000 1.065 234 L CA 0.122 55.108 54.840 0.243 0.000 0.859 234 L CB -0.199 41.860 42.059 -0.000 0.000 1.269 234 L HN 0.196 nan 8.230 nan 0.000 0.484 235 R N 0.600 121.226 120.500 0.209 0.000 2.055 235 R HA -0.037 4.296 4.340 -0.011 0.000 0.226 235 R C 2.246 178.632 176.300 0.143 0.000 1.135 235 R CA 1.718 57.926 56.100 0.180 0.000 0.959 235 R CB -0.358 30.047 30.300 0.175 0.000 0.854 235 R HN 0.327 nan 8.270 nan 0.000 0.431 236 I N -1.047 119.592 120.570 0.115 0.000 2.133 236 I HA -0.045 4.118 4.170 -0.011 0.000 0.238 236 I C 2.512 178.640 176.117 0.017 0.000 1.074 236 I CA 1.596 62.912 61.300 0.026 0.000 1.342 236 I CB -0.781 37.159 38.000 -0.099 0.000 1.053 236 I HN -0.030 nan 8.210 nan 0.000 0.404 237 A N 1.927 124.827 122.820 0.133 0.000 1.954 237 A HA -0.338 3.975 4.320 -0.011 0.000 0.222 237 A C 2.581 180.005 177.584 -0.267 0.000 1.199 237 A CA 3.511 55.550 52.037 0.003 0.000 0.657 237 A CB -1.571 17.546 19.000 0.195 0.000 0.823 237 A HN 0.771 nan 8.150 nan 0.000 0.463 238 S N -0.625 115.046 115.700 -0.048 0.000 2.383 238 S HA -0.143 4.320 4.470 -0.011 0.000 0.229 238 S C 1.748 176.308 174.600 -0.067 0.000 1.030 238 S CA 1.587 59.790 58.200 0.004 0.000 1.002 238 S CB -1.051 62.303 63.200 0.256 0.000 0.829 238 S HN 0.348 nan 8.310 nan 0.000 0.467 239 V N 2.416 122.289 119.914 -0.068 0.000 2.343 239 V HA -0.176 3.938 4.120 -0.011 0.000 0.247 239 V C 2.686 178.586 176.094 -0.324 0.000 1.051 239 V CA 2.261 64.421 62.300 -0.234 0.000 1.036 239 V CB -0.864 30.894 31.823 -0.109 0.000 0.654 239 V HN 0.513 nan 8.190 nan 0.000 0.451 240 M N 0.148 119.571 119.600 -0.294 0.000 2.086 240 M HA -0.150 4.324 4.480 -0.011 0.000 0.261 240 M C 2.411 178.326 176.300 -0.641 0.000 1.067 240 M CA 2.234 57.381 55.300 -0.256 0.000 1.116 240 M CB -0.686 31.918 32.600 0.007 0.000 1.348 240 M HN 0.371 nan 8.290 nan 0.000 0.407 241 A N 0.156 122.193 122.820 -1.305 0.000 1.972 241 A HA -0.181 4.132 4.320 -0.011 0.000 0.219 241 A C 2.137 179.243 177.584 -0.797 0.000 1.169 241 A CA 1.834 52.755 52.037 -1.859 0.000 0.635 241 A CB -0.563 17.450 19.000 -1.645 0.000 0.810 241 A HN 0.366 nan 8.150 nan 0.000 0.446 242 R N 0.292 120.474 120.500 -0.530 0.000 2.062 242 R HA -0.054 4.279 4.340 -0.011 0.000 0.229 242 R C 1.856 177.977 176.300 -0.299 0.000 1.128 242 R CA 2.043 57.905 56.100 -0.397 0.000 0.960 242 R CB -0.574 29.309 30.300 -0.694 0.000 0.855 242 R HN 0.631 nan 8.270 nan 0.000 0.432 243 E N -0.253 119.775 120.200 -0.287 0.000 2.150 243 E HA -0.159 4.185 4.350 -0.011 0.000 0.193 243 E C 1.403 177.949 176.600 -0.090 0.000 0.985 243 E CA 1.507 57.807 56.400 -0.167 0.000 0.814 243 E CB 0.080 29.700 29.700 -0.134 0.000 0.752 243 E HN 0.481 nan 8.360 nan 0.000 0.466 244 E N -1.143 119.007 120.200 -0.083 0.000 2.476 244 E HA 0.138 4.482 4.350 -0.011 0.000 0.199 244 E C 0.550 177.225 176.600 0.125 0.000 1.021 244 E CA 0.306 56.760 56.400 0.090 0.000 0.907 244 E CB 1.246 31.163 29.700 0.362 0.000 0.974 244 E HN 0.262 nan 8.360 nan 0.000 0.489 245 G N 1.396 110.199 108.800 0.006 0.000 2.164 245 G HA2 -0.173 3.781 3.960 -0.011 0.000 0.212 245 G HA3 -0.173 3.781 3.960 -0.011 0.000 0.212 245 G C -0.221 174.788 174.900 0.182 0.000 1.031 245 G CA 0.236 45.373 45.100 0.062 0.000 0.730 245 G HN 0.221 nan 8.290 nan 0.000 0.501 246 W N -1.926 119.342 121.300 -0.053 0.000 3.878 246 W HA 0.857 5.512 4.660 -0.008 0.000 0.372 246 W C -0.339 176.152 176.519 -0.046 0.000 1.166 246 W CA -1.601 55.715 57.345 -0.049 0.000 0.923 246 W CB 0.693 30.128 29.460 -0.041 0.000 1.827 246 W HN 0.135 nan 8.180 nan 0.000 0.625 247 M N 1.496 121.211 119.600 0.192 0.000 2.224 247 M HA 0.519 4.992 4.480 -0.011 0.000 0.281 247 M C -0.832 175.599 176.300 0.219 0.000 1.025 247 M CA -0.496 54.837 55.300 0.055 0.000 0.954 247 M CB 2.350 34.965 32.600 0.025 0.000 1.639 247 M HN 0.437 nan 8.290 nan 0.000 0.461 248 A N 3.129 125.995 122.820 0.077 0.000 2.271 248 A HA 0.845 5.159 4.320 -0.011 0.000 0.317 248 A C -0.629 177.214 177.584 0.431 0.000 1.245 248 A CA -0.413 51.792 52.037 0.279 0.000 0.857 248 A CB 0.793 19.798 19.000 0.009 0.000 1.175 248 A HN 0.738 nan 8.150 nan 0.000 0.512 249 E N 0.564 121.075 120.200 0.519 0.000 2.416 249 E HA 0.212 4.556 4.350 -0.011 0.000 0.273 249 E C -1.322 175.566 176.600 0.480 0.000 0.935 249 E CA -0.665 56.041 56.400 0.510 0.000 0.784 249 E CB 1.402 31.407 29.700 0.508 0.000 1.301 249 E HN 0.659 nan 8.360 nan 0.000 0.454 250 H N 1.064 120.335 119.070 0.335 0.000 2.498 250 H HA 0.398 4.947 4.556 -0.011 0.000 0.239 250 H C -0.778 174.676 175.328 0.210 0.000 1.586 250 H CA -0.035 56.164 56.048 0.251 0.000 1.164 250 H CB -0.540 29.399 29.762 0.296 0.000 1.597 250 H HN 0.222 nan 8.280 nan 0.000 0.516 251 M N 2.291 122.025 119.600 0.223 0.000 2.364 251 M HA 0.228 4.701 4.480 -0.011 0.000 0.334 251 M C -0.538 175.793 176.300 0.051 0.000 1.107 251 M CA -1.492 53.859 55.300 0.086 0.000 0.988 251 M CB 2.155 34.838 32.600 0.138 0.000 1.673 251 M HN 0.284 nan 8.290 nan 0.000 0.441 252 L N 2.224 123.426 121.223 -0.036 0.000 2.397 252 L HA 0.617 4.950 4.340 -0.011 0.000 0.271 252 L C -1.070 175.819 176.870 0.031 0.000 1.148 252 L CA 0.179 55.017 54.840 -0.002 0.000 0.825 252 L CB 0.062 42.091 42.059 -0.050 0.000 1.117 252 L HN 0.539 nan 8.230 nan 0.000 0.456 253 I N 4.426 125.045 120.570 0.081 0.000 2.382 253 I HA 0.500 4.664 4.170 -0.011 0.000 0.286 253 I C -0.615 175.578 176.117 0.127 0.000 1.002 253 I CA -0.514 60.852 61.300 0.110 0.000 1.135 253 I CB 1.597 39.676 38.000 0.131 0.000 1.288 253 I HN 0.599 nan 8.210 nan 0.000 0.448 254 L N 6.900 128.195 121.223 0.121 0.000 2.346 254 L HA 0.607 4.940 4.340 -0.011 0.000 0.274 254 L C -0.605 176.326 176.870 0.101 0.000 1.007 254 L CA -0.376 54.528 54.840 0.105 0.000 0.818 254 L CB 1.623 43.726 42.059 0.075 0.000 1.284 254 L HN 0.649 nan 8.230 nan 0.000 0.424 255 K N 5.396 125.826 120.400 0.050 0.000 2.323 255 K HA 0.544 4.858 4.320 -0.011 0.000 0.259 255 K C -2.014 174.555 176.600 -0.052 0.000 0.947 255 K CA -0.675 55.523 56.287 -0.149 0.000 0.819 255 K CB 1.247 33.631 32.500 -0.193 0.000 1.109 255 K HN 0.653 nan 8.250 nan 0.000 0.429 256 L N 6.662 127.877 121.223 -0.014 0.000 2.325 256 L HA 0.498 4.832 4.340 -0.011 0.000 0.281 256 L C -0.972 176.001 176.870 0.172 0.000 1.004 256 L CA -0.827 54.121 54.840 0.180 0.000 0.823 256 L CB 1.465 43.715 42.059 0.318 0.000 1.236 256 L HN 0.761 nan 8.230 nan 0.000 0.415 257 I N 3.971 124.604 120.570 0.105 0.000 2.406 257 I HA 0.305 4.468 4.170 -0.011 0.000 0.290 257 I C 0.120 176.079 176.117 -0.264 0.000 0.999 257 I CA -0.703 60.553 61.300 -0.073 0.000 1.124 257 I CB 1.655 39.603 38.000 -0.085 0.000 1.289 257 I HN 0.576 nan 8.210 nan 0.000 0.441 258 N N 6.788 125.150 118.700 -0.564 0.000 2.418 258 N HA 0.427 5.160 4.740 -0.011 0.000 0.283 258 N C -2.245 172.800 175.510 -0.775 0.000 1.267 258 N CA -1.974 50.311 53.050 -1.275 0.000 0.975 258 N CB -0.316 37.516 38.487 -1.090 0.000 1.167 258 N HN 0.143 nan 8.380 nan 0.000 0.581 259 P HA -0.097 nan 4.420 nan 0.000 0.216 259 P C 0.624 177.778 177.300 -0.243 0.000 1.153 259 P CA 1.384 64.273 63.100 -0.352 0.000 0.848 259 P CB 0.054 31.613 31.700 -0.235 0.000 0.787 260 E N -0.786 119.270 120.200 -0.239 0.000 2.331 260 E HA -0.085 4.259 4.350 -0.011 0.000 0.199 260 E C 1.697 178.196 176.600 -0.169 0.000 1.008 260 E CA 1.306 57.607 56.400 -0.165 0.000 0.843 260 E CB -1.240 28.376 29.700 -0.139 0.000 0.761 260 E HN 0.364 nan 8.360 nan 0.000 0.507 261 G N 1.297 109.966 108.800 -0.218 0.000 2.157 261 G HA2 -0.347 3.606 3.960 -0.011 0.000 0.248 261 G HA3 -0.347 3.606 3.960 -0.011 0.000 0.248 261 G C 0.259 175.031 174.900 -0.213 0.000 0.979 261 G CA 0.354 45.341 45.100 -0.189 0.000 0.650 261 G HN 0.337 nan 8.290 nan 0.000 0.529 262 K N 0.855 121.091 120.400 -0.273 0.000 2.401 262 K HA 0.579 4.892 4.320 -0.011 0.000 0.278 262 K C 0.688 176.998 176.600 -0.484 0.000 1.018 262 K CA 0.354 56.412 56.287 -0.382 0.000 0.981 262 K CB 0.394 32.605 32.500 -0.482 0.000 0.933 262 K HN 0.578 nan 8.250 nan 0.000 0.477 263 A N 4.367 126.924 122.820 -0.438 0.000 2.305 263 A HA 0.473 4.787 4.320 -0.011 0.000 0.322 263 A C -1.491 175.791 177.584 -0.503 0.000 1.187 263 A CA -0.492 51.323 52.037 -0.371 0.000 0.825 263 A CB 0.307 19.199 19.000 -0.181 0.000 1.164 263 A HN 0.704 nan 8.150 nan 0.000 0.498 264 Y N 0.888 121.107 120.300 -0.134 0.000 2.499 264 Y HA 0.519 5.063 4.550 -0.011 0.000 0.347 264 Y C 0.261 175.997 175.900 -0.273 0.000 0.987 264 Y CA -0.627 57.432 58.100 -0.067 0.000 1.044 264 Y CB 2.087 40.552 38.460 0.008 0.000 1.245 264 Y HN 0.664 nan 8.280 nan 0.000 0.461 265 H N 3.354 122.528 119.070 0.173 0.000 2.538 265 H HA 0.532 5.081 4.556 -0.011 0.000 0.353 265 H C -1.177 174.203 175.328 0.087 0.000 1.109 265 H CA -0.721 55.388 56.048 0.102 0.000 1.192 265 H CB 2.535 32.321 29.762 0.039 0.000 1.555 265 H HN 0.537 nan 8.280 nan 0.000 0.518 266 I N 2.295 122.963 120.570 0.162 0.000 2.420 266 I HA 0.278 4.442 4.170 -0.011 0.000 0.282 266 I C 0.297 176.460 176.117 0.076 0.000 1.019 266 I CA -0.676 60.682 61.300 0.096 0.000 1.130 266 I CB 1.439 39.469 38.000 0.049 0.000 1.262 266 I HN 0.551 nan 8.210 nan 0.000 0.454 267 A N 5.368 128.231 122.820 0.072 0.000 2.440 267 A HA 0.758 5.072 4.320 -0.011 0.000 0.251 267 A C 0.071 177.618 177.584 -0.062 0.000 1.089 267 A CA -0.110 51.948 52.037 0.035 0.000 0.779 267 A CB 0.357 19.406 19.000 0.083 0.000 1.022 267 A HN 0.811 nan 8.150 nan 0.000 0.492 268 A N 1.712 124.431 122.820 -0.169 0.000 2.381 268 A HA 0.724 5.037 4.320 -0.011 0.000 0.299 268 A C -0.187 177.122 177.584 -0.458 0.000 1.049 268 A CA 0.145 51.946 52.037 -0.393 0.000 0.715 268 A CB 1.202 19.822 19.000 -0.633 0.000 1.222 268 A HN 2.174 nan 8.150 nan 0.000 0.428 269 A N 2.647 125.290 122.820 -0.294 0.000 2.273 269 A HA 0.759 5.072 4.320 -0.011 0.000 0.320 269 A C -0.880 176.842 177.584 0.231 0.000 1.358 269 A CA -0.242 51.791 52.037 -0.006 0.000 0.910 269 A CB -0.125 19.050 19.000 0.293 0.000 1.159 269 A HN 0.695 nan 8.150 nan 0.000 0.526 270 F N 2.781 122.761 119.950 0.049 0.000 2.540 270 F HA 0.365 4.886 4.527 -0.010 0.000 0.317 270 F C -1.696 174.111 175.800 0.012 0.000 1.104 270 F CA -2.415 55.601 58.000 0.027 0.000 0.913 270 F CB 2.838 41.858 39.000 0.034 0.000 1.170 270 F HN 0.401 nan 8.300 nan 0.000 0.450 271 P HA -0.084 nan 4.420 nan 0.000 0.218 271 P C -0.063 177.315 177.300 0.131 0.000 1.149 271 P CA 0.910 64.095 63.100 0.142 0.000 0.817 271 P CB 0.103 31.820 31.700 0.028 0.000 0.785 272 S N 0.553 116.314 115.700 0.103 0.000 2.544 272 S HA 0.239 4.702 4.470 -0.011 0.000 0.290 272 S C 0.649 175.316 174.600 0.113 0.000 1.276 272 S CA -0.308 57.924 58.200 0.054 0.000 1.075 272 S CB -0.066 63.133 63.200 -0.001 0.000 0.849 272 S HN 0.194 nan 8.310 nan 0.000 0.494 273 A N 2.807 125.673 122.820 0.078 0.000 2.438 273 A HA 0.405 4.719 4.320 -0.011 0.000 0.280 273 A C 1.416 179.043 177.584 0.072 0.000 1.160 273 A CA -0.176 51.910 52.037 0.081 0.000 0.821 273 A CB -1.524 17.504 19.000 0.047 0.000 1.101 273 A HN 2.049 nan 8.150 nan 0.000 0.515 274 C N -0.087 119.264 119.300 0.085 0.000 4.784 274 C HA -0.236 4.218 4.460 -0.011 0.000 0.261 274 C C 1.769 176.847 174.990 0.147 0.000 1.492 274 C CA 0.099 59.169 59.018 0.087 0.000 1.622 274 C CB -2.399 25.367 27.740 0.044 0.000 1.855 274 C HN 1.570 nan 8.230 nan 0.000 0.662 275 G N 1.255 110.166 108.800 0.185 0.000 2.433 275 G HA2 -0.104 3.849 3.960 -0.011 0.000 0.216 275 G HA3 -0.104 3.849 3.960 -0.011 0.000 0.216 275 G C 1.517 176.663 174.900 0.411 0.000 1.186 275 G CA 1.357 46.624 45.100 0.279 0.000 0.779 275 G HN 0.681 nan 8.290 nan 0.000 0.543 276 K N 0.118 120.750 120.400 0.386 0.000 2.020 276 K HA -0.107 4.206 4.320 -0.011 0.000 0.212 276 K C 2.704 179.391 176.600 0.144 0.000 1.050 276 K CA 1.765 58.199 56.287 0.245 0.000 0.929 276 K CB -1.088 31.465 32.500 0.089 0.000 0.714 276 K HN 0.269 nan 8.250 nan 0.000 0.443 277 T N 2.151 116.768 114.554 0.104 0.000 2.720 277 T HA -0.089 4.255 4.350 -0.011 0.000 0.268 277 T C 1.502 176.228 174.700 0.043 0.000 1.037 277 T CA 1.407 63.528 62.100 0.035 0.000 1.144 277 T CB -0.181 68.698 68.868 0.018 0.000 0.864 277 T HN 0.225 nan 8.240 nan 0.000 0.444 278 N N 0.814 119.578 118.700 0.108 0.000 2.409 278 N HA 0.068 4.802 4.740 -0.011 0.000 0.179 278 N C 1.530 177.104 175.510 0.106 0.000 1.032 278 N CA 0.331 53.448 53.050 0.112 0.000 0.898 278 N CB -0.228 38.369 38.487 0.183 0.000 0.971 278 N HN 0.262 nan 8.380 nan 0.000 0.441 279 L N 0.617 121.932 121.223 0.153 0.000 2.202 279 L HA 0.278 4.612 4.340 -0.011 0.000 0.205 279 L C 2.037 178.960 176.870 0.088 0.000 1.083 279 L CA 0.670 55.598 54.840 0.147 0.000 0.790 279 L CB -0.537 41.700 42.059 0.298 0.000 0.942 279 L HN 0.040 nan 8.230 nan 0.000 0.452 280 A N -0.263 122.596 122.820 0.064 0.000 1.940 280 A HA -0.192 4.121 4.320 -0.011 0.000 0.219 280 A C 1.971 179.564 177.584 0.015 0.000 1.176 280 A CA 2.172 54.231 52.037 0.036 0.000 0.631 280 A CB -0.539 18.476 19.000 0.025 0.000 0.814 280 A HN 0.503 nan 8.150 nan 0.000 0.446 281 M N -0.208 119.378 119.600 -0.024 0.000 2.560 281 M HA 0.323 4.796 4.480 -0.011 0.000 0.297 281 M C 0.188 176.481 176.300 -0.011 0.000 1.201 281 M CA -0.221 55.049 55.300 -0.050 0.000 0.973 281 M CB 0.404 32.919 32.600 -0.141 0.000 1.401 281 M HN 0.281 nan 8.290 nan 0.000 0.497 282 I N 1.615 122.196 120.570 0.018 0.000 2.932 282 I HA -0.052 4.112 4.170 -0.011 0.000 0.295 282 I C -0.214 175.917 176.117 0.023 0.000 1.227 282 I CA 1.380 62.694 61.300 0.022 0.000 1.429 282 I CB 0.952 38.968 38.000 0.026 0.000 1.339 282 I HN 0.144 nan 8.210 nan 0.000 0.589 283 T N 8.692 123.257 114.554 0.018 0.000 2.788 283 T HA 0.369 4.713 4.350 -0.011 0.000 0.296 283 T C -2.333 172.381 174.700 0.022 0.000 1.009 283 T CA -0.996 61.120 62.100 0.027 0.000 0.949 283 T CB 1.364 70.245 68.868 0.021 0.000 0.946 283 T HN 0.403 nan 8.240 nan 0.000 0.453 284 P HA 0.155 nan 4.420 nan 0.000 0.265 284 P C 0.584 177.901 177.300 0.028 0.000 1.193 284 P CA -0.002 63.119 63.100 0.036 0.000 0.765 284 P CB 0.542 32.316 31.700 0.122 0.000 0.823 285 T N 2.457 117.003 114.554 -0.014 0.000 3.086 285 T HA 0.190 4.534 4.350 -0.011 0.000 0.250 285 T C 0.455 175.152 174.700 -0.004 0.000 1.074 285 T CA 0.170 62.258 62.100 -0.020 0.000 0.988 285 T CB -0.235 68.596 68.868 -0.062 0.000 0.988 285 T HN 0.151 nan 8.240 nan 0.000 0.530 286 I N 3.114 123.695 120.570 0.019 0.000 2.354 286 I HA 0.414 4.577 4.170 -0.011 0.000 0.292 286 I C -2.439 173.789 176.117 0.185 0.000 0.989 286 I CA -3.931 57.407 61.300 0.063 0.000 1.188 286 I CB 1.286 39.265 38.000 -0.035 0.000 1.342 286 I HN -0.144 nan 8.210 nan 0.000 0.457 287 P HA 0.254 nan 4.420 nan 0.000 0.267 287 P C 0.822 178.233 177.300 0.185 0.000 1.205 287 P CA 0.483 63.667 63.100 0.139 0.000 0.765 287 P CB 0.623 32.379 31.700 0.093 0.000 0.828 288 G N 0.767 109.637 108.800 0.117 0.000 2.175 288 G HA2 -0.213 3.741 3.960 -0.011 0.000 0.244 288 G HA3 -0.213 3.741 3.960 -0.011 0.000 0.244 288 G C -0.584 174.294 174.900 -0.038 0.000 0.982 288 G CA -0.657 44.453 45.100 0.017 0.000 0.641 288 G HN 0.402 nan 8.290 nan 0.000 0.527 289 W N 1.629 122.937 121.300 0.013 0.000 2.478 289 W HA 0.643 5.297 4.660 -0.011 0.000 0.318 289 W C 0.771 177.298 176.519 0.012 0.000 1.062 289 W CA 0.282 57.638 57.345 0.017 0.000 1.210 289 W CB 1.653 31.126 29.460 0.021 0.000 1.325 289 W HN 0.376 nan 8.180 nan 0.000 0.496 290 T N 0.014 114.681 114.554 0.189 0.000 2.910 290 T HA 0.940 5.284 4.350 -0.011 0.000 0.287 290 T C -0.721 174.064 174.700 0.142 0.000 1.050 290 T CA -1.073 61.105 62.100 0.130 0.000 1.011 290 T CB 1.995 70.901 68.868 0.063 0.000 1.195 290 T HN 0.607 nan 8.240 nan 0.000 0.540 291 A N 0.519 123.401 122.820 0.102 0.000 2.520 291 A HA 0.727 5.040 4.320 -0.011 0.000 0.298 291 A C -1.137 176.489 177.584 0.069 0.000 1.051 291 A CA -0.887 51.204 52.037 0.090 0.000 0.690 291 A CB 1.707 20.764 19.000 0.095 0.000 1.281 291 A HN 0.791 nan 8.150 nan 0.000 0.402 292 Q N 0.056 119.896 119.800 0.066 0.000 2.387 292 Q HA 0.595 4.929 4.340 -0.011 0.000 0.273 292 Q C -1.047 175.013 176.000 0.100 0.000 1.089 292 Q CA -0.900 54.952 55.803 0.081 0.000 0.824 292 Q CB 2.870 31.659 28.738 0.086 0.000 1.367 292 Q HN 0.727 nan 8.270 nan 0.000 0.443 293 V N 2.732 122.717 119.914 0.119 0.000 2.465 293 V HA 0.182 4.295 4.120 -0.011 0.000 0.279 293 V C 0.119 176.316 176.094 0.172 0.000 1.045 293 V CA 0.139 62.528 62.300 0.148 0.000 0.938 293 V CB 1.303 33.224 31.823 0.164 0.000 0.986 293 V HN 0.777 nan 8.190 nan 0.000 0.467 294 V N 5.878 125.898 119.914 0.177 0.000 2.949 294 V HA 0.537 4.650 4.120 -0.011 0.000 0.245 294 V C 1.000 177.166 176.094 0.121 0.000 1.086 294 V CA 1.036 63.445 62.300 0.181 0.000 1.097 294 V CB 0.083 32.027 31.823 0.202 0.000 0.762 294 V HN 1.075 nan 8.190 nan 0.000 0.470 295 G N 0.366 109.257 108.800 0.151 0.000 2.547 295 G HA2 0.461 4.415 3.960 -0.011 0.000 0.291 295 G HA3 0.461 4.415 3.960 -0.011 0.000 0.291 295 G C -1.302 173.720 174.900 0.204 0.000 1.471 295 G CA 0.319 45.517 45.100 0.162 0.000 0.798 295 G HN 0.126 nan 8.290 nan 0.000 0.504 296 D N -1.256 119.298 120.400 0.257 0.000 2.501 296 D HA 0.257 4.890 4.640 -0.011 0.000 0.224 296 D C 0.356 176.724 176.300 0.114 0.000 1.202 296 D CA 0.032 54.126 54.000 0.157 0.000 0.829 296 D CB 1.388 42.260 40.800 0.121 0.000 1.023 296 D HN 0.348 nan 8.370 nan 0.000 0.499 297 D N -0.555 119.919 120.400 0.124 0.000 2.315 297 D HA 0.297 4.931 4.640 -0.011 0.000 0.272 297 D C -0.404 176.024 176.300 0.214 0.000 1.238 297 D CA 0.183 54.273 54.000 0.148 0.000 1.160 297 D CB 1.013 41.916 40.800 0.172 0.000 1.780 297 D HN 0.075 nan 8.370 nan 0.000 0.484 298 I N 1.057 121.722 120.570 0.158 0.000 2.647 298 I HA 0.704 4.868 4.170 -0.011 0.000 0.295 298 I C -1.310 174.888 176.117 0.136 0.000 1.078 298 I CA -1.126 60.284 61.300 0.182 0.000 1.048 298 I CB 2.372 40.439 38.000 0.113 0.000 1.239 298 I HN 0.070 nan 8.210 nan 0.000 0.421 299 A N 5.355 128.326 122.820 0.253 0.000 2.414 299 A HA 0.637 4.950 4.320 -0.011 0.000 0.286 299 A C -1.955 175.948 177.584 0.531 0.000 1.073 299 A CA -0.359 51.843 52.037 0.276 0.000 0.727 299 A CB 0.723 19.867 19.000 0.239 0.000 1.215 299 A HN 0.575 nan 8.150 nan 0.000 0.430 300 W N 2.723 124.171 121.300 0.246 0.000 2.335 300 W HA 0.647 5.299 4.660 -0.012 0.000 0.307 300 W C -0.922 175.748 176.519 0.252 0.000 1.117 300 W CA -0.845 56.702 57.345 0.338 0.000 1.228 300 W CB 1.093 30.727 29.460 0.290 0.000 1.240 300 W HN 0.430 nan 8.180 nan 0.000 0.468 301 L N 3.944 125.462 121.223 0.492 0.000 2.362 301 L HA 0.648 4.982 4.340 -0.011 0.000 0.271 301 L C -0.018 177.027 176.870 0.291 0.000 1.002 301 L CA -0.990 54.036 54.840 0.310 0.000 0.818 301 L CB 1.654 43.847 42.059 0.223 0.000 1.298 301 L HN 0.356 nan 8.230 nan 0.000 0.420 302 K N 1.086 121.606 120.400 0.200 0.000 2.509 302 K HA 0.700 5.013 4.320 -0.011 0.000 0.266 302 K C -1.535 175.126 176.600 0.102 0.000 0.987 302 K CA -0.957 55.420 56.287 0.149 0.000 0.868 302 K CB 1.821 34.387 32.500 0.110 0.000 1.421 302 K HN 0.293 nan 8.250 nan 0.000 0.444 303 L N 2.980 124.236 121.223 0.056 0.000 2.295 303 L HA 0.288 4.622 4.340 -0.011 0.000 0.288 303 L C -0.154 176.722 176.870 0.010 0.000 1.079 303 L CA 0.025 54.882 54.840 0.028 0.000 0.830 303 L CB 0.103 42.153 42.059 -0.015 0.000 1.200 303 L HN 0.594 nan 8.230 nan 0.000 0.438 304 R N 2.633 123.142 120.500 0.016 0.000 2.560 304 R HA 0.181 4.515 4.340 -0.011 0.000 0.270 304 R C -0.255 176.029 176.300 -0.027 0.000 1.074 304 R CA -0.690 55.351 56.100 -0.099 0.000 1.140 304 R CB 0.649 30.722 30.300 -0.378 0.000 1.073 304 R HN 0.337 nan 8.270 nan 0.000 0.527 305 E N 2.177 122.350 120.200 -0.045 0.000 1.964 305 E HA 0.025 4.369 4.350 -0.011 0.000 0.264 305 E C -0.350 176.255 176.600 0.009 0.000 1.120 305 E CA 0.165 56.558 56.400 -0.011 0.000 1.061 305 E CB -0.128 29.563 29.700 -0.015 0.000 1.190 305 E HN 0.535 nan 8.360 nan 0.000 0.459 306 D N 1.530 121.968 120.400 0.063 0.000 2.672 306 D HA 0.151 4.785 4.640 -0.011 0.000 0.321 306 D C 0.366 176.752 176.300 0.143 0.000 1.496 306 D CA 0.011 54.066 54.000 0.092 0.000 0.901 306 D CB -0.252 40.603 40.800 0.090 0.000 1.441 306 D HN 0.349 nan 8.370 nan 0.000 0.423 307 G N 0.200 109.106 108.800 0.176 0.000 2.324 307 G HA2 0.338 4.291 3.960 -0.011 0.000 0.293 307 G HA3 0.338 4.291 3.960 -0.011 0.000 0.293 307 G C -2.286 172.718 174.900 0.173 0.000 1.297 307 G CA -0.817 44.365 45.100 0.137 0.000 0.853 307 G HN 0.126 nan 8.290 nan 0.000 0.535 308 L N 0.325 121.577 121.223 0.049 0.000 2.292 308 L HA 0.799 5.132 4.340 -0.011 0.000 0.284 308 L C -1.100 175.798 176.870 0.047 0.000 1.065 308 L CA -1.143 53.733 54.840 0.061 0.000 0.806 308 L CB 0.378 42.423 42.059 -0.024 0.000 1.175 308 L HN 0.489 nan 8.230 nan 0.000 0.431 309 Y N 3.073 123.372 120.300 -0.001 0.000 2.429 309 Y HA 0.753 5.297 4.550 -0.010 0.000 0.342 309 Y C 0.185 176.106 175.900 0.035 0.000 1.004 309 Y CA -0.688 57.406 58.100 -0.009 0.000 1.075 309 Y CB 2.025 40.460 38.460 -0.042 0.000 1.214 309 Y HN 0.703 nan 8.280 nan 0.000 0.455 310 A N 2.430 125.327 122.820 0.127 0.000 2.350 310 A HA 0.837 5.151 4.320 -0.011 0.000 0.324 310 A C -1.394 176.268 177.584 0.129 0.000 1.118 310 A CA -0.652 51.475 52.037 0.151 0.000 0.783 310 A CB 0.958 20.032 19.000 0.123 0.000 1.236 310 A HN 0.514 nan 8.150 nan 0.000 0.457 311 V N 1.778 121.783 119.914 0.151 0.000 2.769 311 V HA 0.366 4.479 4.120 -0.011 0.000 0.312 311 V C -0.165 175.956 176.094 0.044 0.000 1.058 311 V CA -0.909 61.445 62.300 0.090 0.000 0.952 311 V CB 2.060 33.932 31.823 0.082 0.000 1.019 311 V HN 0.922 nan 8.190 nan 0.000 0.445 312 N N 4.697 123.400 118.700 0.005 0.000 2.420 312 N HA 0.311 5.044 4.740 -0.011 0.000 0.249 312 N C -1.489 173.889 175.510 -0.221 0.000 1.033 312 N CA -2.076 50.936 53.050 -0.063 0.000 0.944 312 N CB 1.561 40.066 38.487 0.032 0.000 1.113 312 N HN 0.324 nan 8.380 nan 0.000 0.502 313 P HA -0.026 nan 4.420 nan 0.000 0.242 313 P C -0.588 176.482 177.300 -0.384 0.000 1.197 313 P CA 0.780 63.450 63.100 -0.718 0.000 0.765 313 P CB 0.450 31.232 31.700 -1.530 0.000 0.936 314 E N -0.119 119.929 120.200 -0.253 0.000 2.222 314 E HA 0.198 4.541 4.350 -0.011 0.000 0.272 314 E C 0.267 176.789 176.600 -0.130 0.000 0.982 314 E CA -0.584 55.706 56.400 -0.183 0.000 0.842 314 E CB 0.689 30.291 29.700 -0.162 0.000 1.144 314 E HN -0.181 nan 8.360 nan 0.000 0.397 315 N N 0.124 118.745 118.700 -0.133 0.000 2.205 315 N HA 0.148 4.881 4.740 -0.011 0.000 0.201 315 N C -0.672 174.685 175.510 -0.255 0.000 1.128 315 N CA 0.018 53.005 53.050 -0.105 0.000 0.867 315 N CB 1.087 39.547 38.487 -0.045 0.000 0.996 315 N HN 0.521 nan 8.380 nan 0.000 0.503 316 G N -1.097 107.524 108.800 -0.300 0.000 2.690 316 G HA2 0.477 4.431 3.960 -0.011 0.000 0.291 316 G HA3 0.477 4.431 3.960 -0.011 0.000 0.291 316 G C -1.404 173.324 174.900 -0.286 0.000 1.403 316 G CA -0.718 44.179 45.100 -0.338 0.000 0.864 316 G HN 0.054 nan 8.290 nan 0.000 0.480 317 F N 0.253 120.202 119.950 -0.001 0.000 2.410 317 F HA 0.481 5.002 4.527 -0.010 0.000 0.348 317 F C -0.116 175.722 175.800 0.064 0.000 1.106 317 F CA -0.484 57.548 58.000 0.053 0.000 1.163 317 F CB 1.496 40.584 39.000 0.147 0.000 1.129 317 F HN 0.296 nan 8.300 nan 0.000 0.516 318 F N 3.406 123.352 119.950 -0.006 0.000 2.660 318 F HA 0.554 5.075 4.527 -0.011 0.000 0.352 318 F C -0.056 175.523 175.800 -0.368 0.000 1.257 318 F CA -0.551 57.334 58.000 -0.192 0.000 1.200 318 F CB 0.229 39.154 39.000 -0.125 0.000 1.473 318 F HN 0.393 nan 8.300 nan 0.000 0.561 319 G N 1.994 110.168 108.800 -1.044 0.000 2.410 319 G HA2 0.500 4.454 3.960 -0.011 0.000 0.330 319 G HA3 0.500 4.454 3.960 -0.011 0.000 0.330 319 G C -0.928 173.371 174.900 -1.002 0.000 1.142 319 G CA -0.793 43.691 45.100 -1.026 0.000 0.902 319 G HN 0.258 nan 8.290 nan 0.000 0.491 320 V N 1.713 121.326 119.914 -0.502 0.000 2.493 320 V HA 0.226 4.339 4.120 -0.011 0.000 0.292 320 V C 1.535 177.377 176.094 -0.419 0.000 1.016 320 V CA 0.520 62.590 62.300 -0.383 0.000 1.097 320 V CB 0.307 32.013 31.823 -0.196 0.000 0.947 320 V HN 0.979 nan 8.190 nan 0.000 0.479 321 A N 7.695 130.186 122.820 -0.548 0.000 1.840 321 A HA 0.130 4.443 4.320 -0.011 0.000 0.214 321 A C -1.123 175.825 177.584 -1.059 0.000 1.198 321 A CA 0.658 52.127 52.037 -0.946 0.000 0.608 321 A CB -1.289 16.922 19.000 -1.315 0.000 0.839 321 A HN 0.739 nan 8.150 nan 0.000 0.443 322 P HA 0.150 nan 4.420 nan 0.000 0.263 322 P C 0.908 178.135 177.300 -0.121 0.000 1.168 322 P CA 2.119 65.052 63.100 -0.278 0.000 0.759 322 P CB 0.170 31.773 31.700 -0.162 0.000 0.782 323 G N 1.698 110.517 108.800 0.032 0.000 2.241 323 G HA2 -0.230 3.723 3.960 -0.011 0.000 0.244 323 G HA3 -0.230 3.723 3.960 -0.011 0.000 0.244 323 G C 0.247 175.191 174.900 0.074 0.000 0.998 323 G CA 0.183 45.313 45.100 0.050 0.000 0.621 323 G HN 0.619 nan 8.290 nan 0.000 0.519 324 T N 2.060 116.684 114.554 0.117 0.000 2.834 324 T HA 0.513 4.856 4.350 -0.011 0.000 0.298 324 T C 0.257 175.083 174.700 0.210 0.000 0.966 324 T CA 0.848 63.040 62.100 0.153 0.000 1.141 324 T CB 0.913 69.843 68.868 0.103 0.000 0.905 324 T HN 1.248 nan 8.240 nan 0.000 0.535 325 N N 0.701 119.395 118.700 -0.010 0.000 3.227 325 N HA 0.156 4.889 4.740 -0.011 0.000 0.241 325 N C -0.437 174.970 175.510 -0.172 0.000 1.480 325 N CA -0.928 52.068 53.050 -0.091 0.000 0.886 325 N CB 0.178 38.642 38.487 -0.038 0.000 1.406 325 N HN 0.248 nan 8.380 nan 0.000 0.514 326 Y N -0.816 119.442 120.300 -0.070 0.000 2.509 326 Y HA 0.214 4.757 4.550 -0.011 0.000 0.293 326 Y C 2.196 178.034 175.900 -0.103 0.000 1.133 326 Y CA 1.337 59.392 58.100 -0.075 0.000 1.283 326 Y CB -0.171 38.250 38.460 -0.064 0.000 1.001 326 Y HN 0.780 nan 8.280 nan 0.000 0.555 327 A N -0.897 121.909 122.820 -0.022 0.000 1.935 327 A HA -0.087 4.226 4.320 -0.011 0.000 0.214 327 A C 2.278 179.700 177.584 -0.270 0.000 1.178 327 A CA 1.500 53.454 52.037 -0.138 0.000 0.640 327 A CB -0.617 18.277 19.000 -0.176 0.000 0.825 327 A HN 0.379 nan 8.150 nan 0.000 0.447 328 S N -1.747 113.777 115.700 -0.293 0.000 2.497 328 S HA 0.128 4.592 4.470 -0.011 0.000 0.221 328 S C 0.479 175.012 174.600 -0.113 0.000 1.037 328 S CA 0.464 58.428 58.200 -0.393 0.000 0.920 328 S CB 0.041 62.990 63.200 -0.417 0.000 0.800 328 S HN 0.308 nan 8.310 nan 0.000 0.505 329 N N 1.388 120.024 118.700 -0.107 0.000 2.722 329 N HA 0.369 5.102 4.740 -0.011 0.000 0.242 329 N C -2.726 172.689 175.510 -0.159 0.000 1.398 329 N CA -1.535 51.461 53.050 -0.090 0.000 0.755 329 N CB 1.778 40.226 38.487 -0.065 0.000 1.268 329 N HN 0.087 nan 8.380 nan 0.000 0.522 330 P HA -0.028 nan 4.420 nan 0.000 0.219 330 P C 1.767 178.989 177.300 -0.130 0.000 1.150 330 P CA 0.374 63.400 63.100 -0.123 0.000 0.814 330 P CB 0.833 32.579 31.700 0.077 0.000 0.787 331 I N 0.429 120.946 120.570 -0.088 0.000 2.163 331 I HA -0.209 3.955 4.170 -0.011 0.000 0.243 331 I C 2.379 178.403 176.117 -0.153 0.000 1.085 331 I CA 1.648 62.897 61.300 -0.086 0.000 1.347 331 I CB -1.718 36.245 38.000 -0.060 0.000 1.044 331 I HN -0.059 nan 8.210 nan 0.000 0.408 332 A N 0.702 123.392 122.820 -0.216 0.000 1.902 332 A HA -0.205 4.108 4.320 -0.011 0.000 0.217 332 A C 2.288 179.679 177.584 -0.321 0.000 1.181 332 A CA 1.545 53.398 52.037 -0.307 0.000 0.623 332 A CB -0.413 18.404 19.000 -0.304 0.000 0.818 332 A HN 0.286 nan 8.150 nan 0.000 0.443 333 M N -0.198 119.197 119.600 -0.342 0.000 2.086 333 M HA -0.117 4.356 4.480 -0.011 0.000 0.261 333 M C 1.885 178.064 176.300 -0.201 0.000 1.067 333 M CA 1.624 56.683 55.300 -0.401 0.000 1.116 333 M CB -1.329 30.647 32.600 -1.041 0.000 1.348 333 M HN 0.380 nan 8.290 nan 0.000 0.407 334 K N -0.279 120.052 120.400 -0.115 0.000 2.209 334 K HA -0.087 4.226 4.320 -0.011 0.000 0.204 334 K C 1.934 178.536 176.600 0.004 0.000 1.048 334 K CA 1.529 57.831 56.287 0.026 0.000 0.940 334 K CB -0.278 32.260 32.500 0.063 0.000 0.729 334 K HN 0.359 nan 8.250 nan 0.000 0.451 335 T N 1.052 115.582 114.554 -0.040 0.000 2.867 335 T HA -0.040 4.304 4.350 -0.011 0.000 0.268 335 T C 1.562 176.257 174.700 -0.009 0.000 1.057 335 T CA 1.039 63.133 62.100 -0.010 0.000 1.136 335 T CB 0.018 68.882 68.868 -0.008 0.000 0.874 335 T HN 0.189 nan 8.240 nan 0.000 0.466 336 M N 0.303 119.882 119.600 -0.036 0.000 2.428 336 M HA 0.207 4.681 4.480 -0.011 0.000 0.239 336 M C 1.866 178.219 176.300 0.088 0.000 1.121 336 M CA 0.265 55.581 55.300 0.027 0.000 1.019 336 M CB 0.074 32.708 32.600 0.056 0.000 1.485 336 M HN 0.210 nan 8.290 nan 0.000 0.484 337 E N 1.200 121.439 120.200 0.065 0.000 2.051 337 E HA -0.170 4.173 4.350 -0.011 0.000 0.192 337 E C -0.751 175.891 176.600 0.070 0.000 0.991 337 E CA 1.258 57.706 56.400 0.081 0.000 0.799 337 E CB -0.829 28.923 29.700 0.087 0.000 0.748 337 E HN 0.384 nan 8.360 nan 0.000 0.449 338 P HA -0.019 nan 4.420 nan 0.000 0.225 338 P C 0.434 177.766 177.300 0.053 0.000 1.148 338 P CA 1.379 64.506 63.100 0.045 0.000 0.779 338 P CB 0.198 31.916 31.700 0.031 0.000 0.780 339 G N -0.229 108.614 108.800 0.071 0.000 2.466 339 G HA2 -0.229 3.724 3.960 -0.011 0.000 0.218 339 G HA3 -0.229 3.724 3.960 -0.011 0.000 0.218 339 G C -0.537 174.400 174.900 0.061 0.000 1.237 339 G CA -0.186 44.969 45.100 0.093 0.000 0.954 339 G HN 0.203 nan 8.290 nan 0.000 0.580 340 N N -0.482 118.262 118.700 0.074 0.000 2.754 340 N HA -0.156 4.577 4.740 -0.011 0.000 0.248 340 N C -0.001 175.541 175.510 0.054 0.000 1.093 340 N CA 1.361 54.445 53.050 0.056 0.000 0.699 340 N CB -1.485 36.970 38.487 -0.053 0.000 1.016 340 N HN 1.464 nan 8.380 nan 0.000 0.552 341 T N -2.309 112.277 114.554 0.053 0.000 2.841 341 T HA 0.610 4.953 4.350 -0.011 0.000 0.283 341 T C -0.356 174.281 174.700 -0.105 0.000 1.000 341 T CA -0.914 61.104 62.100 -0.137 0.000 0.977 341 T CB 2.222 70.810 68.868 -0.466 0.000 0.979 341 T HN 0.062 nan 8.240 nan 0.000 0.446 342 L N 3.711 124.921 121.223 -0.020 0.000 2.283 342 L HA 0.499 4.832 4.340 -0.011 0.000 0.287 342 L C -0.970 175.845 176.870 -0.092 0.000 1.073 342 L CA -0.476 54.420 54.840 0.093 0.000 0.822 342 L CB -0.513 41.634 42.059 0.147 0.000 1.186 342 L HN 0.640 nan 8.230 nan 0.000 0.436 343 F N 1.773 121.875 119.950 0.253 0.000 2.399 343 F HA 0.599 5.120 4.527 -0.010 0.000 0.334 343 F C 0.728 176.638 175.800 0.182 0.000 1.097 343 F CA -0.585 57.528 58.000 0.187 0.000 1.076 343 F CB 1.473 40.604 39.000 0.218 0.000 1.162 343 F HN 0.250 nan 8.300 nan 0.000 0.495 344 T N 2.810 117.524 114.554 0.268 0.000 2.881 344 T HA 0.243 4.586 4.350 -0.011 0.000 0.291 344 T C -0.367 174.396 174.700 0.105 0.000 0.990 344 T CA -0.894 61.315 62.100 0.181 0.000 0.976 344 T CB 0.809 69.745 68.868 0.114 0.000 0.970 344 T HN 0.620 nan 8.240 nan 0.000 0.438 345 N N 0.284 119.057 118.700 0.121 0.000 2.714 345 N HA -0.144 4.589 4.740 -0.011 0.000 0.250 345 N C 0.287 175.853 175.510 0.093 0.000 1.117 345 N CA 1.074 54.188 53.050 0.105 0.000 0.719 345 N CB -1.905 36.466 38.487 -0.194 0.000 1.081 345 N HN 0.686 nan 8.380 nan 0.000 0.557 346 V N -3.362 116.650 119.914 0.164 0.000 3.295 346 V HA 0.884 4.998 4.120 -0.011 0.000 0.308 346 V C 1.064 177.286 176.094 0.212 0.000 1.068 346 V CA -0.473 61.943 62.300 0.193 0.000 1.062 346 V CB 1.371 33.350 31.823 0.261 0.000 1.162 346 V HN 0.302 nan 8.190 nan 0.000 0.456 347 A N 1.271 124.210 122.820 0.199 0.000 2.272 347 A HA 0.749 5.062 4.320 -0.011 0.000 0.275 347 A C -0.496 177.146 177.584 0.096 0.000 1.096 347 A CA -0.509 51.608 52.037 0.133 0.000 0.822 347 A CB 0.697 19.750 19.000 0.087 0.000 1.088 347 A HN 1.250 nan 8.150 nan 0.000 0.495 348 L N 0.726 121.980 121.223 0.051 0.000 2.333 348 L HA 0.547 4.880 4.340 -0.011 0.000 0.280 348 L C 0.633 177.509 176.870 0.009 0.000 1.004 348 L CA 0.187 55.047 54.840 0.034 0.000 0.820 348 L CB 1.573 43.663 42.059 0.051 0.000 1.247 348 L HN 0.910 nan 8.230 nan 0.000 0.416 349 T N -0.332 114.227 114.554 0.007 0.000 2.874 349 T HA 0.269 4.612 4.350 -0.011 0.000 0.281 349 T C 0.678 175.403 174.700 0.042 0.000 0.994 349 T CA -0.480 61.623 62.100 0.004 0.000 1.015 349 T CB 0.751 69.611 68.868 -0.013 0.000 1.028 349 T HN 0.604 nan 8.240 nan 0.000 0.523 350 D N 0.952 121.393 120.400 0.069 0.000 2.144 350 D HA -0.126 4.508 4.640 -0.011 0.000 0.199 350 D C 1.693 178.015 176.300 0.036 0.000 0.984 350 D CA 1.311 55.355 54.000 0.074 0.000 0.834 350 D CB -0.361 40.482 40.800 0.072 0.000 0.955 350 D HN 0.831 nan 8.370 nan 0.000 0.465 351 D N 0.504 120.915 120.400 0.019 0.000 2.411 351 D HA -0.088 4.546 4.640 -0.011 0.000 0.226 351 D C 1.457 177.765 176.300 0.012 0.000 0.988 351 D CA 1.026 55.032 54.000 0.010 0.000 0.938 351 D CB -0.760 40.040 40.800 0.000 0.000 0.883 351 D HN 0.286 nan 8.370 nan 0.000 0.525 352 G N 0.724 109.536 108.800 0.020 0.000 2.225 352 G HA2 -0.297 3.657 3.960 -0.011 0.000 0.267 352 G HA3 -0.297 3.657 3.960 -0.011 0.000 0.267 352 G C -0.054 174.849 174.900 0.005 0.000 1.024 352 G CA 0.539 45.651 45.100 0.021 0.000 0.784 352 G HN 0.531 nan 8.290 nan 0.000 0.507 353 D N -0.453 119.940 120.400 -0.011 0.000 2.567 353 D HA 0.688 5.321 4.640 -0.011 0.000 0.275 353 D C 0.827 177.080 176.300 -0.080 0.000 1.195 353 D CA -0.223 53.749 54.000 -0.046 0.000 1.087 353 D CB 0.856 41.626 40.800 -0.050 0.000 1.165 353 D HN 0.459 nan 8.370 nan 0.000 0.609 354 I N -2.111 118.357 120.570 -0.169 0.000 2.740 354 I HA 0.681 4.844 4.170 -0.011 0.000 0.303 354 I C -1.008 175.016 176.117 -0.156 0.000 1.044 354 I CA -0.984 60.201 61.300 -0.192 0.000 1.064 354 I CB 1.608 39.340 38.000 -0.448 0.000 1.249 354 I HN 0.396 nan 8.210 nan 0.000 0.433 355 W N 4.754 125.892 121.300 -0.271 0.000 3.029 355 W HA 0.796 5.450 4.660 -0.011 0.000 0.339 355 W C -2.276 174.170 176.519 -0.121 0.000 1.198 355 W CA -0.340 56.776 57.345 -0.381 0.000 1.148 355 W CB 1.839 31.130 29.460 -0.283 0.000 1.451 355 W HN 0.797 nan 8.180 nan 0.000 0.564 356 W N 2.017 122.653 121.300 -1.106 0.000 3.146 356 W HA 0.606 5.259 4.660 -0.011 0.000 0.319 356 W C -1.262 174.118 176.519 -1.899 0.000 1.258 356 W CA -1.296 55.380 57.345 -1.116 0.000 1.189 356 W CB 0.260 29.412 29.460 -0.512 0.000 1.412 356 W HN 0.301 nan 8.180 nan 0.000 0.567 357 E N 1.121 120.813 120.200 -0.846 0.000 2.480 357 E HA 0.381 4.725 4.350 -0.011 0.000 0.258 357 E C 1.103 177.596 176.600 -0.178 0.000 0.984 357 E CA 2.601 58.744 56.400 -0.427 0.000 0.930 357 E CB 0.353 30.027 29.700 -0.044 0.000 0.936 357 E HN 1.076 nan 8.360 nan 0.000 0.466 358 G N 2.727 111.451 108.800 -0.126 0.000 2.195 358 G HA2 -0.313 3.640 3.960 -0.011 0.000 0.224 358 G HA3 -0.313 3.640 3.960 -0.011 0.000 0.224 358 G C 0.409 175.265 174.900 -0.074 0.000 0.990 358 G CA -0.115 44.970 45.100 -0.025 0.000 0.639 358 G HN 0.474 nan 8.290 nan 0.000 0.514 359 M N 0.951 120.367 119.600 -0.307 0.000 2.250 359 M HA 0.228 4.702 4.480 -0.011 0.000 0.325 359 M C 1.485 177.735 176.300 -0.083 0.000 1.084 359 M CA 0.914 56.000 55.300 -0.358 0.000 1.161 359 M CB 0.248 32.365 32.600 -0.804 0.000 1.481 359 M HN 0.209 nan 8.290 nan 0.000 0.449 360 D N 1.239 121.618 120.400 -0.035 0.000 2.263 360 D HA -0.031 4.603 4.640 -0.011 0.000 0.208 360 D C 1.098 177.431 176.300 0.056 0.000 0.971 360 D CA 1.014 55.035 54.000 0.036 0.000 0.867 360 D CB -0.192 40.663 40.800 0.091 0.000 0.929 360 D HN 0.727 nan 8.370 nan 0.000 0.492 361 G N -0.166 108.689 108.800 0.092 0.000 2.489 361 G HA2 0.168 4.121 3.960 -0.011 0.000 0.271 361 G HA3 0.168 4.121 3.960 -0.011 0.000 0.271 361 G C -0.303 174.671 174.900 0.123 0.000 1.427 361 G CA -0.543 44.617 45.100 0.100 0.000 1.057 361 G HN -0.083 nan 8.290 nan 0.000 0.532 362 D N -0.018 120.438 120.400 0.093 0.000 2.225 362 D HA 0.501 5.135 4.640 -0.011 0.000 0.249 362 D C 0.629 176.987 176.300 0.097 0.000 1.052 362 D CA 0.100 54.155 54.000 0.092 0.000 0.909 362 D CB 1.415 42.238 40.800 0.040 0.000 1.186 362 D HN 0.515 nan 8.370 nan 0.000 0.431 363 A N 2.868 125.763 122.820 0.126 0.000 2.567 363 A HA 0.263 4.576 4.320 -0.011 0.000 0.240 363 A C -1.888 175.571 177.584 -0.208 0.000 1.053 363 A CA -0.719 51.283 52.037 -0.060 0.000 0.755 363 A CB -0.537 18.500 19.000 0.061 0.000 0.978 363 A HN 0.388 nan 8.150 nan 0.000 0.507 364 P HA 0.191 nan 4.420 nan 0.000 0.269 364 P C 0.552 177.767 177.300 -0.141 0.000 1.215 364 P CA 0.407 63.348 63.100 -0.265 0.000 0.780 364 P CB 0.999 32.491 31.700 -0.348 0.000 0.898 365 A N 1.343 124.126 122.820 -0.062 0.000 2.119 365 A HA -0.054 4.260 4.320 -0.011 0.000 0.216 365 A C 0.875 178.490 177.584 0.050 0.000 1.152 365 A CA 1.192 53.214 52.037 -0.026 0.000 0.708 365 A CB -0.925 18.062 19.000 -0.022 0.000 0.805 365 A HN 0.788 nan 8.150 nan 0.000 0.460 366 H N -2.041 117.012 119.070 -0.029 0.000 2.894 366 H HA 0.747 5.296 4.556 -0.011 0.000 0.367 366 H C -1.137 174.217 175.328 0.042 0.000 1.144 366 H CA -0.703 55.360 56.048 0.025 0.000 1.180 366 H CB 1.056 30.819 29.762 0.001 0.000 1.758 366 H HN 0.088 nan 8.280 nan 0.000 0.541 367 L N 3.842 124.730 121.223 -0.558 0.000 2.502 367 L HA 0.462 4.795 4.340 -0.011 0.000 0.253 367 L C -0.852 175.769 176.870 -0.415 0.000 1.070 367 L CA -1.062 53.571 54.840 -0.345 0.000 0.871 367 L CB 2.367 44.305 42.059 -0.202 0.000 1.487 367 L HN 0.555 nan 8.230 nan 0.000 0.408 368 I N 1.266 121.743 120.570 -0.154 0.000 2.354 368 I HA 0.209 4.373 4.170 -0.011 0.000 0.292 368 I C -0.728 175.371 176.117 -0.030 0.000 0.989 368 I CA -0.557 60.713 61.300 -0.050 0.000 1.188 368 I CB 1.503 39.516 38.000 0.022 0.000 1.342 368 I HN 0.573 nan 8.210 nan 0.000 0.457 369 D N 6.148 126.533 120.400 -0.024 0.000 2.387 369 D HA -0.020 4.613 4.640 -0.011 0.000 0.251 369 D C 1.049 177.355 176.300 0.011 0.000 1.141 369 D CA -0.695 53.280 54.000 -0.042 0.000 0.987 369 D CB 0.574 41.324 40.800 -0.084 0.000 1.116 369 D HN 0.672 nan 8.370 nan 0.000 0.491 370 W N 0.623 121.915 121.300 -0.014 0.000 2.560 370 W HA -0.081 4.572 4.660 -0.011 0.000 0.252 370 W C 0.533 177.055 176.519 0.005 0.000 1.242 370 W CA 0.061 57.411 57.345 0.008 0.000 1.242 370 W CB -0.781 28.695 29.460 0.026 0.000 1.136 370 W HN 0.243 nan 8.180 nan 0.000 0.625 371 M N 0.396 119.676 119.600 -0.534 0.000 2.382 371 M HA 0.229 4.703 4.480 -0.011 0.000 0.247 371 M C 1.699 177.853 176.300 -0.243 0.000 1.104 371 M CA 1.121 56.060 55.300 -0.602 0.000 1.030 371 M CB 0.289 32.378 32.600 -0.851 0.000 1.424 371 M HN 0.155 nan 8.290 nan 0.000 0.486 372 G N 1.430 110.156 108.800 -0.123 0.000 2.159 372 G HA2 -0.226 3.727 3.960 -0.011 0.000 0.227 372 G HA3 -0.226 3.727 3.960 -0.011 0.000 0.227 372 G C -0.397 174.488 174.900 -0.024 0.000 0.986 372 G CA -0.222 44.854 45.100 -0.041 0.000 0.651 372 G HN 0.530 nan 8.290 nan 0.000 0.523 373 N N 1.297 119.973 118.700 -0.039 0.000 2.498 373 N HA 0.432 5.166 4.740 -0.011 0.000 0.287 373 N C -0.586 174.956 175.510 0.054 0.000 1.097 373 N CA -0.849 52.203 53.050 0.005 0.000 0.973 373 N CB 0.956 39.438 38.487 -0.008 0.000 1.153 373 N HN 0.086 nan 8.380 nan 0.000 0.472 374 D N 0.752 121.200 120.400 0.080 0.000 2.506 374 D HA -0.062 4.571 4.640 -0.011 0.000 0.234 374 D C -0.848 175.512 176.300 0.099 0.000 1.143 374 D CA 0.880 54.942 54.000 0.103 0.000 0.871 374 D CB 0.707 41.633 40.800 0.209 0.000 1.190 374 D HN 0.438 nan 8.370 nan 0.000 0.459 375 W N 1.634 122.792 121.300 -0.237 0.000 2.998 375 W HA 0.281 4.934 4.660 -0.011 0.000 0.335 375 W C -0.686 175.732 176.519 -0.168 0.000 1.110 375 W CA -0.513 56.736 57.345 -0.160 0.000 1.230 375 W CB 1.424 30.798 29.460 -0.143 0.000 1.405 375 W HN 0.262 nan 8.180 nan 0.000 0.493 376 T N 2.386 116.538 114.554 -0.669 0.000 2.924 376 T HA 0.491 4.834 4.350 -0.011 0.000 0.291 376 T C -2.354 171.503 174.700 -1.405 0.000 1.045 376 T CA -2.125 59.587 62.100 -0.648 0.000 1.015 376 T CB 2.336 71.009 68.868 -0.326 0.000 1.103 376 T HN 0.226 nan 8.240 nan 0.000 0.496 377 P HA -0.070 nan 4.420 nan 0.000 0.226 377 P C 1.173 178.177 177.300 -0.494 0.000 1.146 377 P CA 0.754 63.426 63.100 -0.712 0.000 0.773 377 P CB 0.069 31.644 31.700 -0.208 0.000 0.772 378 E N -1.180 118.749 120.200 -0.452 0.000 2.442 378 E HA 0.029 4.373 4.350 -0.011 0.000 0.195 378 E C 0.190 176.628 176.600 -0.269 0.000 1.030 378 E CA 0.163 56.402 56.400 -0.269 0.000 0.869 378 E CB -0.650 28.940 29.700 -0.184 0.000 0.857 378 E HN 0.085 nan 8.360 nan 0.000 0.505 379 S N 2.723 118.156 115.700 -0.445 0.000 2.715 379 S HA -0.068 4.395 4.470 -0.011 0.000 0.318 379 S C 0.321 174.870 174.600 -0.085 0.000 1.242 379 S CA 0.277 58.296 58.200 -0.302 0.000 1.044 379 S CB 0.442 63.336 63.200 -0.510 0.000 0.760 379 S HN 0.217 nan 8.310 nan 0.000 0.501 380 D N 1.531 121.932 120.400 0.001 0.000 2.350 380 D HA 0.051 4.685 4.640 -0.011 0.000 0.213 380 D C 0.395 176.777 176.300 0.136 0.000 1.031 380 D CA 0.402 54.442 54.000 0.067 0.000 0.861 380 D CB 0.286 41.109 40.800 0.038 0.000 0.926 380 D HN 0.627 nan 8.370 nan 0.000 0.520 381 E N 1.041 121.351 120.200 0.184 0.000 2.277 381 E HA 0.207 4.551 4.350 -0.011 0.000 0.274 381 E C -0.257 176.597 176.600 0.422 0.000 1.022 381 E CA -0.716 55.831 56.400 0.245 0.000 0.853 381 E CB 0.915 30.744 29.700 0.214 0.000 1.086 381 E HN -0.079 nan 8.360 nan 0.000 0.397 382 N N 0.820 119.721 118.700 0.335 0.000 2.518 382 N HA 0.029 4.763 4.740 -0.011 0.000 0.266 382 N C 0.545 176.206 175.510 0.252 0.000 1.196 382 N CA 0.114 53.355 53.050 0.317 0.000 0.947 382 N CB 1.012 39.591 38.487 0.153 0.000 1.098 382 N HN 0.593 nan 8.380 nan 0.000 0.450 383 A N 1.380 124.102 122.820 -0.163 0.000 1.933 383 A HA 0.155 4.469 4.320 -0.011 0.000 0.218 383 A C 0.792 178.406 177.584 0.050 0.000 1.175 383 A CA 1.472 53.151 52.037 -0.596 0.000 0.628 383 A CB -0.309 17.894 19.000 -1.328 0.000 0.814 383 A HN 0.691 nan 8.150 nan 0.000 0.444 384 A N -0.974 121.908 122.820 0.103 0.000 2.342 384 A HA 0.544 4.857 4.320 -0.011 0.000 0.323 384 A C -0.147 177.373 177.584 -0.106 0.000 1.125 384 A CA -0.572 51.516 52.037 0.086 0.000 0.785 384 A CB 0.247 19.289 19.000 0.071 0.000 1.221 384 A HN 0.445 nan 8.150 nan 0.000 0.463 385 H N 2.574 121.275 119.070 -0.616 0.000 2.871 385 H HA 0.069 4.619 4.556 -0.011 0.000 0.355 385 H C -1.649 173.448 175.328 -0.385 0.000 1.092 385 H CA -0.697 54.862 56.048 -0.815 0.000 1.420 385 H CB 1.140 30.078 29.762 -1.374 0.000 1.400 385 H HN 0.316 nan 8.280 nan 0.000 0.604 386 P HA -0.179 nan 4.420 nan 0.000 0.216 386 P C 0.930 178.174 177.300 -0.093 0.000 1.157 386 P CA 1.783 64.739 63.100 -0.241 0.000 0.880 386 P CB 0.202 31.737 31.700 -0.275 0.000 0.791 387 N N -0.901 117.857 118.700 0.097 0.000 2.434 387 N HA -0.020 4.713 4.740 -0.011 0.000 0.196 387 N C -0.340 175.130 175.510 -0.066 0.000 1.183 387 N CA -0.057 53.005 53.050 0.020 0.000 0.849 387 N CB -0.528 37.957 38.487 -0.003 0.000 0.992 387 N HN 0.087 nan 8.380 nan 0.000 0.460 388 S N -0.106 115.519 115.700 -0.124 0.000 2.566 388 S HA 0.196 4.659 4.470 -0.011 0.000 0.280 388 S C 0.108 174.537 174.600 -0.285 0.000 1.343 388 S CA -0.261 57.834 58.200 -0.175 0.000 1.036 388 S CB 0.986 64.086 63.200 -0.166 0.000 0.866 388 S HN 0.085 nan 8.310 nan 0.000 0.526 389 R N 1.096 121.416 120.500 -0.300 0.000 2.725 389 R HA 0.362 4.696 4.340 -0.011 0.000 0.277 389 R C -1.136 174.970 176.300 -0.323 0.000 0.987 389 R CA -0.646 55.121 56.100 -0.555 0.000 0.901 389 R CB 1.292 30.998 30.300 -0.990 0.000 1.207 389 R HN 0.895 nan 8.270 nan 0.000 0.463 390 Y N -1.742 118.344 120.300 -0.357 0.000 2.419 390 Y HA 0.693 5.236 4.550 -0.011 0.000 0.328 390 Y C -0.143 175.587 175.900 -0.282 0.000 1.162 390 Y CA -1.287 56.637 58.100 -0.294 0.000 1.174 390 Y CB 1.356 39.692 38.460 -0.206 0.000 1.228 390 Y HN 0.469 nan 8.280 nan 0.000 0.473 391 C N 4.917 124.201 119.300 -0.027 0.000 2.571 391 C HA 0.786 5.240 4.460 -0.011 0.000 0.343 391 C C -1.206 173.829 174.990 0.075 0.000 1.082 391 C CA -0.525 58.539 59.018 0.076 0.000 1.339 391 C CB -0.167 27.656 27.740 0.138 0.000 1.893 391 C HN 0.956 nan 8.230 nan 0.000 0.445 392 V N 5.773 125.774 119.914 0.145 0.000 3.049 392 V HA 0.907 5.020 4.120 -0.011 0.000 0.309 392 V C 0.134 176.244 176.094 0.027 0.000 1.148 392 V CA 0.095 62.439 62.300 0.074 0.000 0.990 392 V CB 2.166 34.043 31.823 0.090 0.000 1.039 392 V HN 1.286 nan 8.190 nan 0.000 0.430 393 A N 4.679 127.462 122.820 -0.062 0.000 2.425 393 A HA 0.465 4.779 4.320 -0.011 0.000 0.249 393 A C 1.015 178.453 177.584 -0.244 0.000 1.084 393 A CA 0.005 51.949 52.037 -0.154 0.000 0.781 393 A CB 0.108 19.029 19.000 -0.130 0.000 1.019 393 A HN 0.914 nan 8.150 nan 0.000 0.490 394 I N 0.797 121.054 120.570 -0.521 0.000 2.226 394 I HA -0.225 3.938 4.170 -0.011 0.000 0.245 394 I C 1.835 177.678 176.117 -0.456 0.000 1.100 394 I CA 1.966 62.747 61.300 -0.866 0.000 1.374 394 I CB -0.373 36.769 38.000 -1.431 0.000 1.057 394 I HN 0.894 nan 8.210 nan 0.000 0.413 395 D N 0.207 120.468 120.400 -0.233 0.000 2.312 395 D HA -0.253 4.380 4.640 -0.011 0.000 0.211 395 D C 1.950 178.270 176.300 0.034 0.000 0.964 395 D CA 0.568 54.594 54.000 0.043 0.000 0.877 395 D CB -0.536 40.403 40.800 0.233 0.000 0.924 395 D HN 0.360 nan 8.370 nan 0.000 0.515 396 Q N 0.144 119.943 119.800 -0.003 0.000 2.297 396 Q HA -0.091 4.242 4.340 -0.011 0.000 0.208 396 Q C 0.325 176.355 176.000 0.049 0.000 0.981 396 Q CA 0.485 56.299 55.803 0.018 0.000 0.876 396 Q CB -0.048 28.692 28.738 0.004 0.000 0.921 396 Q HN 0.175 nan 8.270 nan 0.000 0.446 397 S N 0.653 116.397 115.700 0.073 0.000 2.510 397 S HA 0.090 4.553 4.470 -0.011 0.000 0.279 397 S C -1.755 172.891 174.600 0.077 0.000 1.284 397 S CA -1.490 56.773 58.200 0.107 0.000 1.059 397 S CB 0.883 64.215 63.200 0.219 0.000 0.901 397 S HN 0.203 nan 8.310 nan 0.000 0.491 398 P HA -0.060 nan 4.420 nan 0.000 0.218 398 P C 0.427 177.764 177.300 0.061 0.000 1.146 398 P CA 1.017 64.150 63.100 0.055 0.000 0.813 398 P CB 0.059 31.786 31.700 0.045 0.000 0.778 399 A N -1.382 121.477 122.820 0.065 0.000 2.507 399 A HA 0.553 4.867 4.320 -0.011 0.000 0.270 399 A C 0.880 178.523 177.584 0.099 0.000 1.318 399 A CA -0.179 51.901 52.037 0.072 0.000 0.924 399 A CB -0.736 18.296 19.000 0.054 0.000 1.061 399 A HN 0.185 nan 8.150 nan 0.000 0.516 400 A N 0.566 123.451 122.820 0.109 0.000 2.450 400 A HA 0.587 4.901 4.320 -0.011 0.000 0.255 400 A C 0.766 178.455 177.584 0.175 0.000 1.096 400 A CA 0.314 52.420 52.037 0.115 0.000 0.778 400 A CB -0.088 18.950 19.000 0.064 0.000 1.031 400 A HN 1.280 nan 8.150 nan 0.000 0.494 401 A N 4.786 127.737 122.820 0.219 0.000 2.401 401 A HA 0.555 4.868 4.320 -0.011 0.000 0.259 401 A C -0.921 176.813 177.584 0.249 0.000 1.103 401 A CA -1.228 50.938 52.037 0.215 0.000 0.789 401 A CB 0.017 19.154 19.000 0.228 0.000 1.035 401 A HN 0.676 nan 8.150 nan 0.000 0.491 402 P HA -0.176 nan 4.420 nan 0.000 0.220 402 P C 0.719 178.052 177.300 0.054 0.000 1.148 402 P CA 1.385 64.551 63.100 0.110 0.000 0.803 402 P CB 0.241 31.979 31.700 0.063 0.000 0.782 403 E N 0.092 120.330 120.200 0.063 0.000 2.463 403 E HA -0.044 4.300 4.350 -0.011 0.000 0.193 403 E C 1.554 178.136 176.600 -0.030 0.000 1.041 403 E CA -0.341 56.044 56.400 -0.024 0.000 0.879 403 E CB -1.024 28.661 29.700 -0.024 0.000 0.997 403 E HN 0.243 nan 8.360 nan 0.000 0.478 404 F N 2.368 122.327 119.950 0.015 0.000 2.250 404 F HA -0.081 4.441 4.527 -0.009 0.000 0.301 404 F C 1.318 177.116 175.800 -0.003 0.000 1.077 404 F CA 1.649 59.653 58.000 0.006 0.000 1.348 404 F CB -0.622 38.381 39.000 0.006 0.000 1.040 404 F HN 0.044 nan 8.300 nan 0.000 0.509 405 N N 0.005 118.111 118.700 -0.990 0.000 2.230 405 N HA -0.003 4.730 4.740 -0.011 0.000 0.202 405 N C -0.795 174.594 175.510 -0.202 0.000 1.119 405 N CA -0.107 52.482 53.050 -0.768 0.000 0.851 405 N CB -0.283 37.638 38.487 -0.943 0.000 0.990 405 N HN 0.287 nan 8.380 nan 0.000 0.497 406 D N -0.167 120.155 120.400 -0.131 0.000 2.274 406 D HA 0.032 4.665 4.640 -0.011 0.000 0.239 406 D C 0.983 177.242 176.300 -0.068 0.000 1.104 406 D CA -0.806 53.164 54.000 -0.050 0.000 0.840 406 D CB 0.433 41.064 40.800 -0.282 0.000 1.100 406 D HN 0.319 nan 8.370 nan 0.000 0.477 407 W N 3.337 124.588 121.300 -0.083 0.000 2.421 407 W HA -0.059 4.597 4.660 -0.008 0.000 0.270 407 W C 1.220 177.709 176.519 -0.049 0.000 1.233 407 W CA 0.243 57.550 57.345 -0.064 0.000 1.226 407 W CB -0.242 29.178 29.460 -0.067 0.000 1.121 407 W HN 0.360 nan 8.180 nan 0.000 0.579 408 E N 1.151 120.831 120.200 -0.865 0.000 2.267 408 E HA 0.126 4.470 4.350 -0.011 0.000 0.197 408 E C 1.616 178.093 176.600 -0.204 0.000 0.998 408 E CA 1.842 57.903 56.400 -0.566 0.000 0.830 408 E CB -0.662 28.673 29.700 -0.609 0.000 0.751 408 E HN 0.402 nan 8.360 nan 0.000 0.491 409 G N -0.726 108.009 108.800 -0.108 0.000 2.829 409 G HA2 -0.187 3.766 3.960 -0.011 0.000 0.628 409 G HA3 -0.187 3.766 3.960 -0.011 0.000 0.628 409 G C -0.297 174.647 174.900 0.074 0.000 1.412 409 G CA -0.445 44.690 45.100 0.058 0.000 0.864 409 G HN 0.703 nan 8.290 nan 0.000 0.544 410 V N -2.594 117.284 119.914 -0.061 0.000 2.628 410 V HA 0.873 4.986 4.120 -0.011 0.000 0.306 410 V C 0.383 176.118 176.094 -0.598 0.000 1.045 410 V CA -0.678 61.388 62.300 -0.390 0.000 0.905 410 V CB 1.801 33.162 31.823 -0.770 0.000 0.997 410 V HN 1.122 nan 8.190 nan 0.000 0.436 411 K N 3.590 123.469 120.400 -0.869 0.000 2.322 411 K HA 0.425 4.738 4.320 -0.011 0.000 0.283 411 K C -0.670 175.707 176.600 -0.372 0.000 1.042 411 K CA -0.543 55.152 56.287 -0.986 0.000 0.958 411 K CB 0.627 32.649 32.500 -0.796 0.000 0.984 411 K HN 0.683 nan 8.250 nan 0.000 0.473 412 I N 4.238 124.667 120.570 -0.236 0.000 2.385 412 I HA 0.081 4.244 4.170 -0.011 0.000 0.294 412 I C 0.651 176.793 176.117 0.041 0.000 0.988 412 I CA -0.095 61.196 61.300 -0.014 0.000 1.265 412 I CB 1.464 39.488 38.000 0.039 0.000 1.388 412 I HN 0.815 nan 8.210 nan 0.000 0.480 413 D N 4.052 124.523 120.400 0.119 0.000 2.422 413 D HA 0.314 4.947 4.640 -0.011 0.000 0.218 413 D C 0.281 176.682 176.300 0.169 0.000 1.047 413 D CA 0.555 54.646 54.000 0.151 0.000 0.885 413 D CB 1.468 42.395 40.800 0.212 0.000 1.035 413 D HN 0.584 nan 8.370 nan 0.000 0.502 414 A N 0.561 123.481 122.820 0.166 0.000 2.577 414 A HA 0.588 4.902 4.320 -0.011 0.000 0.297 414 A C -1.441 176.250 177.584 0.177 0.000 1.060 414 A CA -0.565 51.605 52.037 0.222 0.000 0.697 414 A CB 1.115 20.172 19.000 0.096 0.000 1.281 414 A HN -0.004 nan 8.150 nan 0.000 0.402 415 I N 2.064 122.772 120.570 0.229 0.000 2.441 415 I HA 0.461 4.624 4.170 -0.011 0.000 0.295 415 I C -1.088 175.055 176.117 0.044 0.000 0.994 415 I CA -0.873 60.474 61.300 0.079 0.000 1.144 415 I CB 1.688 39.713 38.000 0.042 0.000 1.314 415 I HN 0.409 nan 8.210 nan 0.000 0.445 416 L N 6.245 127.416 121.223 -0.086 0.000 2.334 416 L HA 0.547 4.880 4.340 -0.011 0.000 0.276 416 L C -0.733 176.005 176.870 -0.221 0.000 1.014 416 L CA -0.419 54.408 54.840 -0.021 0.000 0.815 416 L CB 1.139 43.250 42.059 0.086 0.000 1.268 416 L HN 0.311 nan 8.230 nan 0.000 0.428 417 F N 0.566 120.613 119.950 0.161 0.000 2.495 417 F HA 0.789 5.310 4.527 -0.011 0.000 0.327 417 F C 0.707 176.609 175.800 0.169 0.000 1.103 417 F CA -0.532 57.556 58.000 0.146 0.000 0.949 417 F CB 2.407 41.416 39.000 0.015 0.000 1.142 417 F HN 0.505 nan 8.300 nan 0.000 0.457 418 G N 0.569 109.615 108.800 0.410 0.000 2.684 418 G HA2 0.649 4.602 3.960 -0.011 0.000 0.290 418 G HA3 0.649 4.602 3.960 -0.011 0.000 0.290 418 G C -1.510 173.286 174.900 -0.172 0.000 1.425 418 G CA -0.731 44.330 45.100 -0.064 0.000 0.822 418 G HN 0.919 nan 8.290 nan 0.000 0.482 419 G N -0.781 107.860 108.800 -0.266 0.000 2.733 419 G HA2 0.643 4.596 3.960 -0.011 0.000 0.288 419 G HA3 0.643 4.596 3.960 -0.011 0.000 0.288 419 G C -0.749 173.960 174.900 -0.318 0.000 1.373 419 G CA -1.028 43.906 45.100 -0.277 0.000 0.895 419 G HN 0.722 nan 8.290 nan 0.000 0.479 420 R N 1.422 121.668 120.500 -0.424 0.000 2.242 420 R HA 0.440 4.774 4.340 -0.011 0.000 0.334 420 R C -0.851 175.311 176.300 -0.230 0.000 1.071 420 R CA -0.459 55.360 56.100 -0.468 0.000 0.922 420 R CB 0.810 30.498 30.300 -1.020 0.000 1.023 420 R HN 0.224 nan 8.270 nan 0.000 0.458 421 R N 2.283 122.734 120.500 -0.081 0.000 2.534 421 R HA 0.310 4.643 4.340 -0.011 0.000 0.301 421 R C 0.419 176.736 176.300 0.029 0.000 0.961 421 R CA -0.606 55.449 56.100 -0.075 0.000 0.871 421 R CB 1.951 32.179 30.300 -0.120 0.000 1.170 421 R HN 0.745 nan 8.270 nan 0.000 0.446 422 A N 1.835 124.656 122.820 0.001 0.000 2.014 422 A HA -0.094 4.219 4.320 -0.011 0.000 0.218 422 A C 0.358 177.939 177.584 -0.004 0.000 1.163 422 A CA 1.500 53.552 52.037 0.025 0.000 0.652 422 A CB -0.205 18.783 19.000 -0.019 0.000 0.808 422 A HN 0.786 nan 8.150 nan 0.000 0.449 423 D N -5.688 114.684 120.400 -0.047 0.000 2.781 423 D HA 0.510 5.143 4.640 -0.011 0.000 0.295 423 D C 0.497 176.744 176.300 -0.087 0.000 1.143 423 D CA 0.459 54.428 54.000 -0.052 0.000 1.076 423 D CB 0.330 41.094 40.800 -0.059 0.000 1.444 423 D HN -0.004 nan 8.370 nan 0.000 0.567 424 T N -1.947 112.564 114.554 -0.071 0.000 13.029 424 T HA -0.163 4.181 4.350 -0.011 0.000 0.417 424 T C 0.460 175.207 174.700 0.079 0.000 1.457 424 T CA 1.418 63.440 62.100 -0.131 0.000 2.388 424 T CB -1.526 67.068 68.868 -0.456 0.000 2.799 424 T HN 0.543 nan 8.240 nan 0.000 0.661 425 V N 5.357 125.281 119.914 0.018 0.000 2.385 425 V HA 0.413 4.526 4.120 -0.011 0.000 0.269 425 V C -2.101 174.038 176.094 0.074 0.000 1.043 425 V CA -1.715 60.665 62.300 0.133 0.000 0.906 425 V CB 1.134 32.967 31.823 0.017 0.000 0.995 425 V HN 0.266 nan 8.190 nan 0.000 0.467 426 P HA 0.100 nan 4.420 nan 0.000 0.272 426 P C 0.974 178.211 177.300 -0.105 0.000 1.223 426 P CA -0.380 62.708 63.100 -0.021 0.000 0.784 426 P CB 0.847 32.519 31.700 -0.046 0.000 0.923 427 L N 3.249 124.373 121.223 -0.166 0.000 2.113 427 L HA -0.171 4.163 4.340 -0.011 0.000 0.221 427 L C 0.573 177.277 176.870 -0.276 0.000 1.084 427 L CA 2.159 56.842 54.840 -0.262 0.000 0.787 427 L CB -0.198 41.609 42.059 -0.421 0.000 0.893 427 L HN 0.258 nan 8.230 nan 0.000 0.440 428 V N -1.137 118.606 119.914 -0.284 0.000 2.789 428 V HA 0.534 4.647 4.120 -0.011 0.000 0.300 428 V C -0.915 175.067 176.094 -0.187 0.000 1.184 428 V CA 0.193 62.359 62.300 -0.222 0.000 0.930 428 V CB 1.893 33.561 31.823 -0.257 0.000 1.041 428 V HN 0.402 nan 8.190 nan 0.000 0.430 429 T N 4.438 119.010 114.554 0.030 0.000 2.952 429 T HA 0.515 4.858 4.350 -0.011 0.000 0.305 429 T C -1.035 173.756 174.700 0.151 0.000 1.064 429 T CA -0.445 61.707 62.100 0.086 0.000 1.008 429 T CB 1.952 70.807 68.868 -0.021 0.000 1.078 429 T HN 0.955 nan 8.240 nan 0.000 0.459 430 Q N 3.021 122.917 119.800 0.160 0.000 2.256 430 Q HA 0.386 4.720 4.340 -0.011 0.000 0.254 430 Q C -0.228 175.612 176.000 -0.268 0.000 0.916 430 Q CA -0.403 55.260 55.803 -0.233 0.000 0.932 430 Q CB 1.050 29.696 28.738 -0.153 0.000 1.207 430 Q HN 0.813 nan 8.270 nan 0.000 0.426 431 T N 2.821 117.143 114.554 -0.387 0.000 2.766 431 T HA 0.078 4.421 4.350 -0.011 0.000 0.295 431 T C 0.656 175.282 174.700 -0.123 0.000 1.024 431 T CA -0.014 61.876 62.100 -0.350 0.000 1.018 431 T CB 0.243 68.888 68.868 -0.371 0.000 1.002 431 T HN 0.601 nan 8.240 nan 0.000 0.532 432 Y N 0.446 120.904 120.300 0.264 0.000 2.365 432 Y HA 0.121 4.665 4.550 -0.011 0.000 0.293 432 Y C 0.895 176.880 175.900 0.143 0.000 1.119 432 Y CA -0.260 57.887 58.100 0.079 0.000 1.203 432 Y CB 0.432 38.854 38.460 -0.064 0.000 1.026 432 Y HN 0.648 nan 8.280 nan 0.000 0.549 433 D N -4.222 116.370 120.400 0.320 0.000 2.926 433 D HA -0.158 4.476 4.640 -0.011 0.000 0.282 433 D C -0.039 176.468 176.300 0.345 0.000 1.201 433 D CA -0.926 53.258 54.000 0.306 0.000 0.735 433 D CB -0.556 40.412 40.800 0.280 0.000 1.257 433 D HN 0.099 nan 8.370 nan 0.000 0.428 434 W N 0.963 122.360 121.300 0.162 0.000 2.325 434 W HA -0.171 4.483 4.660 -0.010 0.000 0.299 434 W C 1.102 177.746 176.519 0.207 0.000 1.215 434 W CA 2.157 59.616 57.345 0.190 0.000 1.244 434 W CB 0.192 29.756 29.460 0.173 0.000 1.140 434 W HN 0.590 nan 8.180 nan 0.000 0.523 435 E N -1.593 118.810 120.200 0.338 0.000 2.107 435 E HA -0.247 4.096 4.350 -0.011 0.000 0.191 435 E C 2.101 178.797 176.600 0.161 0.000 0.982 435 E CA 1.119 57.656 56.400 0.228 0.000 0.809 435 E CB -0.713 29.124 29.700 0.229 0.000 0.756 435 E HN 0.472 nan 8.360 nan 0.000 0.459 436 H N 0.003 119.119 119.070 0.077 0.000 2.353 436 H HA -0.079 4.470 4.556 -0.011 0.000 0.300 436 H C 2.147 177.435 175.328 -0.068 0.000 1.090 436 H CA 1.185 57.239 56.048 0.010 0.000 1.327 436 H CB 0.064 29.829 29.762 0.004 0.000 1.383 436 H HN 0.177 nan 8.280 nan 0.000 0.508 437 G N -0.411 108.296 108.800 -0.155 0.000 2.440 437 G HA2 -0.271 3.682 3.960 -0.011 0.000 0.218 437 G HA3 -0.271 3.682 3.960 -0.011 0.000 0.218 437 G C 1.705 176.449 174.900 -0.259 0.000 1.154 437 G CA 1.270 46.240 45.100 -0.215 0.000 0.767 437 G HN 0.393 nan 8.290 nan 0.000 0.552 438 T N 0.831 115.211 114.554 -0.290 0.000 2.788 438 T HA -0.085 4.258 4.350 -0.011 0.000 0.268 438 T C 2.215 176.710 174.700 -0.342 0.000 1.044 438 T CA 1.246 63.127 62.100 -0.365 0.000 1.139 438 T CB -0.151 68.613 68.868 -0.174 0.000 0.867 438 T HN 0.238 nan 8.240 nan 0.000 0.454 439 M N 1.014 120.496 119.600 -0.197 0.000 2.099 439 M HA -0.079 4.394 4.480 -0.011 0.000 0.262 439 M C 2.195 178.376 176.300 -0.199 0.000 1.067 439 M CA 1.541 56.757 55.300 -0.140 0.000 1.124 439 M CB -0.401 32.212 32.600 0.023 0.000 1.353 439 M HN 0.098 nan 8.290 nan 0.000 0.410 440 V N 0.834 120.595 119.914 -0.256 0.000 2.392 440 V HA -0.222 3.891 4.120 -0.011 0.000 0.249 440 V C 2.660 178.480 176.094 -0.456 0.000 1.059 440 V CA 2.050 64.188 62.300 -0.271 0.000 1.051 440 V CB -1.805 29.831 31.823 -0.310 0.000 0.658 440 V HN 0.735 nan 8.190 nan 0.000 0.455 441 G N -0.409 107.920 108.800 -0.786 0.000 2.418 441 G HA2 -0.191 3.762 3.960 -0.011 0.000 0.217 441 G HA3 -0.191 3.762 3.960 -0.011 0.000 0.217 441 G C 1.775 176.218 174.900 -0.761 0.000 1.158 441 G CA 0.932 45.187 45.100 -1.408 0.000 0.771 441 G HN 0.611 nan 8.290 nan 0.000 0.545 442 A N 0.372 122.892 122.820 -0.500 0.000 1.978 442 A HA 0.104 4.418 4.320 -0.011 0.000 0.220 442 A C 2.197 179.716 177.584 -0.108 0.000 1.170 442 A CA 1.109 52.994 52.037 -0.254 0.000 0.636 442 A CB -0.282 18.596 19.000 -0.204 0.000 0.810 442 A HN 0.373 nan 8.150 nan 0.000 0.448 443 L N -0.416 120.723 121.223 -0.139 0.000 2.628 443 L HA 0.251 4.585 4.340 -0.011 0.000 0.229 443 L C 0.612 177.405 176.870 -0.127 0.000 1.137 443 L CA -0.475 54.337 54.840 -0.047 0.000 0.909 443 L CB -0.164 41.899 42.059 0.007 0.000 1.137 443 L HN 0.329 nan 8.230 nan 0.000 0.470 444 L N 1.495 122.583 121.223 -0.225 0.000 2.525 444 L HA 0.208 4.542 4.340 -0.011 0.000 0.278 444 L C 0.261 176.967 176.870 -0.273 0.000 1.218 444 L CA 0.253 54.947 54.840 -0.242 0.000 0.878 444 L CB 0.697 42.595 42.059 -0.268 0.000 1.127 444 L HN 0.219 nan 8.230 nan 0.000 0.492 445 A N 3.450 126.084 122.820 -0.310 0.000 2.564 445 A HA 0.740 5.053 4.320 -0.011 0.000 0.291 445 A C -1.184 176.201 177.584 -0.333 0.000 1.102 445 A CA -0.489 51.296 52.037 -0.420 0.000 0.660 445 A CB 1.620 20.163 19.000 -0.762 0.000 1.283 445 A HN 0.606 nan 8.150 nan 0.000 0.430 446 S N -1.415 114.086 115.700 -0.331 0.000 2.671 446 S HA 0.981 5.445 4.470 -0.011 0.000 0.299 446 S C 0.401 174.844 174.600 -0.261 0.000 1.116 446 S CA 0.134 58.167 58.200 -0.279 0.000 0.912 446 S CB 1.697 64.742 63.200 -0.259 0.000 1.130 446 S HN 2.571 nan 8.310 nan 0.000 0.501 447 G N -0.124 108.547 108.800 -0.216 0.000 2.204 447 G HA2 0.389 4.342 3.960 -0.011 0.000 0.153 447 G HA3 0.389 4.342 3.960 -0.011 0.000 0.153 447 G C -0.625 174.188 174.900 -0.144 0.000 1.295 447 G CA 0.187 45.181 45.100 -0.178 0.000 1.257 447 G HN 1.053 nan 8.290 nan 0.000 0.495 458 G N 3.412 112.196 108.800 -0.026 0.000 2.241 458 G HA2 -0.320 3.633 3.960 -0.011 0.000 0.244 458 G HA3 -0.320 3.633 3.960 -0.011 0.000 0.244 458 G C 1.022 175.886 174.900 -0.060 0.000 0.998 458 G CA 1.511 46.587 45.100 -0.041 0.000 0.621 458 G HN 1.099 nan 8.290 nan 0.000 0.519 459 T N 0.371 114.883 114.554 -0.070 0.000 2.896 459 T HA 0.333 4.676 4.350 -0.011 0.000 0.263 459 T C 1.410 176.027 174.700 -0.138 0.000 1.050 459 T CA 0.792 62.835 62.100 -0.094 0.000 1.140 459 T CB -0.220 68.595 68.868 -0.088 0.000 0.877 459 T HN 0.359 nan 8.240 nan 0.000 0.457 460 L N 2.493 123.610 121.223 -0.176 0.000 2.453 460 L HA 0.318 4.651 4.340 -0.011 0.000 0.272 460 L C 0.739 177.409 176.870 -0.334 0.000 1.182 460 L CA -0.284 54.376 54.840 -0.301 0.000 0.858 460 L CB 0.456 42.255 42.059 -0.433 0.000 1.120 460 L HN 0.111 nan 8.230 nan 0.000 0.474 461 R N 3.302 123.591 120.500 -0.351 0.000 2.215 461 R HA 0.232 4.565 4.340 -0.011 0.000 0.336 461 R C -0.726 175.324 176.300 -0.417 0.000 0.996 461 R CA -0.665 55.255 56.100 -0.300 0.000 0.847 461 R CB 0.485 30.659 30.300 -0.211 0.000 1.127 461 R HN 0.565 nan 8.270 nan 0.000 0.465 462 H N 2.608 121.446 119.070 -0.387 0.000 2.580 462 H HA 0.122 4.672 4.556 -0.011 0.000 0.322 462 H C -0.721 174.381 175.328 -0.377 0.000 1.082 462 H CA 0.118 55.832 56.048 -0.555 0.000 1.383 462 H CB 1.575 30.610 29.762 -1.212 0.000 1.450 462 H HN 0.525 nan 8.280 nan 0.000 0.505 463 D N 4.939 125.220 120.400 -0.198 0.000 2.586 463 D HA 0.134 4.767 4.640 -0.011 0.000 0.254 463 D C -2.676 173.572 176.300 -0.088 0.000 1.248 463 D CA -1.670 52.269 54.000 -0.101 0.000 0.843 463 D CB 1.064 41.819 40.800 -0.075 0.000 1.332 463 D HN 0.249 nan 8.370 nan 0.000 0.523 464 P HA -0.067 nan 4.420 nan 0.000 0.258 464 P C 0.462 177.696 177.300 -0.111 0.000 1.172 464 P CA 0.037 63.082 63.100 -0.092 0.000 0.762 464 P CB 0.600 32.318 31.700 0.029 0.000 0.764 465 M N 1.914 121.361 119.600 -0.254 0.000 2.835 465 M HA -0.291 4.182 4.480 -0.011 0.000 0.177 465 M C 0.856 177.277 176.300 0.201 0.000 0.640 465 M CA 1.324 56.584 55.300 -0.065 0.000 0.635 465 M CB -2.847 29.815 32.600 0.104 0.000 2.307 465 M HN 0.635 nan 8.290 nan 0.000 0.400 466 A N -1.826 121.074 122.820 0.133 0.000 2.822 466 A HA -0.248 4.066 4.320 -0.011 0.000 0.287 466 A C 1.157 178.950 177.584 0.348 0.000 1.479 466 A CA 1.627 53.804 52.037 0.233 0.000 0.779 466 A CB -1.248 17.922 19.000 0.284 0.000 1.022 466 A HN 0.583 nan 8.150 nan 0.000 0.532 467 M N -1.405 118.304 119.600 0.182 0.000 2.306 467 M HA 0.250 4.723 4.480 -0.011 0.000 0.292 467 M C 1.672 177.937 176.300 -0.059 0.000 1.018 467 M CA 0.297 55.685 55.300 0.146 0.000 1.007 467 M CB -0.486 32.102 32.600 -0.020 0.000 1.510 467 M HN 0.639 nan 8.290 nan 0.000 0.537 468 L N 2.020 123.187 121.223 -0.094 0.000 1.976 468 L HA -0.193 4.140 4.340 -0.011 0.000 0.223 468 L C -0.595 176.110 176.870 -0.274 0.000 1.081 468 L CA 2.314 57.068 54.840 -0.143 0.000 0.784 468 L CB -1.289 40.717 42.059 -0.088 0.000 0.896 468 L HN 0.143 nan 8.230 nan 0.000 0.438 469 P HA -0.112 nan 4.420 nan 0.000 0.242 469 P C 0.751 177.723 177.300 -0.546 0.000 1.197 469 P CA 1.280 64.000 63.100 -0.635 0.000 0.765 469 P CB -0.129 31.031 31.700 -0.900 0.000 0.936 470 F N -1.292 118.612 119.950 -0.077 0.000 2.706 470 F HA 0.300 4.821 4.527 -0.010 0.000 0.313 470 F C 1.199 176.947 175.800 -0.086 0.000 1.096 470 F CA -0.715 57.243 58.000 -0.070 0.000 1.219 470 F CB 0.237 39.181 39.000 -0.094 0.000 1.051 470 F HN -0.310 nan 8.300 nan 0.000 0.568 471 I N 0.762 121.295 120.570 -0.061 0.000 2.496 471 I HA 0.144 4.307 4.170 -0.011 0.000 0.285 471 I C 1.394 177.470 176.117 -0.068 0.000 1.080 471 I CA 0.229 61.409 61.300 -0.200 0.000 1.404 471 I CB 0.928 38.641 38.000 -0.480 0.000 1.403 471 I HN 0.171 nan 8.210 nan 0.000 0.539 472 G N 5.527 114.350 108.800 0.038 0.000 3.159 472 G HA2 0.206 4.159 3.960 -0.011 0.000 0.232 472 G HA3 0.206 4.159 3.960 -0.011 0.000 0.232 472 G C -0.015 175.033 174.900 0.248 0.000 1.116 472 G CA 0.096 45.286 45.100 0.151 0.000 0.767 472 G HN 0.704 nan 8.290 nan 0.000 0.547 473 Y N -2.369 117.947 120.300 0.026 0.000 3.059 473 Y HA 0.530 5.074 4.550 -0.011 0.000 0.301 473 Y C -0.321 175.588 175.900 0.015 0.000 1.677 473 Y CA -1.758 56.357 58.100 0.026 0.000 1.079 473 Y CB 0.354 38.831 38.460 0.029 0.000 1.534 473 Y HN -0.181 nan 8.280 nan 0.000 0.473 474 N N 0.961 119.718 118.700 0.096 0.000 2.434 474 N HA 0.028 4.762 4.740 -0.011 0.000 0.268 474 N C 0.847 176.258 175.510 -0.166 0.000 1.256 474 N CA 0.887 53.918 53.050 -0.032 0.000 0.914 474 N CB 1.597 40.114 38.487 0.051 0.000 1.088 474 N HN 0.906 nan 8.380 nan 0.000 0.478 475 A N 3.926 126.627 122.820 -0.198 0.000 1.972 475 A HA -0.069 4.245 4.320 -0.011 0.000 0.219 475 A C 1.955 179.504 177.584 -0.059 0.000 1.169 475 A CA 1.731 53.661 52.037 -0.177 0.000 0.635 475 A CB -0.673 18.212 19.000 -0.192 0.000 0.810 475 A HN 0.740 nan 8.150 nan 0.000 0.446 476 G N -0.723 108.025 108.800 -0.087 0.000 2.394 476 G HA2 -0.209 3.744 3.960 -0.011 0.000 0.214 476 G HA3 -0.209 3.744 3.960 -0.011 0.000 0.214 476 G C 1.428 176.340 174.900 0.020 0.000 1.176 476 G CA 0.914 45.981 45.100 -0.055 0.000 0.786 476 G HN 0.620 nan 8.290 nan 0.000 0.533 477 E N -0.523 119.719 120.200 0.070 0.000 2.130 477 E HA -0.249 4.094 4.350 -0.011 0.000 0.196 477 E C 1.998 178.759 176.600 0.268 0.000 0.998 477 E CA 1.126 57.639 56.400 0.188 0.000 0.806 477 E CB -0.287 29.605 29.700 0.319 0.000 0.738 477 E HN 0.598 nan 8.360 nan 0.000 0.459 478 Y N 0.632 120.951 120.300 0.032 0.000 2.274 478 Y HA -0.146 4.398 4.550 -0.011 0.000 0.290 478 Y C 1.702 177.713 175.900 0.185 0.000 1.145 478 Y CA 1.305 59.412 58.100 0.011 0.000 1.203 478 Y CB 0.015 38.228 38.460 -0.410 0.000 0.984 478 Y HN 0.020 nan 8.280 nan 0.000 0.533 479 L N -0.075 121.158 121.223 0.017 0.000 2.313 479 L HA -0.097 4.236 4.340 -0.011 0.000 0.214 479 L C 2.358 179.265 176.870 0.062 0.000 1.119 479 L CA 1.011 55.823 54.840 -0.045 0.000 0.809 479 L CB -0.402 41.618 42.059 -0.064 0.000 0.933 479 L HN 0.214 nan 8.230 nan 0.000 0.449 480 Q N 0.659 120.508 119.800 0.083 0.000 2.123 480 Q HA -0.180 4.153 4.340 -0.011 0.000 0.199 480 Q C 1.923 178.002 176.000 0.131 0.000 0.966 480 Q CA 1.508 57.374 55.803 0.105 0.000 0.845 480 Q CB -0.204 28.587 28.738 0.089 0.000 0.907 480 Q HN 0.360 nan 8.270 nan 0.000 0.439 481 N N -0.900 117.879 118.700 0.131 0.000 2.094 481 N HA -0.201 4.532 4.740 -0.011 0.000 0.191 481 N C 1.197 176.773 175.510 0.109 0.000 1.023 481 N CA 1.538 54.643 53.050 0.091 0.000 0.857 481 N CB -0.231 38.302 38.487 0.076 0.000 1.013 481 N HN 0.362 nan 8.380 nan 0.000 0.426 482 W N 1.137 122.410 121.300 -0.044 0.000 2.363 482 W HA -0.052 4.602 4.660 -0.010 0.000 0.296 482 W C 2.246 178.965 176.519 0.333 0.000 1.212 482 W CA 0.271 57.686 57.345 0.117 0.000 1.260 482 W CB -0.269 29.147 29.460 -0.074 0.000 1.131 482 W HN 0.118 nan 8.180 nan 0.000 0.530 483 I N -0.048 120.757 120.570 0.391 0.000 2.233 483 I HA -0.218 3.945 4.170 -0.011 0.000 0.243 483 I C 1.775 178.041 176.117 0.248 0.000 1.093 483 I CA 1.514 63.011 61.300 0.329 0.000 1.380 483 I CB -1.579 36.541 38.000 0.202 0.000 1.067 483 I HN -0.074 nan 8.210 nan 0.000 0.413 484 D N 0.840 121.339 120.400 0.164 0.000 2.137 484 D HA -0.228 4.406 4.640 -0.011 0.000 0.189 484 D C 2.323 178.655 176.300 0.053 0.000 0.998 484 D CA 1.345 55.399 54.000 0.090 0.000 0.839 484 D CB -0.324 40.511 40.800 0.058 0.000 0.962 484 D HN 0.109 nan 8.370 nan 0.000 0.446 485 M N 0.236 119.860 119.600 0.040 0.000 2.103 485 M HA -0.137 4.336 4.480 -0.011 0.000 0.255 485 M C 2.389 178.556 176.300 -0.222 0.000 1.074 485 M CA 1.791 57.049 55.300 -0.070 0.000 1.090 485 M CB -1.633 30.906 32.600 -0.101 0.000 1.325 485 M HN 0.147 nan 8.290 nan 0.000 0.403 486 G N -0.834 107.854 108.800 -0.187 0.000 2.471 486 G HA2 -0.181 3.772 3.960 -0.011 0.000 0.219 486 G HA3 -0.181 3.772 3.960 -0.011 0.000 0.219 486 G C 1.423 176.240 174.900 -0.138 0.000 1.125 486 G CA 0.993 45.812 45.100 -0.467 0.000 0.775 486 G HN 0.542 nan 8.290 nan 0.000 0.548 487 N N -0.391 118.295 118.700 -0.023 0.000 2.418 487 N HA 0.063 4.797 4.740 -0.011 0.000 0.199 487 N C 1.888 177.382 175.510 -0.026 0.000 1.044 487 N CA 0.235 53.287 53.050 0.003 0.000 0.943 487 N CB -0.105 38.408 38.487 0.044 0.000 1.154 487 N HN 0.021 nan 8.380 nan 0.000 0.467 488 K N 0.245 120.633 120.400 -0.021 0.000 2.229 488 K HA -0.273 4.040 4.320 -0.011 0.000 0.211 488 K C 1.525 178.087 176.600 -0.063 0.000 1.044 488 K CA 1.984 58.251 56.287 -0.034 0.000 0.935 488 K CB -0.271 32.209 32.500 -0.033 0.000 0.732 488 K HN 0.372 nan 8.250 nan 0.000 0.478 489 G N -1.443 107.290 108.800 -0.112 0.000 2.651 489 G HA2 0.319 4.272 3.960 -0.011 0.000 0.207 489 G HA3 0.319 4.272 3.960 -0.011 0.000 0.207 489 G C 0.742 175.565 174.900 -0.128 0.000 1.131 489 G CA 0.594 45.601 45.100 -0.154 0.000 0.816 489 G HN 0.716 nan 8.290 nan 0.000 0.534 490 G N 1.228 109.960 108.800 -0.114 0.000 2.528 490 G HA2 -0.318 3.635 3.960 -0.011 0.000 0.262 490 G HA3 -0.318 3.635 3.960 -0.011 0.000 0.262 490 G C 0.646 175.516 174.900 -0.050 0.000 1.200 490 G CA 0.956 46.023 45.100 -0.055 0.000 0.951 490 G HN 0.795 nan 8.290 nan 0.000 0.566 491 D N 0.165 120.556 120.400 -0.016 0.000 2.363 491 D HA 0.174 4.807 4.640 -0.011 0.000 0.226 491 D C 1.689 177.989 176.300 0.001 0.000 1.020 491 D CA 1.054 55.059 54.000 0.007 0.000 0.892 491 D CB 0.189 41.004 40.800 0.023 0.000 0.900 491 D HN 0.285 nan 8.370 nan 0.000 0.531 492 K N -0.105 120.278 120.400 -0.029 0.000 2.444 492 K HA 0.151 4.465 4.320 -0.011 0.000 0.193 492 K C 0.437 176.998 176.600 -0.064 0.000 1.024 492 K CA -0.002 56.269 56.287 -0.026 0.000 1.077 492 K CB -0.108 32.384 32.500 -0.014 0.000 0.833 492 K HN 0.299 nan 8.250 nan 0.000 0.517 493 M N 2.571 122.091 119.600 -0.133 0.000 2.239 493 M HA 0.126 4.599 4.480 -0.011 0.000 0.348 493 M C -1.953 174.356 176.300 0.015 0.000 1.239 493 M CA -2.259 52.913 55.300 -0.214 0.000 1.114 493 M CB -0.454 31.834 32.600 -0.520 0.000 1.641 493 M HN -0.141 nan 8.290 nan 0.000 0.453 494 P HA 0.134 nan 4.420 nan 0.000 0.274 494 P C -0.344 177.155 177.300 0.333 0.000 1.237 494 P CA -0.404 62.822 63.100 0.210 0.000 0.793 494 P CB 0.566 32.392 31.700 0.211 0.000 0.977 495 S N 0.937 116.819 115.700 0.304 0.000 2.549 495 S HA 0.278 4.741 4.470 -0.011 0.000 0.279 495 S C 0.233 174.993 174.600 0.266 0.000 1.321 495 S CA -0.626 57.723 58.200 0.249 0.000 1.054 495 S CB -0.589 62.718 63.200 0.179 0.000 0.899 495 S HN 0.211 nan 8.310 nan 0.000 0.497 496 I N 4.841 125.474 120.570 0.106 0.000 2.396 496 I HA 0.352 4.516 4.170 -0.011 0.000 0.292 496 I C -0.725 175.320 176.117 -0.119 0.000 0.999 496 I CA -0.408 60.939 61.300 0.078 0.000 1.310 496 I CB 0.733 38.757 38.000 0.041 0.000 1.404 496 I HN 0.509 nan 8.210 nan 0.000 0.496 497 F N 5.604 125.583 119.950 0.048 0.000 2.561 497 F HA 0.537 5.057 4.527 -0.011 0.000 0.321 497 F C -0.351 175.485 175.800 0.060 0.000 1.065 497 F CA -0.916 57.129 58.000 0.075 0.000 0.934 497 F CB 1.690 40.766 39.000 0.126 0.000 1.215 497 F HN 0.184 nan 8.300 nan 0.000 0.471 498 L N 3.887 125.242 121.223 0.220 0.000 2.325 498 L HA 0.789 5.122 4.340 -0.011 0.000 0.281 498 L C -0.809 176.081 176.870 0.033 0.000 1.004 498 L CA -0.666 54.247 54.840 0.121 0.000 0.823 498 L CB 1.148 43.234 42.059 0.045 0.000 1.236 498 L HN 0.466 nan 8.230 nan 0.000 0.415 499 V N 2.354 122.215 119.914 -0.089 0.000 3.103 499 V HA 0.833 4.946 4.120 -0.011 0.000 0.318 499 V C -0.888 174.864 176.094 -0.569 0.000 1.114 499 V CA -0.537 61.532 62.300 -0.385 0.000 1.020 499 V CB 2.011 33.449 31.823 -0.643 0.000 1.085 499 V HN 0.948 nan 8.190 nan 0.000 0.446 500 N N 0.819 119.116 118.700 -0.671 0.000 2.666 500 N HA 0.335 5.069 4.740 -0.011 0.000 0.260 500 N C -1.164 174.188 175.510 -0.263 0.000 1.077 500 N CA -0.588 52.181 53.050 -0.469 0.000 1.026 500 N CB 1.212 39.586 38.487 -0.189 0.000 1.653 500 N HN 0.920 nan 8.380 nan 0.000 0.533 501 W N 2.300 123.533 121.300 -0.112 0.000 3.008 501 W HA 0.388 5.041 4.660 -0.011 0.000 0.355 501 W C 0.083 176.319 176.519 -0.472 0.000 1.095 501 W CA -0.470 56.664 57.345 -0.350 0.000 1.738 501 W CB 0.518 29.575 29.460 -0.671 0.000 1.091 501 W HN 0.376 nan 8.180 nan 0.000 0.574 502 F N 0.482 120.543 119.950 0.185 0.000 2.683 502 F HA 0.304 4.824 4.527 -0.011 0.000 0.306 502 F C 1.181 177.135 175.800 0.256 0.000 1.102 502 F CA -0.723 57.422 58.000 0.242 0.000 1.244 502 F CB -0.161 38.917 39.000 0.131 0.000 1.029 502 F HN -0.421 nan 8.300 nan 0.000 0.545 503 R N 1.880 122.541 120.500 0.269 0.000 2.638 503 R HA 0.164 4.497 4.340 -0.011 0.000 0.268 503 R C 0.186 176.588 176.300 0.170 0.000 1.006 503 R CA 0.385 56.584 56.100 0.164 0.000 1.088 503 R CB 0.246 30.607 30.300 0.101 0.000 0.950 503 R HN 0.274 nan 8.270 nan 0.000 0.419 504 R N 0.161 120.696 120.500 0.059 0.000 2.670 504 R HA 0.376 4.709 4.340 -0.011 0.000 0.289 504 R C 0.239 176.523 176.300 -0.027 0.000 0.965 504 R CA -0.692 55.385 56.100 -0.039 0.000 0.899 504 R CB 2.181 32.394 30.300 -0.145 0.000 1.173 504 R HN 0.736 nan 8.270 nan 0.000 0.456 505 G N 0.147 108.928 108.800 -0.033 0.000 2.606 505 G HA2 -0.046 3.907 3.960 -0.011 0.000 0.252 505 G HA3 -0.046 3.907 3.960 -0.011 0.000 0.252 505 G C 0.549 175.429 174.900 -0.033 0.000 1.206 505 G CA -0.271 44.819 45.100 -0.017 0.000 0.861 505 G HN 0.789 nan 8.290 nan 0.000 0.561 506 E N -0.298 119.890 120.200 -0.021 0.000 2.110 506 E HA -0.210 4.134 4.350 -0.011 0.000 0.193 506 E C 1.796 178.378 176.600 -0.030 0.000 0.988 506 E CA 1.275 57.661 56.400 -0.024 0.000 0.804 506 E CB -0.063 29.629 29.700 -0.014 0.000 0.745 506 E HN 0.610 nan 8.360 nan 0.000 0.458 507 D N -0.290 120.094 120.400 -0.027 0.000 2.191 507 D HA -0.233 4.400 4.640 -0.011 0.000 0.190 507 D C 1.414 177.682 176.300 -0.054 0.000 1.007 507 D CA 2.816 56.797 54.000 -0.033 0.000 0.865 507 D CB -0.363 40.422 40.800 -0.025 0.000 0.929 507 D HN 0.469 nan 8.370 nan 0.000 0.447 508 G N -0.229 108.524 108.800 -0.079 0.000 2.229 508 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.189 508 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.189 508 G C 0.378 175.149 174.900 -0.214 0.000 1.000 508 G CA 0.349 45.371 45.100 -0.131 0.000 0.663 508 G HN 0.736 nan 8.290 nan 0.000 0.493 509 R N 0.074 120.487 120.500 -0.146 0.000 2.694 509 R HA 0.524 4.857 4.340 -0.011 0.000 0.268 509 R C -0.192 175.997 176.300 -0.186 0.000 1.061 509 R CA -0.429 55.589 56.100 -0.136 0.000 1.133 509 R CB 0.416 30.700 30.300 -0.027 0.000 1.020 509 R HN 0.054 nan 8.270 nan 0.000 0.475 510 F N 1.751 121.723 119.950 0.038 0.000 2.529 510 F HA 0.024 4.545 4.527 -0.011 0.000 0.365 510 F C 1.545 177.370 175.800 0.040 0.000 1.102 510 F CA -0.180 57.844 58.000 0.040 0.000 1.271 510 F CB 0.608 39.619 39.000 0.018 0.000 1.120 510 F HN 0.407 nan 8.300 nan 0.000 0.579 511 L N 2.656 124.034 121.223 0.259 0.000 2.127 511 L HA -0.033 4.300 4.340 -0.011 0.000 0.203 511 L C 0.553 177.572 176.870 0.248 0.000 1.080 511 L CA 0.570 55.528 54.840 0.197 0.000 0.768 511 L CB -0.020 42.135 42.059 0.160 0.000 0.924 511 L HN 0.577 nan 8.230 nan 0.000 0.444 512 W N 2.725 124.039 121.300 0.023 0.000 2.433 512 W HA 0.225 4.878 4.660 -0.011 0.000 0.315 512 W C -1.736 174.710 176.519 -0.122 0.000 1.087 512 W CA -1.917 55.395 57.345 -0.055 0.000 1.205 512 W CB 1.681 31.099 29.460 -0.070 0.000 1.288 512 W HN -0.100 nan 8.180 nan 0.000 0.504 513 P HA -0.031 nan 4.420 nan 0.000 0.218 513 P C 0.953 177.924 177.300 -0.548 0.000 1.149 513 P CA 1.947 64.748 63.100 -0.498 0.000 0.817 513 P CB 0.480 31.873 31.700 -0.511 0.000 0.785 514 G N -0.778 107.517 108.800 -0.841 0.000 2.562 514 G HA2 -0.272 3.682 3.960 -0.011 0.000 0.250 514 G HA3 -0.272 3.682 3.960 -0.011 0.000 0.250 514 G C 0.147 174.727 174.900 -0.535 0.000 1.269 514 G CA -0.156 44.497 45.100 -0.745 0.000 0.919 514 G HN 0.134 nan 8.290 nan 0.000 0.574 515 F N -1.431 118.276 119.950 -0.406 0.000 2.797 515 F HA -0.317 4.203 4.527 -0.011 0.000 0.230 515 F C 2.726 178.369 175.800 -0.262 0.000 1.480 515 F CA 3.236 61.064 58.000 -0.286 0.000 1.923 515 F CB -1.724 37.145 39.000 -0.218 0.000 0.481 515 F HN 1.581 nan 8.300 nan 0.000 0.259 516 G N -0.678 108.135 108.800 0.022 0.000 2.572 516 G HA2 -0.060 3.893 3.960 -0.011 0.000 0.216 516 G HA3 -0.060 3.893 3.960 -0.011 0.000 0.216 516 G C 0.955 175.784 174.900 -0.118 0.000 1.133 516 G CA 0.938 46.010 45.100 -0.047 0.000 0.791 516 G HN 0.599 nan 8.290 nan 0.000 0.538 517 D N 0.980 121.263 120.400 -0.195 0.000 2.371 517 D HA -0.054 4.579 4.640 -0.011 0.000 0.221 517 D C 1.349 177.576 176.300 -0.122 0.000 0.986 517 D CA 0.240 54.087 54.000 -0.255 0.000 0.899 517 D CB 0.059 40.562 40.800 -0.495 0.000 0.902 517 D HN 0.170 nan 8.370 nan 0.000 0.530 518 N N 0.433 119.020 118.700 -0.189 0.000 2.521 518 N HA -0.075 4.658 4.740 -0.011 0.000 0.188 518 N C 1.676 177.113 175.510 -0.120 0.000 1.146 518 N CA 0.192 53.105 53.050 -0.229 0.000 0.893 518 N CB 0.117 38.144 38.487 -0.768 0.000 0.975 518 N HN 0.158 nan 8.380 nan 0.000 0.451 519 S N 0.282 115.915 115.700 -0.111 0.000 2.453 519 S HA 0.026 4.489 4.470 -0.011 0.000 0.231 519 S C 1.796 176.266 174.600 -0.216 0.000 1.005 519 S CA 0.296 58.400 58.200 -0.160 0.000 0.949 519 S CB 0.011 63.114 63.200 -0.162 0.000 0.774 519 S HN 0.266 nan 8.310 nan 0.000 0.510 520 R N 0.702 121.158 120.500 -0.074 0.000 2.093 520 R HA 0.155 4.488 4.340 -0.011 0.000 0.224 520 R C 2.102 178.423 176.300 0.036 0.000 1.101 520 R CA 1.043 57.134 56.100 -0.015 0.000 0.979 520 R CB -0.614 29.786 30.300 0.166 0.000 0.877 520 R HN 0.303 nan 8.270 nan 0.000 0.441 521 V N 1.649 121.605 119.914 0.070 0.000 2.515 521 V HA -0.163 3.950 4.120 -0.011 0.000 0.250 521 V C 2.097 178.233 176.094 0.070 0.000 1.058 521 V CA 1.481 63.810 62.300 0.049 0.000 1.064 521 V CB -0.349 31.504 31.823 0.050 0.000 0.675 521 V HN 0.290 nan 8.190 nan 0.000 0.461 522 L N -0.334 120.871 121.223 -0.030 0.000 2.313 522 L HA -0.069 4.265 4.340 -0.011 0.000 0.214 522 L C 2.441 179.174 176.870 -0.228 0.000 1.119 522 L CA 1.208 55.989 54.840 -0.098 0.000 0.809 522 L CB -0.516 41.488 42.059 -0.091 0.000 0.933 522 L HN 0.307 nan 8.230 nan 0.000 0.449 523 K N 0.125 120.318 120.400 -0.346 0.000 2.031 523 K HA -0.226 4.087 4.320 -0.011 0.000 0.205 523 K C 2.103 178.599 176.600 -0.174 0.000 1.049 523 K CA 1.226 57.240 56.287 -0.455 0.000 0.939 523 K CB -0.295 31.809 32.500 -0.660 0.000 0.717 523 K HN 0.179 nan 8.250 nan 0.000 0.438 524 W N 1.382 122.569 121.300 -0.189 0.000 2.290 524 W HA -0.344 4.310 4.660 -0.011 0.000 0.323 524 W C 1.626 178.072 176.519 -0.123 0.000 1.260 524 W CA 2.211 59.494 57.345 -0.102 0.000 1.266 524 W CB -0.571 28.847 29.460 -0.071 0.000 1.149 524 W HN -0.106 nan 8.180 nan 0.000 0.482 525 V N 0.911 120.799 119.914 -0.043 0.000 2.380 525 V HA -0.364 3.749 4.120 -0.011 0.000 0.251 525 V C 2.182 178.000 176.094 -0.461 0.000 1.063 525 V CA 1.884 63.918 62.300 -0.445 0.000 1.055 525 V CB -0.925 30.535 31.823 -0.605 0.000 0.657 525 V HN 0.237 nan 8.190 nan 0.000 0.455 526 I N -0.083 120.258 120.570 -0.383 0.000 2.333 526 I HA -0.117 4.047 4.170 -0.011 0.000 0.246 526 I C 2.171 178.083 176.117 -0.342 0.000 1.106 526 I CA 1.346 62.377 61.300 -0.449 0.000 1.411 526 I CB -1.177 36.491 38.000 -0.554 0.000 1.082 526 I HN 0.328 nan 8.210 nan 0.000 0.420 527 D N 0.484 120.706 120.400 -0.296 0.000 2.311 527 D HA -0.155 4.479 4.640 -0.011 0.000 0.212 527 D C 2.259 178.404 176.300 -0.258 0.000 0.972 527 D CA 0.703 54.558 54.000 -0.242 0.000 0.887 527 D CB 0.032 40.699 40.800 -0.222 0.000 0.915 527 D HN 0.145 nan 8.370 nan 0.000 0.497 528 R N 0.357 120.612 120.500 -0.409 0.000 2.075 528 R HA 0.103 4.437 4.340 -0.011 0.000 0.220 528 R C 2.432 178.697 176.300 -0.058 0.000 1.118 528 R CA 0.258 56.173 56.100 -0.307 0.000 0.986 528 R CB -0.660 29.442 30.300 -0.329 0.000 0.884 528 R HN 0.350 nan 8.270 nan 0.000 0.439 529 I N -0.635 119.932 120.570 -0.004 0.000 2.916 529 I HA -0.065 4.098 4.170 -0.011 0.000 0.267 529 I C 1.352 177.514 176.117 0.075 0.000 1.263 529 I CA 1.303 62.655 61.300 0.087 0.000 1.471 529 I CB -0.025 38.051 38.000 0.126 0.000 1.089 529 I HN -0.097 nan 8.210 nan 0.000 0.468 530 E N 2.015 122.257 120.200 0.070 0.000 2.083 530 E HA 0.230 4.573 4.350 -0.011 0.000 0.193 530 E C 1.518 178.215 176.600 0.162 0.000 0.950 530 E CA 1.174 57.670 56.400 0.161 0.000 0.849 530 E CB 0.099 29.924 29.700 0.207 0.000 0.827 530 E HN 0.556 nan 8.360 nan 0.000 0.465 531 G N 0.928 109.853 108.800 0.210 0.000 3.442 531 G HA2 -0.056 3.897 3.960 -0.011 0.000 0.224 531 G HA3 -0.056 3.897 3.960 -0.011 0.000 0.224 531 G C -0.423 174.398 174.900 -0.132 0.000 0.988 531 G CA -0.494 44.595 45.100 -0.018 0.000 1.133 531 G HN 0.107 nan 8.290 nan 0.000 0.659 532 H N 0.604 119.636 119.070 -0.064 0.000 2.505 532 H HA 0.441 4.990 4.556 -0.011 0.000 0.289 532 H C 2.056 177.340 175.328 -0.073 0.000 1.052 532 H CA 0.060 56.082 56.048 -0.042 0.000 1.156 532 H CB -0.137 29.611 29.762 -0.023 0.000 1.507 532 H HN 0.749 nan 8.280 nan 0.000 0.548 533 V N -0.499 119.399 119.914 -0.027 0.000 3.339 533 V HA -0.294 3.820 4.120 -0.011 0.000 0.273 533 V C 1.304 177.408 176.094 0.017 0.000 1.036 533 V CA 0.839 63.099 62.300 -0.065 0.000 1.065 533 V CB -1.167 30.631 31.823 -0.040 0.000 1.181 533 V HN 0.917 nan 8.190 nan 0.000 0.434 534 G N -0.961 107.885 108.800 0.077 0.000 2.897 534 G HA2 0.489 4.443 3.960 -0.011 0.000 0.436 534 G HA3 0.489 4.443 3.960 -0.011 0.000 0.436 534 G C -0.407 174.672 174.900 0.298 0.000 1.079 534 G CA 0.030 45.231 45.100 0.167 0.000 1.090 534 G HN 2.695 nan 8.290 nan 0.000 0.480 535 A N 2.106 125.057 122.820 0.219 0.000 2.374 535 A HA 0.847 5.160 4.320 -0.011 0.000 0.305 535 A C -0.424 177.252 177.584 0.152 0.000 1.053 535 A CA -0.129 52.062 52.037 0.257 0.000 0.726 535 A CB 1.444 20.618 19.000 0.290 0.000 1.229 535 A HN 1.316 nan 8.150 nan 0.000 0.431 536 D N 1.784 122.264 120.400 0.134 0.000 2.381 536 D HA 0.453 5.087 4.640 -0.011 0.000 0.235 536 D C -0.299 176.060 176.300 0.098 0.000 1.068 536 D CA -0.557 53.500 54.000 0.094 0.000 0.832 536 D CB 1.026 41.866 40.800 0.066 0.000 1.101 536 D HN 0.316 nan 8.370 nan 0.000 0.515 537 E N 0.996 121.263 120.200 0.112 0.000 2.568 537 E HA 0.253 4.597 4.350 -0.011 0.000 0.262 537 E C 0.235 176.866 176.600 0.053 0.000 0.961 537 E CA 0.470 56.947 56.400 0.128 0.000 0.945 537 E CB 0.430 30.206 29.700 0.127 0.000 0.924 537 E HN 0.637 nan 8.360 nan 0.000 0.467 538 T N -1.340 113.224 114.554 0.017 0.000 2.858 538 T HA 0.348 4.691 4.350 -0.011 0.000 0.285 538 T C 1.181 175.795 174.700 -0.143 0.000 1.052 538 T CA -0.324 61.732 62.100 -0.073 0.000 1.009 538 T CB 0.698 69.496 68.868 -0.118 0.000 1.241 538 T HN 0.230 nan 8.240 nan 0.000 0.542 539 V N -0.196 119.558 119.914 -0.267 0.000 2.407 539 V HA -0.080 4.033 4.120 -0.011 0.000 0.248 539 V C 2.255 178.057 176.094 -0.486 0.000 1.055 539 V CA 1.549 63.633 62.300 -0.360 0.000 1.049 539 V CB -1.576 29.978 31.823 -0.448 0.000 0.662 539 V HN 0.695 nan 8.190 nan 0.000 0.455 540 V N 1.088 120.611 119.914 -0.652 0.000 2.548 540 V HA 0.448 4.561 4.120 -0.011 0.000 0.249 540 V C 1.472 177.355 176.094 -0.351 0.000 1.055 540 V CA 1.520 63.460 62.300 -0.601 0.000 1.065 540 V CB -1.246 30.292 31.823 -0.474 0.000 0.681 540 V HN 1.043 nan 8.190 nan 0.000 0.462 541 G N -1.463 107.169 108.800 -0.279 0.000 2.439 541 G HA2 0.068 4.021 3.960 -0.011 0.000 0.186 541 G HA3 0.068 4.021 3.960 -0.011 0.000 0.186 541 G C -1.294 173.570 174.900 -0.060 0.000 1.260 541 G CA -0.660 44.222 45.100 -0.363 0.000 1.020 541 G HN 0.192 nan 8.290 nan 0.000 0.470 542 H N 1.479 120.608 119.070 0.097 0.000 3.067 542 H HA 0.540 5.090 4.556 -0.011 0.000 0.265 542 H C 0.608 176.040 175.328 0.173 0.000 1.234 542 H CA 0.722 56.868 56.048 0.164 0.000 1.452 542 H CB 0.248 30.132 29.762 0.203 0.000 1.527 542 H HN 0.651 nan 8.280 nan 0.000 0.486 543 T N 0.320 115.002 114.554 0.213 0.000 2.918 543 T HA 0.640 4.984 4.350 -0.011 0.000 0.286 543 T C 0.305 174.994 174.700 -0.018 0.000 1.026 543 T CA -0.788 61.351 62.100 0.066 0.000 1.031 543 T CB 1.359 70.203 68.868 -0.041 0.000 1.046 543 T HN 0.603 nan 8.240 nan 0.000 0.479 544 A N 2.930 125.509 122.820 -0.403 0.000 2.565 544 A HA 0.230 4.543 4.320 -0.011 0.000 0.237 544 A C 1.284 178.775 177.584 -0.155 0.000 1.053 544 A CA 0.007 51.654 52.037 -0.649 0.000 0.755 544 A CB -0.106 18.139 19.000 -1.257 0.000 0.980 544 A HN 1.005 nan 8.150 nan 0.000 0.506 545 K N 2.240 122.691 120.400 0.084 0.000 2.365 545 K HA 0.193 4.506 4.320 -0.011 0.000 0.199 545 K C 1.055 177.667 176.600 0.019 0.000 1.045 545 K CA 0.864 57.194 56.287 0.072 0.000 0.962 545 K CB -0.159 32.416 32.500 0.125 0.000 0.759 545 K HN 1.529 nan 8.250 nan 0.000 0.469 546 A N 1.106 123.911 122.820 -0.025 0.000 3.294 546 A HA -0.204 4.109 4.320 -0.011 0.000 0.242 546 A C 0.357 177.959 177.584 0.030 0.000 1.282 546 A CA 1.420 53.433 52.037 -0.041 0.000 1.197 546 A CB -1.662 17.309 19.000 -0.048 0.000 1.145 546 A HN 0.470 nan 8.150 nan 0.000 0.898 547 E N -0.874 119.369 120.200 0.072 0.000 2.794 547 E HA 0.255 4.598 4.350 -0.011 0.000 0.203 547 E C -0.151 176.527 176.600 0.131 0.000 0.953 547 E CA 0.286 56.741 56.400 0.092 0.000 1.284 547 E CB -0.007 29.738 29.700 0.075 0.000 1.077 547 E HN 0.348 nan 8.360 nan 0.000 0.508 548 D N 0.358 120.874 120.400 0.193 0.000 2.319 548 D HA 0.079 4.713 4.640 -0.011 0.000 0.230 548 D C -0.501 176.010 176.300 0.352 0.000 1.094 548 D CA 0.085 54.251 54.000 0.275 0.000 0.856 548 D CB 0.308 41.343 40.800 0.391 0.000 0.915 548 D HN 0.060 nan 8.370 nan 0.000 0.517 549 L N 1.272 122.637 121.223 0.237 0.000 2.272 549 L HA 0.200 4.534 4.340 -0.011 0.000 0.289 549 L C -0.126 176.834 176.870 0.151 0.000 1.032 549 L CA -0.786 54.172 54.840 0.198 0.000 0.810 549 L CB 1.389 43.496 42.059 0.080 0.000 1.205 549 L HN -0.195 nan 8.230 nan 0.000 0.422 550 D N 4.771 125.250 120.400 0.132 0.000 2.376 550 D HA -0.027 4.606 4.640 -0.011 0.000 0.278 550 D C 0.272 176.629 176.300 0.096 0.000 1.384 550 D CA 0.550 54.605 54.000 0.093 0.000 1.033 550 D CB 0.375 41.206 40.800 0.052 0.000 1.102 550 D HN 0.442 nan 8.370 nan 0.000 0.530 551 L N 3.437 124.715 121.223 0.091 0.000 3.062 551 L HA 0.176 4.509 4.340 -0.011 0.000 0.255 551 L C 0.020 176.911 176.870 0.035 0.000 1.274 551 L CA -0.456 54.430 54.840 0.076 0.000 1.047 551 L CB 0.193 42.311 42.059 0.099 0.000 1.402 551 L HN 0.129 nan 8.230 nan 0.000 0.550 552 D N 2.186 122.604 120.400 0.030 0.000 2.371 552 D HA 0.311 4.944 4.640 -0.011 0.000 0.256 552 D C 0.879 177.175 176.300 -0.006 0.000 1.193 552 D CA 0.442 54.452 54.000 0.017 0.000 0.881 552 D CB 1.457 42.273 40.800 0.027 0.000 1.143 552 D HN 0.312 nan 8.370 nan 0.000 0.473 553 G N 2.008 110.799 108.800 -0.015 0.000 3.429 553 G HA2 -0.070 3.884 3.960 -0.011 0.000 0.605 553 G HA3 -0.070 3.884 3.960 -0.011 0.000 0.605 553 G C -0.623 174.239 174.900 -0.064 0.000 0.973 553 G CA -0.694 44.385 45.100 -0.034 0.000 0.774 553 G HN 0.511 nan 8.290 nan 0.000 0.422 554 L N 2.395 123.577 121.223 -0.068 0.000 2.983 554 L HA 0.174 4.507 4.340 -0.011 0.000 0.249 554 L C 0.952 177.776 176.870 -0.077 0.000 0.963 554 L CA -0.552 54.225 54.840 -0.105 0.000 1.011 554 L CB 1.302 43.284 42.059 -0.129 0.000 1.607 554 L HN 0.829 nan 8.230 nan 0.000 0.447 555 D N 0.347 120.689 120.400 -0.096 0.000 4.168 555 D HA -0.272 4.362 4.640 -0.011 0.000 0.368 555 D C 0.405 176.683 176.300 -0.037 0.000 0.580 555 D CA 2.145 56.109 54.000 -0.061 0.000 0.974 555 D CB -0.353 40.423 40.800 -0.041 0.000 0.369 555 D HN 0.514 nan 8.370 nan 0.000 0.296 556 T N 1.690 116.231 114.554 -0.021 0.000 2.881 556 T HA 0.444 4.787 4.350 -0.011 0.000 0.290 556 T C -2.538 172.159 174.700 -0.005 0.000 1.000 556 T CA -1.072 61.020 62.100 -0.013 0.000 0.978 556 T CB 2.008 70.871 68.868 -0.008 0.000 0.997 556 T HN -0.045 nan 8.240 nan 0.000 0.443 557 P HA 0.004 nan 4.420 nan 0.000 0.270 557 P C 0.833 178.139 177.300 0.010 0.000 1.181 557 P CA 0.336 63.438 63.100 0.005 0.000 0.767 557 P CB 0.235 31.938 31.700 0.004 0.000 0.799 558 I N -3.247 117.332 120.570 0.016 0.000 4.068 558 I HA -0.304 3.859 4.170 -0.011 0.000 0.123 558 I C 1.400 177.531 176.117 0.025 0.000 0.404 558 I CA 1.269 62.581 61.300 0.020 0.000 1.250 558 I CB -2.261 35.749 38.000 0.017 0.000 1.109 558 I HN 0.444 nan 8.210 nan 0.000 0.187 559 E N 1.699 121.913 120.200 0.023 0.000 3.729 559 E HA -0.301 4.042 4.350 -0.011 0.000 0.375 559 E C 0.422 177.047 176.600 0.041 0.000 1.613 559 E CA 2.367 58.786 56.400 0.031 0.000 2.018 559 E CB -0.377 29.342 29.700 0.031 0.000 1.753 559 E HN 0.522 nan 8.360 nan 0.000 0.404 560 D N -2.426 118.009 120.400 0.058 0.000 2.823 560 D HA -0.120 4.513 4.640 -0.011 0.000 0.248 560 D C -0.961 175.373 176.300 0.057 0.000 1.076 560 D CA 0.824 54.860 54.000 0.061 0.000 0.760 560 D CB -1.470 39.358 40.800 0.047 0.000 1.065 560 D HN 0.172 nan 8.370 nan 0.000 0.432 561 V N 1.813 121.771 119.914 0.073 0.000 2.382 561 V HA -0.096 4.017 4.120 -0.011 0.000 0.250 561 V C 1.837 177.974 176.094 0.071 0.000 1.069 561 V CA 0.811 63.157 62.300 0.076 0.000 1.130 561 V CB 0.185 32.066 31.823 0.097 0.000 1.165 561 V HN 0.183 nan 8.190 nan 0.000 0.483 562 K N 2.868 123.293 120.400 0.041 0.000 2.367 562 K HA 0.036 4.350 4.320 -0.011 0.000 0.194 562 K C 1.677 178.283 176.600 0.010 0.000 1.027 562 K CA 0.038 56.334 56.287 0.015 0.000 1.075 562 K CB 0.625 33.133 32.500 0.013 0.000 0.845 562 K HN 0.660 nan 8.250 nan 0.000 0.529 563 E N 2.060 122.275 120.200 0.025 0.000 2.097 563 E HA -0.231 4.112 4.350 -0.011 0.000 0.196 563 E C 1.889 178.503 176.600 0.023 0.000 1.000 563 E CA 1.392 57.808 56.400 0.026 0.000 0.804 563 E CB -0.069 29.650 29.700 0.033 0.000 0.740 563 E HN 0.330 nan 8.360 nan 0.000 0.454 564 A N 0.406 123.243 122.820 0.027 0.000 2.076 564 A HA -0.145 4.168 4.320 -0.011 0.000 0.220 564 A C 1.896 179.451 177.584 -0.049 0.000 1.160 564 A CA 0.946 52.987 52.037 0.006 0.000 0.653 564 A CB -0.197 18.816 19.000 0.021 0.000 0.801 564 A HN 0.314 nan 8.150 nan 0.000 0.455 565 L N 0.047 121.237 121.223 -0.056 0.000 2.585 565 L HA 0.081 4.414 4.340 -0.011 0.000 0.226 565 L C 1.421 178.273 176.870 -0.031 0.000 1.113 565 L CA 1.261 56.053 54.840 -0.080 0.000 0.876 565 L CB -0.970 41.016 42.059 -0.122 0.000 1.072 565 L HN 0.513 nan 8.230 nan 0.000 0.468 566 T N -1.226 113.330 114.554 0.003 0.000 2.932 566 T HA 0.389 4.732 4.350 -0.011 0.000 0.312 566 T C 0.328 175.077 174.700 0.082 0.000 1.071 566 T CA -0.062 62.058 62.100 0.034 0.000 1.128 566 T CB 1.433 70.326 68.868 0.041 0.000 0.984 566 T HN 0.263 nan 8.240 nan 0.000 0.549 567 A N 3.905 126.790 122.820 0.108 0.000 3.030 567 A HA 0.586 4.899 4.320 -0.011 0.000 0.335 567 A C -2.729 175.006 177.584 0.251 0.000 1.089 567 A CA -1.641 50.551 52.037 0.258 0.000 0.807 567 A CB 0.178 19.260 19.000 0.137 0.000 1.099 567 A HN 0.684 nan 8.150 nan 0.000 0.474 568 P HA 0.235 nan 4.420 nan 0.000 0.266 568 P C 1.008 178.438 177.300 0.217 0.000 1.215 568 P CA 0.341 63.532 63.100 0.151 0.000 0.763 568 P CB 1.315 33.071 31.700 0.094 0.000 0.806 569 A N 4.219 127.134 122.820 0.158 0.000 2.015 569 A HA -0.168 4.146 4.320 -0.011 0.000 0.219 569 A C 1.841 179.523 177.584 0.163 0.000 1.163 569 A CA 1.089 53.230 52.037 0.174 0.000 0.646 569 A CB -0.736 18.313 19.000 0.082 0.000 0.806 569 A HN 0.563 nan 8.150 nan 0.000 0.448 570 E N 0.081 120.343 120.200 0.104 0.000 2.070 570 E HA -0.295 4.048 4.350 -0.011 0.000 0.197 570 E C 2.123 178.756 176.600 0.055 0.000 1.004 570 E CA 1.608 58.049 56.400 0.068 0.000 0.805 570 E CB -0.357 29.367 29.700 0.041 0.000 0.744 570 E HN 0.772 nan 8.360 nan 0.000 0.451 571 Q N -0.199 119.632 119.800 0.051 0.000 2.096 571 Q HA -0.186 4.148 4.340 -0.011 0.000 0.204 571 Q C 1.961 177.882 176.000 -0.132 0.000 0.982 571 Q CA 1.604 57.379 55.803 -0.047 0.000 0.850 571 Q CB -0.219 28.478 28.738 -0.069 0.000 0.901 571 Q HN 0.386 nan 8.270 nan 0.000 0.422 572 W N 0.359 121.654 121.300 -0.008 0.000 2.381 572 W HA -0.097 4.556 4.660 -0.011 0.000 0.301 572 W C 2.547 179.071 176.519 0.008 0.000 1.205 572 W CA 1.101 58.446 57.345 -0.001 0.000 1.285 572 W CB -0.499 28.958 29.460 -0.005 0.000 1.133 572 W HN 0.154 nan 8.180 nan 0.000 0.521 573 A N 0.418 123.347 122.820 0.181 0.000 1.892 573 A HA -0.318 3.996 4.320 -0.011 0.000 0.218 573 A C 2.037 179.655 177.584 0.057 0.000 1.188 573 A CA 2.119 54.216 52.037 0.101 0.000 0.631 573 A CB -1.209 17.834 19.000 0.071 0.000 0.822 573 A HN 0.401 nan 8.150 nan 0.000 0.447 574 N N 0.057 118.767 118.700 0.018 0.000 2.137 574 N HA -0.178 4.555 4.740 -0.011 0.000 0.190 574 N C 0.655 176.152 175.510 -0.022 0.000 1.017 574 N CA 1.801 54.842 53.050 -0.015 0.000 0.859 574 N CB -0.299 38.159 38.487 -0.048 0.000 1.002 574 N HN 0.424 nan 8.380 nan 0.000 0.428 575 D N -0.302 120.071 120.400 -0.044 0.000 2.347 575 D HA 0.001 4.635 4.640 -0.011 0.000 0.213 575 D C 1.965 178.316 176.300 0.085 0.000 0.985 575 D CA 0.049 54.024 54.000 -0.041 0.000 0.879 575 D CB 0.149 40.847 40.800 -0.171 0.000 0.919 575 D HN 0.050 nan 8.370 nan 0.000 0.526 576 V N 0.827 120.824 119.914 0.137 0.000 2.261 576 V HA -0.248 3.866 4.120 -0.011 0.000 0.246 576 V C 2.479 178.737 176.094 0.273 0.000 1.047 576 V CA 1.709 64.159 62.300 0.250 0.000 1.015 576 V CB -0.300 31.618 31.823 0.157 0.000 0.642 576 V HN 0.105 nan 8.190 nan 0.000 0.446 577 E N 0.423 120.717 120.200 0.157 0.000 2.085 577 E HA -0.259 4.085 4.350 -0.011 0.000 0.194 577 E C 2.030 178.688 176.600 0.098 0.000 0.994 577 E CA 1.802 58.275 56.400 0.122 0.000 0.801 577 E CB -0.499 29.243 29.700 0.069 0.000 0.743 577 E HN 0.673 nan 8.360 nan 0.000 0.453 578 D N -0.568 119.882 120.400 0.083 0.000 2.097 578 D HA -0.164 4.469 4.640 -0.011 0.000 0.197 578 D C 1.442 177.787 176.300 0.074 0.000 0.984 578 D CA 1.021 55.064 54.000 0.072 0.000 0.826 578 D CB -0.115 40.728 40.800 0.071 0.000 0.973 578 D HN 0.144 nan 8.370 nan 0.000 0.460 579 N N 0.910 119.668 118.700 0.096 0.000 2.084 579 N HA -0.136 4.597 4.740 -0.011 0.000 0.190 579 N C 1.961 177.312 175.510 -0.266 0.000 1.030 579 N CA 1.351 54.395 53.050 -0.010 0.000 0.849 579 N CB -0.600 37.952 38.487 0.107 0.000 1.012 579 N HN 0.241 nan 8.380 nan 0.000 0.423 580 A N 1.662 124.403 122.820 -0.130 0.000 1.892 580 A HA -0.219 4.095 4.320 -0.011 0.000 0.218 580 A C 2.099 179.643 177.584 -0.066 0.000 1.188 580 A CA 1.772 53.756 52.037 -0.087 0.000 0.631 580 A CB -0.721 18.416 19.000 0.229 0.000 0.822 580 A HN 0.403 nan 8.150 nan 0.000 0.447 581 E N -2.062 118.127 120.200 -0.018 0.000 2.118 581 E HA -0.222 4.121 4.350 -0.011 0.000 0.195 581 E C 1.896 178.463 176.600 -0.055 0.000 0.992 581 E CA 1.525 57.912 56.400 -0.021 0.000 0.804 581 E CB -0.287 29.410 29.700 -0.005 0.000 0.741 581 E HN 0.798 nan 8.360 nan 0.000 0.458 582 Y N 1.349 121.519 120.300 -0.216 0.000 2.153 582 Y HA -0.151 4.393 4.550 -0.011 0.000 0.289 582 Y C 2.031 177.858 175.900 -0.122 0.000 1.127 582 Y CA 1.238 59.166 58.100 -0.287 0.000 1.131 582 Y CB -0.236 37.767 38.460 -0.763 0.000 0.995 582 Y HN -0.071 nan 8.280 nan 0.000 0.505 583 L N -0.736 120.349 121.223 -0.230 0.000 2.089 583 L HA -0.351 3.982 4.340 -0.011 0.000 0.213 583 L C 2.213 179.012 176.870 -0.119 0.000 1.079 583 L CA 2.049 56.760 54.840 -0.215 0.000 0.758 583 L CB -1.191 40.730 42.059 -0.230 0.000 0.891 583 L HN 0.285 nan 8.230 nan 0.000 0.433 584 T N -0.292 114.219 114.554 -0.071 0.000 2.737 584 T HA -0.212 4.132 4.350 -0.011 0.000 0.265 584 T C 1.583 176.224 174.700 -0.098 0.000 1.038 584 T CA 1.404 63.478 62.100 -0.043 0.000 1.144 584 T CB -0.422 68.432 68.868 -0.023 0.000 0.866 584 T HN 0.267 nan 8.240 nan 0.000 0.434 585 F N 2.141 121.922 119.950 -0.281 0.000 2.087 585 F HA -0.135 4.385 4.527 -0.011 0.000 0.299 585 F C 1.854 177.438 175.800 -0.360 0.000 1.100 585 F CA 1.255 59.049 58.000 -0.344 0.000 1.226 585 F CB -0.645 38.042 39.000 -0.522 0.000 0.983 585 F HN 0.063 nan 8.300 nan 0.000 0.479 586 L N -0.156 120.739 121.223 -0.547 0.000 2.353 586 L HA 0.085 4.419 4.340 -0.011 0.000 0.220 586 L C 1.317 177.951 176.870 -0.393 0.000 1.133 586 L CA 0.652 55.157 54.840 -0.559 0.000 0.798 586 L CB -1.459 40.370 42.059 -0.384 0.000 0.922 586 L HN 0.554 nan 8.230 nan 0.000 0.445 587 G N -0.874 107.758 108.800 -0.280 0.000 2.498 587 G HA2 -0.152 3.802 3.960 -0.011 0.000 0.651 587 G HA3 -0.152 3.802 3.960 -0.011 0.000 0.651 587 G C -2.214 172.629 174.900 -0.095 0.000 1.284 587 G CA -0.305 44.674 45.100 -0.203 0.000 0.950 587 G HN -0.078 nan 8.290 nan 0.000 0.511 588 P HA -0.074 nan 4.420 nan 0.000 0.221 588 P C 1.333 178.625 177.300 -0.013 0.000 1.145 588 P CA 1.049 64.129 63.100 -0.033 0.000 0.795 588 P CB 0.017 31.689 31.700 -0.046 0.000 0.775 589 R N -0.432 120.050 120.500 -0.031 0.000 2.310 589 R HA 0.156 4.490 4.340 -0.011 0.000 0.202 589 R C 0.432 176.728 176.300 -0.007 0.000 0.933 589 R CA -0.141 55.956 56.100 -0.005 0.000 1.054 589 R CB -0.549 29.754 30.300 0.005 0.000 0.985 589 R HN 0.127 nan 8.270 nan 0.000 0.489 590 V N 4.679 124.576 119.914 -0.029 0.000 2.557 590 V HA 0.006 4.119 4.120 -0.011 0.000 0.301 590 V C -1.938 174.128 176.094 -0.047 0.000 1.026 590 V CA -0.861 61.384 62.300 -0.091 0.000 1.137 590 V CB 0.145 31.833 31.823 -0.224 0.000 0.917 590 V HN 0.032 nan 8.190 nan 0.000 0.484 591 P HA 0.117 nan 4.420 nan 0.000 0.268 591 P C 0.702 178.032 177.300 0.049 0.000 1.205 591 P CA 0.178 63.286 63.100 0.013 0.000 0.771 591 P CB 0.734 32.448 31.700 0.024 0.000 0.858 592 A N 3.575 126.471 122.820 0.127 0.000 1.940 592 A HA -0.298 4.015 4.320 -0.011 0.000 0.221 592 A C 1.848 179.516 177.584 0.140 0.000 1.190 592 A CA 2.070 54.210 52.037 0.173 0.000 0.647 592 A CB -1.253 17.815 19.000 0.113 0.000 0.821 592 A HN 0.591 nan 8.150 nan 0.000 0.457 593 E N -0.764 119.494 120.200 0.096 0.000 2.204 593 E HA -0.076 4.267 4.350 -0.011 0.000 0.195 593 E C 1.840 178.487 176.600 0.079 0.000 0.990 593 E CA 1.112 57.568 56.400 0.094 0.000 0.821 593 E CB -0.247 29.513 29.700 0.100 0.000 0.750 593 E HN 0.420 nan 8.360 nan 0.000 0.477 594 V N -0.065 119.854 119.914 0.009 0.000 2.446 594 V HA -0.184 3.930 4.120 -0.011 0.000 0.244 594 V C 1.595 177.685 176.094 -0.005 0.000 1.039 594 V CA 1.641 63.912 62.300 -0.049 0.000 1.045 594 V CB -0.435 31.285 31.823 -0.171 0.000 0.681 594 V HN 0.324 nan 8.190 nan 0.000 0.459 595 H N -0.052 119.073 119.070 0.091 0.000 2.352 595 H HA -0.146 4.403 4.556 -0.011 0.000 0.299 595 H C 2.523 177.951 175.328 0.166 0.000 1.097 595 H CA 1.860 57.988 56.048 0.135 0.000 1.311 595 H CB -0.026 29.788 29.762 0.087 0.000 1.377 595 H HN 0.340 nan 8.280 nan 0.000 0.504 596 S N 0.316 116.157 115.700 0.235 0.000 2.383 596 S HA -0.153 4.310 4.470 -0.011 0.000 0.227 596 S C 1.994 176.677 174.600 0.139 0.000 1.026 596 S CA 0.851 59.145 58.200 0.156 0.000 0.981 596 S CB -0.035 63.235 63.200 0.115 0.000 0.818 596 S HN 0.412 nan 8.310 nan 0.000 0.472 597 Q N -0.104 119.790 119.800 0.158 0.000 2.224 597 Q HA 0.021 4.354 4.340 -0.011 0.000 0.203 597 Q C 1.752 177.869 176.000 0.196 0.000 0.970 597 Q CA 0.916 56.816 55.803 0.163 0.000 0.865 597 Q CB -0.338 28.514 28.738 0.190 0.000 0.922 597 Q HN 0.648 nan 8.270 nan 0.000 0.445 598 F N 1.930 121.929 119.950 0.082 0.000 2.118 598 F HA -0.135 4.385 4.527 -0.011 0.000 0.293 598 F C 1.486 177.336 175.800 0.083 0.000 1.102 598 F CA 0.963 59.016 58.000 0.089 0.000 1.247 598 F CB 0.081 39.138 39.000 0.095 0.000 1.017 598 F HN -0.016 nan 8.300 nan 0.000 0.475 599 D N 1.188 121.593 120.400 0.008 0.000 2.370 599 D HA -0.368 4.265 4.640 -0.011 0.000 0.190 599 D C 2.277 178.501 176.300 -0.126 0.000 1.019 599 D CA 2.066 56.014 54.000 -0.087 0.000 0.869 599 D CB -1.125 39.685 40.800 0.017 0.000 0.944 599 D HN 0.426 nan 8.370 nan 0.000 0.456 600 A N 0.348 123.133 122.820 -0.059 0.000 1.908 600 A HA -0.160 4.153 4.320 -0.011 0.000 0.218 600 A C 2.189 179.718 177.584 -0.091 0.000 1.181 600 A CA 1.468 53.469 52.037 -0.059 0.000 0.627 600 A CB -0.737 18.249 19.000 -0.023 0.000 0.818 600 A HN 0.253 nan 8.150 nan 0.000 0.445 601 L N -0.113 121.043 121.223 -0.111 0.000 2.012 601 L HA -0.165 4.169 4.340 -0.011 0.000 0.210 601 L C 2.184 178.939 176.870 -0.191 0.000 1.073 601 L CA 2.388 57.148 54.840 -0.134 0.000 0.748 601 L CB -0.648 41.367 42.059 -0.073 0.000 0.891 601 L HN 0.381 nan 8.230 nan 0.000 0.431 602 K N -0.670 119.532 120.400 -0.329 0.000 2.057 602 K HA -0.043 4.271 4.320 -0.011 0.000 0.206 602 K C 2.115 178.630 176.600 -0.142 0.000 1.050 602 K CA 1.226 57.352 56.287 -0.267 0.000 0.935 602 K CB -0.442 31.830 32.500 -0.380 0.000 0.715 602 K HN 0.453 nan 8.250 nan 0.000 0.439 603 A N 1.689 124.435 122.820 -0.123 0.000 1.948 603 A HA -0.214 4.100 4.320 -0.011 0.000 0.220 603 A C 2.065 179.609 177.584 -0.068 0.000 1.177 603 A CA 1.488 53.478 52.037 -0.078 0.000 0.636 603 A CB -0.400 18.561 19.000 -0.064 0.000 0.815 603 A HN 0.198 nan 8.150 nan 0.000 0.449 604 R N -1.030 119.422 120.500 -0.079 0.000 2.073 604 R HA 0.018 4.352 4.340 -0.011 0.000 0.229 604 R C 2.009 178.269 176.300 -0.067 0.000 1.120 604 R CA 1.447 57.503 56.100 -0.073 0.000 0.967 604 R CB -0.386 29.860 30.300 -0.090 0.000 0.862 604 R HN 0.588 nan 8.270 nan 0.000 0.436 605 I N 0.225 120.758 120.570 -0.062 0.000 2.252 605 I HA -0.168 3.995 4.170 -0.011 0.000 0.245 605 I C 1.633 177.745 176.117 -0.008 0.000 1.102 605 I CA 0.575 61.865 61.300 -0.017 0.000 1.385 605 I CB -0.234 37.792 38.000 0.044 0.000 1.064 605 I HN 0.010 nan 8.210 nan 0.000 0.414 606 S N 0.000 115.687 115.700 -0.021 0.000 2.498 606 S HA 0.000 4.463 4.470 -0.011 0.000 0.327 606 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 606 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 606 S HN 0.000 nan 8.310 nan 0.000 0.517