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 2uvu_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMIVLFVDFD YFYAQVEEVL NPSLKGKPVV VCVFSGRFED SGAVATANYE DATA SEQUENCE ARKFGVKAGI PIVEAKKILP NAVYLPMRKE VYQQVSSRIM NLLREYSEKI DATA SEQUENCE EIASIDEAYL DISDKVRDYR EAYNLGLEIK NKILEKEKIT VTVGISKNKV DATA SEQUENCE FAKIAADMAK PNGIKVIDDE EVKRLIRELD IADVPGIGNI TAEKLKKLGI DATA SEQUENCE NKLVDTLSIE FDKLKGMIGE AKAKYLISLA RDEYNEPIRT RVRKSIGRIV DATA SEQUENCE TMKRNSRNLE EIKPYLFRAI EESYYKLDKR IPKAIHVVAV TEDLDIVSRG DATA SEQUENCE RTFPHGISKE TAYSESVKLL QKILEEDERK IRAIGVRFSK FIEA 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.325 175.328 -0.005 0.000 0.993 0 H CA 0.000 56.034 56.048 -0.023 0.000 1.023 0 H CB 0.000 29.754 29.762 -0.013 0.000 1.292 1 M N 3.250 122.914 119.600 0.108 0.000 4.047 1 M HA -0.202 4.280 4.480 0.004 0.000 0.157 1 M C -1.706 174.648 176.300 0.090 0.000 1.532 1 M CA 0.891 56.244 55.300 0.089 0.000 1.097 1 M CB -0.200 32.457 32.600 0.095 0.000 1.346 1 M HN 0.587 nan 8.290 nan 0.000 0.190 2 I N 6.648 127.276 120.570 0.097 0.000 2.439 2 I HA 0.501 4.673 4.170 0.004 0.000 0.285 2 I C -0.498 175.725 176.117 0.177 0.000 1.021 2 I CA -1.056 60.332 61.300 0.147 0.000 1.091 2 I CB 1.748 39.812 38.000 0.107 0.000 1.242 2 I HN 0.380 nan 8.210 nan 0.000 0.439 3 V N 7.004 127.049 119.914 0.217 0.000 2.427 3 V HA 0.416 4.538 4.120 0.004 0.000 0.286 3 V C -0.170 176.076 176.094 0.255 0.000 1.034 3 V CA -0.622 61.818 62.300 0.234 0.000 0.893 3 V CB 2.190 34.163 31.823 0.250 0.000 0.982 3 V HN 0.537 nan 8.190 nan 0.000 0.452 4 L N 5.613 126.981 121.223 0.242 0.000 2.318 4 L HA 0.587 4.929 4.340 0.004 0.000 0.277 4 L C -1.147 175.852 176.870 0.214 0.000 1.008 4 L CA -0.502 54.456 54.840 0.196 0.000 0.846 4 L CB 0.994 43.128 42.059 0.125 0.000 1.220 4 L HN 0.666 nan 8.230 nan 0.000 0.423 5 F N 5.982 125.945 119.950 0.022 0.000 2.408 5 F HA 0.597 5.127 4.527 0.004 0.000 0.344 5 F C -0.833 174.868 175.800 -0.165 0.000 1.112 5 F CA -0.523 57.391 58.000 -0.145 0.000 1.096 5 F CB 1.378 40.264 39.000 -0.190 0.000 1.129 5 F HN 0.083 nan 8.300 nan 0.000 0.486 6 V N 5.230 124.602 119.914 -0.903 0.000 2.459 6 V HA 0.339 4.461 4.120 0.004 0.000 0.295 6 V C -1.086 174.341 176.094 -1.112 0.000 1.029 6 V CA -0.675 61.189 62.300 -0.727 0.000 0.874 6 V CB 1.518 33.157 31.823 -0.306 0.000 0.985 6 V HN 0.665 nan 8.190 nan 0.000 0.438 7 D N 3.908 123.854 120.400 -0.756 0.000 2.421 7 D HA 0.417 5.059 4.640 0.004 0.000 0.254 7 D C -0.480 175.704 176.300 -0.192 0.000 1.238 7 D CA -0.457 53.174 54.000 -0.615 0.000 0.919 7 D CB 0.712 41.255 40.800 -0.429 0.000 1.152 7 D HN 0.146 nan 8.370 nan 0.000 0.552 8 F N 1.353 121.107 119.950 -0.327 0.000 2.602 8 F HA 0.126 4.656 4.527 0.004 0.000 0.367 8 F C 1.332 177.087 175.800 -0.075 0.000 1.126 8 F CA -0.386 57.483 58.000 -0.219 0.000 1.321 8 F CB 0.078 38.865 39.000 -0.355 0.000 1.094 8 F HN 0.205 nan 8.300 nan 0.000 0.594 9 D N 2.162 122.664 120.400 0.170 0.000 2.350 9 D HA 0.047 4.689 4.640 0.004 0.000 0.249 9 D C 0.495 176.826 176.300 0.051 0.000 1.119 9 D CA -0.075 54.038 54.000 0.189 0.000 0.886 9 D CB 0.194 41.136 40.800 0.237 0.000 1.195 9 D HN 0.623 nan 8.370 nan 0.000 0.437 10 Y N 0.493 120.938 120.300 0.243 0.000 2.909 10 Y HA -0.377 4.175 4.550 0.003 0.000 0.221 10 Y C 0.947 176.931 175.900 0.141 0.000 1.093 10 Y CA -0.354 57.828 58.100 0.136 0.000 1.007 10 Y CB -2.284 36.250 38.460 0.124 0.000 1.142 10 Y HN 0.293 nan 8.280 nan 0.000 0.545 11 F N 1.060 120.926 119.950 -0.140 0.000 2.064 11 F HA -0.422 4.107 4.527 0.004 0.000 0.292 11 F C 2.127 177.889 175.800 -0.064 0.000 1.107 11 F CA 2.456 60.409 58.000 -0.078 0.000 1.243 11 F CB -0.890 38.168 39.000 0.096 0.000 0.949 11 F HN 0.377 nan 8.300 nan 0.000 0.506 12 Y N -0.228 119.749 120.300 -0.539 0.000 2.200 12 Y HA -0.039 4.513 4.550 0.004 0.000 0.290 12 Y C 2.586 178.109 175.900 -0.628 0.000 1.137 12 Y CA 0.745 58.226 58.100 -1.032 0.000 1.163 12 Y CB -1.756 36.159 38.460 -0.908 0.000 0.988 12 Y HN 0.178 nan 8.280 nan 0.000 0.518 13 A N -0.235 122.525 122.820 -0.100 0.000 1.898 13 A HA -0.234 4.088 4.320 0.004 0.000 0.216 13 A C 2.280 179.874 177.584 0.016 0.000 1.181 13 A CA 1.662 53.727 52.037 0.047 0.000 0.620 13 A CB -0.836 18.317 19.000 0.254 0.000 0.819 13 A HN 0.494 nan 8.150 nan 0.000 0.442 14 Q N -0.254 119.410 119.800 -0.226 0.000 2.170 14 Q HA -0.118 4.224 4.340 0.004 0.000 0.203 14 Q C 1.846 177.717 176.000 -0.216 0.000 0.976 14 Q CA 1.715 57.309 55.803 -0.348 0.000 0.858 14 Q CB -0.162 28.027 28.738 -0.914 0.000 0.907 14 Q HN 0.410 nan 8.270 nan 0.000 0.433 15 V N 1.241 120.965 119.914 -0.316 0.000 2.515 15 V HA -0.189 3.934 4.120 0.004 0.000 0.250 15 V C 2.092 178.137 176.094 -0.083 0.000 1.058 15 V CA 1.657 63.812 62.300 -0.242 0.000 1.064 15 V CB -0.349 31.245 31.823 -0.382 0.000 0.675 15 V HN 0.353 nan 8.190 nan 0.000 0.461 16 E N -0.088 120.081 120.200 -0.052 0.000 2.152 16 E HA -0.171 4.182 4.350 0.004 0.000 0.192 16 E C 2.168 178.785 176.600 0.028 0.000 0.983 16 E CA 0.819 57.239 56.400 0.033 0.000 0.818 16 E CB -0.019 29.719 29.700 0.063 0.000 0.758 16 E HN 0.703 nan 8.360 nan 0.000 0.467 17 E N 0.451 120.667 120.200 0.026 0.000 2.047 17 E HA -0.111 4.241 4.350 0.004 0.000 0.191 17 E C 2.274 178.888 176.600 0.024 0.000 0.987 17 E CA 0.937 57.364 56.400 0.046 0.000 0.799 17 E CB 0.016 29.771 29.700 0.092 0.000 0.752 17 E HN 0.005 nan 8.360 nan 0.000 0.449 18 V N 1.336 121.251 119.914 0.000 0.000 2.324 18 V HA -0.253 3.869 4.120 0.004 0.000 0.250 18 V C 2.097 178.191 176.094 -0.000 0.000 1.060 18 V CA 1.441 63.737 62.300 -0.007 0.000 1.042 18 V CB -0.322 31.483 31.823 -0.030 0.000 0.650 18 V HN 0.215 nan 8.190 nan 0.000 0.450 19 L N -0.205 121.019 121.223 0.003 0.000 2.552 19 L HA 0.125 4.468 4.340 0.004 0.000 0.227 19 L C 1.078 177.956 176.870 0.014 0.000 1.146 19 L CA 1.282 56.127 54.840 0.007 0.000 0.858 19 L CB -0.876 41.189 42.059 0.011 0.000 0.969 19 L HN 0.500 nan 8.230 nan 0.000 0.451 20 N N -1.282 117.429 118.700 0.019 0.000 2.884 20 N HA 0.107 4.849 4.740 0.004 0.000 0.211 20 N C -2.221 173.304 175.510 0.025 0.000 1.442 20 N CA -0.679 52.384 53.050 0.021 0.000 0.757 20 N CB 0.971 39.474 38.487 0.026 0.000 1.461 20 N HN -0.194 nan 8.380 nan 0.000 0.557 21 P HA -0.208 nan 4.420 nan 0.000 0.219 21 P C 1.429 178.744 177.300 0.025 0.000 1.145 21 P CA 1.296 64.410 63.100 0.024 0.000 0.813 21 P CB 0.126 31.837 31.700 0.018 0.000 0.771 22 S N -1.702 114.012 115.700 0.023 0.000 2.500 22 S HA -0.111 4.361 4.470 0.004 0.000 0.239 22 S C 1.717 176.332 174.600 0.025 0.000 0.989 22 S CA 0.884 59.097 58.200 0.022 0.000 0.951 22 S CB -1.370 61.842 63.200 0.020 0.000 0.759 22 S HN 0.146 nan 8.310 nan 0.000 0.523 23 L N 0.370 121.611 121.223 0.031 0.000 2.127 23 L HA 0.129 4.471 4.340 0.004 0.000 0.203 23 L C 1.051 177.944 176.870 0.039 0.000 1.080 23 L CA 0.436 55.297 54.840 0.034 0.000 0.768 23 L CB -0.427 41.657 42.059 0.042 0.000 0.924 23 L HN 0.157 nan 8.230 nan 0.000 0.444 24 K N 1.030 121.458 120.400 0.046 0.000 2.543 24 K HA -0.001 4.321 4.320 0.004 0.000 0.279 24 K C 0.987 177.609 176.600 0.037 0.000 1.001 24 K CA 0.933 57.251 56.287 0.052 0.000 1.088 24 K CB 0.134 32.664 32.500 0.050 0.000 0.863 24 K HN 0.409 nan 8.250 nan 0.000 0.488 25 G N 2.409 111.228 108.800 0.033 0.000 2.313 25 G HA2 -0.265 3.698 3.960 0.004 0.000 0.215 25 G HA3 -0.265 3.698 3.960 0.004 0.000 0.215 25 G C -0.281 174.632 174.900 0.022 0.000 1.023 25 G CA 0.203 45.317 45.100 0.024 0.000 0.626 25 G HN 0.600 nan 8.290 nan 0.000 0.503 26 K N 1.528 121.940 120.400 0.020 0.000 2.208 26 K HA 0.664 4.987 4.320 0.004 0.000 0.247 26 K C -2.937 173.663 176.600 0.001 0.000 0.953 26 K CA -2.163 54.132 56.287 0.014 0.000 0.837 26 K CB 2.788 35.294 32.500 0.010 0.000 1.131 26 K HN 0.107 nan 8.250 nan 0.000 0.431 27 P HA -0.047 nan 4.420 nan 0.000 0.263 27 P C -0.622 176.626 177.300 -0.088 0.000 1.195 27 P CA -0.125 62.953 63.100 -0.036 0.000 0.762 27 P CB 0.590 32.273 31.700 -0.028 0.000 0.799 28 V N 4.866 124.728 119.914 -0.086 0.000 2.588 28 V HA 0.330 4.452 4.120 0.004 0.000 0.304 28 V C 0.191 176.208 176.094 -0.127 0.000 1.042 28 V CA -0.726 61.518 62.300 -0.094 0.000 0.877 28 V CB 2.370 34.192 31.823 -0.002 0.000 0.996 28 V HN 0.262 nan 8.190 nan 0.000 0.425 29 V N 5.014 124.804 119.914 -0.207 0.000 2.443 29 V HA 0.413 4.535 4.120 0.004 0.000 0.293 29 V C -0.204 175.874 176.094 -0.026 0.000 1.021 29 V CA -0.682 61.518 62.300 -0.166 0.000 0.848 29 V CB 1.915 33.535 31.823 -0.338 0.000 0.998 29 V HN 0.606 nan 8.190 nan 0.000 0.424 30 V N 4.491 124.419 119.914 0.023 0.000 2.385 30 V HA 0.325 4.447 4.120 0.004 0.000 0.269 30 V C 0.221 176.353 176.094 0.063 0.000 1.043 30 V CA -0.118 62.241 62.300 0.098 0.000 0.906 30 V CB 0.873 32.779 31.823 0.138 0.000 0.995 30 V HN 1.040 nan 8.190 nan 0.000 0.467 31 C N 4.442 123.769 119.300 0.045 0.000 2.505 31 C HA 0.775 5.237 4.460 0.004 0.000 0.358 31 C C 0.117 174.978 174.990 -0.214 0.000 1.226 31 C CA -0.882 58.013 59.018 -0.206 0.000 1.900 31 C CB 1.621 28.965 27.740 -0.659 0.000 2.306 31 C HN 0.550 nan 8.230 nan 0.000 0.512 32 V N 1.908 121.615 119.914 -0.345 0.000 2.325 32 V HA 0.374 4.496 4.120 0.004 0.000 0.280 32 V C -0.874 175.054 176.094 -0.277 0.000 1.016 32 V CA -0.024 62.180 62.300 -0.160 0.000 0.818 32 V CB -0.028 31.760 31.823 -0.058 0.000 1.019 32 V HN 0.669 nan 8.190 nan 0.000 0.434 33 F N 2.357 122.314 119.950 0.011 0.000 2.385 33 F HA 0.643 5.172 4.527 0.004 0.000 0.336 33 F C 0.807 176.579 175.800 -0.046 0.000 1.100 33 F CA -0.488 57.493 58.000 -0.033 0.000 1.116 33 F CB 1.898 40.884 39.000 -0.023 0.000 1.166 33 F HN 0.451 nan 8.300 nan 0.000 0.511 34 S N 0.263 116.012 115.700 0.081 0.000 2.756 34 S HA 0.441 4.913 4.470 0.004 0.000 0.303 34 S C 0.883 175.470 174.600 -0.023 0.000 1.135 34 S CA -0.471 57.738 58.200 0.016 0.000 1.066 34 S CB 1.009 64.183 63.200 -0.043 0.000 1.008 34 S HN 1.025 nan 8.310 nan 0.000 0.482 35 G N 3.551 112.367 108.800 0.027 0.000 3.197 35 G HA2 -0.449 3.513 3.960 0.004 0.000 0.232 35 G HA3 -0.449 3.513 3.960 0.004 0.000 0.232 35 G C 1.473 176.376 174.900 0.004 0.000 1.074 35 G CA 1.731 46.846 45.100 0.026 0.000 0.721 35 G HN 0.717 nan 8.290 nan 0.000 0.685 36 R N -0.160 120.320 120.500 -0.033 0.000 2.335 36 R HA -0.184 4.159 4.340 0.004 0.000 0.263 36 R C 0.666 177.055 176.300 0.149 0.000 1.110 36 R CA 2.115 58.214 56.100 -0.002 0.000 0.973 36 R CB -0.544 29.684 30.300 -0.120 0.000 0.915 36 R HN 0.906 nan 8.270 nan 0.000 0.466 37 F N -5.287 114.691 119.950 0.048 0.000 2.740 37 F HA 0.225 4.754 4.527 0.004 0.000 0.312 37 F C 0.672 176.501 175.800 0.048 0.000 1.121 37 F CA -0.855 57.168 58.000 0.037 0.000 0.977 37 F CB 0.542 39.557 39.000 0.025 0.000 1.265 37 F HN -0.126 nan 8.300 nan 0.000 0.443 38 E N 0.908 121.290 120.200 0.303 0.000 2.661 38 E HA -0.311 4.042 4.350 0.004 0.000 0.250 38 E C 0.274 176.969 176.600 0.158 0.000 1.059 38 E CA 2.931 59.444 56.400 0.188 0.000 1.381 38 E CB -0.299 29.510 29.700 0.182 0.000 1.255 38 E HN 0.776 nan 8.360 nan 0.000 0.469 39 D N -0.972 119.572 120.400 0.241 0.000 2.837 39 D HA 0.114 4.756 4.640 0.004 0.000 0.340 39 D C -0.914 175.414 176.300 0.046 0.000 1.451 39 D CA 0.471 54.600 54.000 0.215 0.000 0.798 39 D CB 0.283 41.189 40.800 0.176 0.000 1.169 39 D HN 0.182 nan 8.370 nan 0.000 0.449 40 S N 0.026 115.497 115.700 -0.382 0.000 2.548 40 S HA 0.695 5.168 4.470 0.004 0.000 0.277 40 S C 0.692 175.106 174.600 -0.310 0.000 1.315 40 S CA -0.175 57.562 58.200 -0.773 0.000 1.050 40 S CB 2.161 64.341 63.200 -1.700 0.000 0.918 40 S HN 0.351 nan 8.310 nan 0.000 0.497 41 G N 0.568 109.223 108.800 -0.242 0.000 2.359 41 G HA2 0.561 4.523 3.960 0.004 0.000 0.293 41 G HA3 0.561 4.523 3.960 0.004 0.000 0.293 41 G C -1.026 173.771 174.900 -0.171 0.000 1.300 41 G CA -0.405 44.571 45.100 -0.207 0.000 0.888 41 G HN 1.342 nan 8.290 nan 0.000 0.541 42 A N -1.367 121.354 122.820 -0.165 0.000 2.387 42 A HA 0.892 5.214 4.320 0.004 0.000 0.298 42 A C -0.584 176.921 177.584 -0.131 0.000 1.165 42 A CA -0.530 51.440 52.037 -0.113 0.000 0.814 42 A CB 1.737 20.695 19.000 -0.070 0.000 1.357 42 A HN 1.687 nan 8.150 nan 0.000 0.443 43 V N 1.621 121.488 119.914 -0.079 0.000 2.348 43 V HA 0.399 4.521 4.120 0.004 0.000 0.270 43 V C 1.365 177.425 176.094 -0.056 0.000 1.037 43 V CA 0.414 62.676 62.300 -0.063 0.000 0.872 43 V CB 0.388 32.192 31.823 -0.032 0.000 1.002 43 V HN 1.151 nan 8.190 nan 0.000 0.464 44 A N 4.434 127.231 122.820 -0.038 0.000 1.902 44 A HA 0.052 4.374 4.320 0.004 0.000 0.217 44 A C 1.166 178.681 177.584 -0.115 0.000 1.181 44 A CA 2.147 54.162 52.037 -0.035 0.000 0.623 44 A CB 0.009 19.062 19.000 0.090 0.000 0.818 44 A HN 0.810 nan 8.150 nan 0.000 0.443 45 T N -4.650 109.851 114.554 -0.088 0.000 2.636 45 T HA 0.519 4.871 4.350 0.004 0.000 0.298 45 T C -1.805 172.855 174.700 -0.067 0.000 1.849 45 T CA 0.197 62.232 62.100 -0.107 0.000 0.963 45 T CB 0.529 69.294 68.868 -0.171 0.000 1.907 45 T HN 1.535 nan 8.240 nan 0.000 0.496 46 A N 1.803 124.576 122.820 -0.079 0.000 2.594 46 A HA 0.767 5.089 4.320 0.004 0.000 0.295 46 A C -0.626 176.894 177.584 -0.105 0.000 1.071 46 A CA -0.627 51.364 52.037 -0.076 0.000 0.685 46 A CB 1.284 20.224 19.000 -0.100 0.000 1.285 46 A HN 1.128 nan 8.150 nan 0.000 0.405 47 N N -0.270 118.372 118.700 -0.096 0.000 2.317 47 N HA 0.230 4.972 4.740 0.004 0.000 0.245 47 N C 0.322 175.611 175.510 -0.369 0.000 1.294 47 N CA 0.087 52.954 53.050 -0.305 0.000 0.924 47 N CB -0.139 38.158 38.487 -0.316 0.000 1.186 47 N HN 0.556 nan 8.380 nan 0.000 0.495 48 Y N -1.265 118.755 120.300 -0.466 0.000 2.274 48 Y HA -0.050 4.502 4.550 0.003 0.000 0.290 48 Y C 1.124 176.922 175.900 -0.170 0.000 1.145 48 Y CA 1.214 59.151 58.100 -0.272 0.000 1.203 48 Y CB -0.345 37.946 38.460 -0.281 0.000 0.984 48 Y HN 0.562 nan 8.280 nan 0.000 0.533 49 E N -0.346 119.842 120.200 -0.020 0.000 2.428 49 E HA 0.101 4.454 4.350 0.004 0.000 0.199 49 E C 1.164 177.818 176.600 0.091 0.000 1.172 49 E CA 0.635 57.055 56.400 0.034 0.000 0.941 49 E CB -0.298 29.418 29.700 0.025 0.000 1.001 49 E HN 0.460 nan 8.360 nan 0.000 0.501 50 A N -0.866 121.978 122.820 0.040 0.000 1.806 50 A HA 0.197 4.519 4.320 0.004 0.000 0.193 50 A C 1.699 179.310 177.584 0.043 0.000 1.883 50 A CA -0.199 51.896 52.037 0.097 0.000 1.434 50 A CB 0.130 19.119 19.000 -0.019 0.000 1.505 50 A HN 0.084 nan 8.150 nan 0.000 0.364 51 R N 1.041 121.479 120.500 -0.104 0.000 2.193 51 R HA 0.026 4.369 4.340 0.004 0.000 0.229 51 R C 1.759 177.983 176.300 -0.127 0.000 1.110 51 R CA 1.500 57.507 56.100 -0.155 0.000 0.988 51 R CB -0.250 29.849 30.300 -0.335 0.000 0.871 51 R HN 0.533 nan 8.270 nan 0.000 0.458 52 K N -0.921 119.375 120.400 -0.174 0.000 2.103 52 K HA -0.133 4.189 4.320 0.004 0.000 0.207 52 K C 0.527 176.819 176.600 -0.514 0.000 1.048 52 K CA 1.230 57.282 56.287 -0.392 0.000 0.930 52 K CB 0.008 32.132 32.500 -0.627 0.000 0.716 52 K HN 0.185 nan 8.250 nan 0.000 0.444 53 F N -0.452 119.482 119.950 -0.026 0.000 2.668 53 F HA 0.254 4.783 4.527 0.004 0.000 0.297 53 F C 1.282 177.071 175.800 -0.018 0.000 1.124 53 F CA 0.105 58.096 58.000 -0.016 0.000 1.353 53 F CB 0.760 39.755 39.000 -0.008 0.000 0.992 53 F HN 0.140 nan 8.300 nan 0.000 0.524 54 G N -0.202 108.638 108.800 0.066 0.000 2.217 54 G HA2 -0.277 3.686 3.960 0.004 0.000 0.246 54 G HA3 -0.277 3.686 3.960 0.004 0.000 0.246 54 G C 0.162 175.080 174.900 0.030 0.000 0.990 54 G CA -0.027 45.095 45.100 0.037 0.000 0.627 54 G HN 0.127 nan 8.290 nan 0.000 0.522 55 V N 2.645 122.591 119.914 0.054 0.000 2.485 55 V HA 0.500 4.622 4.120 0.004 0.000 0.287 55 V C 0.690 176.769 176.094 -0.026 0.000 1.022 55 V CA 1.324 63.641 62.300 0.029 0.000 1.067 55 V CB 0.602 32.452 31.823 0.045 0.000 0.967 55 V HN 0.830 nan 8.190 nan 0.000 0.479 56 K N 3.986 124.367 120.400 -0.032 0.000 2.556 56 K HA 0.841 5.163 4.320 0.004 0.000 0.289 56 K C -0.692 175.875 176.600 -0.056 0.000 1.040 56 K CA -0.922 55.327 56.287 -0.064 0.000 0.894 56 K CB 1.527 33.982 32.500 -0.075 0.000 1.547 56 K HN 0.506 nan 8.250 nan 0.000 0.417 57 A N 0.054 122.831 122.820 -0.073 0.000 2.546 57 A HA 0.437 4.759 4.320 0.004 0.000 0.243 57 A C 1.223 178.776 177.584 -0.051 0.000 1.063 57 A CA 1.251 53.246 52.037 -0.070 0.000 0.757 57 A CB -1.238 17.709 19.000 -0.088 0.000 0.991 57 A HN 1.438 nan 8.150 nan 0.000 0.503 58 G N 1.439 110.212 108.800 -0.045 0.000 2.308 58 G HA2 -0.227 3.736 3.960 0.004 0.000 0.221 58 G HA3 -0.227 3.736 3.960 0.004 0.000 0.221 58 G C 0.497 175.382 174.900 -0.026 0.000 1.032 58 G CA 0.146 45.225 45.100 -0.035 0.000 0.623 58 G HN 1.932 nan 8.290 nan 0.000 0.506 59 I N 0.503 121.061 120.570 -0.020 0.000 2.720 59 I HA 0.630 4.802 4.170 0.004 0.000 0.287 59 I C -2.251 173.862 176.117 -0.008 0.000 1.090 59 I CA -2.128 59.168 61.300 -0.007 0.000 1.384 59 I CB 0.948 38.952 38.000 0.006 0.000 1.420 59 I HN -0.068 nan 8.210 nan 0.000 0.575 60 P HA 0.160 nan 4.420 nan 0.000 0.266 60 P C 0.720 178.025 177.300 0.007 0.000 1.195 60 P CA 0.060 63.161 63.100 0.003 0.000 0.768 60 P CB 0.666 32.387 31.700 0.036 0.000 0.838 61 I N 2.591 123.144 120.570 -0.028 0.000 2.194 61 I HA -0.273 3.899 4.170 0.004 0.000 0.246 61 I C 2.204 178.328 176.117 0.013 0.000 1.093 61 I CA 1.557 62.846 61.300 -0.018 0.000 1.355 61 I CB -0.797 37.132 38.000 -0.118 0.000 1.046 61 I HN 0.238 nan 8.210 nan 0.000 0.413 62 V N -0.899 119.037 119.914 0.038 0.000 2.278 62 V HA -0.278 3.844 4.120 0.004 0.000 0.251 62 V C 2.383 178.499 176.094 0.037 0.000 1.062 62 V CA 1.906 64.236 62.300 0.049 0.000 1.038 62 V CB -0.978 30.912 31.823 0.111 0.000 0.646 62 V HN 0.359 nan 8.190 nan 0.000 0.447 63 E N 1.113 121.342 120.200 0.047 0.000 2.085 63 E HA -0.170 4.183 4.350 0.004 0.000 0.194 63 E C 2.448 179.086 176.600 0.064 0.000 0.994 63 E CA 1.862 58.289 56.400 0.046 0.000 0.801 63 E CB -0.813 28.912 29.700 0.041 0.000 0.743 63 E HN 0.714 nan 8.360 nan 0.000 0.453 64 A N 1.978 124.854 122.820 0.093 0.000 1.883 64 A HA -0.213 4.110 4.320 0.004 0.000 0.217 64 A C 2.050 179.751 177.584 0.195 0.000 1.186 64 A CA 1.652 53.789 52.037 0.167 0.000 0.624 64 A CB -0.327 18.841 19.000 0.280 0.000 0.822 64 A HN 0.040 nan 8.150 nan 0.000 0.444 65 K N 0.274 120.733 120.400 0.100 0.000 2.074 65 K HA -0.187 4.136 4.320 0.004 0.000 0.209 65 K C 1.917 178.540 176.600 0.039 0.000 1.048 65 K CA 1.900 58.188 56.287 0.001 0.000 0.926 65 K CB -0.452 31.957 32.500 -0.152 0.000 0.713 65 K HN 0.592 nan 8.250 nan 0.000 0.444 66 K N 0.504 120.921 120.400 0.029 0.000 2.002 66 K HA -0.064 4.258 4.320 0.004 0.000 0.209 66 K C 2.369 178.981 176.600 0.019 0.000 1.048 66 K CA 1.381 57.680 56.287 0.019 0.000 0.930 66 K CB -0.277 32.233 32.500 0.018 0.000 0.714 66 K HN 0.073 nan 8.250 nan 0.000 0.438 67 I N 0.908 121.498 120.570 0.033 0.000 2.127 67 I HA -0.232 3.940 4.170 0.004 0.000 0.241 67 I C 1.113 177.206 176.117 -0.041 0.000 1.075 67 I CA 1.216 62.523 61.300 0.012 0.000 1.334 67 I CB -0.065 37.965 38.000 0.051 0.000 1.040 67 I HN 0.095 nan 8.210 nan 0.000 0.405 68 L N 2.050 123.284 121.223 0.019 0.000 2.581 68 L HA 0.229 4.571 4.340 0.004 0.000 0.241 68 L C -1.460 175.487 176.870 0.129 0.000 1.265 68 L CA -1.175 53.663 54.840 -0.004 0.000 0.954 68 L CB 0.600 42.642 42.059 -0.028 0.000 1.269 68 L HN -0.035 nan 8.230 nan 0.000 0.475 69 P HA -0.182 nan 4.420 nan 0.000 0.217 69 P C 0.325 177.706 177.300 0.135 0.000 1.148 69 P CA 1.384 64.535 63.100 0.086 0.000 0.828 69 P CB 0.260 31.974 31.700 0.023 0.000 0.783 70 N N -0.384 118.371 118.700 0.092 0.000 2.380 70 N HA 0.275 5.018 4.740 0.004 0.000 0.255 70 N C 0.498 176.057 175.510 0.082 0.000 1.158 70 N CA -0.073 53.028 53.050 0.086 0.000 0.878 70 N CB 0.623 39.127 38.487 0.029 0.000 1.138 70 N HN 0.154 nan 8.380 nan 0.000 0.509 71 A N 0.147 123.040 122.820 0.120 0.000 2.242 71 A HA 0.556 4.878 4.320 0.004 0.000 0.304 71 A C 0.268 177.806 177.584 -0.077 0.000 1.100 71 A CA -0.401 51.602 52.037 -0.058 0.000 0.860 71 A CB 0.780 19.639 19.000 -0.234 0.000 1.168 71 A HN 0.017 nan 8.150 nan 0.000 0.503 72 V N 0.798 120.611 119.914 -0.168 0.000 2.406 72 V HA 0.236 4.358 4.120 0.004 0.000 0.272 72 V C -1.225 174.738 176.094 -0.218 0.000 1.043 72 V CA 0.072 62.330 62.300 -0.071 0.000 0.915 72 V CB -0.099 31.713 31.823 -0.018 0.000 0.988 72 V HN 0.618 nan 8.190 nan 0.000 0.466 73 Y N 5.493 125.854 120.300 0.100 0.000 2.369 73 Y HA 0.584 5.137 4.550 0.004 0.000 0.337 73 Y C 0.125 176.142 175.900 0.195 0.000 0.961 73 Y CA -0.536 57.657 58.100 0.154 0.000 1.186 73 Y CB 1.035 39.620 38.460 0.210 0.000 1.139 73 Y HN 0.423 nan 8.280 nan 0.000 0.494 74 L N 6.512 127.894 121.223 0.265 0.000 2.325 74 L HA 0.548 4.890 4.340 0.004 0.000 0.278 74 L C -2.331 174.741 176.870 0.336 0.000 1.023 74 L CA -2.307 52.686 54.840 0.254 0.000 0.811 74 L CB 2.153 44.313 42.059 0.167 0.000 1.249 74 L HN 0.352 nan 8.230 nan 0.000 0.431 75 P HA 0.058 nan 4.420 nan 0.000 0.276 75 P C -0.643 176.814 177.300 0.261 0.000 1.230 75 P CA -0.517 62.812 63.100 0.381 0.000 0.776 75 P CB 1.163 33.022 31.700 0.265 0.000 0.888 76 M N 4.398 124.151 119.600 0.255 0.000 2.252 76 M HA 0.032 4.514 4.480 0.004 0.000 0.348 76 M C 0.361 176.711 176.300 0.085 0.000 1.334 76 M CA 0.595 56.062 55.300 0.279 0.000 1.071 76 M CB 0.058 32.834 32.600 0.293 0.000 1.763 76 M HN 0.281 nan 8.290 nan 0.000 0.452 77 R N 3.785 124.183 120.500 -0.171 0.000 3.194 77 R HA 0.093 4.435 4.340 0.004 0.000 0.306 77 R C 0.661 176.347 176.300 -1.022 0.000 1.347 77 R CA -0.397 55.397 56.100 -0.510 0.000 1.540 77 R CB 0.426 30.447 30.300 -0.465 0.000 1.352 77 R HN 0.683 nan 8.270 nan 0.000 0.621 78 K N 1.605 121.672 120.400 -0.556 0.000 2.071 78 K HA -0.272 4.050 4.320 0.004 0.000 0.217 78 K C 1.208 177.584 176.600 -0.374 0.000 1.054 78 K CA 2.014 58.059 56.287 -0.404 0.000 0.937 78 K CB 0.166 32.620 32.500 -0.076 0.000 0.719 78 K HN 0.189 nan 8.250 nan 0.000 0.454 79 E N -0.486 119.560 120.200 -0.257 0.000 2.070 79 E HA -0.165 4.187 4.350 0.004 0.000 0.197 79 E C 1.965 178.448 176.600 -0.195 0.000 1.004 79 E CA 1.514 57.822 56.400 -0.154 0.000 0.805 79 E CB -0.286 29.361 29.700 -0.088 0.000 0.744 79 E HN 0.150 nan 8.360 nan 0.000 0.451 80 V N 0.085 119.792 119.914 -0.345 0.000 2.295 80 V HA -0.289 3.833 4.120 0.004 0.000 0.246 80 V C 1.831 177.805 176.094 -0.199 0.000 1.049 80 V CA 2.041 64.170 62.300 -0.285 0.000 1.024 80 V CB -0.684 30.929 31.823 -0.350 0.000 0.648 80 V HN 0.406 nan 8.190 nan 0.000 0.447 81 Y N -0.253 119.930 120.300 -0.195 0.000 2.207 81 Y HA -0.309 4.243 4.550 0.004 0.000 0.287 81 Y C 2.743 178.679 175.900 0.059 0.000 1.156 81 Y CA 1.237 59.202 58.100 -0.226 0.000 1.182 81 Y CB -0.353 37.772 38.460 -0.560 0.000 0.979 81 Y HN 0.262 nan 8.280 nan 0.000 0.521 82 Q N 1.236 121.109 119.800 0.123 0.000 2.020 82 Q HA -0.259 4.083 4.340 0.004 0.000 0.202 82 Q C 2.233 178.319 176.000 0.142 0.000 0.982 82 Q CA 2.122 58.019 55.803 0.157 0.000 0.838 82 Q CB -0.426 28.356 28.738 0.074 0.000 0.899 82 Q HN 0.402 nan 8.270 nan 0.000 0.423 83 Q N -0.477 119.368 119.800 0.075 0.000 2.096 83 Q HA -0.106 4.236 4.340 0.004 0.000 0.204 83 Q C 1.913 177.970 176.000 0.096 0.000 0.982 83 Q CA 2.186 58.027 55.803 0.064 0.000 0.850 83 Q CB -0.563 28.190 28.738 0.025 0.000 0.901 83 Q HN 0.331 nan 8.270 nan 0.000 0.422 84 V N 0.197 120.186 119.914 0.125 0.000 2.427 84 V HA -0.215 3.907 4.120 0.004 0.000 0.248 84 V C 2.400 178.631 176.094 0.228 0.000 1.051 84 V CA 1.740 64.127 62.300 0.145 0.000 1.048 84 V CB -0.967 30.940 31.823 0.140 0.000 0.666 84 V HN 0.493 nan 8.190 nan 0.000 0.456 85 S N -0.077 115.844 115.700 0.369 0.000 2.368 85 S HA -0.212 4.260 4.470 0.004 0.000 0.225 85 S C 2.246 176.974 174.600 0.214 0.000 1.030 85 S CA 2.114 60.545 58.200 0.386 0.000 0.999 85 S CB -0.302 63.134 63.200 0.392 0.000 0.844 85 S HN 0.636 nan 8.310 nan 0.000 0.459 86 S N 1.011 116.803 115.700 0.153 0.000 2.368 86 S HA -0.064 4.409 4.470 0.004 0.000 0.225 86 S C 1.922 176.569 174.600 0.078 0.000 1.030 86 S CA 1.117 59.377 58.200 0.099 0.000 0.999 86 S CB -0.394 62.850 63.200 0.074 0.000 0.844 86 S HN 0.507 nan 8.310 nan 0.000 0.459 87 R N 0.729 121.271 120.500 0.070 0.000 2.070 87 R HA -0.007 4.335 4.340 0.004 0.000 0.233 87 R C 2.210 178.526 176.300 0.027 0.000 1.137 87 R CA 1.507 57.632 56.100 0.041 0.000 0.945 87 R CB -0.405 29.913 30.300 0.031 0.000 0.845 87 R HN 0.373 nan 8.270 nan 0.000 0.430 88 I N 0.210 120.785 120.570 0.008 0.000 2.286 88 I HA -0.295 3.877 4.170 0.004 0.000 0.248 88 I C 2.240 178.374 176.117 0.027 0.000 1.115 88 I CA 0.877 62.143 61.300 -0.056 0.000 1.392 88 I CB -0.112 37.724 38.000 -0.273 0.000 1.065 88 I HN 0.257 nan 8.210 nan 0.000 0.418 89 M N 0.692 120.346 119.600 0.091 0.000 2.117 89 M HA -0.176 4.306 4.480 0.004 0.000 0.262 89 M C 1.915 178.257 176.300 0.071 0.000 1.065 89 M CA 1.723 57.080 55.300 0.096 0.000 1.114 89 M CB -0.922 31.735 32.600 0.096 0.000 1.361 89 M HN 0.158 nan 8.290 nan 0.000 0.408 90 N N 0.104 118.840 118.700 0.061 0.000 2.025 90 N HA -0.157 4.585 4.740 0.004 0.000 0.194 90 N C 1.608 177.161 175.510 0.071 0.000 1.044 90 N CA 1.212 54.297 53.050 0.058 0.000 0.851 90 N CB -0.942 37.573 38.487 0.046 0.000 1.036 90 N HN 0.264 nan 8.380 nan 0.000 0.422 91 L N 1.065 122.323 121.223 0.060 0.000 2.197 91 L HA -0.097 4.245 4.340 0.004 0.000 0.215 91 L C 1.726 178.675 176.870 0.132 0.000 1.095 91 L CA 1.352 56.240 54.840 0.080 0.000 0.764 91 L CB -0.448 41.627 42.059 0.027 0.000 0.897 91 L HN 0.199 nan 8.230 nan 0.000 0.436 92 L N -1.649 119.625 121.223 0.086 0.000 2.307 92 L HA -0.007 4.335 4.340 0.004 0.000 0.211 92 L C 2.588 179.571 176.870 0.189 0.000 1.099 92 L CA 0.265 55.152 54.840 0.079 0.000 0.816 92 L CB -0.388 41.682 42.059 0.019 0.000 0.952 92 L HN 0.186 nan 8.230 nan 0.000 0.455 93 R N 0.278 120.867 120.500 0.148 0.000 2.105 93 R HA -0.148 4.194 4.340 0.004 0.000 0.239 93 R C 1.771 178.163 176.300 0.153 0.000 1.135 93 R CA 0.999 57.177 56.100 0.131 0.000 0.967 93 R CB -0.339 30.013 30.300 0.088 0.000 0.861 93 R HN 0.319 nan 8.270 nan 0.000 0.442 94 E N 0.170 120.476 120.200 0.177 0.000 2.393 94 E HA -0.192 4.161 4.350 0.004 0.000 0.201 94 E C 0.973 177.539 176.600 -0.056 0.000 1.025 94 E CA 1.253 57.687 56.400 0.056 0.000 0.856 94 E CB -0.206 29.506 29.700 0.020 0.000 0.771 94 E HN 0.527 nan 8.360 nan 0.000 0.526 95 Y N -0.913 119.401 120.300 0.024 0.000 2.467 95 Y HA 0.332 4.884 4.550 0.004 0.000 0.250 95 Y C 0.667 176.588 175.900 0.035 0.000 1.155 95 Y CA -0.235 57.881 58.100 0.027 0.000 1.249 95 Y CB 0.983 39.459 38.460 0.026 0.000 1.146 95 Y HN -0.177 nan 8.280 nan 0.000 0.524 96 S N -0.898 114.901 115.700 0.166 0.000 2.675 96 S HA 0.213 4.685 4.470 0.004 0.000 0.297 96 S C -0.265 174.390 174.600 0.092 0.000 1.035 96 S CA -0.627 57.643 58.200 0.116 0.000 0.852 96 S CB 0.505 63.783 63.200 0.130 0.000 1.051 96 S HN 0.115 nan 8.310 nan 0.000 0.451 97 E N 2.449 122.691 120.200 0.070 0.000 2.076 97 E HA 0.114 4.466 4.350 0.004 0.000 0.190 97 E C -0.009 176.631 176.600 0.066 0.000 0.979 97 E CA 0.909 57.345 56.400 0.059 0.000 0.807 97 E CB -0.081 29.645 29.700 0.045 0.000 0.761 97 E HN 0.550 nan 8.360 nan 0.000 0.454 98 K N 1.263 121.706 120.400 0.072 0.000 2.167 98 K HA 0.258 4.580 4.320 0.004 0.000 0.275 98 K C -0.544 176.116 176.600 0.100 0.000 1.103 98 K CA 0.050 56.383 56.287 0.077 0.000 0.963 98 K CB 0.092 32.637 32.500 0.074 0.000 1.243 98 K HN 0.128 nan 8.250 nan 0.000 0.407 99 I N 1.675 122.304 120.570 0.098 0.000 2.478 99 I HA 0.153 4.325 4.170 0.004 0.000 0.287 99 I C -1.192 174.998 176.117 0.121 0.000 1.042 99 I CA -0.606 60.764 61.300 0.117 0.000 1.067 99 I CB 1.521 39.583 38.000 0.102 0.000 1.233 99 I HN 0.508 nan 8.210 nan 0.000 0.431 100 E N 8.227 128.529 120.200 0.171 0.000 2.129 100 E HA 0.410 4.762 4.350 0.004 0.000 0.268 100 E C -1.205 175.517 176.600 0.204 0.000 0.900 100 E CA -0.677 55.832 56.400 0.182 0.000 0.755 100 E CB 1.242 31.061 29.700 0.198 0.000 1.117 100 E HN 0.614 nan 8.360 nan 0.000 0.410 101 I N 5.278 125.925 120.570 0.129 0.000 2.281 101 I HA 0.141 4.313 4.170 0.004 0.000 0.293 101 I C 1.152 177.327 176.117 0.096 0.000 1.085 101 I CA -0.207 61.143 61.300 0.083 0.000 1.257 101 I CB 1.083 39.114 38.000 0.051 0.000 1.430 101 I HN 0.711 nan 8.210 nan 0.000 0.489 102 A N 4.964 127.859 122.820 0.126 0.000 1.873 102 A HA -0.053 4.269 4.320 0.004 0.000 0.215 102 A C 1.298 178.914 177.584 0.054 0.000 1.186 102 A CA 1.768 53.891 52.037 0.144 0.000 0.616 102 A CB -0.107 19.037 19.000 0.241 0.000 0.823 102 A HN 0.713 nan 8.150 nan 0.000 0.442 103 S N -2.935 112.754 115.700 -0.019 0.000 2.929 103 S HA 0.427 4.899 4.470 0.004 0.000 0.311 103 S C 0.496 175.049 174.600 -0.078 0.000 1.213 103 S CA 0.130 58.311 58.200 -0.032 0.000 0.908 103 S CB 0.016 63.192 63.200 -0.039 0.000 1.287 103 S HN 0.562 nan 8.310 nan 0.000 0.594 104 I N 1.784 122.336 120.570 -0.030 0.000 3.083 104 I HA 0.069 4.242 4.170 0.004 0.000 0.273 104 I C 0.461 176.409 176.117 -0.281 0.000 1.297 104 I CA 1.750 63.060 61.300 0.017 0.000 1.452 104 I CB -0.360 37.799 38.000 0.266 0.000 1.078 104 I HN 0.738 nan 8.210 nan 0.000 0.484 105 D N -1.544 118.500 120.400 -0.595 0.000 2.704 105 D HA 0.125 4.767 4.640 0.004 0.000 0.291 105 D C -0.149 175.278 176.300 -1.456 0.000 1.610 105 D CA -0.208 52.892 54.000 -1.500 0.000 0.807 105 D CB -0.508 39.498 40.800 -1.325 0.000 1.233 105 D HN 0.318 nan 8.370 nan 0.000 0.445 106 E N 0.032 119.754 120.200 -0.797 0.000 2.288 106 E HA 0.800 5.152 4.350 0.004 0.000 0.268 106 E C -1.367 174.998 176.600 -0.391 0.000 0.885 106 E CA -1.144 54.910 56.400 -0.577 0.000 0.767 106 E CB 2.442 32.045 29.700 -0.160 0.000 1.220 106 E HN 0.273 nan 8.360 nan 0.000 0.427 107 A N 2.232 124.801 122.820 -0.418 0.000 2.582 107 A HA 0.519 4.841 4.320 0.004 0.000 0.297 107 A C -2.120 175.385 177.584 -0.131 0.000 1.059 107 A CA -0.648 51.294 52.037 -0.159 0.000 0.705 107 A CB 0.633 19.567 19.000 -0.109 0.000 1.279 107 A HN 0.527 nan 8.150 nan 0.000 0.404 108 Y N 1.054 121.457 120.300 0.171 0.000 2.377 108 Y HA 0.683 5.236 4.550 0.004 0.000 0.339 108 Y C 0.038 176.015 175.900 0.127 0.000 1.011 108 Y CA -0.568 57.659 58.100 0.212 0.000 1.093 108 Y CB 1.913 40.494 38.460 0.202 0.000 1.201 108 Y HN 0.590 nan 8.280 nan 0.000 0.455 109 L N 3.242 124.628 121.223 0.271 0.000 2.346 109 L HA 0.393 4.736 4.340 0.004 0.000 0.276 109 L C -0.748 176.234 176.870 0.187 0.000 1.006 109 L CA -0.826 54.125 54.840 0.186 0.000 0.817 109 L CB 1.693 43.830 42.059 0.130 0.000 1.272 109 L HN 0.586 nan 8.230 nan 0.000 0.421 110 D N 4.107 124.597 120.400 0.150 0.000 2.443 110 D HA 0.247 4.889 4.640 0.004 0.000 0.221 110 D C 0.397 176.765 176.300 0.113 0.000 1.097 110 D CA -0.304 53.772 54.000 0.127 0.000 0.865 110 D CB 1.124 41.985 40.800 0.100 0.000 1.034 110 D HN 0.517 nan 8.370 nan 0.000 0.511 111 I N 0.610 121.250 120.570 0.118 0.000 3.889 111 I HA 0.169 4.341 4.170 0.004 0.000 0.332 111 I C 1.044 177.210 176.117 0.082 0.000 1.493 111 I CA -0.565 60.798 61.300 0.106 0.000 1.158 111 I CB 0.341 38.415 38.000 0.122 0.000 1.117 111 I HN -0.039 nan 8.210 nan 0.000 0.411 112 S N 2.743 118.487 115.700 0.074 0.000 2.404 112 S HA -0.236 4.236 4.470 0.004 0.000 0.216 112 S C 0.709 175.332 174.600 0.039 0.000 1.039 112 S CA 2.047 60.278 58.200 0.051 0.000 1.062 112 S CB -0.778 62.455 63.200 0.055 0.000 1.046 112 S HN 0.836 nan 8.310 nan 0.000 0.415 113 D N 0.620 121.044 120.400 0.040 0.000 2.662 113 D HA 0.340 4.982 4.640 0.004 0.000 0.228 113 D C 0.187 176.508 176.300 0.035 0.000 1.093 113 D CA 0.052 54.071 54.000 0.032 0.000 1.075 113 D CB 0.240 41.058 40.800 0.030 0.000 1.122 113 D HN 0.187 nan 8.370 nan 0.000 0.475 114 K N 0.309 120.731 120.400 0.037 0.000 2.400 114 K HA 0.207 4.529 4.320 0.004 0.000 0.155 114 K C -1.335 175.290 176.600 0.042 0.000 1.954 114 K CA 0.006 56.318 56.287 0.042 0.000 1.203 114 K CB 1.474 34.011 32.500 0.062 0.000 2.000 114 K HN 0.194 nan 8.250 nan 0.000 0.532 115 V N 2.177 122.114 119.914 0.039 0.000 2.966 115 V HA 0.495 4.618 4.120 0.004 0.000 0.288 115 V C -1.489 174.615 176.094 0.015 0.000 1.380 115 V CA -0.907 61.415 62.300 0.037 0.000 0.966 115 V CB 1.716 33.577 31.823 0.063 0.000 1.115 115 V HN 0.177 nan 8.190 nan 0.000 0.436 116 R N 2.864 123.365 120.500 0.001 0.000 2.652 116 R HA 0.379 4.721 4.340 0.004 0.000 0.272 116 R C 0.164 176.439 176.300 -0.042 0.000 1.162 116 R CA 0.374 56.455 56.100 -0.031 0.000 1.199 116 R CB 0.176 30.458 30.300 -0.029 0.000 1.166 116 R HN 1.163 nan 8.270 nan 0.000 0.597 117 D N -1.075 119.267 120.400 -0.097 0.000 2.896 117 D HA -0.314 4.328 4.640 0.004 0.000 0.145 117 D C 0.272 176.535 176.300 -0.061 0.000 1.364 117 D CA 1.193 55.115 54.000 -0.129 0.000 0.458 117 D CB -0.302 40.470 40.800 -0.047 0.000 0.821 117 D HN 0.515 nan 8.370 nan 0.000 0.606 118 Y N -1.298 119.023 120.300 0.035 0.000 2.314 118 Y HA 0.088 4.640 4.550 0.003 0.000 0.294 118 Y C 2.768 178.718 175.900 0.082 0.000 1.119 118 Y CA 1.162 59.300 58.100 0.063 0.000 1.179 118 Y CB -0.606 37.885 38.460 0.053 0.000 1.025 118 Y HN 0.488 nan 8.280 nan 0.000 0.541 119 R N 0.902 121.522 120.500 0.201 0.000 2.117 119 R HA -0.217 4.125 4.340 0.004 0.000 0.243 119 R C 1.566 177.959 176.300 0.154 0.000 1.143 119 R CA 2.094 58.265 56.100 0.118 0.000 0.968 119 R CB -0.120 30.211 30.300 0.051 0.000 0.863 119 R HN 0.441 nan 8.270 nan 0.000 0.444 120 E N -0.542 119.741 120.200 0.139 0.000 2.230 120 E HA -0.060 4.292 4.350 0.004 0.000 0.192 120 E C 1.914 178.613 176.600 0.165 0.000 0.987 120 E CA 0.648 57.125 56.400 0.129 0.000 0.841 120 E CB 0.045 29.796 29.700 0.084 0.000 0.783 120 E HN 0.438 nan 8.360 nan 0.000 0.481 121 A N 1.156 124.098 122.820 0.204 0.000 1.845 121 A HA -0.244 4.078 4.320 0.004 0.000 0.215 121 A C 1.994 179.704 177.584 0.209 0.000 1.195 121 A CA 1.457 53.624 52.037 0.218 0.000 0.616 121 A CB -1.005 18.187 19.000 0.320 0.000 0.832 121 A HN 0.361 nan 8.150 nan 0.000 0.443 122 Y N 1.020 121.384 120.300 0.107 0.000 2.030 122 Y HA -0.371 4.181 4.550 0.003 0.000 0.272 122 Y C 2.328 178.260 175.900 0.053 0.000 1.185 122 Y CA 2.561 60.700 58.100 0.065 0.000 1.120 122 Y CB -0.673 37.819 38.460 0.053 0.000 0.955 122 Y HN 0.498 nan 8.280 nan 0.000 0.495 123 N N -0.404 118.480 118.700 0.308 0.000 2.061 123 N HA -0.267 4.475 4.740 0.004 0.000 0.193 123 N C 1.681 177.252 175.510 0.101 0.000 1.030 123 N CA 1.253 54.418 53.050 0.192 0.000 0.856 123 N CB -0.428 38.158 38.487 0.165 0.000 1.023 123 N HN 0.287 nan 8.380 nan 0.000 0.424 124 L N 1.203 122.493 121.223 0.112 0.000 2.079 124 L HA -0.071 4.271 4.340 0.004 0.000 0.210 124 L C 2.014 178.901 176.870 0.030 0.000 1.081 124 L CA 1.658 56.567 54.840 0.115 0.000 0.752 124 L CB -1.189 40.955 42.059 0.142 0.000 0.896 124 L HN 0.159 nan 8.230 nan 0.000 0.433 125 G N -0.236 108.548 108.800 -0.026 0.000 2.552 125 G HA2 -0.277 3.685 3.960 0.004 0.000 0.216 125 G HA3 -0.277 3.685 3.960 0.004 0.000 0.216 125 G C 1.574 176.389 174.900 -0.141 0.000 1.240 125 G CA 1.107 46.133 45.100 -0.124 0.000 0.796 125 G HN 0.452 nan 8.290 nan 0.000 0.568 126 L N 0.667 121.799 121.223 -0.152 0.000 2.089 126 L HA -0.183 4.159 4.340 0.004 0.000 0.213 126 L C 2.781 179.624 176.870 -0.044 0.000 1.079 126 L CA 1.770 56.550 54.840 -0.099 0.000 0.758 126 L CB -0.493 41.542 42.059 -0.041 0.000 0.891 126 L HN 0.350 nan 8.230 nan 0.000 0.433 127 E N 1.222 121.421 120.200 -0.001 0.000 2.031 127 E HA -0.218 4.135 4.350 0.004 0.000 0.193 127 E C 2.045 178.637 176.600 -0.013 0.000 0.994 127 E CA 1.639 58.069 56.400 0.051 0.000 0.800 127 E CB -0.360 29.431 29.700 0.152 0.000 0.752 127 E HN 0.437 nan 8.360 nan 0.000 0.447 128 I N 0.531 121.011 120.570 -0.150 0.000 2.208 128 I HA -0.329 3.843 4.170 0.004 0.000 0.245 128 I C 2.429 178.415 176.117 -0.218 0.000 1.097 128 I CA 1.630 62.710 61.300 -0.368 0.000 1.363 128 I CB -0.363 37.354 38.000 -0.473 0.000 1.051 128 I HN 0.148 nan 8.210 nan 0.000 0.413 129 K N 0.486 120.792 120.400 -0.158 0.000 1.991 129 K HA -0.188 4.134 4.320 0.004 0.000 0.212 129 K C 1.986 178.531 176.600 -0.091 0.000 1.049 129 K CA 1.488 57.700 56.287 -0.125 0.000 0.932 129 K CB -0.411 32.023 32.500 -0.109 0.000 0.717 129 K HN 0.326 nan 8.250 nan 0.000 0.441 130 N N 1.312 119.976 118.700 -0.059 0.000 2.036 130 N HA -0.210 4.532 4.740 0.004 0.000 0.195 130 N C 1.840 177.334 175.510 -0.026 0.000 1.037 130 N CA 1.458 54.489 53.050 -0.031 0.000 0.855 130 N CB -0.152 38.332 38.487 -0.005 0.000 1.033 130 N HN 0.084 nan 8.380 nan 0.000 0.423 131 K N 1.389 121.780 120.400 -0.014 0.000 2.009 131 K HA -0.011 4.311 4.320 0.004 0.000 0.210 131 K C 2.080 178.659 176.600 -0.035 0.000 1.049 131 K CA 1.037 57.328 56.287 0.008 0.000 0.929 131 K CB -0.434 32.110 32.500 0.074 0.000 0.714 131 K HN 0.168 nan 8.250 nan 0.000 0.440 132 I N 0.320 120.838 120.570 -0.087 0.000 2.226 132 I HA -0.243 3.929 4.170 0.004 0.000 0.245 132 I C 2.150 178.202 176.117 -0.108 0.000 1.100 132 I CA 0.725 61.950 61.300 -0.126 0.000 1.374 132 I CB -0.300 37.580 38.000 -0.199 0.000 1.057 132 I HN 0.213 nan 8.210 nan 0.000 0.413 133 L N 1.441 122.611 121.223 -0.088 0.000 2.046 133 L HA -0.218 4.125 4.340 0.004 0.000 0.208 133 L C 2.480 179.323 176.870 -0.045 0.000 1.077 133 L CA 2.066 56.865 54.840 -0.067 0.000 0.747 133 L CB -0.728 41.299 42.059 -0.053 0.000 0.896 133 L HN 0.406 nan 8.230 nan 0.000 0.432 134 E N -1.460 118.721 120.200 -0.033 0.000 2.046 134 E HA -0.177 4.175 4.350 0.004 0.000 0.190 134 E C 1.924 178.512 176.600 -0.019 0.000 0.982 134 E CA 0.765 57.153 56.400 -0.019 0.000 0.800 134 E CB -0.438 29.258 29.700 -0.007 0.000 0.756 134 E HN 0.280 nan 8.360 nan 0.000 0.449 135 K N 0.252 120.638 120.400 -0.022 0.000 2.057 135 K HA -0.076 4.246 4.320 0.004 0.000 0.207 135 K C 1.645 178.227 176.600 -0.030 0.000 1.049 135 K CA 1.229 57.504 56.287 -0.020 0.000 0.931 135 K CB 0.065 32.555 32.500 -0.016 0.000 0.714 135 K HN 0.262 nan 8.250 nan 0.000 0.440 136 E N -0.206 119.964 120.200 -0.050 0.000 2.572 136 E HA 0.052 4.404 4.350 0.004 0.000 0.220 136 E C -0.339 176.229 176.600 -0.054 0.000 0.945 136 E CA -0.040 56.328 56.400 -0.054 0.000 1.070 136 E CB 0.778 30.429 29.700 -0.081 0.000 1.090 136 E HN 0.049 nan 8.360 nan 0.000 0.506 137 K N 0.720 121.089 120.400 -0.053 0.000 3.117 137 K HA -0.160 4.162 4.320 0.004 0.000 0.269 137 K C -0.190 176.376 176.600 -0.057 0.000 1.098 137 K CA 0.497 56.758 56.287 -0.043 0.000 0.785 137 K CB -1.716 30.768 32.500 -0.027 0.000 1.242 137 K HN 0.140 nan 8.250 nan 0.000 0.491 138 I N 1.424 121.941 120.570 -0.089 0.000 2.406 138 I HA 0.149 4.322 4.170 0.004 0.000 0.290 138 I C 1.084 177.133 176.117 -0.113 0.000 0.999 138 I CA -0.431 60.803 61.300 -0.111 0.000 1.124 138 I CB 1.730 39.633 38.000 -0.162 0.000 1.289 138 I HN 0.180 nan 8.210 nan 0.000 0.441 139 T N 5.175 119.684 114.554 -0.074 0.000 2.882 139 T HA 0.753 5.105 4.350 0.004 0.000 0.287 139 T C -0.052 174.627 174.700 -0.035 0.000 0.992 139 T CA -0.446 61.624 62.100 -0.050 0.000 1.076 139 T CB 1.594 70.460 68.868 -0.005 0.000 0.961 139 T HN 0.470 nan 8.240 nan 0.000 0.490 140 V N 0.095 119.985 119.914 -0.039 0.000 3.156 140 V HA 0.912 5.035 4.120 0.004 0.000 0.311 140 V C -0.462 175.613 176.094 -0.031 0.000 1.208 140 V CA -0.958 61.341 62.300 -0.001 0.000 1.063 140 V CB 1.647 33.477 31.823 0.012 0.000 1.098 140 V HN 1.007 nan 8.190 nan 0.000 0.452 141 T N 0.783 115.308 114.554 -0.048 0.000 2.861 141 T HA 0.708 5.060 4.350 0.004 0.000 0.287 141 T C -0.945 173.685 174.700 -0.115 0.000 1.003 141 T CA -0.329 61.733 62.100 -0.064 0.000 0.977 141 T CB 1.601 70.456 68.868 -0.022 0.000 0.996 141 T HN 0.758 nan 8.240 nan 0.000 0.448 142 V N 2.475 122.327 119.914 -0.103 0.000 2.448 142 V HA 0.769 4.891 4.120 0.004 0.000 0.295 142 V C 0.532 176.608 176.094 -0.029 0.000 1.025 142 V CA -0.650 61.587 62.300 -0.105 0.000 0.859 142 V CB 1.741 33.485 31.823 -0.133 0.000 0.988 142 V HN 1.026 nan 8.190 nan 0.000 0.431 143 G N 4.724 113.561 108.800 0.062 0.000 2.415 143 G HA2 0.780 4.742 3.960 0.004 0.000 0.327 143 G HA3 0.780 4.742 3.960 0.004 0.000 0.327 143 G C -1.095 173.895 174.900 0.149 0.000 1.182 143 G CA -0.462 44.717 45.100 0.132 0.000 0.924 143 G HN 0.590 nan 8.290 nan 0.000 0.470 144 I N 1.286 121.921 120.570 0.107 0.000 2.533 144 I HA 0.603 4.775 4.170 0.004 0.000 0.290 144 I C -0.053 176.123 176.117 0.098 0.000 1.056 144 I CA -0.394 60.982 61.300 0.126 0.000 1.057 144 I CB 2.310 40.374 38.000 0.107 0.000 1.240 144 I HN 0.600 nan 8.210 nan 0.000 0.423 145 S N 3.455 119.270 115.700 0.190 0.000 2.694 145 S HA 0.262 4.734 4.470 0.004 0.000 0.273 145 S C 0.282 175.057 174.600 0.292 0.000 1.180 145 S CA -0.691 57.629 58.200 0.200 0.000 0.864 145 S CB 1.296 64.615 63.200 0.200 0.000 1.198 145 S HN 0.716 nan 8.310 nan 0.000 0.499 146 K N 0.394 120.954 120.400 0.267 0.000 2.283 146 K HA 0.015 4.338 4.320 0.004 0.000 0.202 146 K C 0.337 177.075 176.600 0.231 0.000 1.048 146 K CA 1.266 57.694 56.287 0.236 0.000 0.948 146 K CB -0.585 32.020 32.500 0.176 0.000 0.742 146 K HN 0.513 nan 8.250 nan 0.000 0.458 147 N N -0.673 118.192 118.700 0.275 0.000 2.972 147 N HA 0.165 4.907 4.740 0.004 0.000 0.262 147 N C -0.278 175.360 175.510 0.215 0.000 1.478 147 N CA -1.073 52.143 53.050 0.276 0.000 0.841 147 N CB 1.036 39.781 38.487 0.430 0.000 1.512 147 N HN -0.274 nan 8.380 nan 0.000 0.548 148 K N -0.454 120.030 120.400 0.139 0.000 2.026 148 K HA -0.037 4.285 4.320 0.004 0.000 0.208 148 K C 1.467 178.019 176.600 -0.079 0.000 1.048 148 K CA 1.484 57.740 56.287 -0.050 0.000 0.929 148 K CB -0.435 31.782 32.500 -0.470 0.000 0.713 148 K HN 0.322 nan 8.250 nan 0.000 0.439 149 V N 0.974 120.732 119.914 -0.260 0.000 2.231 149 V HA -0.276 3.846 4.120 0.004 0.000 0.248 149 V C 2.040 177.875 176.094 -0.432 0.000 1.054 149 V CA 1.974 63.985 62.300 -0.481 0.000 1.015 149 V CB -0.548 30.724 31.823 -0.918 0.000 0.638 149 V HN 0.200 nan 8.190 nan 0.000 0.444 150 F N 0.205 120.090 119.950 -0.108 0.000 2.325 150 F HA 0.038 4.567 4.527 0.003 0.000 0.299 150 F C 2.318 178.116 175.800 -0.004 0.000 1.090 150 F CA 0.902 58.872 58.000 -0.050 0.000 1.392 150 F CB -0.717 38.269 39.000 -0.023 0.000 1.053 150 F HN 0.074 nan 8.300 nan 0.000 0.521 151 A N 0.570 123.492 122.820 0.171 0.000 1.865 151 A HA -0.279 4.044 4.320 0.004 0.000 0.217 151 A C 2.167 179.813 177.584 0.103 0.000 1.191 151 A CA 2.143 54.295 52.037 0.191 0.000 0.623 151 A CB -0.736 18.437 19.000 0.287 0.000 0.826 151 A HN 0.311 nan 8.150 nan 0.000 0.444 152 K N 0.233 120.547 120.400 -0.143 0.000 2.009 152 K HA -0.110 4.212 4.320 0.004 0.000 0.210 152 K C 1.686 178.226 176.600 -0.100 0.000 1.049 152 K CA 2.042 58.069 56.287 -0.432 0.000 0.929 152 K CB -0.615 31.523 32.500 -0.604 0.000 0.714 152 K HN 0.465 nan 8.250 nan 0.000 0.440 153 I N 0.975 121.486 120.570 -0.098 0.000 2.194 153 I HA -0.339 3.833 4.170 0.004 0.000 0.246 153 I C 2.457 178.600 176.117 0.044 0.000 1.093 153 I CA 1.282 62.560 61.300 -0.037 0.000 1.355 153 I CB -0.688 37.276 38.000 -0.061 0.000 1.046 153 I HN 0.401 nan 8.210 nan 0.000 0.413 154 A N 1.089 123.959 122.820 0.083 0.000 1.859 154 A HA -0.280 4.042 4.320 0.004 0.000 0.217 154 A C 2.605 180.244 177.584 0.091 0.000 1.198 154 A CA 2.462 54.555 52.037 0.093 0.000 0.629 154 A CB -1.105 17.958 19.000 0.106 0.000 0.830 154 A HN 0.456 nan 8.150 nan 0.000 0.446 155 A N -0.451 122.452 122.820 0.140 0.000 1.917 155 A HA -0.256 4.066 4.320 0.004 0.000 0.219 155 A C 1.836 179.479 177.584 0.099 0.000 1.182 155 A CA 2.055 54.172 52.037 0.133 0.000 0.633 155 A CB -0.773 18.373 19.000 0.244 0.000 0.819 155 A HN 0.543 nan 8.150 nan 0.000 0.448 156 D N -0.299 120.159 120.400 0.096 0.000 2.116 156 D HA -0.193 4.450 4.640 0.004 0.000 0.193 156 D C 2.083 178.415 176.300 0.053 0.000 0.998 156 D CA 1.832 55.871 54.000 0.067 0.000 0.836 156 D CB -0.340 40.482 40.800 0.037 0.000 0.951 156 D HN 0.547 nan 8.370 nan 0.000 0.449 157 M N 0.379 120.008 119.600 0.048 0.000 2.117 157 M HA -0.121 4.362 4.480 0.004 0.000 0.262 157 M C 2.116 178.437 176.300 0.035 0.000 1.065 157 M CA 1.414 56.737 55.300 0.039 0.000 1.114 157 M CB -0.190 32.434 32.600 0.040 0.000 1.361 157 M HN -0.080 nan 8.290 nan 0.000 0.408 158 A N 0.349 123.190 122.820 0.036 0.000 2.259 158 A HA 0.065 4.387 4.320 0.004 0.000 0.208 158 A C 0.530 178.121 177.584 0.012 0.000 1.201 158 A CA 0.102 52.152 52.037 0.021 0.000 0.824 158 A CB -0.431 18.578 19.000 0.016 0.000 0.838 158 A HN 0.333 nan 8.150 nan 0.000 0.485 159 K N 1.421 121.839 120.400 0.030 0.000 2.326 159 K HA 0.312 4.635 4.320 0.004 0.000 0.275 159 K C -2.302 174.289 176.600 -0.015 0.000 1.018 159 K CA -1.137 55.169 56.287 0.032 0.000 0.962 159 K CB 0.497 33.055 32.500 0.097 0.000 0.953 159 K HN 0.282 nan 8.250 nan 0.000 0.475 160 P HA 0.126 nan 4.420 nan 0.000 0.292 160 P C -0.818 176.429 177.300 -0.088 0.000 1.304 160 P CA -0.633 62.395 63.100 -0.119 0.000 0.848 160 P CB 0.443 31.887 31.700 -0.427 0.000 1.260 161 N N -1.189 117.484 118.700 -0.044 0.000 2.702 161 N HA -0.156 4.587 4.740 0.004 0.000 0.261 161 N C -0.061 175.420 175.510 -0.049 0.000 0.965 161 N CA 1.242 54.269 53.050 -0.039 0.000 0.795 161 N CB -1.242 37.222 38.487 -0.038 0.000 0.909 161 N HN 0.757 nan 8.380 nan 0.000 0.546 162 G N -0.368 108.404 108.800 -0.046 0.000 3.211 162 G HA2 0.815 4.777 3.960 0.004 0.000 0.262 162 G HA3 0.815 4.777 3.960 0.004 0.000 0.262 162 G C -0.952 173.906 174.900 -0.071 0.000 1.352 162 G CA -0.450 44.622 45.100 -0.047 0.000 1.004 162 G HN 0.496 nan 8.290 nan 0.000 0.559 163 I N -0.886 119.640 120.570 -0.074 0.000 2.785 163 I HA 0.630 4.802 4.170 0.004 0.000 0.293 163 I C -1.703 174.379 176.117 -0.060 0.000 1.446 163 I CA -0.806 60.415 61.300 -0.132 0.000 1.028 163 I CB 2.231 40.042 38.000 -0.315 0.000 1.349 163 I HN 0.576 nan 8.210 nan 0.000 0.438 164 K N 5.768 126.149 120.400 -0.031 0.000 2.578 164 K HA 0.612 4.935 4.320 0.004 0.000 0.269 164 K C -2.313 174.309 176.600 0.036 0.000 0.941 164 K CA -0.581 55.733 56.287 0.044 0.000 0.847 164 K CB 2.499 35.024 32.500 0.041 0.000 1.397 164 K HN 0.378 nan 8.250 nan 0.000 0.422 165 V N 4.552 124.486 119.914 0.032 0.000 2.540 165 V HA 0.497 4.619 4.120 0.004 0.000 0.302 165 V C -0.215 175.788 176.094 -0.151 0.000 1.035 165 V CA -0.796 61.449 62.300 -0.091 0.000 0.873 165 V CB 1.672 33.389 31.823 -0.177 0.000 0.992 165 V HN 0.630 nan 8.190 nan 0.000 0.428 166 I N 4.502 124.970 120.570 -0.170 0.000 2.330 166 I HA 0.281 4.453 4.170 0.004 0.000 0.286 166 I C -0.106 175.867 176.117 -0.241 0.000 1.025 166 I CA -0.554 60.664 61.300 -0.135 0.000 1.197 166 I CB 1.307 39.295 38.000 -0.019 0.000 1.358 166 I HN 0.804 nan 8.210 nan 0.000 0.467 167 D N 3.116 123.368 120.400 -0.247 0.000 2.357 167 D HA 0.045 4.687 4.640 0.004 0.000 0.242 167 D C 0.584 176.863 176.300 -0.036 0.000 1.153 167 D CA -0.355 53.557 54.000 -0.148 0.000 0.918 167 D CB 0.918 41.683 40.800 -0.058 0.000 1.181 167 D HN 0.363 nan 8.370 nan 0.000 0.435 168 D N 0.168 120.613 120.400 0.075 0.000 2.172 168 D HA -0.199 4.444 4.640 0.004 0.000 0.196 168 D C 1.516 177.789 176.300 -0.043 0.000 0.999 168 D CA 1.238 55.241 54.000 0.005 0.000 0.856 168 D CB -0.015 40.813 40.800 0.046 0.000 0.934 168 D HN 0.429 nan 8.370 nan 0.000 0.453 169 E N 0.342 120.531 120.200 -0.019 0.000 2.077 169 E HA -0.187 4.165 4.350 0.004 0.000 0.193 169 E C 2.018 178.586 176.600 -0.054 0.000 0.989 169 E CA 0.770 57.152 56.400 -0.030 0.000 0.800 169 E CB -0.264 29.427 29.700 -0.014 0.000 0.746 169 E HN 0.538 nan 8.360 nan 0.000 0.452 170 E N 0.500 120.660 120.200 -0.067 0.000 2.106 170 E HA -0.117 4.235 4.350 0.004 0.000 0.192 170 E C 2.072 178.599 176.600 -0.123 0.000 0.984 170 E CA 0.897 57.253 56.400 -0.074 0.000 0.806 170 E CB 0.183 29.843 29.700 -0.067 0.000 0.750 170 E HN -0.023 nan 8.360 nan 0.000 0.458 171 V N 1.654 121.437 119.914 -0.218 0.000 2.252 171 V HA -0.343 3.780 4.120 0.004 0.000 0.249 171 V C 2.256 178.190 176.094 -0.267 0.000 1.056 171 V CA 2.428 64.465 62.300 -0.439 0.000 1.022 171 V CB -0.568 30.898 31.823 -0.594 0.000 0.641 171 V HN 0.289 nan 8.190 nan 0.000 0.445 172 K N -0.482 119.820 120.400 -0.165 0.000 2.160 172 K HA -0.234 4.088 4.320 0.004 0.000 0.206 172 K C 2.398 178.967 176.600 -0.050 0.000 1.047 172 K CA 1.557 57.792 56.287 -0.087 0.000 0.930 172 K CB -0.270 32.196 32.500 -0.057 0.000 0.720 172 K HN 0.329 nan 8.250 nan 0.000 0.450 173 R N 0.968 121.438 120.500 -0.049 0.000 2.090 173 R HA -0.019 4.323 4.340 0.004 0.000 0.228 173 R C 2.149 178.450 176.300 0.001 0.000 1.110 173 R CA 0.890 56.978 56.100 -0.020 0.000 0.973 173 R CB -0.035 30.254 30.300 -0.019 0.000 0.869 173 R HN 0.175 nan 8.270 nan 0.000 0.440 174 L N 0.305 121.533 121.223 0.008 0.000 2.156 174 L HA -0.074 4.269 4.340 0.004 0.000 0.208 174 L C 2.213 179.143 176.870 0.099 0.000 1.095 174 L CA 0.762 55.645 54.840 0.072 0.000 0.770 174 L CB -0.220 41.930 42.059 0.152 0.000 0.914 174 L HN 0.215 nan 8.230 nan 0.000 0.439 175 I N -0.244 120.372 120.570 0.077 0.000 2.700 175 I HA -0.256 3.916 4.170 0.004 0.000 0.261 175 I C 2.639 178.788 176.117 0.052 0.000 1.219 175 I CA 1.118 62.472 61.300 0.089 0.000 1.463 175 I CB -0.193 37.840 38.000 0.054 0.000 1.092 175 I HN 0.295 nan 8.210 nan 0.000 0.452 176 R N 0.361 120.882 120.500 0.035 0.000 2.225 176 R HA 0.061 4.403 4.340 0.004 0.000 0.194 176 R C 1.805 178.119 176.300 0.024 0.000 0.949 176 R CA 0.311 56.426 56.100 0.024 0.000 1.088 176 R CB 0.359 30.666 30.300 0.013 0.000 1.106 176 R HN 0.224 nan 8.270 nan 0.000 0.566 177 E N 0.442 120.657 120.200 0.026 0.000 2.251 177 E HA -0.004 4.349 4.350 0.004 0.000 0.194 177 E C -0.123 176.494 176.600 0.028 0.000 0.964 177 E CA -0.211 56.203 56.400 0.023 0.000 0.868 177 E CB 0.256 29.966 29.700 0.018 0.000 0.828 177 E HN 0.022 nan 8.360 nan 0.000 0.481 178 L N 2.953 124.202 121.223 0.043 0.000 2.540 178 L HA -0.012 4.331 4.340 0.004 0.000 0.276 178 L C 0.019 176.906 176.870 0.028 0.000 1.212 178 L CA 0.349 55.215 54.840 0.043 0.000 0.893 178 L CB 0.357 42.459 42.059 0.071 0.000 1.138 178 L HN -0.107 nan 8.230 nan 0.000 0.491 179 D N 4.432 124.842 120.400 0.017 0.000 2.450 179 D HA -0.097 4.545 4.640 0.004 0.000 0.247 179 D C 1.413 177.716 176.300 0.005 0.000 1.162 179 D CA 0.271 54.277 54.000 0.009 0.000 0.879 179 D CB 0.655 41.458 40.800 0.004 0.000 1.163 179 D HN 0.770 nan 8.370 nan 0.000 0.472 180 I N 3.897 124.470 120.570 0.006 0.000 2.315 180 I HA -0.346 3.827 4.170 0.004 0.000 0.251 180 I C 2.033 178.147 176.117 -0.005 0.000 1.125 180 I CA 1.379 62.681 61.300 0.003 0.000 1.392 180 I CB 0.134 38.140 38.000 0.009 0.000 1.065 180 I HN 0.539 nan 8.210 nan 0.000 0.424 181 A N 0.324 123.140 122.820 -0.007 0.000 1.883 181 A HA -0.291 4.031 4.320 0.004 0.000 0.217 181 A C 1.665 179.236 177.584 -0.021 0.000 1.186 181 A CA 2.265 54.293 52.037 -0.014 0.000 0.624 181 A CB -0.865 18.128 19.000 -0.013 0.000 0.822 181 A HN 0.484 nan 8.150 nan 0.000 0.444 182 D N -0.625 119.764 120.400 -0.019 0.000 2.407 182 D HA 0.098 4.740 4.640 0.004 0.000 0.234 182 D C -0.018 176.254 176.300 -0.047 0.000 1.029 182 D CA 0.273 54.257 54.000 -0.026 0.000 0.937 182 D CB -0.263 40.528 40.800 -0.014 0.000 0.882 182 D HN 0.166 nan 8.370 nan 0.000 0.531 183 V N 1.674 121.559 119.914 -0.049 0.000 2.406 183 V HA 0.191 4.313 4.120 0.004 0.000 0.272 183 V C -1.992 174.066 176.094 -0.059 0.000 1.043 183 V CA -1.956 60.298 62.300 -0.075 0.000 0.915 183 V CB 1.398 33.191 31.823 -0.051 0.000 0.988 183 V HN -0.081 nan 8.190 nan 0.000 0.466 184 P HA 0.124 nan 4.420 nan 0.000 0.260 184 P C 0.871 178.114 177.300 -0.094 0.000 1.172 184 P CA 1.543 64.591 63.100 -0.087 0.000 0.760 184 P CB 0.318 31.948 31.700 -0.117 0.000 0.773 185 G N 2.910 111.632 108.800 -0.131 0.000 2.159 185 G HA2 -0.161 3.801 3.960 0.004 0.000 0.227 185 G HA3 -0.161 3.801 3.960 0.004 0.000 0.227 185 G C -0.074 174.732 174.900 -0.156 0.000 0.986 185 G CA -0.587 44.389 45.100 -0.206 0.000 0.651 185 G HN 0.472 nan 8.290 nan 0.000 0.523 186 I N 2.062 122.577 120.570 -0.092 0.000 2.502 186 I HA 0.502 4.675 4.170 0.004 0.000 0.276 186 I C 1.118 177.203 176.117 -0.052 0.000 1.057 186 I CA -0.468 60.796 61.300 -0.061 0.000 1.163 186 I CB 0.284 38.266 38.000 -0.031 0.000 1.288 186 I HN 0.143 nan 8.210 nan 0.000 0.479 187 G N 4.202 112.969 108.800 -0.054 0.000 2.525 187 G HA2 0.175 4.137 3.960 0.004 0.000 0.287 187 G HA3 0.175 4.137 3.960 0.004 0.000 0.287 187 G C 0.850 175.728 174.900 -0.036 0.000 1.350 187 G CA -0.354 44.719 45.100 -0.045 0.000 1.039 187 G HN 0.517 nan 8.290 nan 0.000 0.513 188 N N -0.458 118.223 118.700 -0.032 0.000 2.104 188 N HA -0.134 4.609 4.740 0.004 0.000 0.190 188 N C 2.199 177.693 175.510 -0.026 0.000 1.024 188 N CA 0.720 53.754 53.050 -0.026 0.000 0.853 188 N CB -0.131 38.342 38.487 -0.023 0.000 1.008 188 N HN 0.297 nan 8.380 nan 0.000 0.424 189 I N 1.504 122.056 120.570 -0.030 0.000 2.127 189 I HA -0.215 3.957 4.170 0.004 0.000 0.241 189 I C 1.988 178.086 176.117 -0.030 0.000 1.075 189 I CA 1.410 62.692 61.300 -0.029 0.000 1.334 189 I CB -1.362 36.618 38.000 -0.033 0.000 1.040 189 I HN 0.145 nan 8.210 nan 0.000 0.405 190 T N 1.109 115.642 114.554 -0.035 0.000 2.812 190 T HA -0.012 4.340 4.350 0.004 0.000 0.264 190 T C 2.090 176.775 174.700 -0.026 0.000 1.042 190 T CA 1.224 63.303 62.100 -0.034 0.000 1.140 190 T CB -0.341 68.502 68.868 -0.041 0.000 0.870 190 T HN 0.423 nan 8.240 nan 0.000 0.445 191 A N 2.301 125.106 122.820 -0.025 0.000 1.881 191 A HA -0.257 4.065 4.320 0.004 0.000 0.219 191 A C 2.289 179.863 177.584 -0.016 0.000 1.215 191 A CA 1.798 53.824 52.037 -0.019 0.000 0.648 191 A CB -0.687 18.302 19.000 -0.019 0.000 0.832 191 A HN 0.361 nan 8.150 nan 0.000 0.455 192 E N -0.097 120.093 120.200 -0.018 0.000 2.033 192 E HA -0.222 4.130 4.350 0.004 0.000 0.199 192 E C 1.992 178.582 176.600 -0.017 0.000 1.011 192 E CA 1.654 58.044 56.400 -0.016 0.000 0.815 192 E CB -0.498 29.192 29.700 -0.017 0.000 0.755 192 E HN 0.686 nan 8.360 nan 0.000 0.451 193 K N 0.395 120.782 120.400 -0.021 0.000 2.144 193 K HA -0.171 4.151 4.320 0.004 0.000 0.209 193 K C 2.366 178.953 176.600 -0.021 0.000 1.047 193 K CA 1.172 57.446 56.287 -0.023 0.000 0.927 193 K CB -0.288 32.195 32.500 -0.028 0.000 0.716 193 K HN 0.111 nan 8.250 nan 0.000 0.454 194 L N 0.720 121.932 121.223 -0.018 0.000 2.027 194 L HA -0.178 4.164 4.340 0.004 0.000 0.206 194 L C 2.394 179.258 176.870 -0.010 0.000 1.074 194 L CA 1.269 56.101 54.840 -0.013 0.000 0.745 194 L CB -0.348 41.706 42.059 -0.008 0.000 0.898 194 L HN 0.125 nan 8.230 nan 0.000 0.433 195 K N 0.396 120.791 120.400 -0.009 0.000 2.032 195 K HA -0.221 4.101 4.320 0.004 0.000 0.209 195 K C 2.166 178.761 176.600 -0.008 0.000 1.048 195 K CA 1.578 57.861 56.287 -0.007 0.000 0.927 195 K CB -0.099 32.397 32.500 -0.007 0.000 0.712 195 K HN 0.208 nan 8.250 nan 0.000 0.441 196 K N 0.705 121.099 120.400 -0.010 0.000 2.074 196 K HA -0.134 4.189 4.320 0.004 0.000 0.209 196 K C 1.844 178.438 176.600 -0.010 0.000 1.048 196 K CA 1.172 57.453 56.287 -0.010 0.000 0.926 196 K CB -0.144 32.348 32.500 -0.013 0.000 0.713 196 K HN 0.152 nan 8.250 nan 0.000 0.444 197 L N -0.283 120.933 121.223 -0.012 0.000 2.610 197 L HA -0.013 4.329 4.340 0.004 0.000 0.232 197 L C 1.410 178.276 176.870 -0.006 0.000 1.149 197 L CA 0.580 55.413 54.840 -0.011 0.000 0.872 197 L CB -0.316 41.733 42.059 -0.016 0.000 0.992 197 L HN 0.551 nan 8.230 nan 0.000 0.447 198 G N 0.507 109.305 108.800 -0.004 0.000 2.284 198 G HA2 -0.300 3.662 3.960 0.004 0.000 0.247 198 G HA3 -0.300 3.662 3.960 0.004 0.000 0.247 198 G C 0.449 175.350 174.900 0.001 0.000 1.012 198 G CA -0.116 44.983 45.100 -0.001 0.000 0.618 198 G HN 0.282 nan 8.290 nan 0.000 0.521 199 I N 1.939 122.510 120.570 0.001 0.000 2.671 199 I HA 0.099 4.271 4.170 0.004 0.000 0.285 199 I C 0.820 176.939 176.117 0.004 0.000 1.148 199 I CA 0.232 61.535 61.300 0.005 0.000 1.386 199 I CB 0.366 38.369 38.000 0.005 0.000 1.406 199 I HN 0.076 nan 8.210 nan 0.000 0.540 200 N N 5.142 123.847 118.700 0.007 0.000 2.181 200 N HA 0.145 4.888 4.740 0.004 0.000 0.207 200 N C -0.199 175.317 175.510 0.010 0.000 1.182 200 N CA 0.276 53.330 53.050 0.006 0.000 0.893 200 N CB 0.781 39.271 38.487 0.005 0.000 1.032 200 N HN 0.474 nan 8.380 nan 0.000 0.513 201 K N 0.314 120.722 120.400 0.014 0.000 2.508 201 K HA 0.230 4.552 4.320 0.004 0.000 0.260 201 K C 0.614 177.229 176.600 0.024 0.000 0.949 201 K CA -0.750 55.548 56.287 0.019 0.000 0.834 201 K CB 2.050 34.562 32.500 0.020 0.000 1.365 201 K HN -0.233 nan 8.250 nan 0.000 0.437 202 L N 1.917 123.159 121.223 0.031 0.000 2.137 202 L HA -0.172 4.170 4.340 0.004 0.000 0.213 202 L C 2.032 178.924 176.870 0.037 0.000 1.085 202 L CA 1.649 56.510 54.840 0.035 0.000 0.760 202 L CB -0.375 41.716 42.059 0.053 0.000 0.893 202 L HN 0.592 nan 8.230 nan 0.000 0.434 203 V N -0.534 119.401 119.914 0.035 0.000 2.307 203 V HA -0.265 3.857 4.120 0.004 0.000 0.245 203 V C 2.098 178.209 176.094 0.028 0.000 1.045 203 V CA 2.065 64.384 62.300 0.031 0.000 1.024 203 V CB -0.437 31.401 31.823 0.026 0.000 0.651 203 V HN 0.505 nan 8.190 nan 0.000 0.449 204 D N 0.411 120.825 120.400 0.024 0.000 2.191 204 D HA -0.227 4.415 4.640 0.004 0.000 0.195 204 D C 2.276 178.592 176.300 0.026 0.000 1.003 204 D CA 2.168 56.181 54.000 0.021 0.000 0.867 204 D CB -0.799 40.011 40.800 0.016 0.000 0.926 204 D HN 0.721 nan 8.370 nan 0.000 0.450 205 T N -0.647 113.926 114.554 0.031 0.000 2.778 205 T HA -0.176 4.176 4.350 0.004 0.000 0.269 205 T C 2.165 176.895 174.700 0.050 0.000 1.050 205 T CA 0.825 62.949 62.100 0.040 0.000 1.137 205 T CB -0.653 68.245 68.868 0.049 0.000 0.860 205 T HN 0.207 nan 8.240 nan 0.000 0.468 206 L N 1.792 123.042 121.223 0.045 0.000 2.465 206 L HA 0.097 4.439 4.340 0.004 0.000 0.224 206 L C 2.325 179.219 176.870 0.041 0.000 1.145 206 L CA 1.001 55.868 54.840 0.046 0.000 0.834 206 L CB -0.348 41.733 42.059 0.036 0.000 0.944 206 L HN 0.472 nan 8.230 nan 0.000 0.451 207 S N -1.059 114.662 115.700 0.034 0.000 2.561 207 S HA 0.327 4.799 4.470 0.004 0.000 0.245 207 S C 0.064 174.682 174.600 0.029 0.000 1.001 207 S CA -0.566 57.651 58.200 0.029 0.000 1.002 207 S CB -0.084 63.128 63.200 0.021 0.000 0.805 207 S HN 0.242 nan 8.310 nan 0.000 0.458 208 I N 0.779 121.372 120.570 0.038 0.000 2.647 208 I HA 0.436 4.608 4.170 0.004 0.000 0.295 208 I C -1.104 175.047 176.117 0.056 0.000 1.078 208 I CA -0.672 60.649 61.300 0.034 0.000 1.048 208 I CB 1.798 39.810 38.000 0.020 0.000 1.239 208 I HN -0.030 nan 8.210 nan 0.000 0.421 209 E N 5.646 125.876 120.200 0.050 0.000 2.366 209 E HA -0.026 4.326 4.350 0.004 0.000 0.266 209 E C 0.355 177.015 176.600 0.100 0.000 1.015 209 E CA 0.265 56.714 56.400 0.080 0.000 0.906 209 E CB 0.639 30.374 29.700 0.059 0.000 0.979 209 E HN 0.563 nan 8.360 nan 0.000 0.443 210 F N 4.176 124.132 119.950 0.009 0.000 2.021 210 F HA -0.365 4.163 4.527 0.001 0.000 0.297 210 F C 1.726 177.532 175.800 0.010 0.000 1.152 210 F CA 2.503 60.510 58.000 0.011 0.000 1.201 210 F CB -0.198 38.809 39.000 0.011 0.000 0.951 210 F HN 0.486 nan 8.300 nan 0.000 0.504 211 D N 0.031 120.487 120.400 0.093 0.000 2.244 211 D HA -0.235 4.407 4.640 0.004 0.000 0.197 211 D C 2.189 178.418 176.300 -0.119 0.000 1.006 211 D CA 1.392 55.378 54.000 -0.023 0.000 0.888 211 D CB -0.204 40.648 40.800 0.088 0.000 0.912 211 D HN 0.119 nan 8.370 nan 0.000 0.452 212 K N -0.173 120.173 120.400 -0.090 0.000 2.076 212 K HA -0.020 4.302 4.320 0.004 0.000 0.204 212 K C 2.012 178.531 176.600 -0.134 0.000 1.051 212 K CA 0.160 56.398 56.287 -0.082 0.000 0.949 212 K CB -0.556 31.919 32.500 -0.042 0.000 0.726 212 K HN 0.186 nan 8.250 nan 0.000 0.443 213 L N 2.412 123.525 121.223 -0.182 0.000 1.976 213 L HA -0.177 4.166 4.340 0.004 0.000 0.209 213 L C 2.393 179.081 176.870 -0.303 0.000 1.071 213 L CA 2.023 56.738 54.840 -0.208 0.000 0.746 213 L CB -0.815 41.120 42.059 -0.206 0.000 0.890 213 L HN 0.076 nan 8.230 nan 0.000 0.432 214 K N -0.092 119.960 120.400 -0.579 0.000 2.059 214 K HA -0.197 4.125 4.320 0.004 0.000 0.212 214 K C 1.945 178.390 176.600 -0.258 0.000 1.050 214 K CA 1.947 57.897 56.287 -0.561 0.000 0.927 214 K CB -1.115 30.855 32.500 -0.883 0.000 0.714 214 K HN 0.536 nan 8.250 nan 0.000 0.447 215 G N 0.832 109.509 108.800 -0.204 0.000 2.432 215 G HA2 -0.210 3.752 3.960 0.004 0.000 0.219 215 G HA3 -0.210 3.752 3.960 0.004 0.000 0.219 215 G C 1.572 176.418 174.900 -0.091 0.000 1.135 215 G CA 0.642 45.676 45.100 -0.111 0.000 0.767 215 G HN 0.236 nan 8.290 nan 0.000 0.550 216 M N 0.218 119.757 119.600 -0.102 0.000 2.325 216 M HA 0.253 4.735 4.480 0.004 0.000 0.265 216 M C 2.361 178.620 176.300 -0.069 0.000 1.094 216 M CA 0.867 56.122 55.300 -0.074 0.000 1.161 216 M CB -0.148 32.412 32.600 -0.066 0.000 1.358 216 M HN 0.483 nan 8.290 nan 0.000 0.446 217 I N -3.031 117.489 120.570 -0.084 0.000 4.154 217 I HA 0.506 4.678 4.170 0.004 0.000 0.334 217 I C 0.390 176.467 176.117 -0.067 0.000 1.371 217 I CA -0.075 61.185 61.300 -0.067 0.000 1.110 217 I CB 0.111 38.078 38.000 -0.056 0.000 1.085 217 I HN 0.265 nan 8.210 nan 0.000 0.398 218 G N 2.262 111.014 108.800 -0.081 0.000 2.712 218 G HA2 -0.210 3.753 3.960 0.004 0.000 0.686 218 G HA3 -0.210 3.753 3.960 0.004 0.000 0.686 218 G C 0.059 174.918 174.900 -0.069 0.000 1.181 218 G CA 0.115 45.177 45.100 -0.063 0.000 0.762 218 G HN 0.472 nan 8.290 nan 0.000 0.641 219 E N 0.715 120.895 120.200 -0.033 0.000 2.038 219 E HA -0.086 4.266 4.350 0.004 0.000 0.195 219 E C 2.825 179.484 176.600 0.097 0.000 1.000 219 E CA 2.127 58.547 56.400 0.035 0.000 0.803 219 E CB -0.216 29.556 29.700 0.120 0.000 0.750 219 E HN 1.199 nan 8.360 nan 0.000 0.448 220 A N 0.967 123.827 122.820 0.068 0.000 1.908 220 A HA -0.238 4.085 4.320 0.004 0.000 0.218 220 A C 2.122 179.758 177.584 0.088 0.000 1.181 220 A CA 2.039 54.122 52.037 0.076 0.000 0.627 220 A CB -0.465 18.553 19.000 0.030 0.000 0.818 220 A HN 0.151 nan 8.150 nan 0.000 0.445 221 K N -0.291 120.129 120.400 0.034 0.000 2.155 221 K HA 0.155 4.478 4.320 0.004 0.000 0.203 221 K C 1.958 178.629 176.600 0.117 0.000 1.052 221 K CA 1.220 57.525 56.287 0.030 0.000 0.948 221 K CB -0.376 32.104 32.500 -0.034 0.000 0.728 221 K HN 0.352 nan 8.250 nan 0.000 0.448 222 A N 0.850 123.715 122.820 0.074 0.000 1.855 222 A HA -0.134 4.188 4.320 0.004 0.000 0.215 222 A C 1.906 179.632 177.584 0.238 0.000 1.191 222 A CA 1.625 53.706 52.037 0.075 0.000 0.613 222 A CB -0.412 18.489 19.000 -0.164 0.000 0.829 222 A HN 0.271 nan 8.150 nan 0.000 0.442 223 K N -1.631 118.953 120.400 0.306 0.000 2.103 223 K HA -0.184 4.138 4.320 0.004 0.000 0.207 223 K C 1.932 178.674 176.600 0.237 0.000 1.048 223 K CA 1.759 58.217 56.287 0.284 0.000 0.930 223 K CB -0.407 32.230 32.500 0.227 0.000 0.716 223 K HN 0.631 nan 8.250 nan 0.000 0.444 224 Y N 1.753 122.123 120.300 0.115 0.000 2.049 224 Y HA -0.274 4.278 4.550 0.004 0.000 0.277 224 Y C 1.858 177.819 175.900 0.102 0.000 1.143 224 Y CA 1.583 59.755 58.100 0.119 0.000 1.115 224 Y CB -0.392 38.112 38.460 0.073 0.000 0.975 224 Y HN -0.084 nan 8.280 nan 0.000 0.487 225 L N -0.108 121.239 121.223 0.207 0.000 1.989 225 L HA -0.279 4.063 4.340 0.004 0.000 0.211 225 L C 2.532 179.418 176.870 0.026 0.000 1.071 225 L CA 1.879 56.756 54.840 0.061 0.000 0.749 225 L CB -0.734 41.406 42.059 0.135 0.000 0.890 225 L HN 0.336 nan 8.230 nan 0.000 0.431 226 I N -0.944 119.681 120.570 0.091 0.000 2.194 226 I HA -0.360 3.812 4.170 0.004 0.000 0.246 226 I C 2.852 179.004 176.117 0.058 0.000 1.093 226 I CA 1.401 62.756 61.300 0.091 0.000 1.355 226 I CB -0.379 37.709 38.000 0.148 0.000 1.046 226 I HN 0.229 nan 8.210 nan 0.000 0.413 227 S N 0.836 116.569 115.700 0.055 0.000 2.365 227 S HA -0.179 4.293 4.470 0.004 0.000 0.225 227 S C 2.020 176.654 174.600 0.057 0.000 1.039 227 S CA 1.545 59.776 58.200 0.052 0.000 1.033 227 S CB -0.309 62.935 63.200 0.073 0.000 0.887 227 S HN 0.293 nan 8.310 nan 0.000 0.447 228 L N 0.967 122.182 121.223 -0.014 0.000 1.994 228 L HA -0.086 4.256 4.340 0.004 0.000 0.208 228 L C 2.882 179.799 176.870 0.079 0.000 1.071 228 L CA 1.294 56.141 54.840 0.011 0.000 0.745 228 L CB -0.722 41.223 42.059 -0.191 0.000 0.892 228 L HN 0.379 nan 8.230 nan 0.000 0.431 229 A N 0.115 122.962 122.820 0.045 0.000 1.986 229 A HA -0.225 4.097 4.320 0.004 0.000 0.220 229 A C 2.243 179.856 177.584 0.048 0.000 1.171 229 A CA 1.654 53.723 52.037 0.054 0.000 0.640 229 A CB -0.546 18.480 19.000 0.044 0.000 0.811 229 A HN 0.395 nan 8.150 nan 0.000 0.451 230 R N -0.777 119.751 120.500 0.046 0.000 2.320 230 R HA 0.030 4.372 4.340 0.004 0.000 0.211 230 R C -0.009 176.314 176.300 0.037 0.000 0.931 230 R CA 0.460 56.581 56.100 0.035 0.000 1.071 230 R CB -0.066 30.251 30.300 0.029 0.000 1.025 230 R HN 0.485 nan 8.270 nan 0.000 0.495 231 D N 1.743 122.177 120.400 0.057 0.000 2.689 231 D HA -0.190 4.452 4.640 0.004 0.000 0.237 231 D C -0.380 175.959 176.300 0.065 0.000 1.148 231 D CA 1.001 55.035 54.000 0.057 0.000 0.656 231 D CB -0.667 40.135 40.800 0.003 0.000 1.050 231 D HN 0.510 nan 8.370 nan 0.000 0.426 232 E N -0.620 119.629 120.200 0.082 0.000 2.676 232 E HA 0.009 4.362 4.350 0.004 0.000 0.222 232 E C 0.176 176.808 176.600 0.054 0.000 0.968 232 E CA -0.543 55.887 56.400 0.050 0.000 1.090 232 E CB 0.544 30.256 29.700 0.020 0.000 1.066 232 E HN 0.421 nan 8.360 nan 0.000 0.496 233 Y N 1.619 121.917 120.300 -0.004 0.000 2.511 233 Y HA 0.088 4.640 4.550 0.003 0.000 0.332 233 Y C 0.271 176.170 175.900 -0.001 0.000 1.177 233 Y CA 0.615 58.698 58.100 -0.029 0.000 1.422 233 Y CB 0.453 38.873 38.460 -0.068 0.000 1.271 233 Y HN -0.117 nan 8.280 nan 0.000 0.550 234 N N 2.875 121.134 118.700 -0.736 0.000 2.528 234 N HA 0.039 4.782 4.740 0.004 0.000 0.266 234 N C -1.844 173.395 175.510 -0.451 0.000 1.528 234 N CA -0.172 52.638 53.050 -0.399 0.000 0.959 234 N CB 0.061 38.448 38.487 -0.166 0.000 1.430 234 N HN 0.516 nan 8.380 nan 0.000 0.511 235 E N 1.752 121.503 120.200 -0.749 0.000 2.376 235 E HA 0.146 4.498 4.350 0.004 0.000 0.266 235 E C -2.088 174.422 176.600 -0.151 0.000 1.009 235 E CA -1.164 55.024 56.400 -0.353 0.000 0.902 235 E CB 0.534 30.087 29.700 -0.245 0.000 0.972 235 E HN 0.399 nan 8.360 nan 0.000 0.439 236 P HA 0.188 nan 4.420 nan 0.000 0.274 236 P C -0.250 177.027 177.300 -0.038 0.000 1.256 236 P CA -0.531 62.540 63.100 -0.049 0.000 0.795 236 P CB 0.724 32.402 31.700 -0.037 0.000 1.038 237 I N 1.839 122.405 120.570 -0.007 0.000 2.291 237 I HA 0.219 4.391 4.170 0.004 0.000 0.292 237 I C 0.984 177.118 176.117 0.029 0.000 1.064 237 I CA -0.004 61.303 61.300 0.012 0.000 1.269 237 I CB -0.336 37.703 38.000 0.065 0.000 1.418 237 I HN 0.353 nan 8.210 nan 0.000 0.485 238 R N 3.071 123.585 120.500 0.023 0.000 2.854 238 R HA 0.781 5.123 4.340 0.004 0.000 0.271 238 R C -0.234 176.094 176.300 0.046 0.000 0.996 238 R CA -0.782 55.337 56.100 0.031 0.000 0.961 238 R CB 0.115 30.425 30.300 0.016 0.000 1.182 238 R HN 0.291 nan 8.270 nan 0.000 0.479 239 T N 1.403 115.985 114.554 0.046 0.000 2.856 239 T HA 0.276 4.628 4.350 0.004 0.000 0.306 239 T C -0.206 174.522 174.700 0.047 0.000 1.062 239 T CA -0.199 61.931 62.100 0.051 0.000 1.083 239 T CB 0.161 69.056 68.868 0.045 0.000 0.984 239 T HN 0.369 nan 8.240 nan 0.000 0.542 240 R N 0.911 121.443 120.500 0.052 0.000 2.512 240 R HA 0.456 4.798 4.340 0.004 0.000 0.291 240 R C -1.017 175.316 176.300 0.054 0.000 1.097 240 R CA -0.643 55.488 56.100 0.050 0.000 0.940 240 R CB 1.568 31.900 30.300 0.053 0.000 1.198 240 R HN 0.519 nan 8.270 nan 0.000 0.429 241 V N 0.365 120.313 119.914 0.057 0.000 2.716 241 V HA 0.541 4.663 4.120 0.004 0.000 0.304 241 V C 0.618 176.766 176.094 0.091 0.000 1.053 241 V CA -1.256 61.085 62.300 0.068 0.000 0.984 241 V CB 1.267 33.133 31.823 0.070 0.000 1.021 241 V HN 0.555 nan 8.190 nan 0.000 0.467 242 R N 2.274 122.839 120.500 0.109 0.000 2.638 242 R HA 0.144 4.487 4.340 0.004 0.000 0.268 242 R C 0.455 176.897 176.300 0.237 0.000 1.006 242 R CA 0.311 56.503 56.100 0.154 0.000 1.088 242 R CB 0.293 30.688 30.300 0.157 0.000 0.950 242 R HN 0.778 nan 8.270 nan 0.000 0.419 243 K N 0.134 120.626 120.400 0.154 0.000 2.373 243 K HA 0.071 4.393 4.320 0.004 0.000 0.200 243 K C 0.116 176.615 176.600 -0.169 0.000 1.054 243 K CA 0.155 56.451 56.287 0.015 0.000 1.065 243 K CB 0.718 33.196 32.500 -0.038 0.000 0.886 243 K HN 0.719 nan 8.250 nan 0.000 0.546 244 S N -0.099 115.639 115.700 0.064 0.000 2.567 244 S HA 0.579 5.052 4.470 0.004 0.000 0.270 244 S C -1.310 173.453 174.600 0.271 0.000 1.152 244 S CA -0.961 57.275 58.200 0.059 0.000 0.835 244 S CB 1.492 64.657 63.200 -0.057 0.000 1.115 244 S HN 0.042 nan 8.310 nan 0.000 0.459 245 I N 0.859 121.616 120.570 0.313 0.000 2.692 245 I HA 0.737 4.909 4.170 0.004 0.000 0.293 245 I C 0.207 176.442 176.117 0.196 0.000 1.200 245 I CA -0.470 60.971 61.300 0.236 0.000 1.036 245 I CB 2.348 40.485 38.000 0.228 0.000 1.258 245 I HN 1.107 nan 8.210 nan 0.000 0.421 246 G N 3.567 112.444 108.800 0.129 0.000 2.645 246 G HA2 0.807 4.769 3.960 0.004 0.000 0.292 246 G HA3 0.807 4.769 3.960 0.004 0.000 0.292 246 G C -2.042 172.911 174.900 0.089 0.000 1.415 246 G CA -0.614 44.541 45.100 0.091 0.000 0.785 246 G HN 0.510 nan 8.290 nan 0.000 0.483 247 R N -1.057 119.485 120.500 0.071 0.000 2.604 247 R HA 0.749 5.091 4.340 0.004 0.000 0.270 247 R C -2.032 174.299 176.300 0.051 0.000 1.052 247 R CA -0.646 55.501 56.100 0.077 0.000 0.902 247 R CB 1.691 32.059 30.300 0.112 0.000 1.233 247 R HN 0.788 nan 8.270 nan 0.000 0.455 248 I N 4.136 124.735 120.570 0.048 0.000 2.752 248 I HA 0.677 4.850 4.170 0.004 0.000 0.295 248 I C -1.432 174.709 176.117 0.040 0.000 1.219 248 I CA -0.927 60.392 61.300 0.031 0.000 1.030 248 I CB 2.146 40.152 38.000 0.009 0.000 1.259 248 I HN 0.575 nan 8.210 nan 0.000 0.423 249 V N 2.156 122.093 119.914 0.038 0.000 2.789 249 V HA 0.636 4.758 4.120 0.004 0.000 0.311 249 V C -0.363 175.718 176.094 -0.022 0.000 1.073 249 V CA -0.362 61.969 62.300 0.053 0.000 0.921 249 V CB 1.562 33.472 31.823 0.145 0.000 1.009 249 V HN 0.712 nan 8.190 nan 0.000 0.426 250 T N 6.138 120.674 114.554 -0.029 0.000 2.817 250 T HA 0.543 4.896 4.350 0.004 0.000 0.293 250 T C 0.124 174.722 174.700 -0.171 0.000 0.964 250 T CA -0.160 61.880 62.100 -0.100 0.000 1.085 250 T CB 0.763 69.594 68.868 -0.062 0.000 0.921 250 T HN 0.728 nan 8.240 nan 0.000 0.502 251 M N 2.576 121.940 119.600 -0.394 0.000 2.247 251 M HA 0.283 4.765 4.480 0.004 0.000 0.326 251 M C 1.642 177.844 176.300 -0.162 0.000 1.134 251 M CA -0.654 54.250 55.300 -0.660 0.000 1.136 251 M CB 0.639 32.652 32.600 -0.977 0.000 1.454 251 M HN 0.414 nan 8.290 nan 0.000 0.467 252 K N 1.202 121.641 120.400 0.066 0.000 2.113 252 K HA -0.116 4.207 4.320 0.004 0.000 0.208 252 K C 0.391 177.022 176.600 0.052 0.000 1.047 252 K CA 1.507 57.858 56.287 0.105 0.000 0.928 252 K CB 0.173 32.776 32.500 0.171 0.000 0.716 252 K HN 0.665 nan 8.250 nan 0.000 0.446 253 R N -1.045 119.464 120.500 0.016 0.000 2.781 253 R HA 0.302 4.644 4.340 0.004 0.000 0.269 253 R C -0.894 175.385 176.300 -0.036 0.000 1.025 253 R CA -0.885 55.221 56.100 0.010 0.000 0.914 253 R CB 0.465 30.786 30.300 0.035 0.000 1.236 253 R HN -0.189 nan 8.270 nan 0.000 0.465 254 N N 0.265 118.951 118.700 -0.024 0.000 2.326 254 N HA 0.197 4.939 4.740 0.004 0.000 0.239 254 N C -0.395 175.095 175.510 -0.034 0.000 1.301 254 N CA 0.165 53.191 53.050 -0.040 0.000 0.909 254 N CB 1.018 39.492 38.487 -0.021 0.000 1.156 254 N HN 0.606 nan 8.380 nan 0.000 0.462 255 S N -1.406 114.271 115.700 -0.039 0.000 2.645 255 S HA 0.356 4.828 4.470 0.004 0.000 0.268 255 S C -0.868 173.717 174.600 -0.025 0.000 1.110 255 S CA -0.680 57.506 58.200 -0.024 0.000 0.823 255 S CB 0.897 64.087 63.200 -0.018 0.000 1.091 255 S HN 0.659 nan 8.310 nan 0.000 0.466 256 R N 0.543 121.035 120.500 -0.013 0.000 2.526 256 R HA 0.195 4.538 4.340 0.004 0.000 0.346 256 R C -0.296 176.002 176.300 -0.004 0.000 0.926 256 R CA -0.440 55.653 56.100 -0.012 0.000 1.147 256 R CB 0.178 30.473 30.300 -0.008 0.000 1.629 256 R HN 0.544 nan 8.270 nan 0.000 0.516 257 N N 2.718 121.419 118.700 0.002 0.000 2.399 257 N HA -0.031 4.711 4.740 0.004 0.000 0.259 257 N C 1.085 176.601 175.510 0.011 0.000 1.160 257 N CA 0.031 53.087 53.050 0.011 0.000 0.946 257 N CB 1.091 39.590 38.487 0.020 0.000 1.156 257 N HN 0.078 nan 8.380 nan 0.000 0.489 258 L N 4.469 125.697 121.223 0.008 0.000 1.978 258 L HA -0.193 4.149 4.340 0.004 0.000 0.218 258 L C 1.803 178.677 176.870 0.006 0.000 1.075 258 L CA 1.929 56.771 54.840 0.003 0.000 0.767 258 L CB -0.429 41.639 42.059 0.015 0.000 0.890 258 L HN 0.540 nan 8.230 nan 0.000 0.434 259 E N -0.421 119.794 120.200 0.025 0.000 2.331 259 E HA -0.258 4.094 4.350 0.004 0.000 0.199 259 E C 2.057 178.681 176.600 0.040 0.000 1.008 259 E CA 1.198 57.620 56.400 0.037 0.000 0.843 259 E CB -0.068 29.658 29.700 0.044 0.000 0.761 259 E HN 0.717 nan 8.360 nan 0.000 0.507 260 E N -0.229 119.998 120.200 0.045 0.000 2.216 260 E HA 0.011 4.363 4.350 0.004 0.000 0.192 260 E C 2.020 178.702 176.600 0.137 0.000 0.973 260 E CA 0.070 56.519 56.400 0.081 0.000 0.851 260 E CB 0.247 29.990 29.700 0.072 0.000 0.804 260 E HN 0.172 nan 8.360 nan 0.000 0.477 261 I N 0.757 121.372 120.570 0.074 0.000 2.339 261 I HA -0.174 3.998 4.170 0.004 0.000 0.245 261 I C 2.211 178.335 176.117 0.010 0.000 1.096 261 I CA 0.615 61.960 61.300 0.076 0.000 1.408 261 I CB -0.159 37.828 38.000 -0.022 0.000 1.092 261 I HN -0.049 nan 8.210 nan 0.000 0.423 262 K N 0.922 121.239 120.400 -0.139 0.000 2.117 262 K HA -0.232 4.090 4.320 0.004 0.000 0.215 262 K C -0.521 175.766 176.600 -0.521 0.000 1.053 262 K CA 2.340 58.347 56.287 -0.467 0.000 0.935 262 K CB -1.484 30.824 32.500 -0.320 0.000 0.719 262 K HN 0.351 nan 8.250 nan 0.000 0.460 263 P HA -0.204 nan 4.420 nan 0.000 0.215 263 P C 1.111 178.371 177.300 -0.066 0.000 1.157 263 P CA 1.671 64.745 63.100 -0.044 0.000 0.868 263 P CB -0.137 31.506 31.700 -0.095 0.000 0.788 264 Y N -0.066 120.194 120.300 -0.067 0.000 2.145 264 Y HA -0.164 4.389 4.550 0.004 0.000 0.286 264 Y C 2.716 178.578 175.900 -0.064 0.000 1.145 264 Y CA 1.032 59.107 58.100 -0.042 0.000 1.148 264 Y CB -1.488 36.943 38.460 -0.048 0.000 0.981 264 Y HN -0.145 nan 8.280 nan 0.000 0.507 265 L N -0.895 120.330 121.223 0.003 0.000 2.042 265 L HA -0.227 4.115 4.340 0.004 0.000 0.210 265 L C 1.835 178.678 176.870 -0.046 0.000 1.076 265 L CA 1.791 56.566 54.840 -0.108 0.000 0.749 265 L CB -0.982 40.904 42.059 -0.289 0.000 0.893 265 L HN 0.083 nan 8.230 nan 0.000 0.432 266 F N -0.122 119.838 119.950 0.016 0.000 2.259 266 F HA -0.023 4.507 4.527 0.004 0.000 0.298 266 F C 2.745 178.547 175.800 0.004 0.000 1.088 266 F CA 1.209 59.179 58.000 -0.050 0.000 1.358 266 F CB -0.982 38.104 39.000 0.145 0.000 1.040 266 F HN 0.159 nan 8.300 nan 0.000 0.505 267 R N 0.569 121.195 120.500 0.210 0.000 2.092 267 R HA -0.109 4.233 4.340 0.004 0.000 0.231 267 R C 2.307 178.694 176.300 0.144 0.000 1.119 267 R CA 1.226 57.416 56.100 0.151 0.000 0.970 267 R CB -0.365 29.990 30.300 0.092 0.000 0.864 267 R HN 0.208 nan 8.270 nan 0.000 0.440 268 A N 1.374 124.274 122.820 0.133 0.000 1.877 268 A HA -0.146 4.176 4.320 0.004 0.000 0.216 268 A C 2.159 179.847 177.584 0.174 0.000 1.186 268 A CA 1.467 53.581 52.037 0.129 0.000 0.620 268 A CB -0.524 18.529 19.000 0.089 0.000 0.822 268 A HN 0.343 nan 8.150 nan 0.000 0.443 269 I N -0.583 120.086 120.570 0.165 0.000 2.142 269 I HA -0.237 3.935 4.170 0.004 0.000 0.240 269 I C 2.588 178.902 176.117 0.328 0.000 1.078 269 I CA 1.421 62.879 61.300 0.263 0.000 1.343 269 I CB -0.565 37.445 38.000 0.016 0.000 1.046 269 I HN 0.319 nan 8.210 nan 0.000 0.405 270 E N 0.965 121.293 120.200 0.213 0.000 2.049 270 E HA -0.266 4.086 4.350 0.004 0.000 0.198 270 E C 2.068 178.829 176.600 0.269 0.000 1.007 270 E CA 1.547 58.094 56.400 0.245 0.000 0.809 270 E CB -0.282 29.540 29.700 0.203 0.000 0.749 270 E HN 0.538 nan 8.360 nan 0.000 0.450 271 E N 0.293 120.627 120.200 0.223 0.000 2.058 271 E HA -0.133 4.219 4.350 0.004 0.000 0.194 271 E C 2.214 178.978 176.600 0.273 0.000 0.997 271 E CA 1.307 57.840 56.400 0.222 0.000 0.801 271 E CB -0.006 29.794 29.700 0.166 0.000 0.746 271 E HN 0.054 nan 8.360 nan 0.000 0.450 272 S N -0.094 115.774 115.700 0.281 0.000 2.383 272 S HA -0.172 4.300 4.470 0.004 0.000 0.229 272 S C 1.683 176.372 174.600 0.148 0.000 1.030 272 S CA 1.032 59.393 58.200 0.268 0.000 1.002 272 S CB -0.303 63.151 63.200 0.422 0.000 0.829 272 S HN 0.319 nan 8.310 nan 0.000 0.467 273 Y N -0.099 120.281 120.300 0.134 0.000 2.200 273 Y HA -0.136 4.416 4.550 0.004 0.000 0.290 273 Y C 2.336 178.269 175.900 0.056 0.000 1.137 273 Y CA 1.452 59.563 58.100 0.018 0.000 1.163 273 Y CB -0.488 37.974 38.460 0.004 0.000 0.988 273 Y HN 0.332 nan 8.280 nan 0.000 0.518 274 Y N 1.327 121.708 120.300 0.136 0.000 2.165 274 Y HA -0.271 4.281 4.550 0.004 0.000 0.286 274 Y C 1.988 177.898 175.900 0.017 0.000 1.155 274 Y CA 1.704 59.845 58.100 0.069 0.000 1.164 274 Y CB -0.376 38.124 38.460 0.068 0.000 0.978 274 Y HN -0.058 nan 8.280 nan 0.000 0.513 275 K N 0.048 120.412 120.400 -0.059 0.000 2.283 275 K HA -0.119 4.203 4.320 0.004 0.000 0.202 275 K C 2.058 178.525 176.600 -0.221 0.000 1.048 275 K CA 1.260 57.439 56.287 -0.179 0.000 0.948 275 K CB -0.271 32.231 32.500 0.002 0.000 0.742 275 K HN 0.399 nan 8.250 nan 0.000 0.458 276 L N 0.657 121.746 121.223 -0.224 0.000 2.141 276 L HA -0.219 4.123 4.340 0.004 0.000 0.209 276 L C 1.248 177.938 176.870 -0.300 0.000 1.094 276 L CA 1.121 55.770 54.840 -0.320 0.000 0.763 276 L CB -0.418 41.369 42.059 -0.454 0.000 0.908 276 L HN 0.321 nan 8.230 nan 0.000 0.437 277 D N -0.453 119.795 120.400 -0.252 0.000 4.508 277 D HA -0.372 4.270 4.640 0.004 0.000 0.178 277 D C 1.169 177.380 176.300 -0.149 0.000 0.644 277 D CA 2.489 56.361 54.000 -0.213 0.000 1.244 277 D CB -0.768 39.897 40.800 -0.226 0.000 0.727 277 D HN 0.156 nan 8.370 nan 0.000 0.495 278 K N -0.225 120.077 120.400 -0.162 0.000 2.402 278 K HA 0.315 4.638 4.320 0.004 0.000 0.204 278 K C 0.092 176.601 176.600 -0.152 0.000 1.056 278 K CA -0.247 55.967 56.287 -0.121 0.000 1.069 278 K CB 0.676 33.122 32.500 -0.091 0.000 0.888 278 K HN 0.137 nan 8.250 nan 0.000 0.546 279 R N 1.057 121.405 120.500 -0.255 0.000 2.539 279 R HA 0.257 4.599 4.340 0.004 0.000 0.275 279 R C -0.248 175.912 176.300 -0.234 0.000 1.077 279 R CA -0.049 55.847 56.100 -0.340 0.000 1.097 279 R CB 0.651 30.495 30.300 -0.761 0.000 1.018 279 R HN -0.063 nan 8.270 nan 0.000 0.483 280 I N 4.446 124.962 120.570 -0.090 0.000 2.410 280 I HA 0.313 4.485 4.170 0.004 0.000 0.286 280 I C -2.258 173.955 176.117 0.160 0.000 1.009 280 I CA -2.928 58.376 61.300 0.006 0.000 1.111 280 I CB 1.604 39.627 38.000 0.039 0.000 1.262 280 I HN 0.426 nan 8.210 nan 0.000 0.443 281 P HA 0.378 nan 4.420 nan 0.000 0.284 281 P C -0.194 177.206 177.300 0.168 0.000 1.258 281 P CA -0.521 62.745 63.100 0.276 0.000 0.824 281 P CB 2.016 33.893 31.700 0.296 0.000 1.038 282 K N 0.410 120.901 120.400 0.151 0.000 2.367 282 K HA 0.360 4.682 4.320 0.004 0.000 0.195 282 K C 0.561 177.276 176.600 0.192 0.000 1.060 282 K CA 0.124 56.490 56.287 0.132 0.000 1.022 282 K CB 0.785 33.346 32.500 0.101 0.000 0.894 282 K HN 0.526 nan 8.250 nan 0.000 0.540 283 A N 1.496 124.436 122.820 0.200 0.000 2.414 283 A HA 0.665 4.987 4.320 0.004 0.000 0.306 283 A C -1.429 176.332 177.584 0.294 0.000 1.054 283 A CA -0.688 51.495 52.037 0.242 0.000 0.724 283 A CB 1.302 20.415 19.000 0.188 0.000 1.267 283 A HN 0.214 nan 8.150 nan 0.000 0.418 284 I N 1.234 121.942 120.570 0.230 0.000 2.582 284 I HA 0.673 4.846 4.170 0.004 0.000 0.292 284 I C -1.470 174.620 176.117 -0.045 0.000 1.066 284 I CA -0.496 60.850 61.300 0.076 0.000 1.053 284 I CB 1.722 39.791 38.000 0.115 0.000 1.241 284 I HN 0.846 nan 8.210 nan 0.000 0.421 285 H N 4.617 123.586 119.070 -0.168 0.000 2.622 285 H HA 0.623 5.181 4.556 0.004 0.000 0.363 285 H C -1.087 174.154 175.328 -0.145 0.000 1.151 285 H CA -0.468 55.515 56.048 -0.109 0.000 1.184 285 H CB 2.434 32.141 29.762 -0.092 0.000 1.643 285 H HN 0.268 nan 8.280 nan 0.000 0.531 286 V N 3.490 123.404 119.914 0.000 0.000 2.378 286 V HA 0.316 4.438 4.120 0.004 0.000 0.288 286 V C -0.613 175.479 176.094 -0.004 0.000 1.016 286 V CA -0.706 61.577 62.300 -0.029 0.000 0.840 286 V CB 1.453 33.257 31.823 -0.032 0.000 0.994 286 V HN 0.487 nan 8.190 nan 0.000 0.431 287 V N 4.096 124.001 119.914 -0.016 0.000 2.417 287 V HA 0.868 4.990 4.120 0.004 0.000 0.291 287 V C 0.310 176.389 176.094 -0.026 0.000 1.024 287 V CA -0.476 61.817 62.300 -0.013 0.000 0.861 287 V CB 1.504 33.316 31.823 -0.018 0.000 0.985 287 V HN 0.951 nan 8.190 nan 0.000 0.436 288 A N 4.201 127.006 122.820 -0.025 0.000 2.365 288 A HA 0.868 5.190 4.320 0.004 0.000 0.318 288 A C -0.864 176.700 177.584 -0.034 0.000 1.091 288 A CA -0.613 51.403 52.037 -0.036 0.000 0.763 288 A CB 1.876 20.854 19.000 -0.037 0.000 1.248 288 A HN 0.658 nan 8.150 nan 0.000 0.442 289 V N 2.941 122.830 119.914 -0.042 0.000 2.328 289 V HA 0.410 4.532 4.120 0.004 0.000 0.278 289 V C 0.870 176.940 176.094 -0.039 0.000 1.021 289 V CA -0.100 62.177 62.300 -0.037 0.000 0.838 289 V CB 0.952 32.751 31.823 -0.040 0.000 0.999 289 V HN 1.094 nan 8.190 nan 0.000 0.447 290 T N 1.057 115.593 114.554 -0.030 0.000 2.766 290 T HA 0.149 4.502 4.350 0.004 0.000 0.295 290 T C 1.329 176.014 174.700 -0.025 0.000 1.024 290 T CA 0.127 62.210 62.100 -0.028 0.000 1.018 290 T CB 0.773 69.629 68.868 -0.021 0.000 1.002 290 T HN 0.840 nan 8.240 nan 0.000 0.532 291 E N 0.955 121.142 120.200 -0.022 0.000 2.130 291 E HA -0.252 4.100 4.350 0.004 0.000 0.196 291 E C 0.623 177.218 176.600 -0.009 0.000 0.998 291 E CA 1.675 58.066 56.400 -0.015 0.000 0.806 291 E CB -0.558 29.135 29.700 -0.011 0.000 0.738 291 E HN 0.835 nan 8.360 nan 0.000 0.459 292 D N 1.869 122.264 120.400 -0.010 0.000 2.881 292 D HA 0.029 4.672 4.640 0.004 0.000 0.240 292 D C 0.363 176.657 176.300 -0.009 0.000 1.249 292 D CA -0.390 53.606 54.000 -0.007 0.000 0.839 292 D CB 0.141 40.936 40.800 -0.007 0.000 1.042 292 D HN 0.097 nan 8.370 nan 0.000 0.475 293 L N -0.054 121.162 121.223 -0.011 0.000 3.858 293 L HA -0.251 4.091 4.340 0.004 0.000 0.425 293 L C -0.175 176.685 176.870 -0.015 0.000 1.177 293 L CA 0.957 55.789 54.840 -0.013 0.000 0.943 293 L CB -2.432 39.621 42.059 -0.009 0.000 1.861 293 L HN 0.357 nan 8.230 nan 0.000 0.985 294 D N -0.420 119.970 120.400 -0.016 0.000 2.268 294 D HA 0.627 5.270 4.640 0.004 0.000 0.249 294 D C 0.269 176.557 176.300 -0.019 0.000 1.008 294 D CA -0.425 53.565 54.000 -0.016 0.000 0.939 294 D CB 1.133 41.925 40.800 -0.015 0.000 1.170 294 D HN 0.168 nan 8.370 nan 0.000 0.468 295 I N 2.440 122.999 120.570 -0.018 0.000 2.354 295 I HA 0.285 4.457 4.170 0.004 0.000 0.286 295 I C -0.679 175.429 176.117 -0.015 0.000 1.007 295 I CA -0.879 60.410 61.300 -0.019 0.000 1.167 295 I CB 1.570 39.557 38.000 -0.020 0.000 1.320 295 I HN 0.037 nan 8.210 nan 0.000 0.458 296 V N 5.356 125.262 119.914 -0.014 0.000 2.459 296 V HA 0.598 4.720 4.120 0.004 0.000 0.295 296 V C 0.046 176.138 176.094 -0.003 0.000 1.029 296 V CA -0.327 61.968 62.300 -0.009 0.000 0.874 296 V CB 1.878 33.694 31.823 -0.011 0.000 0.985 296 V HN 0.875 nan 8.190 nan 0.000 0.438 297 S N 5.468 121.174 115.700 0.011 0.000 2.595 297 S HA 0.882 5.355 4.470 0.004 0.000 0.281 297 S C -1.165 173.458 174.600 0.038 0.000 1.117 297 S CA -1.058 57.161 58.200 0.032 0.000 0.873 297 S CB 2.807 66.044 63.200 0.061 0.000 1.108 297 S HN 0.528 nan 8.310 nan 0.000 0.477 298 R N 0.455 120.971 120.500 0.026 0.000 2.522 298 R HA 0.688 5.030 4.340 0.004 0.000 0.283 298 R C -0.142 176.069 176.300 -0.149 0.000 1.074 298 R CA -0.284 55.797 56.100 -0.031 0.000 0.925 298 R CB 1.501 31.781 30.300 -0.033 0.000 1.205 298 R HN 1.065 nan 8.270 nan 0.000 0.436 299 G N 0.718 109.306 108.800 -0.354 0.000 3.015 299 G HA2 0.795 4.757 3.960 0.004 0.000 0.281 299 G HA3 0.795 4.757 3.960 0.004 0.000 0.281 299 G C -1.301 173.355 174.900 -0.407 0.000 1.386 299 G CA -0.587 44.050 45.100 -0.771 0.000 0.959 299 G HN 0.373 nan 8.290 nan 0.000 0.522 300 R N -0.738 119.577 120.500 -0.308 0.000 2.579 300 R HA 0.494 4.836 4.340 0.004 0.000 0.260 300 R C -1.513 174.802 176.300 0.024 0.000 1.103 300 R CA -0.444 55.583 56.100 -0.120 0.000 0.942 300 R CB 1.642 31.898 30.300 -0.074 0.000 1.251 300 R HN 0.587 nan 8.270 nan 0.000 0.450 301 T N 3.972 118.505 114.554 -0.034 0.000 2.824 301 T HA 0.537 4.889 4.350 0.004 0.000 0.280 301 T C -0.799 173.876 174.700 -0.041 0.000 0.995 301 T CA -0.232 61.910 62.100 0.071 0.000 1.009 301 T CB 0.572 69.458 68.868 0.030 0.000 0.955 301 T HN 0.234 nan 8.240 nan 0.000 0.452 302 F N 2.960 122.849 119.950 -0.100 0.000 2.483 302 F HA 0.425 4.954 4.527 0.004 0.000 0.329 302 F C -1.321 174.349 175.800 -0.216 0.000 1.064 302 F CA -2.460 55.405 58.000 -0.225 0.000 0.986 302 F CB 1.333 40.069 39.000 -0.441 0.000 1.218 302 F HN 0.331 nan 8.300 nan 0.000 0.484 303 P HA -0.014 nan 4.420 nan 0.000 0.245 303 P C -0.724 176.626 177.300 0.083 0.000 1.212 303 P CA 1.027 64.140 63.100 0.021 0.000 0.774 303 P CB -0.182 31.557 31.700 0.065 0.000 0.999 304 H N -3.211 115.970 119.070 0.185 0.000 2.960 304 H HA 0.696 5.254 4.556 0.004 0.000 0.303 304 H C 0.239 175.644 175.328 0.128 0.000 1.412 304 H CA -1.026 55.102 56.048 0.133 0.000 1.227 304 H CB 0.027 29.856 29.762 0.112 0.000 1.912 304 H HN -0.138 nan 8.280 nan 0.000 0.583 305 G N -0.280 108.693 108.800 0.287 0.000 2.606 305 G HA2 0.438 4.400 3.960 0.004 0.000 0.252 305 G HA3 0.438 4.400 3.960 0.004 0.000 0.252 305 G C -0.490 174.522 174.900 0.187 0.000 1.206 305 G CA -0.794 44.415 45.100 0.182 0.000 0.861 305 G HN 0.597 nan 8.290 nan 0.000 0.561 306 I N 1.004 121.609 120.570 0.059 0.000 2.359 306 I HA 0.254 4.426 4.170 0.004 0.000 0.294 306 I C 0.673 176.826 176.117 0.060 0.000 0.987 306 I CA -0.530 60.758 61.300 -0.020 0.000 1.225 306 I CB 1.777 39.747 38.000 -0.049 0.000 1.366 306 I HN 0.539 nan 8.210 nan 0.000 0.466 307 S N 4.960 120.670 115.700 0.017 0.000 2.687 307 S HA 0.319 4.792 4.470 0.004 0.000 0.283 307 S C 0.886 175.410 174.600 -0.127 0.000 1.170 307 S CA -0.782 57.407 58.200 -0.019 0.000 1.008 307 S CB 2.083 65.259 63.200 -0.039 0.000 1.026 307 S HN 0.726 nan 8.310 nan 0.000 0.541 308 K N 0.539 120.712 120.400 -0.378 0.000 2.063 308 K HA -0.197 4.125 4.320 0.004 0.000 0.208 308 K C 1.649 178.209 176.600 -0.067 0.000 1.048 308 K CA 1.944 57.891 56.287 -0.566 0.000 0.928 308 K CB -0.339 31.806 32.500 -0.591 0.000 0.713 308 K HN 0.701 nan 8.250 nan 0.000 0.442 309 E N -0.093 120.054 120.200 -0.089 0.000 2.038 309 E HA -0.163 4.189 4.350 0.004 0.000 0.195 309 E C 1.979 178.603 176.600 0.040 0.000 1.000 309 E CA 2.102 58.470 56.400 -0.053 0.000 0.803 309 E CB -0.601 29.046 29.700 -0.089 0.000 0.750 309 E HN 0.301 nan 8.360 nan 0.000 0.448 310 T N 0.609 115.170 114.554 0.011 0.000 2.665 310 T HA -0.257 4.095 4.350 0.004 0.000 0.268 310 T C 1.894 176.640 174.700 0.077 0.000 1.035 310 T CA 1.652 63.764 62.100 0.020 0.000 1.151 310 T CB -0.519 68.306 68.868 -0.072 0.000 0.862 310 T HN 0.323 nan 8.240 nan 0.000 0.438 311 A N 0.223 123.114 122.820 0.118 0.000 1.908 311 A HA -0.101 4.221 4.320 0.004 0.000 0.218 311 A C 2.046 179.771 177.584 0.236 0.000 1.181 311 A CA 1.491 53.676 52.037 0.246 0.000 0.627 311 A CB -1.104 18.138 19.000 0.402 0.000 0.818 311 A HN 0.576 nan 8.150 nan 0.000 0.445 312 Y N 1.186 121.539 120.300 0.087 0.000 2.097 312 Y HA -0.285 4.267 4.550 0.004 0.000 0.282 312 Y C 3.292 179.295 175.900 0.172 0.000 1.152 312 Y CA 2.325 60.476 58.100 0.084 0.000 1.136 312 Y CB -0.313 38.026 38.460 -0.202 0.000 0.975 312 Y HN 0.510 nan 8.280 nan 0.000 0.498 313 S N -0.551 115.309 115.700 0.268 0.000 2.383 313 S HA -0.205 4.267 4.470 0.004 0.000 0.227 313 S C 1.876 176.600 174.600 0.207 0.000 1.026 313 S CA 1.418 59.746 58.200 0.214 0.000 0.981 313 S CB -0.381 62.907 63.200 0.147 0.000 0.818 313 S HN 0.400 nan 8.310 nan 0.000 0.472 314 E N 2.267 122.591 120.200 0.208 0.000 2.150 314 E HA -0.078 4.275 4.350 0.004 0.000 0.193 314 E C 2.195 178.897 176.600 0.171 0.000 0.985 314 E CA 1.371 57.899 56.400 0.213 0.000 0.814 314 E CB -0.518 29.348 29.700 0.276 0.000 0.752 314 E HN 0.754 nan 8.360 nan 0.000 0.466 315 S N -0.944 114.862 115.700 0.176 0.000 2.399 315 S HA -0.114 4.358 4.470 0.004 0.000 0.231 315 S C 2.077 176.743 174.600 0.109 0.000 1.022 315 S CA 1.106 59.379 58.200 0.122 0.000 0.983 315 S CB -0.514 62.763 63.200 0.129 0.000 0.803 315 S HN 0.113 nan 8.310 nan 0.000 0.480 316 V N 2.392 122.410 119.914 0.172 0.000 2.358 316 V HA -0.137 3.985 4.120 0.004 0.000 0.246 316 V C 2.658 178.806 176.094 0.089 0.000 1.047 316 V CA 1.945 64.329 62.300 0.140 0.000 1.035 316 V CB -0.652 31.304 31.823 0.221 0.000 0.658 316 V HN 0.518 nan 8.190 nan 0.000 0.452 317 K N 0.077 120.535 120.400 0.097 0.000 2.026 317 K HA -0.092 4.230 4.320 0.004 0.000 0.208 317 K C 2.107 178.731 176.600 0.041 0.000 1.048 317 K CA 1.323 57.651 56.287 0.068 0.000 0.929 317 K CB -0.364 32.182 32.500 0.077 0.000 0.713 317 K HN 0.348 nan 8.250 nan 0.000 0.439 318 L N 0.862 122.108 121.223 0.037 0.000 2.131 318 L HA -0.181 4.162 4.340 0.004 0.000 0.210 318 L C 2.435 179.306 176.870 0.000 0.000 1.092 318 L CA 0.477 55.322 54.840 0.008 0.000 0.759 318 L CB -0.438 41.619 42.059 -0.004 0.000 0.903 318 L HN 0.167 nan 8.230 nan 0.000 0.435 319 L N -0.463 120.762 121.223 0.004 0.000 2.156 319 L HA -0.158 4.184 4.340 0.004 0.000 0.208 319 L C 2.506 179.373 176.870 -0.004 0.000 1.095 319 L CA 1.587 56.421 54.840 -0.011 0.000 0.770 319 L CB -0.519 41.525 42.059 -0.025 0.000 0.914 319 L HN 0.230 nan 8.230 nan 0.000 0.439 320 Q N -0.418 119.388 119.800 0.010 0.000 2.046 320 Q HA -0.258 4.085 4.340 0.004 0.000 0.200 320 Q C 2.241 178.245 176.000 0.007 0.000 0.975 320 Q CA 1.846 57.657 55.803 0.013 0.000 0.836 320 Q CB -0.216 28.538 28.738 0.026 0.000 0.896 320 Q HN 0.504 nan 8.270 nan 0.000 0.428 321 K N 0.975 121.378 120.400 0.005 0.000 2.032 321 K HA -0.166 4.157 4.320 0.004 0.000 0.209 321 K C 2.062 178.659 176.600 -0.004 0.000 1.048 321 K CA 1.155 57.442 56.287 -0.000 0.000 0.927 321 K CB -0.122 32.375 32.500 -0.004 0.000 0.712 321 K HN 0.120 nan 8.250 nan 0.000 0.441 322 I N 1.172 121.738 120.570 -0.007 0.000 2.091 322 I HA -0.371 3.801 4.170 0.004 0.000 0.239 322 I C 2.360 178.471 176.117 -0.009 0.000 1.061 322 I CA 1.407 62.701 61.300 -0.010 0.000 1.317 322 I CB -0.400 37.592 38.000 -0.014 0.000 1.031 322 I HN 0.231 nan 8.210 nan 0.000 0.401 323 L N 0.354 121.572 121.223 -0.009 0.000 1.990 323 L HA -0.300 4.042 4.340 0.004 0.000 0.213 323 L C 2.681 179.548 176.870 -0.005 0.000 1.072 323 L CA 1.891 56.726 54.840 -0.008 0.000 0.755 323 L CB -0.658 41.398 42.059 -0.006 0.000 0.889 323 L HN 0.335 nan 8.230 nan 0.000 0.432 324 E N 0.017 120.216 120.200 -0.002 0.000 2.160 324 E HA -0.239 4.113 4.350 0.004 0.000 0.195 324 E C 1.551 178.149 176.600 -0.003 0.000 0.991 324 E CA 1.304 57.704 56.400 -0.001 0.000 0.810 324 E CB 0.146 29.847 29.700 0.001 0.000 0.742 324 E HN 0.540 nan 8.360 nan 0.000 0.466 325 E N -0.189 120.008 120.200 -0.004 0.000 2.481 325 E HA 0.066 4.418 4.350 0.004 0.000 0.198 325 E C -0.620 175.976 176.600 -0.006 0.000 1.027 325 E CA 0.000 56.397 56.400 -0.005 0.000 0.900 325 E CB 0.539 30.235 29.700 -0.006 0.000 0.993 325 E HN 0.076 nan 8.360 nan 0.000 0.482 326 D N -0.049 120.347 120.400 -0.007 0.000 2.763 326 D HA 0.082 4.724 4.640 0.004 0.000 0.235 326 D C 0.083 176.378 176.300 -0.008 0.000 1.334 326 D CA -0.182 53.813 54.000 -0.008 0.000 0.950 326 D CB 1.278 42.072 40.800 -0.010 0.000 1.433 326 D HN -0.151 nan 8.370 nan 0.000 0.580 327 E N 1.415 121.611 120.200 -0.007 0.000 2.347 327 E HA -0.039 4.314 4.350 0.004 0.000 0.196 327 E C 0.146 176.741 176.600 -0.008 0.000 1.008 327 E CA 0.572 56.968 56.400 -0.007 0.000 0.852 327 E CB 0.268 29.965 29.700 -0.005 0.000 0.783 327 E HN 0.278 nan 8.360 nan 0.000 0.505 328 R N 1.727 122.221 120.500 -0.010 0.000 2.679 328 R HA 0.160 4.502 4.340 0.004 0.000 0.269 328 R C 0.135 176.426 176.300 -0.015 0.000 1.076 328 R CA -0.126 55.968 56.100 -0.012 0.000 1.160 328 R CB 0.402 30.694 30.300 -0.012 0.000 1.054 328 R HN -0.083 nan 8.270 nan 0.000 0.507 329 K N 1.324 121.714 120.400 -0.016 0.000 2.319 329 K HA 0.135 4.457 4.320 0.004 0.000 0.265 329 K C 0.006 176.588 176.600 -0.030 0.000 1.000 329 K CA 0.067 56.341 56.287 -0.021 0.000 0.943 329 K CB 0.478 32.967 32.500 -0.018 0.000 0.950 329 K HN 0.382 nan 8.250 nan 0.000 0.485 330 I N 2.542 123.087 120.570 -0.042 0.000 2.331 330 I HA 0.123 4.295 4.170 0.004 0.000 0.292 330 I C 1.540 177.610 176.117 -0.078 0.000 0.998 330 I CA -0.177 61.088 61.300 -0.057 0.000 1.267 330 I CB 1.342 39.304 38.000 -0.064 0.000 1.386 330 I HN 0.688 nan 8.210 nan 0.000 0.476 331 R N 5.150 125.605 120.500 -0.075 0.000 2.090 331 R HA 0.297 4.639 4.340 0.004 0.000 0.219 331 R C 0.389 176.611 176.300 -0.130 0.000 1.100 331 R CA 0.661 56.709 56.100 -0.087 0.000 0.991 331 R CB 0.383 30.651 30.300 -0.054 0.000 0.893 331 R HN 0.739 nan 8.270 nan 0.000 0.443 332 A N 0.568 123.320 122.820 -0.114 0.000 2.454 332 A HA 0.642 4.964 4.320 0.004 0.000 0.302 332 A C -1.568 175.951 177.584 -0.108 0.000 1.079 332 A CA -0.687 51.274 52.037 -0.126 0.000 0.731 332 A CB 1.637 20.589 19.000 -0.079 0.000 1.299 332 A HN 0.225 nan 8.150 nan 0.000 0.413 333 I N 0.330 120.837 120.570 -0.106 0.000 2.569 333 I HA 0.767 4.939 4.170 0.004 0.000 0.290 333 I C 0.135 176.233 176.117 -0.032 0.000 1.088 333 I CA 0.213 61.471 61.300 -0.070 0.000 1.047 333 I CB 2.075 40.026 38.000 -0.083 0.000 1.237 333 I HN 1.077 nan 8.210 nan 0.000 0.421 334 G N 5.351 114.134 108.800 -0.029 0.000 2.788 334 G HA2 0.729 4.692 3.960 0.004 0.000 0.293 334 G HA3 0.729 4.692 3.960 0.004 0.000 0.293 334 G C -1.679 173.195 174.900 -0.043 0.000 1.392 334 G CA -0.256 44.834 45.100 -0.017 0.000 0.810 334 G HN 1.001 nan 8.290 nan 0.000 0.508 335 V N -2.501 117.376 119.914 -0.061 0.000 3.040 335 V HA 0.946 5.068 4.120 0.004 0.000 0.312 335 V C -0.634 175.339 176.094 -0.201 0.000 1.115 335 V CA -1.317 60.883 62.300 -0.167 0.000 0.998 335 V CB 2.002 33.681 31.823 -0.240 0.000 1.042 335 V HN 1.012 nan 8.190 nan 0.000 0.433 336 R N 1.590 121.899 120.500 -0.318 0.000 2.515 336 R HA 0.666 5.008 4.340 0.004 0.000 0.291 336 R C -2.217 173.895 176.300 -0.312 0.000 1.046 336 R CA -0.424 55.544 56.100 -0.220 0.000 0.914 336 R CB 1.624 31.858 30.300 -0.110 0.000 1.191 336 R HN 0.707 nan 8.270 nan 0.000 0.435 337 F N 2.370 122.364 119.950 0.073 0.000 2.443 337 F HA 0.585 5.115 4.527 0.004 0.000 0.335 337 F C 0.498 176.282 175.800 -0.027 0.000 1.104 337 F CA -0.053 57.993 58.000 0.077 0.000 1.013 337 F CB 2.179 41.232 39.000 0.090 0.000 1.136 337 F HN 0.646 nan 8.300 nan 0.000 0.470 338 S N 0.515 116.222 115.700 0.011 0.000 2.752 338 S HA 0.593 5.066 4.470 0.004 0.000 0.284 338 S C -1.001 173.344 174.600 -0.425 0.000 1.189 338 S CA -1.302 56.619 58.200 -0.465 0.000 0.835 338 S CB 1.751 64.780 63.200 -0.285 0.000 1.192 338 S HN 0.621 nan 8.310 nan 0.000 0.506 339 K N 0.226 120.318 120.400 -0.513 0.000 3.239 339 K HA -0.126 4.196 4.320 0.004 0.000 0.270 339 K C -1.210 175.320 176.600 -0.116 0.000 1.049 339 K CA 0.318 56.466 56.287 -0.232 0.000 0.769 339 K CB -2.113 30.348 32.500 -0.064 0.000 1.305 339 K HN 0.451 nan 8.250 nan 0.000 0.469 340 F N 1.135 121.108 119.950 0.038 0.000 2.572 340 F HA 0.103 4.633 4.527 0.004 0.000 0.370 340 F C 1.753 177.567 175.800 0.022 0.000 1.103 340 F CA -0.702 57.310 58.000 0.021 0.000 1.286 340 F CB 0.075 39.077 39.000 0.004 0.000 1.105 340 F HN 0.041 nan 8.300 nan 0.000 0.583 341 I N 2.449 123.150 120.570 0.219 0.000 2.880 341 I HA -0.086 4.086 4.170 0.004 0.000 0.296 341 I C 0.723 176.907 176.117 0.111 0.000 1.220 341 I CA 0.490 61.869 61.300 0.131 0.000 1.435 341 I CB 0.075 38.136 38.000 0.101 0.000 1.339 341 I HN 0.743 nan 8.210 nan 0.000 0.583 342 E N 3.739 123.989 120.200 0.083 0.000 2.663 342 E HA -0.053 4.299 4.350 0.004 0.000 0.190 342 E C -1.149 175.493 176.600 0.071 0.000 1.367 342 E CA 0.262 56.702 56.400 0.065 0.000 0.699 342 E CB -0.688 29.044 29.700 0.053 0.000 1.132 342 E HN 0.867 nan 8.360 nan 0.000 0.402 343 A N 0.000 122.858 122.820 0.063 0.000 2.254 343 A HA 0.000 4.322 4.320 0.004 0.000 0.244 343 A CA 0.000 nan 52.037 nan 0.000 0.836 343 A CB 0.000 19.002 19.000 0.004 0.000 0.831 343 A HN 0.000 nan 8.150 nan 0.000 0.486