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 1btc_1_A DATA FIRST_RESID 5 DATA SEQUENCE SNMLLNYVPV YVMLPLGVVN VDNVFEDPDG LKEQLLQLRA AGVDGVMVDV DATA SEQUENCE WWGIIELKGP KQYDWRAYRS LFQLVQECGL TLQAIMSFHQ CGGNVGDIVN DATA SEQUENCE IPIPQWVLDI GESNHDIFYT NRSGTRNKEY LTVGVDNEPI FHGRTAIEIY DATA SEQUENCE SDYMKSFREN MSDFLESGLI IDIEVGLGPA GELRYPSYPQ SQGWEFPRIG DATA SEQUENCE EFQCYDKYLK ADFKAAVARA GHPEWELPDD AGKYNDVPES TGFFKSNGTY DATA SEQUENCE VTEKGKFFLT WYSNKLLNHG DQILDEANKA FLGCKVKLAI KVSGIHWWYK DATA SEQUENCE VENHAAELTA GYYNLNDRDG YRPIARMLSR HHAILNFTCL EMRDSEQPSD DATA SEQUENCE AKSGPQELVQ QVLSGGWRED IRVAGENALP RYDATAYNQI ILNAKPQGVN DATA SEQUENCE NNGPPKLSMF GVTYLRLSDD LLQKSNFNIF KKFVLKMHAD QDYCANPQKY DATA SEQUENCE NHAITPLKPS APKIPIEVLL EATKPTLPFP WLPETDMKVD G 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.588 174.600 -0.020 0.000 1.055 5 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 5 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 6 N N 0.879 119.568 118.700 -0.020 0.000 4.851 6 N HA 0.098 4.838 4.740 -0.000 0.000 0.190 6 N C -0.076 175.423 175.510 -0.018 0.000 1.101 6 N CA -0.488 52.550 53.050 -0.020 0.000 0.958 6 N CB 0.814 39.289 38.487 -0.021 0.000 1.570 6 N HN 0.490 nan 8.380 nan 0.000 0.601 7 M N 1.335 120.923 119.600 -0.020 0.000 2.358 7 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 7 M C 1.784 178.079 176.300 -0.008 0.000 1.064 7 M CA 0.990 56.277 55.300 -0.021 0.000 1.093 7 M CB -0.571 32.013 32.600 -0.025 0.000 1.401 7 M HN 0.553 nan 8.290 nan 0.000 0.440 8 L N 0.238 121.459 121.223 -0.004 0.000 2.201 8 L HA -0.125 4.214 4.340 -0.000 0.000 0.212 8 L C 1.824 178.713 176.870 0.032 0.000 1.105 8 L CA 1.143 55.988 54.840 0.008 0.000 0.775 8 L CB -0.645 41.397 42.059 -0.028 0.000 0.913 8 L HN 0.147 nan 8.230 nan 0.000 0.440 9 L N -0.284 120.954 121.223 0.024 0.000 2.353 9 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 9 L C 1.970 178.865 176.870 0.042 0.000 1.133 9 L CA 1.227 56.092 54.840 0.041 0.000 0.798 9 L CB -1.450 40.617 42.059 0.013 0.000 0.922 9 L HN 0.453 nan 8.230 nan 0.000 0.445 10 N N -1.683 117.027 118.700 0.016 0.000 2.467 10 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 10 N C 0.249 175.753 175.510 -0.011 0.000 1.106 10 N CA 0.013 53.056 53.050 -0.011 0.000 0.892 10 N CB 0.237 38.700 38.487 -0.042 0.000 0.969 10 N HN 0.216 nan 8.380 nan 0.000 0.454 11 Y N 1.918 122.105 120.300 -0.188 0.000 2.620 11 Y HA 0.046 4.596 4.550 -0.001 0.000 0.330 11 Y C -0.158 175.529 175.900 -0.356 0.000 1.186 11 Y CA 0.101 57.987 58.100 -0.357 0.000 1.467 11 Y CB 0.506 38.577 38.460 -0.648 0.000 1.262 11 Y HN -0.310 nan 8.280 nan 0.000 0.550 12 V N 9.405 129.170 119.914 -0.249 0.000 2.444 12 V HA 0.346 4.466 4.120 -0.000 0.000 0.294 12 V C -2.151 173.765 176.094 -0.296 0.000 1.022 12 V CA -2.010 60.187 62.300 -0.171 0.000 0.850 12 V CB 1.653 33.420 31.823 -0.094 0.000 0.992 12 V HN 0.711 nan 8.190 nan 0.000 0.426 13 P HA 0.241 nan 4.420 nan 0.000 0.275 13 P C -0.889 176.213 177.300 -0.330 0.000 1.228 13 P CA -0.046 62.898 63.100 -0.259 0.000 0.786 13 P CB 1.610 33.179 31.700 -0.218 0.000 0.927 14 V N 3.950 123.604 119.914 -0.433 0.000 2.495 14 V HA 0.359 4.478 4.120 -0.000 0.000 0.298 14 V C -0.405 175.427 176.094 -0.436 0.000 1.031 14 V CA -0.364 61.716 62.300 -0.365 0.000 0.871 14 V CB 0.809 32.342 31.823 -0.484 0.000 0.988 14 V HN 0.439 nan 8.190 nan 0.000 0.432 15 Y N 2.546 122.940 120.300 0.156 0.000 2.562 15 Y HA 0.780 5.330 4.550 -0.001 0.000 0.343 15 Y C -0.096 175.961 175.900 0.261 0.000 1.025 15 Y CA -1.118 57.092 58.100 0.183 0.000 1.082 15 Y CB 2.190 40.741 38.460 0.150 0.000 1.264 15 Y HN 0.322 nan 8.280 nan 0.000 0.478 16 V N 3.137 123.283 119.914 0.388 0.000 2.577 16 V HA 0.340 4.460 4.120 -0.000 0.000 0.303 16 V C -0.327 175.929 176.094 0.270 0.000 1.042 16 V CA -1.131 61.385 62.300 0.361 0.000 0.872 16 V CB 1.685 33.688 31.823 0.299 0.000 0.998 16 V HN 0.730 nan 8.190 nan 0.000 0.423 17 M N 4.894 124.638 119.600 0.241 0.000 2.228 17 M HA 0.348 4.828 4.480 -0.000 0.000 0.351 17 M C -0.271 176.125 176.300 0.159 0.000 1.233 17 M CA 0.114 55.514 55.300 0.168 0.000 1.129 17 M CB 0.442 33.119 32.600 0.127 0.000 1.604 17 M HN 0.424 nan 8.290 nan 0.000 0.457 18 L N 3.862 125.170 121.223 0.141 0.000 2.464 18 L HA 0.270 4.610 4.340 -0.000 0.000 0.264 18 L C -1.925 175.026 176.870 0.135 0.000 1.199 18 L CA -1.923 52.997 54.840 0.134 0.000 0.818 18 L CB 0.050 42.184 42.059 0.125 0.000 1.102 18 L HN 0.341 nan 8.230 nan 0.000 0.473 19 P HA -0.069 nan 4.420 nan 0.000 0.263 19 P C -0.455 176.935 177.300 0.149 0.000 1.175 19 P CA -0.295 62.880 63.100 0.124 0.000 0.761 19 P CB 0.217 31.983 31.700 0.110 0.000 0.794 20 L N 2.962 124.277 121.223 0.152 0.000 2.514 20 L HA 0.152 4.491 4.340 -0.000 0.000 0.280 20 L C 1.799 178.762 176.870 0.155 0.000 1.223 20 L CA 1.392 56.347 54.840 0.191 0.000 0.864 20 L CB -1.385 40.763 42.059 0.148 0.000 1.118 20 L HN 0.835 nan 8.230 nan 0.000 0.494 21 G N 2.629 111.544 108.800 0.192 0.000 2.168 21 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 21 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 21 G C 1.113 176.089 174.900 0.126 0.000 0.997 21 G CA 0.605 45.779 45.100 0.123 0.000 0.708 21 G HN 0.661 nan 8.290 nan 0.000 0.520 22 V N -0.496 119.503 119.914 0.143 0.000 2.380 22 V HA 0.023 4.143 4.120 -0.000 0.000 0.251 22 V C 1.757 177.927 176.094 0.127 0.000 1.063 22 V CA 2.654 65.037 62.300 0.138 0.000 1.055 22 V CB 0.091 31.971 31.823 0.095 0.000 0.657 22 V HN 1.465 nan 8.190 nan 0.000 0.455 23 V N 1.344 121.254 119.914 -0.007 0.000 2.513 23 V HA 0.606 4.726 4.120 -0.000 0.000 0.299 23 V C -0.159 175.965 176.094 0.049 0.000 1.035 23 V CA -0.542 61.744 62.300 -0.025 0.000 0.889 23 V CB 1.640 33.265 31.823 -0.330 0.000 0.988 23 V HN 0.723 nan 8.190 nan 0.000 0.440 24 N N 4.372 123.103 118.700 0.052 0.000 2.476 24 N HA 0.311 5.050 4.740 -0.000 0.000 0.287 24 N C 0.771 176.299 175.510 0.030 0.000 1.262 24 N CA 0.016 53.087 53.050 0.035 0.000 0.980 24 N CB 0.689 39.191 38.487 0.025 0.000 1.163 24 N HN 0.356 nan 8.380 nan 0.000 0.592 25 V N -0.423 119.486 119.914 -0.008 0.000 2.594 25 V HA -0.155 3.965 4.120 -0.000 0.000 0.253 25 V C 0.691 176.790 176.094 0.008 0.000 1.069 25 V CA 1.745 64.033 62.300 -0.019 0.000 1.082 25 V CB -0.783 31.009 31.823 -0.051 0.000 0.680 25 V HN 0.633 nan 8.190 nan 0.000 0.469 26 D N -0.156 120.253 120.400 0.014 0.000 2.328 26 D HA 0.020 4.659 4.640 -0.000 0.000 0.226 26 D C 0.776 177.097 176.300 0.036 0.000 1.066 26 D CA 0.089 54.101 54.000 0.020 0.000 0.861 26 D CB -0.256 40.553 40.800 0.014 0.000 0.912 26 D HN 0.377 nan 8.370 nan 0.000 0.521 27 N N 0.475 119.205 118.700 0.051 0.000 2.738 27 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 27 N C -1.355 174.185 175.510 0.049 0.000 1.047 27 N CA 0.217 53.305 53.050 0.064 0.000 0.707 27 N CB -1.245 37.287 38.487 0.074 0.000 0.937 27 N HN -0.027 nan 8.380 nan 0.000 0.545 28 V N 2.065 122.006 119.914 0.046 0.000 2.487 28 V HA 0.395 4.515 4.120 -0.000 0.000 0.298 28 V C 0.061 176.220 176.094 0.109 0.000 1.028 28 V CA -0.921 61.415 62.300 0.060 0.000 0.860 28 V CB 1.445 33.291 31.823 0.038 0.000 0.991 28 V HN 0.207 nan 8.190 nan 0.000 0.427 29 F N 4.461 124.369 119.950 -0.070 0.000 2.462 29 F HA 0.364 4.891 4.527 -0.000 0.000 0.354 29 F C 1.358 177.133 175.800 -0.042 0.000 1.192 29 F CA -0.797 57.154 58.000 -0.081 0.000 1.173 29 F CB 0.042 38.982 39.000 -0.100 0.000 1.402 29 F HN 0.723 nan 8.300 nan 0.000 0.595 30 E N 1.802 122.040 120.200 0.063 0.000 2.130 30 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 30 E C 0.002 176.488 176.600 -0.190 0.000 0.998 30 E CA 1.491 57.854 56.400 -0.063 0.000 0.806 30 E CB 0.125 29.828 29.700 0.005 0.000 0.738 30 E HN 0.515 nan 8.360 nan 0.000 0.459 31 D N -1.566 118.646 120.400 -0.314 0.000 2.668 31 D HA 0.119 4.758 4.640 -0.000 0.000 0.247 31 D C -2.290 173.750 176.300 -0.433 0.000 1.268 31 D CA -1.711 52.117 54.000 -0.286 0.000 0.842 31 D CB 0.968 41.702 40.800 -0.110 0.000 1.399 31 D HN -0.252 nan 8.370 nan 0.000 0.530 32 P HA -0.082 nan 4.420 nan 0.000 0.218 32 P C 0.778 177.973 177.300 -0.174 0.000 1.148 32 P CA 0.926 63.674 63.100 -0.586 0.000 0.822 32 P CB 0.373 31.754 31.700 -0.532 0.000 0.784 33 D N -0.831 119.480 120.400 -0.147 0.000 2.123 33 D HA -0.067 4.572 4.640 -0.000 0.000 0.200 33 D C 2.245 178.523 176.300 -0.037 0.000 0.976 33 D CA 1.577 55.536 54.000 -0.068 0.000 0.831 33 D CB -0.880 39.880 40.800 -0.066 0.000 0.974 33 D HN 0.200 nan 8.370 nan 0.000 0.469 34 G N 1.527 110.302 108.800 -0.043 0.000 2.404 34 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.215 34 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.215 34 G C 1.719 176.629 174.900 0.016 0.000 1.174 34 G CA -0.040 45.050 45.100 -0.016 0.000 0.780 34 G HN 0.171 nan 8.290 nan 0.000 0.537 35 L N 0.324 121.578 121.223 0.052 0.000 2.012 35 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 35 L C 2.899 179.826 176.870 0.095 0.000 1.073 35 L CA 2.074 56.985 54.840 0.117 0.000 0.748 35 L CB -0.348 41.867 42.059 0.261 0.000 0.891 35 L HN 0.300 nan 8.230 nan 0.000 0.431 36 K N 0.164 120.612 120.400 0.081 0.000 2.020 36 K HA -0.278 4.042 4.320 -0.000 0.000 0.212 36 K C 1.826 178.447 176.600 0.035 0.000 1.050 36 K CA 2.149 58.475 56.287 0.064 0.000 0.929 36 K CB -0.086 32.440 32.500 0.043 0.000 0.714 36 K HN 0.356 nan 8.250 nan 0.000 0.443 37 E N 0.138 120.345 120.200 0.012 0.000 2.118 37 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 37 E C 2.249 178.836 176.600 -0.021 0.000 0.992 37 E CA 1.559 57.954 56.400 -0.009 0.000 0.804 37 E CB 0.068 29.754 29.700 -0.023 0.000 0.741 37 E HN 0.414 nan 8.360 nan 0.000 0.458 38 Q N -0.185 119.609 119.800 -0.010 0.000 2.079 38 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 38 Q C 2.092 178.096 176.000 0.007 0.000 0.974 38 Q CA 0.707 56.497 55.803 -0.023 0.000 0.840 38 Q CB 0.013 28.752 28.738 0.002 0.000 0.898 38 Q HN 0.186 nan 8.270 nan 0.000 0.430 39 L N 0.413 121.661 121.223 0.042 0.000 2.141 39 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 39 L C 2.002 178.900 176.870 0.047 0.000 1.094 39 L CA 1.493 56.370 54.840 0.061 0.000 0.763 39 L CB -0.467 41.640 42.059 0.080 0.000 0.908 39 L HN 0.215 nan 8.230 nan 0.000 0.437 40 L N -1.598 119.644 121.223 0.031 0.000 2.156 40 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 40 L C 2.559 179.443 176.870 0.024 0.000 1.095 40 L CA 0.554 55.408 54.840 0.024 0.000 0.770 40 L CB -0.523 41.545 42.059 0.016 0.000 0.914 40 L HN 0.308 nan 8.230 nan 0.000 0.439 41 Q N -0.150 119.651 119.800 0.002 0.000 2.084 41 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 41 Q C 2.331 178.433 176.000 0.170 0.000 0.978 41 Q CA 1.406 57.205 55.803 -0.007 0.000 0.844 41 Q CB -0.314 28.298 28.738 -0.210 0.000 0.898 41 Q HN 0.353 nan 8.270 nan 0.000 0.426 42 L N 0.570 121.884 121.223 0.151 0.000 2.056 42 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 42 L C 2.497 179.431 176.870 0.108 0.000 1.078 42 L CA 1.539 56.502 54.840 0.205 0.000 0.749 42 L CB -0.776 41.370 42.059 0.145 0.000 0.901 42 L HN 0.112 nan 8.230 nan 0.000 0.433 43 R N 0.068 120.589 120.500 0.035 0.000 2.096 43 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 43 R C 2.103 178.364 176.300 -0.065 0.000 1.127 43 R CA 1.624 57.685 56.100 -0.064 0.000 0.968 43 R CB -0.628 29.647 30.300 -0.042 0.000 0.861 43 R HN 0.311 nan 8.270 nan 0.000 0.440 44 A N -0.060 122.775 122.820 0.025 0.000 1.969 44 A HA 0.091 4.410 4.320 -0.000 0.000 0.218 44 A C 2.236 179.851 177.584 0.052 0.000 1.169 44 A CA 1.359 53.422 52.037 0.043 0.000 0.635 44 A CB -0.725 18.324 19.000 0.082 0.000 0.810 44 A HN 0.456 nan 8.150 nan 0.000 0.445 45 A N -1.825 121.052 122.820 0.095 0.000 2.119 45 A HA 0.375 4.695 4.320 -0.000 0.000 0.217 45 A C 1.808 179.348 177.584 -0.075 0.000 1.153 45 A CA 1.460 53.505 52.037 0.012 0.000 0.692 45 A CB -0.695 18.326 19.000 0.034 0.000 0.799 45 A HN 1.830 nan 8.150 nan 0.000 0.458 46 G N -2.005 106.746 108.800 -0.081 0.000 2.148 46 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.203 46 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.203 46 G C 0.074 174.950 174.900 -0.039 0.000 0.993 46 G CA -0.076 44.985 45.100 -0.065 0.000 0.661 46 G HN 0.710 nan 8.290 nan 0.000 0.518 47 V N 1.000 120.859 119.914 -0.092 0.000 2.572 47 V HA 0.232 4.352 4.120 -0.000 0.000 0.291 47 V C 1.452 177.508 176.094 -0.063 0.000 1.039 47 V CA 1.118 63.394 62.300 -0.039 0.000 1.055 47 V CB 1.191 33.063 31.823 0.081 0.000 0.969 47 V HN 0.386 nan 8.190 nan 0.000 0.482 48 D N 2.520 122.919 120.400 -0.001 0.000 2.194 48 D HA 0.282 4.922 4.640 -0.000 0.000 0.204 48 D C 0.881 177.234 176.300 0.089 0.000 0.964 48 D CA 1.348 55.406 54.000 0.097 0.000 0.846 48 D CB 0.228 40.996 40.800 -0.054 0.000 0.962 48 D HN 0.787 nan 8.370 nan 0.000 0.490 49 G N -1.031 107.826 108.800 0.094 0.000 2.489 49 G HA2 0.490 4.450 3.960 -0.000 0.000 0.305 49 G HA3 0.490 4.450 3.960 -0.000 0.000 0.305 49 G C -1.641 173.472 174.900 0.355 0.000 1.311 49 G CA -0.305 44.986 45.100 0.318 0.000 0.813 49 G HN 0.240 nan 8.290 nan 0.000 0.480 50 V N -2.860 117.240 119.914 0.310 0.000 3.160 50 V HA 0.920 5.040 4.120 -0.000 0.000 0.310 50 V C -0.435 175.750 176.094 0.153 0.000 1.181 50 V CA -1.074 61.366 62.300 0.232 0.000 1.047 50 V CB 2.028 33.948 31.823 0.161 0.000 1.068 50 V HN 1.152 nan 8.190 nan 0.000 0.441 51 M N 2.502 122.178 119.600 0.127 0.000 2.395 51 M HA 0.852 5.332 4.480 -0.000 0.000 0.307 51 M C -2.109 174.229 176.300 0.064 0.000 1.091 51 M CA -0.702 54.630 55.300 0.055 0.000 0.919 51 M CB 1.988 34.618 32.600 0.051 0.000 1.662 51 M HN 0.882 nan 8.290 nan 0.000 0.440 52 V N 4.422 124.360 119.914 0.040 0.000 2.888 52 V HA 0.451 4.571 4.120 -0.000 0.000 0.309 52 V C -1.207 174.872 176.094 -0.025 0.000 1.114 52 V CA -0.637 61.709 62.300 0.077 0.000 0.940 52 V CB 2.506 34.446 31.823 0.195 0.000 1.021 52 V HN 0.910 nan 8.190 nan 0.000 0.426 53 D N 4.205 124.527 120.400 -0.131 0.000 2.383 53 D HA 0.208 4.848 4.640 -0.000 0.000 0.252 53 D C -0.383 175.621 176.300 -0.493 0.000 1.166 53 D CA 0.279 53.962 54.000 -0.528 0.000 0.879 53 D CB 1.899 42.028 40.800 -1.118 0.000 1.164 53 D HN 0.337 nan 8.370 nan 0.000 0.462 54 V N 4.102 123.699 119.914 -0.530 0.000 2.259 54 V HA 0.091 4.211 4.120 -0.000 0.000 0.267 54 V C -0.232 175.659 176.094 -0.338 0.000 1.051 54 V CA -0.898 61.093 62.300 -0.514 0.000 0.830 54 V CB -0.226 31.357 31.823 -0.400 0.000 1.080 54 V HN 0.457 nan 8.190 nan 0.000 0.467 55 W N 3.757 125.074 121.300 0.029 0.000 2.469 55 W HA 0.088 4.749 4.660 0.001 0.000 0.321 55 W C 1.099 177.699 176.519 0.135 0.000 1.415 55 W CA -0.199 57.168 57.345 0.037 0.000 1.308 55 W CB 0.342 29.843 29.460 0.070 0.000 1.368 55 W HN 0.811 nan 8.180 nan 0.000 0.546 56 W N 3.703 125.011 121.300 0.014 0.000 2.325 56 W HA -0.180 4.481 4.660 0.002 0.000 0.299 56 W C 1.827 178.451 176.519 0.174 0.000 1.215 56 W CA 2.170 59.494 57.345 -0.036 0.000 1.244 56 W CB -0.786 28.555 29.460 -0.199 0.000 1.140 56 W HN 0.386 nan 8.180 nan 0.000 0.523 57 G N 0.262 109.108 108.800 0.078 0.000 2.484 57 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 57 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 57 G C 1.552 176.454 174.900 0.003 0.000 1.130 57 G CA 1.073 46.095 45.100 -0.129 0.000 0.784 57 G HN 0.371 nan 8.290 nan 0.000 0.543 58 I N -0.041 120.619 120.570 0.151 0.000 2.296 58 I HA 0.048 4.218 4.170 -0.000 0.000 0.242 58 I C 2.487 178.696 176.117 0.154 0.000 1.087 58 I CA 0.593 61.990 61.300 0.161 0.000 1.393 58 I CB -0.097 38.071 38.000 0.281 0.000 1.093 58 I HN 0.075 nan 8.210 nan 0.000 0.421 59 I N 0.320 121.010 120.570 0.200 0.000 2.286 59 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 59 I C 1.871 178.082 176.117 0.157 0.000 1.104 59 I CA 1.315 62.663 61.300 0.079 0.000 1.397 59 I CB 0.017 37.970 38.000 -0.079 0.000 1.072 59 I HN 0.185 nan 8.210 nan 0.000 0.417 60 E N 0.808 121.211 120.200 0.339 0.000 2.499 60 E HA 0.024 4.374 4.350 -0.000 0.000 0.207 60 E C 1.478 178.260 176.600 0.303 0.000 1.034 60 E CA -0.192 56.425 56.400 0.361 0.000 1.098 60 E CB 0.367 30.509 29.700 0.736 0.000 1.148 60 E HN 0.216 nan 8.360 nan 0.000 0.447 61 L N 0.974 122.293 121.223 0.159 0.000 1.994 61 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 61 L C 1.869 178.859 176.870 0.200 0.000 1.071 61 L CA 1.930 56.849 54.840 0.132 0.000 0.745 61 L CB -0.173 41.922 42.059 0.059 0.000 0.892 61 L HN 0.042 nan 8.230 nan 0.000 0.431 62 K N -0.493 119.963 120.400 0.094 0.000 2.280 62 K HA 0.104 4.424 4.320 -0.000 0.000 0.202 62 K C 0.639 177.216 176.600 -0.039 0.000 1.047 62 K CA 0.709 57.017 56.287 0.035 0.000 0.942 62 K CB -0.200 32.290 32.500 -0.016 0.000 0.739 62 K HN 0.596 nan 8.250 nan 0.000 0.457 63 G N 0.077 108.768 108.800 -0.181 0.000 2.321 63 G HA2 0.080 4.040 3.960 -0.000 0.000 0.298 63 G HA3 0.080 4.040 3.960 -0.000 0.000 0.298 63 G C -3.220 171.113 174.900 -0.945 0.000 1.385 63 G CA -1.202 43.516 45.100 -0.636 0.000 0.856 63 G HN -0.293 nan 8.290 nan 0.000 0.584 64 P HA 0.188 nan 4.420 nan 0.000 0.260 64 P C 0.132 177.135 177.300 -0.496 0.000 1.185 64 P CA 0.564 63.099 63.100 -0.941 0.000 0.763 64 P CB 0.298 31.531 31.700 -0.779 0.000 0.776 65 K N 0.858 121.002 120.400 -0.426 0.000 3.020 65 K HA -0.223 4.096 4.320 -0.000 0.000 0.266 65 K C -0.205 175.996 176.600 -0.665 0.000 1.067 65 K CA 0.602 56.521 56.287 -0.614 0.000 0.780 65 K CB -1.049 31.332 32.500 -0.199 0.000 1.220 65 K HN 0.590 nan 8.250 nan 0.000 0.483 66 Q N 0.823 120.293 119.800 -0.551 0.000 2.835 66 Q HA 0.143 4.483 4.340 -0.000 0.000 0.235 66 Q C -0.770 175.054 176.000 -0.293 0.000 1.313 66 Q CA 0.223 55.832 55.803 -0.324 0.000 1.053 66 Q CB 0.017 28.627 28.738 -0.212 0.000 1.443 66 Q HN 0.164 nan 8.270 nan 0.000 0.576 67 Y N 0.246 120.540 120.300 -0.009 0.000 2.334 67 Y HA 0.325 4.875 4.550 -0.001 0.000 0.328 67 Y C 0.474 176.239 175.900 -0.223 0.000 1.130 67 Y CA -1.261 56.731 58.100 -0.181 0.000 1.163 67 Y CB 1.081 39.393 38.460 -0.248 0.000 1.207 67 Y HN 0.201 nan 8.280 nan 0.000 0.471 68 D N 2.057 122.346 120.400 -0.185 0.000 2.505 68 D HA 0.184 4.823 4.640 -0.000 0.000 0.250 68 D C -0.956 175.244 176.300 -0.166 0.000 1.164 68 D CA -0.838 53.109 54.000 -0.088 0.000 0.870 68 D CB 0.456 41.255 40.800 -0.002 0.000 1.160 68 D HN 0.612 nan 8.370 nan 0.000 0.549 69 W N 2.819 124.210 121.300 0.151 0.000 3.278 69 W HA 0.221 4.882 4.660 0.001 0.000 0.308 69 W C 1.934 178.514 176.519 0.102 0.000 1.253 69 W CA -0.503 56.915 57.345 0.122 0.000 1.759 69 W CB 0.476 29.966 29.460 0.051 0.000 1.093 69 W HN 0.286 nan 8.180 nan 0.000 0.648 70 R N 0.995 121.642 120.500 0.245 0.000 2.082 70 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 70 R C 2.458 178.833 176.300 0.125 0.000 1.136 70 R CA 2.119 58.322 56.100 0.172 0.000 0.935 70 R CB -1.022 29.354 30.300 0.127 0.000 0.842 70 R HN 0.133 nan 8.270 nan 0.000 0.430 71 A N -0.039 122.835 122.820 0.091 0.000 1.940 71 A HA -0.194 4.125 4.320 -0.000 0.000 0.219 71 A C 1.940 179.417 177.584 -0.179 0.000 1.176 71 A CA 1.347 53.388 52.037 0.006 0.000 0.631 71 A CB -0.765 18.225 19.000 -0.017 0.000 0.814 71 A HN 0.369 nan 8.150 nan 0.000 0.446 72 Y N -0.083 120.137 120.300 -0.132 0.000 2.224 72 Y HA -0.174 4.376 4.550 0.000 0.000 0.289 72 Y C 2.655 178.132 175.900 -0.705 0.000 1.146 72 Y CA 1.710 59.531 58.100 -0.465 0.000 1.182 72 Y CB -0.228 38.025 38.460 -0.345 0.000 0.983 72 Y HN 0.243 nan 8.280 nan 0.000 0.524 73 R N -0.598 119.814 120.500 -0.147 0.000 2.096 73 R HA -0.180 4.159 4.340 -0.000 0.000 0.240 73 R C 2.330 178.625 176.300 -0.009 0.000 1.139 73 R CA 1.766 57.858 56.100 -0.013 0.000 0.952 73 R CB -0.674 29.752 30.300 0.210 0.000 0.854 73 R HN 0.225 nan 8.270 nan 0.000 0.436 74 S N 1.244 116.959 115.700 0.025 0.000 2.382 74 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 74 S C 1.863 176.501 174.600 0.064 0.000 1.027 74 S CA 0.815 59.088 58.200 0.122 0.000 0.991 74 S CB -0.175 63.168 63.200 0.239 0.000 0.823 74 S HN 0.284 nan 8.310 nan 0.000 0.469 75 L N 0.196 121.253 121.223 -0.277 0.000 2.072 75 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 75 L C 1.854 178.665 176.870 -0.098 0.000 1.079 75 L CA 1.599 56.130 54.840 -0.514 0.000 0.752 75 L CB -0.363 41.184 42.059 -0.853 0.000 0.906 75 L HN 0.260 nan 8.230 nan 0.000 0.436 76 F N -0.000 119.771 119.950 -0.297 0.000 2.293 76 F HA -0.167 4.361 4.527 0.001 0.000 0.300 76 F C 2.779 178.330 175.800 -0.414 0.000 1.086 76 F CA 0.545 58.255 58.000 -0.483 0.000 1.375 76 F CB -1.079 37.320 39.000 -1.002 0.000 1.045 76 F HN 0.214 nan 8.300 nan 0.000 0.516 77 Q N 0.036 119.821 119.800 -0.025 0.000 2.050 77 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 77 Q C 2.436 178.535 176.000 0.165 0.000 0.980 77 Q CA 1.190 57.107 55.803 0.190 0.000 0.840 77 Q CB -0.787 28.100 28.738 0.248 0.000 0.898 77 Q HN 0.399 nan 8.270 nan 0.000 0.424 78 L N 0.179 121.497 121.223 0.158 0.000 2.093 78 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 78 L C 2.215 179.164 176.870 0.131 0.000 1.085 78 L CA 1.253 56.192 54.840 0.166 0.000 0.755 78 L CB -0.561 41.647 42.059 0.250 0.000 0.904 78 L HN -0.058 nan 8.230 nan 0.000 0.435 79 V N -0.246 119.733 119.914 0.107 0.000 2.343 79 V HA -0.340 3.779 4.120 -0.000 0.000 0.247 79 V C 2.573 178.719 176.094 0.086 0.000 1.051 79 V CA 2.069 64.422 62.300 0.089 0.000 1.036 79 V CB -0.733 31.130 31.823 0.067 0.000 0.654 79 V HN 0.673 nan 8.190 nan 0.000 0.451 80 Q N 0.149 120.006 119.800 0.095 0.000 2.050 80 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 80 Q C 2.187 178.255 176.000 0.113 0.000 0.980 80 Q CA 2.160 58.035 55.803 0.119 0.000 0.840 80 Q CB -0.159 28.690 28.738 0.185 0.000 0.898 80 Q HN 0.728 nan 8.270 nan 0.000 0.424 81 E N -0.498 119.772 120.200 0.117 0.000 2.160 81 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 81 E C 1.812 178.460 176.600 0.081 0.000 0.991 81 E CA 1.257 57.716 56.400 0.098 0.000 0.810 81 E CB -0.054 29.705 29.700 0.099 0.000 0.742 81 E HN 0.422 nan 8.360 nan 0.000 0.466 82 C N 0.377 119.725 119.300 0.080 0.000 2.539 82 C HA 0.197 4.657 4.460 -0.000 0.000 0.271 82 C C 1.531 176.551 174.990 0.051 0.000 1.412 82 C CA 0.399 59.455 59.018 0.063 0.000 1.729 82 C CB -1.302 26.478 27.740 0.067 0.000 1.739 82 C HN 0.676 nan 8.230 nan 0.000 0.570 83 G N 0.795 109.634 108.800 0.065 0.000 2.198 83 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.257 83 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.257 83 G C -0.290 174.651 174.900 0.068 0.000 1.042 83 G CA -0.035 45.105 45.100 0.068 0.000 0.791 83 G HN 0.536 nan 8.290 nan 0.000 0.502 84 L N 0.382 121.651 121.223 0.077 0.000 2.333 84 L HA 0.749 5.089 4.340 -0.000 0.000 0.269 84 L C 1.167 178.106 176.870 0.114 0.000 1.010 84 L CA -0.591 54.305 54.840 0.093 0.000 0.818 84 L CB 2.043 44.154 42.059 0.085 0.000 1.306 84 L HN 0.341 nan 8.230 nan 0.000 0.430 85 T N -0.328 114.321 114.554 0.158 0.000 2.810 85 T HA 0.584 4.934 4.350 -0.000 0.000 0.277 85 T C -0.601 174.167 174.700 0.113 0.000 0.973 85 T CA -0.715 61.470 62.100 0.142 0.000 0.949 85 T CB 1.697 70.686 68.868 0.203 0.000 1.075 85 T HN 0.323 nan 8.240 nan 0.000 0.537 86 L N 0.490 121.725 121.223 0.020 0.000 2.422 86 L HA 0.442 4.782 4.340 -0.000 0.000 0.264 86 L C -1.284 175.510 176.870 -0.126 0.000 0.984 86 L CA -0.611 54.192 54.840 -0.062 0.000 0.819 86 L CB 2.102 44.043 42.059 -0.197 0.000 1.330 86 L HN 0.905 nan 8.230 nan 0.000 0.410 87 Q N 3.315 123.028 119.800 -0.145 0.000 2.347 87 Q HA 0.674 5.014 4.340 -0.000 0.000 0.262 87 Q C -0.446 175.451 176.000 -0.172 0.000 0.980 87 Q CA -0.541 55.145 55.803 -0.194 0.000 0.867 87 Q CB 2.057 30.651 28.738 -0.240 0.000 1.242 87 Q HN 0.713 nan 8.270 nan 0.000 0.453 88 A N 4.095 126.789 122.820 -0.209 0.000 2.290 88 A HA 0.579 4.899 4.320 -0.000 0.000 0.310 88 A C -0.416 177.009 177.584 -0.265 0.000 1.202 88 A CA -0.578 51.329 52.037 -0.218 0.000 0.837 88 A CB 0.393 19.245 19.000 -0.248 0.000 1.139 88 A HN 0.772 nan 8.150 nan 0.000 0.509 89 I N 3.347 123.763 120.570 -0.256 0.000 2.321 89 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 89 I C -0.129 175.765 176.117 -0.371 0.000 0.998 89 I CA -0.440 60.694 61.300 -0.277 0.000 1.227 89 I CB 1.534 39.387 38.000 -0.244 0.000 1.368 89 I HN 0.500 nan 8.210 nan 0.000 0.466 90 M N 5.118 124.493 119.600 -0.374 0.000 2.775 90 M HA 0.139 4.619 4.480 -0.000 0.000 0.313 90 M C 0.004 175.848 176.300 -0.759 0.000 1.429 90 M CA 0.173 55.160 55.300 -0.523 0.000 1.494 90 M CB -0.431 31.974 32.600 -0.324 0.000 1.274 90 M HN 0.393 nan 8.290 nan 0.000 0.491 91 S N 3.152 118.428 115.700 -0.706 0.000 2.701 91 S HA 0.266 4.736 4.470 -0.000 0.000 0.317 91 S C 0.406 174.747 174.600 -0.431 0.000 1.149 91 S CA -0.373 57.497 58.200 -0.550 0.000 1.052 91 S CB -0.514 62.107 63.200 -0.965 0.000 1.257 91 S HN 0.386 nan 8.310 nan 0.000 0.532 92 F N 3.455 123.444 119.950 0.064 0.000 2.701 92 F HA 0.179 4.706 4.527 -0.001 0.000 0.295 92 F C 1.503 177.641 175.800 0.563 0.000 1.165 92 F CA -0.444 57.649 58.000 0.155 0.000 1.399 92 F CB -0.285 38.459 39.000 -0.427 0.000 0.996 92 F HN 0.567 nan 8.300 nan 0.000 0.513 93 H N -1.632 117.785 119.070 0.579 0.000 2.908 93 H HA 0.413 4.970 4.556 0.000 0.000 0.350 93 H C -0.916 174.687 175.328 0.459 0.000 1.217 93 H CA -1.224 55.149 56.048 0.543 0.000 1.168 93 H CB 0.921 30.926 29.762 0.405 0.000 1.891 93 H HN 0.129 nan 8.280 nan 0.000 0.566 94 Q N 0.654 120.679 119.800 0.375 0.000 2.261 94 Q HA 0.342 4.681 4.340 -0.000 0.000 0.252 94 Q C -1.002 175.051 176.000 0.089 0.000 0.915 94 Q CA -0.643 55.233 55.803 0.121 0.000 0.915 94 Q CB 1.083 29.872 28.738 0.085 0.000 1.204 94 Q HN 0.591 nan 8.270 nan 0.000 0.421 95 C N 4.897 124.021 119.300 -0.293 0.000 2.285 95 C HA 0.754 5.214 4.460 -0.000 0.000 0.335 95 C C 0.977 175.856 174.990 -0.186 0.000 1.267 95 C CA 0.996 59.827 59.018 -0.313 0.000 1.762 95 C CB -1.116 26.109 27.740 -0.858 0.000 2.365 95 C HN 1.097 nan 8.230 nan 0.000 0.527 96 G N 4.353 113.119 108.800 -0.058 0.000 2.552 96 G HA2 0.285 4.245 3.960 -0.000 0.000 0.265 96 G HA3 0.285 4.245 3.960 -0.000 0.000 0.265 96 G C 0.935 175.806 174.900 -0.048 0.000 1.234 96 G CA 0.745 45.817 45.100 -0.047 0.000 0.944 96 G HN 2.506 nan 8.290 nan 0.000 0.568 97 G N -1.790 106.980 108.800 -0.050 0.000 2.259 97 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 97 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 97 G C 0.303 175.186 174.900 -0.029 0.000 1.001 97 G CA 0.993 46.066 45.100 -0.045 0.000 0.627 97 G HN 1.770 nan 8.290 nan 0.000 0.501 98 N N -0.033 118.656 118.700 -0.019 0.000 2.405 98 N HA 0.524 5.263 4.740 -0.000 0.000 0.269 98 N C 0.275 175.779 175.510 -0.009 0.000 1.249 98 N CA -0.286 52.757 53.050 -0.011 0.000 0.974 98 N CB 1.558 40.045 38.487 -0.001 0.000 1.204 98 N HN 0.334 nan 8.380 nan 0.000 0.565 99 V N 1.038 120.948 119.914 -0.006 0.000 2.717 99 V HA 0.036 4.155 4.120 -0.000 0.000 0.302 99 V C 1.282 177.373 176.094 -0.005 0.000 1.097 99 V CA 1.677 63.973 62.300 -0.006 0.000 1.262 99 V CB -0.933 30.888 31.823 -0.003 0.000 0.846 99 V HN 0.916 nan 8.190 nan 0.000 0.485 100 G N 4.382 113.178 108.800 -0.007 0.000 2.258 100 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.274 100 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.274 100 G C 0.027 174.924 174.900 -0.006 0.000 1.021 100 G CA 0.424 45.520 45.100 -0.006 0.000 0.798 100 G HN 0.875 nan 8.290 nan 0.000 0.507 101 D N -0.117 120.278 120.400 -0.010 0.000 2.383 101 D HA 0.264 4.903 4.640 -0.000 0.000 0.252 101 D C 2.251 178.541 176.300 -0.016 0.000 1.166 101 D CA 0.138 54.131 54.000 -0.012 0.000 0.879 101 D CB 0.490 41.278 40.800 -0.020 0.000 1.164 101 D HN 0.432 nan 8.370 nan 0.000 0.462 102 I N 1.033 121.598 120.570 -0.008 0.000 2.151 102 I HA -0.176 3.994 4.170 -0.000 0.000 0.243 102 I C 0.973 177.078 176.117 -0.020 0.000 1.080 102 I CA 1.050 62.346 61.300 -0.006 0.000 1.339 102 I CB -0.269 37.737 38.000 0.009 0.000 1.039 102 I HN 0.071 nan 8.210 nan 0.000 0.409 103 V N 1.117 121.009 119.914 -0.036 0.000 2.876 103 V HA 0.525 4.645 4.120 -0.000 0.000 0.312 103 V C -1.524 174.506 176.094 -0.106 0.000 1.085 103 V CA -0.609 61.648 62.300 -0.071 0.000 0.945 103 V CB 1.940 33.722 31.823 -0.069 0.000 1.017 103 V HN 0.495 nan 8.190 nan 0.000 0.428 104 N N 4.910 123.532 118.700 -0.131 0.000 2.504 104 N HA 0.530 5.270 4.740 -0.000 0.000 0.280 104 N C -1.489 173.893 175.510 -0.213 0.000 1.052 104 N CA -0.300 52.659 53.050 -0.151 0.000 0.887 104 N CB 1.192 39.619 38.487 -0.099 0.000 1.323 104 N HN 0.599 nan 8.380 nan 0.000 0.509 105 I N 4.719 125.090 120.570 -0.332 0.000 2.420 105 I HA 0.416 4.586 4.170 -0.000 0.000 0.282 105 I C -2.128 173.810 176.117 -0.298 0.000 1.019 105 I CA -1.938 59.132 61.300 -0.384 0.000 1.130 105 I CB 1.951 39.512 38.000 -0.732 0.000 1.262 105 I HN 0.344 nan 8.210 nan 0.000 0.454 106 P HA 0.302 nan 4.420 nan 0.000 0.289 106 P C -0.178 177.025 177.300 -0.162 0.000 1.299 106 P CA -0.489 62.526 63.100 -0.140 0.000 0.766 106 P CB 0.589 32.217 31.700 -0.120 0.000 1.226 107 I N -3.716 116.747 120.570 -0.178 0.000 3.021 107 I HA 0.427 4.597 4.170 -0.000 0.000 0.303 107 I C -2.320 173.446 176.117 -0.586 0.000 1.044 107 I CA -2.777 58.274 61.300 -0.415 0.000 1.266 107 I CB -0.397 37.382 38.000 -0.369 0.000 1.447 107 I HN 0.065 nan 8.210 nan 0.000 0.593 108 P HA -0.099 nan 4.420 nan 0.000 0.257 108 P C 0.009 176.985 177.300 -0.540 0.000 1.162 108 P CA 0.573 63.214 63.100 -0.765 0.000 0.762 108 P CB 0.422 31.383 31.700 -1.233 0.000 0.753 109 Q N 5.355 125.017 119.800 -0.230 0.000 2.197 109 Q HA -0.187 4.152 4.340 -0.000 0.000 0.207 109 Q C 1.578 177.574 176.000 -0.006 0.000 0.984 109 Q CA 1.974 57.727 55.803 -0.083 0.000 0.869 109 Q CB -0.541 28.200 28.738 0.005 0.000 0.906 109 Q HN 0.687 nan 8.270 nan 0.000 0.426 110 W N -1.485 119.806 121.300 -0.015 0.000 2.402 110 W HA -0.045 4.614 4.660 -0.002 0.000 0.286 110 W C 1.255 177.831 176.519 0.095 0.000 1.221 110 W CA 0.871 58.248 57.345 0.054 0.000 1.257 110 W CB -0.782 28.713 29.460 0.058 0.000 1.120 110 W HN -0.006 nan 8.180 nan 0.000 0.551 111 V N 1.811 121.381 119.914 -0.573 0.000 2.379 111 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 111 V C 2.609 178.640 176.094 -0.105 0.000 1.044 111 V CA 1.356 63.374 62.300 -0.470 0.000 1.036 111 V CB -0.959 30.336 31.823 -0.879 0.000 0.664 111 V HN 0.027 nan 8.190 nan 0.000 0.453 112 L N 0.260 121.433 121.223 -0.084 0.000 2.127 112 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 112 L C 2.079 179.025 176.870 0.125 0.000 1.089 112 L CA 1.869 56.764 54.840 0.090 0.000 0.757 112 L CB -1.022 41.047 42.059 0.017 0.000 0.899 112 L HN 0.356 nan 8.230 nan 0.000 0.434 113 D N -0.944 119.516 120.400 0.101 0.000 2.178 113 D HA -0.116 4.523 4.640 -0.000 0.000 0.202 113 D C 2.391 178.750 176.300 0.100 0.000 0.974 113 D CA 1.015 55.083 54.000 0.113 0.000 0.841 113 D CB 0.043 40.930 40.800 0.144 0.000 0.953 113 D HN 0.332 nan 8.370 nan 0.000 0.478 114 I N 0.771 121.405 120.570 0.107 0.000 2.252 114 I HA -0.127 4.042 4.170 -0.000 0.000 0.245 114 I C 2.414 178.525 176.117 -0.008 0.000 1.102 114 I CA 1.170 62.497 61.300 0.045 0.000 1.385 114 I CB -0.310 37.739 38.000 0.080 0.000 1.064 114 I HN 0.002 nan 8.210 nan 0.000 0.414 115 G N 0.159 108.982 108.800 0.038 0.000 2.559 115 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.216 115 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.216 115 G C 1.460 176.394 174.900 0.058 0.000 1.126 115 G CA 0.236 45.372 45.100 0.060 0.000 0.778 115 G HN 0.305 nan 8.290 nan 0.000 0.543 116 E N 1.015 121.233 120.200 0.031 0.000 2.152 116 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 116 E C 2.653 179.128 176.600 -0.208 0.000 0.983 116 E CA 1.366 57.745 56.400 -0.035 0.000 0.818 116 E CB -0.088 29.638 29.700 0.042 0.000 0.758 116 E HN 0.603 nan 8.360 nan 0.000 0.467 117 S N -0.571 115.032 115.700 -0.161 0.000 2.524 117 S HA 0.080 4.550 4.470 -0.000 0.000 0.215 117 S C 0.546 175.040 174.600 -0.177 0.000 0.986 117 S CA -0.399 57.710 58.200 -0.152 0.000 0.911 117 S CB -0.070 63.091 63.200 -0.066 0.000 0.805 117 S HN 0.118 nan 8.310 nan 0.000 0.501 118 N N 0.093 118.665 118.700 -0.212 0.000 2.685 118 N HA 0.314 5.053 4.740 -0.000 0.000 0.252 118 N C -0.308 175.143 175.510 -0.098 0.000 1.261 118 N CA -0.391 52.587 53.050 -0.120 0.000 0.768 118 N CB 0.502 38.938 38.487 -0.085 0.000 1.304 118 N HN 0.163 nan 8.380 nan 0.000 0.536 119 H N 0.474 119.616 119.070 0.120 0.000 2.521 119 H HA -0.005 4.551 4.556 -0.001 0.000 0.286 119 H C 0.469 175.926 175.328 0.216 0.000 1.034 119 H CA 0.740 56.928 56.048 0.234 0.000 1.278 119 H CB 0.411 30.309 29.762 0.227 0.000 1.386 119 H HN 0.544 nan 8.280 nan 0.000 0.567 120 D N 0.973 121.513 120.400 0.234 0.000 2.363 120 D HA -0.038 4.602 4.640 -0.000 0.000 0.226 120 D C 1.684 178.143 176.300 0.265 0.000 1.020 120 D CA 0.443 54.587 54.000 0.241 0.000 0.892 120 D CB 0.124 40.988 40.800 0.107 0.000 0.900 120 D HN 0.651 nan 8.370 nan 0.000 0.531 121 I N -3.156 117.419 120.570 0.009 0.000 3.428 121 I HA 0.064 4.234 4.170 -0.000 0.000 0.286 121 I C -0.017 175.891 176.117 -0.347 0.000 1.287 121 I CA 0.201 61.381 61.300 -0.199 0.000 1.396 121 I CB -0.149 37.661 38.000 -0.316 0.000 1.062 121 I HN -0.332 nan 8.210 nan 0.000 0.471 122 F N 0.220 120.254 119.950 0.140 0.000 2.432 122 F HA 0.499 5.026 4.527 -0.001 0.000 0.329 122 F C 0.087 175.986 175.800 0.165 0.000 1.076 122 F CA -1.087 56.981 58.000 0.115 0.000 1.018 122 F CB 0.242 39.344 39.000 0.170 0.000 1.201 122 F HN -0.240 nan 8.300 nan 0.000 0.489 123 Y N 0.651 121.206 120.300 0.425 0.000 2.610 123 Y HA 0.246 4.796 4.550 -0.001 0.000 0.332 123 Y C 0.626 176.731 175.900 0.342 0.000 1.201 123 Y CA 0.075 58.393 58.100 0.364 0.000 1.465 123 Y CB 0.042 38.706 38.460 0.340 0.000 1.283 123 Y HN 0.396 nan 8.280 nan 0.000 0.563 124 T N 5.015 119.888 114.554 0.532 0.000 2.881 124 T HA 0.266 4.615 4.350 -0.000 0.000 0.290 124 T C -0.260 174.692 174.700 0.420 0.000 1.000 124 T CA -1.219 61.124 62.100 0.404 0.000 0.978 124 T CB 0.810 69.895 68.868 0.362 0.000 0.997 124 T HN 0.621 nan 8.240 nan 0.000 0.443 125 N N 2.125 120.990 118.700 0.276 0.000 2.418 125 N HA 0.240 4.980 4.740 -0.000 0.000 0.283 125 N C 1.149 176.508 175.510 -0.251 0.000 1.267 125 N CA -0.886 52.251 53.050 0.145 0.000 0.975 125 N CB 0.697 39.239 38.487 0.091 0.000 1.167 125 N HN 0.515 nan 8.380 nan 0.000 0.581 126 R N -0.458 119.564 120.500 -0.796 0.000 2.096 126 R HA -0.030 4.309 4.340 -0.000 0.000 0.235 126 R C 1.450 177.488 176.300 -0.436 0.000 1.127 126 R CA 1.491 56.935 56.100 -1.093 0.000 0.968 126 R CB -0.280 29.493 30.300 -0.878 0.000 0.861 126 R HN 0.665 nan 8.270 nan 0.000 0.440 127 S N -0.820 114.728 115.700 -0.254 0.000 2.507 127 S HA 0.025 4.495 4.470 -0.000 0.000 0.235 127 S C 1.181 175.745 174.600 -0.061 0.000 0.988 127 S CA 0.920 59.047 58.200 -0.122 0.000 0.944 127 S CB 0.352 63.513 63.200 -0.064 0.000 0.762 127 S HN 0.714 nan 8.310 nan 0.000 0.526 128 G N 1.129 109.907 108.800 -0.036 0.000 2.131 128 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.223 128 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.223 128 G C 0.037 174.965 174.900 0.048 0.000 0.990 128 G CA 0.070 45.184 45.100 0.023 0.000 0.671 128 G HN 0.455 nan 8.290 nan 0.000 0.521 129 T N 1.263 115.858 114.554 0.068 0.000 2.817 129 T HA 0.558 4.908 4.350 -0.000 0.000 0.293 129 T C 0.482 175.264 174.700 0.136 0.000 0.964 129 T CA -0.276 61.875 62.100 0.084 0.000 1.085 129 T CB 1.128 70.057 68.868 0.102 0.000 0.921 129 T HN 0.265 nan 8.240 nan 0.000 0.502 130 R N 3.068 123.628 120.500 0.101 0.000 2.248 130 R HA 0.244 4.584 4.340 -0.000 0.000 0.328 130 R C 0.182 176.517 176.300 0.058 0.000 1.067 130 R CA -0.320 55.859 56.100 0.132 0.000 0.924 130 R CB -0.278 30.071 30.300 0.082 0.000 1.013 130 R HN 0.599 nan 8.270 nan 0.000 0.454 131 N N 1.576 120.370 118.700 0.157 0.000 2.426 131 N HA 0.091 4.830 4.740 -0.000 0.000 0.257 131 N C -0.012 175.522 175.510 0.041 0.000 1.002 131 N CA -0.358 52.757 53.050 0.108 0.000 0.942 131 N CB 0.658 39.277 38.487 0.221 0.000 1.112 131 N HN 0.331 nan 8.380 nan 0.000 0.499 132 K N 1.998 122.284 120.400 -0.190 0.000 2.417 132 K HA 0.031 4.351 4.320 -0.000 0.000 0.196 132 K C 0.379 177.012 176.600 0.054 0.000 1.023 132 K CA 0.244 56.301 56.287 -0.384 0.000 1.122 132 K CB 0.369 32.507 32.500 -0.604 0.000 0.850 132 K HN 0.646 nan 8.250 nan 0.000 0.521 133 E N 0.025 120.326 120.200 0.169 0.000 2.338 133 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 133 E C -0.550 176.315 176.600 0.441 0.000 1.007 133 E CA 0.780 57.334 56.400 0.256 0.000 0.849 133 E CB 0.093 29.942 29.700 0.248 0.000 0.774 133 E HN 0.155 nan 8.360 nan 0.000 0.506 134 Y N -0.828 119.664 120.300 0.319 0.000 2.583 134 Y HA 0.172 4.722 4.550 -0.001 0.000 0.330 134 Y C -1.804 174.238 175.900 0.236 0.000 1.185 134 Y CA -1.163 57.127 58.100 0.316 0.000 1.107 134 Y CB 0.753 39.391 38.460 0.296 0.000 1.344 134 Y HN -0.250 nan 8.280 nan 0.000 0.463 135 L N 4.052 125.008 121.223 -0.444 0.000 2.360 135 L HA 0.279 4.619 4.340 -0.000 0.000 0.276 135 L C 0.823 177.380 176.870 -0.521 0.000 1.121 135 L CA 0.374 54.987 54.840 -0.377 0.000 0.845 135 L CB 0.785 42.618 42.059 -0.376 0.000 1.143 135 L HN 0.773 nan 8.230 nan 0.000 0.452 136 T N 2.269 116.465 114.554 -0.597 0.000 2.946 136 T HA -0.029 4.320 4.350 -0.000 0.000 0.312 136 T C 1.438 175.916 174.700 -0.371 0.000 1.066 136 T CA 0.448 62.028 62.100 -0.867 0.000 1.138 136 T CB 0.490 69.100 68.868 -0.429 0.000 1.014 136 T HN 0.507 nan 8.240 nan 0.000 0.544 137 V N 4.938 124.701 119.914 -0.252 0.000 2.828 137 V HA 0.031 4.151 4.120 -0.000 0.000 0.260 137 V C 2.211 178.295 176.094 -0.017 0.000 1.101 137 V CA 2.571 64.818 62.300 -0.089 0.000 1.123 137 V CB -1.175 30.533 31.823 -0.191 0.000 0.704 137 V HN 1.068 nan 8.190 nan 0.000 0.493 138 G N 0.168 108.970 108.800 0.004 0.000 2.432 138 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.219 138 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.219 138 G C 1.391 176.169 174.900 -0.204 0.000 1.135 138 G CA 1.388 46.511 45.100 0.039 0.000 0.767 138 G HN 1.013 nan 8.290 nan 0.000 0.550 139 V N -2.044 117.697 119.914 -0.289 0.000 3.514 139 V HA 0.226 4.346 4.120 -0.000 0.000 0.301 139 V C 1.428 177.424 176.094 -0.162 0.000 1.346 139 V CA 0.545 62.626 62.300 -0.365 0.000 1.156 139 V CB 0.162 31.799 31.823 -0.311 0.000 1.029 139 V HN -0.035 nan 8.190 nan 0.000 0.428 140 D N 2.776 123.115 120.400 -0.102 0.000 2.158 140 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 140 D C 1.249 177.500 176.300 -0.082 0.000 0.995 140 D CA 2.164 56.122 54.000 -0.070 0.000 0.846 140 D CB -0.218 40.597 40.800 0.024 0.000 0.941 140 D HN 0.703 nan 8.370 nan 0.000 0.456 141 N N -0.109 118.550 118.700 -0.068 0.000 2.351 141 N HA 0.067 4.807 4.740 -0.000 0.000 0.254 141 N C -0.813 174.660 175.510 -0.063 0.000 1.241 141 N CA -0.172 52.847 53.050 -0.052 0.000 0.883 141 N CB 0.991 39.465 38.487 -0.022 0.000 1.202 141 N HN -0.081 nan 8.380 nan 0.000 0.512 142 E N 1.692 121.824 120.200 -0.112 0.000 2.146 142 E HA 0.150 4.500 4.350 -0.000 0.000 0.282 142 E C -2.150 174.372 176.600 -0.130 0.000 0.989 142 E CA -1.939 54.372 56.400 -0.149 0.000 0.799 142 E CB 1.440 30.952 29.700 -0.312 0.000 1.088 142 E HN 0.134 nan 8.360 nan 0.000 0.397 143 P HA 0.120 nan 4.420 nan 0.000 0.220 143 P C 0.564 177.788 177.300 -0.126 0.000 1.778 143 P CA 0.163 63.224 63.100 -0.065 0.000 0.912 143 P CB -0.709 30.972 31.700 -0.031 0.000 1.861 144 I N -5.312 115.079 120.570 -0.299 0.000 3.941 144 I HA 0.358 4.528 4.170 -0.000 0.000 0.335 144 I C -0.414 175.338 176.117 -0.609 0.000 1.402 144 I CA -0.431 60.594 61.300 -0.459 0.000 1.112 144 I CB -0.283 37.374 38.000 -0.571 0.000 1.043 144 I HN -0.280 nan 8.210 nan 0.000 0.395 145 F N 3.086 123.003 119.950 -0.055 0.000 2.334 145 F HA 0.476 5.002 4.527 -0.001 0.000 0.343 145 F C 0.316 176.173 175.800 0.095 0.000 1.136 145 F CA -0.847 57.164 58.000 0.018 0.000 1.237 145 F CB -0.441 38.644 39.000 0.142 0.000 1.525 145 F HN 0.135 nan 8.300 nan 0.000 0.528 146 H N 1.009 120.193 119.070 0.189 0.000 2.692 146 H HA -0.191 4.365 4.556 -0.000 0.000 0.316 146 H C 1.530 176.893 175.328 0.058 0.000 1.176 146 H CA 0.856 56.958 56.048 0.090 0.000 1.142 146 H CB -1.091 28.701 29.762 0.049 0.000 1.475 146 H HN 0.950 nan 8.280 nan 0.000 0.423 147 G N -0.505 108.352 108.800 0.095 0.000 2.217 147 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.246 147 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.246 147 G C 0.493 175.439 174.900 0.076 0.000 0.990 147 G CA 0.420 45.560 45.100 0.067 0.000 0.627 147 G HN 0.555 nan 8.290 nan 0.000 0.522 148 R N 0.338 120.919 120.500 0.135 0.000 2.598 148 R HA 0.603 4.943 4.340 -0.000 0.000 0.279 148 R C -0.074 176.328 176.300 0.169 0.000 0.984 148 R CA -0.312 55.869 56.100 0.135 0.000 0.999 148 R CB 1.089 31.488 30.300 0.165 0.000 1.114 148 R HN 0.118 nan 8.270 nan 0.000 0.493 149 T N 0.760 115.364 114.554 0.083 0.000 2.904 149 T HA 0.155 4.504 4.350 -0.000 0.000 0.290 149 T C 1.350 176.038 174.700 -0.021 0.000 1.018 149 T CA 0.060 62.186 62.100 0.044 0.000 1.075 149 T CB 1.424 70.276 68.868 -0.027 0.000 0.986 149 T HN 0.715 nan 8.240 nan 0.000 0.523 150 A N 2.932 125.683 122.820 -0.114 0.000 1.933 150 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 150 A C 2.181 179.196 177.584 -0.949 0.000 1.175 150 A CA 1.381 53.037 52.037 -0.635 0.000 0.628 150 A CB -0.724 17.901 19.000 -0.626 0.000 0.814 150 A HN 0.878 nan 8.150 nan 0.000 0.444 151 I N -0.485 119.769 120.570 -0.528 0.000 2.286 151 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 151 I C 2.349 178.298 176.117 -0.280 0.000 1.115 151 I CA 1.476 62.545 61.300 -0.385 0.000 1.392 151 I CB -0.465 37.436 38.000 -0.165 0.000 1.065 151 I HN 0.439 nan 8.210 nan 0.000 0.418 152 E N 0.959 121.042 120.200 -0.196 0.000 2.150 152 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 152 E C 2.268 178.818 176.600 -0.084 0.000 0.985 152 E CA 1.059 57.406 56.400 -0.088 0.000 0.814 152 E CB -0.016 29.669 29.700 -0.025 0.000 0.752 152 E HN 0.511 nan 8.360 nan 0.000 0.466 153 I N 0.332 120.773 120.570 -0.214 0.000 2.252 153 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 153 I C 1.896 177.905 176.117 -0.180 0.000 1.102 153 I CA 1.035 62.250 61.300 -0.142 0.000 1.385 153 I CB -0.225 37.592 38.000 -0.305 0.000 1.064 153 I HN 0.123 nan 8.210 nan 0.000 0.414 154 Y N -0.053 119.962 120.300 -0.475 0.000 2.314 154 Y HA -0.134 4.415 4.550 -0.001 0.000 0.293 154 Y C 2.959 178.768 175.900 -0.152 0.000 1.129 154 Y CA 0.819 58.485 58.100 -0.723 0.000 1.201 154 Y CB -1.196 36.619 38.460 -1.076 0.000 0.999 154 Y HN 0.097 nan 8.280 nan 0.000 0.541 155 S N -0.192 115.528 115.700 0.033 0.000 2.368 155 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 155 S C 1.679 176.360 174.600 0.134 0.000 1.029 155 S CA 1.482 59.729 58.200 0.079 0.000 0.988 155 S CB -0.266 62.948 63.200 0.024 0.000 0.838 155 S HN 0.374 nan 8.310 nan 0.000 0.462 156 D N -0.227 120.277 120.400 0.173 0.000 2.144 156 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 156 D C 1.560 178.036 176.300 0.293 0.000 0.978 156 D CA 1.024 55.167 54.000 0.240 0.000 0.833 156 D CB -0.509 40.484 40.800 0.322 0.000 0.961 156 D HN 0.580 nan 8.370 nan 0.000 0.470 157 Y N 0.907 121.364 120.300 0.260 0.000 2.128 157 Y HA -0.189 4.360 4.550 -0.001 0.000 0.284 157 Y C 2.366 178.396 175.900 0.216 0.000 1.154 157 Y CA 1.570 59.825 58.100 0.260 0.000 1.149 157 Y CB -0.140 38.614 38.460 0.491 0.000 0.976 157 Y HN -0.124 nan 8.280 nan 0.000 0.505 158 M N -0.312 119.524 119.600 0.393 0.000 2.229 158 M HA -0.205 4.275 4.480 -0.000 0.000 0.264 158 M C 2.026 178.281 176.300 -0.074 0.000 1.063 158 M CA 1.661 57.094 55.300 0.221 0.000 1.114 158 M CB -0.197 32.573 32.600 0.282 0.000 1.387 158 M HN 0.158 nan 8.290 nan 0.000 0.420 159 K N -0.549 119.807 120.400 -0.073 0.000 2.057 159 K HA -0.094 4.225 4.320 -0.000 0.000 0.206 159 K C 2.238 178.741 176.600 -0.162 0.000 1.050 159 K CA 1.458 57.653 56.287 -0.152 0.000 0.935 159 K CB -0.215 32.250 32.500 -0.059 0.000 0.715 159 K HN 0.150 nan 8.250 nan 0.000 0.439 160 S N 0.481 116.098 115.700 -0.139 0.000 2.383 160 S HA -0.145 4.325 4.470 -0.000 0.000 0.227 160 S C 1.748 176.066 174.600 -0.470 0.000 1.026 160 S CA 0.821 58.904 58.200 -0.195 0.000 0.981 160 S CB -0.283 62.739 63.200 -0.297 0.000 0.818 160 S HN 0.322 nan 8.310 nan 0.000 0.472 161 F N 2.977 122.508 119.950 -0.698 0.000 2.069 161 F HA -0.036 4.490 4.527 -0.001 0.000 0.298 161 F C 2.583 178.054 175.800 -0.549 0.000 1.113 161 F CA 1.975 59.376 58.000 -0.998 0.000 1.214 161 F CB -0.473 38.193 39.000 -0.558 0.000 0.978 161 F HN 0.104 nan 8.300 nan 0.000 0.474 162 R N 0.738 121.079 120.500 -0.265 0.000 2.091 162 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 162 R C 2.070 178.194 176.300 -0.294 0.000 1.136 162 R CA 2.256 58.188 56.100 -0.281 0.000 0.959 162 R CB -0.518 29.508 30.300 -0.458 0.000 0.856 162 R HN 0.457 nan 8.270 nan 0.000 0.437 163 E N -0.317 119.708 120.200 -0.292 0.000 2.072 163 E HA -0.067 4.282 4.350 -0.000 0.000 0.190 163 E C 1.705 178.151 176.600 -0.257 0.000 0.982 163 E CA 0.877 57.146 56.400 -0.218 0.000 0.803 163 E CB -0.017 29.594 29.700 -0.148 0.000 0.755 163 E HN 0.378 nan 8.360 nan 0.000 0.453 164 N N -0.133 118.326 118.700 -0.402 0.000 2.463 164 N HA -0.014 4.726 4.740 -0.000 0.000 0.181 164 N C 0.773 176.063 175.510 -0.367 0.000 1.078 164 N CA 0.689 53.512 53.050 -0.379 0.000 0.902 164 N CB 0.356 38.531 38.487 -0.520 0.000 0.970 164 N HN 0.173 nan 8.380 nan 0.000 0.451 165 M N 0.050 119.365 119.600 -0.474 0.000 2.484 165 M HA 0.142 4.622 4.480 -0.000 0.000 0.307 165 M C 1.505 177.703 176.300 -0.170 0.000 1.149 165 M CA 0.135 55.277 55.300 -0.264 0.000 0.972 165 M CB -0.223 32.013 32.600 -0.608 0.000 1.400 165 M HN -0.027 nan 8.290 nan 0.000 0.508 166 S N 0.983 116.566 115.700 -0.194 0.000 2.419 166 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 166 S C 1.392 175.911 174.600 -0.135 0.000 1.016 166 S CA 1.554 59.676 58.200 -0.130 0.000 0.974 166 S CB -0.504 62.625 63.200 -0.119 0.000 0.786 166 S HN 0.553 nan 8.310 nan 0.000 0.492 167 D N 1.252 121.512 120.400 -0.234 0.000 2.178 167 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 167 D C 1.463 177.567 176.300 -0.325 0.000 0.974 167 D CA 0.792 54.610 54.000 -0.303 0.000 0.841 167 D CB -0.780 39.766 40.800 -0.424 0.000 0.953 167 D HN 0.489 nan 8.370 nan 0.000 0.478 168 F N 0.740 120.675 119.950 -0.024 0.000 2.259 168 F HA 0.146 4.672 4.527 -0.001 0.000 0.298 168 F C 2.528 178.308 175.800 -0.033 0.000 1.088 168 F CA 0.348 58.339 58.000 -0.014 0.000 1.358 168 F CB -0.541 38.460 39.000 0.002 0.000 1.040 168 F HN -0.096 nan 8.300 nan 0.000 0.505 169 L N -0.298 120.990 121.223 0.109 0.000 2.056 169 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 169 L C 2.286 179.182 176.870 0.043 0.000 1.078 169 L CA 1.448 56.333 54.840 0.076 0.000 0.749 169 L CB -0.575 41.533 42.059 0.082 0.000 0.901 169 L HN 0.115 nan 8.230 nan 0.000 0.433 170 E N -0.316 119.887 120.200 0.006 0.000 2.150 170 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 170 E C 2.020 178.621 176.600 0.002 0.000 0.985 170 E CA 1.321 57.718 56.400 -0.006 0.000 0.814 170 E CB 0.030 29.710 29.700 -0.035 0.000 0.752 170 E HN 0.470 nan 8.360 nan 0.000 0.466 171 S N -0.696 115.010 115.700 0.010 0.000 2.603 171 S HA 0.154 4.623 4.470 -0.000 0.000 0.220 171 S C 1.494 176.126 174.600 0.052 0.000 0.967 171 S CA 0.245 58.463 58.200 0.030 0.000 0.920 171 S CB 0.367 63.592 63.200 0.042 0.000 0.773 171 S HN 0.340 nan 8.310 nan 0.000 0.529 172 G N 0.913 109.744 108.800 0.051 0.000 2.160 172 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.251 172 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.251 172 G C 0.397 175.332 174.900 0.059 0.000 1.008 172 G CA 0.431 45.560 45.100 0.048 0.000 0.724 172 G HN 0.596 nan 8.290 nan 0.000 0.514 173 L N 0.049 121.318 121.223 0.077 0.000 2.072 173 L HA 0.387 4.727 4.340 -0.000 0.000 0.205 173 L C 1.572 178.438 176.870 -0.006 0.000 1.079 173 L CA 1.396 56.269 54.840 0.055 0.000 0.752 173 L CB 0.013 42.119 42.059 0.077 0.000 0.906 173 L HN 0.376 nan 8.230 nan 0.000 0.436 174 I N 0.195 120.750 120.570 -0.025 0.000 2.301 174 I HA 0.040 4.209 4.170 -0.000 0.000 0.292 174 I C 0.960 177.054 176.117 -0.039 0.000 1.046 174 I CA -0.216 61.038 61.300 -0.076 0.000 1.282 174 I CB 1.147 39.092 38.000 -0.090 0.000 1.409 174 I HN 0.148 nan 8.210 nan 0.000 0.484 175 I N 5.057 125.604 120.570 -0.037 0.000 2.277 175 I HA -0.111 4.059 4.170 -0.000 0.000 0.243 175 I C 0.548 176.646 176.117 -0.032 0.000 1.094 175 I CA 1.432 62.733 61.300 0.002 0.000 1.393 175 I CB 0.003 38.026 38.000 0.037 0.000 1.078 175 I HN 0.793 nan 8.210 nan 0.000 0.417 176 D N -1.624 118.712 120.400 -0.108 0.000 2.609 176 D HA 0.338 4.978 4.640 -0.000 0.000 0.239 176 D C -1.023 175.145 176.300 -0.221 0.000 1.229 176 D CA -0.529 53.389 54.000 -0.136 0.000 0.808 176 D CB 1.123 41.877 40.800 -0.076 0.000 1.448 176 D HN -0.249 nan 8.370 nan 0.000 0.433 177 I N 1.436 121.832 120.570 -0.289 0.000 2.330 177 I HA 0.200 4.369 4.170 -0.000 0.000 0.286 177 I C -0.120 175.839 176.117 -0.264 0.000 1.025 177 I CA -0.591 60.477 61.300 -0.385 0.000 1.197 177 I CB 0.808 38.378 38.000 -0.717 0.000 1.358 177 I HN 0.449 nan 8.210 nan 0.000 0.467 178 E N 5.531 125.600 120.200 -0.220 0.000 2.180 178 E HA 0.190 4.540 4.350 -0.000 0.000 0.283 178 E C -0.160 176.349 176.600 -0.151 0.000 1.061 178 E CA -0.299 56.007 56.400 -0.158 0.000 0.861 178 E CB 2.571 32.189 29.700 -0.135 0.000 1.056 178 E HN 0.411 nan 8.360 nan 0.000 0.407 179 V N 1.517 121.367 119.914 -0.107 0.000 2.370 179 V HA 0.535 4.655 4.120 -0.000 0.000 0.279 179 V C 0.433 176.500 176.094 -0.045 0.000 1.029 179 V CA -0.458 61.805 62.300 -0.062 0.000 0.870 179 V CB 1.035 32.854 31.823 -0.006 0.000 0.984 179 V HN 0.646 nan 8.190 nan 0.000 0.451 180 G N 4.938 113.720 108.800 -0.030 0.000 2.340 180 G HA2 0.375 4.334 3.960 -0.000 0.000 0.245 180 G HA3 0.375 4.334 3.960 -0.000 0.000 0.245 180 G C -0.007 174.912 174.900 0.031 0.000 1.294 180 G CA -0.242 44.859 45.100 0.002 0.000 0.896 180 G HN 0.822 nan 8.290 nan 0.000 0.522 181 L N 1.828 123.001 121.223 -0.083 0.000 3.086 181 L HA 0.459 4.799 4.340 -0.000 0.000 0.274 181 L C 1.146 177.829 176.870 -0.312 0.000 1.184 181 L CA 0.754 55.563 54.840 -0.051 0.000 1.002 181 L CB 0.098 42.142 42.059 -0.025 0.000 1.383 181 L HN 0.888 nan 8.230 nan 0.000 0.582 182 G N -1.627 106.661 108.800 -0.854 0.000 2.348 182 G HA2 0.329 4.289 3.960 -0.000 0.000 0.296 182 G HA3 0.329 4.289 3.960 -0.000 0.000 0.296 182 G C -3.096 171.273 174.900 -0.885 0.000 1.258 182 G CA -0.602 43.698 45.100 -1.333 0.000 0.868 182 G HN -0.272 nan 8.290 nan 0.000 0.488 183 P HA 0.361 nan 4.420 nan 0.000 0.264 183 P C 0.553 177.635 177.300 -0.364 0.000 1.193 183 P CA 1.790 64.744 63.100 -0.244 0.000 0.763 183 P CB 1.159 32.745 31.700 -0.191 0.000 0.810 184 A N 3.834 126.401 122.820 -0.423 0.000 2.826 184 A HA -0.088 4.232 4.320 -0.000 0.000 0.274 184 A C 1.598 178.744 177.584 -0.730 0.000 1.443 184 A CA 1.362 53.110 52.037 -0.482 0.000 0.833 184 A CB -2.431 16.464 19.000 -0.175 0.000 1.023 184 A HN 1.037 nan 8.150 nan 0.000 0.600 185 G N -2.086 106.053 108.800 -1.101 0.000 2.189 185 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.267 185 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.267 185 G C -0.108 174.628 174.900 -0.273 0.000 0.975 185 G CA 1.140 45.935 45.100 -0.508 0.000 0.644 185 G HN 1.266 nan 8.290 nan 0.000 0.537 186 E N -0.532 119.509 120.200 -0.266 0.000 2.266 186 E HA 0.525 4.875 4.350 -0.000 0.000 0.277 186 E C 0.031 176.542 176.600 -0.148 0.000 1.018 186 E CA -1.021 55.297 56.400 -0.137 0.000 0.840 186 E CB 1.619 31.276 29.700 -0.071 0.000 1.082 186 E HN 0.167 nan 8.360 nan 0.000 0.395 187 L N 4.978 126.179 121.223 -0.038 0.000 2.454 187 L HA 0.158 4.498 4.340 -0.000 0.000 0.284 187 L C -0.379 176.447 176.870 -0.073 0.000 1.139 187 L CA 0.804 55.622 54.840 -0.037 0.000 0.911 187 L CB -0.953 41.144 42.059 0.064 0.000 1.262 187 L HN 0.584 nan 8.230 nan 0.000 0.453 188 R N 2.199 122.521 120.500 -0.296 0.000 2.780 188 R HA 0.323 4.663 4.340 -0.000 0.000 0.280 188 R C -1.521 174.452 176.300 -0.546 0.000 1.016 188 R CA -1.045 54.785 56.100 -0.450 0.000 0.854 188 R CB 0.290 30.384 30.300 -0.344 0.000 1.293 188 R HN 0.148 nan 8.270 nan 0.000 0.483 189 Y N 0.626 120.645 120.300 -0.468 0.000 2.316 189 Y HA 0.344 4.894 4.550 -0.001 0.000 0.324 189 Y C -1.529 174.130 175.900 -0.401 0.000 1.267 189 Y CA -2.109 55.655 58.100 -0.560 0.000 1.311 189 Y CB 0.992 39.190 38.460 -0.438 0.000 1.267 189 Y HN 0.404 nan 8.280 nan 0.000 0.516 190 P HA 0.015 nan 4.420 nan 0.000 0.225 190 P C 0.140 177.376 177.300 -0.107 0.000 1.768 190 P CA 0.172 63.163 63.100 -0.182 0.000 0.943 190 P CB -0.230 31.438 31.700 -0.053 0.000 1.936 191 S N -0.167 115.499 115.700 -0.057 0.000 2.527 191 S HA -0.088 4.382 4.470 -0.000 0.000 0.222 191 S C 0.686 175.335 174.600 0.081 0.000 0.985 191 S CA -0.020 58.237 58.200 0.095 0.000 0.921 191 S CB -0.973 62.298 63.200 0.119 0.000 0.772 191 S HN 0.377 nan 8.310 nan 0.000 0.529 192 Y N 0.185 120.268 120.300 -0.362 0.000 2.495 192 Y HA 0.627 5.177 4.550 -0.000 0.000 0.362 192 Y C -3.195 172.333 175.900 -0.621 0.000 0.956 192 Y CA -3.906 53.648 58.100 -0.911 0.000 1.127 192 Y CB -0.070 37.478 38.460 -1.521 0.000 1.173 192 Y HN 0.005 nan 8.280 nan 0.000 0.639 193 P HA 0.115 nan 4.420 nan 0.000 0.280 193 P C 0.308 177.566 177.300 -0.070 0.000 1.300 193 P CA 0.001 62.963 63.100 -0.231 0.000 0.785 193 P CB 2.163 33.732 31.700 -0.218 0.000 0.874 194 Q N 3.433 123.274 119.800 0.068 0.000 2.152 194 Q HA -0.192 4.147 4.340 -0.000 0.000 0.206 194 Q C 1.975 178.009 176.000 0.056 0.000 0.985 194 Q CA 2.642 58.541 55.803 0.160 0.000 0.863 194 Q CB -0.580 28.243 28.738 0.142 0.000 0.904 194 Q HN 0.554 nan 8.270 nan 0.000 0.422 195 S N -0.810 114.893 115.700 0.006 0.000 2.474 195 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 195 S C 1.312 175.902 174.600 -0.017 0.000 0.997 195 S CA 0.905 59.100 58.200 -0.008 0.000 0.949 195 S CB -0.069 63.121 63.200 -0.017 0.000 0.766 195 S HN 0.441 nan 8.310 nan 0.000 0.517 196 Q N 0.345 120.111 119.800 -0.056 0.000 2.188 196 Q HA 0.380 4.719 4.340 -0.000 0.000 0.212 196 Q C 1.124 177.102 176.000 -0.036 0.000 0.846 196 Q CA 0.192 55.958 55.803 -0.061 0.000 0.989 196 Q CB 0.564 29.204 28.738 -0.163 0.000 1.114 196 Q HN 0.737 nan 8.270 nan 0.000 0.488 197 G N 0.781 109.582 108.800 0.002 0.000 2.234 197 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.235 197 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.235 197 G C -0.152 174.783 174.900 0.057 0.000 0.997 197 G CA -0.141 44.981 45.100 0.036 0.000 0.623 197 G HN 0.493 nan 8.290 nan 0.000 0.514 198 W N 2.425 123.645 121.300 -0.134 0.000 2.231 198 W HA 0.502 5.162 4.660 -0.001 0.000 0.341 198 W C 0.285 176.805 176.519 0.001 0.000 1.298 198 W CA 0.919 58.237 57.345 -0.046 0.000 1.266 198 W CB 0.375 29.775 29.460 -0.100 0.000 1.172 198 W HN 0.289 nan 8.180 nan 0.000 0.568 199 E N 5.373 124.935 120.200 -1.063 0.000 2.308 199 E HA 0.165 4.514 4.350 -0.000 0.000 0.275 199 E C -1.354 174.271 176.600 -1.626 0.000 0.890 199 E CA -1.222 54.535 56.400 -1.073 0.000 0.754 199 E CB 1.542 30.940 29.700 -0.504 0.000 1.207 199 E HN 0.318 nan 8.360 nan 0.000 0.426 200 F N 4.445 123.454 119.950 -1.569 0.000 2.602 200 F HA 0.149 4.676 4.527 -0.000 0.000 0.367 200 F C -1.765 173.640 175.800 -0.658 0.000 1.126 200 F CA -1.100 56.236 58.000 -1.108 0.000 1.321 200 F CB 0.723 39.256 39.000 -0.778 0.000 1.094 200 F HN 0.255 nan 8.300 nan 0.000 0.594 201 P HA 0.266 nan 4.420 nan 0.000 0.209 201 P C -1.079 175.987 177.300 -0.390 0.000 1.872 201 P CA -0.338 61.804 63.100 -1.597 0.000 1.020 201 P CB 0.385 31.019 31.700 -1.777 0.000 1.813 202 R N 0.965 121.381 120.500 -0.140 0.000 2.500 202 R HA 0.350 4.690 4.340 -0.000 0.000 0.277 202 R C 1.722 178.525 176.300 0.838 0.000 1.026 202 R CA -0.969 55.346 56.100 0.359 0.000 1.058 202 R CB 0.575 30.890 30.300 0.024 0.000 1.078 202 R HN 0.265 nan 8.270 nan 0.000 0.509 203 I N -1.268 119.618 120.570 0.528 0.000 2.700 203 I HA 0.043 4.213 4.170 -0.000 0.000 0.261 203 I C 0.870 177.124 176.117 0.228 0.000 1.219 203 I CA 0.994 62.449 61.300 0.257 0.000 1.463 203 I CB -0.369 37.466 38.000 -0.274 0.000 1.092 203 I HN 0.701 nan 8.210 nan 0.000 0.452 204 G N 1.184 110.247 108.800 0.438 0.000 2.828 204 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.463 204 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.463 204 G C -0.747 174.213 174.900 0.099 0.000 1.394 204 G CA -0.216 45.098 45.100 0.356 0.000 0.862 204 G HN 0.608 nan 8.290 nan 0.000 0.540 205 E N -1.080 119.162 120.200 0.070 0.000 2.312 205 E HA 0.573 4.922 4.350 -0.000 0.000 0.267 205 E C -0.594 175.962 176.600 -0.073 0.000 0.894 205 E CA -0.842 55.457 56.400 -0.168 0.000 0.773 205 E CB 1.394 30.857 29.700 -0.395 0.000 1.241 205 E HN 0.322 nan 8.360 nan 0.000 0.432 206 F N 1.396 121.341 119.950 -0.007 0.000 2.506 206 F HA 0.059 4.586 4.527 -0.001 0.000 0.351 206 F C 1.169 177.047 175.800 0.130 0.000 1.136 206 F CA 0.117 58.082 58.000 -0.058 0.000 1.298 206 F CB 0.540 39.373 39.000 -0.278 0.000 1.145 206 F HN 0.165 nan 8.300 nan 0.000 0.593 207 Q N 2.640 122.639 119.800 0.332 0.000 2.656 207 Q HA 0.215 4.554 4.340 -0.000 0.000 0.389 207 Q C -0.198 176.042 176.000 0.399 0.000 0.883 207 Q CA 0.018 56.034 55.803 0.355 0.000 1.056 207 Q CB 0.848 29.714 28.738 0.213 0.000 1.391 207 Q HN 0.824 nan 8.270 nan 0.000 0.399 208 C N -2.504 116.961 119.300 0.275 0.000 2.849 208 C HA 0.442 4.901 4.460 -0.000 0.000 0.271 208 C C 0.799 175.759 174.990 -0.051 0.000 1.519 208 C CA -0.596 58.546 59.018 0.206 0.000 1.783 208 C CB -1.494 26.405 27.740 0.265 0.000 2.869 208 C HN 0.379 nan 8.230 nan 0.000 0.527 209 Y N 2.352 122.795 120.300 0.238 0.000 2.457 209 Y HA 0.163 4.713 4.550 -0.001 0.000 0.263 209 Y C 1.103 177.114 175.900 0.186 0.000 1.164 209 Y CA -0.235 57.961 58.100 0.159 0.000 1.274 209 Y CB -0.306 38.211 38.460 0.095 0.000 1.097 209 Y HN 0.547 nan 8.280 nan 0.000 0.523 210 D N 0.130 120.740 120.400 0.349 0.000 2.368 210 D HA -0.026 4.614 4.640 -0.000 0.000 0.240 210 D C 1.242 177.665 176.300 0.205 0.000 1.169 210 D CA -0.366 53.809 54.000 0.292 0.000 0.906 210 D CB 0.775 41.782 40.800 0.345 0.000 1.187 210 D HN 0.275 nan 8.370 nan 0.000 0.435 211 K N 0.277 120.719 120.400 0.070 0.000 2.283 211 K HA -0.223 4.097 4.320 -0.000 0.000 0.202 211 K C 1.017 177.564 176.600 -0.088 0.000 1.048 211 K CA 0.952 57.200 56.287 -0.065 0.000 0.948 211 K CB -0.364 32.001 32.500 -0.225 0.000 0.742 211 K HN 0.552 nan 8.250 nan 0.000 0.458 212 Y N 1.419 121.800 120.300 0.136 0.000 2.206 212 Y HA 0.027 4.576 4.550 -0.001 0.000 0.292 212 Y C 2.200 178.228 175.900 0.213 0.000 1.123 212 Y CA 0.750 58.934 58.100 0.139 0.000 1.142 212 Y CB -0.203 38.320 38.460 0.104 0.000 1.006 212 Y HN -0.109 nan 8.280 nan 0.000 0.518 213 L N 0.113 121.594 121.223 0.429 0.000 2.109 213 L HA -0.183 4.156 4.340 -0.000 0.000 0.207 213 L C 2.473 179.611 176.870 0.447 0.000 1.086 213 L CA 1.390 56.540 54.840 0.518 0.000 0.760 213 L CB -0.387 42.001 42.059 0.548 0.000 0.910 213 L HN 0.180 nan 8.230 nan 0.000 0.437 214 K N 0.601 121.154 120.400 0.255 0.000 2.097 214 K HA -0.149 4.170 4.320 -0.000 0.000 0.205 214 K C 2.047 178.749 176.600 0.171 0.000 1.050 214 K CA 1.253 57.626 56.287 0.143 0.000 0.938 214 K CB -0.012 32.544 32.500 0.094 0.000 0.718 214 K HN 0.240 nan 8.250 nan 0.000 0.442 215 A N 0.820 123.738 122.820 0.164 0.000 2.014 215 A HA -0.152 4.167 4.320 -0.000 0.000 0.218 215 A C 1.683 179.372 177.584 0.174 0.000 1.163 215 A CA 1.808 53.925 52.037 0.133 0.000 0.652 215 A CB -0.445 18.615 19.000 0.100 0.000 0.808 215 A HN 0.544 nan 8.150 nan 0.000 0.449 216 D N -1.469 119.098 120.400 0.278 0.000 2.120 216 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 216 D C 1.603 178.088 176.300 0.309 0.000 0.972 216 D CA 1.145 55.357 54.000 0.354 0.000 0.837 216 D CB -0.222 40.899 40.800 0.534 0.000 0.989 216 D HN 0.321 nan 8.370 nan 0.000 0.469 217 F N 1.525 121.458 119.950 -0.027 0.000 2.095 217 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 217 F C 1.964 177.651 175.800 -0.188 0.000 1.104 217 F CA 1.428 59.104 58.000 -0.541 0.000 1.232 217 F CB -0.094 38.352 39.000 -0.922 0.000 0.987 217 F HN -0.160 nan 8.300 nan 0.000 0.475 218 K N 0.025 120.391 120.400 -0.057 0.000 2.209 218 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 218 K C 2.204 178.727 176.600 -0.128 0.000 1.048 218 K CA 1.005 57.217 56.287 -0.125 0.000 0.940 218 K CB -0.442 32.069 32.500 0.018 0.000 0.729 218 K HN 0.387 nan 8.250 nan 0.000 0.451 219 A N 1.280 124.074 122.820 -0.043 0.000 1.930 219 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 219 A C 2.326 179.892 177.584 -0.029 0.000 1.176 219 A CA 1.444 53.471 52.037 -0.016 0.000 0.632 219 A CB -0.363 18.667 19.000 0.049 0.000 0.819 219 A HN 0.289 nan 8.150 nan 0.000 0.445 220 A N 0.151 122.963 122.820 -0.013 0.000 1.873 220 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 220 A C 2.304 179.868 177.584 -0.035 0.000 1.186 220 A CA 2.146 54.230 52.037 0.078 0.000 0.616 220 A CB -1.235 17.900 19.000 0.224 0.000 0.823 220 A HN 1.090 nan 8.150 nan 0.000 0.442 221 V N -2.345 117.391 119.914 -0.296 0.000 2.515 221 V HA -0.022 4.098 4.120 -0.000 0.000 0.250 221 V C 2.517 178.381 176.094 -0.383 0.000 1.058 221 V CA 1.704 63.720 62.300 -0.474 0.000 1.064 221 V CB -1.512 30.025 31.823 -0.477 0.000 0.675 221 V HN 0.496 nan 8.190 nan 0.000 0.461 222 A N 0.819 123.481 122.820 -0.262 0.000 1.933 222 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 222 A C 2.437 179.909 177.584 -0.187 0.000 1.175 222 A CA 1.900 53.809 52.037 -0.214 0.000 0.628 222 A CB -0.546 18.371 19.000 -0.139 0.000 0.814 222 A HN 0.578 nan 8.150 nan 0.000 0.444 223 R N -0.739 119.685 120.500 -0.128 0.000 2.153 223 R HA 0.068 4.408 4.340 -0.000 0.000 0.218 223 R C 2.129 178.370 176.300 -0.098 0.000 1.072 223 R CA 0.870 56.922 56.100 -0.079 0.000 0.990 223 R CB -0.289 30.010 30.300 -0.002 0.000 0.889 223 R HN 0.479 nan 8.270 nan 0.000 0.452 224 A N 0.125 122.844 122.820 -0.168 0.000 2.206 224 A HA 0.165 4.485 4.320 -0.000 0.000 0.211 224 A C 1.417 178.864 177.584 -0.229 0.000 1.158 224 A CA 1.026 52.950 52.037 -0.189 0.000 0.761 224 A CB -0.011 18.723 19.000 -0.444 0.000 0.801 224 A HN 0.453 nan 8.150 nan 0.000 0.473 225 G N -2.012 106.596 108.800 -0.321 0.000 2.168 225 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.197 225 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.197 225 G C 0.020 174.458 174.900 -0.770 0.000 0.997 225 G CA 0.151 44.992 45.100 -0.432 0.000 0.658 225 G HN 0.635 nan 8.290 nan 0.000 0.513 226 H N 0.449 119.075 119.070 -0.740 0.000 2.386 226 H HA 0.214 4.769 4.556 -0.000 0.000 0.232 226 H C -1.759 173.127 175.328 -0.737 0.000 1.416 226 H CA -0.617 54.820 56.048 -1.019 0.000 1.285 226 H CB 1.575 29.974 29.762 -2.272 0.000 1.625 226 H HN 0.254 nan 8.280 nan 0.000 0.521 227 P HA -0.166 nan 4.420 nan 0.000 0.223 227 P C 1.231 178.442 177.300 -0.148 0.000 1.144 227 P CA 1.085 64.043 63.100 -0.237 0.000 0.783 227 P CB 0.426 32.014 31.700 -0.187 0.000 0.771 228 E N -1.684 118.428 120.200 -0.147 0.000 2.474 228 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 228 E C 0.225 176.906 176.600 0.135 0.000 1.041 228 E CA -0.078 56.309 56.400 -0.021 0.000 0.874 228 E CB -0.641 29.043 29.700 -0.028 0.000 0.914 228 E HN 0.146 nan 8.360 nan 0.000 0.498 229 W N 2.442 123.724 121.300 -0.030 0.000 2.210 229 W HA 0.236 4.896 4.660 -0.001 0.000 0.330 229 W C 0.759 177.332 176.519 0.089 0.000 1.334 229 W CA -0.507 56.840 57.345 0.003 0.000 1.227 229 W CB 0.406 29.837 29.460 -0.048 0.000 1.178 229 W HN -0.090 nan 8.180 nan 0.000 0.560 230 E N 1.720 122.114 120.200 0.324 0.000 2.249 230 E HA 0.366 4.715 4.350 -0.000 0.000 0.263 230 E C -0.090 176.505 176.600 -0.009 0.000 0.950 230 E CA -1.124 55.399 56.400 0.205 0.000 0.827 230 E CB 1.528 31.264 29.700 0.060 0.000 1.220 230 E HN -0.016 nan 8.360 nan 0.000 0.411 231 L N 1.635 122.677 121.223 -0.302 0.000 2.467 231 L HA 0.195 4.535 4.340 -0.000 0.000 0.270 231 L C -1.908 174.599 176.870 -0.605 0.000 1.205 231 L CA -1.473 52.885 54.840 -0.803 0.000 0.828 231 L CB -1.124 40.454 42.059 -0.803 0.000 1.101 231 L HN 0.173 nan 8.230 nan 0.000 0.479 232 P HA -0.066 nan 4.420 nan 0.000 0.259 232 P C -0.323 176.810 177.300 -0.278 0.000 1.155 232 P CA 0.543 63.263 63.100 -0.633 0.000 0.759 232 P CB 0.321 31.395 31.700 -1.044 0.000 0.753 233 D N 0.721 121.008 120.400 -0.187 0.000 2.469 233 D HA -0.017 4.623 4.640 -0.000 0.000 0.213 233 D C 0.239 176.485 176.300 -0.091 0.000 1.135 233 D CA 0.118 54.049 54.000 -0.116 0.000 0.834 233 D CB -0.164 40.587 40.800 -0.081 0.000 1.009 233 D HN 0.283 nan 8.370 nan 0.000 0.507 234 D N 0.094 120.445 120.400 -0.081 0.000 2.571 234 D HA 0.278 4.917 4.640 -0.000 0.000 0.239 234 D C 0.993 177.286 176.300 -0.012 0.000 1.267 234 D CA -0.368 53.613 54.000 -0.032 0.000 0.823 234 D CB 0.073 40.872 40.800 -0.002 0.000 1.056 234 D HN 0.156 nan 8.370 nan 0.000 0.494 235 A N 0.227 123.003 122.820 -0.073 0.000 2.275 235 A HA 0.607 4.927 4.320 -0.000 0.000 0.212 235 A C 1.455 179.058 177.584 0.032 0.000 1.201 235 A CA 0.576 52.581 52.037 -0.052 0.000 0.843 235 A CB -0.353 18.575 19.000 -0.120 0.000 0.873 235 A HN 0.616 nan 8.150 nan 0.000 0.492 236 G N -0.872 107.919 108.800 -0.016 0.000 2.527 236 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.227 236 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.227 236 G C -0.404 174.446 174.900 -0.083 0.000 1.291 236 G CA 0.133 45.219 45.100 -0.023 0.000 0.904 236 G HN 0.620 nan 8.290 nan 0.000 0.577 237 K N -1.557 118.798 120.400 -0.074 0.000 2.444 237 K HA 0.727 5.046 4.320 -0.000 0.000 0.252 237 K C 0.872 177.436 176.600 -0.060 0.000 0.993 237 K CA -0.739 55.467 56.287 -0.135 0.000 0.847 237 K CB 0.942 33.408 32.500 -0.056 0.000 1.340 237 K HN 0.423 nan 8.250 nan 0.000 0.446 238 Y N 0.504 120.881 120.300 0.129 0.000 2.096 238 Y HA -0.302 4.248 4.550 -0.000 0.000 0.276 238 Y C 0.977 177.048 175.900 0.285 0.000 1.209 238 Y CA 2.187 60.448 58.100 0.268 0.000 1.137 238 Y CB -0.463 38.215 38.460 0.362 0.000 0.956 238 Y HN 0.614 nan 8.280 nan 0.000 0.506 239 N N -0.124 118.754 118.700 0.296 0.000 2.313 239 N HA -0.000 4.740 4.740 -0.000 0.000 0.207 239 N C -0.617 174.941 175.510 0.079 0.000 1.141 239 N CA -0.215 52.911 53.050 0.127 0.000 0.830 239 N CB 0.079 38.591 38.487 0.041 0.000 1.008 239 N HN 0.218 nan 8.380 nan 0.000 0.481 240 D N 0.086 120.532 120.400 0.076 0.000 2.377 240 D HA 0.150 4.790 4.640 -0.000 0.000 0.245 240 D C 0.002 176.292 176.300 -0.016 0.000 1.196 240 D CA -0.095 53.917 54.000 0.019 0.000 0.962 240 D CB 1.358 42.159 40.800 0.002 0.000 1.127 240 D HN -0.254 nan 8.370 nan 0.000 0.471 241 V N 1.926 121.788 119.914 -0.087 0.000 2.732 241 V HA 0.195 4.314 4.120 -0.000 0.000 0.310 241 V C -1.337 174.534 176.094 -0.372 0.000 1.053 241 V CA -1.638 60.498 62.300 -0.273 0.000 0.957 241 V CB 2.143 33.925 31.823 -0.068 0.000 1.018 241 V HN 0.455 nan 8.190 nan 0.000 0.452 242 P HA -0.144 nan 4.420 nan 0.000 0.217 242 P C 1.075 178.314 177.300 -0.100 0.000 1.151 242 P CA 1.075 63.968 63.100 -0.346 0.000 0.828 242 P CB 0.215 31.595 31.700 -0.534 0.000 0.788 243 E N 0.118 120.241 120.200 -0.128 0.000 2.418 243 E HA -0.081 4.268 4.350 -0.000 0.000 0.197 243 E C 1.743 178.335 176.600 -0.014 0.000 1.026 243 E CA 0.783 57.161 56.400 -0.036 0.000 0.862 243 E CB -0.805 28.877 29.700 -0.030 0.000 0.799 243 E HN 0.148 nan 8.360 nan 0.000 0.518 244 S N 0.854 116.537 115.700 -0.029 0.000 2.603 244 S HA -0.020 4.450 4.470 -0.000 0.000 0.220 244 S C 0.641 175.248 174.600 0.011 0.000 0.967 244 S CA 0.518 58.712 58.200 -0.010 0.000 0.920 244 S CB -0.320 62.868 63.200 -0.020 0.000 0.773 244 S HN 0.517 nan 8.310 nan 0.000 0.529 245 T N -2.959 111.618 114.554 0.038 0.000 2.887 245 T HA 0.645 4.995 4.350 -0.000 0.000 0.288 245 T C 1.244 175.983 174.700 0.064 0.000 1.021 245 T CA -0.212 61.929 62.100 0.067 0.000 1.000 245 T CB 1.353 70.311 68.868 0.149 0.000 1.034 245 T HN -0.038 nan 8.240 nan 0.000 0.467 246 G N 0.409 109.234 108.800 0.043 0.000 2.443 246 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.219 246 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.219 246 G C 0.915 175.826 174.900 0.018 0.000 1.131 246 G CA 0.108 45.221 45.100 0.022 0.000 0.775 246 G HN 0.691 nan 8.290 nan 0.000 0.547 247 F N 0.019 119.872 119.950 -0.162 0.000 2.187 247 F HA 0.260 4.787 4.527 -0.000 0.000 0.295 247 F C 1.681 177.319 175.800 -0.270 0.000 1.091 247 F CA 0.777 58.587 58.000 -0.317 0.000 1.308 247 F CB 0.253 38.886 39.000 -0.612 0.000 1.030 247 F HN 0.098 nan 8.300 nan 0.000 0.487 248 F N 0.545 120.596 119.950 0.168 0.000 2.721 248 F HA 0.179 4.706 4.527 -0.001 0.000 0.301 248 F C 0.907 176.707 175.800 -0.001 0.000 1.096 248 F CA -0.482 57.507 58.000 -0.018 0.000 1.308 248 F CB -0.786 38.142 39.000 -0.120 0.000 1.086 248 F HN -0.233 nan 8.300 nan 0.000 0.587 249 K N -0.040 120.459 120.400 0.164 0.000 2.286 249 K HA 0.150 4.470 4.320 -0.000 0.000 0.256 249 K C 0.606 177.309 176.600 0.171 0.000 0.999 249 K CA -0.309 56.048 56.287 0.118 0.000 0.908 249 K CB 0.180 32.717 32.500 0.063 0.000 0.981 249 K HN -0.150 nan 8.250 nan 0.000 0.500 250 S N 1.894 117.667 115.700 0.122 0.000 2.642 250 S HA -0.094 4.375 4.470 -0.000 0.000 0.308 250 S C 0.038 174.663 174.600 0.043 0.000 1.255 250 S CA 0.207 58.466 58.200 0.099 0.000 1.057 250 S CB -0.633 62.599 63.200 0.054 0.000 0.785 250 S HN 0.855 nan 8.310 nan 0.000 0.500 251 N N 0.910 119.601 118.700 -0.015 0.000 2.678 251 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 251 N C 0.480 175.923 175.510 -0.111 0.000 1.119 251 N CA 0.891 53.884 53.050 -0.095 0.000 0.718 251 N CB -1.371 37.080 38.487 -0.061 0.000 1.060 251 N HN 0.715 nan 8.380 nan 0.000 0.552 252 G N -0.194 108.560 108.800 -0.077 0.000 2.489 252 G HA2 0.220 4.180 3.960 -0.000 0.000 0.271 252 G HA3 0.220 4.180 3.960 -0.000 0.000 0.271 252 G C 1.073 175.819 174.900 -0.256 0.000 1.427 252 G CA 0.566 45.607 45.100 -0.098 0.000 1.057 252 G HN 0.155 nan 8.290 nan 0.000 0.532 253 T N -0.228 114.121 114.554 -0.342 0.000 2.881 253 T HA -0.170 4.179 4.350 -0.000 0.000 0.270 253 T C 1.978 176.200 174.700 -0.797 0.000 1.068 253 T CA 1.920 63.712 62.100 -0.512 0.000 1.131 253 T CB -0.398 68.212 68.868 -0.430 0.000 0.871 253 T HN 0.600 nan 8.240 nan 0.000 0.479 254 Y N 0.382 119.969 120.300 -1.188 0.000 2.421 254 Y HA 0.164 4.714 4.550 -0.000 0.000 0.292 254 Y C 1.944 177.648 175.900 -0.327 0.000 1.136 254 Y CA -0.041 57.514 58.100 -0.909 0.000 1.255 254 Y CB -0.740 37.368 38.460 -0.585 0.000 0.991 254 Y HN 0.042 nan 8.280 nan 0.000 0.552 255 V N 0.082 119.515 119.914 -0.801 0.000 3.354 255 V HA -0.014 4.106 4.120 -0.000 0.000 0.258 255 V C 1.047 176.951 176.094 -0.317 0.000 1.159 255 V CA 0.891 62.817 62.300 -0.624 0.000 1.125 255 V CB -0.335 30.991 31.823 -0.828 0.000 0.774 255 V HN 0.444 nan 8.190 nan 0.000 0.464 256 T N 0.046 114.418 114.554 -0.303 0.000 2.795 256 T HA -0.047 4.303 4.350 -0.000 0.000 0.314 256 T C 1.305 175.905 174.700 -0.167 0.000 1.069 256 T CA 0.388 62.358 62.100 -0.217 0.000 1.071 256 T CB 0.884 69.596 68.868 -0.259 0.000 0.988 256 T HN 0.524 nan 8.240 nan 0.000 0.543 257 E N 0.833 120.957 120.200 -0.127 0.000 2.150 257 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 257 E C 2.063 178.515 176.600 -0.246 0.000 0.985 257 E CA 0.992 57.353 56.400 -0.066 0.000 0.814 257 E CB 0.013 29.730 29.700 0.028 0.000 0.752 257 E HN 0.537 nan 8.360 nan 0.000 0.466 258 K N -0.203 119.824 120.400 -0.623 0.000 2.057 258 K HA -0.083 4.236 4.320 -0.000 0.000 0.206 258 K C 2.052 178.357 176.600 -0.492 0.000 1.050 258 K CA 1.369 56.901 56.287 -1.258 0.000 0.935 258 K CB -0.241 31.418 32.500 -1.402 0.000 0.715 258 K HN 0.176 nan 8.250 nan 0.000 0.439 259 G N 1.174 109.802 108.800 -0.288 0.000 2.394 259 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 259 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 259 G C 1.313 176.237 174.900 0.041 0.000 1.165 259 G CA 0.397 45.435 45.100 -0.103 0.000 0.784 259 G HN 0.256 nan 8.290 nan 0.000 0.535 260 K N -0.622 119.790 120.400 0.020 0.000 2.148 260 K HA 0.030 4.350 4.320 -0.000 0.000 0.204 260 K C 2.077 178.783 176.600 0.177 0.000 1.050 260 K CA 0.667 57.036 56.287 0.136 0.000 0.942 260 K CB -0.220 32.375 32.500 0.158 0.000 0.724 260 K HN 0.329 nan 8.250 nan 0.000 0.446 261 F N 1.024 121.008 119.950 0.058 0.000 2.113 261 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 261 F C 2.037 177.985 175.800 0.248 0.000 1.103 261 F CA 1.159 59.253 58.000 0.156 0.000 1.248 261 F CB -0.371 38.719 39.000 0.151 0.000 0.999 261 F HN -0.053 nan 8.300 nan 0.000 0.475 262 F N 0.930 121.004 119.950 0.206 0.000 2.069 262 F HA -0.238 4.289 4.527 -0.001 0.000 0.298 262 F C 1.929 177.765 175.800 0.061 0.000 1.113 262 F CA 1.951 60.047 58.000 0.161 0.000 1.214 262 F CB -0.851 38.092 39.000 -0.095 0.000 0.978 262 F HN -0.024 nan 8.300 nan 0.000 0.474 263 L N -0.547 120.522 121.223 -0.256 0.000 2.083 263 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 263 L C 2.334 178.955 176.870 -0.415 0.000 1.083 263 L CA 1.732 56.234 54.840 -0.563 0.000 0.752 263 L CB -1.080 40.435 42.059 -0.906 0.000 0.899 263 L HN 0.189 nan 8.230 nan 0.000 0.433 264 T N -1.445 113.028 114.554 -0.134 0.000 2.777 264 T HA -0.227 4.122 4.350 -0.000 0.000 0.266 264 T C 1.328 175.999 174.700 -0.049 0.000 1.040 264 T CA 1.359 63.489 62.100 0.050 0.000 1.141 264 T CB -0.310 68.593 68.868 0.059 0.000 0.868 264 T HN 0.533 nan 8.240 nan 0.000 0.444 265 W N 0.828 121.940 121.300 -0.314 0.000 2.354 265 W HA -0.192 4.467 4.660 -0.001 0.000 0.315 265 W C 2.071 178.515 176.519 -0.124 0.000 1.206 265 W CA 0.876 58.095 57.345 -0.209 0.000 1.290 265 W CB -0.646 28.729 29.460 -0.140 0.000 1.152 265 W HN 0.250 nan 8.180 nan 0.000 0.489 266 Y N 1.963 122.023 120.300 -0.400 0.000 2.128 266 Y HA -0.279 4.271 4.550 -0.001 0.000 0.284 266 Y C 2.872 178.573 175.900 -0.332 0.000 1.154 266 Y CA 2.949 60.674 58.100 -0.625 0.000 1.149 266 Y CB -0.903 37.021 38.460 -0.893 0.000 0.976 266 Y HN 0.081 nan 8.280 nan 0.000 0.505 267 S N -1.131 114.456 115.700 -0.188 0.000 2.461 267 S HA -0.112 4.357 4.470 -0.000 0.000 0.228 267 S C 1.645 176.182 174.600 -0.105 0.000 1.005 267 S CA 1.017 59.155 58.200 -0.103 0.000 0.942 267 S CB -0.699 62.545 63.200 0.073 0.000 0.776 267 S HN 0.610 nan 8.310 nan 0.000 0.514 268 N N 1.100 119.717 118.700 -0.139 0.000 2.331 268 N HA 0.037 4.776 4.740 -0.000 0.000 0.180 268 N C 1.524 176.929 175.510 -0.176 0.000 1.019 268 N CA 0.580 53.556 53.050 -0.123 0.000 0.881 268 N CB -0.052 38.370 38.487 -0.109 0.000 0.972 268 N HN 0.190 nan 8.380 nan 0.000 0.435 269 K N 1.358 121.570 120.400 -0.312 0.000 2.103 269 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 269 K C 1.722 178.213 176.600 -0.181 0.000 1.048 269 K CA 0.872 56.981 56.287 -0.296 0.000 0.930 269 K CB -0.230 32.000 32.500 -0.450 0.000 0.716 269 K HN 0.168 nan 8.250 nan 0.000 0.444 270 L N -0.246 120.855 121.223 -0.203 0.000 2.109 270 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 270 L C 2.100 178.957 176.870 -0.021 0.000 1.086 270 L CA 0.729 55.472 54.840 -0.161 0.000 0.760 270 L CB -0.349 41.582 42.059 -0.213 0.000 0.910 270 L HN 0.134 nan 8.230 nan 0.000 0.437 271 L N -0.270 120.940 121.223 -0.021 0.000 2.056 271 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 271 L C 2.331 179.215 176.870 0.023 0.000 1.078 271 L CA 1.126 55.974 54.840 0.012 0.000 0.749 271 L CB -0.591 41.472 42.059 0.006 0.000 0.901 271 L HN 0.380 nan 8.230 nan 0.000 0.433 272 N N -0.851 117.856 118.700 0.012 0.000 2.270 272 N HA -0.196 4.544 4.740 -0.000 0.000 0.181 272 N C 1.789 177.327 175.510 0.046 0.000 1.016 272 N CA 1.055 54.119 53.050 0.023 0.000 0.870 272 N CB -0.281 38.212 38.487 0.009 0.000 0.979 272 N HN 0.407 nan 8.380 nan 0.000 0.431 273 H N 0.404 119.448 119.070 -0.045 0.000 2.290 273 H HA -0.054 4.502 4.556 -0.001 0.000 0.298 273 H C 2.048 177.361 175.328 -0.024 0.000 1.087 273 H CA 2.306 58.335 56.048 -0.032 0.000 1.291 273 H CB -0.589 29.142 29.762 -0.052 0.000 1.369 273 H HN 0.202 nan 8.280 nan 0.000 0.492 274 G N -0.613 108.184 108.800 -0.004 0.000 2.418 274 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.217 274 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.217 274 G C 1.561 176.409 174.900 -0.086 0.000 1.158 274 G CA 1.029 46.091 45.100 -0.064 0.000 0.771 274 G HN 0.527 nan 8.290 nan 0.000 0.545 275 D N -0.086 120.308 120.400 -0.010 0.000 2.144 275 D HA -0.047 4.593 4.640 -0.000 0.000 0.200 275 D C 2.620 178.926 176.300 0.009 0.000 0.978 275 D CA 0.913 54.950 54.000 0.061 0.000 0.833 275 D CB -0.112 40.751 40.800 0.104 0.000 0.961 275 D HN 0.405 nan 8.370 nan 0.000 0.470 276 Q N -0.465 119.319 119.800 -0.027 0.000 2.079 276 Q HA -0.030 4.310 4.340 -0.000 0.000 0.200 276 Q C 2.354 178.307 176.000 -0.077 0.000 0.974 276 Q CA 0.854 56.637 55.803 -0.033 0.000 0.840 276 Q CB 0.121 28.839 28.738 -0.033 0.000 0.898 276 Q HN 0.408 nan 8.270 nan 0.000 0.430 277 I N -0.023 120.462 120.570 -0.141 0.000 2.353 277 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 277 I C 1.799 177.836 176.117 -0.135 0.000 1.119 277 I CA 0.461 61.680 61.300 -0.134 0.000 1.417 277 I CB 0.022 37.897 38.000 -0.209 0.000 1.078 277 I HN 0.180 nan 8.210 nan 0.000 0.421 278 L N 0.397 121.481 121.223 -0.232 0.000 2.362 278 L HA -0.168 4.171 4.340 -0.000 0.000 0.219 278 L C 1.884 178.548 176.870 -0.343 0.000 1.134 278 L CA 1.651 56.270 54.840 -0.368 0.000 0.807 278 L CB -0.829 40.834 42.059 -0.660 0.000 0.927 278 L HN 0.180 nan 8.230 nan 0.000 0.447 279 D N -0.579 119.722 120.400 -0.165 0.000 2.117 279 D HA -0.158 4.481 4.640 -0.000 0.000 0.197 279 D C 1.958 178.272 176.300 0.022 0.000 0.987 279 D CA 0.855 54.870 54.000 0.026 0.000 0.829 279 D CB 0.334 41.173 40.800 0.064 0.000 0.961 279 D HN 0.290 nan 8.370 nan 0.000 0.460 280 E N 0.535 120.733 120.200 -0.003 0.000 2.072 280 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 280 E C 2.054 178.683 176.600 0.049 0.000 0.985 280 E CA 0.673 57.083 56.400 0.018 0.000 0.801 280 E CB -0.329 29.375 29.700 0.007 0.000 0.750 280 E HN 0.201 nan 8.360 nan 0.000 0.452 281 A N 1.794 124.653 122.820 0.065 0.000 1.930 281 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 281 A C 2.057 179.777 177.584 0.226 0.000 1.175 281 A CA 1.500 53.643 52.037 0.177 0.000 0.627 281 A CB -0.577 18.498 19.000 0.125 0.000 0.815 281 A HN 0.217 nan 8.150 nan 0.000 0.443 282 N N -0.186 118.592 118.700 0.129 0.000 2.216 282 N HA -0.128 4.611 4.740 -0.000 0.000 0.183 282 N C 1.624 177.208 175.510 0.123 0.000 1.017 282 N CA 1.375 54.518 53.050 0.155 0.000 0.861 282 N CB -0.111 38.472 38.487 0.160 0.000 0.986 282 N HN 0.528 nan 8.380 nan 0.000 0.428 283 K N 0.535 120.981 120.400 0.076 0.000 2.025 283 K HA -0.006 4.314 4.320 -0.000 0.000 0.207 283 K C 2.116 178.707 176.600 -0.014 0.000 1.049 283 K CA 1.283 57.591 56.287 0.035 0.000 0.933 283 K CB -0.143 32.368 32.500 0.018 0.000 0.714 283 K HN 0.150 nan 8.250 nan 0.000 0.438 284 A N 0.272 123.056 122.820 -0.061 0.000 1.972 284 A HA -0.093 4.226 4.320 -0.000 0.000 0.219 284 A C 1.298 178.600 177.584 -0.470 0.000 1.169 284 A CA 1.239 53.111 52.037 -0.274 0.000 0.635 284 A CB -0.292 18.475 19.000 -0.388 0.000 0.810 284 A HN 0.253 nan 8.150 nan 0.000 0.446 285 F N -0.743 119.229 119.950 0.037 0.000 2.668 285 F HA 0.363 4.889 4.527 -0.001 0.000 0.301 285 F C 0.435 176.252 175.800 0.027 0.000 1.106 285 F CA -0.620 57.401 58.000 0.035 0.000 1.289 285 F CB 0.208 39.231 39.000 0.039 0.000 1.006 285 F HN 0.007 nan 8.300 nan 0.000 0.535 286 L N 0.836 122.128 121.223 0.114 0.000 2.559 286 L HA 0.179 4.519 4.340 -0.000 0.000 0.274 286 L C 1.386 178.295 176.870 0.066 0.000 1.205 286 L CA 1.228 56.120 54.840 0.086 0.000 0.907 286 L CB 0.371 42.460 42.059 0.049 0.000 1.153 286 L HN 0.624 nan 8.230 nan 0.000 0.490 287 G N 2.567 111.404 108.800 0.061 0.000 2.253 287 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 287 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 287 G C 0.394 175.325 174.900 0.052 0.000 0.998 287 G CA 0.081 45.205 45.100 0.041 0.000 0.621 287 G HN 0.646 nan 8.290 nan 0.000 0.524 288 C N 1.236 120.592 119.300 0.093 0.000 2.604 288 C HA 0.516 4.976 4.460 -0.000 0.000 0.396 288 C C 1.083 176.117 174.990 0.073 0.000 1.282 288 C CA -0.291 58.789 59.018 0.103 0.000 2.292 288 C CB 0.891 28.751 27.740 0.201 0.000 2.633 288 C HN 0.462 nan 8.230 nan 0.000 0.620 289 K N 1.552 121.982 120.400 0.051 0.000 2.187 289 K HA 0.495 4.815 4.320 -0.000 0.000 0.242 289 K C -0.670 175.947 176.600 0.028 0.000 1.179 289 K CA 0.116 56.422 56.287 0.032 0.000 1.097 289 K CB 0.308 32.822 32.500 0.023 0.000 1.634 289 K HN 0.413 nan 8.250 nan 0.000 0.335 290 V N 1.832 121.757 119.914 0.019 0.000 3.012 290 V HA 0.299 4.419 4.120 -0.000 0.000 0.307 290 V C -1.337 174.740 176.094 -0.028 0.000 1.166 290 V CA -0.988 61.298 62.300 -0.024 0.000 0.974 290 V CB 2.619 34.399 31.823 -0.072 0.000 1.040 290 V HN 0.409 nan 8.190 nan 0.000 0.428 291 K N 2.871 123.249 120.400 -0.035 0.000 2.156 291 K HA 0.699 5.018 4.320 -0.000 0.000 0.254 291 K C -1.095 175.453 176.600 -0.087 0.000 0.950 291 K CA -0.435 55.828 56.287 -0.041 0.000 0.849 291 K CB 1.472 33.956 32.500 -0.026 0.000 1.100 291 K HN 0.402 nan 8.250 nan 0.000 0.434 292 L N 1.955 123.136 121.223 -0.069 0.000 2.375 292 L HA 0.688 5.028 4.340 -0.000 0.000 0.271 292 L C -0.452 176.370 176.870 -0.081 0.000 1.107 292 L CA 0.094 54.881 54.840 -0.089 0.000 0.806 292 L CB 1.262 43.296 42.059 -0.041 0.000 1.146 292 L HN 0.794 nan 8.230 nan 0.000 0.447 293 A N 3.862 126.627 122.820 -0.091 0.000 2.572 293 A HA 0.851 5.171 4.320 -0.000 0.000 0.295 293 A C -1.069 176.476 177.584 -0.066 0.000 1.072 293 A CA -0.482 51.514 52.037 -0.069 0.000 0.691 293 A CB 1.509 20.472 19.000 -0.061 0.000 1.291 293 A HN 0.672 nan 8.150 nan 0.000 0.404 294 I N -1.899 118.645 120.570 -0.042 0.000 2.934 294 I HA 0.700 4.870 4.170 -0.000 0.000 0.306 294 I C -0.796 175.314 176.117 -0.011 0.000 1.110 294 I CA -0.984 60.295 61.300 -0.035 0.000 1.019 294 I CB 2.360 40.345 38.000 -0.024 0.000 1.227 294 I HN 0.465 nan 8.210 nan 0.000 0.434 295 K N 3.296 123.688 120.400 -0.015 0.000 2.235 295 K HA 0.650 4.970 4.320 -0.000 0.000 0.266 295 K C -1.266 175.358 176.600 0.039 0.000 0.980 295 K CA -0.780 55.507 56.287 0.001 0.000 0.849 295 K CB 2.428 34.906 32.500 -0.036 0.000 1.098 295 K HN 0.428 nan 8.250 nan 0.000 0.445 296 V N 1.914 121.877 119.914 0.081 0.000 2.459 296 V HA 0.170 4.290 4.120 -0.000 0.000 0.295 296 V C 0.167 176.298 176.094 0.061 0.000 1.029 296 V CA -0.630 61.752 62.300 0.135 0.000 0.874 296 V CB 1.784 33.693 31.823 0.143 0.000 0.985 296 V HN 0.798 nan 8.190 nan 0.000 0.438 297 S N 3.135 118.918 115.700 0.139 0.000 2.580 297 S HA 0.480 4.949 4.470 -0.000 0.000 0.274 297 S C 0.479 174.984 174.600 -0.158 0.000 1.329 297 S CA -0.032 58.184 58.200 0.028 0.000 1.036 297 S CB 0.846 64.193 63.200 0.245 0.000 0.919 297 S HN 1.070 nan 8.310 nan 0.000 0.515 298 G N 4.033 112.597 108.800 -0.393 0.000 2.571 298 G HA2 0.532 4.492 3.960 -0.000 0.000 0.327 298 G HA3 0.532 4.492 3.960 -0.000 0.000 0.327 298 G C -0.530 174.303 174.900 -0.113 0.000 1.008 298 G CA -0.508 44.369 45.100 -0.372 0.000 1.136 298 G HN 0.738 nan 8.290 nan 0.000 0.444 299 I N 3.184 123.659 120.570 -0.160 0.000 2.361 299 I HA 0.164 4.334 4.170 -0.000 0.000 0.282 299 I C 1.019 176.906 176.117 -0.383 0.000 1.075 299 I CA -0.772 60.152 61.300 -0.627 0.000 1.205 299 I CB 0.947 38.578 38.000 -0.615 0.000 1.406 299 I HN 0.812 nan 8.210 nan 0.000 0.481 300 H N 2.803 121.806 119.070 -0.112 0.000 2.547 300 H HA 0.058 4.614 4.556 -0.001 0.000 0.272 300 H C 0.044 175.483 175.328 0.185 0.000 0.971 300 H CA -0.700 55.386 56.048 0.063 0.000 1.245 300 H CB -0.360 29.462 29.762 0.099 0.000 1.440 300 H HN 0.555 nan 8.280 nan 0.000 0.540 301 W N -0.056 121.143 121.300 -0.170 0.000 2.266 301 W HA 0.302 4.962 4.660 -0.001 0.000 0.317 301 W C -0.525 175.910 176.519 -0.140 0.000 1.310 301 W CA -1.298 55.899 57.345 -0.245 0.000 1.207 301 W CB 0.156 29.325 29.460 -0.485 0.000 1.199 301 W HN 0.335 nan 8.180 nan 0.000 0.544 302 W N 1.157 122.534 121.300 0.130 0.000 2.279 302 W HA -0.365 4.295 4.660 -0.001 0.000 0.275 302 W C 1.275 177.725 176.519 -0.115 0.000 1.083 302 W CA 0.497 57.829 57.345 -0.023 0.000 0.504 302 W CB -2.317 27.087 29.460 -0.095 0.000 2.112 302 W HN 0.706 nan 8.180 nan 0.000 1.261 303 Y N 1.332 121.636 120.300 0.007 0.000 2.352 303 Y HA -0.050 4.500 4.550 -0.000 0.000 0.292 303 Y C 2.064 177.810 175.900 -0.256 0.000 1.136 303 Y CA 2.055 60.100 58.100 -0.092 0.000 1.227 303 Y CB 0.014 38.534 38.460 0.100 0.000 0.991 303 Y HN -0.109 nan 8.280 nan 0.000 0.545 304 K N 0.619 121.018 120.400 -0.003 0.000 2.444 304 K HA 0.125 4.445 4.320 -0.000 0.000 0.193 304 K C 0.036 176.598 176.600 -0.064 0.000 1.024 304 K CA 0.454 56.725 56.287 -0.027 0.000 1.077 304 K CB 0.105 32.653 32.500 0.079 0.000 0.833 304 K HN 0.183 nan 8.250 nan 0.000 0.517 305 V N -2.190 117.668 119.914 -0.092 0.000 2.850 305 V HA 0.256 4.375 4.120 -0.000 0.000 0.315 305 V C 1.171 177.187 176.094 -0.130 0.000 1.064 305 V CA -0.825 61.450 62.300 -0.041 0.000 0.979 305 V CB 1.816 33.682 31.823 0.072 0.000 1.039 305 V HN 0.015 nan 8.190 nan 0.000 0.452 306 E N 1.673 121.873 120.200 0.000 0.000 2.209 306 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 306 E C 1.647 178.362 176.600 0.192 0.000 0.993 306 E CA 1.748 58.212 56.400 0.107 0.000 0.819 306 E CB -0.027 29.776 29.700 0.172 0.000 0.745 306 E HN 0.944 nan 8.360 nan 0.000 0.477 307 N N -0.095 118.623 118.700 0.030 0.000 2.463 307 N HA -0.133 4.607 4.740 -0.000 0.000 0.181 307 N C -0.206 175.300 175.510 -0.007 0.000 1.078 307 N CA 0.316 53.260 53.050 -0.177 0.000 0.902 307 N CB -0.147 38.092 38.487 -0.413 0.000 0.970 307 N HN 0.206 nan 8.380 nan 0.000 0.451 308 H N 0.259 119.284 119.070 -0.075 0.000 2.445 308 H HA -0.166 4.389 4.556 -0.001 0.000 0.322 308 H C 1.399 176.662 175.328 -0.109 0.000 1.053 308 H CA 0.366 56.401 56.048 -0.022 0.000 1.109 308 H CB -0.965 28.809 29.762 0.020 0.000 1.546 308 H HN 0.544 nan 8.280 nan 0.000 0.397 309 A N 0.885 123.550 122.820 -0.258 0.000 1.892 309 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 309 A C 2.518 179.828 177.584 -0.457 0.000 1.188 309 A CA 2.136 53.722 52.037 -0.750 0.000 0.631 309 A CB -0.633 17.608 19.000 -1.265 0.000 0.822 309 A HN 0.654 nan 8.150 nan 0.000 0.447 310 A N -0.576 122.136 122.820 -0.179 0.000 1.930 310 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 310 A C 1.915 179.394 177.584 -0.175 0.000 1.175 310 A CA 1.680 53.610 52.037 -0.179 0.000 0.627 310 A CB -0.508 18.248 19.000 -0.406 0.000 0.815 310 A HN 0.652 nan 8.150 nan 0.000 0.443 311 E N -0.045 120.125 120.200 -0.051 0.000 2.077 311 E HA -0.132 4.217 4.350 -0.000 0.000 0.193 311 E C 1.945 178.641 176.600 0.159 0.000 0.989 311 E CA 1.154 57.640 56.400 0.144 0.000 0.800 311 E CB -0.264 29.609 29.700 0.288 0.000 0.746 311 E HN 0.602 nan 8.360 nan 0.000 0.452 312 L N 0.791 122.103 121.223 0.150 0.000 2.046 312 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 312 L C 2.793 179.817 176.870 0.258 0.000 1.077 312 L CA 1.706 56.703 54.840 0.261 0.000 0.747 312 L CB -1.184 41.115 42.059 0.400 0.000 0.896 312 L HN 0.356 nan 8.230 nan 0.000 0.432 313 T N -2.647 111.894 114.554 -0.021 0.000 2.995 313 T HA -0.015 4.335 4.350 -0.000 0.000 0.269 313 T C 1.813 176.574 174.700 0.102 0.000 1.091 313 T CA 0.793 62.766 62.100 -0.212 0.000 1.128 313 T CB -0.175 68.418 68.868 -0.458 0.000 0.891 313 T HN 0.299 nan 8.240 nan 0.000 0.492 314 A N 0.975 123.825 122.820 0.049 0.000 2.167 314 A HA 0.544 4.864 4.320 -0.000 0.000 0.214 314 A C 2.099 179.574 177.584 -0.181 0.000 1.151 314 A CA 0.778 52.790 52.037 -0.043 0.000 0.735 314 A CB -1.005 17.925 19.000 -0.117 0.000 0.802 314 A HN 1.356 nan 8.150 nan 0.000 0.467 315 G N -2.875 105.913 108.800 -0.021 0.000 2.163 315 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.213 315 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.213 315 G C -0.283 174.567 174.900 -0.083 0.000 0.991 315 G CA 0.071 45.110 45.100 -0.103 0.000 0.653 315 G HN 0.353 nan 8.290 nan 0.000 0.518 316 Y N 0.548 120.908 120.300 0.098 0.000 2.504 316 Y HA 0.485 5.035 4.550 -0.001 0.000 0.339 316 Y C 0.321 176.230 175.900 0.016 0.000 0.974 316 Y CA -2.228 55.856 58.100 -0.027 0.000 1.232 316 Y CB 0.436 38.873 38.460 -0.038 0.000 1.108 316 Y HN 0.211 nan 8.280 nan 0.000 0.509 317 Y N 4.320 124.629 120.300 0.015 0.000 2.623 317 Y HA 0.174 4.724 4.550 -0.000 0.000 0.341 317 Y C -0.387 175.460 175.900 -0.088 0.000 1.292 317 Y CA -1.069 57.042 58.100 0.018 0.000 1.840 317 Y CB -0.573 37.910 38.460 0.037 0.000 1.865 317 Y HN 0.534 nan 8.280 nan 0.000 0.440 318 N N 4.485 123.195 118.700 0.018 0.000 2.476 318 N HA 0.448 5.188 4.740 -0.000 0.000 0.257 318 N C -1.477 173.809 175.510 -0.374 0.000 0.970 318 N CA -0.288 52.623 53.050 -0.231 0.000 0.938 318 N CB 0.714 39.035 38.487 -0.277 0.000 1.144 318 N HN 0.451 nan 8.380 nan 0.000 0.500 319 L N 1.806 122.832 121.223 -0.329 0.000 2.271 319 L HA 0.510 4.850 4.340 -0.000 0.000 0.265 319 L C 1.167 177.893 176.870 -0.240 0.000 1.013 319 L CA -1.094 53.578 54.840 -0.280 0.000 0.820 319 L CB 1.034 43.098 42.059 0.008 0.000 1.352 319 L HN 0.447 nan 8.230 nan 0.000 0.443 320 N N 0.841 119.522 118.700 -0.032 0.000 2.364 320 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 320 N C 0.409 175.908 175.510 -0.019 0.000 1.022 320 N CA 1.036 54.090 53.050 0.006 0.000 0.883 320 N CB -0.183 38.350 38.487 0.077 0.000 0.965 320 N HN 0.614 nan 8.380 nan 0.000 0.438 321 D N -1.183 119.199 120.400 -0.029 0.000 2.538 321 D HA 0.090 4.730 4.640 -0.000 0.000 0.231 321 D C 0.013 176.264 176.300 -0.082 0.000 1.229 321 D CA -0.195 53.782 54.000 -0.039 0.000 0.828 321 D CB 0.132 40.922 40.800 -0.017 0.000 1.035 321 D HN -0.022 nan 8.370 nan 0.000 0.495 322 R N 0.860 121.282 120.500 -0.129 0.000 2.569 322 R HA 0.155 4.494 4.340 -0.000 0.000 0.293 322 R C -1.677 174.503 176.300 -0.200 0.000 1.186 322 R CA -0.516 55.465 56.100 -0.199 0.000 0.956 322 R CB 0.990 31.082 30.300 -0.347 0.000 1.196 322 R HN -0.145 nan 8.270 nan 0.000 0.444 323 D N 2.782 123.097 120.400 -0.142 0.000 2.339 323 D HA 0.129 4.769 4.640 -0.000 0.000 0.256 323 D C 0.637 176.836 176.300 -0.169 0.000 1.214 323 D CA 0.352 54.285 54.000 -0.111 0.000 0.877 323 D CB 1.490 42.263 40.800 -0.044 0.000 1.111 323 D HN 0.789 nan 8.370 nan 0.000 0.478 324 G N 2.675 111.309 108.800 -0.277 0.000 3.189 324 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.225 324 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.225 324 G C 0.487 175.091 174.900 -0.494 0.000 1.159 324 G CA 0.056 44.944 45.100 -0.353 0.000 0.763 324 G HN 0.450 nan 8.290 nan 0.000 0.549 325 Y N -0.694 119.575 120.300 -0.052 0.000 2.559 325 Y HA 0.299 4.849 4.550 -0.001 0.000 0.279 325 Y C 2.544 178.396 175.900 -0.080 0.000 1.117 325 Y CA -0.128 57.914 58.100 -0.097 0.000 1.263 325 Y CB 0.124 38.483 38.460 -0.168 0.000 1.230 325 Y HN 0.088 nan 8.280 nan 0.000 0.528 326 R N 0.516 121.051 120.500 0.059 0.000 2.189 326 R HA -0.041 4.299 4.340 -0.000 0.000 0.218 326 R C -1.169 175.135 176.300 0.007 0.000 1.074 326 R CA 0.725 56.839 56.100 0.023 0.000 0.991 326 R CB -0.872 29.436 30.300 0.014 0.000 0.883 326 R HN 0.207 nan 8.270 nan 0.000 0.457 327 P HA -0.138 nan 4.420 nan 0.000 0.218 327 P C 0.845 178.152 177.300 0.013 0.000 1.148 327 P CA 1.259 64.357 63.100 -0.003 0.000 0.822 327 P CB 0.051 31.743 31.700 -0.013 0.000 0.784 328 I N -0.938 119.648 120.570 0.027 0.000 2.286 328 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 328 I C 2.319 178.453 176.117 0.029 0.000 1.104 328 I CA 1.296 62.623 61.300 0.044 0.000 1.397 328 I CB -0.844 37.203 38.000 0.079 0.000 1.072 328 I HN -0.095 nan 8.210 nan 0.000 0.417 329 A N 0.925 123.754 122.820 0.016 0.000 1.902 329 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 329 A C 2.364 179.948 177.584 0.000 0.000 1.181 329 A CA 1.803 53.839 52.037 -0.002 0.000 0.623 329 A CB -0.571 18.420 19.000 -0.016 0.000 0.818 329 A HN 0.280 nan 8.150 nan 0.000 0.443 330 R N -0.778 119.723 120.500 0.002 0.000 2.083 330 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 330 R C 2.250 178.539 176.300 -0.018 0.000 1.137 330 R CA 2.051 58.148 56.100 -0.007 0.000 0.951 330 R CB -0.429 29.868 30.300 -0.005 0.000 0.851 330 R HN 0.506 nan 8.270 nan 0.000 0.434 331 M N 0.246 119.845 119.600 -0.001 0.000 2.108 331 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 331 M C 1.802 178.121 176.300 0.032 0.000 1.066 331 M CA 1.766 57.071 55.300 0.008 0.000 1.107 331 M CB -0.354 32.270 32.600 0.041 0.000 1.356 331 M HN 0.334 nan 8.290 nan 0.000 0.406 332 L N 0.184 121.436 121.223 0.048 0.000 2.131 332 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 332 L C 2.673 179.539 176.870 -0.007 0.000 1.092 332 L CA 1.470 56.351 54.840 0.067 0.000 0.759 332 L CB -0.846 41.228 42.059 0.026 0.000 0.903 332 L HN 0.467 nan 8.230 nan 0.000 0.435 333 S N 0.955 116.624 115.700 -0.052 0.000 2.400 333 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 333 S C 2.032 176.492 174.600 -0.234 0.000 1.025 333 S CA 1.211 59.355 58.200 -0.093 0.000 0.993 333 S CB -0.473 62.695 63.200 -0.053 0.000 0.808 333 S HN 0.579 nan 8.310 nan 0.000 0.478 334 R N 0.288 120.591 120.500 -0.328 0.000 2.189 334 R HA 0.034 4.374 4.340 -0.000 0.000 0.218 334 R C 1.410 177.253 176.300 -0.762 0.000 1.074 334 R CA 1.389 57.182 56.100 -0.512 0.000 0.991 334 R CB -0.770 29.242 30.300 -0.481 0.000 0.883 334 R HN 0.528 nan 8.270 nan 0.000 0.457 335 H N 0.524 119.384 119.070 -0.351 0.000 2.551 335 H HA 0.087 4.643 4.556 -0.000 0.000 0.271 335 H C -0.321 174.891 175.328 -0.192 0.000 0.984 335 H CA 0.396 56.291 56.048 -0.255 0.000 1.164 335 H CB -0.058 29.647 29.762 -0.095 0.000 1.437 335 H HN 0.479 nan 8.280 nan 0.000 0.550 336 H N -0.850 118.248 119.070 0.046 0.000 2.713 336 H HA -0.085 4.470 4.556 -0.001 0.000 0.311 336 H C 0.311 175.624 175.328 -0.025 0.000 1.175 336 H CA 0.353 56.398 56.048 -0.005 0.000 1.143 336 H CB -1.725 28.029 29.762 -0.014 0.000 1.434 336 H HN 0.513 nan 8.280 nan 0.000 0.418 337 A N 0.275 123.119 122.820 0.040 0.000 2.281 337 A HA 0.736 5.056 4.320 -0.000 0.000 0.329 337 A C 0.404 177.955 177.584 -0.056 0.000 1.122 337 A CA -0.727 51.306 52.037 -0.006 0.000 0.850 337 A CB 1.077 20.082 19.000 0.008 0.000 1.207 337 A HN 0.316 nan 8.150 nan 0.000 0.495 338 I N 0.568 121.086 120.570 -0.086 0.000 2.440 338 I HA 0.253 4.423 4.170 -0.000 0.000 0.294 338 I C -0.302 175.788 176.117 -0.046 0.000 0.995 338 I CA -0.229 61.011 61.300 -0.101 0.000 1.306 338 I CB 1.411 39.337 38.000 -0.124 0.000 1.407 338 I HN 0.534 nan 8.210 nan 0.000 0.501 339 L N 7.050 128.250 121.223 -0.039 0.000 2.259 339 L HA 0.313 4.652 4.340 -0.000 0.000 0.288 339 L C 0.029 176.915 176.870 0.027 0.000 1.051 339 L CA -0.072 54.759 54.840 -0.014 0.000 0.824 339 L CB 0.179 42.208 42.059 -0.050 0.000 1.206 339 L HN 0.633 nan 8.230 nan 0.000 0.429 340 N N 4.418 123.149 118.700 0.051 0.000 2.437 340 N HA 0.128 4.868 4.740 -0.000 0.000 0.243 340 N C -1.184 174.404 175.510 0.130 0.000 1.041 340 N CA -0.604 52.496 53.050 0.084 0.000 0.940 340 N CB 0.532 39.046 38.487 0.045 0.000 1.133 340 N HN 0.389 nan 8.380 nan 0.000 0.506 341 F N 3.765 123.692 119.950 -0.038 0.000 2.404 341 F HA 0.175 4.702 4.527 -0.000 0.000 0.358 341 F C 1.324 177.108 175.800 -0.028 0.000 1.120 341 F CA -0.779 57.181 58.000 -0.067 0.000 1.144 341 F CB 0.947 39.880 39.000 -0.112 0.000 1.133 341 F HN 0.408 nan 8.300 nan 0.000 0.495 342 T N 1.608 115.916 114.554 -0.410 0.000 3.434 342 T HA 0.178 4.528 4.350 -0.000 0.000 0.249 342 T C 0.035 174.530 174.700 -0.342 0.000 1.050 342 T CA -0.250 61.680 62.100 -0.283 0.000 0.952 342 T CB -1.108 67.656 68.868 -0.173 0.000 1.046 342 T HN 0.525 nan 8.240 nan 0.000 0.590 343 C N 0.849 119.855 119.300 -0.490 0.000 2.716 343 C HA 0.701 5.160 4.460 -0.000 0.000 0.366 343 C C -0.221 174.702 174.990 -0.112 0.000 1.073 343 C CA -0.743 58.100 59.018 -0.291 0.000 1.260 343 C CB 0.599 28.141 27.740 -0.330 0.000 1.755 343 C HN 0.585 nan 8.230 nan 0.000 0.475 344 L N 4.369 125.583 121.223 -0.015 0.000 3.699 344 L HA 0.367 4.707 4.340 -0.000 0.000 0.344 344 L C 1.803 178.709 176.870 0.060 0.000 1.196 344 L CA 0.677 55.567 54.840 0.083 0.000 1.202 344 L CB 0.244 42.379 42.059 0.127 0.000 1.592 344 L HN 0.841 nan 8.230 nan 0.000 0.631 345 E N -0.736 119.458 120.200 -0.009 0.000 2.473 345 E HA 0.128 4.478 4.350 -0.000 0.000 0.204 345 E C 0.505 177.066 176.600 -0.065 0.000 0.994 345 E CA 0.084 56.462 56.400 -0.035 0.000 0.945 345 E CB 0.152 29.798 29.700 -0.090 0.000 0.990 345 E HN 0.319 nan 8.360 nan 0.000 0.493 346 M N 1.688 121.233 119.600 -0.092 0.000 2.250 346 M HA 0.318 4.798 4.480 -0.000 0.000 0.344 346 M C 0.385 176.620 176.300 -0.109 0.000 1.150 346 M CA 0.029 55.249 55.300 -0.135 0.000 1.147 346 M CB 1.123 33.587 32.600 -0.227 0.000 1.498 346 M HN -0.213 nan 8.290 nan 0.000 0.461 347 R N 0.975 121.412 120.500 -0.105 0.000 2.732 347 R HA 0.240 4.580 4.340 -0.000 0.000 0.278 347 R C -0.114 176.133 176.300 -0.089 0.000 0.976 347 R CA -0.934 55.121 56.100 -0.075 0.000 0.963 347 R CB 1.227 31.500 30.300 -0.046 0.000 1.150 347 R HN 0.632 nan 8.270 nan 0.000 0.478 348 D N 0.624 120.985 120.400 -0.065 0.000 2.104 348 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 348 D C 1.714 177.995 176.300 -0.032 0.000 0.994 348 D CA 2.063 56.035 54.000 -0.047 0.000 0.830 348 D CB -0.196 40.591 40.800 -0.021 0.000 0.959 348 D HN 0.540 nan 8.370 nan 0.000 0.452 349 S N 0.407 116.091 115.700 -0.026 0.000 2.440 349 S HA -0.180 4.290 4.470 -0.000 0.000 0.238 349 S C 1.675 176.259 174.600 -0.026 0.000 1.010 349 S CA 0.884 59.072 58.200 -0.019 0.000 0.972 349 S CB -0.421 62.770 63.200 -0.014 0.000 0.774 349 S HN 0.336 nan 8.310 nan 0.000 0.501 350 E N 0.728 120.902 120.200 -0.043 0.000 2.358 350 E HA 0.032 4.382 4.350 -0.000 0.000 0.195 350 E C 0.271 176.846 176.600 -0.042 0.000 1.010 350 E CA 0.333 56.702 56.400 -0.051 0.000 0.856 350 E CB 0.072 29.725 29.700 -0.078 0.000 0.795 350 E HN 0.536 nan 8.360 nan 0.000 0.504 351 Q N 1.654 121.438 119.800 -0.026 0.000 2.288 351 Q HA 0.162 4.502 4.340 -0.000 0.000 0.254 351 Q C -2.140 173.877 176.000 0.028 0.000 0.932 351 Q CA -2.055 53.763 55.803 0.024 0.000 0.902 351 Q CB 0.088 28.860 28.738 0.058 0.000 1.203 351 Q HN 0.075 nan 8.270 nan 0.000 0.415 352 P HA -0.027 nan 4.420 nan 0.000 0.261 352 P C 0.532 177.820 177.300 -0.021 0.000 1.183 352 P CA 0.287 63.392 63.100 0.009 0.000 0.761 352 P CB 0.814 32.523 31.700 0.015 0.000 0.785 353 S N 1.894 117.581 115.700 -0.022 0.000 2.400 353 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 353 S C 1.374 175.945 174.600 -0.048 0.000 1.025 353 S CA 1.613 59.799 58.200 -0.023 0.000 0.993 353 S CB -0.539 62.656 63.200 -0.007 0.000 0.808 353 S HN 0.666 nan 8.310 nan 0.000 0.478 354 D N 0.472 120.833 120.400 -0.065 0.000 2.371 354 D HA 0.047 4.687 4.640 -0.000 0.000 0.221 354 D C 1.477 177.626 176.300 -0.252 0.000 0.986 354 D CA 0.789 54.744 54.000 -0.074 0.000 0.899 354 D CB -0.094 40.681 40.800 -0.041 0.000 0.902 354 D HN 0.458 nan 8.370 nan 0.000 0.530 355 A N 0.884 123.483 122.820 -0.368 0.000 2.132 355 A HA -0.017 4.302 4.320 -0.000 0.000 0.213 355 A C 1.038 178.171 177.584 -0.751 0.000 1.154 355 A CA -0.005 51.580 52.037 -0.754 0.000 0.753 355 A CB -0.170 18.519 19.000 -0.519 0.000 0.826 355 A HN 0.041 nan 8.150 nan 0.000 0.469 356 K N 0.435 120.656 120.400 -0.298 0.000 3.148 356 K HA -0.138 4.182 4.320 -0.000 0.000 0.267 356 K C 0.021 176.609 176.600 -0.020 0.000 0.996 356 K CA 0.945 57.178 56.287 -0.089 0.000 0.737 356 K CB -2.077 30.455 32.500 0.053 0.000 1.308 356 K HN 0.552 nan 8.250 nan 0.000 0.470 357 S N -0.514 115.200 115.700 0.023 0.000 2.525 357 S HA 0.568 5.037 4.470 -0.000 0.000 0.278 357 S C 0.742 175.436 174.600 0.157 0.000 1.234 357 S CA 0.194 58.499 58.200 0.175 0.000 1.058 357 S CB 1.370 64.743 63.200 0.288 0.000 0.983 357 S HN 0.417 nan 8.310 nan 0.000 0.495 358 G N 5.211 114.127 108.800 0.194 0.000 5.001 358 G HA2 0.342 4.302 3.960 -0.000 0.000 0.304 358 G HA3 0.342 4.302 3.960 -0.000 0.000 0.304 358 G C -1.543 173.275 174.900 -0.137 0.000 1.400 358 G CA -1.052 44.091 45.100 0.073 0.000 1.029 358 G HN 0.604 nan 8.290 nan 0.000 0.584 359 P HA -0.248 nan 4.420 nan 0.000 0.215 359 P C 1.453 178.651 177.300 -0.171 0.000 1.157 359 P CA 1.296 64.294 63.100 -0.169 0.000 0.874 359 P CB 0.421 31.937 31.700 -0.307 0.000 0.790 360 Q N -0.494 119.214 119.800 -0.152 0.000 2.124 360 Q HA -0.150 4.189 4.340 -0.000 0.000 0.202 360 Q C 2.095 177.941 176.000 -0.257 0.000 0.977 360 Q CA 1.267 56.974 55.803 -0.160 0.000 0.850 360 Q CB -0.260 28.410 28.738 -0.114 0.000 0.901 360 Q HN 0.435 nan 8.270 nan 0.000 0.429 361 E N 0.469 120.518 120.200 -0.251 0.000 2.299 361 E HA -0.101 4.248 4.350 -0.000 0.000 0.193 361 E C 1.865 178.220 176.600 -0.409 0.000 0.998 361 E CA 0.297 56.542 56.400 -0.258 0.000 0.851 361 E CB -0.269 29.418 29.700 -0.021 0.000 0.795 361 E HN 0.213 nan 8.360 nan 0.000 0.492 362 L N 1.283 122.092 121.223 -0.689 0.000 2.017 362 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 362 L C 2.267 178.885 176.870 -0.419 0.000 1.073 362 L CA 1.210 55.631 54.840 -0.700 0.000 0.745 362 L CB -0.558 41.149 42.059 -0.586 0.000 0.894 362 L HN -0.086 nan 8.230 nan 0.000 0.432 363 V N -0.172 119.580 119.914 -0.271 0.000 2.287 363 V HA -0.372 3.748 4.120 -0.000 0.000 0.248 363 V C 2.607 178.495 176.094 -0.344 0.000 1.053 363 V CA 2.255 64.422 62.300 -0.222 0.000 1.027 363 V CB -0.643 31.182 31.823 0.002 0.000 0.646 363 V HN 0.593 nan 8.190 nan 0.000 0.447 364 Q N -0.828 118.658 119.800 -0.524 0.000 2.170 364 Q HA -0.276 4.064 4.340 -0.000 0.000 0.203 364 Q C 2.315 178.112 176.000 -0.338 0.000 0.976 364 Q CA 1.737 57.071 55.803 -0.781 0.000 0.858 364 Q CB -0.175 27.965 28.738 -0.995 0.000 0.907 364 Q HN 0.681 nan 8.270 nan 0.000 0.433 365 Q N 0.241 119.883 119.800 -0.264 0.000 2.049 365 Q HA -0.120 4.219 4.340 -0.000 0.000 0.198 365 Q C 2.107 177.977 176.000 -0.216 0.000 0.971 365 Q CA 1.163 56.883 55.803 -0.139 0.000 0.833 365 Q CB 0.256 28.982 28.738 -0.020 0.000 0.896 365 Q HN 0.250 nan 8.270 nan 0.000 0.434 366 V N 1.390 121.023 119.914 -0.468 0.000 2.307 366 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 366 V C 2.344 178.132 176.094 -0.510 0.000 1.045 366 V CA 1.420 63.331 62.300 -0.649 0.000 1.024 366 V CB -0.506 30.472 31.823 -1.409 0.000 0.651 366 V HN 0.379 nan 8.190 nan 0.000 0.449 367 L N -0.407 120.528 121.223 -0.478 0.000 2.109 367 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 367 L C 2.563 179.160 176.870 -0.455 0.000 1.086 367 L CA 1.360 55.828 54.840 -0.621 0.000 0.760 367 L CB -0.814 40.887 42.059 -0.596 0.000 0.910 367 L HN 0.284 nan 8.230 nan 0.000 0.437 368 S N 0.548 116.299 115.700 0.084 0.000 2.383 368 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 368 S C 2.096 176.868 174.600 0.287 0.000 1.026 368 S CA 1.156 59.654 58.200 0.496 0.000 0.981 368 S CB -0.492 62.981 63.200 0.454 0.000 0.818 368 S HN 0.598 nan 8.310 nan 0.000 0.472 369 G N 1.501 110.334 108.800 0.054 0.000 2.446 369 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.217 369 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.217 369 G C 1.449 176.362 174.900 0.022 0.000 1.168 369 G CA 0.987 46.103 45.100 0.027 0.000 0.771 369 G HN 0.554 nan 8.290 nan 0.000 0.551 370 G N 0.029 108.772 108.800 -0.095 0.000 2.453 370 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 370 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 370 G C 1.598 176.512 174.900 0.024 0.000 1.201 370 G CA 0.956 45.987 45.100 -0.114 0.000 0.784 370 G HN 0.393 nan 8.290 nan 0.000 0.545 371 W N 0.948 122.312 121.300 0.106 0.000 2.364 371 W HA -0.003 4.657 4.660 -0.000 0.000 0.281 371 W C 2.641 179.270 176.519 0.183 0.000 1.219 371 W CA 0.871 58.274 57.345 0.098 0.000 1.220 371 W CB -0.580 28.890 29.460 0.016 0.000 1.127 371 W HN 0.282 nan 8.180 nan 0.000 0.556 372 R N 0.902 121.683 120.500 0.470 0.000 2.090 372 R HA -0.111 4.229 4.340 -0.000 0.000 0.228 372 R C 1.628 178.040 176.300 0.187 0.000 1.110 372 R CA 1.460 57.761 56.100 0.335 0.000 0.973 372 R CB -0.249 30.190 30.300 0.233 0.000 0.869 372 R HN -0.191 nan 8.270 nan 0.000 0.440 373 E N 0.730 121.013 120.200 0.138 0.000 2.502 373 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 373 E C -0.360 176.289 176.600 0.083 0.000 1.062 373 E CA 0.415 56.865 56.400 0.083 0.000 0.867 373 E CB -0.075 29.653 29.700 0.046 0.000 0.888 373 E HN 0.326 nan 8.360 nan 0.000 0.510 374 D N 0.440 120.916 120.400 0.127 0.000 2.699 374 D HA -0.187 4.453 4.640 -0.000 0.000 0.239 374 D C -0.351 175.999 176.300 0.083 0.000 1.136 374 D CA 0.512 54.584 54.000 0.120 0.000 0.668 374 D CB -1.488 39.366 40.800 0.089 0.000 1.060 374 D HN 0.411 nan 8.370 nan 0.000 0.429 375 I N -3.394 117.221 120.570 0.076 0.000 3.133 375 I HA 0.657 4.827 4.170 -0.000 0.000 0.311 375 I C 0.252 176.389 176.117 0.032 0.000 1.072 375 I CA -1.358 59.955 61.300 0.021 0.000 1.015 375 I CB 1.496 39.486 38.000 -0.016 0.000 1.233 375 I HN -0.191 nan 8.210 nan 0.000 0.473 376 R N 1.514 121.979 120.500 -0.058 0.000 2.368 376 R HA 0.658 4.998 4.340 -0.000 0.000 0.302 376 R C -1.225 175.046 176.300 -0.049 0.000 1.002 376 R CA -0.717 55.345 56.100 -0.063 0.000 0.929 376 R CB 1.920 31.987 30.300 -0.388 0.000 1.073 376 R HN 0.467 nan 8.270 nan 0.000 0.464 377 V N 2.747 122.683 119.914 0.036 0.000 2.417 377 V HA 0.633 4.753 4.120 -0.000 0.000 0.291 377 V C -0.040 176.141 176.094 0.145 0.000 1.024 377 V CA -0.492 61.791 62.300 -0.029 0.000 0.861 377 V CB 1.375 32.996 31.823 -0.337 0.000 0.985 377 V HN 0.963 nan 8.190 nan 0.000 0.436 378 A N 3.614 126.525 122.820 0.150 0.000 2.389 378 A HA 1.080 5.399 4.320 -0.000 0.000 0.293 378 A C 0.077 177.773 177.584 0.187 0.000 1.186 378 A CA -0.184 51.989 52.037 0.227 0.000 0.828 378 A CB 2.029 21.180 19.000 0.252 0.000 1.369 378 A HN 1.283 nan 8.150 nan 0.000 0.446 379 G N -1.150 107.770 108.800 0.201 0.000 2.559 379 G HA2 0.591 4.551 3.960 -0.000 0.000 0.291 379 G HA3 0.591 4.551 3.960 -0.000 0.000 0.291 379 G C -1.739 173.252 174.900 0.153 0.000 1.424 379 G CA -0.574 44.633 45.100 0.179 0.000 0.786 379 G HN 0.726 nan 8.290 nan 0.000 0.485 380 E N -0.151 120.102 120.200 0.088 0.000 2.416 380 E HA 0.324 4.674 4.350 -0.000 0.000 0.273 380 E C -0.698 175.908 176.600 0.010 0.000 0.935 380 E CA -1.133 55.306 56.400 0.066 0.000 0.784 380 E CB 2.138 31.851 29.700 0.022 0.000 1.301 380 E HN 0.630 nan 8.360 nan 0.000 0.454 381 N N 0.298 118.987 118.700 -0.019 0.000 2.513 381 N HA 0.196 4.935 4.740 -0.000 0.000 0.274 381 N C 0.009 175.447 175.510 -0.120 0.000 1.189 381 N CA -0.110 52.889 53.050 -0.085 0.000 0.975 381 N CB 1.661 40.059 38.487 -0.148 0.000 1.157 381 N HN 0.513 nan 8.380 nan 0.000 0.465 382 A N 1.648 124.398 122.820 -0.118 0.000 1.943 382 A HA 0.236 4.556 4.320 -0.000 0.000 0.213 382 A C 0.900 178.420 177.584 -0.106 0.000 1.181 382 A CA 0.447 52.427 52.037 -0.094 0.000 0.653 382 A CB 0.031 18.995 19.000 -0.060 0.000 0.833 382 A HN 0.636 nan 8.150 nan 0.000 0.451 383 L N 0.221 121.354 121.223 -0.148 0.000 2.370 383 L HA 0.388 4.727 4.340 -0.000 0.000 0.266 383 L C -2.585 174.135 176.870 -0.249 0.000 1.002 383 L CA -2.579 52.163 54.840 -0.163 0.000 0.818 383 L CB 2.444 44.417 42.059 -0.143 0.000 1.325 383 L HN -0.031 nan 8.230 nan 0.000 0.418 384 P HA 0.098 nan 4.420 nan 0.000 0.263 384 P C -1.140 175.871 177.300 -0.483 0.000 1.195 384 P CA 0.007 62.862 63.100 -0.409 0.000 0.762 384 P CB 0.557 32.085 31.700 -0.287 0.000 0.799 385 R N 2.980 123.108 120.500 -0.620 0.000 2.673 385 R HA 0.307 4.647 4.340 -0.000 0.000 0.281 385 R C -0.330 175.558 176.300 -0.687 0.000 0.991 385 R CA -0.573 55.187 56.100 -0.566 0.000 0.896 385 R CB 1.575 31.625 30.300 -0.418 0.000 1.201 385 R HN 0.445 nan 8.270 nan 0.000 0.457 386 Y N -0.603 119.599 120.300 -0.162 0.000 2.527 386 Y HA 0.088 4.638 4.550 -0.001 0.000 0.247 386 Y C 0.582 176.376 175.900 -0.177 0.000 1.138 386 Y CA -0.646 57.403 58.100 -0.085 0.000 1.228 386 Y CB 0.748 39.237 38.460 0.049 0.000 1.252 386 Y HN 0.473 nan 8.280 nan 0.000 0.531 387 D N -0.134 120.142 120.400 -0.207 0.000 2.340 387 D HA 0.333 4.972 4.640 -0.000 0.000 0.251 387 D C 1.065 177.255 176.300 -0.183 0.000 1.080 387 D CA 0.036 53.967 54.000 -0.114 0.000 0.971 387 D CB 2.238 42.990 40.800 -0.080 0.000 1.137 387 D HN 0.054 nan 8.370 nan 0.000 0.475 388 A N 0.957 123.787 122.820 0.018 0.000 2.067 388 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 388 A C 2.100 179.706 177.584 0.037 0.000 1.158 388 A CA 2.024 54.125 52.037 0.106 0.000 0.661 388 A CB -0.948 18.114 19.000 0.103 0.000 0.801 388 A HN 0.775 nan 8.150 nan 0.000 0.452 389 T N -2.807 111.729 114.554 -0.031 0.000 2.942 389 T HA 0.217 4.566 4.350 -0.000 0.000 0.265 389 T C 1.948 176.613 174.700 -0.059 0.000 1.062 389 T CA 1.272 63.357 62.100 -0.026 0.000 1.139 389 T CB -0.429 68.421 68.868 -0.030 0.000 0.883 389 T HN 0.454 nan 8.240 nan 0.000 0.468 390 A N 1.105 123.832 122.820 -0.155 0.000 1.858 390 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 390 A C 2.184 179.687 177.584 -0.135 0.000 1.190 390 A CA 1.430 53.347 52.037 -0.200 0.000 0.617 390 A CB -1.342 17.438 19.000 -0.367 0.000 0.827 390 A HN 0.524 nan 8.150 nan 0.000 0.443 391 Y N 0.867 121.081 120.300 -0.143 0.000 2.256 391 Y HA -0.164 4.386 4.550 -0.001 0.000 0.288 391 Y C 2.317 178.199 175.900 -0.030 0.000 1.155 391 Y CA 1.170 59.133 58.100 -0.227 0.000 1.203 391 Y CB -0.581 37.731 38.460 -0.246 0.000 0.980 391 Y HN 0.342 nan 8.280 nan 0.000 0.530 392 N N -0.316 118.475 118.700 0.151 0.000 2.409 392 N HA -0.118 4.622 4.740 -0.000 0.000 0.179 392 N C 1.755 177.328 175.510 0.105 0.000 1.032 392 N CA 0.702 53.824 53.050 0.120 0.000 0.898 392 N CB -0.102 38.434 38.487 0.081 0.000 0.971 392 N HN 0.369 nan 8.380 nan 0.000 0.441 393 Q N 0.953 120.804 119.800 0.085 0.000 2.187 393 Q HA 0.180 4.520 4.340 -0.000 0.000 0.199 393 Q C 1.922 178.003 176.000 0.134 0.000 0.957 393 Q CA 0.711 56.571 55.803 0.094 0.000 0.857 393 Q CB -0.056 28.711 28.738 0.048 0.000 0.929 393 Q HN 0.321 nan 8.270 nan 0.000 0.453 394 I N -0.228 120.429 120.570 0.144 0.000 2.179 394 I HA -0.259 3.910 4.170 -0.000 0.000 0.242 394 I C 1.897 178.151 176.117 0.228 0.000 1.088 394 I CA 1.070 62.495 61.300 0.207 0.000 1.357 394 I CB -0.244 37.906 38.000 0.250 0.000 1.051 394 I HN 0.203 nan 8.210 nan 0.000 0.409 395 I N 0.095 120.798 120.570 0.222 0.000 2.361 395 I HA -0.274 3.896 4.170 -0.000 0.000 0.251 395 I C 2.450 178.608 176.117 0.068 0.000 1.133 395 I CA 0.959 62.337 61.300 0.130 0.000 1.413 395 I CB -0.217 37.845 38.000 0.104 0.000 1.073 395 I HN 0.251 nan 8.210 nan 0.000 0.424 396 L N 1.041 122.316 121.223 0.087 0.000 2.056 396 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 396 L C 2.097 178.979 176.870 0.020 0.000 1.078 396 L CA 1.905 56.775 54.840 0.050 0.000 0.749 396 L CB -0.852 41.282 42.059 0.124 0.000 0.901 396 L HN 0.187 nan 8.230 nan 0.000 0.433 397 N N 0.134 118.933 118.700 0.165 0.000 2.244 397 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 397 N C 1.802 177.407 175.510 0.159 0.000 1.016 397 N CA 1.319 54.516 53.050 0.245 0.000 0.866 397 N CB -0.327 38.359 38.487 0.333 0.000 0.980 397 N HN 0.523 nan 8.380 nan 0.000 0.430 398 A N 0.425 123.319 122.820 0.123 0.000 1.969 398 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 398 A C 0.950 178.554 177.584 0.032 0.000 1.169 398 A CA 1.241 53.345 52.037 0.111 0.000 0.635 398 A CB 0.087 19.129 19.000 0.070 0.000 0.810 398 A HN 0.137 nan 8.150 nan 0.000 0.445 399 K N -1.085 119.274 120.400 -0.068 0.000 2.895 399 K HA 0.251 4.571 4.320 -0.000 0.000 0.191 399 K C -2.550 173.877 176.600 -0.288 0.000 1.117 399 K CA -1.385 54.802 56.287 -0.167 0.000 0.988 399 K CB 1.695 34.117 32.500 -0.130 0.000 1.181 399 K HN 0.018 nan 8.250 nan 0.000 0.598 400 P HA -0.157 nan 4.420 nan 0.000 0.219 400 P C 0.389 177.408 177.300 -0.467 0.000 1.146 400 P CA 1.168 63.772 63.100 -0.827 0.000 0.808 400 P CB 0.302 31.061 31.700 -1.569 0.000 0.779 401 Q N -0.953 118.640 119.800 -0.344 0.000 2.201 401 Q HA 0.358 4.697 4.340 -0.000 0.000 0.236 401 Q C 0.665 176.577 176.000 -0.146 0.000 0.857 401 Q CA -0.178 55.507 55.803 -0.197 0.000 1.025 401 Q CB 0.148 28.771 28.738 -0.193 0.000 1.124 401 Q HN 0.105 nan 8.270 nan 0.000 0.473 402 G N -0.097 108.616 108.800 -0.146 0.000 2.752 402 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.234 402 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.234 402 G C -0.373 174.461 174.900 -0.111 0.000 1.367 402 G CA -0.644 44.392 45.100 -0.107 0.000 0.879 402 G HN 0.149 nan 8.290 nan 0.000 0.563 403 V N 1.161 121.023 119.914 -0.087 0.000 2.686 403 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 403 V C 0.673 176.723 176.094 -0.072 0.000 1.055 403 V CA 0.244 62.496 62.300 -0.079 0.000 1.050 403 V CB 1.563 33.346 31.823 -0.067 0.000 0.984 403 V HN 0.902 nan 8.190 nan 0.000 0.482 404 N N 3.324 121.982 118.700 -0.070 0.000 2.469 404 N HA 0.251 4.991 4.740 -0.000 0.000 0.253 404 N C 0.582 176.064 175.510 -0.048 0.000 0.970 404 N CA -0.249 52.764 53.050 -0.061 0.000 0.940 404 N CB 0.646 39.092 38.487 -0.068 0.000 1.128 404 N HN 0.578 nan 8.380 nan 0.000 0.503 405 N N 2.427 121.102 118.700 -0.041 0.000 2.309 405 N HA -0.094 4.645 4.740 -0.000 0.000 0.182 405 N C 0.227 175.718 175.510 -0.031 0.000 1.018 405 N CA 0.842 53.871 53.050 -0.034 0.000 0.876 405 N CB 0.065 38.535 38.487 -0.030 0.000 0.972 405 N HN 0.527 nan 8.380 nan 0.000 0.434 406 N N -0.794 117.887 118.700 -0.031 0.000 2.353 406 N HA 0.183 4.923 4.740 -0.000 0.000 0.185 406 N C 0.452 175.945 175.510 -0.029 0.000 1.098 406 N CA 0.277 53.310 53.050 -0.028 0.000 0.872 406 N CB 0.923 39.394 38.487 -0.027 0.000 0.970 406 N HN 0.247 nan 8.380 nan 0.000 0.467 407 G N -0.661 108.119 108.800 -0.033 0.000 2.393 407 G HA2 0.193 4.152 3.960 -0.000 0.000 0.264 407 G HA3 0.193 4.152 3.960 -0.000 0.000 0.264 407 G C -3.077 171.801 174.900 -0.035 0.000 1.221 407 G CA -0.709 44.372 45.100 -0.031 0.000 0.912 407 G HN -0.185 nan 8.290 nan 0.000 0.483 408 P HA 0.302 nan 4.420 nan 0.000 0.271 408 P C -2.549 174.707 177.300 -0.073 0.000 1.218 408 P CA -0.888 62.188 63.100 -0.040 0.000 0.780 408 P CB 0.731 32.414 31.700 -0.029 0.000 0.901 409 P HA 0.070 nan 4.420 nan 0.000 0.272 409 P C 0.813 177.992 177.300 -0.202 0.000 1.223 409 P CA -0.132 62.878 63.100 -0.149 0.000 0.784 409 P CB 1.077 32.677 31.700 -0.168 0.000 0.923 410 K N 0.593 120.850 120.400 -0.239 0.000 2.148 410 K HA -0.047 4.272 4.320 -0.000 0.000 0.204 410 K C 0.103 176.410 176.600 -0.488 0.000 1.050 410 K CA 1.035 57.145 56.287 -0.294 0.000 0.942 410 K CB -0.041 32.299 32.500 -0.268 0.000 0.724 410 K HN 0.274 nan 8.250 nan 0.000 0.446 411 L N 0.625 121.487 121.223 -0.601 0.000 2.381 411 L HA 0.323 4.662 4.340 -0.000 0.000 0.274 411 L C -1.037 175.404 176.870 -0.714 0.000 0.988 411 L CA -0.365 53.867 54.840 -1.013 0.000 0.824 411 L CB 1.668 42.945 42.059 -1.303 0.000 1.263 411 L HN 0.125 nan 8.230 nan 0.000 0.410 412 S N 2.664 118.031 115.700 -0.556 0.000 2.537 412 S HA 0.759 5.228 4.470 -0.000 0.000 0.270 412 S C -0.644 174.103 174.600 0.245 0.000 1.142 412 S CA -0.987 57.139 58.200 -0.123 0.000 0.870 412 S CB 1.389 64.559 63.200 -0.050 0.000 1.112 412 S HN 0.405 nan 8.310 nan 0.000 0.466 413 M N 1.830 121.645 119.600 0.359 0.000 2.247 413 M HA 0.377 4.857 4.480 -0.000 0.000 0.326 413 M C 0.326 176.874 176.300 0.413 0.000 1.134 413 M CA -0.443 55.124 55.300 0.445 0.000 1.136 413 M CB 0.398 33.205 32.600 0.345 0.000 1.454 413 M HN 0.871 nan 8.290 nan 0.000 0.467 414 F N 0.488 120.615 119.950 0.295 0.000 2.615 414 F HA 0.307 4.834 4.527 -0.001 0.000 0.297 414 F C 0.787 176.850 175.800 0.439 0.000 1.124 414 F CA 0.694 58.904 58.000 0.350 0.000 1.451 414 F CB 0.424 39.557 39.000 0.221 0.000 1.103 414 F HN 0.534 nan 8.300 nan 0.000 0.569 415 G N -0.465 108.569 108.800 0.391 0.000 2.387 415 G HA2 0.463 4.423 3.960 -0.000 0.000 0.294 415 G HA3 0.463 4.423 3.960 -0.000 0.000 0.294 415 G C -2.319 172.780 174.900 0.333 0.000 1.509 415 G CA -0.584 44.735 45.100 0.365 0.000 0.806 415 G HN -0.041 nan 8.290 nan 0.000 0.546 416 V N 0.408 120.521 119.914 0.332 0.000 2.623 416 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 416 V C -0.292 176.038 176.094 0.393 0.000 1.054 416 V CA -0.627 61.861 62.300 0.313 0.000 0.882 416 V CB 2.239 34.228 31.823 0.276 0.000 1.002 416 V HN 0.912 nan 8.190 nan 0.000 0.424 417 T N 4.745 119.511 114.554 0.353 0.000 2.756 417 T HA 0.398 4.748 4.350 -0.000 0.000 0.290 417 T C -0.725 174.182 174.700 0.344 0.000 0.985 417 T CA -0.147 62.172 62.100 0.364 0.000 0.955 417 T CB 0.517 69.531 68.868 0.242 0.000 0.930 417 T HN 0.514 nan 8.240 nan 0.000 0.451 418 Y N 3.918 124.400 120.300 0.303 0.000 2.335 418 Y HA 0.435 4.985 4.550 -0.001 0.000 0.331 418 Y C -0.046 175.965 175.900 0.185 0.000 1.094 418 Y CA -1.012 57.257 58.100 0.281 0.000 1.253 418 Y CB 0.528 39.267 38.460 0.465 0.000 1.203 418 Y HN 0.589 nan 8.280 nan 0.000 0.508 419 L N 8.314 129.275 121.223 -0.438 0.000 2.325 419 L HA 0.346 4.685 4.340 -0.000 0.000 0.284 419 L C -0.163 176.476 176.870 -0.386 0.000 1.089 419 L CA -0.147 54.508 54.840 -0.309 0.000 0.836 419 L CB -0.186 41.713 42.059 -0.267 0.000 1.184 419 L HN 0.884 nan 8.230 nan 0.000 0.444 420 R N 3.241 123.724 120.500 -0.027 0.000 1.171 420 R HA -0.189 4.150 4.340 -0.000 0.000 0.411 420 R C -0.900 175.534 176.300 0.224 0.000 1.357 420 R CA 0.265 56.432 56.100 0.111 0.000 1.374 420 R CB -0.135 30.205 30.300 0.065 0.000 3.782 420 R HN 0.659 nan 8.270 nan 0.000 0.482 421 L N 3.418 124.748 121.223 0.178 0.000 2.319 421 L HA 0.387 4.727 4.340 -0.000 0.000 0.280 421 L C 0.100 177.043 176.870 0.122 0.000 1.099 421 L CA 0.371 55.295 54.840 0.140 0.000 0.828 421 L CB 0.829 42.957 42.059 0.114 0.000 1.150 421 L HN 0.858 nan 8.230 nan 0.000 0.442 422 S N 1.658 117.428 115.700 0.116 0.000 2.625 422 S HA 0.336 4.805 4.470 -0.000 0.000 0.271 422 S C 0.037 174.661 174.600 0.041 0.000 1.161 422 S CA -0.943 57.313 58.200 0.093 0.000 0.820 422 S CB 1.510 64.795 63.200 0.142 0.000 1.137 422 S HN 0.602 nan 8.310 nan 0.000 0.470 423 D N 0.774 121.181 120.400 0.011 0.000 2.264 423 D HA -0.069 4.570 4.640 -0.000 0.000 0.208 423 D C 0.808 177.070 176.300 -0.063 0.000 0.966 423 D CA 0.961 54.941 54.000 -0.033 0.000 0.864 423 D CB -0.141 40.640 40.800 -0.032 0.000 0.933 423 D HN 0.561 nan 8.370 nan 0.000 0.499 424 D N 0.490 120.854 120.400 -0.061 0.000 2.144 424 D HA -0.109 4.530 4.640 -0.000 0.000 0.200 424 D C 2.216 178.353 176.300 -0.273 0.000 0.978 424 D CA 0.284 54.165 54.000 -0.198 0.000 0.833 424 D CB 0.092 40.756 40.800 -0.226 0.000 0.961 424 D HN 0.166 nan 8.370 nan 0.000 0.470 425 L N 0.724 121.928 121.223 -0.032 0.000 2.056 425 L HA -0.122 4.217 4.340 -0.000 0.000 0.207 425 L C 1.880 178.806 176.870 0.093 0.000 1.078 425 L CA 1.311 56.220 54.840 0.115 0.000 0.749 425 L CB -0.405 41.768 42.059 0.189 0.000 0.901 425 L HN -0.071 nan 8.230 nan 0.000 0.433 426 L N -0.195 121.004 121.223 -0.039 0.000 2.478 426 L HA 0.051 4.391 4.340 -0.000 0.000 0.223 426 L C 1.279 178.062 176.870 -0.145 0.000 1.140 426 L CA 0.714 55.419 54.840 -0.225 0.000 0.842 426 L CB -1.317 40.557 42.059 -0.308 0.000 0.953 426 L HN 0.460 nan 8.230 nan 0.000 0.452 427 Q N 0.852 120.604 119.800 -0.081 0.000 2.369 427 Q HA -0.160 4.179 4.340 -0.000 0.000 0.295 427 Q C 1.400 177.405 176.000 0.008 0.000 1.075 427 Q CA 0.279 56.045 55.803 -0.062 0.000 0.941 427 Q CB 0.710 29.392 28.738 -0.094 0.000 1.260 427 Q HN 0.113 nan 8.270 nan 0.000 0.417 428 K N 2.384 122.791 120.400 0.010 0.000 2.063 428 K HA -0.157 4.162 4.320 -0.000 0.000 0.208 428 K C 1.619 178.276 176.600 0.095 0.000 1.048 428 K CA 1.985 58.307 56.287 0.059 0.000 0.928 428 K CB -0.172 32.345 32.500 0.030 0.000 0.713 428 K HN 0.572 nan 8.250 nan 0.000 0.442 429 S N 0.614 116.349 115.700 0.059 0.000 2.425 429 S HA -0.003 4.466 4.470 -0.000 0.000 0.225 429 S C 1.540 176.197 174.600 0.095 0.000 1.024 429 S CA 0.449 58.688 58.200 0.065 0.000 0.951 429 S CB -0.080 63.143 63.200 0.037 0.000 0.796 429 S HN 0.360 nan 8.310 nan 0.000 0.498 430 N N 0.868 119.620 118.700 0.087 0.000 2.106 430 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 430 N C 1.302 176.954 175.510 0.236 0.000 1.029 430 N CA 0.958 54.089 53.050 0.135 0.000 0.848 430 N CB -0.595 37.888 38.487 -0.007 0.000 1.007 430 N HN 0.382 nan 8.380 nan 0.000 0.423 431 F N 2.027 122.009 119.950 0.053 0.000 2.234 431 F HA -0.025 4.502 4.527 0.000 0.000 0.299 431 F C 1.765 177.628 175.800 0.106 0.000 1.087 431 F CA 0.879 58.924 58.000 0.074 0.000 1.340 431 F CB -0.179 38.832 39.000 0.018 0.000 1.031 431 F HN -0.014 nan 8.300 nan 0.000 0.500 432 N N 0.468 119.247 118.700 0.132 0.000 2.309 432 N HA -0.109 4.630 4.740 -0.000 0.000 0.182 432 N C 1.868 177.370 175.510 -0.013 0.000 1.018 432 N CA 1.456 54.523 53.050 0.028 0.000 0.876 432 N CB -0.277 38.245 38.487 0.057 0.000 0.972 432 N HN 0.351 nan 8.380 nan 0.000 0.434 433 I N -0.999 119.606 120.570 0.058 0.000 2.480 433 I HA -0.124 4.045 4.170 -0.000 0.000 0.251 433 I C 1.832 177.921 176.117 -0.046 0.000 1.124 433 I CA 0.391 61.732 61.300 0.069 0.000 1.444 433 I CB -0.227 37.904 38.000 0.218 0.000 1.098 433 I HN -0.059 nan 8.210 nan 0.000 0.428 434 F N 2.505 122.321 119.950 -0.224 0.000 2.171 434 F HA -0.206 4.321 4.527 0.000 0.000 0.300 434 F C 2.375 177.893 175.800 -0.470 0.000 1.090 434 F CA 1.710 59.439 58.000 -0.451 0.000 1.293 434 F CB -0.200 38.569 39.000 -0.385 0.000 1.013 434 F HN -0.158 nan 8.300 nan 0.000 0.486 435 K N 0.157 120.323 120.400 -0.391 0.000 2.103 435 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 435 K C 2.007 178.362 176.600 -0.408 0.000 1.048 435 K CA 1.810 57.833 56.287 -0.440 0.000 0.930 435 K CB -0.160 32.145 32.500 -0.324 0.000 0.716 435 K HN 0.294 nan 8.250 nan 0.000 0.444 436 K N -0.132 120.085 120.400 -0.305 0.000 2.167 436 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 436 K C 1.951 178.357 176.600 -0.323 0.000 1.052 436 K CA 0.906 57.041 56.287 -0.253 0.000 0.956 436 K CB -0.138 32.278 32.500 -0.141 0.000 0.735 436 K HN 0.091 nan 8.250 nan 0.000 0.451 437 F N 1.795 121.383 119.950 -0.604 0.000 2.134 437 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 437 F C 1.752 177.106 175.800 -0.743 0.000 1.097 437 F CA 1.087 58.669 58.000 -0.698 0.000 1.264 437 F CB -0.457 37.858 39.000 -1.141 0.000 1.001 437 F HN -0.304 nan 8.300 nan 0.000 0.479 438 V N 0.816 120.044 119.914 -1.144 0.000 2.343 438 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 438 V C 2.461 177.920 176.094 -1.058 0.000 1.051 438 V CA 1.783 63.316 62.300 -1.279 0.000 1.036 438 V CB -0.971 30.234 31.823 -1.030 0.000 0.654 438 V HN 0.495 nan 8.190 nan 0.000 0.451 439 L N 0.239 121.067 121.223 -0.658 0.000 2.012 439 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 439 L C 2.428 179.059 176.870 -0.399 0.000 1.073 439 L CA 2.009 56.590 54.840 -0.432 0.000 0.748 439 L CB -0.692 41.200 42.059 -0.278 0.000 0.891 439 L HN 0.138 nan 8.230 nan 0.000 0.431 440 K N -0.966 119.199 120.400 -0.392 0.000 2.148 440 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 440 K C 2.030 178.415 176.600 -0.359 0.000 1.050 440 K CA 1.069 57.179 56.287 -0.295 0.000 0.942 440 K CB -0.462 31.916 32.500 -0.204 0.000 0.724 440 K HN 0.344 nan 8.250 nan 0.000 0.446 441 M N 0.100 119.355 119.600 -0.575 0.000 2.159 441 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 441 M C 1.534 177.519 176.300 -0.524 0.000 1.063 441 M CA 1.575 56.523 55.300 -0.586 0.000 1.110 441 M CB -1.008 31.062 32.600 -0.885 0.000 1.374 441 M HN 0.292 nan 8.290 nan 0.000 0.411 442 H N -0.240 118.396 119.070 -0.722 0.000 2.547 442 H HA 0.271 4.827 4.556 -0.001 0.000 0.266 442 H C 0.857 175.910 175.328 -0.459 0.000 0.988 442 H CA 0.087 55.590 56.048 -0.908 0.000 1.147 442 H CB 0.136 29.384 29.762 -0.856 0.000 1.365 442 H HN 0.485 nan 8.280 nan 0.000 0.589 443 A N 1.531 124.212 122.820 -0.231 0.000 2.869 443 A HA -0.267 4.053 4.320 -0.000 0.000 0.280 443 A C 0.447 177.968 177.584 -0.106 0.000 1.458 443 A CA 0.777 52.727 52.037 -0.145 0.000 0.776 443 A CB -1.978 16.960 19.000 -0.103 0.000 1.028 443 A HN 0.704 nan 8.150 nan 0.000 0.547 444 D N -2.846 117.482 120.400 -0.121 0.000 3.079 444 D HA -0.157 4.482 4.640 -0.000 0.000 0.214 444 D C 0.138 176.407 176.300 -0.051 0.000 1.145 444 D CA 2.135 56.082 54.000 -0.088 0.000 0.958 444 D CB -0.756 40.001 40.800 -0.072 0.000 1.117 444 D HN 0.851 nan 8.370 nan 0.000 0.416 445 Q N 0.994 120.775 119.800 -0.031 0.000 2.230 445 Q HA 0.334 4.674 4.340 -0.000 0.000 0.248 445 Q C 0.037 176.058 176.000 0.035 0.000 0.915 445 Q CA -0.364 55.444 55.803 0.008 0.000 0.900 445 Q CB 0.812 29.579 28.738 0.049 0.000 1.229 445 Q HN 0.041 nan 8.270 nan 0.000 0.439 446 D N 0.647 121.069 120.400 0.036 0.000 2.390 446 D HA -0.092 4.548 4.640 -0.000 0.000 0.236 446 D C -0.211 176.153 176.300 0.106 0.000 1.189 446 D CA 0.055 54.100 54.000 0.075 0.000 0.887 446 D CB 0.202 41.035 40.800 0.056 0.000 1.198 446 D HN 0.442 nan 8.370 nan 0.000 0.444 447 Y N 0.315 120.641 120.300 0.044 0.000 2.805 447 Y HA 0.013 4.563 4.550 -0.000 0.000 0.337 447 Y C -0.308 175.575 175.900 -0.029 0.000 1.252 447 Y CA -0.264 57.837 58.100 0.002 0.000 1.515 447 Y CB 0.454 38.941 38.460 0.046 0.000 1.305 447 Y HN 0.261 nan 8.280 nan 0.000 0.600 448 C N 7.631 126.352 119.300 -0.966 0.000 2.356 448 C HA 0.657 5.117 4.460 -0.000 0.000 0.324 448 C C 1.218 175.617 174.990 -0.986 0.000 1.167 448 C CA -0.185 58.350 59.018 -0.806 0.000 1.420 448 C CB -0.822 26.517 27.740 -0.669 0.000 2.036 448 C HN 1.085 nan 8.230 nan 0.000 0.435 449 A N 4.263 126.586 122.820 -0.829 0.000 2.019 449 A HA -0.034 4.285 4.320 -0.000 0.000 0.219 449 A C 1.079 178.534 177.584 -0.215 0.000 1.164 449 A CA 1.333 53.125 52.037 -0.408 0.000 0.644 449 A CB -0.245 18.706 19.000 -0.081 0.000 0.805 449 A HN 0.801 nan 8.150 nan 0.000 0.449 450 N N -0.415 118.134 118.700 -0.250 0.000 2.485 450 N HA 0.329 5.068 4.740 -0.000 0.000 0.243 450 N C -2.368 172.897 175.510 -0.407 0.000 0.987 450 N CA -2.370 50.538 53.050 -0.236 0.000 0.940 450 N CB 1.391 39.770 38.487 -0.180 0.000 1.122 450 N HN -0.119 nan 8.380 nan 0.000 0.509 451 P HA -0.146 nan 4.420 nan 0.000 0.219 451 P C 1.099 177.875 177.300 -0.873 0.000 1.146 451 P CA 1.018 63.523 63.100 -0.991 0.000 0.808 451 P CB 0.370 31.773 31.700 -0.496 0.000 0.779 452 Q N 0.254 119.793 119.800 -0.436 0.000 2.170 452 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 452 Q C 1.776 177.621 176.000 -0.258 0.000 0.976 452 Q CA 1.394 57.034 55.803 -0.272 0.000 0.858 452 Q CB -0.204 28.430 28.738 -0.173 0.000 0.907 452 Q HN 0.206 nan 8.270 nan 0.000 0.433 453 K N 0.022 120.246 120.400 -0.294 0.000 2.147 453 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 453 K C 0.865 177.389 176.600 -0.127 0.000 1.049 453 K CA 1.416 57.588 56.287 -0.191 0.000 0.936 453 K CB -0.087 32.306 32.500 -0.179 0.000 0.722 453 K HN 0.456 nan 8.250 nan 0.000 0.446 454 Y N -0.640 119.522 120.300 -0.230 0.000 2.801 454 Y HA 0.359 4.909 4.550 -0.001 0.000 0.318 454 Y C -0.353 175.526 175.900 -0.034 0.000 1.073 454 Y CA -1.039 56.950 58.100 -0.186 0.000 1.360 454 Y CB -1.042 37.187 38.460 -0.385 0.000 1.220 454 Y HN 0.061 nan 8.280 nan 0.000 0.536 455 N N 0.741 119.413 118.700 -0.045 0.000 2.735 455 N HA -0.299 4.441 4.740 -0.000 0.000 0.248 455 N C -0.563 174.987 175.510 0.067 0.000 1.083 455 N CA 0.653 53.711 53.050 0.013 0.000 0.703 455 N CB -0.938 37.583 38.487 0.057 0.000 1.005 455 N HN 0.706 nan 8.380 nan 0.000 0.550 456 H N -0.754 118.194 119.070 -0.203 0.000 2.472 456 H HA 0.481 5.037 4.556 -0.001 0.000 0.287 456 H C 0.326 175.577 175.328 -0.128 0.000 1.112 456 H CA 0.523 56.482 56.048 -0.148 0.000 1.021 456 H CB 0.397 29.962 29.762 -0.327 0.000 1.635 456 H HN 0.423 nan 8.280 nan 0.000 0.559 457 A N 0.866 123.661 122.820 -0.041 0.000 2.462 457 A HA 0.319 4.639 4.320 -0.000 0.000 0.243 457 A C 0.024 177.615 177.584 0.011 0.000 1.076 457 A CA -0.074 51.938 52.037 -0.042 0.000 0.773 457 A CB 0.038 19.004 19.000 -0.056 0.000 1.010 457 A HN 0.433 nan 8.150 nan 0.000 0.493 458 I N 2.082 122.662 120.570 0.016 0.000 2.354 458 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 458 I C 0.214 176.335 176.117 0.007 0.000 0.989 458 I CA -0.237 61.083 61.300 0.033 0.000 1.188 458 I CB 1.973 40.007 38.000 0.058 0.000 1.342 458 I HN 0.608 nan 8.210 nan 0.000 0.457 459 T N 6.767 121.321 114.554 0.000 0.000 2.934 459 T HA 0.338 4.688 4.350 -0.000 0.000 0.283 459 T C -2.472 172.224 174.700 -0.007 0.000 1.005 459 T CA -1.305 60.787 62.100 -0.013 0.000 1.041 459 T CB 1.215 70.066 68.868 -0.030 0.000 1.042 459 T HN 0.367 nan 8.240 nan 0.000 0.505 460 P HA 0.033 nan 4.420 nan 0.000 0.263 460 P C -0.136 177.161 177.300 -0.005 0.000 1.195 460 P CA -0.258 62.845 63.100 0.005 0.000 0.762 460 P CB 0.386 32.088 31.700 0.003 0.000 0.799 461 L N 4.332 125.568 121.223 0.020 0.000 2.534 461 L HA -0.004 4.336 4.340 -0.000 0.000 0.271 461 L C 1.001 177.882 176.870 0.019 0.000 1.178 461 L CA 0.449 55.304 54.840 0.025 0.000 0.907 461 L CB 0.163 42.271 42.059 0.082 0.000 1.164 461 L HN 0.326 nan 8.230 nan 0.000 0.482 462 K N 6.635 127.013 120.400 -0.037 0.000 2.202 462 K HA 0.357 4.677 4.320 -0.000 0.000 0.264 462 K C -2.191 174.456 176.600 0.079 0.000 1.010 462 K CA -1.630 54.637 56.287 -0.033 0.000 0.940 462 K CB 0.295 32.690 32.500 -0.176 0.000 0.983 462 K HN 0.447 nan 8.250 nan 0.000 0.475 463 P HA -0.014 nan 4.420 nan 0.000 0.267 463 P C -0.421 177.007 177.300 0.213 0.000 1.200 463 P CA 0.015 63.193 63.100 0.129 0.000 0.772 463 P CB 0.443 32.191 31.700 0.080 0.000 0.855 464 S N 1.041 116.843 115.700 0.170 0.000 2.546 464 S HA 0.249 4.719 4.470 -0.000 0.000 0.290 464 S C 0.886 175.489 174.600 0.005 0.000 1.290 464 S CA -0.267 57.977 58.200 0.074 0.000 1.069 464 S CB -0.048 63.196 63.200 0.074 0.000 0.846 464 S HN 0.650 nan 8.310 nan 0.000 0.495 465 A N 5.744 128.505 122.820 -0.099 0.000 2.455 465 A HA 0.368 4.687 4.320 -0.000 0.000 0.244 465 A C -2.153 175.374 177.584 -0.096 0.000 1.099 465 A CA -0.957 51.037 52.037 -0.072 0.000 0.786 465 A CB -0.701 18.232 19.000 -0.113 0.000 1.051 465 A HN 0.524 nan 8.150 nan 0.000 0.508 466 P HA 0.047 nan 4.420 nan 0.000 0.269 466 P C -0.233 177.022 177.300 -0.074 0.000 1.217 466 P CA -0.259 62.811 63.100 -0.049 0.000 0.783 466 P CB 0.380 32.065 31.700 -0.025 0.000 0.898 467 K N 2.182 122.552 120.400 -0.050 0.000 2.511 467 K HA 0.038 4.357 4.320 -0.000 0.000 0.280 467 K C 0.019 176.594 176.600 -0.042 0.000 1.008 467 K CA 0.568 56.828 56.287 -0.045 0.000 1.050 467 K CB -0.220 32.272 32.500 -0.013 0.000 0.889 467 K HN 0.406 nan 8.250 nan 0.000 0.484 468 I N 7.273 127.813 120.570 -0.050 0.000 2.325 468 I HA 0.133 4.303 4.170 -0.000 0.000 0.291 468 I C -1.861 174.248 176.117 -0.014 0.000 1.019 468 I CA -2.256 59.024 61.300 -0.035 0.000 1.302 468 I CB 1.126 39.099 38.000 -0.046 0.000 1.401 468 I HN 0.347 nan 8.210 nan 0.000 0.485 469 P HA 0.064 nan 4.420 nan 0.000 0.267 469 P C 0.922 178.227 177.300 0.008 0.000 1.200 469 P CA -0.121 62.982 63.100 0.006 0.000 0.772 469 P CB 0.925 32.631 31.700 0.009 0.000 0.855 470 I N 1.813 122.392 120.570 0.015 0.000 2.700 470 I HA -0.226 3.943 4.170 -0.000 0.000 0.261 470 I C 1.912 178.039 176.117 0.017 0.000 1.219 470 I CA 1.224 62.533 61.300 0.015 0.000 1.463 470 I CB -0.041 37.971 38.000 0.020 0.000 1.092 470 I HN 0.420 nan 8.210 nan 0.000 0.452 471 E N 0.116 120.328 120.200 0.020 0.000 2.216 471 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 471 E C 1.973 178.580 176.600 0.012 0.000 0.988 471 E CA 1.091 57.503 56.400 0.020 0.000 0.834 471 E CB -0.584 29.130 29.700 0.025 0.000 0.772 471 E HN 0.403 nan 8.360 nan 0.000 0.479 472 V N 0.917 120.835 119.914 0.007 0.000 2.788 472 V HA -0.120 3.999 4.120 -0.000 0.000 0.251 472 V C 2.259 178.352 176.094 -0.001 0.000 1.068 472 V CA 0.620 62.922 62.300 0.002 0.000 1.090 472 V CB -0.312 31.510 31.823 -0.001 0.000 0.710 472 V HN 0.120 nan 8.190 nan 0.000 0.467 473 L N -0.533 120.689 121.223 -0.001 0.000 2.027 473 L HA -0.021 4.319 4.340 -0.000 0.000 0.206 473 L C 2.047 178.914 176.870 -0.004 0.000 1.074 473 L CA 1.761 56.599 54.840 -0.003 0.000 0.745 473 L CB -0.901 41.158 42.059 0.000 0.000 0.898 473 L HN 0.217 nan 8.230 nan 0.000 0.433 474 L N -0.453 120.768 121.223 -0.002 0.000 2.549 474 L HA -0.106 4.234 4.340 -0.000 0.000 0.229 474 L C 2.282 179.144 176.870 -0.014 0.000 1.158 474 L CA 1.020 55.855 54.840 -0.009 0.000 0.842 474 L CB -0.945 41.115 42.059 0.002 0.000 0.952 474 L HN 0.378 nan 8.230 nan 0.000 0.452 475 E N -0.608 119.587 120.200 -0.008 0.000 2.268 475 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 475 E C 1.975 178.567 176.600 -0.014 0.000 0.995 475 E CA 0.857 57.252 56.400 -0.009 0.000 0.836 475 E CB -0.019 29.679 29.700 -0.003 0.000 0.763 475 E HN 0.499 nan 8.360 nan 0.000 0.491 476 A N 1.202 124.013 122.820 -0.015 0.000 2.235 476 A HA -0.062 4.258 4.320 -0.000 0.000 0.208 476 A C 2.137 179.703 177.584 -0.030 0.000 1.172 476 A CA 1.121 53.149 52.037 -0.016 0.000 0.786 476 A CB -0.621 18.374 19.000 -0.009 0.000 0.804 476 A HN 0.298 nan 8.150 nan 0.000 0.479 477 T N -2.199 112.328 114.554 -0.046 0.000 3.118 477 T HA 0.032 4.382 4.350 -0.000 0.000 0.260 477 T C 0.836 175.496 174.700 -0.067 0.000 1.139 477 T CA 0.412 62.466 62.100 -0.076 0.000 1.085 477 T CB -0.488 68.316 68.868 -0.108 0.000 0.934 477 T HN 0.463 nan 8.240 nan 0.000 0.518 478 K N 3.832 124.206 120.400 -0.044 0.000 2.419 478 K HA 0.137 4.456 4.320 -0.000 0.000 0.282 478 K C -2.375 174.204 176.600 -0.034 0.000 1.056 478 K CA -1.588 54.677 56.287 -0.036 0.000 1.035 478 K CB 0.348 32.834 32.500 -0.024 0.000 0.921 478 K HN 0.162 nan 8.250 nan 0.000 0.472 479 P HA 0.037 nan 4.420 nan 0.000 0.276 479 P C -0.951 176.333 177.300 -0.026 0.000 1.230 479 P CA -0.235 62.847 63.100 -0.029 0.000 0.776 479 P CB 1.159 32.842 31.700 -0.028 0.000 0.888 480 T N 0.078 114.615 114.554 -0.028 0.000 2.916 480 T HA 0.597 4.946 4.350 -0.000 0.000 0.292 480 T C 0.059 174.729 174.700 -0.049 0.000 1.064 480 T CA -1.005 61.069 62.100 -0.044 0.000 1.011 480 T CB 0.850 69.682 68.868 -0.060 0.000 1.152 480 T HN 0.133 nan 8.240 nan 0.000 0.510 481 L N 2.779 123.960 121.223 -0.070 0.000 2.349 481 L HA 0.427 4.767 4.340 -0.000 0.000 0.275 481 L C -1.558 175.250 176.870 -0.103 0.000 1.115 481 L CA -1.955 52.848 54.840 -0.062 0.000 0.820 481 L CB 0.479 42.508 42.059 -0.050 0.000 1.135 481 L HN 0.578 nan 8.230 nan 0.000 0.445 482 P HA 0.069 nan 4.420 nan 0.000 0.270 482 P C -0.697 176.647 177.300 0.073 0.000 1.223 482 P CA -0.190 62.917 63.100 0.012 0.000 0.785 482 P CB 0.455 32.157 31.700 0.003 0.000 0.923 483 F N 1.563 121.696 119.950 0.305 0.000 2.450 483 F HA 0.217 4.744 4.527 -0.001 0.000 0.339 483 F C -1.158 174.894 175.800 0.420 0.000 1.146 483 F CA -1.561 56.631 58.000 0.319 0.000 1.267 483 F CB -0.506 38.693 39.000 0.332 0.000 1.178 483 F HN 0.227 nan 8.300 nan 0.000 0.585 484 P HA -0.032 nan 4.420 nan 0.000 0.276 484 P C -0.852 176.767 177.300 0.530 0.000 1.230 484 P CA -0.146 63.202 63.100 0.413 0.000 0.776 484 P CB 0.623 32.470 31.700 0.245 0.000 0.888 485 W N 2.764 124.129 121.300 0.108 0.000 2.449 485 W HA 0.242 4.902 4.660 -0.001 0.000 0.331 485 W C 0.125 176.680 176.519 0.060 0.000 1.119 485 W CA -0.794 56.604 57.345 0.088 0.000 1.240 485 W CB 1.852 31.365 29.460 0.089 0.000 1.251 485 W HN 0.205 nan 8.180 nan 0.000 0.576 486 L N 5.522 126.856 121.223 0.185 0.000 2.439 486 L HA 0.070 4.409 4.340 -0.000 0.000 0.269 486 L C -0.889 176.077 176.870 0.160 0.000 1.179 486 L CA -1.359 53.547 54.840 0.110 0.000 0.828 486 L CB 0.337 42.412 42.059 0.026 0.000 1.106 486 L HN 0.213 nan 8.230 nan 0.000 0.467 487 P HA -0.093 nan 4.420 nan 0.000 0.226 487 P C -0.226 177.136 177.300 0.103 0.000 1.153 487 P CA 0.770 63.938 63.100 0.114 0.000 0.777 487 P CB 0.514 32.261 31.700 0.079 0.000 0.794 488 E N -1.019 119.234 120.200 0.088 0.000 2.400 488 E HA 0.174 4.524 4.350 -0.000 0.000 0.285 488 E C -1.079 175.548 176.600 0.045 0.000 1.005 488 E CA -0.430 56.010 56.400 0.067 0.000 0.816 488 E CB 1.179 30.909 29.700 0.050 0.000 1.220 488 E HN -0.223 nan 8.360 nan 0.000 0.426 489 T N 1.750 116.327 114.554 0.038 0.000 2.940 489 T HA 0.015 4.365 4.350 -0.000 0.000 0.309 489 T C 0.811 175.512 174.700 0.001 0.000 1.056 489 T CA 0.031 62.138 62.100 0.012 0.000 1.137 489 T CB 0.395 69.270 68.868 0.011 0.000 0.976 489 T HN 0.530 nan 8.240 nan 0.000 0.547 490 D N 0.946 121.336 120.400 -0.017 0.000 2.340 490 D HA -0.041 4.599 4.640 -0.000 0.000 0.220 490 D C 0.307 176.590 176.300 -0.029 0.000 1.039 490 D CA 0.115 54.102 54.000 -0.021 0.000 0.866 490 D CB 0.113 40.895 40.800 -0.030 0.000 0.913 490 D HN 0.331 nan 8.370 nan 0.000 0.523 491 M N 1.034 120.615 119.600 -0.031 0.000 2.389 491 M HA 0.252 4.732 4.480 -0.000 0.000 0.206 491 M C -0.711 175.572 176.300 -0.029 0.000 0.976 491 M CA -0.399 54.875 55.300 -0.044 0.000 0.648 491 M CB 1.245 33.802 32.600 -0.071 0.000 1.474 491 M HN -0.219 nan 8.290 nan 0.000 0.398 492 K N 0.288 120.680 120.400 -0.013 0.000 2.298 492 K HA 0.254 4.574 4.320 -0.000 0.000 0.280 492 K C 1.233 177.832 176.600 -0.001 0.000 1.032 492 K CA -0.271 56.020 56.287 0.006 0.000 0.958 492 K CB 1.976 34.483 32.500 0.012 0.000 0.978 492 K HN 0.185 nan 8.250 nan 0.000 0.472 493 V N 2.557 122.483 119.914 0.021 0.000 2.688 493 V HA -0.202 3.917 4.120 -0.000 0.000 0.256 493 V C -0.052 176.053 176.094 0.017 0.000 1.084 493 V CA 1.376 63.686 62.300 0.016 0.000 1.103 493 V CB -0.854 31.013 31.823 0.074 0.000 0.688 493 V HN 0.993 nan 8.190 nan 0.000 0.480 494 D N 0.239 120.654 120.400 0.025 0.000 4.693 494 D HA -0.112 4.528 4.640 -0.000 0.000 0.242 494 D C 0.797 177.116 176.300 0.030 0.000 1.084 494 D CA 0.649 54.661 54.000 0.021 0.000 1.227 494 D CB -0.385 40.419 40.800 0.006 0.000 0.779 494 D HN 0.508 nan 8.370 nan 0.000 0.380 495 G N 0.000 108.820 108.800 0.034 0.000 5.446 495 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 495 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 495 G CA 0.000 45.121 45.100 0.036 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925