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 2df7_1_L DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQSNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLPGGVYAL NGTINAVTFQ GSLSELTDVS YNGLMSATAN INDKIGNVLV DATA SEQUENCE GEGVTVLSLP TSYDLGYVRL GDPIPAIGLD PKMVATCDSS DRPRVYTITA DATA SEQUENCE ADDYQFSSQY QSGGVTITLF SANIDAITSL SIGGELVFHT SVHGLALDAT DATA SEQUENCE IYLIGFDGTT VITRAVASDN GLTTGIDNLM PFNLVIPTNE ITQPITSIKL DATA SEQUENCE EIVTSKSGGQ AGDQMSWSAS GSLAVTIHGG NYPGALRPVT LVAYERVATG DATA SEQUENCE SVVTVAGVSN FELIPNPELA KNLVTEYGRF DPGAMNYTKL ILSERERLGI DATA SEQUENCE KTVWPTREYT DFREYFME 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.074 176.117 -0.072 0.000 1.063 11 I CA 0.000 61.227 61.300 -0.121 0.000 1.566 11 I CB 0.000 37.914 38.000 -0.143 0.000 1.214 12 V N 8.837 128.675 119.914 -0.127 0.000 2.539 12 V HA 0.002 4.122 4.120 -0.000 0.000 0.294 12 V C -1.508 174.609 176.094 0.039 0.000 0.994 12 V CA -0.078 62.187 62.300 -0.058 0.000 1.169 12 V CB -0.180 31.584 31.823 -0.099 0.000 0.898 12 V HN 0.781 nan 8.190 nan 0.000 0.471 13 P HA -0.204 nan 4.420 nan 0.000 0.215 13 P C 1.626 178.967 177.300 0.069 0.000 1.157 13 P CA 1.276 64.415 63.100 0.065 0.000 0.874 13 P CB 0.012 31.758 31.700 0.075 0.000 0.790 14 F N 0.456 120.419 119.950 0.022 0.000 2.095 14 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 14 F C 1.962 177.793 175.800 0.052 0.000 1.104 14 F CA 1.460 59.474 58.000 0.022 0.000 1.232 14 F CB -0.816 38.180 39.000 -0.007 0.000 0.987 14 F HN -0.243 nan 8.300 nan 0.000 0.475 15 I N 0.466 120.966 120.570 -0.117 0.000 2.208 15 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 15 I C 2.584 178.615 176.117 -0.143 0.000 1.097 15 I CA 1.465 62.717 61.300 -0.079 0.000 1.363 15 I CB -1.503 36.651 38.000 0.257 0.000 1.051 15 I HN 0.232 nan 8.210 nan 0.000 0.413 16 R N 0.500 120.965 120.500 -0.058 0.000 2.081 16 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 16 R C 2.606 178.785 176.300 -0.201 0.000 1.131 16 R CA 1.935 57.964 56.100 -0.120 0.000 0.960 16 R CB -0.136 30.183 30.300 0.032 0.000 0.856 16 R HN 0.258 nan 8.270 nan 0.000 0.436 17 S N 0.365 115.943 115.700 -0.203 0.000 2.355 17 S HA -0.132 4.338 4.470 -0.000 0.000 0.222 17 S C 1.907 176.355 174.600 -0.254 0.000 1.031 17 S CA 1.134 59.215 58.200 -0.197 0.000 0.993 17 S CB -0.269 62.835 63.200 -0.161 0.000 0.859 17 S HN 0.334 nan 8.310 nan 0.000 0.453 18 L N 1.515 122.479 121.223 -0.432 0.000 2.012 18 L HA 0.072 4.412 4.340 -0.000 0.000 0.210 18 L C 2.018 178.796 176.870 -0.153 0.000 1.073 18 L CA 1.857 56.492 54.840 -0.340 0.000 0.748 18 L CB -0.540 41.216 42.059 -0.506 0.000 0.891 18 L HN 0.401 nan 8.230 nan 0.000 0.431 19 L N -1.677 119.455 121.223 -0.152 0.000 2.446 19 L HA 0.059 4.399 4.340 -0.000 0.000 0.219 19 L C 0.658 177.523 176.870 -0.007 0.000 1.116 19 L CA 0.307 55.125 54.840 -0.036 0.000 0.844 19 L CB -0.025 42.008 42.059 -0.042 0.000 0.970 19 L HN 0.251 nan 8.230 nan 0.000 0.457 20 M N -0.796 118.734 119.600 -0.116 0.000 2.353 20 M HA 0.231 4.711 4.480 -0.000 0.000 0.218 20 M C -1.994 174.268 176.300 -0.064 0.000 1.044 20 M CA -1.193 54.071 55.300 -0.060 0.000 0.615 20 M CB 1.705 34.200 32.600 -0.175 0.000 1.531 20 M HN -0.265 nan 8.290 nan 0.000 0.378 21 P HA -0.189 nan 4.420 nan 0.000 0.217 21 P C 1.405 178.675 177.300 -0.050 0.000 1.148 21 P CA 1.604 64.662 63.100 -0.071 0.000 0.828 21 P CB -0.119 31.528 31.700 -0.088 0.000 0.783 22 T N -4.443 110.093 114.554 -0.030 0.000 3.051 22 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 22 T C 1.530 176.221 174.700 -0.015 0.000 1.127 22 T CA 1.589 63.679 62.100 -0.018 0.000 1.107 22 T CB -1.551 67.315 68.868 -0.005 0.000 0.898 22 T HN 0.219 nan 8.240 nan 0.000 0.517 23 T N -1.865 112.674 114.554 -0.025 0.000 3.113 23 T HA 0.490 4.840 4.350 -0.000 0.000 0.256 23 T C 1.178 175.873 174.700 -0.007 0.000 1.131 23 T CA 0.210 62.300 62.100 -0.018 0.000 1.074 23 T CB -0.497 68.355 68.868 -0.027 0.000 0.944 23 T HN 1.147 nan 8.240 nan 0.000 0.516 24 G N 1.555 110.348 108.800 -0.010 0.000 2.381 24 G HA2 0.238 4.198 3.960 -0.000 0.000 0.672 24 G HA3 0.238 4.198 3.960 -0.000 0.000 0.672 24 G C -3.369 171.534 174.900 0.005 0.000 1.324 24 G CA -0.656 44.448 45.100 0.007 0.000 0.975 24 G HN 0.278 nan 8.290 nan 0.000 0.593 25 P HA 0.688 nan 4.420 nan 0.000 0.278 25 P C -0.307 177.045 177.300 0.086 0.000 1.266 25 P CA 0.385 63.516 63.100 0.053 0.000 0.807 25 P CB 1.969 33.718 31.700 0.081 0.000 1.094 26 A N 0.220 123.122 122.820 0.137 0.000 2.612 26 A HA 0.547 4.867 4.320 -0.000 0.000 0.293 26 A C -0.569 177.171 177.584 0.259 0.000 1.075 26 A CA -0.527 51.623 52.037 0.190 0.000 0.680 26 A CB 0.629 19.749 19.000 0.200 0.000 1.279 26 A HN 0.381 nan 8.150 nan 0.000 0.411 27 S N 0.672 116.519 115.700 0.244 0.000 2.580 27 S HA 0.429 4.899 4.470 -0.000 0.000 0.274 27 S C 0.314 174.942 174.600 0.047 0.000 1.329 27 S CA -0.271 58.053 58.200 0.207 0.000 1.036 27 S CB 0.229 63.595 63.200 0.277 0.000 0.919 27 S HN 0.467 nan 8.310 nan 0.000 0.515 28 I N 4.780 125.271 120.570 -0.130 0.000 2.598 28 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 28 I C -1.474 174.336 176.117 -0.511 0.000 1.140 28 I CA -1.468 59.484 61.300 -0.579 0.000 1.420 28 I CB 0.433 38.191 38.000 -0.403 0.000 1.387 28 I HN 0.429 nan 8.210 nan 0.000 0.553 29 P HA 0.052 nan 4.420 nan 0.000 0.237 29 P C -0.844 176.291 177.300 -0.275 0.000 1.723 29 P CA -0.144 62.736 63.100 -0.367 0.000 0.882 29 P CB -0.451 31.051 31.700 -0.330 0.000 1.810 30 D N -0.942 119.311 120.400 -0.245 0.000 2.509 30 D HA 0.115 4.755 4.640 -0.000 0.000 0.275 30 D C 0.487 176.764 176.300 -0.037 0.000 1.189 30 D CA -0.311 53.608 54.000 -0.134 0.000 1.098 30 D CB -0.150 40.580 40.800 -0.115 0.000 1.177 30 D HN -0.212 nan 8.370 nan 0.000 0.599 31 D N -1.439 118.958 120.400 -0.005 0.000 2.363 31 D HA 0.061 4.701 4.640 -0.000 0.000 0.214 31 D C -0.048 176.278 176.300 0.043 0.000 1.093 31 D CA 0.251 54.262 54.000 0.018 0.000 0.837 31 D CB 0.155 40.964 40.800 0.015 0.000 0.948 31 D HN 0.245 nan 8.370 nan 0.000 0.507 32 T N 2.224 116.813 114.554 0.058 0.000 4.104 32 T HA 0.172 4.522 4.350 -0.000 0.000 0.285 32 T C 0.905 175.704 174.700 0.164 0.000 1.346 32 T CA -0.136 62.031 62.100 0.111 0.000 1.158 32 T CB -0.330 68.612 68.868 0.123 0.000 1.290 32 T HN 0.027 nan 8.240 nan 0.000 0.975 33 L N 3.763 125.074 121.223 0.147 0.000 2.536 33 L HA 0.241 4.581 4.340 -0.000 0.000 0.282 33 L C 0.733 177.805 176.870 0.337 0.000 1.174 33 L CA 0.280 55.259 54.840 0.233 0.000 0.989 33 L CB -0.188 41.938 42.059 0.113 0.000 1.311 33 L HN 0.417 nan 8.230 nan 0.000 0.455 34 E N 3.034 123.425 120.200 0.320 0.000 2.277 34 E HA 0.375 4.725 4.350 -0.000 0.000 0.266 34 E C -0.765 175.859 176.600 0.040 0.000 0.901 34 E CA -1.025 55.433 56.400 0.097 0.000 0.782 34 E CB 2.644 32.179 29.700 -0.274 0.000 1.228 34 E HN 0.324 nan 8.360 nan 0.000 0.424 35 K N 2.838 123.030 120.400 -0.347 0.000 2.339 35 K HA 0.132 4.452 4.320 -0.000 0.000 0.286 35 K C 0.082 176.597 176.600 -0.141 0.000 1.050 35 K CA 0.052 56.053 56.287 -0.477 0.000 0.956 35 K CB 0.326 32.484 32.500 -0.569 0.000 0.990 35 K HN 0.538 nan 8.250 nan 0.000 0.475 36 H N -0.377 118.626 119.070 -0.112 0.000 3.015 36 H HA 0.464 5.020 4.556 -0.000 0.000 0.282 36 H C -1.103 174.258 175.328 0.056 0.000 1.508 36 H CA -0.788 55.266 56.048 0.010 0.000 1.209 36 H CB 1.775 31.634 29.762 0.163 0.000 1.869 36 H HN 0.447 nan 8.280 nan 0.000 0.591 37 T N 0.430 115.093 114.554 0.182 0.000 2.906 37 T HA 0.571 4.921 4.350 -0.000 0.000 0.295 37 T C -1.012 173.828 174.700 0.233 0.000 1.075 37 T CA -0.738 61.431 62.100 0.115 0.000 1.005 37 T CB 1.165 70.119 68.868 0.142 0.000 1.136 37 T HN 0.412 nan 8.240 nan 0.000 0.498 38 L N 3.871 125.198 121.223 0.173 0.000 2.307 38 L HA 0.744 5.084 4.340 -0.000 0.000 0.284 38 L C 0.176 177.128 176.870 0.138 0.000 1.023 38 L CA -1.004 53.949 54.840 0.188 0.000 0.810 38 L CB 1.297 43.460 42.059 0.174 0.000 1.231 38 L HN 0.406 nan 8.230 nan 0.000 0.423 39 R N 1.406 121.995 120.500 0.148 0.000 2.771 39 R HA 0.613 4.953 4.340 -0.000 0.000 0.274 39 R C -1.378 175.036 176.300 0.190 0.000 0.987 39 R CA -0.873 55.312 56.100 0.143 0.000 0.908 39 R CB 2.384 32.730 30.300 0.078 0.000 1.213 39 R HN 0.491 nan 8.270 nan 0.000 0.468 40 S N 1.268 117.062 115.700 0.156 0.000 2.502 40 S HA 0.468 4.938 4.470 -0.000 0.000 0.304 40 S C -0.871 173.832 174.600 0.172 0.000 1.097 40 S CA -0.764 57.517 58.200 0.136 0.000 1.045 40 S CB 1.987 65.231 63.200 0.074 0.000 1.019 40 S HN 0.252 nan 8.310 nan 0.000 0.481 41 E N 2.433 122.764 120.200 0.219 0.000 2.224 41 E HA 0.361 4.711 4.350 -0.000 0.000 0.265 41 E C -0.274 176.419 176.600 0.156 0.000 0.878 41 E CA -0.465 56.066 56.400 0.218 0.000 0.759 41 E CB 2.047 31.953 29.700 0.345 0.000 1.164 41 E HN 0.721 nan 8.360 nan 0.000 0.414 42 T N -0.662 113.955 114.554 0.105 0.000 2.874 42 T HA 0.568 4.918 4.350 -0.000 0.000 0.281 42 T C 0.283 175.035 174.700 0.086 0.000 0.994 42 T CA -0.617 61.526 62.100 0.072 0.000 1.015 42 T CB 1.103 69.993 68.868 0.036 0.000 1.028 42 T HN 0.116 nan 8.240 nan 0.000 0.523 43 S N 0.953 116.700 115.700 0.078 0.000 2.594 43 S HA 0.687 5.157 4.470 -0.000 0.000 0.296 43 S C -0.582 174.036 174.600 0.030 0.000 1.124 43 S CA -0.888 57.383 58.200 0.119 0.000 1.011 43 S CB 1.504 64.847 63.200 0.239 0.000 1.016 43 S HN 1.118 nan 8.310 nan 0.000 0.485 44 T N 1.227 115.664 114.554 -0.194 0.000 2.937 44 T HA 0.740 5.090 4.350 -0.000 0.000 0.297 44 T C -1.384 172.947 174.700 -0.615 0.000 0.991 44 T CA -0.498 61.457 62.100 -0.243 0.000 0.990 44 T CB 0.479 69.242 68.868 -0.175 0.000 0.991 44 T HN 0.412 nan 8.240 nan 0.000 0.440 45 Y N 1.310 121.615 120.300 0.008 0.000 2.524 45 Y HA 0.612 5.162 4.550 -0.000 0.000 0.347 45 Y C -0.271 175.609 175.900 -0.034 0.000 1.005 45 Y CA -1.251 56.841 58.100 -0.012 0.000 1.025 45 Y CB 2.448 40.896 38.460 -0.020 0.000 1.275 45 Y HN 0.583 nan 8.280 nan 0.000 0.460 46 N N 3.156 121.912 118.700 0.093 0.000 2.623 46 N HA 0.396 5.136 4.740 -0.000 0.000 0.256 46 N C -1.422 174.102 175.510 0.023 0.000 1.045 46 N CA -0.319 52.748 53.050 0.028 0.000 0.863 46 N CB 1.213 39.701 38.487 0.002 0.000 1.182 46 N HN 0.534 nan 8.380 nan 0.000 0.523 47 L N 0.883 122.084 121.223 -0.037 0.000 2.375 47 L HA 0.441 4.781 4.340 -0.000 0.000 0.271 47 L C 0.750 177.594 176.870 -0.044 0.000 1.107 47 L CA -0.293 54.496 54.840 -0.085 0.000 0.806 47 L CB 0.908 42.745 42.059 -0.370 0.000 1.146 47 L HN 0.184 nan 8.230 nan 0.000 0.447 48 T N 1.700 116.278 114.554 0.040 0.000 2.799 48 T HA 0.335 4.685 4.350 -0.000 0.000 0.286 48 T C -0.018 174.746 174.700 0.107 0.000 0.973 48 T CA -0.455 61.673 62.100 0.047 0.000 1.035 48 T CB 1.664 70.558 68.868 0.044 0.000 0.932 48 T HN 0.189 nan 8.240 nan 0.000 0.469 49 V N 3.639 123.590 119.914 0.062 0.000 2.530 49 V HA 0.436 4.556 4.120 -0.000 0.000 0.282 49 V C 1.264 177.427 176.094 0.114 0.000 1.048 49 V CA -0.301 62.073 62.300 0.123 0.000 0.997 49 V CB 0.957 32.809 31.823 0.049 0.000 0.987 49 V HN 1.043 nan 8.190 nan 0.000 0.477 50 G N 2.804 111.690 108.800 0.144 0.000 2.570 50 G HA2 0.105 4.065 3.960 -0.000 0.000 0.276 50 G HA3 0.105 4.065 3.960 -0.000 0.000 0.276 50 G C 0.605 175.540 174.900 0.059 0.000 1.346 50 G CA -0.158 44.991 45.100 0.082 0.000 1.034 50 G HN 0.754 nan 8.290 nan 0.000 0.512 51 D N -0.687 119.732 120.400 0.031 0.000 2.264 51 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 51 D C 2.434 178.741 176.300 0.012 0.000 0.966 51 D CA 1.739 55.748 54.000 0.016 0.000 0.864 51 D CB -0.267 40.534 40.800 0.002 0.000 0.933 51 D HN 0.485 nan 8.370 nan 0.000 0.499 52 T N -2.689 111.873 114.554 0.013 0.000 3.088 52 T HA 0.255 4.605 4.350 -0.000 0.000 0.259 52 T C 1.764 176.475 174.700 0.019 0.000 1.122 52 T CA 0.842 62.940 62.100 -0.003 0.000 1.095 52 T CB 0.140 68.989 68.868 -0.032 0.000 0.930 52 T HN 0.240 nan 8.240 nan 0.000 0.508 53 G N 0.203 109.044 108.800 0.068 0.000 2.155 53 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.257 53 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.257 53 G C 0.113 175.133 174.900 0.201 0.000 0.983 53 G CA 0.288 45.459 45.100 0.119 0.000 0.676 53 G HN 0.846 nan 8.290 nan 0.000 0.528 54 S N -0.841 114.932 115.700 0.123 0.000 2.536 54 S HA 0.896 5.366 4.470 -0.000 0.000 0.298 54 S C 0.335 174.805 174.600 -0.216 0.000 1.083 54 S CA 0.557 58.734 58.200 -0.037 0.000 0.995 54 S CB 1.894 65.042 63.200 -0.088 0.000 1.058 54 S HN 1.724 nan 8.310 nan 0.000 0.488 55 G N 1.016 109.333 108.800 -0.806 0.000 2.548 55 G HA2 0.600 4.560 3.960 -0.000 0.000 0.301 55 G HA3 0.600 4.560 3.960 -0.000 0.000 0.301 55 G C -2.424 172.177 174.900 -0.498 0.000 1.349 55 G CA -0.553 44.202 45.100 -0.575 0.000 0.792 55 G HN 0.755 nan 8.290 nan 0.000 0.481 56 L N -0.093 121.086 121.223 -0.073 0.000 2.464 56 L HA 0.758 5.098 4.340 -0.000 0.000 0.266 56 L C -1.168 175.750 176.870 0.079 0.000 0.965 56 L CA -0.624 54.197 54.840 -0.031 0.000 0.833 56 L CB 1.848 43.802 42.059 -0.174 0.000 1.296 56 L HN 0.516 nan 8.230 nan 0.000 0.405 57 I N 5.351 125.908 120.570 -0.022 0.000 2.378 57 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 57 I C -0.723 175.118 176.117 -0.460 0.000 0.992 57 I CA -1.032 60.127 61.300 -0.235 0.000 1.154 57 I CB 1.876 39.640 38.000 -0.394 0.000 1.315 57 I HN 0.223 nan 8.210 nan 0.000 0.448 58 V N 7.050 126.660 119.914 -0.507 0.000 2.350 58 V HA 0.377 4.497 4.120 -0.000 0.000 0.276 58 V C -0.290 175.320 176.094 -0.807 0.000 1.028 58 V CA -0.296 61.661 62.300 -0.571 0.000 0.860 58 V CB 0.882 32.403 31.823 -0.503 0.000 0.990 58 V HN 0.409 nan 8.190 nan 0.000 0.453 59 F N 3.925 123.604 119.950 -0.452 0.000 2.458 59 F HA 0.581 5.108 4.527 0.000 0.000 0.330 59 F C 0.044 175.509 175.800 -0.558 0.000 1.082 59 F CA -0.623 57.122 58.000 -0.424 0.000 0.995 59 F CB 1.772 40.675 39.000 -0.163 0.000 1.170 59 F HN 0.354 nan 8.300 nan 0.000 0.478 60 F N 3.457 123.573 119.950 0.277 0.000 2.366 60 F HA 0.256 4.783 4.527 -0.000 0.000 0.328 60 F C -1.482 174.459 175.800 0.235 0.000 1.180 60 F CA -1.763 56.374 58.000 0.229 0.000 1.232 60 F CB 0.099 39.233 39.000 0.224 0.000 1.513 60 F HN 0.279 nan 8.300 nan 0.000 0.540 61 P HA -0.222 nan 4.420 nan 0.000 0.218 61 P C 1.371 178.769 177.300 0.163 0.000 1.154 61 P CA 1.755 64.943 63.100 0.146 0.000 0.872 61 P CB 0.258 31.997 31.700 0.066 0.000 0.790 62 G N -1.964 106.958 108.800 0.203 0.000 3.371 62 G HA2 0.078 4.038 3.960 -0.000 0.000 0.248 62 G HA3 0.078 4.038 3.960 -0.000 0.000 0.248 62 G C -0.154 174.885 174.900 0.232 0.000 1.161 62 G CA -0.482 44.717 45.100 0.164 0.000 0.796 62 G HN 0.145 nan 8.290 nan 0.000 0.539 63 F N 3.094 123.170 119.950 0.210 0.000 2.571 63 F HA 0.239 4.766 4.527 -0.000 0.000 0.384 63 F C -1.451 174.486 175.800 0.229 0.000 1.058 63 F CA -2.355 55.768 58.000 0.204 0.000 1.200 63 F CB 1.042 40.167 39.000 0.208 0.000 1.077 63 F HN -0.016 nan 8.300 nan 0.000 0.558 64 P HA 0.305 nan 4.420 nan 0.000 0.231 64 P C -0.083 177.156 177.300 -0.102 0.000 1.811 64 P CA 0.359 63.381 63.100 -0.129 0.000 1.051 64 P CB 0.162 31.715 31.700 -0.245 0.000 1.951 65 G N 0.273 109.286 108.800 0.355 0.000 2.367 65 G HA2 0.013 3.973 3.960 -0.000 0.000 0.272 65 G HA3 0.013 3.973 3.960 -0.000 0.000 0.272 65 G C 0.327 175.494 174.900 0.444 0.000 1.271 65 G CA -0.331 44.930 45.100 0.267 0.000 0.893 65 G HN -0.057 nan 8.290 nan 0.000 0.485 66 S N -0.430 115.436 115.700 0.276 0.000 2.527 66 S HA 0.208 4.678 4.470 -0.000 0.000 0.222 66 S C 1.099 175.801 174.600 0.170 0.000 0.985 66 S CA 0.187 58.518 58.200 0.218 0.000 0.921 66 S CB -0.316 62.953 63.200 0.116 0.000 0.772 66 S HN 0.348 nan 8.310 nan 0.000 0.529 67 I N 1.678 122.242 120.570 -0.010 0.000 2.363 67 I HA 0.098 4.268 4.170 -0.000 0.000 0.292 67 I C 0.892 176.984 176.117 -0.041 0.000 1.075 67 I CA -0.178 60.958 61.300 -0.274 0.000 1.333 67 I CB 1.122 38.559 38.000 -0.938 0.000 1.415 67 I HN -0.046 nan 8.210 nan 0.000 0.502 68 V N 5.561 125.572 119.914 0.163 0.000 2.795 68 V HA 0.362 4.482 4.120 -0.000 0.000 0.243 68 V C 1.047 177.371 176.094 0.383 0.000 1.069 68 V CA 1.126 63.610 62.300 0.306 0.000 1.089 68 V CB 0.166 32.165 31.823 0.293 0.000 0.756 68 V HN 0.979 nan 8.190 nan 0.000 0.471 69 G N -1.180 107.763 108.800 0.238 0.000 2.348 69 G HA2 0.662 4.622 3.960 -0.000 0.000 0.296 69 G HA3 0.662 4.622 3.960 -0.000 0.000 0.296 69 G C -1.880 172.994 174.900 -0.044 0.000 1.258 69 G CA 0.129 45.225 45.100 -0.007 0.000 0.868 69 G HN 0.633 nan 8.290 nan 0.000 0.488 70 A N -0.530 122.161 122.820 -0.216 0.000 2.488 70 A HA 0.765 5.085 4.320 -0.000 0.000 0.298 70 A C -1.209 176.180 177.584 -0.325 0.000 1.044 70 A CA -0.434 51.496 52.037 -0.178 0.000 0.693 70 A CB 1.356 20.373 19.000 0.028 0.000 1.272 70 A HN 1.156 nan 8.150 nan 0.000 0.402 71 H N 1.452 120.186 119.070 -0.560 0.000 2.458 71 H HA 0.662 5.218 4.556 -0.000 0.000 0.330 71 H C -1.667 173.280 175.328 -0.634 0.000 1.111 71 H CA -0.272 55.498 56.048 -0.464 0.000 1.245 71 H CB 0.849 30.402 29.762 -0.348 0.000 1.456 71 H HN 0.618 nan 8.280 nan 0.000 0.488 72 Y N 1.681 121.736 120.300 -0.408 0.000 2.462 72 Y HA 0.196 4.746 4.550 -0.000 0.000 0.346 72 Y C 0.312 176.023 175.900 -0.314 0.000 0.976 72 Y CA -0.831 57.091 58.100 -0.296 0.000 1.044 72 Y CB 2.231 40.667 38.460 -0.041 0.000 1.230 72 Y HN 0.599 nan 8.280 nan 0.000 0.455 73 T N 0.218 114.747 114.554 -0.043 0.000 2.929 73 T HA 0.596 4.946 4.350 -0.000 0.000 0.284 73 T C -0.978 173.818 174.700 0.160 0.000 1.014 73 T CA -0.799 61.318 62.100 0.028 0.000 1.051 73 T CB 1.496 70.362 68.868 -0.003 0.000 1.028 73 T HN 0.441 nan 8.240 nan 0.000 0.485 74 L N 2.278 123.534 121.223 0.055 0.000 2.292 74 L HA 0.407 4.747 4.340 -0.000 0.000 0.284 74 L C 0.024 176.829 176.870 -0.108 0.000 1.065 74 L CA -0.018 54.735 54.840 -0.144 0.000 0.806 74 L CB 0.883 42.797 42.059 -0.242 0.000 1.175 74 L HN 0.765 nan 8.230 nan 0.000 0.431 75 Q N 2.280 121.999 119.800 -0.134 0.000 2.205 75 Q HA 0.312 4.652 4.340 -0.000 0.000 0.249 75 Q C 1.155 177.097 176.000 -0.097 0.000 0.948 75 Q CA -0.110 55.643 55.803 -0.083 0.000 0.895 75 Q CB 1.295 29.999 28.738 -0.057 0.000 1.249 75 Q HN 0.823 nan 8.270 nan 0.000 0.458 76 S N 1.240 116.901 115.700 -0.065 0.000 2.402 76 S HA -0.232 4.237 4.470 -0.000 0.000 0.233 76 S C 1.251 175.808 174.600 -0.073 0.000 1.030 76 S CA 1.886 60.049 58.200 -0.063 0.000 1.003 76 S CB -0.482 62.692 63.200 -0.043 0.000 0.813 76 S HN 0.780 nan 8.310 nan 0.000 0.477 77 N N 1.477 120.132 118.700 -0.074 0.000 2.521 77 N HA 0.207 4.947 4.740 -0.000 0.000 0.188 77 N C 1.126 176.573 175.510 -0.105 0.000 1.146 77 N CA 0.819 53.823 53.050 -0.077 0.000 0.893 77 N CB -0.607 37.842 38.487 -0.064 0.000 0.975 77 N HN 0.527 nan 8.380 nan 0.000 0.451 78 G N -1.083 107.632 108.800 -0.142 0.000 2.175 78 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.244 78 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.244 78 G C -0.435 174.304 174.900 -0.268 0.000 0.982 78 G CA 0.012 44.996 45.100 -0.193 0.000 0.641 78 G HN 0.568 nan 8.290 nan 0.000 0.527 79 N N -0.708 117.857 118.700 -0.225 0.000 2.489 79 N HA 0.620 5.360 4.740 -0.000 0.000 0.284 79 N C -0.515 174.847 175.510 -0.246 0.000 1.158 79 N CA -0.691 52.225 53.050 -0.223 0.000 0.965 79 N CB 0.847 39.265 38.487 -0.115 0.000 1.195 79 N HN 0.187 nan 8.380 nan 0.000 0.506 80 Y N 0.575 120.806 120.300 -0.115 0.000 2.374 80 Y HA 0.292 4.842 4.550 -0.000 0.000 0.322 80 Y C 0.414 176.347 175.900 0.055 0.000 1.275 80 Y CA -0.120 57.964 58.100 -0.026 0.000 1.307 80 Y CB 1.072 39.505 38.460 -0.046 0.000 1.282 80 Y HN 0.228 nan 8.280 nan 0.000 0.509 81 K N 2.521 123.126 120.400 0.342 0.000 2.507 81 K HA 0.248 4.568 4.320 -0.000 0.000 0.251 81 K C -1.563 175.229 176.600 0.320 0.000 0.943 81 K CA -0.757 55.689 56.287 0.265 0.000 0.794 81 K CB 0.979 33.553 32.500 0.124 0.000 1.188 81 K HN 0.557 nan 8.250 nan 0.000 0.428 82 F N 3.817 123.892 119.950 0.209 0.000 2.572 82 F HA 0.006 4.533 4.527 -0.000 0.000 0.370 82 F C 0.854 176.578 175.800 -0.127 0.000 1.103 82 F CA 0.633 58.621 58.000 -0.019 0.000 1.286 82 F CB 0.847 39.861 39.000 0.022 0.000 1.105 82 F HN 0.799 nan 8.300 nan 0.000 0.583 83 D N 2.312 122.033 120.400 -1.133 0.000 3.032 83 D HA 0.123 4.763 4.640 -0.000 0.000 0.280 83 D C -0.628 174.909 176.300 -1.273 0.000 1.381 83 D CA 0.991 54.469 54.000 -0.869 0.000 1.068 83 D CB 0.235 40.687 40.800 -0.580 0.000 1.148 83 D HN 0.700 nan 8.370 nan 0.000 0.401 84 Q N -1.244 117.718 119.800 -1.396 0.000 2.756 84 Q HA 0.338 4.678 4.340 -0.000 0.000 0.295 84 Q C -1.146 174.602 176.000 -0.420 0.000 0.903 84 Q CA -1.012 54.287 55.803 -0.841 0.000 0.768 84 Q CB 1.067 29.605 28.738 -0.334 0.000 1.472 84 Q HN -0.045 nan 8.270 nan 0.000 0.416 85 M N 1.383 120.966 119.600 -0.029 0.000 2.255 85 M HA 0.448 4.928 4.480 -0.000 0.000 0.336 85 M C -0.646 175.507 176.300 -0.245 0.000 1.135 85 M CA -0.298 54.995 55.300 -0.012 0.000 1.145 85 M CB 0.430 33.082 32.600 0.087 0.000 1.473 85 M HN 0.626 nan 8.290 nan 0.000 0.462 86 L N 4.123 125.184 121.223 -0.270 0.000 2.298 86 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 86 L C -0.477 176.370 176.870 -0.039 0.000 1.013 86 L CA -0.342 54.196 54.840 -0.503 0.000 0.824 86 L CB 0.815 42.632 42.059 -0.402 0.000 1.221 86 L HN 0.581 nan 8.230 nan 0.000 0.418 87 L N 1.252 122.581 121.223 0.176 0.000 2.293 87 L HA 0.670 5.009 4.340 -0.000 0.000 0.264 87 L C 0.664 177.726 176.870 0.320 0.000 1.029 87 L CA -0.832 54.151 54.840 0.239 0.000 0.897 87 L CB 1.811 43.987 42.059 0.194 0.000 1.497 87 L HN 0.535 nan 8.230 nan 0.000 0.495 88 T N -2.808 111.890 114.554 0.240 0.000 2.881 88 T HA 0.442 4.792 4.350 -0.000 0.000 0.278 88 T C 0.999 175.792 174.700 0.156 0.000 0.982 88 T CA -0.091 62.140 62.100 0.218 0.000 0.989 88 T CB 1.514 70.523 68.868 0.235 0.000 1.058 88 T HN 0.624 nan 8.240 nan 0.000 0.529 89 A N 0.885 123.772 122.820 0.112 0.000 1.917 89 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 89 A C 1.271 178.897 177.584 0.069 0.000 1.182 89 A CA 1.546 53.620 52.037 0.061 0.000 0.633 89 A CB -0.899 18.129 19.000 0.046 0.000 0.819 89 A HN 0.977 nan 8.150 nan 0.000 0.448 90 Q N -1.519 118.333 119.800 0.087 0.000 2.399 90 Q HA 0.526 4.866 4.340 -0.000 0.000 0.276 90 Q C -0.974 175.074 176.000 0.081 0.000 1.098 90 Q CA -1.016 54.833 55.803 0.078 0.000 0.827 90 Q CB 0.767 29.553 28.738 0.080 0.000 1.386 90 Q HN 0.156 nan 8.270 nan 0.000 0.443 91 N N 1.549 120.290 118.700 0.068 0.000 2.415 91 N HA 0.119 4.859 4.740 -0.000 0.000 0.250 91 N C 0.330 175.877 175.510 0.062 0.000 1.127 91 N CA -0.050 53.036 53.050 0.061 0.000 0.945 91 N CB 0.373 38.890 38.487 0.049 0.000 1.196 91 N HN 0.807 nan 8.380 nan 0.000 0.499 92 L N 4.470 125.722 121.223 0.048 0.000 2.043 92 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 92 L C -0.673 176.261 176.870 0.106 0.000 1.075 92 L CA 1.228 56.111 54.840 0.072 0.000 0.752 92 L CB -1.139 40.848 42.059 -0.119 0.000 0.891 92 L HN 0.521 nan 8.230 nan 0.000 0.432 93 P HA -0.141 nan 4.420 nan 0.000 0.226 93 P C 1.063 178.366 177.300 0.006 0.000 1.146 93 P CA 1.304 64.417 63.100 0.021 0.000 0.773 93 P CB 0.010 31.714 31.700 0.007 0.000 0.772 94 A N -1.471 121.355 122.820 0.011 0.000 2.123 94 A HA 0.052 4.372 4.320 -0.000 0.000 0.214 94 A C 1.991 179.537 177.584 -0.063 0.000 1.152 94 A CA 1.321 53.347 52.037 -0.018 0.000 0.728 94 A CB -0.470 18.526 19.000 -0.006 0.000 0.814 94 A HN 0.113 nan 8.150 nan 0.000 0.464 95 S N -2.451 113.195 115.700 -0.089 0.000 2.593 95 S HA 0.347 4.817 4.470 -0.000 0.000 0.235 95 S C -0.407 173.857 174.600 -0.560 0.000 1.059 95 S CA -0.209 57.795 58.200 -0.327 0.000 0.953 95 S CB 0.121 63.067 63.200 -0.424 0.000 0.897 95 S HN 0.501 nan 8.310 nan 0.000 0.507 96 Y N 0.914 121.196 120.300 -0.029 0.000 2.570 96 Y HA 0.523 5.072 4.550 -0.000 0.000 0.345 96 Y C 0.700 176.567 175.900 -0.055 0.000 1.014 96 Y CA -1.096 56.993 58.100 -0.019 0.000 1.063 96 Y CB 0.999 39.452 38.460 -0.013 0.000 1.272 96 Y HN -0.155 nan 8.280 nan 0.000 0.477 97 N N -0.277 118.483 118.700 0.101 0.000 2.348 97 N HA 0.103 4.843 4.740 -0.000 0.000 0.183 97 N C -1.283 174.025 175.510 -0.336 0.000 1.094 97 N CA 0.384 53.348 53.050 -0.143 0.000 0.885 97 N CB 0.535 38.923 38.487 -0.166 0.000 1.065 97 N HN 0.527 nan 8.380 nan 0.000 0.472 98 Y N -1.002 119.370 120.300 0.121 0.000 2.524 98 Y HA 0.537 5.087 4.550 -0.000 0.000 0.347 98 Y C -0.277 175.738 175.900 0.191 0.000 1.005 98 Y CA -1.166 57.022 58.100 0.146 0.000 1.025 98 Y CB 2.121 40.685 38.460 0.173 0.000 1.275 98 Y HN -0.151 nan 8.280 nan 0.000 0.460 99 C N 2.674 122.161 119.300 0.310 0.000 3.239 99 C HA 0.868 5.328 4.460 -0.000 0.000 0.317 99 C C -1.587 173.365 174.990 -0.062 0.000 1.310 99 C CA -0.702 58.380 59.018 0.107 0.000 1.371 99 C CB 1.925 29.634 27.740 -0.051 0.000 1.714 99 C HN 1.032 nan 8.230 nan 0.000 0.473 100 R N 2.533 122.976 120.500 -0.095 0.000 2.584 100 R HA 0.677 5.017 4.340 -0.000 0.000 0.276 100 R C -1.741 174.615 176.300 0.093 0.000 1.046 100 R CA -0.627 55.384 56.100 -0.148 0.000 0.906 100 R CB 1.672 31.642 30.300 -0.551 0.000 1.215 100 R HN 0.781 nan 8.270 nan 0.000 0.449 101 L N 4.699 125.998 121.223 0.127 0.000 2.319 101 L HA 0.245 4.585 4.340 -0.000 0.000 0.280 101 L C 0.049 176.950 176.870 0.052 0.000 1.099 101 L CA 0.406 55.293 54.840 0.079 0.000 0.828 101 L CB 1.635 43.736 42.059 0.069 0.000 1.150 101 L HN 0.645 nan 8.230 nan 0.000 0.442 102 V N 2.633 122.543 119.914 -0.007 0.000 2.581 102 V HA 0.263 4.383 4.120 -0.000 0.000 0.240 102 V C 0.576 176.728 176.094 0.097 0.000 1.054 102 V CA 1.163 63.530 62.300 0.112 0.000 1.076 102 V CB 0.169 32.054 31.823 0.104 0.000 0.748 102 V HN 0.945 nan 8.190 nan 0.000 0.474 103 S N -0.336 115.327 115.700 -0.061 0.000 2.595 103 S HA 0.752 5.222 4.470 -0.000 0.000 0.270 103 S C -0.909 173.601 174.600 -0.150 0.000 1.145 103 S CA -0.900 57.253 58.200 -0.078 0.000 0.825 103 S CB 2.796 65.938 63.200 -0.096 0.000 1.107 103 S HN 0.476 nan 8.310 nan 0.000 0.461 104 R N 0.232 120.659 120.500 -0.121 0.000 2.604 104 R HA 0.678 5.018 4.340 -0.000 0.000 0.261 104 R C -1.813 174.403 176.300 -0.139 0.000 1.080 104 R CA -0.004 56.012 56.100 -0.139 0.000 0.917 104 R CB 1.614 31.836 30.300 -0.131 0.000 1.252 104 R HN 1.349 nan 8.270 nan 0.000 0.456 105 S N 3.506 119.113 115.700 -0.155 0.000 2.556 105 S HA 0.796 5.266 4.470 -0.000 0.000 0.271 105 S C -1.257 173.212 174.600 -0.218 0.000 1.135 105 S CA -0.859 57.215 58.200 -0.211 0.000 0.858 105 S CB 1.746 64.804 63.200 -0.237 0.000 1.114 105 S HN 0.441 nan 8.310 nan 0.000 0.468 106 L N 1.469 122.518 121.223 -0.291 0.000 2.434 106 L HA 0.785 5.125 4.340 -0.000 0.000 0.260 106 L C -0.346 176.386 176.870 -0.229 0.000 0.983 106 L CA -0.695 53.982 54.840 -0.271 0.000 0.820 106 L CB 2.775 44.543 42.059 -0.485 0.000 1.361 106 L HN 0.999 nan 8.230 nan 0.000 0.410 107 T N -1.066 113.418 114.554 -0.116 0.000 2.887 107 T HA 0.839 5.189 4.350 -0.000 0.000 0.288 107 T C -0.760 173.944 174.700 0.007 0.000 1.021 107 T CA -0.846 61.215 62.100 -0.065 0.000 1.000 107 T CB 2.051 70.894 68.868 -0.041 0.000 1.034 107 T HN 0.243 nan 8.240 nan 0.000 0.467 108 V N 3.366 123.304 119.914 0.041 0.000 2.443 108 V HA 0.768 4.888 4.120 -0.000 0.000 0.293 108 V C -0.144 175.979 176.094 0.048 0.000 1.021 108 V CA -0.865 61.481 62.300 0.078 0.000 0.848 108 V CB 1.239 33.155 31.823 0.154 0.000 0.998 108 V HN 1.164 nan 8.190 nan 0.000 0.424 109 R N 2.383 122.894 120.500 0.018 0.000 2.710 109 R HA 0.704 5.044 4.340 -0.000 0.000 0.270 109 R C -0.740 175.543 176.300 -0.029 0.000 1.021 109 R CA -0.607 55.495 56.100 0.004 0.000 0.889 109 R CB 1.887 32.195 30.300 0.014 0.000 1.243 109 R HN 0.598 nan 8.270 nan 0.000 0.464 110 S N 0.258 115.936 115.700 -0.037 0.000 2.584 110 S HA 0.245 4.715 4.470 -0.000 0.000 0.273 110 S C 0.456 175.038 174.600 -0.030 0.000 1.311 110 S CA -0.067 58.099 58.200 -0.056 0.000 1.034 110 S CB 1.356 64.519 63.200 -0.061 0.000 0.939 110 S HN 0.820 nan 8.310 nan 0.000 0.513 111 S N 0.109 115.790 115.700 -0.032 0.000 2.847 111 S HA 0.353 4.823 4.470 -0.000 0.000 0.254 111 S C 0.173 174.764 174.600 -0.015 0.000 1.039 111 S CA -0.417 57.773 58.200 -0.017 0.000 1.113 111 S CB 0.179 63.369 63.200 -0.016 0.000 1.092 111 S HN 0.728 nan 8.310 nan 0.000 0.620 112 T N 1.388 115.930 114.554 -0.021 0.000 2.864 112 T HA 0.692 5.042 4.350 -0.000 0.000 0.299 112 T C -2.112 172.577 174.700 -0.018 0.000 1.166 112 T CA -0.547 61.543 62.100 -0.017 0.000 1.007 112 T CB 1.731 70.587 68.868 -0.021 0.000 1.219 112 T HN 0.271 nan 8.240 nan 0.000 0.506 113 L N 3.837 125.052 121.223 -0.013 0.000 2.446 113 L HA 0.443 4.783 4.340 -0.000 0.000 0.268 113 L C -2.029 174.824 176.870 -0.028 0.000 0.975 113 L CA -1.685 53.143 54.840 -0.019 0.000 0.848 113 L CB 2.311 44.368 42.059 -0.003 0.000 1.225 113 L HN 0.498 nan 8.230 nan 0.000 0.410 114 P HA 0.073 nan 4.420 nan 0.000 0.269 114 P C 0.154 177.410 177.300 -0.074 0.000 1.217 114 P CA -0.186 62.885 63.100 -0.048 0.000 0.783 114 P CB 0.685 32.354 31.700 -0.051 0.000 0.898 115 G N -0.471 108.294 108.800 -0.057 0.000 2.614 115 G HA2 0.338 4.298 3.960 -0.000 0.000 0.239 115 G HA3 0.338 4.298 3.960 -0.000 0.000 0.239 115 G C 0.996 175.796 174.900 -0.168 0.000 1.240 115 G CA 0.248 45.309 45.100 -0.065 0.000 0.842 115 G HN 0.881 nan 8.290 nan 0.000 0.584 116 G N -0.694 107.943 108.800 -0.272 0.000 2.900 116 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.223 116 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.223 116 G C 0.893 175.143 174.900 -1.083 0.000 1.293 116 G CA 0.983 45.785 45.100 -0.496 0.000 0.792 116 G HN 2.258 nan 8.290 nan 0.000 0.527 117 V N -0.148 119.387 119.914 -0.631 0.000 2.508 117 V HA 0.695 4.815 4.120 -0.000 0.000 0.281 117 V C 0.942 176.689 176.094 -0.579 0.000 1.041 117 V CA 0.467 62.461 62.300 -0.511 0.000 1.016 117 V CB 0.777 32.468 31.823 -0.220 0.000 0.984 117 V HN 0.535 nan 8.190 nan 0.000 0.478 118 Y N 3.873 124.174 120.300 0.002 0.000 2.430 118 Y HA 0.664 5.214 4.550 -0.000 0.000 0.248 118 Y C 1.327 177.228 175.900 0.003 0.000 1.108 118 Y CA 0.171 58.273 58.100 0.002 0.000 1.264 118 Y CB 0.414 38.875 38.460 0.002 0.000 1.172 118 Y HN 0.845 nan 8.280 nan 0.000 0.520 119 A N 1.306 124.181 122.820 0.091 0.000 2.292 119 A HA 0.514 4.834 4.320 -0.000 0.000 0.319 119 A C -0.693 176.907 177.584 0.028 0.000 1.206 119 A CA -0.559 51.516 52.037 0.063 0.000 0.835 119 A CB 0.534 19.566 19.000 0.054 0.000 1.164 119 A HN 0.202 nan 8.150 nan 0.000 0.505 120 L N 2.132 123.372 121.223 0.030 0.000 2.467 120 L HA 0.357 4.697 4.340 -0.000 0.000 0.270 120 L C 0.183 177.062 176.870 0.015 0.000 1.205 120 L CA 0.687 55.538 54.840 0.018 0.000 0.828 120 L CB 0.072 42.145 42.059 0.023 0.000 1.101 120 L HN 0.882 nan 8.230 nan 0.000 0.479 121 N N 1.214 119.919 118.700 0.009 0.000 2.636 121 N HA 0.643 5.383 4.740 -0.000 0.000 0.261 121 N C -1.241 174.278 175.510 0.015 0.000 1.195 121 N CA -0.189 52.868 53.050 0.011 0.000 0.902 121 N CB 1.603 40.092 38.487 0.003 0.000 1.627 121 N HN 1.043 nan 8.380 nan 0.000 0.491 122 G N 0.427 109.242 108.800 0.024 0.000 2.484 122 G HA2 0.210 4.170 3.960 -0.000 0.000 0.685 122 G HA3 0.210 4.170 3.960 -0.000 0.000 0.685 122 G C -1.059 173.883 174.900 0.071 0.000 1.294 122 G CA -0.418 44.707 45.100 0.041 0.000 0.879 122 G HN 0.704 nan 8.290 nan 0.000 0.646 123 T N -1.752 112.867 114.554 0.108 0.000 2.883 123 T HA 0.805 5.155 4.350 -0.000 0.000 0.301 123 T C -0.447 174.452 174.700 0.330 0.000 1.158 123 T CA -0.837 61.373 62.100 0.184 0.000 1.007 123 T CB 2.168 71.152 68.868 0.193 0.000 1.186 123 T HN 1.019 nan 8.240 nan 0.000 0.499 124 I N 1.826 122.586 120.570 0.316 0.000 2.569 124 I HA 0.506 4.676 4.170 -0.000 0.000 0.296 124 I C -0.825 175.389 176.117 0.161 0.000 1.028 124 I CA -1.016 60.474 61.300 0.316 0.000 1.082 124 I CB 2.187 40.315 38.000 0.212 0.000 1.264 124 I HN 0.570 nan 8.210 nan 0.000 0.429 125 N N 3.864 122.540 118.700 -0.041 0.000 2.284 125 N HA 0.821 5.561 4.740 -0.000 0.000 0.300 125 N C -1.271 174.169 175.510 -0.116 0.000 1.047 125 N CA -0.492 52.407 53.050 -0.251 0.000 0.821 125 N CB 2.361 40.406 38.487 -0.736 0.000 1.337 125 N HN 0.710 nan 8.380 nan 0.000 0.482 126 A N 0.724 123.501 122.820 -0.071 0.000 2.515 126 A HA 0.794 5.114 4.320 -0.000 0.000 0.298 126 A C -1.388 176.173 177.584 -0.038 0.000 1.059 126 A CA -0.673 51.350 52.037 -0.023 0.000 0.698 126 A CB 1.500 20.519 19.000 0.032 0.000 1.289 126 A HN 0.432 nan 8.150 nan 0.000 0.404 127 V N 0.855 120.756 119.914 -0.022 0.000 3.048 127 V HA 0.739 4.859 4.120 -0.000 0.000 0.303 127 V C -0.976 175.132 176.094 0.024 0.000 1.214 127 V CA -0.200 62.090 62.300 -0.015 0.000 0.984 127 V CB 2.575 34.382 31.823 -0.028 0.000 1.054 127 V HN 1.032 nan 8.190 nan 0.000 0.430 128 T N 6.584 121.157 114.554 0.032 0.000 2.756 128 T HA 0.495 4.845 4.350 -0.000 0.000 0.290 128 T C -0.889 173.889 174.700 0.131 0.000 0.985 128 T CA 0.057 62.194 62.100 0.061 0.000 0.955 128 T CB 0.582 69.455 68.868 0.008 0.000 0.930 128 T HN 0.533 nan 8.240 nan 0.000 0.451 129 F N 2.817 122.752 119.950 -0.024 0.000 2.420 129 F HA 0.313 4.840 4.527 -0.000 0.000 0.342 129 F C 1.207 177.004 175.800 -0.005 0.000 1.113 129 F CA -0.920 57.070 58.000 -0.017 0.000 1.059 129 F CB 1.324 40.315 39.000 -0.015 0.000 1.128 129 F HN 0.503 nan 8.300 nan 0.000 0.475 130 Q N 3.890 123.363 119.800 -0.546 0.000 2.431 130 Q HA 0.171 4.511 4.340 -0.000 0.000 0.210 130 Q C 0.676 176.274 176.000 -0.669 0.000 0.958 130 Q CA 0.296 55.806 55.803 -0.488 0.000 0.957 130 Q CB 0.190 28.737 28.738 -0.317 0.000 1.007 130 Q HN 0.910 nan 8.270 nan 0.000 0.511 131 G N 0.113 108.168 108.800 -1.242 0.000 3.119 131 G HA2 0.430 4.389 3.960 -0.000 0.000 0.206 131 G HA3 0.430 4.389 3.960 -0.000 0.000 0.206 131 G C -0.597 174.287 174.900 -0.026 0.000 1.313 131 G CA -0.444 44.303 45.100 -0.588 0.000 1.010 131 G HN 0.216 nan 8.290 nan 0.000 0.578 132 S N -1.077 114.744 115.700 0.202 0.000 2.718 132 S HA 0.413 4.883 4.470 -0.000 0.000 0.300 132 S C 1.212 176.021 174.600 0.349 0.000 1.117 132 S CA -0.545 57.820 58.200 0.276 0.000 1.002 132 S CB 1.631 64.962 63.200 0.218 0.000 1.092 132 S HN 0.594 nan 8.310 nan 0.000 0.542 133 L N 2.013 123.394 121.223 0.263 0.000 2.010 133 L HA -0.186 4.154 4.340 -0.000 0.000 0.219 133 L C 2.560 179.512 176.870 0.135 0.000 1.077 133 L CA 2.873 57.795 54.840 0.137 0.000 0.773 133 L CB -1.486 40.609 42.059 0.061 0.000 0.892 133 L HN 1.031 nan 8.230 nan 0.000 0.436 134 S N -1.820 113.980 115.700 0.168 0.000 2.547 134 S HA -0.105 4.365 4.470 -0.000 0.000 0.235 134 S C 1.496 176.179 174.600 0.140 0.000 0.980 134 S CA 0.912 59.199 58.200 0.145 0.000 0.941 134 S CB -0.662 62.607 63.200 0.114 0.000 0.763 134 S HN 0.706 nan 8.310 nan 0.000 0.532 135 E N 0.533 120.861 120.200 0.215 0.000 2.442 135 E HA 0.214 4.564 4.350 -0.000 0.000 0.195 135 E C -0.071 176.633 176.600 0.174 0.000 1.030 135 E CA -0.195 56.363 56.400 0.263 0.000 0.869 135 E CB -0.087 29.844 29.700 0.386 0.000 0.857 135 E HN 0.534 nan 8.360 nan 0.000 0.505 136 L N 1.781 122.950 121.223 -0.090 0.000 2.490 136 L HA -0.030 4.310 4.340 -0.000 0.000 0.274 136 L C 1.763 178.537 176.870 -0.159 0.000 1.201 136 L CA 0.276 54.854 54.840 -0.436 0.000 0.869 136 L CB 0.691 42.459 42.059 -0.485 0.000 1.123 136 L HN 0.138 nan 8.230 nan 0.000 0.484 137 T N -2.834 111.629 114.554 -0.150 0.000 3.051 137 T HA 0.055 4.405 4.350 -0.000 0.000 0.255 137 T C 0.251 174.912 174.700 -0.064 0.000 1.085 137 T CA 0.020 62.084 62.100 -0.061 0.000 1.109 137 T CB 0.179 69.031 68.868 -0.026 0.000 0.921 137 T HN 0.537 nan 8.240 nan 0.000 0.488 138 D N 0.934 121.276 120.400 -0.096 0.000 2.891 138 D HA 0.263 4.903 4.640 -0.000 0.000 0.224 138 D C 0.082 176.346 176.300 -0.060 0.000 1.321 138 D CA -0.678 53.287 54.000 -0.059 0.000 0.929 138 D CB 2.235 43.006 40.800 -0.048 0.000 1.551 138 D HN 0.081 nan 8.370 nan 0.000 0.574 139 V N 1.570 121.488 119.914 0.005 0.000 3.121 139 V HA 0.338 4.458 4.120 -0.000 0.000 0.344 139 V C 0.689 176.862 176.094 0.130 0.000 1.390 139 V CA -0.058 62.276 62.300 0.056 0.000 1.177 139 V CB -0.548 31.370 31.823 0.158 0.000 1.163 139 V HN 0.448 nan 8.190 nan 0.000 0.484 140 S N -0.874 114.873 115.700 0.079 0.000 2.603 140 S HA 0.344 4.814 4.470 -0.000 0.000 0.268 140 S C 0.831 175.496 174.600 0.108 0.000 1.317 140 S CA 0.113 58.375 58.200 0.102 0.000 1.012 140 S CB 0.899 64.132 63.200 0.055 0.000 0.926 140 S HN 0.444 nan 8.310 nan 0.000 0.539 141 Y N 2.320 122.633 120.300 0.022 0.000 2.069 141 Y HA -0.274 4.276 4.550 -0.000 0.000 0.278 141 Y C 2.138 178.043 175.900 0.008 0.000 1.175 141 Y CA 2.594 60.702 58.100 0.014 0.000 1.134 141 Y CB -0.453 38.010 38.460 0.005 0.000 0.965 141 Y HN 0.714 nan 8.280 nan 0.000 0.498 142 N N -0.317 118.454 118.700 0.118 0.000 2.333 142 N HA -0.054 4.686 4.740 -0.000 0.000 0.178 142 N C 2.013 177.503 175.510 -0.035 0.000 1.018 142 N CA 1.058 54.118 53.050 0.016 0.000 0.882 142 N CB -0.704 37.845 38.487 0.104 0.000 0.984 142 N HN 0.538 nan 8.380 nan 0.000 0.434 143 G N 1.839 110.631 108.800 -0.014 0.000 2.450 143 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 143 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 143 G C 1.681 176.543 174.900 -0.063 0.000 1.130 143 G CA 0.291 45.372 45.100 -0.031 0.000 0.760 143 G HN 0.210 nan 8.290 nan 0.000 0.557 144 L N 0.101 121.270 121.223 -0.089 0.000 2.081 144 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 144 L C 2.825 179.638 176.870 -0.095 0.000 1.080 144 L CA 0.677 55.451 54.840 -0.111 0.000 0.754 144 L CB -0.388 41.590 42.059 -0.135 0.000 0.893 144 L HN 0.156 nan 8.230 nan 0.000 0.433 145 M N -0.931 118.609 119.600 -0.099 0.000 2.521 145 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 145 M C 1.826 178.100 176.300 -0.044 0.000 1.068 145 M CA 1.285 56.540 55.300 -0.076 0.000 1.060 145 M CB -1.149 31.407 32.600 -0.074 0.000 1.398 145 M HN 0.141 nan 8.290 nan 0.000 0.473 146 S N -0.522 115.156 115.700 -0.038 0.000 2.539 146 S HA 0.336 4.806 4.470 -0.000 0.000 0.221 146 S C 1.809 176.411 174.600 0.004 0.000 0.987 146 S CA 0.316 58.507 58.200 -0.016 0.000 0.929 146 S CB 0.173 63.365 63.200 -0.013 0.000 0.832 146 S HN 0.495 nan 8.310 nan 0.000 0.492 147 A N 1.568 124.385 122.820 -0.006 0.000 2.076 147 A HA 0.036 4.356 4.320 -0.000 0.000 0.220 147 A C 1.363 179.056 177.584 0.180 0.000 1.160 147 A CA 1.500 53.561 52.037 0.041 0.000 0.653 147 A CB -0.175 18.786 19.000 -0.064 0.000 0.801 147 A HN 0.421 nan 8.150 nan 0.000 0.455 148 T N -4.112 110.501 114.554 0.099 0.000 2.896 148 T HA 0.571 4.921 4.350 -0.000 0.000 0.297 148 T C 0.309 175.025 174.700 0.027 0.000 1.108 148 T CA 0.101 62.248 62.100 0.078 0.000 1.004 148 T CB 1.744 70.647 68.868 0.059 0.000 1.159 148 T HN 0.451 nan 8.240 nan 0.000 0.499 149 A N 2.405 125.231 122.820 0.010 0.000 2.303 149 A HA 0.335 4.655 4.320 -0.000 0.000 0.217 149 A C 0.601 178.172 177.584 -0.022 0.000 1.205 149 A CA -0.166 51.867 52.037 -0.006 0.000 0.875 149 A CB -0.162 18.835 19.000 -0.005 0.000 0.910 149 A HN 0.732 nan 8.150 nan 0.000 0.501 150 N N 0.906 119.589 118.700 -0.029 0.000 2.431 150 N HA 0.092 4.832 4.740 -0.000 0.000 0.265 150 N C 0.641 176.114 175.510 -0.062 0.000 1.184 150 N CA -0.226 52.795 53.050 -0.049 0.000 0.943 150 N CB 1.257 39.709 38.487 -0.059 0.000 1.080 150 N HN 0.194 nan 8.380 nan 0.000 0.477 151 I N 2.409 122.940 120.570 -0.066 0.000 2.361 151 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 151 I C 1.093 177.141 176.117 -0.115 0.000 1.133 151 I CA 1.268 62.522 61.300 -0.075 0.000 1.413 151 I CB -0.193 37.767 38.000 -0.065 0.000 1.073 151 I HN 0.401 nan 8.210 nan 0.000 0.424 152 N N 0.665 119.281 118.700 -0.141 0.000 2.434 152 N HA -0.024 4.716 4.740 -0.000 0.000 0.196 152 N C 0.209 175.583 175.510 -0.227 0.000 1.183 152 N CA 0.468 53.386 53.050 -0.220 0.000 0.849 152 N CB -0.051 38.292 38.487 -0.239 0.000 0.992 152 N HN 0.449 nan 8.380 nan 0.000 0.460 153 D N 0.334 120.644 120.400 -0.151 0.000 2.535 153 D HA 0.084 4.724 4.640 -0.000 0.000 0.229 153 D C 0.112 176.360 176.300 -0.087 0.000 1.238 153 D CA 0.172 54.101 54.000 -0.119 0.000 0.824 153 D CB 0.897 41.651 40.800 -0.077 0.000 1.045 153 D HN 0.404 nan 8.370 nan 0.000 0.500 154 K N -0.192 120.149 120.400 -0.099 0.000 2.512 154 K HA 0.691 5.011 4.320 -0.000 0.000 0.263 154 K C -1.424 175.129 176.600 -0.079 0.000 0.966 154 K CA -0.919 55.325 56.287 -0.073 0.000 0.851 154 K CB 2.700 35.166 32.500 -0.058 0.000 1.395 154 K HN -0.170 nan 8.250 nan 0.000 0.440 155 I N 0.405 120.940 120.570 -0.059 0.000 2.710 155 I HA 0.492 4.662 4.170 -0.000 0.000 0.290 155 I C -1.357 174.741 176.117 -0.032 0.000 1.318 155 I CA 0.049 61.327 61.300 -0.037 0.000 1.045 155 I CB 2.365 40.357 38.000 -0.014 0.000 1.307 155 I HN 0.885 nan 8.210 nan 0.000 0.424 156 G N 4.091 112.881 108.800 -0.016 0.000 2.495 156 G HA2 0.437 4.397 3.960 -0.000 0.000 0.318 156 G HA3 0.437 4.397 3.960 -0.000 0.000 0.318 156 G C -0.470 174.453 174.900 0.039 0.000 1.257 156 G CA -0.584 44.506 45.100 -0.017 0.000 0.962 156 G HN 0.659 nan 8.290 nan 0.000 0.483 157 N N -0.694 118.052 118.700 0.078 0.000 2.714 157 N HA -0.165 4.575 4.740 -0.000 0.000 0.252 157 N C 0.320 175.903 175.510 0.121 0.000 1.014 157 N CA 0.644 53.784 53.050 0.150 0.000 0.735 157 N CB -0.908 37.661 38.487 0.138 0.000 0.924 157 N HN 0.391 nan 8.380 nan 0.000 0.540 158 V N 0.996 120.980 119.914 0.116 0.000 2.686 158 V HA 0.125 4.245 4.120 -0.000 0.000 0.295 158 V C 1.320 177.481 176.094 0.111 0.000 1.055 158 V CA -0.582 61.780 62.300 0.104 0.000 1.050 158 V CB 1.210 33.093 31.823 0.101 0.000 0.984 158 V HN 0.173 nan 8.190 nan 0.000 0.482 159 L N 5.103 126.380 121.223 0.090 0.000 2.455 159 L HA 0.066 4.406 4.340 -0.000 0.000 0.272 159 L C 1.545 178.460 176.870 0.076 0.000 1.174 159 L CA 0.015 54.902 54.840 0.079 0.000 0.869 159 L CB 1.148 43.244 42.059 0.062 0.000 1.130 159 L HN 0.757 nan 8.230 nan 0.000 0.474 160 V N 0.966 120.923 119.914 0.072 0.000 2.568 160 V HA -0.157 3.963 4.120 -0.000 0.000 0.253 160 V C 2.079 178.191 176.094 0.030 0.000 1.072 160 V CA 1.860 64.192 62.300 0.052 0.000 1.084 160 V CB -1.248 30.589 31.823 0.023 0.000 0.676 160 V HN 1.003 nan 8.190 nan 0.000 0.469 161 G N -0.333 108.485 108.800 0.030 0.000 2.422 161 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.218 161 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.218 161 G C 1.434 176.352 174.900 0.031 0.000 1.140 161 G CA 0.821 45.935 45.100 0.023 0.000 0.775 161 G HN 0.574 nan 8.290 nan 0.000 0.545 162 E N -0.614 119.611 120.200 0.043 0.000 2.076 162 E HA 0.344 4.694 4.350 -0.000 0.000 0.190 162 E C 1.410 178.042 176.600 0.053 0.000 0.979 162 E CA 0.714 57.143 56.400 0.049 0.000 0.807 162 E CB 0.047 29.783 29.700 0.059 0.000 0.761 162 E HN 0.503 nan 8.360 nan 0.000 0.454 163 G N -0.102 108.733 108.800 0.059 0.000 2.746 163 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.685 163 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.685 163 G C -0.407 174.539 174.900 0.077 0.000 1.350 163 G CA -0.491 44.646 45.100 0.061 0.000 0.837 163 G HN 0.654 nan 8.290 nan 0.000 0.564 164 V N -2.679 117.281 119.914 0.076 0.000 2.864 164 V HA 0.983 5.103 4.120 -0.000 0.000 0.314 164 V C 0.195 176.309 176.094 0.033 0.000 1.073 164 V CA -0.122 62.228 62.300 0.083 0.000 0.956 164 V CB 2.064 33.946 31.823 0.098 0.000 1.023 164 V HN 1.424 nan 8.190 nan 0.000 0.435 165 T N 2.704 117.267 114.554 0.016 0.000 2.807 165 T HA 0.623 4.973 4.350 -0.000 0.000 0.279 165 T C -0.497 174.146 174.700 -0.094 0.000 0.993 165 T CA -0.360 61.656 62.100 -0.139 0.000 0.970 165 T CB 1.560 70.184 68.868 -0.406 0.000 0.950 165 T HN 0.724 nan 8.240 nan 0.000 0.441 166 V N 4.531 124.330 119.914 -0.192 0.000 2.370 166 V HA 0.489 4.609 4.120 -0.000 0.000 0.279 166 V C -0.398 175.572 176.094 -0.207 0.000 1.029 166 V CA -0.735 61.459 62.300 -0.177 0.000 0.870 166 V CB 1.160 32.776 31.823 -0.345 0.000 0.984 166 V HN 0.648 nan 8.190 nan 0.000 0.451 167 L N 4.804 125.973 121.223 -0.090 0.000 2.333 167 L HA 0.605 4.945 4.340 -0.000 0.000 0.280 167 L C 0.183 177.022 176.870 -0.051 0.000 1.004 167 L CA 0.303 55.091 54.840 -0.087 0.000 0.820 167 L CB 2.056 44.148 42.059 0.054 0.000 1.247 167 L HN 0.596 nan 8.230 nan 0.000 0.416 168 S N 5.556 121.217 115.700 -0.064 0.000 2.448 168 S HA 0.566 5.036 4.470 -0.000 0.000 0.279 168 S C -0.445 174.146 174.600 -0.015 0.000 1.195 168 S CA -0.497 57.681 58.200 -0.037 0.000 1.051 168 S CB -0.276 62.901 63.200 -0.038 0.000 0.948 168 S HN 0.583 nan 8.310 nan 0.000 0.493 169 L N 6.891 128.102 121.223 -0.019 0.000 2.325 169 L HA 0.535 4.875 4.340 -0.000 0.000 0.278 169 L C -1.698 175.139 176.870 -0.054 0.000 1.023 169 L CA -2.326 52.504 54.840 -0.016 0.000 0.811 169 L CB 1.473 43.516 42.059 -0.027 0.000 1.249 169 L HN 0.525 nan 8.230 nan 0.000 0.431 170 P HA -0.013 nan 4.420 nan 0.000 0.265 170 P C -0.291 176.856 177.300 -0.254 0.000 1.187 170 P CA 0.005 62.944 63.100 -0.270 0.000 0.766 170 P CB 0.476 31.808 31.700 -0.614 0.000 0.820 171 T N -1.793 112.595 114.554 -0.276 0.000 3.466 171 T HA 0.477 4.827 4.350 -0.000 0.000 0.297 171 T C -0.203 174.329 174.700 -0.280 0.000 1.640 171 T CA -0.556 61.412 62.100 -0.219 0.000 1.631 171 T CB -0.848 67.928 68.868 -0.154 0.000 0.928 171 T HN 0.700 nan 8.240 nan 0.000 0.688 172 S N 0.454 115.945 115.700 -0.350 0.000 2.922 172 S HA -0.069 4.401 4.470 -0.000 0.000 0.854 172 S C -1.119 173.224 174.600 -0.428 0.000 0.921 172 S CA -0.760 57.250 58.200 -0.317 0.000 1.418 172 S CB -0.906 62.160 63.200 -0.224 0.000 1.015 172 S HN 0.699 nan 8.310 nan 0.000 0.230 173 Y N 1.501 121.761 120.300 -0.066 0.000 2.730 173 Y HA 0.495 5.044 4.550 -0.000 0.000 0.325 173 Y C 1.047 176.904 175.900 -0.072 0.000 1.132 173 Y CA -0.280 57.778 58.100 -0.069 0.000 1.206 173 Y CB 0.772 39.193 38.460 -0.065 0.000 1.390 173 Y HN 0.819 nan 8.280 nan 0.000 0.555 174 D N 0.678 121.164 120.400 0.144 0.000 2.870 174 D HA -0.179 4.461 4.640 -0.000 0.000 0.228 174 D C -1.038 175.283 176.300 0.035 0.000 1.147 174 D CA 0.747 54.784 54.000 0.061 0.000 0.757 174 D CB -1.108 39.719 40.800 0.044 0.000 1.091 174 D HN 0.267 nan 8.370 nan 0.000 0.429 175 L N -0.100 121.137 121.223 0.024 0.000 2.418 175 L HA 0.476 4.816 4.340 -0.000 0.000 0.265 175 L C 1.806 178.738 176.870 0.103 0.000 1.143 175 L CA -0.082 54.752 54.840 -0.009 0.000 0.809 175 L CB 0.862 42.853 42.059 -0.114 0.000 1.124 175 L HN 0.031 nan 8.230 nan 0.000 0.456 176 G N 0.054 108.981 108.800 0.213 0.000 2.562 176 G HA2 0.269 4.229 3.960 -0.000 0.000 0.275 176 G HA3 0.269 4.229 3.960 -0.000 0.000 0.275 176 G C -0.987 174.046 174.900 0.221 0.000 1.196 176 G CA -0.363 44.877 45.100 0.232 0.000 0.908 176 G HN 0.316 nan 8.290 nan 0.000 0.524 177 Y N -1.044 119.306 120.300 0.083 0.000 2.480 177 Y HA 0.299 4.849 4.550 -0.000 0.000 0.338 177 Y C 0.840 176.777 175.900 0.063 0.000 1.220 177 Y CA 0.179 58.319 58.100 0.068 0.000 1.430 177 Y CB 1.166 39.630 38.460 0.007 0.000 1.311 177 Y HN 0.142 nan 8.280 nan 0.000 0.575 178 V N 4.187 124.150 119.914 0.082 0.000 2.513 178 V HA 0.389 4.509 4.120 -0.000 0.000 0.299 178 V C -0.162 175.962 176.094 0.050 0.000 1.035 178 V CA -1.248 60.987 62.300 -0.108 0.000 0.889 178 V CB 1.623 33.134 31.823 -0.519 0.000 0.988 178 V HN 0.569 nan 8.190 nan 0.000 0.440 179 R N 2.859 123.345 120.500 -0.023 0.000 2.491 179 R HA 0.262 4.602 4.340 -0.000 0.000 0.283 179 R C 0.643 176.817 176.300 -0.209 0.000 1.072 179 R CA 0.192 56.123 56.100 -0.282 0.000 1.048 179 R CB 0.279 30.427 30.300 -0.254 0.000 0.983 179 R HN 0.717 nan 8.270 nan 0.000 0.450 180 L N 3.454 124.545 121.223 -0.219 0.000 2.552 180 L HA 0.178 4.517 4.340 -0.000 0.000 0.227 180 L C 1.093 177.921 176.870 -0.070 0.000 1.146 180 L CA 0.744 55.516 54.840 -0.114 0.000 0.858 180 L CB -0.102 41.912 42.059 -0.075 0.000 0.969 180 L HN 1.101 nan 8.230 nan 0.000 0.451 181 G N 0.938 109.682 108.800 -0.093 0.000 2.171 181 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.238 181 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.238 181 G C -0.065 174.806 174.900 -0.048 0.000 1.039 181 G CA 0.188 45.257 45.100 -0.051 0.000 0.759 181 G HN 0.538 nan 8.290 nan 0.000 0.501 182 D N 0.270 120.623 120.400 -0.078 0.000 2.362 182 D HA 0.383 5.023 4.640 -0.000 0.000 0.242 182 D C -2.117 174.150 176.300 -0.055 0.000 1.132 182 D CA -1.365 52.596 54.000 -0.064 0.000 0.907 182 D CB 1.444 42.191 40.800 -0.089 0.000 1.195 182 D HN 0.249 nan 8.370 nan 0.000 0.429 183 P HA 0.200 nan 4.420 nan 0.000 0.275 183 P C -0.035 177.242 177.300 -0.038 0.000 1.228 183 P CA -0.408 62.672 63.100 -0.033 0.000 0.786 183 P CB 1.059 32.744 31.700 -0.025 0.000 0.927 184 I N -0.438 120.112 120.570 -0.033 0.000 2.707 184 I HA 0.628 4.798 4.170 -0.000 0.000 0.309 184 I C -2.570 173.533 176.117 -0.023 0.000 1.001 184 I CA -3.406 57.875 61.300 -0.031 0.000 1.129 184 I CB 1.125 39.107 38.000 -0.031 0.000 1.308 184 I HN 0.049 nan 8.210 nan 0.000 0.466 185 P HA 0.402 nan 4.420 nan 0.000 0.267 185 P C -0.966 176.325 177.300 -0.015 0.000 1.209 185 P CA 0.088 63.178 63.100 -0.017 0.000 0.763 185 P CB 0.813 32.505 31.700 -0.015 0.000 0.816 186 A N 3.163 125.975 122.820 -0.013 0.000 2.608 186 A HA 0.768 5.088 4.320 -0.000 0.000 0.292 186 A C -1.254 176.324 177.584 -0.010 0.000 1.066 186 A CA -0.632 51.398 52.037 -0.011 0.000 0.676 186 A CB 1.049 20.042 19.000 -0.012 0.000 1.277 186 A HN 0.535 nan 8.150 nan 0.000 0.413 187 I N -1.353 119.212 120.570 -0.008 0.000 2.686 187 I HA 0.952 5.122 4.170 -0.000 0.000 0.295 187 I C -0.018 176.095 176.117 -0.006 0.000 1.114 187 I CA -0.810 60.485 61.300 -0.007 0.000 1.038 187 I CB 2.361 40.357 38.000 -0.006 0.000 1.238 187 I HN 1.080 nan 8.210 nan 0.000 0.420 188 G N 3.787 112.583 108.800 -0.006 0.000 2.692 188 G HA2 0.479 4.439 3.960 -0.000 0.000 0.291 188 G HA3 0.479 4.439 3.960 -0.000 0.000 0.291 188 G C -0.081 174.816 174.900 -0.005 0.000 1.423 188 G CA -0.916 44.180 45.100 -0.005 0.000 0.843 188 G HN 0.712 nan 8.290 nan 0.000 0.486 189 L N -0.457 120.764 121.223 -0.005 0.000 2.141 189 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 189 L C 0.867 177.735 176.870 -0.004 0.000 1.094 189 L CA 0.691 55.528 54.840 -0.004 0.000 0.763 189 L CB -0.007 42.050 42.059 -0.004 0.000 0.908 189 L HN 0.368 nan 8.230 nan 0.000 0.437 190 D N -0.041 120.357 120.400 -0.004 0.000 2.312 190 D HA 0.105 4.745 4.640 -0.000 0.000 0.252 190 D C -1.670 174.628 176.300 -0.003 0.000 1.150 190 D CA -1.979 52.018 54.000 -0.004 0.000 0.870 190 D CB 1.791 42.588 40.800 -0.004 0.000 1.153 190 D HN -0.126 nan 8.370 nan 0.000 0.457 191 P HA -0.010 nan 4.420 nan 0.000 0.221 191 P C 0.450 177.749 177.300 -0.002 0.000 1.150 191 P CA 0.912 64.011 63.100 -0.002 0.000 0.800 191 P CB 0.284 31.984 31.700 -0.001 0.000 0.787 192 K N -1.092 119.308 120.400 -0.001 0.000 2.505 192 K HA 0.118 4.438 4.320 -0.000 0.000 0.192 192 K C 0.927 177.526 176.600 -0.002 0.000 1.025 192 K CA -0.118 56.169 56.287 -0.001 0.000 1.086 192 K CB -0.233 32.267 32.500 -0.000 0.000 0.840 192 K HN 0.237 nan 8.250 nan 0.000 0.514 193 M N 2.018 121.616 119.600 -0.003 0.000 2.245 193 M HA 0.043 4.523 4.480 -0.000 0.000 0.344 193 M C -0.874 175.424 176.300 -0.004 0.000 1.170 193 M CA 0.602 55.899 55.300 -0.004 0.000 1.135 193 M CB 0.648 33.246 32.600 -0.005 0.000 1.574 193 M HN -0.198 nan 8.290 nan 0.000 0.452 194 V N 4.083 123.994 119.914 -0.004 0.000 2.760 194 V HA 0.789 4.909 4.120 -0.000 0.000 0.309 194 V C -0.748 175.341 176.094 -0.008 0.000 1.077 194 V CA -0.856 61.441 62.300 -0.005 0.000 0.910 194 V CB 1.757 33.578 31.823 -0.002 0.000 1.008 194 V HN 0.961 nan 8.190 nan 0.000 0.424 195 A N 3.067 125.880 122.820 -0.012 0.000 2.385 195 A HA 0.902 5.222 4.320 -0.000 0.000 0.290 195 A C -0.246 177.325 177.584 -0.022 0.000 1.094 195 A CA -0.285 51.742 52.037 -0.016 0.000 0.729 195 A CB 1.614 20.604 19.000 -0.016 0.000 1.194 195 A HN 0.965 nan 8.150 nan 0.000 0.442 196 T N -1.927 112.611 114.554 -0.027 0.000 2.887 196 T HA 0.593 4.943 4.350 -0.000 0.000 0.292 196 T C -0.591 174.078 174.700 -0.052 0.000 1.087 196 T CA -0.765 61.313 62.100 -0.037 0.000 1.009 196 T CB 1.425 70.276 68.868 -0.030 0.000 1.203 196 T HN 1.083 nan 8.240 nan 0.000 0.518 197 C N 2.494 121.753 119.300 -0.069 0.000 2.251 197 C HA 0.607 5.067 4.460 -0.000 0.000 0.323 197 C C -0.582 174.349 174.990 -0.098 0.000 1.241 197 C CA -0.465 58.501 59.018 -0.087 0.000 1.601 197 C CB -1.488 26.188 27.740 -0.107 0.000 2.251 197 C HN 0.858 nan 8.230 nan 0.000 0.488 198 D N 2.907 123.255 120.400 -0.088 0.000 2.340 198 D HA 0.286 4.926 4.640 -0.000 0.000 0.251 198 D C 0.025 176.286 176.300 -0.065 0.000 1.080 198 D CA 0.015 53.975 54.000 -0.067 0.000 0.971 198 D CB 1.204 41.978 40.800 -0.045 0.000 1.137 198 D HN 0.523 nan 8.370 nan 0.000 0.475 199 S N -0.200 115.474 115.700 -0.043 0.000 2.515 199 S HA 0.190 4.660 4.470 -0.000 0.000 0.285 199 S C 0.983 175.587 174.600 0.005 0.000 1.265 199 S CA -0.234 57.930 58.200 -0.060 0.000 1.079 199 S CB 0.295 63.443 63.200 -0.087 0.000 0.877 199 S HN 0.518 nan 8.310 nan 0.000 0.493 200 S N 1.166 116.870 115.700 0.007 0.000 2.918 200 S HA 0.122 4.592 4.470 -0.000 0.000 0.264 200 S C -0.377 174.265 174.600 0.071 0.000 1.078 200 S CA -0.533 57.700 58.200 0.055 0.000 0.918 200 S CB -0.392 62.810 63.200 0.005 0.000 0.882 200 S HN 0.565 nan 8.310 nan 0.000 0.466 201 D N 2.702 123.138 120.400 0.060 0.000 2.506 201 D HA 0.345 4.985 4.640 -0.000 0.000 0.234 201 D C 0.112 176.479 176.300 0.111 0.000 1.143 201 D CA 0.599 54.651 54.000 0.087 0.000 0.871 201 D CB -0.064 40.801 40.800 0.109 0.000 1.190 201 D HN 0.287 nan 8.370 nan 0.000 0.459 202 R N -0.517 120.041 120.500 0.096 0.000 3.201 202 R HA -0.112 4.228 4.340 -0.000 0.000 0.254 202 R C -2.393 173.944 176.300 0.063 0.000 0.978 202 R CA -0.044 56.105 56.100 0.083 0.000 0.661 202 R CB -1.344 29.032 30.300 0.127 0.000 1.170 202 R HN 0.457 nan 8.270 nan 0.000 0.430 203 P HA 0.021 nan 4.420 nan 0.000 0.274 203 P C -0.724 176.556 177.300 -0.033 0.000 1.237 203 P CA -0.112 63.003 63.100 0.026 0.000 0.793 203 P CB 0.774 32.502 31.700 0.048 0.000 0.977 204 R N 1.219 121.672 120.500 -0.079 0.000 2.474 204 R HA 0.548 4.888 4.340 -0.000 0.000 0.295 204 R C -1.407 174.762 176.300 -0.218 0.000 0.980 204 R CA -0.730 55.263 56.100 -0.179 0.000 0.934 204 R CB 0.973 31.139 30.300 -0.223 0.000 1.101 204 R HN 0.265 nan 8.270 nan 0.000 0.469 205 V N 5.100 124.850 119.914 -0.273 0.000 2.525 205 V HA 0.367 4.487 4.120 -0.000 0.000 0.299 205 V C -1.348 174.605 176.094 -0.236 0.000 1.034 205 V CA -0.709 61.477 62.300 -0.191 0.000 0.863 205 V CB 1.477 33.244 31.823 -0.093 0.000 0.999 205 V HN 0.703 nan 8.190 nan 0.000 0.423 206 Y N 1.724 121.997 120.300 -0.045 0.000 2.341 206 Y HA 0.606 5.156 4.550 -0.000 0.000 0.337 206 Y C 0.716 176.570 175.900 -0.077 0.000 1.014 206 Y CA -0.557 57.512 58.100 -0.052 0.000 1.111 206 Y CB 2.190 40.624 38.460 -0.044 0.000 1.194 206 Y HN 0.503 nan 8.280 nan 0.000 0.462 207 T N 5.438 120.029 114.554 0.061 0.000 2.786 207 T HA 0.575 4.924 4.350 -0.000 0.000 0.283 207 T C -0.493 174.155 174.700 -0.088 0.000 0.992 207 T CA -0.498 61.583 62.100 -0.031 0.000 0.954 207 T CB 0.269 69.113 68.868 -0.040 0.000 0.934 207 T HN 0.386 nan 8.240 nan 0.000 0.440 208 I N 2.868 123.330 120.570 -0.181 0.000 2.410 208 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 208 I C 0.186 176.107 176.117 -0.326 0.000 1.009 208 I CA -0.664 60.446 61.300 -0.317 0.000 1.111 208 I CB 1.866 39.533 38.000 -0.555 0.000 1.262 208 I HN 0.467 nan 8.210 nan 0.000 0.443 209 T N 5.835 120.235 114.554 -0.257 0.000 2.875 209 T HA 0.239 4.589 4.350 -0.000 0.000 0.307 209 T C 1.136 175.695 174.700 -0.235 0.000 1.013 209 T CA -0.286 61.696 62.100 -0.197 0.000 0.970 209 T CB 1.159 69.955 68.868 -0.119 0.000 0.986 209 T HN 0.757 nan 8.240 nan 0.000 0.536 210 A N 2.856 125.513 122.820 -0.272 0.000 2.014 210 A HA 0.554 4.874 4.320 -0.000 0.000 0.218 210 A C 1.205 178.765 177.584 -0.041 0.000 1.163 210 A CA 0.640 52.559 52.037 -0.196 0.000 0.652 210 A CB 0.077 19.059 19.000 -0.031 0.000 0.808 210 A HN 0.884 nan 8.150 nan 0.000 0.449 211 A N -1.009 121.792 122.820 -0.032 0.000 2.566 211 A HA 0.543 4.863 4.320 -0.000 0.000 0.297 211 A C -1.914 175.693 177.584 0.037 0.000 1.059 211 A CA -0.322 51.741 52.037 0.045 0.000 0.691 211 A CB 1.023 20.094 19.000 0.119 0.000 1.282 211 A HN 0.021 nan 8.150 nan 0.000 0.401 212 D N 2.134 122.584 120.400 0.084 0.000 2.405 212 D HA 0.351 4.991 4.640 -0.000 0.000 0.264 212 D C -0.714 175.648 176.300 0.103 0.000 1.240 212 D CA 0.278 54.316 54.000 0.062 0.000 0.893 212 D CB 0.262 41.086 40.800 0.040 0.000 1.198 212 D HN 0.492 nan 8.370 nan 0.000 0.514 213 D N 1.949 122.416 120.400 0.111 0.000 2.699 213 D HA -0.286 4.354 4.640 -0.000 0.000 0.239 213 D C -0.502 175.894 176.300 0.161 0.000 1.136 213 D CA 0.500 54.576 54.000 0.128 0.000 0.668 213 D CB -1.467 39.390 40.800 0.096 0.000 1.060 213 D HN 0.480 nan 8.370 nan 0.000 0.429 214 Y N 1.258 121.628 120.300 0.117 0.000 2.377 214 Y HA 0.217 4.767 4.550 -0.000 0.000 0.330 214 Y C 0.394 176.393 175.900 0.164 0.000 1.108 214 Y CA -0.004 58.177 58.100 0.135 0.000 1.308 214 Y CB 0.677 39.240 38.460 0.171 0.000 1.216 214 Y HN -0.064 nan 8.280 nan 0.000 0.518 215 Q N 7.586 126.948 119.800 -0.729 0.000 2.331 215 Q HA 0.191 4.531 4.340 -0.000 0.000 0.257 215 Q C -1.370 174.054 176.000 -0.960 0.000 0.957 215 Q CA -0.399 55.045 55.803 -0.598 0.000 0.923 215 Q CB 1.470 30.003 28.738 -0.342 0.000 1.212 215 Q HN 0.723 nan 8.270 nan 0.000 0.443 216 F N 1.488 120.869 119.950 -0.949 0.000 2.443 216 F HA 0.566 5.093 4.527 -0.000 0.000 0.335 216 F C -0.541 174.864 175.800 -0.657 0.000 1.104 216 F CA -0.546 56.856 58.000 -0.997 0.000 1.013 216 F CB 1.674 39.522 39.000 -1.920 0.000 1.136 216 F HN 0.378 nan 8.300 nan 0.000 0.470 217 S N 3.673 118.480 115.700 -1.488 0.000 2.543 217 S HA 0.720 5.190 4.470 -0.000 0.000 0.273 217 S C -1.396 172.618 174.600 -0.976 0.000 1.152 217 S CA -0.041 57.520 58.200 -1.065 0.000 0.910 217 S CB 1.096 63.984 63.200 -0.520 0.000 1.105 217 S HN 1.341 nan 8.310 nan 0.000 0.465 218 S N 3.147 118.455 115.700 -0.654 0.000 2.586 218 S HA 0.451 4.921 4.470 -0.000 0.000 0.277 218 S C -1.399 173.125 174.600 -0.126 0.000 1.131 218 S CA -0.754 57.237 58.200 -0.348 0.000 0.848 218 S CB 1.322 64.331 63.200 -0.318 0.000 1.091 218 S HN 0.861 nan 8.310 nan 0.000 0.453 219 Q N 1.716 121.482 119.800 -0.057 0.000 2.311 219 Q HA 0.324 4.664 4.340 -0.000 0.000 0.272 219 Q C -0.300 175.754 176.000 0.090 0.000 1.012 219 Q CA -0.198 55.620 55.803 0.026 0.000 0.891 219 Q CB 0.162 28.912 28.738 0.020 0.000 1.201 219 Q HN 0.717 nan 8.270 nan 0.000 0.391 220 Y N 3.160 123.471 120.300 0.017 0.000 2.741 220 Y HA -0.083 4.467 4.550 -0.000 0.000 0.351 220 Y C -0.410 175.513 175.900 0.040 0.000 1.274 220 Y CA 0.872 58.998 58.100 0.043 0.000 1.482 220 Y CB 0.505 38.988 38.460 0.039 0.000 1.357 220 Y HN 0.718 nan 8.280 nan 0.000 0.657 221 Q N 2.935 122.148 119.800 -0.977 0.000 2.403 221 Q HA 0.221 4.561 4.340 -0.000 0.000 0.267 221 Q C -1.550 173.867 176.000 -0.973 0.000 0.991 221 Q CA -0.684 54.707 55.803 -0.686 0.000 0.906 221 Q CB 1.866 30.444 28.738 -0.267 0.000 1.422 221 Q HN 0.806 nan 8.270 nan 0.000 0.400 222 S N 0.984 116.369 115.700 -0.525 0.000 2.533 222 S HA 0.458 4.928 4.470 -0.000 0.000 0.282 222 S C 1.040 175.536 174.600 -0.174 0.000 1.304 222 S CA 1.745 59.789 58.200 -0.259 0.000 1.063 222 S CB 0.226 63.422 63.200 -0.006 0.000 0.881 222 S HN 1.037 nan 8.310 nan 0.000 0.493 223 G N 2.822 111.553 108.800 -0.116 0.000 2.217 223 G HA2 0.056 4.016 3.960 -0.000 0.000 0.246 223 G HA3 0.056 4.016 3.960 -0.000 0.000 0.246 223 G C 1.090 175.946 174.900 -0.073 0.000 0.990 223 G CA 0.202 45.261 45.100 -0.067 0.000 0.627 223 G HN 2.101 nan 8.290 nan 0.000 0.522 224 G N -2.121 106.601 108.800 -0.130 0.000 2.712 224 G HA2 0.390 4.350 3.960 -0.000 0.000 0.683 224 G HA3 0.390 4.350 3.960 -0.000 0.000 0.683 224 G C -0.046 174.828 174.900 -0.042 0.000 1.320 224 G CA 0.372 45.426 45.100 -0.076 0.000 0.847 224 G HN 2.030 nan 8.290 nan 0.000 0.553 225 V N -2.517 117.414 119.914 0.028 0.000 2.448 225 V HA 0.881 5.001 4.120 -0.000 0.000 0.295 225 V C 0.327 176.467 176.094 0.078 0.000 1.025 225 V CA -0.188 62.160 62.300 0.080 0.000 0.859 225 V CB 1.543 33.481 31.823 0.191 0.000 0.988 225 V HN 1.181 nan 8.190 nan 0.000 0.431 226 T N 6.849 121.438 114.554 0.058 0.000 2.867 226 T HA 0.799 5.149 4.350 -0.000 0.000 0.282 226 T C -0.118 174.620 174.700 0.064 0.000 1.000 226 T CA -0.195 61.931 62.100 0.042 0.000 1.042 226 T CB 1.248 70.128 68.868 0.021 0.000 0.973 226 T HN 0.998 nan 8.240 nan 0.000 0.465 227 I N -1.079 119.525 120.570 0.057 0.000 2.865 227 I HA 0.662 4.832 4.170 -0.000 0.000 0.302 227 I C -0.876 175.259 176.117 0.030 0.000 1.140 227 I CA -0.900 60.444 61.300 0.074 0.000 1.021 227 I CB 2.590 40.679 38.000 0.148 0.000 1.233 227 I HN 0.348 nan 8.210 nan 0.000 0.427 228 T N 5.164 119.716 114.554 -0.004 0.000 2.853 228 T HA 0.254 4.604 4.350 -0.000 0.000 0.317 228 T C 0.729 175.396 174.700 -0.055 0.000 1.059 228 T CA -0.292 61.766 62.100 -0.070 0.000 0.954 228 T CB 1.148 69.948 68.868 -0.113 0.000 0.994 228 T HN 0.607 nan 8.240 nan 0.000 0.479 229 L N 4.391 125.589 121.223 -0.041 0.000 2.079 229 L HA 0.190 4.530 4.340 -0.000 0.000 0.210 229 L C 0.181 177.084 176.870 0.055 0.000 1.081 229 L CA 1.813 56.664 54.840 0.019 0.000 0.752 229 L CB -0.349 41.799 42.059 0.148 0.000 0.896 229 L HN 0.722 nan 8.230 nan 0.000 0.433 230 F N -3.441 116.492 119.950 -0.030 0.000 2.807 230 F HA 0.602 5.129 4.527 -0.000 0.000 0.316 230 F C -0.859 174.921 175.800 -0.033 0.000 1.162 230 F CA -0.845 57.127 58.000 -0.046 0.000 0.910 230 F CB 0.469 39.435 39.000 -0.057 0.000 1.314 230 F HN -0.293 nan 8.300 nan 0.000 0.454 231 S N 1.390 117.213 115.700 0.204 0.000 2.572 231 S HA 0.911 5.381 4.470 -0.000 0.000 0.274 231 S C -1.529 173.211 174.600 0.233 0.000 1.150 231 S CA 0.227 58.487 58.200 0.100 0.000 0.944 231 S CB 1.170 64.356 63.200 -0.022 0.000 1.071 231 S HN 1.869 nan 8.310 nan 0.000 0.479 232 A N 3.885 126.829 122.820 0.206 0.000 2.515 232 A HA 0.729 5.049 4.320 -0.000 0.000 0.298 232 A C -1.088 176.490 177.584 -0.009 0.000 1.059 232 A CA -0.904 51.185 52.037 0.087 0.000 0.698 232 A CB 1.225 20.254 19.000 0.049 0.000 1.289 232 A HN 0.748 nan 8.150 nan 0.000 0.404 233 N N 1.133 119.806 118.700 -0.045 0.000 2.458 233 N HA 0.587 5.327 4.740 -0.000 0.000 0.270 233 N C -0.467 174.918 175.510 -0.210 0.000 1.102 233 N CA 0.288 53.298 53.050 -0.067 0.000 0.967 233 N CB 0.891 39.374 38.487 -0.007 0.000 1.078 233 N HN 0.731 nan 8.380 nan 0.000 0.471 234 I N -1.980 118.448 120.570 -0.237 0.000 3.102 234 I HA 0.557 4.727 4.170 -0.000 0.000 0.310 234 I C -1.126 174.948 176.117 -0.072 0.000 1.246 234 I CA -0.966 60.042 61.300 -0.488 0.000 0.979 234 I CB 2.716 40.259 38.000 -0.763 0.000 1.267 234 I HN 0.038 nan 8.210 nan 0.000 0.451 235 D N 2.232 122.711 120.400 0.132 0.000 2.481 235 D HA 0.767 5.407 4.640 -0.000 0.000 0.244 235 D C -1.103 175.289 176.300 0.154 0.000 1.057 235 D CA -0.239 53.858 54.000 0.162 0.000 0.848 235 D CB 2.441 43.366 40.800 0.208 0.000 1.388 235 D HN 0.921 nan 8.370 nan 0.000 0.475 236 A N 1.940 124.814 122.820 0.091 0.000 2.540 236 A HA 0.497 4.817 4.320 -0.000 0.000 0.297 236 A C -0.362 177.229 177.584 0.013 0.000 1.056 236 A CA -0.493 51.580 52.037 0.060 0.000 0.700 236 A CB 0.893 19.925 19.000 0.053 0.000 1.280 236 A HN 0.558 nan 8.150 nan 0.000 0.398 237 I N 0.461 121.021 120.570 -0.017 0.000 4.338 237 I HA 0.118 4.288 4.170 -0.000 0.000 0.315 237 I C 1.165 177.261 176.117 -0.035 0.000 1.262 237 I CA 1.120 62.367 61.300 -0.087 0.000 1.298 237 I CB 0.877 38.733 38.000 -0.240 0.000 1.257 237 I HN 0.831 nan 8.210 nan 0.000 0.444 238 T N -1.734 112.835 114.554 0.026 0.000 2.724 238 T HA 0.380 4.730 4.350 -0.000 0.000 0.274 238 T C 0.271 175.011 174.700 0.066 0.000 0.984 238 T CA -0.463 61.670 62.100 0.055 0.000 1.024 238 T CB 1.151 70.083 68.868 0.107 0.000 1.320 238 T HN 0.101 nan 8.240 nan 0.000 0.555 239 S N 0.725 116.484 115.700 0.098 0.000 2.561 239 S HA 0.325 4.795 4.470 -0.000 0.000 0.294 239 S C 0.089 174.774 174.600 0.140 0.000 1.294 239 S CA -0.360 57.928 58.200 0.146 0.000 1.055 239 S CB -1.104 62.218 63.200 0.203 0.000 0.819 239 S HN 1.177 nan 8.310 nan 0.000 0.503 240 L N -0.208 121.052 121.223 0.062 0.000 2.403 240 L HA 0.960 5.300 4.340 -0.000 0.000 0.253 240 L C -0.633 176.224 176.870 -0.022 0.000 1.045 240 L CA -0.980 53.779 54.840 -0.133 0.000 0.845 240 L CB 1.823 43.843 42.059 -0.065 0.000 1.447 240 L HN 0.860 nan 8.230 nan 0.000 0.411 241 S N 0.063 115.716 115.700 -0.079 0.000 2.564 241 S HA 0.809 5.279 4.470 -0.000 0.000 0.274 241 S C -1.120 173.502 174.600 0.037 0.000 1.124 241 S CA -0.651 57.578 58.200 0.048 0.000 0.869 241 S CB 1.797 65.079 63.200 0.137 0.000 1.105 241 S HN 0.673 nan 8.310 nan 0.000 0.472 242 I N 2.126 122.742 120.570 0.078 0.000 2.447 242 I HA 0.676 4.846 4.170 -0.000 0.000 0.287 242 I C 0.555 176.745 176.117 0.122 0.000 1.023 242 I CA -0.462 60.888 61.300 0.084 0.000 1.083 242 I CB 1.851 39.921 38.000 0.117 0.000 1.245 242 I HN 0.930 nan 8.210 nan 0.000 0.434 243 G N 2.973 111.817 108.800 0.073 0.000 2.714 243 G HA2 0.898 4.858 3.960 -0.000 0.000 0.292 243 G HA3 0.898 4.858 3.960 -0.000 0.000 0.292 243 G C -0.465 174.455 174.900 0.034 0.000 1.308 243 G CA -0.496 44.666 45.100 0.103 0.000 0.964 243 G HN 0.998 nan 8.290 nan 0.000 0.484 244 G N -1.155 107.701 108.800 0.092 0.000 2.298 244 G HA2 0.413 4.373 3.960 -0.000 0.000 0.309 244 G HA3 0.413 4.373 3.960 -0.000 0.000 0.309 244 G C -1.102 173.921 174.900 0.205 0.000 1.279 244 G CA 0.143 45.265 45.100 0.037 0.000 1.042 244 G HN 1.035 nan 8.290 nan 0.000 0.480 245 E N -1.317 118.966 120.200 0.138 0.000 2.378 245 E HA 0.589 4.939 4.350 -0.000 0.000 0.283 245 E C -1.422 175.275 176.600 0.163 0.000 0.979 245 E CA -0.773 55.778 56.400 0.251 0.000 0.795 245 E CB 1.671 31.450 29.700 0.132 0.000 1.221 245 E HN 0.623 nan 8.360 nan 0.000 0.428 246 L N 3.015 124.386 121.223 0.247 0.000 2.334 246 L HA 0.644 4.984 4.340 -0.000 0.000 0.276 246 L C -0.902 175.910 176.870 -0.096 0.000 1.014 246 L CA -1.151 53.700 54.840 0.019 0.000 0.815 246 L CB 1.974 44.093 42.059 0.100 0.000 1.268 246 L HN 0.347 nan 8.230 nan 0.000 0.428 247 V N 2.761 122.485 119.914 -0.316 0.000 2.378 247 V HA 0.413 4.533 4.120 -0.000 0.000 0.288 247 V C -0.581 175.195 176.094 -0.529 0.000 1.016 247 V CA -0.497 61.633 62.300 -0.285 0.000 0.840 247 V CB 1.234 32.918 31.823 -0.231 0.000 0.994 247 V HN 0.358 nan 8.190 nan 0.000 0.431 248 F N 2.874 122.666 119.950 -0.263 0.000 2.422 248 F HA 0.620 5.147 4.527 -0.000 0.000 0.333 248 F C 0.497 176.180 175.800 -0.195 0.000 1.095 248 F CA -0.376 57.477 58.000 -0.245 0.000 1.038 248 F CB 1.197 40.008 39.000 -0.316 0.000 1.156 248 F HN 0.472 nan 8.300 nan 0.000 0.483 249 H N -0.237 118.982 119.070 0.249 0.000 2.637 249 H HA 0.622 5.178 4.556 -0.000 0.000 0.363 249 H C -0.696 174.776 175.328 0.239 0.000 1.131 249 H CA -0.851 55.308 56.048 0.185 0.000 1.183 249 H CB 2.365 32.207 29.762 0.133 0.000 1.637 249 H HN 0.613 nan 8.280 nan 0.000 0.531 250 T N 0.578 115.307 114.554 0.291 0.000 2.942 250 T HA 0.183 4.533 4.350 -0.000 0.000 0.327 250 T C 0.029 174.772 174.700 0.072 0.000 1.360 250 T CA -0.518 61.709 62.100 0.211 0.000 1.055 250 T CB 1.558 70.558 68.868 0.220 0.000 1.261 250 T HN 0.522 nan 8.240 nan 0.000 0.485 251 S N 1.283 117.009 115.700 0.043 0.000 2.502 251 S HA 0.270 4.740 4.470 -0.000 0.000 0.215 251 S C 0.539 175.079 174.600 -0.100 0.000 1.009 251 S CA -0.095 58.090 58.200 -0.025 0.000 0.908 251 S CB 0.360 63.572 63.200 0.020 0.000 0.801 251 S HN 0.597 nan 8.310 nan 0.000 0.505 252 V N 3.491 123.380 119.914 -0.042 0.000 2.732 252 V HA 0.235 4.355 4.120 -0.000 0.000 0.297 252 V C 0.140 176.150 176.094 -0.140 0.000 1.060 252 V CA -0.482 61.813 62.300 -0.008 0.000 1.038 252 V CB 0.679 32.554 31.823 0.086 0.000 1.003 252 V HN 0.437 nan 8.190 nan 0.000 0.481 253 H N 2.127 121.239 119.070 0.071 0.000 2.496 253 H HA 0.413 4.969 4.556 -0.000 0.000 0.342 253 H C 1.186 176.551 175.328 0.063 0.000 1.170 253 H CA 0.396 56.480 56.048 0.060 0.000 1.274 253 H CB 1.551 31.337 29.762 0.040 0.000 1.538 253 H HN 0.923 nan 8.280 nan 0.000 0.542 254 G N 1.414 110.306 108.800 0.153 0.000 2.155 254 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.257 254 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.257 254 G C 0.079 175.036 174.900 0.096 0.000 0.983 254 G CA 0.038 45.203 45.100 0.110 0.000 0.676 254 G HN 0.409 nan 8.290 nan 0.000 0.528 255 L N 0.275 121.552 121.223 0.089 0.000 2.350 255 L HA 0.701 5.041 4.340 -0.000 0.000 0.275 255 L C 0.651 177.536 176.870 0.025 0.000 1.099 255 L CA -0.099 54.798 54.840 0.094 0.000 0.808 255 L CB 1.619 43.764 42.059 0.144 0.000 1.149 255 L HN 0.357 nan 8.230 nan 0.000 0.442 256 A N 4.452 127.277 122.820 0.008 0.000 2.414 256 A HA 0.825 5.145 4.320 -0.000 0.000 0.306 256 A C -0.995 176.524 177.584 -0.108 0.000 1.054 256 A CA -0.525 51.476 52.037 -0.059 0.000 0.724 256 A CB 1.416 20.396 19.000 -0.032 0.000 1.267 256 A HN 0.624 nan 8.150 nan 0.000 0.418 257 L N 1.431 122.527 121.223 -0.210 0.000 2.334 257 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 257 L C -0.936 175.808 176.870 -0.211 0.000 1.013 257 L CA -0.814 53.863 54.840 -0.273 0.000 0.816 257 L CB 2.095 43.823 42.059 -0.552 0.000 1.278 257 L HN 0.635 nan 8.230 nan 0.000 0.431 258 D N 1.963 122.263 120.400 -0.166 0.000 2.629 258 D HA 0.607 5.247 4.640 -0.000 0.000 0.250 258 D C -1.011 175.220 176.300 -0.115 0.000 1.126 258 D CA -0.176 53.749 54.000 -0.126 0.000 0.852 258 D CB 2.654 43.407 40.800 -0.078 0.000 1.335 258 D HN 0.551 nan 8.370 nan 0.000 0.518 259 A N 1.738 124.485 122.820 -0.120 0.000 2.393 259 A HA 0.732 5.052 4.320 -0.000 0.000 0.306 259 A C -0.540 176.999 177.584 -0.076 0.000 1.050 259 A CA -0.522 51.468 52.037 -0.078 0.000 0.724 259 A CB 1.687 20.632 19.000 -0.092 0.000 1.248 259 A HN 0.350 nan 8.150 nan 0.000 0.424 260 T N 2.959 117.499 114.554 -0.023 0.000 2.886 260 T HA 0.487 4.837 4.350 -0.000 0.000 0.292 260 T C -0.547 174.113 174.700 -0.067 0.000 1.012 260 T CA -0.352 61.682 62.100 -0.109 0.000 0.982 260 T CB 1.007 69.753 68.868 -0.204 0.000 1.018 260 T HN 0.473 nan 8.240 nan 0.000 0.451 261 I N 3.156 123.653 120.570 -0.121 0.000 2.353 261 I HA 0.402 4.572 4.170 -0.000 0.000 0.293 261 I C -0.898 175.108 176.117 -0.184 0.000 0.992 261 I CA -0.740 60.555 61.300 -0.010 0.000 1.268 261 I CB 1.092 39.150 38.000 0.097 0.000 1.387 261 I HN 0.659 nan 8.210 nan 0.000 0.478 262 Y N 5.945 126.228 120.300 -0.029 0.000 2.364 262 Y HA 0.498 5.048 4.550 -0.000 0.000 0.340 262 Y C -0.133 175.751 175.900 -0.025 0.000 0.975 262 Y CA -0.715 57.366 58.100 -0.031 0.000 1.089 262 Y CB 1.756 40.185 38.460 -0.052 0.000 1.192 262 Y HN 0.269 nan 8.280 nan 0.000 0.454 263 L N 5.323 126.616 121.223 0.116 0.000 2.298 263 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 263 L C -0.928 175.984 176.870 0.069 0.000 1.013 263 L CA -0.661 54.222 54.840 0.071 0.000 0.824 263 L CB 0.818 42.901 42.059 0.039 0.000 1.221 263 L HN 0.474 nan 8.230 nan 0.000 0.418 264 I N 2.382 122.984 120.570 0.054 0.000 2.385 264 I HA 0.377 4.547 4.170 -0.000 0.000 0.294 264 I C 0.995 177.135 176.117 0.037 0.000 0.988 264 I CA -0.185 61.138 61.300 0.038 0.000 1.265 264 I CB 1.316 39.322 38.000 0.011 0.000 1.388 264 I HN 0.527 nan 8.210 nan 0.000 0.480 265 G N 3.337 112.161 108.800 0.040 0.000 2.616 265 G HA2 0.166 4.126 3.960 -0.000 0.000 0.268 265 G HA3 0.166 4.126 3.960 -0.000 0.000 0.268 265 G C 0.371 175.340 174.900 0.115 0.000 1.213 265 G CA -0.341 44.803 45.100 0.074 0.000 0.926 265 G HN 0.610 nan 8.290 nan 0.000 0.523 266 F N 0.470 120.420 119.950 -0.001 0.000 2.269 266 F HA -0.088 4.439 4.527 -0.000 0.000 0.301 266 F C 2.105 177.860 175.800 -0.074 0.000 1.082 266 F CA 1.765 59.706 58.000 -0.097 0.000 1.360 266 F CB 0.268 39.100 39.000 -0.279 0.000 1.041 266 F HN 0.418 nan 8.300 nan 0.000 0.512 267 D N -0.983 119.466 120.400 0.081 0.000 2.325 267 D HA 0.170 4.810 4.640 -0.000 0.000 0.225 267 D C 1.816 178.108 176.300 -0.013 0.000 1.096 267 D CA 0.720 54.740 54.000 0.034 0.000 0.844 267 D CB -0.349 40.616 40.800 0.274 0.000 0.925 267 D HN 0.396 nan 8.370 nan 0.000 0.513 268 G N -0.711 108.065 108.800 -0.039 0.000 2.217 268 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 268 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 268 G C 0.542 175.435 174.900 -0.011 0.000 0.990 268 G CA 0.318 45.392 45.100 -0.042 0.000 0.627 268 G HN 0.502 nan 8.290 nan 0.000 0.522 269 T N 1.991 116.558 114.554 0.022 0.000 2.899 269 T HA 0.501 4.851 4.350 -0.000 0.000 0.295 269 T C 0.685 175.405 174.700 0.033 0.000 1.033 269 T CA 0.885 63.004 62.100 0.032 0.000 1.084 269 T CB 0.795 69.698 68.868 0.058 0.000 0.979 269 T HN 0.234 nan 8.240 nan 0.000 0.532 270 T N 2.993 117.574 114.554 0.045 0.000 2.832 270 T HA 0.257 4.607 4.350 -0.000 0.000 0.296 270 T C 1.254 175.981 174.700 0.046 0.000 0.968 270 T CA -0.630 61.515 62.100 0.075 0.000 1.107 270 T CB 1.110 70.062 68.868 0.140 0.000 0.916 270 T HN 0.349 nan 8.240 nan 0.000 0.517 271 V N 3.070 123.005 119.914 0.034 0.000 2.788 271 V HA 0.262 4.382 4.120 -0.000 0.000 0.241 271 V C 0.437 176.531 176.094 0.001 0.000 1.083 271 V CA 0.576 62.876 62.300 -0.001 0.000 1.103 271 V CB 0.182 31.993 31.823 -0.020 0.000 0.800 271 V HN 0.690 nan 8.190 nan 0.000 0.476 272 I N 0.859 121.435 120.570 0.010 0.000 2.619 272 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 272 I C -0.441 175.648 176.117 -0.048 0.000 1.100 272 I CA -0.013 61.278 61.300 -0.014 0.000 1.043 272 I CB 1.826 39.820 38.000 -0.010 0.000 1.239 272 I HN 0.273 nan 8.210 nan 0.000 0.420 273 T N 3.568 118.058 114.554 -0.108 0.000 2.848 273 T HA 0.745 5.095 4.350 -0.000 0.000 0.285 273 T C -0.465 174.109 174.700 -0.209 0.000 0.995 273 T CA -0.852 61.088 62.100 -0.266 0.000 0.970 273 T CB 2.331 71.001 68.868 -0.330 0.000 0.976 273 T HN 0.438 nan 8.240 nan 0.000 0.441 274 R N 1.767 122.129 120.500 -0.230 0.000 2.575 274 R HA 0.733 5.073 4.340 -0.000 0.000 0.293 274 R C -0.427 175.775 176.300 -0.163 0.000 0.983 274 R CA -0.748 55.265 56.100 -0.145 0.000 0.887 274 R CB 1.879 32.137 30.300 -0.071 0.000 1.184 274 R HN 0.985 nan 8.270 nan 0.000 0.445 275 A N 2.211 124.946 122.820 -0.142 0.000 2.409 275 A HA 0.310 4.630 4.320 -0.000 0.000 0.262 275 A C 0.791 178.284 177.584 -0.152 0.000 1.113 275 A CA -0.268 51.684 52.037 -0.142 0.000 0.790 275 A CB 0.685 19.614 19.000 -0.118 0.000 1.046 275 A HN 0.502 nan 8.150 nan 0.000 0.496 276 V N 1.528 121.326 119.914 -0.194 0.000 3.455 276 V HA 0.443 4.563 4.120 -0.000 0.000 0.250 276 V C 0.911 176.822 176.094 -0.305 0.000 1.230 276 V CA 1.534 63.645 62.300 -0.316 0.000 1.105 276 V CB 0.345 31.883 31.823 -0.475 0.000 0.850 276 V HN 1.166 nan 8.190 nan 0.000 0.461 277 A N -0.788 121.896 122.820 -0.227 0.000 2.459 277 A HA 0.747 5.067 4.320 -0.000 0.000 0.296 277 A C -0.699 176.792 177.584 -0.155 0.000 1.039 277 A CA -0.203 51.712 52.037 -0.202 0.000 0.698 277 A CB 1.944 20.800 19.000 -0.239 0.000 1.261 277 A HN 0.044 nan 8.150 nan 0.000 0.405 278 S N 1.729 117.351 115.700 -0.131 0.000 2.756 278 S HA 0.510 4.980 4.470 -0.000 0.000 0.303 278 S C -0.468 174.077 174.600 -0.092 0.000 1.135 278 S CA 0.036 58.175 58.200 -0.101 0.000 1.066 278 S CB 0.481 63.631 63.200 -0.083 0.000 1.008 278 S HN 1.072 nan 8.310 nan 0.000 0.482 279 D N 2.742 123.089 120.400 -0.088 0.000 2.708 279 D HA -0.203 4.437 4.640 -0.000 0.000 0.236 279 D C -0.442 175.804 176.300 -0.090 0.000 1.146 279 D CA 0.819 54.773 54.000 -0.075 0.000 0.662 279 D CB -1.055 39.715 40.800 -0.050 0.000 1.059 279 D HN 0.556 nan 8.370 nan 0.000 0.428 280 N N 0.019 118.641 118.700 -0.131 0.000 2.415 280 N HA 0.398 5.138 4.740 -0.000 0.000 0.250 280 N C 0.316 175.736 175.510 -0.150 0.000 1.127 280 N CA 0.438 53.400 53.050 -0.147 0.000 0.945 280 N CB 0.596 38.962 38.487 -0.201 0.000 1.196 280 N HN 0.275 nan 8.380 nan 0.000 0.499 281 G N 2.880 111.623 108.800 -0.095 0.000 2.442 281 G HA2 0.375 4.335 3.960 -0.000 0.000 0.249 281 G HA3 0.375 4.335 3.960 -0.000 0.000 0.249 281 G C -0.219 174.634 174.900 -0.078 0.000 1.263 281 G CA -0.456 44.602 45.100 -0.070 0.000 0.846 281 G HN 0.606 nan 8.290 nan 0.000 0.555 282 L N 1.595 122.778 121.223 -0.066 0.000 2.295 282 L HA 0.352 4.692 4.340 -0.000 0.000 0.285 282 L C 0.345 177.213 176.870 -0.004 0.000 1.035 282 L CA -0.611 54.200 54.840 -0.049 0.000 0.806 282 L CB 1.770 43.796 42.059 -0.055 0.000 1.214 282 L HN 0.375 nan 8.230 nan 0.000 0.426 283 T N 0.648 115.210 114.554 0.013 0.000 2.799 283 T HA 0.293 4.643 4.350 -0.000 0.000 0.286 283 T C 0.374 175.085 174.700 0.018 0.000 0.973 283 T CA -0.641 61.474 62.100 0.024 0.000 1.035 283 T CB 1.194 70.085 68.868 0.038 0.000 0.932 283 T HN 0.687 nan 8.240 nan 0.000 0.469 284 T N 0.109 114.642 114.554 -0.035 0.000 2.903 284 T HA 0.391 4.741 4.350 -0.000 0.000 0.314 284 T C 1.444 176.150 174.700 0.011 0.000 1.078 284 T CA -0.090 61.966 62.100 -0.074 0.000 1.114 284 T CB 0.204 68.915 68.868 -0.263 0.000 0.987 284 T HN 1.106 nan 8.240 nan 0.000 0.548 285 G N 0.808 109.616 108.800 0.013 0.000 2.321 285 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.287 285 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.287 285 G C -0.222 174.701 174.900 0.038 0.000 1.018 285 G CA 0.488 45.596 45.100 0.012 0.000 0.855 285 G HN 0.867 nan 8.290 nan 0.000 0.507 286 I N -1.014 119.615 120.570 0.098 0.000 3.195 286 I HA 0.430 4.600 4.170 -0.000 0.000 0.313 286 I C -1.076 175.198 176.117 0.260 0.000 1.237 286 I CA -2.001 59.376 61.300 0.129 0.000 0.963 286 I CB 1.943 39.996 38.000 0.088 0.000 1.278 286 I HN -0.027 nan 8.210 nan 0.000 0.460 287 D N 3.619 124.152 120.400 0.221 0.000 2.339 287 D HA 0.221 4.861 4.640 -0.000 0.000 0.241 287 D C -0.622 175.730 176.300 0.086 0.000 1.183 287 D CA 0.034 54.143 54.000 0.183 0.000 0.859 287 D CB 0.459 41.341 40.800 0.135 0.000 1.067 287 D HN 0.282 nan 8.370 nan 0.000 0.484 288 N N 3.175 121.912 118.700 0.062 0.000 2.439 288 N HA 0.199 4.939 4.740 -0.000 0.000 0.249 288 N C -0.132 175.424 175.510 0.077 0.000 1.003 288 N CA -0.325 52.764 53.050 0.064 0.000 0.942 288 N CB 1.779 40.308 38.487 0.069 0.000 1.115 288 N HN 0.261 nan 8.380 nan 0.000 0.505 289 L N 2.487 123.740 121.223 0.049 0.000 2.276 289 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 289 L C 0.451 177.353 176.870 0.055 0.000 1.061 289 L CA -0.194 54.678 54.840 0.055 0.000 0.807 289 L CB 0.972 43.051 42.059 0.033 0.000 1.177 289 L HN 0.387 nan 8.230 nan 0.000 0.429 290 M N 7.477 127.140 119.600 0.106 0.000 2.065 290 M HA 0.411 4.890 4.480 -0.000 0.000 0.332 290 M C -2.576 173.749 176.300 0.043 0.000 0.988 290 M CA -1.596 53.733 55.300 0.048 0.000 0.944 290 M CB 1.524 34.226 32.600 0.169 0.000 1.357 290 M HN 0.194 nan 8.290 nan 0.000 0.388 291 P HA 0.354 nan 4.420 nan 0.000 0.279 291 P C -1.421 175.822 177.300 -0.094 0.000 1.252 291 P CA -0.160 62.981 63.100 0.069 0.000 0.811 291 P CB 0.904 32.628 31.700 0.040 0.000 1.035 292 F N 0.710 120.672 119.950 0.020 0.000 2.467 292 F HA 0.395 4.921 4.527 -0.000 0.000 0.336 292 F C 0.971 176.782 175.800 0.018 0.000 1.123 292 F CA -0.267 57.746 58.000 0.022 0.000 0.964 292 F CB 1.356 40.376 39.000 0.034 0.000 1.136 292 F HN 0.171 nan 8.300 nan 0.000 0.447 293 N N 4.842 123.614 118.700 0.121 0.000 2.703 293 N HA 0.289 5.029 4.740 -0.000 0.000 0.283 293 N C -1.514 174.040 175.510 0.074 0.000 1.851 293 N CA -0.023 53.079 53.050 0.087 0.000 0.826 293 N CB 0.927 39.437 38.487 0.039 0.000 1.239 293 N HN 0.455 nan 8.380 nan 0.000 0.495 294 L N 0.793 122.082 121.223 0.109 0.000 2.307 294 L HA 0.623 4.962 4.340 -0.000 0.000 0.284 294 L C -0.079 176.841 176.870 0.082 0.000 1.023 294 L CA -0.909 53.981 54.840 0.084 0.000 0.810 294 L CB 2.095 44.215 42.059 0.102 0.000 1.231 294 L HN -0.222 nan 8.230 nan 0.000 0.423 295 V N 4.608 124.562 119.914 0.066 0.000 2.443 295 V HA 0.375 4.495 4.120 -0.000 0.000 0.293 295 V C -0.306 175.825 176.094 0.062 0.000 1.021 295 V CA -0.303 62.045 62.300 0.081 0.000 0.848 295 V CB 1.995 33.862 31.823 0.073 0.000 0.998 295 V HN 0.467 nan 8.190 nan 0.000 0.424 296 I N 8.830 129.441 120.570 0.069 0.000 2.306 296 I HA 0.379 4.549 4.170 -0.000 0.000 0.288 296 I C -1.976 174.176 176.117 0.058 0.000 1.036 296 I CA -1.878 59.451 61.300 0.048 0.000 1.221 296 I CB 1.589 39.611 38.000 0.036 0.000 1.385 296 I HN 0.425 nan 8.210 nan 0.000 0.472 297 P HA 0.112 nan 4.420 nan 0.000 0.274 297 P C 0.572 177.891 177.300 0.033 0.000 1.231 297 P CA -0.184 62.941 63.100 0.041 0.000 0.790 297 P CB 0.990 32.705 31.700 0.024 0.000 0.951 298 T N 1.296 115.871 114.554 0.036 0.000 2.665 298 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 298 T C 1.616 176.323 174.700 0.011 0.000 1.035 298 T CA 2.093 64.209 62.100 0.026 0.000 1.151 298 T CB -0.931 67.956 68.868 0.031 0.000 0.862 298 T HN 0.611 nan 8.240 nan 0.000 0.438 299 N N 1.563 120.270 118.700 0.011 0.000 2.348 299 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 299 N C 1.532 177.044 175.510 0.003 0.000 1.019 299 N CA 1.075 54.129 53.050 0.007 0.000 0.880 299 N CB -0.340 38.152 38.487 0.008 0.000 0.965 299 N HN 0.515 nan 8.380 nan 0.000 0.437 300 E N 0.157 120.358 120.200 0.002 0.000 2.299 300 E HA 0.177 4.527 4.350 -0.000 0.000 0.193 300 E C 0.116 176.708 176.600 -0.014 0.000 0.998 300 E CA -0.094 56.304 56.400 -0.004 0.000 0.851 300 E CB 0.190 29.890 29.700 -0.001 0.000 0.795 300 E HN 0.356 nan 8.360 nan 0.000 0.492 301 I N 1.861 122.421 120.570 -0.016 0.000 2.347 301 I HA -0.034 4.136 4.170 -0.000 0.000 0.294 301 I C 1.356 177.436 176.117 -0.063 0.000 1.090 301 I CA 0.040 61.319 61.300 -0.036 0.000 1.314 301 I CB 1.200 39.183 38.000 -0.028 0.000 1.423 301 I HN 0.046 nan 8.210 nan 0.000 0.503 302 T N 1.773 116.269 114.554 -0.097 0.000 3.065 302 T HA 0.102 4.452 4.350 -0.000 0.000 0.252 302 T C 0.393 174.887 174.700 -0.344 0.000 1.099 302 T CA 0.002 62.018 62.100 -0.139 0.000 1.063 302 T CB 0.028 68.835 68.868 -0.101 0.000 0.948 302 T HN 0.711 nan 8.240 nan 0.000 0.506 303 Q N -0.414 119.158 119.800 -0.380 0.000 2.472 303 Q HA 0.563 4.903 4.340 -0.000 0.000 0.281 303 Q C -3.460 172.419 176.000 -0.203 0.000 0.997 303 Q CA -2.434 53.025 55.803 -0.573 0.000 0.828 303 Q CB 0.748 28.756 28.738 -1.218 0.000 1.443 303 Q HN -0.126 nan 8.270 nan 0.000 0.390 304 P HA -0.029 nan 4.420 nan 0.000 0.263 304 P C -0.632 176.701 177.300 0.055 0.000 1.175 304 P CA 0.251 63.380 63.100 0.047 0.000 0.761 304 P CB 0.288 32.098 31.700 0.184 0.000 0.794 305 I N 3.053 123.650 120.570 0.044 0.000 2.365 305 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 305 I C 1.443 177.604 176.117 0.074 0.000 1.004 305 I CA 0.246 61.574 61.300 0.048 0.000 1.311 305 I CB 0.834 38.852 38.000 0.030 0.000 1.401 305 I HN 0.433 nan 8.210 nan 0.000 0.491 306 T N 0.012 114.613 114.554 0.077 0.000 3.058 306 T HA 0.253 4.603 4.350 -0.000 0.000 0.278 306 T C 0.312 175.030 174.700 0.030 0.000 0.974 306 T CA -0.086 62.064 62.100 0.082 0.000 0.893 306 T CB 0.107 69.068 68.868 0.155 0.000 1.138 306 T HN 0.636 nan 8.240 nan 0.000 0.529 307 S N 0.431 116.139 115.700 0.013 0.000 2.567 307 S HA 0.731 5.201 4.470 -0.000 0.000 0.270 307 S C -1.564 173.039 174.600 0.006 0.000 1.152 307 S CA -1.046 57.149 58.200 -0.007 0.000 0.835 307 S CB 1.742 64.939 63.200 -0.007 0.000 1.115 307 S HN 0.503 nan 8.310 nan 0.000 0.459 308 I N 1.250 121.831 120.570 0.018 0.000 2.582 308 I HA 0.712 4.882 4.170 -0.000 0.000 0.292 308 I C -1.578 174.552 176.117 0.022 0.000 1.066 308 I CA -0.667 60.665 61.300 0.053 0.000 1.053 308 I CB 1.794 39.844 38.000 0.084 0.000 1.241 308 I HN 1.014 nan 8.210 nan 0.000 0.421 309 K N 6.267 126.623 120.400 -0.073 0.000 2.508 309 K HA 0.608 4.928 4.320 -0.000 0.000 0.260 309 K C -2.044 174.362 176.600 -0.324 0.000 0.949 309 K CA -0.976 55.098 56.287 -0.355 0.000 0.834 309 K CB 2.449 34.797 32.500 -0.254 0.000 1.365 309 K HN 0.440 nan 8.250 nan 0.000 0.437 310 L N 1.399 122.212 121.223 -0.683 0.000 2.298 310 L HA 0.419 4.759 4.340 -0.000 0.000 0.284 310 L C -0.959 175.833 176.870 -0.129 0.000 1.013 310 L CA -0.058 54.606 54.840 -0.293 0.000 0.824 310 L CB 1.452 43.345 42.059 -0.276 0.000 1.221 310 L HN 0.836 nan 8.230 nan 0.000 0.418 311 E N 4.775 125.012 120.200 0.061 0.000 2.191 311 E HA 0.544 4.894 4.350 -0.000 0.000 0.278 311 E C -1.135 175.508 176.600 0.071 0.000 0.972 311 E CA -0.417 56.024 56.400 0.069 0.000 0.804 311 E CB 1.343 31.151 29.700 0.179 0.000 1.110 311 E HN 0.579 nan 8.360 nan 0.000 0.394 312 I N 3.890 124.495 120.570 0.057 0.000 2.466 312 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 312 I C -0.899 175.222 176.117 0.006 0.000 1.026 312 I CA -0.986 60.335 61.300 0.036 0.000 1.078 312 I CB 1.859 39.918 38.000 0.098 0.000 1.249 312 I HN 0.225 nan 8.210 nan 0.000 0.429 313 V N 4.952 124.849 119.914 -0.027 0.000 2.384 313 V HA 0.351 4.471 4.120 -0.000 0.000 0.287 313 V C 0.126 176.197 176.094 -0.039 0.000 1.020 313 V CA -0.406 61.880 62.300 -0.023 0.000 0.850 313 V CB 1.654 33.470 31.823 -0.013 0.000 0.987 313 V HN 0.726 nan 8.190 nan 0.000 0.436 314 T N 3.957 118.508 114.554 -0.006 0.000 2.767 314 T HA 0.624 4.974 4.350 -0.000 0.000 0.284 314 T C 0.045 174.800 174.700 0.091 0.000 0.973 314 T CA -0.474 61.664 62.100 0.064 0.000 0.996 314 T CB 1.225 70.190 68.868 0.161 0.000 0.927 314 T HN 0.865 nan 8.240 nan 0.000 0.456 315 S N 2.217 117.967 115.700 0.083 0.000 2.588 315 S HA 0.710 5.180 4.470 -0.000 0.000 0.275 315 S C -1.185 173.500 174.600 0.142 0.000 1.130 315 S CA -1.155 57.098 58.200 0.088 0.000 0.855 315 S CB 2.215 65.438 63.200 0.039 0.000 1.116 315 S HN 0.613 nan 8.310 nan 0.000 0.472 316 K N 1.173 121.704 120.400 0.220 0.000 2.616 316 K HA 0.463 4.782 4.320 -0.000 0.000 0.241 316 K C 0.659 177.415 176.600 0.260 0.000 0.961 316 K CA -0.419 56.015 56.287 0.245 0.000 0.942 316 K CB 1.161 33.846 32.500 0.309 0.000 1.153 316 K HN 0.622 nan 8.250 nan 0.000 0.452 317 S N 1.924 117.714 115.700 0.151 0.000 2.404 317 S HA -0.173 4.297 4.470 -0.000 0.000 0.230 317 S C 1.147 175.814 174.600 0.112 0.000 1.046 317 S CA 1.903 60.175 58.200 0.121 0.000 1.135 317 S CB -0.210 63.031 63.200 0.070 0.000 1.056 317 S HN 0.801 nan 8.310 nan 0.000 0.426 318 G N 0.981 109.815 108.800 0.057 0.000 3.506 318 G HA2 0.527 4.487 3.960 -0.000 0.000 0.268 318 G HA3 0.527 4.487 3.960 -0.000 0.000 0.268 318 G C -0.077 174.775 174.900 -0.081 0.000 0.959 318 G CA 0.057 45.157 45.100 0.001 0.000 1.823 318 G HN 0.549 nan 8.290 nan 0.000 0.615 319 G N -0.189 108.489 108.800 -0.203 0.000 2.537 319 G HA2 0.683 4.643 3.960 -0.000 0.000 0.308 319 G HA3 0.683 4.643 3.960 -0.000 0.000 0.308 319 G C -0.728 173.586 174.900 -0.977 0.000 1.237 319 G CA -0.659 44.091 45.100 -0.584 0.000 0.968 319 G HN 0.465 nan 8.290 nan 0.000 0.481 320 Q N -0.824 118.455 119.800 -0.870 0.000 2.683 320 Q HA 0.661 5.001 4.340 -0.000 0.000 0.302 320 Q C -0.158 175.641 176.000 -0.335 0.000 1.042 320 Q CA -1.042 54.443 55.803 -0.531 0.000 0.773 320 Q CB 2.106 30.709 28.738 -0.224 0.000 1.508 320 Q HN 0.852 nan 8.270 nan 0.000 0.459 321 A N 0.078 122.870 122.820 -0.047 0.000 2.555 321 A HA 0.371 4.691 4.320 -0.000 0.000 0.233 321 A C 1.184 178.781 177.584 0.021 0.000 1.060 321 A CA 1.224 53.305 52.037 0.073 0.000 0.759 321 A CB -0.987 18.052 19.000 0.064 0.000 0.995 321 A HN 1.138 nan 8.150 nan 0.000 0.506 322 G N 1.510 110.345 108.800 0.059 0.000 2.253 322 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.251 322 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.251 322 G C -0.105 174.810 174.900 0.024 0.000 0.998 322 G CA 0.457 45.574 45.100 0.029 0.000 0.621 322 G HN 0.929 nan 8.290 nan 0.000 0.524 323 D N 1.553 121.966 120.400 0.022 0.000 2.389 323 D HA 0.462 5.102 4.640 -0.000 0.000 0.247 323 D C 0.524 176.869 176.300 0.075 0.000 1.128 323 D CA 0.243 54.258 54.000 0.025 0.000 0.884 323 D CB 0.651 41.438 40.800 -0.021 0.000 1.194 323 D HN 0.121 nan 8.370 nan 0.000 0.441 324 Q N 1.552 121.380 119.800 0.047 0.000 2.294 324 Q HA 0.291 4.631 4.340 -0.000 0.000 0.257 324 Q C -0.148 175.887 176.000 0.058 0.000 0.955 324 Q CA -0.071 55.749 55.803 0.028 0.000 0.936 324 Q CB 1.237 29.969 28.738 -0.009 0.000 1.188 324 Q HN 0.426 nan 8.270 nan 0.000 0.420 325 M N 1.857 121.492 119.600 0.059 0.000 2.157 325 M HA 0.388 4.868 4.480 -0.000 0.000 0.354 325 M C -0.047 176.271 176.300 0.030 0.000 1.170 325 M CA -0.354 55.032 55.300 0.143 0.000 1.060 325 M CB 1.486 34.245 32.600 0.265 0.000 1.615 325 M HN 0.625 nan 8.290 nan 0.000 0.460 326 S N 4.474 120.251 115.700 0.128 0.000 2.552 326 S HA 0.821 5.291 4.470 -0.000 0.000 0.272 326 S C -2.008 172.750 174.600 0.264 0.000 1.150 326 S CA -0.828 57.380 58.200 0.014 0.000 0.849 326 S CB 1.814 64.961 63.200 -0.088 0.000 1.113 326 S HN 0.971 nan 8.310 nan 0.000 0.458 327 W N 0.557 122.024 121.300 0.278 0.000 3.057 327 W HA 0.669 5.328 4.660 -0.000 0.000 0.328 327 W C -1.399 175.256 176.519 0.227 0.000 1.232 327 W CA -0.477 57.024 57.345 0.260 0.000 1.187 327 W CB 0.641 30.297 29.460 0.327 0.000 1.417 327 W HN 1.202 nan 8.180 nan 0.000 0.569 328 S N 1.171 117.284 115.700 0.690 0.000 2.536 328 S HA 0.902 5.372 4.470 -0.000 0.000 0.298 328 S C -0.885 173.996 174.600 0.468 0.000 1.083 328 S CA -0.340 58.159 58.200 0.498 0.000 0.995 328 S CB 2.137 65.497 63.200 0.266 0.000 1.058 328 S HN 1.269 nan 8.310 nan 0.000 0.488 329 A N 1.658 124.688 122.820 0.351 0.000 2.469 329 A HA 0.944 5.263 4.320 -0.000 0.000 0.299 329 A C -0.476 177.075 177.584 -0.056 0.000 1.098 329 A CA -0.819 51.145 52.037 -0.121 0.000 0.737 329 A CB 1.817 20.565 19.000 -0.420 0.000 1.312 329 A HN 0.952 nan 8.150 nan 0.000 0.414 330 S N -1.231 114.343 115.700 -0.209 0.000 2.533 330 S HA 0.882 5.352 4.470 -0.000 0.000 0.271 330 S C -0.367 174.142 174.600 -0.152 0.000 1.143 330 S CA 0.033 58.169 58.200 -0.106 0.000 0.891 330 S CB 2.037 65.200 63.200 -0.061 0.000 1.105 330 S HN 2.211 nan 8.310 nan 0.000 0.468 331 G N 0.924 109.663 108.800 -0.102 0.000 2.340 331 G HA2 0.502 4.462 3.960 -0.000 0.000 0.298 331 G HA3 0.502 4.462 3.960 -0.000 0.000 0.298 331 G C -1.794 173.037 174.900 -0.116 0.000 1.498 331 G CA -0.569 44.471 45.100 -0.100 0.000 0.847 331 G HN 0.686 nan 8.290 nan 0.000 0.594 332 S N -0.392 115.233 115.700 -0.126 0.000 2.548 332 S HA 0.755 5.225 4.470 -0.000 0.000 0.276 332 S C -0.316 174.162 174.600 -0.204 0.000 1.129 332 S CA -0.677 57.425 58.200 -0.164 0.000 0.931 332 S CB 1.404 64.536 63.200 -0.114 0.000 1.068 332 S HN 0.662 nan 8.310 nan 0.000 0.480 333 L N 1.580 122.636 121.223 -0.278 0.000 2.313 333 L HA 0.957 5.297 4.340 -0.000 0.000 0.268 333 L C -0.153 176.613 176.870 -0.173 0.000 1.010 333 L CA -1.150 53.506 54.840 -0.307 0.000 0.814 333 L CB 1.489 43.264 42.059 -0.473 0.000 1.304 333 L HN 0.714 nan 8.230 nan 0.000 0.441 334 A N 1.299 124.054 122.820 -0.110 0.000 2.332 334 A HA 0.693 5.013 4.320 -0.000 0.000 0.300 334 A C -0.866 176.712 177.584 -0.009 0.000 1.153 334 A CA -0.460 51.551 52.037 -0.043 0.000 0.764 334 A CB 1.345 20.331 19.000 -0.025 0.000 1.174 334 A HN 0.365 nan 8.150 nan 0.000 0.467 335 V N 2.757 122.695 119.914 0.039 0.000 2.350 335 V HA 0.438 4.558 4.120 -0.000 0.000 0.276 335 V C 0.149 176.285 176.094 0.069 0.000 1.028 335 V CA -0.180 62.166 62.300 0.076 0.000 0.860 335 V CB 1.207 33.112 31.823 0.137 0.000 0.990 335 V HN 0.853 nan 8.190 nan 0.000 0.453 336 T N 6.587 121.129 114.554 -0.020 0.000 2.756 336 T HA 0.507 4.857 4.350 -0.000 0.000 0.290 336 T C -0.159 174.384 174.700 -0.260 0.000 0.985 336 T CA -0.284 61.749 62.100 -0.111 0.000 0.955 336 T CB 0.629 69.433 68.868 -0.108 0.000 0.930 336 T HN 0.304 nan 8.240 nan 0.000 0.451 337 I N 4.036 124.505 120.570 -0.168 0.000 2.291 337 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 337 I C 0.610 176.628 176.117 -0.165 0.000 1.050 337 I CA -0.865 60.342 61.300 -0.154 0.000 1.245 337 I CB -0.239 37.759 38.000 -0.003 0.000 1.405 337 I HN 0.676 nan 8.210 nan 0.000 0.478 338 H N 4.746 123.836 119.070 0.034 0.000 3.107 338 H HA 0.243 4.799 4.556 -0.000 0.000 0.301 338 H C 1.428 176.764 175.328 0.014 0.000 0.981 338 H CA 1.032 57.092 56.048 0.020 0.000 1.443 338 H CB 0.380 30.151 29.762 0.015 0.000 1.479 338 H HN 0.958 nan 8.280 nan 0.000 0.564 339 G N 2.581 111.451 108.800 0.116 0.000 2.175 339 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.265 339 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.265 339 G C 1.582 176.524 174.900 0.070 0.000 0.979 339 G CA 0.579 45.722 45.100 0.071 0.000 0.663 339 G HN 0.918 nan 8.290 nan 0.000 0.533 340 G N 0.251 109.079 108.800 0.046 0.000 2.475 340 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 340 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 340 G C 1.306 176.227 174.900 0.035 0.000 1.125 340 G CA 1.390 46.511 45.100 0.036 0.000 0.755 340 G HN 0.532 nan 8.290 nan 0.000 0.565 341 N N -0.912 117.803 118.700 0.025 0.000 2.322 341 N HA 0.072 4.812 4.740 -0.000 0.000 0.194 341 N C -0.267 175.264 175.510 0.035 0.000 1.126 341 N CA -0.479 52.573 53.050 0.003 0.000 0.845 341 N CB -0.078 38.388 38.487 -0.035 0.000 0.976 341 N HN 0.445 nan 8.380 nan 0.000 0.475 342 Y N 2.648 122.922 120.300 -0.044 0.000 2.569 342 Y HA 0.161 4.711 4.550 -0.000 0.000 0.332 342 Y C -2.131 173.734 175.900 -0.058 0.000 1.120 342 Y CA -2.001 56.068 58.100 -0.052 0.000 1.416 342 Y CB 0.535 38.956 38.460 -0.065 0.000 1.210 342 Y HN -0.000 nan 8.280 nan 0.000 0.528 343 P HA 0.082 nan 4.420 nan 0.000 0.260 343 P C 0.464 177.680 177.300 -0.140 0.000 1.185 343 P CA 1.988 64.921 63.100 -0.279 0.000 0.763 343 P CB 0.390 31.872 31.700 -0.363 0.000 0.776 344 G N 3.128 111.936 108.800 0.013 0.000 2.259 344 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 344 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 344 G C 1.159 176.163 174.900 0.173 0.000 1.001 344 G CA 0.307 45.472 45.100 0.110 0.000 0.627 344 G HN 0.615 nan 8.290 nan 0.000 0.501 345 A N -0.227 122.681 122.820 0.145 0.000 1.929 345 A HA 0.563 4.883 4.320 -0.000 0.000 0.216 345 A C 2.241 179.940 177.584 0.192 0.000 1.176 345 A CA 1.967 54.059 52.037 0.092 0.000 0.628 345 A CB -0.193 18.842 19.000 0.058 0.000 0.816 345 A HN 0.857 nan 8.150 nan 0.000 0.444 346 L N -2.285 119.035 121.223 0.162 0.000 2.806 346 L HA 0.217 4.557 4.340 -0.000 0.000 0.242 346 L C 0.756 177.759 176.870 0.221 0.000 1.068 346 L CA -0.073 54.867 54.840 0.166 0.000 0.923 346 L CB 0.322 42.456 42.059 0.125 0.000 1.364 346 L HN 0.439 nan 8.230 nan 0.000 0.511 347 R N 0.692 121.284 120.500 0.153 0.000 2.807 347 R HA 0.590 4.930 4.340 -0.000 0.000 0.276 347 R C -2.958 173.396 176.300 0.091 0.000 0.979 347 R CA -1.698 54.467 56.100 0.110 0.000 0.928 347 R CB 1.583 31.887 30.300 0.006 0.000 1.191 347 R HN -0.288 nan 8.270 nan 0.000 0.471 348 P HA 0.255 nan 4.420 nan 0.000 0.293 348 P C -0.881 176.517 177.300 0.163 0.000 1.304 348 P CA -0.585 62.550 63.100 0.059 0.000 0.767 348 P CB 1.025 32.729 31.700 0.006 0.000 1.247 349 V N -0.666 119.347 119.914 0.165 0.000 2.760 349 V HA 0.337 4.457 4.120 -0.000 0.000 0.309 349 V C -0.266 175.895 176.094 0.113 0.000 1.077 349 V CA -0.293 62.098 62.300 0.151 0.000 0.910 349 V CB 2.178 34.113 31.823 0.186 0.000 1.008 349 V HN 0.528 nan 8.190 nan 0.000 0.424 350 T N 6.338 120.934 114.554 0.070 0.000 2.772 350 T HA 0.576 4.926 4.350 -0.000 0.000 0.288 350 T C -0.470 174.268 174.700 0.063 0.000 0.994 350 T CA -0.300 61.854 62.100 0.089 0.000 0.951 350 T CB 0.536 69.475 68.868 0.118 0.000 0.933 350 T HN 0.316 nan 8.240 nan 0.000 0.447 351 L N 3.543 124.770 121.223 0.006 0.000 2.307 351 L HA 0.647 4.987 4.340 -0.000 0.000 0.282 351 L C -0.401 176.474 176.870 0.008 0.000 1.051 351 L CA -1.034 53.771 54.840 -0.059 0.000 0.804 351 L CB 1.532 43.520 42.059 -0.119 0.000 1.197 351 L HN 0.313 nan 8.230 nan 0.000 0.431 352 V N 2.641 122.565 119.914 0.018 0.000 2.349 352 V HA 0.530 4.650 4.120 -0.000 0.000 0.284 352 V C 0.265 176.412 176.094 0.090 0.000 1.014 352 V CA -0.466 61.893 62.300 0.098 0.000 0.826 352 V CB 1.479 33.438 31.823 0.226 0.000 1.009 352 V HN 0.894 nan 8.190 nan 0.000 0.431 353 A N 5.474 128.341 122.820 0.077 0.000 2.312 353 A HA 0.944 5.264 4.320 -0.000 0.000 0.326 353 A C -0.956 176.822 177.584 0.323 0.000 1.172 353 A CA -0.449 51.656 52.037 0.113 0.000 0.821 353 A CB 0.956 20.006 19.000 0.084 0.000 1.166 353 A HN 1.027 nan 8.150 nan 0.000 0.493 354 Y N -0.354 120.136 120.300 0.318 0.000 2.545 354 Y HA 0.779 5.329 4.550 -0.000 0.000 0.348 354 Y C -0.470 175.506 175.900 0.126 0.000 1.002 354 Y CA -1.085 57.178 58.100 0.271 0.000 1.039 354 Y CB 1.294 39.849 38.460 0.159 0.000 1.271 354 Y HN 0.872 nan 8.280 nan 0.000 0.467 355 E N 0.860 121.132 120.200 0.119 0.000 2.412 355 E HA 0.592 4.942 4.350 -0.000 0.000 0.279 355 E C -0.734 175.836 176.600 -0.049 0.000 0.984 355 E CA -1.352 54.986 56.400 -0.103 0.000 0.788 355 E CB 1.454 30.839 29.700 -0.524 0.000 1.277 355 E HN 0.540 nan 8.360 nan 0.000 0.455 356 R N -0.966 119.510 120.500 -0.040 0.000 3.770 356 R HA -0.099 4.241 4.340 -0.000 0.000 0.305 356 R C -0.612 175.700 176.300 0.020 0.000 1.184 356 R CA 0.755 56.842 56.100 -0.023 0.000 0.823 356 R CB -3.098 27.172 30.300 -0.050 0.000 1.285 356 R HN 0.449 nan 8.270 nan 0.000 0.499 357 V N 0.925 120.881 119.914 0.070 0.000 2.546 357 V HA 0.565 4.685 4.120 -0.000 0.000 0.284 357 V C 1.409 177.517 176.094 0.023 0.000 1.050 357 V CA -0.465 61.859 62.300 0.041 0.000 0.981 357 V CB 1.725 33.560 31.823 0.020 0.000 0.990 357 V HN 0.407 nan 8.190 nan 0.000 0.474 358 A N 3.799 126.617 122.820 -0.004 0.000 2.567 358 A HA 0.276 4.596 4.320 -0.000 0.000 0.240 358 A C 0.816 178.397 177.584 -0.005 0.000 1.053 358 A CA 0.112 52.141 52.037 -0.013 0.000 0.755 358 A CB -0.410 18.570 19.000 -0.033 0.000 0.978 358 A HN 0.881 nan 8.150 nan 0.000 0.507 359 T N 1.997 116.552 114.554 0.001 0.000 2.934 359 T HA 0.402 4.752 4.350 -0.000 0.000 0.306 359 T C 1.580 176.278 174.700 -0.003 0.000 1.042 359 T CA 1.446 63.552 62.100 0.010 0.000 1.145 359 T CB 0.489 69.360 68.868 0.006 0.000 0.982 359 T HN 2.060 nan 8.240 nan 0.000 0.544 360 G N 2.820 111.623 108.800 0.006 0.000 2.195 360 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 360 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 360 G C 0.454 175.345 174.900 -0.015 0.000 0.984 360 G CA 0.095 45.192 45.100 -0.004 0.000 0.633 360 G HN 0.815 nan 8.290 nan 0.000 0.525 361 S N -0.918 114.767 115.700 -0.025 0.000 2.617 361 S HA 0.571 5.041 4.470 -0.000 0.000 0.259 361 S C 0.381 174.950 174.600 -0.052 0.000 1.301 361 S CA -0.034 58.141 58.200 -0.041 0.000 0.984 361 S CB 2.101 65.267 63.200 -0.057 0.000 0.954 361 S HN 0.759 nan 8.310 nan 0.000 0.572 362 V N 1.666 121.545 119.914 -0.059 0.000 2.417 362 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 362 V C -0.453 175.579 176.094 -0.103 0.000 1.024 362 V CA -0.599 61.661 62.300 -0.066 0.000 0.861 362 V CB 1.636 33.435 31.823 -0.039 0.000 0.985 362 V HN 0.624 nan 8.190 nan 0.000 0.436 363 V N 4.468 124.291 119.914 -0.151 0.000 2.350 363 V HA 0.369 4.489 4.120 -0.000 0.000 0.276 363 V C 0.369 176.397 176.094 -0.111 0.000 1.028 363 V CA -0.163 62.023 62.300 -0.191 0.000 0.860 363 V CB 1.896 33.501 31.823 -0.364 0.000 0.990 363 V HN 0.959 nan 8.190 nan 0.000 0.453 364 T N 5.187 119.707 114.554 -0.058 0.000 2.767 364 T HA 0.532 4.882 4.350 -0.000 0.000 0.288 364 T C -0.248 174.467 174.700 0.025 0.000 0.963 364 T CA -0.270 61.824 62.100 -0.011 0.000 1.019 364 T CB 1.463 70.326 68.868 -0.009 0.000 0.923 364 T HN 0.324 nan 8.240 nan 0.000 0.468 365 V N 2.693 122.652 119.914 0.076 0.000 2.459 365 V HA 0.817 4.937 4.120 -0.000 0.000 0.295 365 V C -0.127 176.035 176.094 0.112 0.000 1.029 365 V CA -0.763 61.617 62.300 0.133 0.000 0.874 365 V CB 1.407 33.375 31.823 0.242 0.000 0.985 365 V HN 1.071 nan 8.190 nan 0.000 0.438 366 A N 3.575 126.436 122.820 0.067 0.000 2.402 366 A HA 0.950 5.270 4.320 -0.000 0.000 0.291 366 A C -0.154 177.434 177.584 0.006 0.000 1.051 366 A CA 0.111 52.167 52.037 0.033 0.000 0.716 366 A CB 1.690 20.696 19.000 0.009 0.000 1.223 366 A HN 1.201 nan 8.150 nan 0.000 0.425 367 G N -0.304 108.504 108.800 0.014 0.000 0.000 367 G HA2 0.665 4.625 3.960 -0.000 0.000 0.000 367 G HA3 0.665 4.625 3.960 -0.000 0.000 0.000 367 G C -1.756 173.141 174.900 -0.004 0.000 0.000 367 G CA -0.520 44.566 45.100 -0.022 0.000 0.000 367 G HN 1.191 nan 8.290 nan 0.000 0.000 368 V N -0.039 119.856 119.914 -0.031 0.000 2.760 368 V HA 0.710 4.830 4.120 -0.000 0.000 0.309 368 V C -0.376 175.678 176.094 -0.066 0.000 1.077 368 V CA -0.732 61.555 62.300 -0.022 0.000 0.910 368 V CB 1.982 33.788 31.823 -0.028 0.000 1.008 368 V HN 0.744 nan 8.190 nan 0.000 0.424 369 S N 3.764 119.422 115.700 -0.070 0.000 2.502 369 S HA 0.567 5.037 4.470 -0.000 0.000 0.304 369 S C -0.678 173.653 174.600 -0.448 0.000 1.097 369 S CA -0.775 57.249 58.200 -0.293 0.000 1.045 369 S CB 1.100 64.174 63.200 -0.210 0.000 1.019 369 S HN 0.748 nan 8.310 nan 0.000 0.481 370 N N 2.107 120.458 118.700 -0.581 0.000 2.372 370 N HA 0.621 5.361 4.740 -0.000 0.000 0.291 370 N C -1.390 173.826 175.510 -0.490 0.000 1.024 370 N CA -0.188 52.651 53.050 -0.352 0.000 0.873 370 N CB 1.301 39.706 38.487 -0.137 0.000 1.206 370 N HN 0.388 nan 8.380 nan 0.000 0.486 371 F N -0.175 119.789 119.950 0.025 0.000 2.620 371 F HA 0.390 4.917 4.527 -0.000 0.000 0.320 371 F C 0.491 176.302 175.800 0.017 0.000 1.069 371 F CA -0.900 57.101 58.000 0.001 0.000 0.953 371 F CB 1.745 40.718 39.000 -0.044 0.000 1.322 371 F HN 0.116 nan 8.300 nan 0.000 0.479 372 E N 2.167 122.489 120.200 0.204 0.000 2.166 372 E HA 0.674 5.024 4.350 -0.000 0.000 0.275 372 E C -1.282 175.459 176.600 0.235 0.000 0.941 372 E CA -0.562 55.943 56.400 0.175 0.000 0.784 372 E CB 2.151 31.768 29.700 -0.139 0.000 1.115 372 E HN 0.415 nan 8.360 nan 0.000 0.399 373 L N 3.122 124.515 121.223 0.283 0.000 2.393 373 L HA 0.577 4.917 4.340 -0.000 0.000 0.260 373 L C -0.662 176.400 176.870 0.319 0.000 1.002 373 L CA -0.842 54.115 54.840 0.195 0.000 0.818 373 L CB 2.021 43.890 42.059 -0.316 0.000 1.369 373 L HN 0.424 nan 8.230 nan 0.000 0.412 374 I N 3.426 124.204 120.570 0.347 0.000 2.389 374 I HA 0.350 4.520 4.170 -0.000 0.000 0.288 374 I C -2.192 174.149 176.117 0.372 0.000 0.999 374 I CA -1.908 59.556 61.300 0.274 0.000 1.129 374 I CB 2.110 40.211 38.000 0.169 0.000 1.288 374 I HN 0.266 nan 8.210 nan 0.000 0.444 375 P HA 0.051 nan 4.420 nan 0.000 0.272 375 P C -0.961 176.354 177.300 0.026 0.000 1.230 375 P CA -0.347 62.823 63.100 0.116 0.000 0.788 375 P CB 0.514 32.227 31.700 0.021 0.000 0.949 376 N N 1.917 120.562 118.700 -0.091 0.000 2.317 376 N HA 0.087 4.827 4.740 -0.000 0.000 0.245 376 N C -1.971 173.512 175.510 -0.046 0.000 1.294 376 N CA -1.653 51.364 53.050 -0.056 0.000 0.924 376 N CB -1.590 36.842 38.487 -0.091 0.000 1.186 376 N HN 0.158 nan 8.380 nan 0.000 0.495 377 P HA -0.135 nan 4.420 nan 0.000 0.216 377 P C 0.978 178.257 177.300 -0.035 0.000 1.150 377 P CA 1.519 64.604 63.100 -0.024 0.000 0.843 377 P CB 0.184 31.873 31.700 -0.018 0.000 0.787 378 E N -0.973 119.198 120.200 -0.049 0.000 2.072 378 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 378 E C 1.761 178.325 176.600 -0.060 0.000 0.982 378 E CA 0.652 57.023 56.400 -0.049 0.000 0.803 378 E CB -1.033 28.637 29.700 -0.051 0.000 0.755 378 E HN -0.005 nan 8.360 nan 0.000 0.453 379 L N 0.015 121.183 121.223 -0.091 0.000 2.217 379 L HA 0.079 4.419 4.340 -0.000 0.000 0.211 379 L C 1.998 178.830 176.870 -0.064 0.000 1.107 379 L CA 1.581 56.358 54.840 -0.105 0.000 0.783 379 L CB -0.688 41.245 42.059 -0.209 0.000 0.919 379 L HN 0.170 nan 8.230 nan 0.000 0.442 380 A N -0.824 121.967 122.820 -0.049 0.000 2.076 380 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 380 A C 2.221 179.793 177.584 -0.020 0.000 1.160 380 A CA 1.637 53.660 52.037 -0.023 0.000 0.653 380 A CB -0.507 18.484 19.000 -0.014 0.000 0.801 380 A HN 0.487 nan 8.150 nan 0.000 0.455 381 K N -0.679 119.707 120.400 -0.024 0.000 2.362 381 K HA -0.027 4.293 4.320 -0.000 0.000 0.200 381 K C 0.431 177.022 176.600 -0.015 0.000 1.046 381 K CA 1.007 57.283 56.287 -0.018 0.000 0.952 381 K CB -0.007 32.481 32.500 -0.019 0.000 0.753 381 K HN 0.420 nan 8.250 nan 0.000 0.466 382 N N 0.028 118.718 118.700 -0.016 0.000 2.118 382 N HA 0.025 4.765 4.740 -0.000 0.000 0.226 382 N C -1.087 174.423 175.510 -0.001 0.000 1.305 382 N CA -0.059 52.986 53.050 -0.009 0.000 0.890 382 N CB 0.985 39.466 38.487 -0.011 0.000 1.118 382 N HN -0.000 nan 8.380 nan 0.000 0.511 383 L N 2.801 124.024 121.223 0.001 0.000 2.345 383 L HA 0.414 4.754 4.340 -0.000 0.000 0.274 383 L C -0.212 176.666 176.870 0.014 0.000 0.999 383 L CA -1.144 53.708 54.840 0.020 0.000 0.849 383 L CB 0.720 42.801 42.059 0.037 0.000 1.220 383 L HN -0.154 nan 8.230 nan 0.000 0.422 384 V N 2.533 122.452 119.914 0.008 0.000 2.715 384 V HA 0.683 4.803 4.120 -0.000 0.000 0.299 384 V C 0.567 176.647 176.094 -0.024 0.000 1.054 384 V CA -0.016 62.278 62.300 -0.011 0.000 1.077 384 V CB 0.508 32.323 31.823 -0.012 0.000 0.972 384 V HN 0.915 nan 8.190 nan 0.000 0.484 385 T N 1.432 115.950 114.554 -0.059 0.000 2.887 385 T HA 0.806 5.156 4.350 -0.000 0.000 0.288 385 T C -0.676 173.915 174.700 -0.182 0.000 1.021 385 T CA -0.773 61.261 62.100 -0.109 0.000 1.000 385 T CB 2.261 71.065 68.868 -0.107 0.000 1.034 385 T HN 0.895 nan 8.240 nan 0.000 0.467 386 E N 0.286 120.326 120.200 -0.267 0.000 2.449 386 E HA 0.282 4.632 4.350 -0.000 0.000 0.278 386 E C -0.458 175.934 176.600 -0.347 0.000 0.992 386 E CA -0.917 55.322 56.400 -0.268 0.000 0.807 386 E CB 1.490 31.109 29.700 -0.135 0.000 1.350 386 E HN 0.679 nan 8.360 nan 0.000 0.462 387 Y N 0.771 121.033 120.300 -0.064 0.000 2.395 387 Y HA 0.149 4.699 4.550 -0.000 0.000 0.293 387 Y C 1.188 177.126 175.900 0.063 0.000 1.123 387 Y CA 1.199 59.312 58.100 0.022 0.000 1.227 387 Y CB 0.582 39.062 38.460 0.034 0.000 1.012 387 Y HN 0.762 nan 8.280 nan 0.000 0.552 388 G N 1.070 109.951 108.800 0.135 0.000 2.907 388 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.686 388 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.686 388 G C -0.703 174.306 174.900 0.182 0.000 1.115 388 G CA -0.972 44.217 45.100 0.148 0.000 0.760 388 G HN 0.195 nan 8.290 nan 0.000 0.620 389 R N 0.002 120.590 120.500 0.148 0.000 2.489 389 R HA -0.015 4.324 4.340 -0.000 0.000 0.287 389 R C 0.461 176.882 176.300 0.202 0.000 0.902 389 R CA 0.310 56.499 56.100 0.148 0.000 1.136 389 R CB 0.012 30.373 30.300 0.102 0.000 0.872 389 R HN 0.577 nan 8.270 nan 0.000 0.421 390 F N 3.732 123.705 119.950 0.038 0.000 2.438 390 F HA 0.131 4.658 4.527 -0.000 0.000 0.356 390 F C -0.169 175.642 175.800 0.019 0.000 1.099 390 F CA -0.972 57.041 58.000 0.022 0.000 1.185 390 F CB 0.796 39.803 39.000 0.011 0.000 1.115 390 F HN 0.380 nan 8.300 nan 0.000 0.526 391 D N 8.549 128.676 120.400 -0.454 0.000 2.405 391 D HA 0.315 4.955 4.640 -0.000 0.000 0.264 391 D C -1.872 174.106 176.300 -0.537 0.000 1.240 391 D CA -1.928 51.806 54.000 -0.443 0.000 0.893 391 D CB 1.315 42.027 40.800 -0.146 0.000 1.198 391 D HN 0.219 nan 8.370 nan 0.000 0.514 392 P HA -0.117 nan 4.420 nan 0.000 0.219 392 P C 1.128 178.329 177.300 -0.165 0.000 1.158 392 P CA 1.404 64.203 63.100 -0.501 0.000 0.895 392 P CB 0.357 31.805 31.700 -0.420 0.000 0.792 393 G N -2.133 106.590 108.800 -0.128 0.000 3.337 393 G HA2 0.279 4.239 3.960 -0.000 0.000 0.246 393 G HA3 0.279 4.239 3.960 -0.000 0.000 0.246 393 G C 1.350 176.276 174.900 0.043 0.000 1.131 393 G CA 0.494 45.584 45.100 -0.017 0.000 0.773 393 G HN 0.332 nan 8.290 nan 0.000 0.544 394 A N 0.885 123.705 122.820 0.000 0.000 1.908 394 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 394 A C 2.179 179.836 177.584 0.122 0.000 1.181 394 A CA 2.101 54.185 52.037 0.079 0.000 0.627 394 A CB -0.251 18.771 19.000 0.036 0.000 0.818 394 A HN 0.411 nan 8.150 nan 0.000 0.445 395 M N 0.290 119.904 119.600 0.022 0.000 2.132 395 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 395 M C 1.437 177.783 176.300 0.077 0.000 1.065 395 M CA 1.733 57.033 55.300 0.001 0.000 1.122 395 M CB -0.723 31.846 32.600 -0.052 0.000 1.365 395 M HN 0.376 nan 8.290 nan 0.000 0.411 396 N N -0.933 117.819 118.700 0.087 0.000 2.166 396 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 396 N C 1.699 177.272 175.510 0.104 0.000 1.019 396 N CA 1.342 54.444 53.050 0.085 0.000 0.856 396 N CB -0.576 37.958 38.487 0.078 0.000 0.993 396 N HN 0.529 nan 8.380 nan 0.000 0.426 397 Y N 1.733 122.065 120.300 0.053 0.000 2.242 397 Y HA -0.130 4.419 4.550 -0.000 0.000 0.291 397 Y C 2.287 178.253 175.900 0.109 0.000 1.137 397 Y CA 1.436 59.579 58.100 0.072 0.000 1.181 397 Y CB -0.374 38.130 38.460 0.072 0.000 0.989 397 Y HN 0.010 nan 8.280 nan 0.000 0.527 398 T N 0.037 114.729 114.554 0.230 0.000 2.737 398 T HA -0.169 4.181 4.350 -0.000 0.000 0.265 398 T C 1.801 176.576 174.700 0.125 0.000 1.038 398 T CA 1.744 63.982 62.100 0.231 0.000 1.144 398 T CB -0.170 68.898 68.868 0.333 0.000 0.866 398 T HN 0.239 nan 8.240 nan 0.000 0.434 399 K N 0.464 120.921 120.400 0.095 0.000 2.057 399 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 399 K C 2.196 178.797 176.600 0.001 0.000 1.049 399 K CA 0.914 57.238 56.287 0.061 0.000 0.931 399 K CB -0.372 32.159 32.500 0.052 0.000 0.714 399 K HN 0.124 nan 8.250 nan 0.000 0.440 400 L N 1.431 122.620 121.223 -0.057 0.000 1.994 400 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 400 L C 1.887 178.683 176.870 -0.124 0.000 1.071 400 L CA 1.639 56.411 54.840 -0.113 0.000 0.745 400 L CB -0.473 41.465 42.059 -0.201 0.000 0.892 400 L HN 0.079 nan 8.230 nan 0.000 0.431 401 I N -0.252 120.216 120.570 -0.171 0.000 2.163 401 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 401 I C 2.623 178.735 176.117 -0.008 0.000 1.085 401 I CA 1.553 62.800 61.300 -0.087 0.000 1.347 401 I CB -1.392 36.593 38.000 -0.026 0.000 1.044 401 I HN 0.311 nan 8.210 nan 0.000 0.408 402 L N 0.587 121.822 121.223 0.020 0.000 2.083 402 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 402 L C 2.681 179.550 176.870 -0.001 0.000 1.083 402 L CA 1.563 56.419 54.840 0.026 0.000 0.752 402 L CB -0.712 41.379 42.059 0.055 0.000 0.899 402 L HN 0.337 nan 8.230 nan 0.000 0.433 403 S N -0.923 114.772 115.700 -0.008 0.000 2.423 403 S HA -0.109 4.360 4.470 -0.000 0.000 0.231 403 S C 1.476 176.063 174.600 -0.022 0.000 1.014 403 S CA 0.725 58.915 58.200 -0.016 0.000 0.965 403 S CB -0.159 63.031 63.200 -0.017 0.000 0.785 403 S HN 0.387 nan 8.310 nan 0.000 0.495 404 E N 0.973 121.158 120.200 -0.025 0.000 2.419 404 E HA 0.186 4.536 4.350 -0.000 0.000 0.190 404 E C 1.557 178.147 176.600 -0.017 0.000 1.040 404 E CA -0.257 56.130 56.400 -0.023 0.000 0.900 404 E CB -0.158 29.525 29.700 -0.028 0.000 1.054 404 E HN 0.536 nan 8.360 nan 0.000 0.462 405 R N 1.304 121.791 120.500 -0.020 0.000 2.113 405 R HA -0.228 4.112 4.340 -0.000 0.000 0.244 405 R C 1.096 177.365 176.300 -0.051 0.000 1.142 405 R CA 1.647 57.728 56.100 -0.031 0.000 0.953 405 R CB 0.297 30.571 30.300 -0.043 0.000 0.860 405 R HN 0.006 nan 8.270 nan 0.000 0.438 406 E N -0.249 119.921 120.200 -0.050 0.000 2.072 406 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 406 E C 2.013 178.589 176.600 -0.040 0.000 0.982 406 E CA 1.015 57.381 56.400 -0.056 0.000 0.803 406 E CB -0.206 29.465 29.700 -0.047 0.000 0.755 406 E HN 0.254 nan 8.360 nan 0.000 0.453 407 R N 0.058 120.543 120.500 -0.025 0.000 2.115 407 R HA -0.015 4.324 4.340 -0.000 0.000 0.230 407 R C 1.792 178.089 176.300 -0.005 0.000 1.111 407 R CA 0.889 56.980 56.100 -0.014 0.000 0.976 407 R CB -0.076 30.217 30.300 -0.011 0.000 0.870 407 R HN 0.201 nan 8.270 nan 0.000 0.445 408 L N -0.809 120.417 121.223 0.004 0.000 2.446 408 L HA 0.203 4.543 4.340 -0.000 0.000 0.219 408 L C 1.027 177.929 176.870 0.053 0.000 1.116 408 L CA 0.486 55.352 54.840 0.043 0.000 0.844 408 L CB 0.155 42.266 42.059 0.086 0.000 0.970 408 L HN 0.489 nan 8.230 nan 0.000 0.457 409 G N 1.634 110.419 108.800 -0.026 0.000 2.256 409 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.272 409 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.272 409 G C 0.051 174.795 174.900 -0.260 0.000 1.076 409 G CA -0.227 44.807 45.100 -0.110 0.000 0.882 409 G HN 0.301 nan 8.290 nan 0.000 0.497 410 I N 0.660 121.098 120.570 -0.220 0.000 2.308 410 I HA 0.226 4.396 4.170 -0.000 0.000 0.293 410 I C 0.871 176.704 176.117 -0.472 0.000 1.078 410 I CA -0.085 61.046 61.300 -0.282 0.000 1.292 410 I CB 0.516 38.481 38.000 -0.057 0.000 1.423 410 I HN 0.108 nan 8.210 nan 0.000 0.493 411 K N 3.436 123.219 120.400 -1.030 0.000 2.132 411 K HA 0.416 4.736 4.320 -0.000 0.000 0.241 411 K C 1.001 177.253 176.600 -0.581 0.000 1.000 411 K CA -0.600 55.084 56.287 -1.005 0.000 0.911 411 K CB 1.179 32.694 32.500 -1.642 0.000 1.093 411 K HN 0.551 nan 8.250 nan 0.000 0.460 412 T N -3.258 111.071 114.554 -0.375 0.000 3.015 412 T HA 0.085 4.435 4.350 -0.000 0.000 0.250 412 T C 0.577 175.213 174.700 -0.107 0.000 1.057 412 T CA -0.206 61.805 62.100 -0.149 0.000 1.066 412 T CB -0.068 68.739 68.868 -0.101 0.000 0.959 412 T HN 0.372 nan 8.240 nan 0.000 0.488 413 V N -1.437 118.345 119.914 -0.221 0.000 2.577 413 V HA 0.833 4.953 4.120 -0.000 0.000 0.303 413 V C -1.895 174.139 176.094 -0.099 0.000 1.042 413 V CA -1.678 60.585 62.300 -0.063 0.000 0.872 413 V CB 0.943 32.742 31.823 -0.040 0.000 0.998 413 V HN 0.370 nan 8.190 nan 0.000 0.423 414 W N 3.681 124.927 121.300 -0.091 0.000 2.950 414 W HA 0.767 5.427 4.660 -0.000 0.000 0.340 414 W C -2.724 173.795 176.519 0.000 0.000 1.139 414 W CA -2.473 54.850 57.345 -0.037 0.000 1.188 414 W CB 1.596 31.050 29.460 -0.009 0.000 1.426 414 W HN 0.330 nan 8.180 nan 0.000 0.531 415 P HA 0.099 nan 4.420 nan 0.000 0.282 415 P C 0.677 178.106 177.300 0.215 0.000 1.262 415 P CA 0.146 63.366 63.100 0.199 0.000 0.773 415 P CB 1.278 33.078 31.700 0.167 0.000 0.879 416 T N 2.683 117.325 114.554 0.146 0.000 2.721 416 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 416 T C 1.780 176.555 174.700 0.125 0.000 1.038 416 T CA 1.541 63.715 62.100 0.123 0.000 1.145 416 T CB -0.334 68.580 68.868 0.076 0.000 0.858 416 T HN 0.465 nan 8.240 nan 0.000 0.459 417 R N 0.800 121.368 120.500 0.113 0.000 2.105 417 R HA -0.090 4.250 4.340 -0.000 0.000 0.239 417 R C 2.419 178.786 176.300 0.112 0.000 1.135 417 R CA 1.500 57.656 56.100 0.093 0.000 0.967 417 R CB -0.080 30.271 30.300 0.085 0.000 0.861 417 R HN 0.484 nan 8.270 nan 0.000 0.442 418 E N -0.999 119.306 120.200 0.175 0.000 2.106 418 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 418 E C 1.607 178.325 176.600 0.196 0.000 0.984 418 E CA 1.091 57.636 56.400 0.242 0.000 0.806 418 E CB -0.123 29.794 29.700 0.360 0.000 0.750 418 E HN 0.374 nan 8.360 nan 0.000 0.458 419 Y N 1.559 121.810 120.300 -0.081 0.000 2.224 419 Y HA -0.201 4.349 4.550 0.000 0.000 0.289 419 Y C 2.317 178.081 175.900 -0.226 0.000 1.146 419 Y CA 1.727 59.491 58.100 -0.561 0.000 1.182 419 Y CB -0.421 37.554 38.460 -0.809 0.000 0.983 419 Y HN -0.080 nan 8.280 nan 0.000 0.524 420 T N 0.206 114.659 114.554 -0.168 0.000 2.746 420 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 420 T C 1.503 176.127 174.700 -0.127 0.000 1.039 420 T CA 1.615 63.613 62.100 -0.170 0.000 1.142 420 T CB -0.331 68.511 68.868 -0.043 0.000 0.866 420 T HN 0.398 nan 8.240 nan 0.000 0.444 421 D N 0.354 120.742 120.400 -0.019 0.000 2.117 421 D HA -0.054 4.585 4.640 -0.000 0.000 0.197 421 D C 1.776 178.120 176.300 0.072 0.000 0.987 421 D CA 0.774 54.801 54.000 0.045 0.000 0.829 421 D CB -0.306 40.567 40.800 0.121 0.000 0.961 421 D HN 0.357 nan 8.370 nan 0.000 0.460 422 F N 2.072 121.966 119.950 -0.094 0.000 2.161 422 F HA -0.140 4.387 4.527 0.000 0.000 0.300 422 F C 2.347 178.060 175.800 -0.145 0.000 1.089 422 F CA 1.301 59.249 58.000 -0.086 0.000 1.282 422 F CB 0.005 38.856 39.000 -0.248 0.000 1.010 422 F HN -0.221 nan 8.300 nan 0.000 0.485 423 R N 0.315 120.580 120.500 -0.391 0.000 2.081 423 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 423 R C 2.189 178.378 176.300 -0.185 0.000 1.131 423 R CA 1.901 57.760 56.100 -0.402 0.000 0.960 423 R CB -0.423 29.638 30.300 -0.399 0.000 0.856 423 R HN 0.446 nan 8.270 nan 0.000 0.436 424 E N -0.367 119.763 120.200 -0.117 0.000 2.031 424 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 424 E C 1.683 178.284 176.600 0.001 0.000 0.994 424 E CA 1.030 57.400 56.400 -0.051 0.000 0.800 424 E CB -0.215 29.453 29.700 -0.053 0.000 0.752 424 E HN 0.258 nan 8.360 nan 0.000 0.447 425 Y N -0.153 120.066 120.300 -0.135 0.000 2.556 425 Y HA -0.218 4.332 4.550 -0.000 0.000 0.290 425 Y C 1.695 177.500 175.900 -0.157 0.000 1.149 425 Y CA 0.818 58.844 58.100 -0.124 0.000 1.329 425 Y CB -0.163 38.240 38.460 -0.095 0.000 0.975 425 Y HN 0.080 nan 8.280 nan 0.000 0.561 426 F N -0.793 119.036 119.950 -0.201 0.000 2.343 426 F HA 0.046 4.573 4.527 0.000 0.000 0.286 426 F C 1.786 177.504 175.800 -0.136 0.000 1.057 426 F CA 0.709 58.553 58.000 -0.260 0.000 1.365 426 F CB -0.410 38.293 39.000 -0.495 0.000 1.114 426 F HN -0.179 nan 8.300 nan 0.000 0.545 427 M N 1.107 120.778 119.600 0.120 0.000 2.838 427 M HA -0.036 4.443 4.480 -0.000 0.000 0.228 427 M C -0.499 175.745 176.300 -0.093 0.000 1.023 427 M CA 1.060 56.376 55.300 0.026 0.000 1.072 427 M CB -0.782 31.853 32.600 0.060 0.000 1.566 427 M HN 0.211 nan 8.290 nan 0.000 0.556 428 E N 0.000 120.113 120.200 -0.144 0.000 2.725 428 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 428 E CA 0.000 56.333 56.400 -0.112 0.000 0.976 428 E CB 0.000 29.663 29.700 -0.061 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440