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 1lcp_1_B DATA FIRST_RESID 1 DATA SEQUENCE TKGLVLGIYS KEKEEDEPQF TSAGENFNKL VSGKLREILN ISGPPLKAGK DATA SEQUENCE TRTFYGLHED FPSVVVVGLG KKTAGIDEQE NWHEGKENIR AAVAAGCRQI DATA SEQUENCE QDLEIPSVEV DPCGDAQAAA EGAVLGLYEY DDLKQKRKVV VSAKLHGSED DATA SEQUENCE QEAWQRGVLF ASGQNLARRL METPANEMTP TKFAEIVEEN LKSASIKTDV DATA SEQUENCE FIRPKSWIEE QEMGSFLSVA KGSEEPPVFL EIHYKGSPNA SEPPLVFVGK DATA SEQUENCE GITFDSGGIS IKAAANMDLM RADMGGAATI CSAIVSAAKL DLPINIVGLA DATA SEQUENCE PLCENMPSGK ANKPGDVVRA RNGKTIQVDN TDAEGRLILA DALCYAHTFN DATA SEQUENCE PKVIINAATL TGAMDIALGS GATGVFTNSS WLWNKLFEAS IETGDRVWRM DATA SEQUENCE PLFEHYTRQV IDCQLADVNN IGKYRSAGAC TAAAFLKEFV THPKWAHLDI DATA SEQUENCE AGVMTNKDEV PYLRKGMAGR PTRTLIEFLF RFSQ 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.708 174.700 0.013 0.000 1.109 1 T CA 0.000 62.102 62.100 0.003 0.000 1.349 1 T CB 0.000 68.882 68.868 0.023 0.000 0.612 2 K N 0.024 120.435 120.400 0.019 0.000 2.422 2 K HA 0.732 5.052 4.320 0.001 0.000 0.251 2 K C -0.079 176.624 176.600 0.172 0.000 0.933 2 K CA -0.573 55.751 56.287 0.063 0.000 0.798 2 K CB 1.963 34.465 32.500 0.002 0.000 1.238 2 K HN 1.072 nan 8.250 nan 0.000 0.428 3 G N 1.883 110.785 108.800 0.170 0.000 2.509 3 G HA2 0.638 4.598 3.960 0.001 0.000 0.328 3 G HA3 0.638 4.598 3.960 0.001 0.000 0.328 3 G C -1.814 173.134 174.900 0.080 0.000 1.194 3 G CA -0.637 44.547 45.100 0.140 0.000 0.967 3 G HN 0.455 nan 8.290 nan 0.000 0.488 4 L N 0.414 121.542 121.223 -0.158 0.000 2.436 4 L HA 0.682 5.023 4.340 0.001 0.000 0.268 4 L C -0.959 175.659 176.870 -0.420 0.000 0.974 4 L CA -0.713 53.831 54.840 -0.493 0.000 0.826 4 L CB 2.334 43.702 42.059 -1.152 0.000 1.291 4 L HN 0.318 nan 8.230 nan 0.000 0.406 5 V N 6.226 125.917 119.914 -0.371 0.000 2.384 5 V HA 0.563 4.684 4.120 0.001 0.000 0.287 5 V C -0.241 175.667 176.094 -0.311 0.000 1.020 5 V CA -0.410 61.729 62.300 -0.268 0.000 0.850 5 V CB 1.481 33.215 31.823 -0.148 0.000 0.987 5 V HN 0.628 nan 8.190 nan 0.000 0.436 6 L N 3.859 124.918 121.223 -0.274 0.000 2.370 6 L HA 0.847 5.188 4.340 0.001 0.000 0.266 6 L C 0.531 177.332 176.870 -0.115 0.000 1.002 6 L CA -0.543 54.157 54.840 -0.233 0.000 0.818 6 L CB 2.270 44.145 42.059 -0.307 0.000 1.325 6 L HN 0.716 nan 8.230 nan 0.000 0.418 7 G N 1.581 110.323 108.800 -0.097 0.000 2.417 7 G HA2 0.746 4.707 3.960 0.001 0.000 0.334 7 G HA3 0.746 4.707 3.960 0.001 0.000 0.334 7 G C -1.427 173.417 174.900 -0.093 0.000 1.150 7 G CA -0.415 44.606 45.100 -0.130 0.000 0.923 7 G HN 0.525 nan 8.290 nan 0.000 0.485 8 I N 0.062 120.515 120.570 -0.195 0.000 2.722 8 I HA 0.517 4.688 4.170 0.001 0.000 0.295 8 I C -1.175 174.746 176.117 -0.326 0.000 1.161 8 I CA -1.090 60.078 61.300 -0.220 0.000 1.032 8 I CB 1.894 39.782 38.000 -0.187 0.000 1.244 8 I HN 0.475 nan 8.210 nan 0.000 0.421 9 Y N 3.459 123.733 120.300 -0.043 0.000 2.392 9 Y HA 0.397 4.948 4.550 0.001 0.000 0.323 9 Y C 0.900 176.769 175.900 -0.053 0.000 1.291 9 Y CA -0.386 57.693 58.100 -0.035 0.000 1.345 9 Y CB 1.033 39.479 38.460 -0.022 0.000 1.320 9 Y HN 0.535 nan 8.280 nan 0.000 0.518 10 S N 0.652 116.444 115.700 0.154 0.000 2.580 10 S HA 0.196 4.666 4.470 0.001 0.000 0.274 10 S C -0.338 174.292 174.600 0.050 0.000 1.329 10 S CA -1.119 57.119 58.200 0.064 0.000 1.036 10 S CB 0.709 63.941 63.200 0.053 0.000 0.919 10 S HN 0.593 nan 8.310 nan 0.000 0.515 11 K N 1.410 121.819 120.400 0.014 0.000 2.412 11 K HA 0.057 4.378 4.320 0.001 0.000 0.281 11 K C -0.135 176.466 176.600 0.001 0.000 1.027 11 K CA -0.083 56.205 56.287 0.001 0.000 0.989 11 K CB 0.331 32.824 32.500 -0.013 0.000 0.935 11 K HN 0.608 nan 8.250 nan 0.000 0.475 12 E N 3.303 123.500 120.200 -0.006 0.000 2.313 12 E HA 0.004 4.355 4.350 0.001 0.000 0.272 12 E C 0.562 177.156 176.600 -0.009 0.000 1.038 12 E CA -0.167 56.226 56.400 -0.011 0.000 0.863 12 E CB 1.557 31.244 29.700 -0.022 0.000 1.060 12 E HN 0.576 nan 8.360 nan 0.000 0.402 13 K N 1.681 122.077 120.400 -0.008 0.000 2.097 13 K HA -0.245 4.075 4.320 0.001 0.000 0.214 13 K C 1.249 177.845 176.600 -0.007 0.000 1.052 13 K CA 1.688 57.971 56.287 -0.006 0.000 0.932 13 K CB 0.219 32.716 32.500 -0.005 0.000 0.716 13 K HN 0.334 nan 8.250 nan 0.000 0.455 14 E N 0.762 120.957 120.200 -0.008 0.000 2.285 14 E HA -0.053 4.297 4.350 0.001 0.000 0.194 14 E C -0.008 176.587 176.600 -0.008 0.000 0.997 14 E CA 0.567 56.962 56.400 -0.008 0.000 0.845 14 E CB 0.044 29.739 29.700 -0.009 0.000 0.782 14 E HN 0.454 nan 8.360 nan 0.000 0.491 15 E N 1.165 121.359 120.200 -0.009 0.000 2.383 15 E HA -0.035 4.316 4.350 0.001 0.000 0.264 15 E C 0.731 177.326 176.600 -0.010 0.000 1.050 15 E CA -0.085 56.309 56.400 -0.009 0.000 0.896 15 E CB 0.832 30.525 29.700 -0.011 0.000 0.982 15 E HN 0.029 nan 8.360 nan 0.000 0.424 16 D N 2.476 122.871 120.400 -0.009 0.000 2.234 16 D HA -0.094 4.547 4.640 0.001 0.000 0.205 16 D C -0.159 176.131 176.300 -0.016 0.000 0.962 16 D CA 0.845 54.839 54.000 -0.010 0.000 0.855 16 D CB 0.564 41.360 40.800 -0.006 0.000 0.951 16 D HN 0.625 nan 8.370 nan 0.000 0.500 17 E N -0.182 120.003 120.200 -0.024 0.000 2.407 17 E HA 0.366 4.716 4.350 0.001 0.000 0.279 17 E C -2.927 173.636 176.600 -0.061 0.000 1.012 17 E CA -1.804 54.570 56.400 -0.044 0.000 0.800 17 E CB 1.581 31.252 29.700 -0.049 0.000 1.276 17 E HN -0.206 nan 8.360 nan 0.000 0.452 18 P HA -0.039 nan 4.420 nan 0.000 0.265 18 P C -0.775 176.426 177.300 -0.164 0.000 1.193 18 P CA 0.037 63.076 63.100 -0.102 0.000 0.765 18 P CB 0.608 32.234 31.700 -0.125 0.000 0.823 19 Q N 2.366 122.134 119.800 -0.053 0.000 2.256 19 Q HA 0.341 4.682 4.340 0.001 0.000 0.254 19 Q C 0.119 176.148 176.000 0.048 0.000 0.916 19 Q CA -0.477 55.326 55.803 -0.000 0.000 0.932 19 Q CB 0.372 29.169 28.738 0.099 0.000 1.207 19 Q HN 0.367 nan 8.270 nan 0.000 0.426 20 F N 0.737 120.740 119.950 0.089 0.000 2.435 20 F HA 0.080 4.607 4.527 0.001 0.000 0.316 20 F C 1.677 177.533 175.800 0.093 0.000 1.220 20 F CA -0.159 57.864 58.000 0.037 0.000 1.241 20 F CB 0.177 39.190 39.000 0.023 0.000 1.234 20 F HN 0.413 nan 8.300 nan 0.000 0.569 21 T N -2.424 112.284 114.554 0.257 0.000 2.732 21 T HA 0.085 4.436 4.350 0.001 0.000 0.287 21 T C 1.348 176.154 174.700 0.177 0.000 0.993 21 T CA -0.125 62.102 62.100 0.212 0.000 0.966 21 T CB 0.792 69.706 68.868 0.077 0.000 1.047 21 T HN 0.560 nan 8.240 nan 0.000 0.527 22 S N 0.157 115.938 115.700 0.136 0.000 2.370 22 S HA -0.131 4.339 4.470 0.001 0.000 0.226 22 S C 2.322 176.959 174.600 0.061 0.000 1.033 22 S CA 1.413 59.667 58.200 0.090 0.000 1.011 22 S CB -1.265 61.974 63.200 0.066 0.000 0.852 22 S HN 0.889 nan 8.310 nan 0.000 0.457 23 A N 0.682 123.536 122.820 0.056 0.000 1.930 23 A HA 0.176 4.497 4.320 0.001 0.000 0.217 23 A C 2.354 179.942 177.584 0.006 0.000 1.175 23 A CA 1.699 53.773 52.037 0.061 0.000 0.627 23 A CB -1.592 17.475 19.000 0.111 0.000 0.815 23 A HN 0.639 nan 8.150 nan 0.000 0.443 24 G N -0.507 108.264 108.800 -0.048 0.000 2.421 24 G HA2 -0.224 3.737 3.960 0.001 0.000 0.216 24 G HA3 -0.224 3.737 3.960 0.001 0.000 0.216 24 G C 1.473 176.160 174.900 -0.355 0.000 1.171 24 G CA 1.288 46.237 45.100 -0.253 0.000 0.775 24 G HN 0.530 nan 8.290 nan 0.000 0.543 25 E N 0.978 121.123 120.200 -0.091 0.000 2.106 25 E HA -0.057 4.294 4.350 0.001 0.000 0.192 25 E C 2.249 178.821 176.600 -0.046 0.000 0.984 25 E CA 1.278 57.659 56.400 -0.032 0.000 0.806 25 E CB -0.487 29.276 29.700 0.105 0.000 0.750 25 E HN 0.609 nan 8.360 nan 0.000 0.458 26 N N -1.111 117.582 118.700 -0.012 0.000 2.120 26 N HA -0.149 4.592 4.740 0.001 0.000 0.188 26 N C 1.521 177.019 175.510 -0.019 0.000 1.024 26 N CA 1.010 54.058 53.050 -0.004 0.000 0.852 26 N CB -0.254 38.246 38.487 0.022 0.000 1.003 26 N HN 0.133 nan 8.380 nan 0.000 0.424 27 F N 2.088 121.944 119.950 -0.156 0.000 2.146 27 F HA -0.110 4.418 4.527 0.001 0.000 0.298 27 F C 2.174 177.858 175.800 -0.193 0.000 1.096 27 F CA 1.135 59.023 58.000 -0.187 0.000 1.275 27 F CB -0.331 38.503 39.000 -0.276 0.000 1.008 27 F HN -0.029 nan 8.300 nan 0.000 0.480 28 N N 0.507 119.098 118.700 -0.182 0.000 2.104 28 N HA -0.212 4.528 4.740 0.001 0.000 0.190 28 N C 1.678 177.078 175.510 -0.183 0.000 1.024 28 N CA 1.828 54.750 53.050 -0.214 0.000 0.853 28 N CB -0.185 38.177 38.487 -0.208 0.000 1.008 28 N HN 0.294 nan 8.380 nan 0.000 0.424 29 K N -0.387 119.930 120.400 -0.140 0.000 2.097 29 K HA -0.089 4.232 4.320 0.001 0.000 0.205 29 K C 1.858 178.375 176.600 -0.139 0.000 1.050 29 K CA 0.885 57.110 56.287 -0.103 0.000 0.938 29 K CB -0.269 32.194 32.500 -0.061 0.000 0.718 29 K HN 0.153 nan 8.250 nan 0.000 0.442 30 L N 1.192 122.290 121.223 -0.208 0.000 2.079 30 L HA -0.122 4.219 4.340 0.001 0.000 0.210 30 L C 1.562 178.295 176.870 -0.229 0.000 1.081 30 L CA 1.459 56.164 54.840 -0.225 0.000 0.752 30 L CB -0.129 41.733 42.059 -0.327 0.000 0.896 30 L HN 0.065 nan 8.230 nan 0.000 0.433 31 V N -3.568 116.146 119.914 -0.334 0.000 3.252 31 V HA 0.326 4.447 4.120 0.001 0.000 0.350 31 V C 0.953 176.967 176.094 -0.133 0.000 1.329 31 V CA 0.144 62.306 62.300 -0.230 0.000 1.258 31 V CB -1.108 30.526 31.823 -0.314 0.000 1.208 31 V HN 0.452 nan 8.190 nan 0.000 0.462 32 S N 1.016 116.652 115.700 -0.108 0.000 3.549 32 S HA -0.175 4.295 4.470 0.001 0.000 0.366 32 S C 1.573 176.140 174.600 -0.056 0.000 1.012 32 S CA 1.489 59.649 58.200 -0.067 0.000 1.141 32 S CB -1.783 61.388 63.200 -0.048 0.000 0.910 32 S HN 2.412 nan 8.310 nan 0.000 0.471 33 G N 0.077 108.837 108.800 -0.065 0.000 2.179 33 G HA2 -0.371 3.589 3.960 0.001 0.000 0.260 33 G HA3 -0.371 3.589 3.960 0.001 0.000 0.260 33 G C 0.691 175.566 174.900 -0.041 0.000 0.977 33 G CA 0.864 45.941 45.100 -0.038 0.000 0.641 33 G HN 0.616 nan 8.290 nan 0.000 0.533 34 K N -0.674 119.689 120.400 -0.061 0.000 2.147 34 K HA 0.121 4.441 4.320 0.001 0.000 0.205 34 K C 2.421 178.971 176.600 -0.082 0.000 1.049 34 K CA 1.374 57.626 56.287 -0.058 0.000 0.936 34 K CB -0.143 32.330 32.500 -0.046 0.000 0.722 34 K HN 0.380 nan 8.250 nan 0.000 0.446 35 L N 1.189 122.367 121.223 -0.076 0.000 2.027 35 L HA -0.130 4.211 4.340 0.001 0.000 0.206 35 L C 2.300 179.141 176.870 -0.049 0.000 1.074 35 L CA 1.688 56.472 54.840 -0.094 0.000 0.745 35 L CB -0.399 41.620 42.059 -0.067 0.000 0.898 35 L HN -0.050 nan 8.230 nan 0.000 0.433 36 R N 0.124 120.668 120.500 0.075 0.000 2.081 36 R HA -0.203 4.137 4.340 0.001 0.000 0.235 36 R C 2.285 178.591 176.300 0.009 0.000 1.131 36 R CA 2.019 58.212 56.100 0.155 0.000 0.960 36 R CB -0.623 29.787 30.300 0.182 0.000 0.856 36 R HN 0.642 nan 8.270 nan 0.000 0.436 37 E N -0.532 119.651 120.200 -0.029 0.000 2.051 37 E HA -0.206 4.144 4.350 0.001 0.000 0.192 37 E C 1.787 178.331 176.600 -0.093 0.000 0.991 37 E CA 1.541 57.913 56.400 -0.047 0.000 0.799 37 E CB -0.205 29.472 29.700 -0.039 0.000 0.748 37 E HN 0.352 nan 8.360 nan 0.000 0.449 38 I N 0.687 121.147 120.570 -0.184 0.000 2.315 38 I HA -0.190 3.980 4.170 0.001 0.000 0.248 38 I C 2.192 178.088 176.117 -0.368 0.000 1.117 38 I CA 0.656 61.784 61.300 -0.286 0.000 1.404 38 I CB -0.228 37.525 38.000 -0.411 0.000 1.071 38 I HN 0.251 nan 8.210 nan 0.000 0.419 39 L N 0.699 121.664 121.223 -0.430 0.000 2.046 39 L HA -0.208 4.132 4.340 0.001 0.000 0.208 39 L C 2.145 179.006 176.870 -0.016 0.000 1.077 39 L CA 1.846 56.581 54.840 -0.174 0.000 0.747 39 L CB -1.139 40.903 42.059 -0.028 0.000 0.896 39 L HN 0.253 nan 8.230 nan 0.000 0.432 40 N N 0.028 118.706 118.700 -0.036 0.000 2.120 40 N HA -0.152 4.588 4.740 0.001 0.000 0.188 40 N C 1.949 177.464 175.510 0.008 0.000 1.024 40 N CA 1.993 55.038 53.050 -0.009 0.000 0.852 40 N CB -0.329 38.150 38.487 -0.013 0.000 1.003 40 N HN 0.435 nan 8.380 nan 0.000 0.424 41 I N 0.945 121.516 120.570 0.001 0.000 2.361 41 I HA -0.218 3.953 4.170 0.001 0.000 0.251 41 I C 2.017 178.169 176.117 0.059 0.000 1.133 41 I CA 0.955 62.269 61.300 0.023 0.000 1.413 41 I CB -0.320 37.690 38.000 0.016 0.000 1.073 41 I HN 0.152 nan 8.210 nan 0.000 0.424 42 S N 0.038 115.796 115.700 0.097 0.000 2.507 42 S HA 0.157 4.628 4.470 0.001 0.000 0.235 42 S C 1.199 175.861 174.600 0.103 0.000 0.988 42 S CA 0.432 58.724 58.200 0.155 0.000 0.944 42 S CB -0.268 63.129 63.200 0.327 0.000 0.762 42 S HN 0.666 nan 8.310 nan 0.000 0.526 43 G N 1.867 110.710 108.800 0.071 0.000 2.545 43 G HA2 -0.051 3.909 3.960 0.001 0.000 0.211 43 G HA3 -0.051 3.909 3.960 0.001 0.000 0.211 43 G C -2.750 172.173 174.900 0.039 0.000 1.167 43 G CA -0.473 44.656 45.100 0.049 0.000 1.151 43 G HN 0.528 nan 8.290 nan 0.000 0.581 44 P HA 0.339 nan 4.420 nan 0.000 0.267 44 P C -2.320 174.992 177.300 0.021 0.000 1.200 44 P CA -0.461 62.651 63.100 0.021 0.000 0.772 44 P CB 0.080 31.791 31.700 0.017 0.000 0.855 45 P HA 0.148 nan 4.420 nan 0.000 0.269 45 P C -0.238 177.063 177.300 0.001 0.000 1.215 45 P CA -0.082 63.017 63.100 -0.002 0.000 0.780 45 P CB 0.743 32.435 31.700 -0.014 0.000 0.898 46 L N 2.529 123.750 121.223 -0.004 0.000 2.313 46 L HA 0.194 4.535 4.340 0.001 0.000 0.282 46 L C 1.237 178.100 176.870 -0.010 0.000 1.092 46 L CA -0.120 54.716 54.840 -0.006 0.000 0.831 46 L CB 0.115 42.170 42.059 -0.007 0.000 1.159 46 L HN 0.303 nan 8.230 nan 0.000 0.442 47 K N 2.299 122.696 120.400 -0.004 0.000 2.109 47 K HA 0.555 4.876 4.320 0.001 0.000 0.243 47 K C 0.052 176.652 176.600 0.000 0.000 1.006 47 K CA -0.865 55.423 56.287 0.002 0.000 0.917 47 K CB 0.942 33.447 32.500 0.008 0.000 1.081 47 K HN 0.626 nan 8.250 nan 0.000 0.468 48 A N 0.562 123.388 122.820 0.010 0.000 2.580 48 A HA 0.263 4.584 4.320 0.001 0.000 0.244 48 A C 1.184 178.770 177.584 0.004 0.000 1.045 48 A CA 1.128 53.171 52.037 0.009 0.000 0.761 48 A CB -1.256 17.757 19.000 0.023 0.000 0.962 48 A HN 0.914 nan 8.150 nan 0.000 0.512 49 G N 1.876 110.673 108.800 -0.006 0.000 2.205 49 G HA2 -0.233 3.727 3.960 0.001 0.000 0.261 49 G HA3 -0.233 3.727 3.960 0.001 0.000 0.261 49 G C 0.337 175.231 174.900 -0.010 0.000 0.980 49 G CA 0.733 45.831 45.100 -0.004 0.000 0.632 49 G HN 0.797 nan 8.290 nan 0.000 0.533 50 K N 0.959 121.349 120.400 -0.016 0.000 2.087 50 K HA 0.718 5.038 4.320 0.001 0.000 0.255 50 K C 0.583 177.159 176.600 -0.039 0.000 0.988 50 K CA 0.418 56.692 56.287 -0.022 0.000 0.915 50 K CB 1.364 33.854 32.500 -0.017 0.000 1.043 50 K HN 0.660 nan 8.250 nan 0.000 0.457 51 T N -1.723 112.798 114.554 -0.054 0.000 2.883 51 T HA 0.702 5.052 4.350 0.001 0.000 0.296 51 T C -0.815 173.808 174.700 -0.128 0.000 1.117 51 T CA -1.014 61.034 62.100 -0.086 0.000 1.006 51 T CB 2.435 71.249 68.868 -0.092 0.000 1.191 51 T HN 0.556 nan 8.240 nan 0.000 0.508 52 R N 0.301 120.674 120.500 -0.212 0.000 2.566 52 R HA 0.582 4.922 4.340 0.001 0.000 0.271 52 R C -1.444 174.460 176.300 -0.660 0.000 1.071 52 R CA -0.479 55.392 56.100 -0.381 0.000 0.915 52 R CB 2.298 32.393 30.300 -0.341 0.000 1.228 52 R HN 0.869 nan 8.270 nan 0.000 0.449 53 T N 3.949 118.056 114.554 -0.745 0.000 2.794 53 T HA 0.549 4.900 4.350 0.001 0.000 0.280 53 T C -1.128 172.920 174.700 -1.087 0.000 0.987 53 T CA -0.216 61.394 62.100 -0.817 0.000 0.993 53 T CB 0.510 69.020 68.868 -0.596 0.000 0.939 53 T HN 0.220 nan 8.240 nan 0.000 0.449 54 F N 2.192 121.893 119.950 -0.415 0.000 2.493 54 F HA 0.548 5.076 4.527 0.001 0.000 0.329 54 F C -0.479 175.121 175.800 -0.334 0.000 1.126 54 F CA -1.415 56.414 58.000 -0.285 0.000 0.937 54 F CB 1.053 39.999 39.000 -0.090 0.000 1.146 54 F HN 0.481 nan 8.300 nan 0.000 0.442 55 Y N -0.142 120.284 120.300 0.210 0.000 2.419 55 Y HA 0.534 5.084 4.550 0.001 0.000 0.328 55 Y C 1.106 177.095 175.900 0.148 0.000 1.162 55 Y CA -0.972 57.214 58.100 0.144 0.000 1.174 55 Y CB 1.696 40.210 38.460 0.090 0.000 1.228 55 Y HN 0.839 nan 8.280 nan 0.000 0.473 56 G N 1.297 110.281 108.800 0.307 0.000 2.203 56 G HA2 -0.294 3.666 3.960 0.001 0.000 0.263 56 G HA3 -0.294 3.666 3.960 0.001 0.000 0.263 56 G C 0.682 175.698 174.900 0.193 0.000 1.012 56 G CA 0.724 45.951 45.100 0.212 0.000 0.749 56 G HN 0.694 nan 8.290 nan 0.000 0.512 57 L N -1.287 120.087 121.223 0.250 0.000 2.141 57 L HA 0.149 4.489 4.340 0.001 0.000 0.209 57 L C 1.369 178.403 176.870 0.274 0.000 1.094 57 L CA 1.144 56.133 54.840 0.249 0.000 0.763 57 L CB -0.039 42.224 42.059 0.340 0.000 0.908 57 L HN 0.535 nan 8.230 nan 0.000 0.437 58 H N -1.156 118.059 119.070 0.242 0.000 2.996 58 H HA 0.061 4.617 4.556 0.001 0.000 0.368 58 H C 0.020 175.445 175.328 0.162 0.000 1.185 58 H CA -0.365 55.803 56.048 0.199 0.000 1.160 58 H CB 2.018 31.986 29.762 0.342 0.000 1.820 58 H HN -0.025 nan 8.280 nan 0.000 0.547 59 E N 2.006 122.049 120.200 -0.261 0.000 2.118 59 E HA -0.183 4.167 4.350 0.001 0.000 0.195 59 E C 0.165 176.766 176.600 0.002 0.000 0.992 59 E CA 1.716 58.046 56.400 -0.118 0.000 0.804 59 E CB 0.304 29.881 29.700 -0.205 0.000 0.741 59 E HN 0.526 nan 8.360 nan 0.000 0.458 60 D N -0.941 119.539 120.400 0.135 0.000 2.347 60 D HA -0.026 4.615 4.640 0.001 0.000 0.213 60 D C -0.398 175.642 176.300 -0.432 0.000 0.985 60 D CA 0.591 54.495 54.000 -0.160 0.000 0.879 60 D CB 0.172 40.793 40.800 -0.298 0.000 0.919 60 D HN 0.127 nan 8.370 nan 0.000 0.526 61 F N 0.632 120.733 119.950 0.251 0.000 2.660 61 F HA 0.257 4.784 4.527 0.001 0.000 0.352 61 F C -1.653 174.234 175.800 0.146 0.000 1.257 61 F CA -2.058 56.027 58.000 0.141 0.000 1.200 61 F CB 1.724 40.770 39.000 0.076 0.000 1.473 61 F HN -0.228 nan 8.300 nan 0.000 0.561 62 P HA -0.087 nan 4.420 nan 0.000 0.221 62 P C -0.001 177.465 177.300 0.276 0.000 1.145 62 P CA 0.936 64.172 63.100 0.226 0.000 0.795 62 P CB 0.495 32.290 31.700 0.158 0.000 0.775 63 S N -0.487 115.341 115.700 0.214 0.000 2.647 63 S HA 0.426 4.897 4.470 0.001 0.000 0.300 63 S C -0.610 173.975 174.600 -0.025 0.000 1.129 63 S CA -0.551 57.704 58.200 0.092 0.000 1.029 63 S CB 2.202 65.478 63.200 0.126 0.000 1.007 63 S HN -0.262 nan 8.310 nan 0.000 0.484 64 V N 3.867 123.704 119.914 -0.128 0.000 2.444 64 V HA 0.476 4.596 4.120 0.001 0.000 0.294 64 V C -0.559 175.397 176.094 -0.229 0.000 1.022 64 V CA -0.642 61.532 62.300 -0.211 0.000 0.850 64 V CB 1.830 33.528 31.823 -0.208 0.000 0.992 64 V HN 0.682 nan 8.190 nan 0.000 0.426 65 V N 6.009 125.779 119.914 -0.240 0.000 2.347 65 V HA 0.408 4.528 4.120 0.001 0.000 0.280 65 V C 0.000 175.992 176.094 -0.171 0.000 1.021 65 V CA -0.600 61.563 62.300 -0.227 0.000 0.847 65 V CB 1.709 33.420 31.823 -0.187 0.000 0.990 65 V HN 0.596 nan 8.190 nan 0.000 0.444 66 V N 6.233 126.079 119.914 -0.114 0.000 2.465 66 V HA 0.503 4.623 4.120 0.001 0.000 0.279 66 V C 0.069 176.135 176.094 -0.047 0.000 1.045 66 V CA -0.377 61.918 62.300 -0.009 0.000 0.938 66 V CB 1.734 33.680 31.823 0.205 0.000 0.986 66 V HN 0.753 nan 8.190 nan 0.000 0.467 67 V N 2.032 121.915 119.914 -0.052 0.000 2.604 67 V HA 0.926 5.046 4.120 0.001 0.000 0.305 67 V C 0.394 176.445 176.094 -0.070 0.000 1.043 67 V CA -0.569 61.693 62.300 -0.064 0.000 0.888 67 V CB 1.511 33.290 31.823 -0.073 0.000 0.995 67 V HN 0.887 nan 8.190 nan 0.000 0.429 68 G N 3.082 111.848 108.800 -0.057 0.000 2.364 68 G HA2 0.477 4.438 3.960 0.001 0.000 0.267 68 G HA3 0.477 4.438 3.960 0.001 0.000 0.267 68 G C 0.214 175.074 174.900 -0.067 0.000 1.233 68 G CA -0.524 44.540 45.100 -0.060 0.000 0.885 68 G HN 0.920 nan 8.290 nan 0.000 0.490 69 L N 2.445 123.607 121.223 -0.102 0.000 2.585 69 L HA 0.285 4.626 4.340 0.001 0.000 0.226 69 L C 1.725 178.635 176.870 0.067 0.000 1.113 69 L CA 0.532 55.333 54.840 -0.066 0.000 0.876 69 L CB -0.604 41.305 42.059 -0.249 0.000 1.072 69 L HN 0.927 nan 8.230 nan 0.000 0.468 70 G N 1.185 110.033 108.800 0.079 0.000 2.584 70 G HA2 -0.309 3.651 3.960 0.001 0.000 0.229 70 G HA3 -0.309 3.651 3.960 0.001 0.000 0.229 70 G C -0.220 174.784 174.900 0.174 0.000 1.320 70 G CA -0.314 44.846 45.100 0.101 0.000 0.891 70 G HN 0.185 nan 8.290 nan 0.000 0.573 71 K N 0.888 121.351 120.400 0.106 0.000 2.379 71 K HA 0.253 4.574 4.320 0.001 0.000 0.284 71 K C 1.685 178.299 176.600 0.022 0.000 1.044 71 K CA 0.431 56.752 56.287 0.056 0.000 0.974 71 K CB 0.664 33.174 32.500 0.016 0.000 0.962 71 K HN 0.634 nan 8.250 nan 0.000 0.474 72 K N 1.996 122.291 120.400 -0.175 0.000 2.044 72 K HA -0.140 4.180 4.320 0.001 0.000 0.210 72 K C 1.049 177.515 176.600 -0.224 0.000 1.049 72 K CA 2.132 58.103 56.287 -0.525 0.000 0.927 72 K CB -0.040 31.850 32.500 -1.017 0.000 0.713 72 K HN 0.785 nan 8.250 nan 0.000 0.443 73 T N -1.414 113.050 114.554 -0.150 0.000 3.278 73 T HA 0.376 4.727 4.350 0.001 0.000 0.251 73 T C 0.204 174.871 174.700 -0.056 0.000 1.039 73 T CA -0.157 61.892 62.100 -0.085 0.000 0.935 73 T CB 0.289 69.111 68.868 -0.077 0.000 1.034 73 T HN 0.242 nan 8.240 nan 0.000 0.575 74 A N 0.807 123.603 122.820 -0.041 0.000 2.515 74 A HA 0.628 4.949 4.320 0.001 0.000 0.263 74 A C 1.029 178.518 177.584 -0.159 0.000 1.096 74 A CA -0.093 51.910 52.037 -0.056 0.000 0.769 74 A CB -0.246 18.744 19.000 -0.016 0.000 1.040 74 A HN 0.607 nan 8.150 nan 0.000 0.505 75 G N 1.333 109.993 108.800 -0.234 0.000 3.194 75 G HA2 0.502 4.462 3.960 0.001 0.000 0.160 75 G HA3 0.502 4.462 3.960 0.001 0.000 0.160 75 G C -0.024 174.571 174.900 -0.508 0.000 1.267 75 G CA -0.917 43.879 45.100 -0.507 0.000 0.962 75 G HN 0.682 nan 8.290 nan 0.000 0.612 76 I N 1.676 122.061 120.570 -0.309 0.000 2.598 76 I HA 0.057 4.227 4.170 0.001 0.000 0.284 76 I C -0.417 175.697 176.117 -0.005 0.000 1.140 76 I CA -0.023 61.216 61.300 -0.102 0.000 1.420 76 I CB 0.868 38.856 38.000 -0.020 0.000 1.387 76 I HN 0.217 nan 8.210 nan 0.000 0.553 77 D N 7.399 127.856 120.400 0.095 0.000 2.380 77 D HA 0.038 4.678 4.640 0.001 0.000 0.230 77 D C 0.956 177.302 176.300 0.076 0.000 1.154 77 D CA -0.259 53.804 54.000 0.106 0.000 0.859 77 D CB 1.034 41.958 40.800 0.206 0.000 1.045 77 D HN 0.385 nan 8.370 nan 0.000 0.495 78 E N 2.572 122.807 120.200 0.058 0.000 2.265 78 E HA -0.163 4.187 4.350 0.001 0.000 0.196 78 E C 1.276 177.917 176.600 0.068 0.000 0.996 78 E CA 0.835 57.275 56.400 0.067 0.000 0.832 78 E CB 0.225 29.960 29.700 0.059 0.000 0.756 78 E HN 0.601 nan 8.360 nan 0.000 0.491 79 Q N 0.060 119.884 119.800 0.041 0.000 2.302 79 Q HA 0.010 4.350 4.340 0.001 0.000 0.202 79 Q C 1.455 177.437 176.000 -0.031 0.000 0.936 79 Q CA 0.639 56.455 55.803 0.022 0.000 0.886 79 Q CB 0.370 29.114 28.738 0.010 0.000 0.986 79 Q HN 0.330 nan 8.270 nan 0.000 0.487 80 E N 0.461 120.594 120.200 -0.111 0.000 2.476 80 E HA 0.074 4.425 4.350 0.001 0.000 0.199 80 E C -0.381 175.980 176.600 -0.398 0.000 1.021 80 E CA -0.161 56.005 56.400 -0.390 0.000 0.907 80 E CB 0.088 29.370 29.700 -0.695 0.000 0.974 80 E HN 0.425 nan 8.360 nan 0.000 0.489 81 N N 0.978 119.627 118.700 -0.086 0.000 2.738 81 N HA -0.172 4.569 4.740 0.001 0.000 0.249 81 N C -1.039 174.491 175.510 0.033 0.000 1.047 81 N CA 0.665 53.729 53.050 0.024 0.000 0.707 81 N CB -1.079 37.547 38.487 0.231 0.000 0.937 81 N HN 0.269 nan 8.380 nan 0.000 0.545 82 W N -1.168 120.135 121.300 0.005 0.000 3.066 82 W HA 0.450 5.110 4.660 0.000 0.000 0.330 82 W C -0.910 175.625 176.519 0.027 0.000 1.253 82 W CA -1.632 55.717 57.345 0.007 0.000 1.187 82 W CB 0.099 29.586 29.460 0.045 0.000 1.434 82 W HN 0.076 nan 8.180 nan 0.000 0.572 83 H N 2.095 121.280 119.070 0.191 0.000 2.934 83 H HA 0.158 4.714 4.556 0.001 0.000 0.273 83 H C 1.427 176.697 175.328 -0.098 0.000 1.121 83 H CA 1.023 57.099 56.048 0.047 0.000 1.451 83 H CB 1.084 30.832 29.762 -0.024 0.000 1.469 83 H HN 0.666 nan 8.280 nan 0.000 0.476 84 E N 3.089 123.252 120.200 -0.061 0.000 2.077 84 E HA -0.155 4.196 4.350 0.001 0.000 0.193 84 E C 2.092 178.656 176.600 -0.061 0.000 0.989 84 E CA 1.176 57.503 56.400 -0.122 0.000 0.800 84 E CB -0.188 29.533 29.700 0.034 0.000 0.746 84 E HN 0.988 nan 8.360 nan 0.000 0.452 85 G N 1.201 110.045 108.800 0.074 0.000 2.446 85 G HA2 -0.298 3.663 3.960 0.001 0.000 0.217 85 G HA3 -0.298 3.663 3.960 0.001 0.000 0.217 85 G C 1.534 176.492 174.900 0.096 0.000 1.168 85 G CA 1.049 46.239 45.100 0.151 0.000 0.771 85 G HN 0.211 nan 8.290 nan 0.000 0.551 86 K N 0.051 120.534 120.400 0.139 0.000 2.057 86 K HA -0.051 4.270 4.320 0.001 0.000 0.207 86 K C 2.462 178.938 176.600 -0.206 0.000 1.049 86 K CA 1.129 57.338 56.287 -0.131 0.000 0.931 86 K CB -0.077 32.271 32.500 -0.253 0.000 0.714 86 K HN 0.155 nan 8.250 nan 0.000 0.440 87 E N 0.904 120.942 120.200 -0.271 0.000 2.110 87 E HA -0.154 4.197 4.350 0.001 0.000 0.193 87 E C 1.632 178.099 176.600 -0.222 0.000 0.988 87 E CA 1.105 57.282 56.400 -0.372 0.000 0.804 87 E CB -0.272 28.939 29.700 -0.814 0.000 0.745 87 E HN 0.383 nan 8.360 nan 0.000 0.458 88 N N 0.285 118.893 118.700 -0.155 0.000 2.084 88 N HA -0.108 4.633 4.740 0.001 0.000 0.190 88 N C 2.112 177.579 175.510 -0.071 0.000 1.030 88 N CA 0.857 53.863 53.050 -0.073 0.000 0.849 88 N CB -0.088 38.388 38.487 -0.018 0.000 1.012 88 N HN 0.088 nan 8.380 nan 0.000 0.423 89 I N 1.185 121.704 120.570 -0.086 0.000 2.179 89 I HA -0.259 3.912 4.170 0.001 0.000 0.242 89 I C 2.352 178.385 176.117 -0.141 0.000 1.088 89 I CA 1.149 62.392 61.300 -0.094 0.000 1.357 89 I CB -0.230 37.716 38.000 -0.089 0.000 1.051 89 I HN 0.108 nan 8.210 nan 0.000 0.409 90 R N 0.798 121.153 120.500 -0.241 0.000 2.083 90 R HA -0.188 4.152 4.340 0.001 0.000 0.237 90 R C 2.466 178.663 176.300 -0.172 0.000 1.137 90 R CA 1.712 57.578 56.100 -0.389 0.000 0.951 90 R CB -0.601 29.155 30.300 -0.907 0.000 0.851 90 R HN 0.403 nan 8.270 nan 0.000 0.434 91 A N 1.190 124.001 122.820 -0.016 0.000 1.877 91 A HA -0.096 4.225 4.320 0.001 0.000 0.216 91 A C 2.399 180.002 177.584 0.031 0.000 1.186 91 A CA 1.656 53.757 52.037 0.106 0.000 0.620 91 A CB -0.737 18.320 19.000 0.095 0.000 0.822 91 A HN 0.409 nan 8.150 nan 0.000 0.443 92 A N -0.594 122.218 122.820 -0.014 0.000 1.877 92 A HA -0.023 4.297 4.320 0.001 0.000 0.216 92 A C 2.241 179.806 177.584 -0.031 0.000 1.186 92 A CA 1.883 53.903 52.037 -0.028 0.000 0.620 92 A CB -1.025 17.945 19.000 -0.049 0.000 0.822 92 A HN 0.411 nan 8.150 nan 0.000 0.443 93 V N -0.127 119.764 119.914 -0.038 0.000 2.343 93 V HA -0.240 3.881 4.120 0.001 0.000 0.247 93 V C 3.050 179.141 176.094 -0.005 0.000 1.051 93 V CA 1.888 64.173 62.300 -0.025 0.000 1.036 93 V CB -1.240 30.570 31.823 -0.020 0.000 0.654 93 V HN 0.629 nan 8.190 nan 0.000 0.451 94 A N 0.118 122.943 122.820 0.008 0.000 1.883 94 A HA -0.157 4.163 4.320 0.001 0.000 0.217 94 A C 2.449 180.051 177.584 0.030 0.000 1.186 94 A CA 2.224 54.287 52.037 0.043 0.000 0.624 94 A CB -0.872 18.193 19.000 0.109 0.000 0.822 94 A HN 0.574 nan 8.150 nan 0.000 0.444 95 A N -0.558 122.273 122.820 0.020 0.000 1.902 95 A HA 0.099 4.420 4.320 0.001 0.000 0.217 95 A C 2.426 180.000 177.584 -0.017 0.000 1.181 95 A CA 2.025 54.064 52.037 0.003 0.000 0.623 95 A CB -1.417 17.580 19.000 -0.004 0.000 0.818 95 A HN 0.758 nan 8.150 nan 0.000 0.443 96 G N -0.975 107.808 108.800 -0.028 0.000 2.418 96 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 96 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 96 G C 1.580 176.459 174.900 -0.035 0.000 1.158 96 G CA 1.311 46.382 45.100 -0.049 0.000 0.771 96 G HN 0.526 nan 8.290 nan 0.000 0.545 97 C N 0.156 119.450 119.300 -0.010 0.000 2.440 97 C HA 0.069 4.529 4.460 0.001 0.000 0.278 97 C C 2.956 177.951 174.990 0.008 0.000 1.295 97 C CA 0.510 59.533 59.018 0.007 0.000 1.738 97 C CB -0.802 26.958 27.740 0.033 0.000 1.987 97 C HN 0.446 nan 8.230 nan 0.000 0.492 98 R N 0.494 120.999 120.500 0.008 0.000 2.096 98 R HA -0.177 4.163 4.340 0.001 0.000 0.235 98 R C 2.242 178.541 176.300 -0.002 0.000 1.127 98 R CA 1.566 57.670 56.100 0.007 0.000 0.968 98 R CB -0.392 29.914 30.300 0.010 0.000 0.861 98 R HN 0.511 nan 8.270 nan 0.000 0.440 99 Q N 1.049 120.841 119.800 -0.014 0.000 2.079 99 Q HA -0.114 4.226 4.340 0.001 0.000 0.200 99 Q C 1.896 177.891 176.000 -0.009 0.000 0.974 99 Q CA 1.442 57.232 55.803 -0.021 0.000 0.840 99 Q CB -0.064 28.643 28.738 -0.051 0.000 0.898 99 Q HN 0.177 nan 8.270 nan 0.000 0.430 100 I N 0.688 121.250 120.570 -0.012 0.000 2.226 100 I HA -0.254 3.916 4.170 0.001 0.000 0.245 100 I C 2.368 178.495 176.117 0.017 0.000 1.100 100 I CA 1.682 62.984 61.300 0.004 0.000 1.374 100 I CB -1.215 36.784 38.000 -0.002 0.000 1.057 100 I HN 0.519 nan 8.210 nan 0.000 0.413 101 Q N 0.483 120.290 119.800 0.012 0.000 2.119 101 Q HA -0.262 4.079 4.340 0.001 0.000 0.201 101 Q C 1.803 177.809 176.000 0.010 0.000 0.972 101 Q CA 1.923 57.733 55.803 0.012 0.000 0.847 101 Q CB -0.004 28.739 28.738 0.008 0.000 0.903 101 Q HN 0.379 nan 8.270 nan 0.000 0.433 102 D N -0.080 120.327 120.400 0.010 0.000 2.218 102 D HA -0.117 4.524 4.640 0.001 0.000 0.204 102 D C 1.389 177.700 176.300 0.020 0.000 0.976 102 D CA 0.750 54.757 54.000 0.011 0.000 0.853 102 D CB 0.029 40.834 40.800 0.009 0.000 0.939 102 D HN 0.304 nan 8.370 nan 0.000 0.481 103 L N 0.123 121.365 121.223 0.033 0.000 2.599 103 L HA 0.125 4.466 4.340 0.001 0.000 0.230 103 L C 0.219 177.109 176.870 0.034 0.000 1.141 103 L CA 0.312 55.181 54.840 0.048 0.000 0.877 103 L CB -0.292 41.822 42.059 0.090 0.000 1.009 103 L HN 0.039 nan 8.230 nan 0.000 0.447 104 E N -0.145 120.068 120.200 0.022 0.000 2.637 104 E HA -0.230 4.120 4.350 0.001 0.000 0.265 104 E C -0.114 176.498 176.600 0.020 0.000 1.073 104 E CA 0.206 56.615 56.400 0.015 0.000 0.778 104 E CB -1.556 28.148 29.700 0.008 0.000 1.362 104 E HN 0.450 nan 8.360 nan 0.000 0.413 105 I N 1.443 122.030 120.570 0.028 0.000 2.325 105 I HA 0.117 4.288 4.170 0.001 0.000 0.291 105 I C -0.750 175.384 176.117 0.028 0.000 1.019 105 I CA -1.953 59.367 61.300 0.033 0.000 1.302 105 I CB 0.773 38.801 38.000 0.047 0.000 1.401 105 I HN -0.093 nan 8.210 nan 0.000 0.485 106 P HA 0.009 nan 4.420 nan 0.000 0.229 106 P C 0.041 177.359 177.300 0.030 0.000 1.160 106 P CA 0.584 63.698 63.100 0.022 0.000 0.777 106 P CB 0.533 32.242 31.700 0.015 0.000 0.814 107 S N -0.709 115.012 115.700 0.036 0.000 2.536 107 S HA 0.504 4.974 4.470 0.001 0.000 0.287 107 S C -1.105 173.528 174.600 0.056 0.000 1.101 107 S CA -0.617 57.609 58.200 0.044 0.000 0.950 107 S CB 2.573 65.795 63.200 0.036 0.000 1.056 107 S HN -0.093 nan 8.310 nan 0.000 0.481 108 V N 2.578 122.525 119.914 0.056 0.000 2.808 108 V HA 0.518 4.639 4.120 0.001 0.000 0.308 108 V C -1.384 174.726 176.094 0.027 0.000 1.099 108 V CA -0.566 61.762 62.300 0.047 0.000 0.920 108 V CB 2.006 33.847 31.823 0.030 0.000 1.014 108 V HN 0.947 nan 8.190 nan 0.000 0.425 109 E N 4.076 124.278 120.200 0.003 0.000 2.191 109 E HA 0.614 4.964 4.350 0.001 0.000 0.278 109 E C -1.361 175.145 176.600 -0.157 0.000 0.972 109 E CA -0.609 55.758 56.400 -0.055 0.000 0.804 109 E CB 2.360 32.100 29.700 0.067 0.000 1.110 109 E HN 0.520 nan 8.360 nan 0.000 0.394 110 V N 2.890 122.697 119.914 -0.178 0.000 2.448 110 V HA 0.070 4.190 4.120 0.001 0.000 0.295 110 V C -0.114 175.914 176.094 -0.108 0.000 1.025 110 V CA -0.972 61.254 62.300 -0.124 0.000 0.859 110 V CB 1.699 33.564 31.823 0.070 0.000 0.988 110 V HN 0.662 nan 8.190 nan 0.000 0.431 111 D N 7.611 127.952 120.400 -0.097 0.000 2.487 111 D HA 0.073 4.713 4.640 0.001 0.000 0.243 111 D C -1.065 175.247 176.300 0.021 0.000 1.154 111 D CA -1.485 52.492 54.000 -0.039 0.000 0.876 111 D CB 1.789 42.532 40.800 -0.095 0.000 1.161 111 D HN 0.293 nan 8.370 nan 0.000 0.478 112 P HA -0.082 nan 4.420 nan 0.000 0.225 112 P C 0.430 177.769 177.300 0.065 0.000 1.148 112 P CA 0.219 63.374 63.100 0.091 0.000 0.779 112 P CB -0.229 31.509 31.700 0.064 0.000 0.780 113 C N -1.201 118.122 119.300 0.038 0.000 4.268 113 C HA -0.055 4.405 4.460 0.001 0.000 0.299 113 C C 1.737 176.779 174.990 0.088 0.000 1.429 113 C CA 0.580 59.617 59.018 0.032 0.000 2.018 113 C CB -2.992 24.740 27.740 -0.012 0.000 1.277 113 C HN 0.624 nan 8.230 nan 0.000 0.767 114 G N -0.212 108.643 108.800 0.090 0.000 2.189 114 G HA2 -0.240 3.721 3.960 0.001 0.000 0.267 114 G HA3 -0.240 3.721 3.960 0.001 0.000 0.267 114 G C -0.231 174.691 174.900 0.036 0.000 0.975 114 G CA 0.859 46.010 45.100 0.085 0.000 0.644 114 G HN 0.970 nan 8.290 nan 0.000 0.537 115 D N -0.805 119.605 120.400 0.017 0.000 2.445 115 D HA 0.549 5.189 4.640 0.001 0.000 0.236 115 D C 1.204 177.490 176.300 -0.023 0.000 1.315 115 D CA 0.546 54.526 54.000 -0.033 0.000 0.924 115 D CB 0.307 41.058 40.800 -0.081 0.000 1.447 115 D HN 0.460 nan 8.370 nan 0.000 0.532 116 A N 2.596 125.428 122.820 0.020 0.000 1.978 116 A HA -0.221 4.099 4.320 0.001 0.000 0.220 116 A C 1.894 179.474 177.584 -0.006 0.000 1.170 116 A CA 1.751 53.854 52.037 0.109 0.000 0.636 116 A CB -0.259 18.850 19.000 0.181 0.000 0.810 116 A HN 0.598 nan 8.150 nan 0.000 0.448 117 Q N -0.630 119.093 119.800 -0.128 0.000 2.046 117 Q HA -0.115 4.225 4.340 0.001 0.000 0.200 117 Q C 2.236 178.053 176.000 -0.305 0.000 0.975 117 Q CA 1.548 57.192 55.803 -0.265 0.000 0.836 117 Q CB -0.337 28.202 28.738 -0.332 0.000 0.896 117 Q HN 0.607 nan 8.270 nan 0.000 0.428 118 A N 0.738 123.404 122.820 -0.256 0.000 1.902 118 A HA -0.115 4.205 4.320 0.001 0.000 0.217 118 A C 2.268 179.706 177.584 -0.244 0.000 1.181 118 A CA 1.646 53.521 52.037 -0.270 0.000 0.623 118 A CB -0.947 17.912 19.000 -0.236 0.000 0.818 118 A HN 0.558 nan 8.150 nan 0.000 0.443 119 A N -0.010 122.723 122.820 -0.145 0.000 1.883 119 A HA 0.115 4.435 4.320 0.001 0.000 0.217 119 A C 2.534 180.001 177.584 -0.196 0.000 1.186 119 A CA 2.289 54.294 52.037 -0.054 0.000 0.624 119 A CB -1.119 17.976 19.000 0.157 0.000 0.822 119 A HN 1.097 nan 8.150 nan 0.000 0.444 120 A N -0.358 122.148 122.820 -0.523 0.000 1.902 120 A HA -0.183 4.138 4.320 0.001 0.000 0.217 120 A C 1.910 179.154 177.584 -0.567 0.000 1.181 120 A CA 1.748 53.132 52.037 -1.090 0.000 0.623 120 A CB -0.569 17.520 19.000 -1.519 0.000 0.818 120 A HN 0.648 nan 8.150 nan 0.000 0.443 121 E N -0.715 119.233 120.200 -0.420 0.000 2.077 121 E HA -0.124 4.226 4.350 0.001 0.000 0.193 121 E C 2.148 178.580 176.600 -0.280 0.000 0.989 121 E CA 0.868 57.078 56.400 -0.317 0.000 0.800 121 E CB -0.383 29.120 29.700 -0.329 0.000 0.746 121 E HN 0.614 nan 8.360 nan 0.000 0.452 122 G N 0.990 109.611 108.800 -0.298 0.000 2.418 122 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 122 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 122 G C 1.655 176.508 174.900 -0.079 0.000 1.158 122 G CA 0.887 45.859 45.100 -0.213 0.000 0.771 122 G HN 0.353 nan 8.290 nan 0.000 0.545 123 A N 0.105 122.876 122.820 -0.082 0.000 1.855 123 A HA 0.098 4.419 4.320 0.001 0.000 0.215 123 A C 2.607 180.195 177.584 0.005 0.000 1.191 123 A CA 1.915 53.952 52.037 -0.000 0.000 0.613 123 A CB -0.706 18.344 19.000 0.084 0.000 0.829 123 A HN 0.255 nan 8.150 nan 0.000 0.442 124 V N 0.111 119.990 119.914 -0.060 0.000 2.358 124 V HA -0.202 3.918 4.120 0.001 0.000 0.246 124 V C 2.539 178.660 176.094 0.044 0.000 1.047 124 V CA 1.782 64.072 62.300 -0.017 0.000 1.035 124 V CB -0.760 31.009 31.823 -0.091 0.000 0.658 124 V HN 0.527 nan 8.190 nan 0.000 0.452 125 L N 0.372 121.612 121.223 0.028 0.000 2.109 125 L HA -0.001 4.339 4.340 0.001 0.000 0.207 125 L C 2.640 179.609 176.870 0.164 0.000 1.086 125 L CA 1.565 56.468 54.840 0.106 0.000 0.760 125 L CB -1.075 41.076 42.059 0.153 0.000 0.910 125 L HN 0.460 nan 8.230 nan 0.000 0.437 126 G N 0.058 108.938 108.800 0.133 0.000 2.408 126 G HA2 -0.177 3.784 3.960 0.001 0.000 0.217 126 G HA3 -0.177 3.784 3.960 0.001 0.000 0.217 126 G C 1.614 176.577 174.900 0.106 0.000 1.150 126 G CA 0.400 45.577 45.100 0.128 0.000 0.776 126 G HN 0.224 nan 8.290 nan 0.000 0.542 127 L N -0.882 120.402 121.223 0.101 0.000 2.313 127 L HA 0.207 4.548 4.340 0.001 0.000 0.214 127 L C 1.263 178.181 176.870 0.080 0.000 1.119 127 L CA -0.513 54.373 54.840 0.077 0.000 0.809 127 L CB -0.235 41.865 42.059 0.069 0.000 0.933 127 L HN 0.223 nan 8.230 nan 0.000 0.449 128 Y N 2.341 122.663 120.300 0.037 0.000 2.811 128 Y HA -0.061 4.490 4.550 0.001 0.000 0.334 128 Y C 0.106 176.036 175.900 0.050 0.000 1.247 128 Y CA 0.371 58.496 58.100 0.043 0.000 1.526 128 Y CB 0.198 38.686 38.460 0.046 0.000 1.284 128 Y HN 0.089 nan 8.280 nan 0.000 0.586 129 E N 4.985 124.587 120.200 -0.996 0.000 2.321 129 E HA 0.050 4.401 4.350 0.001 0.000 0.281 129 E C -2.126 174.023 176.600 -0.752 0.000 0.910 129 E CA -0.995 55.017 56.400 -0.646 0.000 0.770 129 E CB 1.455 30.986 29.700 -0.281 0.000 1.225 129 E HN 0.575 nan 8.360 nan 0.000 0.417 130 Y N 4.114 124.131 120.300 -0.472 0.000 2.556 130 Y HA 0.181 4.731 4.550 0.001 0.000 0.352 130 Y C -0.154 175.673 175.900 -0.121 0.000 1.006 130 Y CA -0.368 57.612 58.100 -0.201 0.000 1.277 130 Y CB 0.304 38.785 38.460 0.034 0.000 1.136 130 Y HN 0.453 nan 8.280 nan 0.000 0.523 131 D N 1.107 121.194 120.400 -0.521 0.000 2.563 131 D HA 0.045 4.685 4.640 0.001 0.000 0.237 131 D C 0.521 176.566 176.300 -0.425 0.000 1.282 131 D CA -0.025 53.724 54.000 -0.418 0.000 0.816 131 D CB -0.100 40.559 40.800 -0.234 0.000 1.066 131 D HN 0.412 nan 8.370 nan 0.000 0.501 132 D N 0.923 120.959 120.400 -0.607 0.000 2.158 132 D HA -0.115 4.525 4.640 0.001 0.000 0.197 132 D C 1.717 177.871 176.300 -0.244 0.000 0.995 132 D CA 1.003 54.790 54.000 -0.354 0.000 0.846 132 D CB 0.089 40.713 40.800 -0.293 0.000 0.941 132 D HN 0.363 nan 8.370 nan 0.000 0.456 133 L N -0.452 120.599 121.223 -0.286 0.000 2.611 133 L HA 0.144 4.484 4.340 0.001 0.000 0.229 133 L C 0.508 177.316 176.870 -0.104 0.000 1.137 133 L CA 0.161 54.922 54.840 -0.133 0.000 0.901 133 L CB -0.039 41.982 42.059 -0.064 0.000 1.098 133 L HN -0.219 nan 8.230 nan 0.000 0.456 134 K N 0.198 120.520 120.400 -0.129 0.000 2.164 134 K HA 0.193 4.513 4.320 0.001 0.000 0.258 134 K C 0.448 177.005 176.600 -0.073 0.000 0.951 134 K CA -0.339 55.895 56.287 -0.089 0.000 0.844 134 K CB 2.270 34.713 32.500 -0.095 0.000 1.099 134 K HN -0.112 nan 8.250 nan 0.000 0.435 135 Q N 1.894 121.663 119.800 -0.051 0.000 2.137 135 Q HA -0.032 4.309 4.340 0.001 0.000 0.198 135 Q C -0.415 175.560 176.000 -0.041 0.000 0.960 135 Q CA 1.258 57.036 55.803 -0.042 0.000 0.847 135 Q CB 0.432 29.152 28.738 -0.031 0.000 0.915 135 Q HN 0.324 nan 8.270 nan 0.000 0.448 136 K N 1.381 121.756 120.400 -0.041 0.000 2.263 136 K HA 0.370 4.690 4.320 0.001 0.000 0.272 136 K C -1.010 175.561 176.600 -0.048 0.000 1.033 136 K CA -0.210 56.054 56.287 -0.038 0.000 0.884 136 K CB 1.455 33.937 32.500 -0.030 0.000 1.107 136 K HN 0.064 nan 8.250 nan 0.000 0.460 137 R N 1.878 122.349 120.500 -0.049 0.000 2.795 137 R HA 0.346 4.687 4.340 0.001 0.000 0.275 137 R C -0.530 175.743 176.300 -0.045 0.000 0.981 137 R CA -1.111 54.954 56.100 -0.058 0.000 0.917 137 R CB 1.918 32.175 30.300 -0.071 0.000 1.202 137 R HN 0.336 nan 8.270 nan 0.000 0.469 138 K N 0.640 121.011 120.400 -0.048 0.000 2.180 138 K HA 0.174 4.495 4.320 0.001 0.000 0.251 138 K C -0.053 176.529 176.600 -0.031 0.000 1.014 138 K CA -0.433 55.834 56.287 -0.035 0.000 0.913 138 K CB 0.686 33.165 32.500 -0.035 0.000 1.008 138 K HN 0.159 nan 8.250 nan 0.000 0.490 139 V N 2.160 122.063 119.914 -0.019 0.000 2.673 139 V HA -0.044 4.077 4.120 0.001 0.000 0.303 139 V C 0.235 176.322 176.094 -0.011 0.000 1.046 139 V CA -0.240 62.052 62.300 -0.012 0.000 1.126 139 V CB 1.044 32.865 31.823 -0.003 0.000 0.934 139 V HN 0.392 nan 8.190 nan 0.000 0.487 140 V N 6.397 126.305 119.914 -0.009 0.000 2.439 140 V HA 0.123 4.243 4.120 0.001 0.000 0.271 140 V C 0.213 176.314 176.094 0.011 0.000 1.040 140 V CA -0.015 62.283 62.300 -0.003 0.000 1.002 140 V CB 1.127 32.948 31.823 -0.003 0.000 1.000 140 V HN 0.599 nan 8.190 nan 0.000 0.477 141 V N 4.713 124.638 119.914 0.020 0.000 2.427 141 V HA 0.371 4.492 4.120 0.001 0.000 0.286 141 V C 0.377 176.501 176.094 0.049 0.000 1.034 141 V CA -0.218 62.102 62.300 0.033 0.000 0.893 141 V CB 1.889 33.734 31.823 0.036 0.000 0.982 141 V HN 0.860 nan 8.190 nan 0.000 0.452 142 S N 4.335 120.067 115.700 0.053 0.000 2.420 142 S HA 0.714 5.185 4.470 0.001 0.000 0.313 142 S C -0.040 174.613 174.600 0.088 0.000 1.079 142 S CA -0.332 57.909 58.200 0.068 0.000 1.104 142 S CB 0.548 63.780 63.200 0.053 0.000 0.969 142 S HN 1.063 nan 8.310 nan 0.000 0.471 143 A N 5.423 128.323 122.820 0.133 0.000 2.301 143 A HA 0.767 5.088 4.320 0.001 0.000 0.312 143 A C -0.191 177.531 177.584 0.229 0.000 1.182 143 A CA -0.608 51.540 52.037 0.185 0.000 0.826 143 A CB 0.690 19.847 19.000 0.261 0.000 1.134 143 A HN 0.837 nan 8.150 nan 0.000 0.501 144 K N 0.879 121.311 120.400 0.055 0.000 2.512 144 K HA 0.440 4.761 4.320 0.001 0.000 0.263 144 K C -1.335 174.833 176.600 -0.719 0.000 0.966 144 K CA -0.969 55.197 56.287 -0.202 0.000 0.851 144 K CB 2.170 34.598 32.500 -0.120 0.000 1.395 144 K HN 0.564 nan 8.250 nan 0.000 0.440 145 L N 2.041 122.488 121.223 -1.293 0.000 2.453 145 L HA 0.104 4.444 4.340 0.001 0.000 0.272 145 L C -0.306 176.266 176.870 -0.497 0.000 1.182 145 L CA 0.399 54.488 54.840 -1.251 0.000 0.858 145 L CB -0.032 41.344 42.059 -1.138 0.000 1.120 145 L HN 0.515 nan 8.230 nan 0.000 0.474 146 H N 4.973 123.788 119.070 -0.425 0.000 2.846 146 H HA 0.593 5.149 4.556 0.001 0.000 0.278 146 H C 0.282 175.493 175.328 -0.196 0.000 1.117 146 H CA 0.594 56.492 56.048 -0.250 0.000 1.406 146 H CB -0.154 29.464 29.762 -0.240 0.000 1.445 146 H HN 0.990 nan 8.280 nan 0.000 0.469 147 G N 2.688 111.242 108.800 -0.409 0.000 2.483 147 G HA2 -0.080 3.880 3.960 0.001 0.000 0.521 147 G HA3 -0.080 3.880 3.960 0.001 0.000 0.521 147 G C 0.277 175.051 174.900 -0.210 0.000 1.278 147 G CA -0.017 44.890 45.100 -0.321 0.000 0.965 147 G HN 1.127 nan 8.290 nan 0.000 0.504 148 S N -1.721 113.890 115.700 -0.148 0.000 2.684 148 S HA 0.282 4.753 4.470 0.001 0.000 0.268 148 S C 1.320 175.878 174.600 -0.070 0.000 1.075 148 S CA 1.103 59.239 58.200 -0.108 0.000 1.184 148 S CB 0.684 63.833 63.200 -0.085 0.000 1.129 148 S HN 0.929 nan 8.310 nan 0.000 0.630 149 E N 2.081 122.241 120.200 -0.066 0.000 2.070 149 E HA -0.206 4.144 4.350 0.001 0.000 0.197 149 E C 0.118 176.706 176.600 -0.019 0.000 1.004 149 E CA 1.685 58.062 56.400 -0.038 0.000 0.805 149 E CB -0.080 29.598 29.700 -0.036 0.000 0.744 149 E HN 0.521 nan 8.360 nan 0.000 0.451 150 D N 0.175 120.567 120.400 -0.014 0.000 2.587 150 D HA -0.021 4.619 4.640 0.001 0.000 0.233 150 D C 1.003 177.338 176.300 0.058 0.000 1.213 150 D CA -0.028 53.984 54.000 0.020 0.000 0.827 150 D CB 0.609 41.430 40.800 0.034 0.000 1.006 150 D HN 0.152 nan 8.370 nan 0.000 0.490 151 Q N 1.433 121.254 119.800 0.035 0.000 2.135 151 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 151 Q C 1.834 177.903 176.000 0.115 0.000 0.981 151 Q CA 1.517 57.364 55.803 0.074 0.000 0.856 151 Q CB 0.037 28.789 28.738 0.022 0.000 0.902 151 Q HN 0.414 nan 8.270 nan 0.000 0.425 152 E N -1.087 119.149 120.200 0.060 0.000 2.077 152 E HA -0.196 4.155 4.350 0.001 0.000 0.193 152 E C 1.732 178.347 176.600 0.025 0.000 0.989 152 E CA 1.114 57.536 56.400 0.037 0.000 0.800 152 E CB -0.266 29.441 29.700 0.011 0.000 0.746 152 E HN 0.447 nan 8.360 nan 0.000 0.452 153 A N 1.750 124.584 122.820 0.024 0.000 1.898 153 A HA -0.185 4.135 4.320 0.001 0.000 0.216 153 A C 2.058 179.640 177.584 -0.003 0.000 1.181 153 A CA 1.220 53.243 52.037 -0.023 0.000 0.620 153 A CB -1.269 17.716 19.000 -0.025 0.000 0.819 153 A HN 0.740 nan 8.150 nan 0.000 0.442 154 W N 0.913 122.166 121.300 -0.078 0.000 2.333 154 W HA -0.247 4.413 4.660 0.001 0.000 0.316 154 W C 2.017 178.501 176.519 -0.058 0.000 1.215 154 W CA 2.202 59.506 57.345 -0.068 0.000 1.278 154 W CB -0.542 28.890 29.460 -0.047 0.000 1.154 154 W HN 0.527 nan 8.180 nan 0.000 0.486 155 Q N -0.167 119.696 119.800 0.104 0.000 2.135 155 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 155 Q C 2.406 178.360 176.000 -0.078 0.000 0.981 155 Q CA 1.923 57.736 55.803 0.018 0.000 0.856 155 Q CB -0.484 28.301 28.738 0.078 0.000 0.902 155 Q HN 0.298 nan 8.270 nan 0.000 0.425 156 R N 0.097 120.544 120.500 -0.089 0.000 2.081 156 R HA -0.123 4.218 4.340 0.001 0.000 0.235 156 R C 2.242 178.462 176.300 -0.133 0.000 1.131 156 R CA 1.440 57.485 56.100 -0.092 0.000 0.960 156 R CB -0.414 29.782 30.300 -0.173 0.000 0.856 156 R HN 0.326 nan 8.270 nan 0.000 0.436 157 G N 0.011 108.640 108.800 -0.285 0.000 2.418 157 G HA2 -0.201 3.759 3.960 0.001 0.000 0.217 157 G HA3 -0.201 3.759 3.960 0.001 0.000 0.217 157 G C 1.403 176.128 174.900 -0.291 0.000 1.158 157 G CA 0.845 45.734 45.100 -0.351 0.000 0.771 157 G HN 0.221 nan 8.290 nan 0.000 0.545 158 V N 0.828 120.515 119.914 -0.378 0.000 2.392 158 V HA -0.160 3.960 4.120 0.001 0.000 0.249 158 V C 2.677 178.700 176.094 -0.118 0.000 1.059 158 V CA 1.707 63.839 62.300 -0.280 0.000 1.051 158 V CB -0.453 31.218 31.823 -0.253 0.000 0.658 158 V HN 0.403 nan 8.190 nan 0.000 0.455 159 L N -1.295 119.895 121.223 -0.055 0.000 2.027 159 L HA -0.154 4.186 4.340 0.001 0.000 0.206 159 L C 2.378 179.250 176.870 0.003 0.000 1.074 159 L CA 1.858 56.688 54.840 -0.017 0.000 0.745 159 L CB -0.316 41.749 42.059 0.010 0.000 0.898 159 L HN 0.209 nan 8.230 nan 0.000 0.433 160 F N 0.177 120.025 119.950 -0.169 0.000 2.134 160 F HA -0.216 4.311 4.527 0.000 0.000 0.299 160 F C 2.597 178.313 175.800 -0.139 0.000 1.097 160 F CA 1.359 59.270 58.000 -0.149 0.000 1.264 160 F CB -1.046 37.859 39.000 -0.158 0.000 1.001 160 F HN 0.172 nan 8.300 nan 0.000 0.479 161 A N -0.993 121.847 122.820 0.033 0.000 1.902 161 A HA -0.154 4.167 4.320 0.001 0.000 0.217 161 A C 2.402 179.942 177.584 -0.073 0.000 1.181 161 A CA 1.954 53.967 52.037 -0.040 0.000 0.623 161 A CB -1.080 17.864 19.000 -0.093 0.000 0.818 161 A HN 0.306 nan 8.150 nan 0.000 0.443 162 S N -0.386 115.267 115.700 -0.079 0.000 2.399 162 S HA -0.055 4.416 4.470 0.001 0.000 0.231 162 S C 2.023 176.551 174.600 -0.121 0.000 1.022 162 S CA 1.045 59.190 58.200 -0.091 0.000 0.983 162 S CB -0.537 62.619 63.200 -0.074 0.000 0.803 162 S HN 0.772 nan 8.310 nan 0.000 0.480 163 G N 0.858 109.579 108.800 -0.132 0.000 2.421 163 G HA2 -0.259 3.701 3.960 0.001 0.000 0.216 163 G HA3 -0.259 3.701 3.960 0.001 0.000 0.216 163 G C 1.265 176.079 174.900 -0.143 0.000 1.171 163 G CA 0.886 45.891 45.100 -0.159 0.000 0.775 163 G HN 0.523 nan 8.290 nan 0.000 0.543 164 Q N 0.118 119.846 119.800 -0.120 0.000 2.119 164 Q HA -0.112 4.228 4.340 0.001 0.000 0.201 164 Q C 2.331 178.220 176.000 -0.185 0.000 0.972 164 Q CA 1.347 57.084 55.803 -0.110 0.000 0.847 164 Q CB -0.107 28.598 28.738 -0.055 0.000 0.903 164 Q HN 0.350 nan 8.270 nan 0.000 0.433 165 N N 0.518 119.068 118.700 -0.250 0.000 2.244 165 N HA -0.146 4.595 4.740 0.001 0.000 0.183 165 N C 1.596 176.869 175.510 -0.395 0.000 1.016 165 N CA 0.702 53.459 53.050 -0.489 0.000 0.866 165 N CB -0.261 37.928 38.487 -0.496 0.000 0.980 165 N HN 0.242 nan 8.380 nan 0.000 0.430 166 L N 1.014 122.103 121.223 -0.223 0.000 2.056 166 L HA 0.019 4.360 4.340 0.001 0.000 0.207 166 L C 2.030 178.812 176.870 -0.148 0.000 1.078 166 L CA 1.499 56.243 54.840 -0.160 0.000 0.749 166 L CB -1.016 40.958 42.059 -0.143 0.000 0.901 166 L HN 0.111 nan 8.230 nan 0.000 0.433 167 A N -0.281 122.457 122.820 -0.137 0.000 1.902 167 A HA -0.228 4.092 4.320 0.001 0.000 0.217 167 A C 2.409 179.941 177.584 -0.086 0.000 1.181 167 A CA 1.862 53.850 52.037 -0.083 0.000 0.623 167 A CB -0.539 18.423 19.000 -0.063 0.000 0.818 167 A HN 0.520 nan 8.150 nan 0.000 0.443 168 R N -0.928 119.479 120.500 -0.156 0.000 2.073 168 R HA -0.131 4.209 4.340 0.001 0.000 0.234 168 R C 2.556 178.803 176.300 -0.089 0.000 1.134 168 R CA 1.564 57.581 56.100 -0.138 0.000 0.952 168 R CB -0.386 29.756 30.300 -0.264 0.000 0.850 168 R HN 0.622 nan 8.270 nan 0.000 0.433 169 R N 1.335 121.771 120.500 -0.107 0.000 2.080 169 R HA -0.160 4.181 4.340 0.001 0.000 0.236 169 R C 2.187 178.405 176.300 -0.137 0.000 1.137 169 R CA 1.606 57.685 56.100 -0.034 0.000 0.943 169 R CB -0.418 29.915 30.300 0.056 0.000 0.846 169 R HN 0.193 nan 8.270 nan 0.000 0.431 170 L N 0.255 121.434 121.223 -0.073 0.000 2.042 170 L HA -0.225 4.116 4.340 0.001 0.000 0.210 170 L C 2.777 179.656 176.870 0.015 0.000 1.076 170 L CA 1.649 56.487 54.840 -0.004 0.000 0.749 170 L CB -0.363 41.731 42.059 0.059 0.000 0.893 170 L HN 0.327 nan 8.230 nan 0.000 0.432 171 M N -0.853 118.743 119.600 -0.007 0.000 2.132 171 M HA -0.196 4.285 4.480 0.001 0.000 0.263 171 M C 2.253 178.523 176.300 -0.051 0.000 1.065 171 M CA 1.531 56.826 55.300 -0.008 0.000 1.122 171 M CB -0.260 32.337 32.600 -0.004 0.000 1.365 171 M HN 0.092 nan 8.290 nan 0.000 0.411 172 E N 0.155 120.282 120.200 -0.121 0.000 2.106 172 E HA -0.047 4.304 4.350 0.001 0.000 0.192 172 E C -0.000 176.418 176.600 -0.303 0.000 0.984 172 E CA 0.785 57.079 56.400 -0.178 0.000 0.806 172 E CB -0.033 29.555 29.700 -0.187 0.000 0.750 172 E HN 0.238 nan 8.360 nan 0.000 0.458 173 T N 4.355 118.619 114.554 -0.484 0.000 2.905 173 T HA 0.018 4.368 4.350 0.001 0.000 0.299 173 T C -2.389 172.277 174.700 -0.057 0.000 1.024 173 T CA -0.709 61.180 62.100 -0.352 0.000 1.151 173 T CB 0.550 69.288 68.868 -0.216 0.000 0.987 173 T HN 0.177 nan 8.240 nan 0.000 0.535 174 P HA 0.108 nan 4.420 nan 0.000 0.267 174 P C 0.476 177.809 177.300 0.055 0.000 1.200 174 P CA -0.233 62.902 63.100 0.059 0.000 0.772 174 P CB 0.584 32.325 31.700 0.068 0.000 0.855 175 A N 3.574 126.432 122.820 0.063 0.000 2.019 175 A HA -0.202 4.118 4.320 0.001 0.000 0.219 175 A C 1.766 179.371 177.584 0.035 0.000 1.164 175 A CA 1.586 53.668 52.037 0.076 0.000 0.644 175 A CB -1.179 17.909 19.000 0.146 0.000 0.805 175 A HN 0.721 nan 8.150 nan 0.000 0.449 176 N N -0.266 118.434 118.700 0.000 0.000 2.512 176 N HA -0.124 4.616 4.740 0.001 0.000 0.183 176 N C 1.236 176.762 175.510 0.026 0.000 1.073 176 N CA 1.534 54.584 53.050 -0.000 0.000 0.911 176 N CB -0.070 38.404 38.487 -0.023 0.000 0.964 176 N HN 0.581 nan 8.380 nan 0.000 0.447 177 E N 0.099 120.325 120.200 0.044 0.000 2.175 177 E HA 0.137 4.488 4.350 0.001 0.000 0.195 177 E C 0.334 176.975 176.600 0.067 0.000 0.934 177 E CA 0.114 56.548 56.400 0.057 0.000 0.870 177 E CB -0.122 29.623 29.700 0.075 0.000 0.838 177 E HN 0.137 nan 8.360 nan 0.000 0.474 178 M N 2.731 122.375 119.600 0.074 0.000 3.436 178 M HA 0.193 4.673 4.480 0.001 0.000 0.240 178 M C -0.588 175.777 176.300 0.109 0.000 1.469 178 M CA -0.117 55.242 55.300 0.100 0.000 1.622 178 M CB -0.590 32.068 32.600 0.098 0.000 1.098 178 M HN 0.114 nan 8.290 nan 0.000 0.568 179 T N 0.518 115.132 114.554 0.100 0.000 2.788 179 T HA 0.470 4.821 4.350 0.001 0.000 0.280 179 T C -1.947 172.821 174.700 0.112 0.000 0.984 179 T CA -1.513 60.641 62.100 0.090 0.000 0.972 179 T CB 0.458 69.369 68.868 0.072 0.000 1.039 179 T HN 0.238 nan 8.240 nan 0.000 0.530 180 P HA -0.065 nan 4.420 nan 0.000 0.215 180 P C 1.675 179.059 177.300 0.140 0.000 1.153 180 P CA 1.270 64.426 63.100 0.093 0.000 0.853 180 P CB -0.287 31.464 31.700 0.084 0.000 0.788 181 T N -0.390 114.230 114.554 0.109 0.000 2.708 181 T HA -0.176 4.174 4.350 0.001 0.000 0.266 181 T C 1.813 176.572 174.700 0.099 0.000 1.037 181 T CA 1.696 63.853 62.100 0.096 0.000 1.146 181 T CB -0.563 68.346 68.868 0.068 0.000 0.865 181 T HN 0.046 nan 8.240 nan 0.000 0.435 182 K N 0.940 121.401 120.400 0.101 0.000 2.057 182 K HA -0.024 4.297 4.320 0.001 0.000 0.207 182 K C 1.838 178.496 176.600 0.096 0.000 1.049 182 K CA 1.188 57.525 56.287 0.083 0.000 0.931 182 K CB -0.852 31.695 32.500 0.079 0.000 0.714 182 K HN 0.330 nan 8.250 nan 0.000 0.440 183 F N 0.700 120.652 119.950 0.003 0.000 2.065 183 F HA -0.216 4.311 4.527 0.001 0.000 0.298 183 F C 1.919 177.708 175.800 -0.017 0.000 1.112 183 F CA 2.051 60.045 58.000 -0.010 0.000 1.212 183 F CB -0.777 38.217 39.000 -0.011 0.000 0.975 183 F HN 0.096 nan 8.300 nan 0.000 0.476 184 A N 0.012 122.976 122.820 0.241 0.000 1.908 184 A HA -0.240 4.080 4.320 0.001 0.000 0.218 184 A C 2.102 179.673 177.584 -0.023 0.000 1.181 184 A CA 2.032 54.138 52.037 0.115 0.000 0.627 184 A CB -0.966 18.114 19.000 0.134 0.000 0.818 184 A HN 0.609 nan 8.150 nan 0.000 0.445 185 E N -0.461 119.731 120.200 -0.014 0.000 2.106 185 E HA -0.122 4.228 4.350 0.001 0.000 0.192 185 E C 1.882 178.432 176.600 -0.084 0.000 0.984 185 E CA 1.149 57.526 56.400 -0.039 0.000 0.806 185 E CB -0.262 29.431 29.700 -0.012 0.000 0.750 185 E HN 0.720 nan 8.360 nan 0.000 0.458 186 I N 0.533 121.027 120.570 -0.128 0.000 2.252 186 I HA -0.222 3.949 4.170 0.001 0.000 0.245 186 I C 2.332 178.319 176.117 -0.217 0.000 1.102 186 I CA 0.662 61.864 61.300 -0.164 0.000 1.385 186 I CB -0.152 37.731 38.000 -0.194 0.000 1.064 186 I HN -0.017 nan 8.210 nan 0.000 0.414 187 V N 0.959 120.684 119.914 -0.316 0.000 2.343 187 V HA -0.307 3.814 4.120 0.001 0.000 0.247 187 V C 2.503 178.496 176.094 -0.169 0.000 1.051 187 V CA 2.175 64.301 62.300 -0.290 0.000 1.036 187 V CB -0.640 30.978 31.823 -0.342 0.000 0.654 187 V HN 0.509 nan 8.190 nan 0.000 0.451 188 E N 0.737 120.857 120.200 -0.132 0.000 2.038 188 E HA -0.303 4.047 4.350 0.001 0.000 0.195 188 E C 2.232 178.776 176.600 -0.094 0.000 1.000 188 E CA 1.891 58.230 56.400 -0.101 0.000 0.803 188 E CB -0.196 29.454 29.700 -0.084 0.000 0.750 188 E HN 0.865 nan 8.360 nan 0.000 0.448 189 E N 0.083 120.230 120.200 -0.088 0.000 2.110 189 E HA -0.219 4.132 4.350 0.001 0.000 0.193 189 E C 1.951 178.504 176.600 -0.077 0.000 0.988 189 E CA 1.183 57.539 56.400 -0.073 0.000 0.804 189 E CB -0.339 29.324 29.700 -0.061 0.000 0.745 189 E HN 0.252 nan 8.360 nan 0.000 0.458 190 N N 0.592 119.233 118.700 -0.098 0.000 2.142 190 N HA -0.111 4.630 4.740 0.001 0.000 0.186 190 N C 1.957 177.406 175.510 -0.101 0.000 1.023 190 N CA 0.974 53.963 53.050 -0.102 0.000 0.852 190 N CB -0.133 38.278 38.487 -0.127 0.000 0.998 190 N HN 0.173 nan 8.380 nan 0.000 0.424 191 L N 2.244 123.404 121.223 -0.105 0.000 2.056 191 L HA -0.082 4.258 4.340 0.001 0.000 0.207 191 L C 1.945 178.774 176.870 -0.068 0.000 1.078 191 L CA 1.664 56.447 54.840 -0.095 0.000 0.749 191 L CB -0.322 41.685 42.059 -0.085 0.000 0.901 191 L HN -0.101 nan 8.230 nan 0.000 0.433 192 K N -0.922 119.440 120.400 -0.063 0.000 2.148 192 K HA -0.058 4.263 4.320 0.001 0.000 0.204 192 K C 2.373 178.950 176.600 -0.039 0.000 1.050 192 K CA 1.292 57.551 56.287 -0.046 0.000 0.942 192 K CB -0.792 31.677 32.500 -0.052 0.000 0.724 192 K HN 0.370 nan 8.250 nan 0.000 0.446 193 S N 0.734 116.405 115.700 -0.048 0.000 2.383 193 S HA -0.070 4.401 4.470 0.001 0.000 0.227 193 S C 1.978 176.551 174.600 -0.045 0.000 1.026 193 S CA 1.127 59.302 58.200 -0.043 0.000 0.981 193 S CB -0.078 63.094 63.200 -0.048 0.000 0.818 193 S HN 0.352 nan 8.310 nan 0.000 0.472 194 A N -0.205 122.577 122.820 -0.063 0.000 1.930 194 A HA 0.259 4.580 4.320 0.001 0.000 0.217 194 A C 1.204 178.758 177.584 -0.050 0.000 1.175 194 A CA 1.229 53.219 52.037 -0.078 0.000 0.627 194 A CB -0.296 18.627 19.000 -0.129 0.000 0.815 194 A HN 0.598 nan 8.150 nan 0.000 0.443 195 S N -2.977 112.711 115.700 -0.019 0.000 2.558 195 S HA 0.413 4.884 4.470 0.001 0.000 0.277 195 S C 0.114 174.745 174.600 0.051 0.000 1.143 195 S CA -0.286 57.937 58.200 0.038 0.000 0.865 195 S CB 0.631 63.895 63.200 0.107 0.000 1.102 195 S HN 0.388 nan 8.310 nan 0.000 0.454 196 I N 2.475 123.077 120.570 0.053 0.000 3.059 196 I HA 0.201 4.371 4.170 0.001 0.000 0.270 196 I C 0.803 176.952 176.117 0.054 0.000 1.238 196 I CA 0.544 61.867 61.300 0.038 0.000 1.478 196 I CB -0.083 37.934 38.000 0.027 0.000 1.097 196 I HN 0.593 nan 8.210 nan 0.000 0.455 197 K N 2.078 122.535 120.400 0.094 0.000 3.216 197 K HA 0.093 4.413 4.320 0.001 0.000 0.277 197 K C -0.291 176.379 176.600 0.117 0.000 1.246 197 K CA -0.005 56.328 56.287 0.076 0.000 1.227 197 K CB -0.405 32.118 32.500 0.038 0.000 1.487 197 K HN 0.323 nan 8.250 nan 0.000 0.341 198 T N -3.056 111.554 114.554 0.094 0.000 2.883 198 T HA 0.412 4.763 4.350 0.001 0.000 0.301 198 T C -1.100 173.604 174.700 0.007 0.000 1.158 198 T CA -1.101 61.058 62.100 0.097 0.000 1.007 198 T CB 2.527 71.447 68.868 0.087 0.000 1.186 198 T HN -0.095 nan 8.240 nan 0.000 0.499 199 D N 0.532 120.908 120.400 -0.041 0.000 2.934 199 D HA 0.557 5.197 4.640 0.001 0.000 0.230 199 D C -1.171 174.860 176.300 -0.449 0.000 1.204 199 D CA -0.320 53.514 54.000 -0.276 0.000 0.873 199 D CB 2.750 43.404 40.800 -0.243 0.000 1.645 199 D HN 0.489 nan 8.370 nan 0.000 0.502 200 V N 2.269 121.800 119.914 -0.637 0.000 2.531 200 V HA 0.480 4.601 4.120 0.001 0.000 0.301 200 V C -0.978 174.682 176.094 -0.723 0.000 1.034 200 V CA -0.698 61.303 62.300 -0.498 0.000 0.865 200 V CB 1.408 33.082 31.823 -0.249 0.000 0.995 200 V HN 0.366 nan 8.190 nan 0.000 0.424 201 F N 4.718 124.600 119.950 -0.113 0.000 2.434 201 F HA 0.568 5.096 4.527 0.000 0.000 0.355 201 F C 0.224 175.965 175.800 -0.099 0.000 1.115 201 F CA -0.551 57.377 58.000 -0.120 0.000 1.010 201 F CB 1.387 40.288 39.000 -0.165 0.000 1.234 201 F HN 0.268 nan 8.300 nan 0.000 0.439 202 I N 5.151 125.751 120.570 0.049 0.000 2.257 202 I HA 0.226 4.396 4.170 0.001 0.000 0.290 202 I C 0.049 176.181 176.117 0.026 0.000 1.137 202 I CA -0.572 60.754 61.300 0.043 0.000 1.255 202 I CB -0.147 37.872 38.000 0.033 0.000 1.485 202 I HN 0.393 nan 8.210 nan 0.000 0.534 203 R N 6.465 126.946 120.500 -0.031 0.000 2.421 203 R HA 0.234 4.574 4.340 0.001 0.000 0.305 203 R C -2.294 174.060 176.300 0.089 0.000 1.039 203 R CA -1.285 54.739 56.100 -0.127 0.000 1.003 203 R CB 0.154 30.105 30.300 -0.582 0.000 0.959 203 R HN 0.292 nan 8.270 nan 0.000 0.427 204 P HA 0.131 nan 4.420 nan 0.000 0.279 204 P C 0.236 177.647 177.300 0.185 0.000 1.276 204 P CA -0.601 62.584 63.100 0.141 0.000 0.801 204 P CB 1.045 32.810 31.700 0.108 0.000 1.127 205 K N 0.586 121.052 120.400 0.111 0.000 2.074 205 K HA -0.180 4.141 4.320 0.001 0.000 0.209 205 K C 2.062 178.709 176.600 0.078 0.000 1.048 205 K CA 2.559 58.884 56.287 0.063 0.000 0.926 205 K CB -0.574 31.931 32.500 0.008 0.000 0.713 205 K HN 0.506 nan 8.250 nan 0.000 0.444 206 S N -0.372 115.383 115.700 0.091 0.000 2.383 206 S HA -0.214 4.257 4.470 0.001 0.000 0.229 206 S C 1.823 176.488 174.600 0.108 0.000 1.030 206 S CA 1.109 59.355 58.200 0.077 0.000 1.002 206 S CB -0.825 62.421 63.200 0.077 0.000 0.829 206 S HN 0.649 nan 8.310 nan 0.000 0.467 207 W N 2.071 123.360 121.300 -0.019 0.000 2.409 207 W HA 0.167 4.827 4.660 0.000 0.000 0.299 207 W C 1.791 178.263 176.519 -0.080 0.000 1.203 207 W CA 0.894 58.214 57.345 -0.042 0.000 1.298 207 W CB -0.262 29.184 29.460 -0.023 0.000 1.127 207 W HN 0.234 nan 8.180 nan 0.000 0.528 208 I N 0.851 121.571 120.570 0.250 0.000 2.264 208 I HA -0.320 3.850 4.170 0.001 0.000 0.248 208 I C 2.159 178.187 176.117 -0.148 0.000 1.111 208 I CA 1.843 63.182 61.300 0.064 0.000 1.382 208 I CB -0.600 37.483 38.000 0.138 0.000 1.060 208 I HN 0.078 nan 8.210 nan 0.000 0.418 209 E N 0.681 120.818 120.200 -0.105 0.000 2.072 209 E HA -0.216 4.135 4.350 0.001 0.000 0.191 209 E C 2.074 178.568 176.600 -0.177 0.000 0.985 209 E CA 1.108 57.436 56.400 -0.119 0.000 0.801 209 E CB -0.084 29.573 29.700 -0.071 0.000 0.750 209 E HN 0.517 nan 8.360 nan 0.000 0.452 210 E N 0.691 120.756 120.200 -0.224 0.000 2.153 210 E HA -0.170 4.180 4.350 0.001 0.000 0.194 210 E C 1.894 178.271 176.600 -0.372 0.000 0.988 210 E CA 0.676 56.917 56.400 -0.266 0.000 0.811 210 E CB 0.076 29.617 29.700 -0.264 0.000 0.746 210 E HN 0.150 nan 8.360 nan 0.000 0.466 211 Q N 0.295 119.753 119.800 -0.570 0.000 2.482 211 Q HA -0.052 4.289 4.340 0.001 0.000 0.209 211 Q C -0.276 175.522 176.000 -0.336 0.000 0.961 211 Q CA 0.373 55.812 55.803 -0.607 0.000 0.945 211 Q CB 0.253 28.341 28.738 -1.082 0.000 1.012 211 Q HN 0.343 nan 8.270 nan 0.000 0.515 212 E N -0.206 119.851 120.200 -0.237 0.000 2.476 212 E HA -0.213 4.137 4.350 0.001 0.000 0.251 212 E C -0.543 176.001 176.600 -0.093 0.000 1.130 212 E CA 0.207 56.525 56.400 -0.136 0.000 0.736 212 E CB -1.445 28.191 29.700 -0.107 0.000 1.298 212 E HN 0.382 nan 8.360 nan 0.000 0.400 213 M N 0.217 119.761 119.600 -0.094 0.000 3.596 213 M HA 0.100 4.581 4.480 0.001 0.000 0.219 213 M C 1.705 178.028 176.300 0.037 0.000 1.471 213 M CA 0.317 55.622 55.300 0.008 0.000 1.644 213 M CB 0.206 32.868 32.600 0.103 0.000 1.083 213 M HN 0.313 nan 8.290 nan 0.000 0.579 214 G N -0.003 108.805 108.800 0.013 0.000 2.432 214 G HA2 -0.190 3.771 3.960 0.001 0.000 0.219 214 G HA3 -0.190 3.771 3.960 0.001 0.000 0.219 214 G C 1.597 176.522 174.900 0.042 0.000 1.135 214 G CA 1.053 46.161 45.100 0.012 0.000 0.767 214 G HN 0.536 nan 8.290 nan 0.000 0.550 215 S N -0.412 115.329 115.700 0.069 0.000 2.355 215 S HA -0.097 4.374 4.470 0.001 0.000 0.222 215 S C 2.036 176.728 174.600 0.153 0.000 1.031 215 S CA 1.211 59.460 58.200 0.081 0.000 0.993 215 S CB -0.392 62.830 63.200 0.037 0.000 0.859 215 S HN 0.316 nan 8.310 nan 0.000 0.453 216 F N 2.407 122.363 119.950 0.009 0.000 2.102 216 F HA 0.052 4.579 4.527 0.001 0.000 0.298 216 F C 1.777 177.597 175.800 0.034 0.000 1.105 216 F CA 1.218 59.240 58.000 0.037 0.000 1.239 216 F CB -1.048 38.010 39.000 0.096 0.000 0.991 216 F HN 0.198 nan 8.300 nan 0.000 0.474 217 L N 0.306 121.479 121.223 -0.084 0.000 2.079 217 L HA -0.246 4.095 4.340 0.001 0.000 0.210 217 L C 2.787 179.604 176.870 -0.088 0.000 1.081 217 L CA 1.605 56.322 54.840 -0.204 0.000 0.752 217 L CB -1.007 40.967 42.059 -0.142 0.000 0.896 217 L HN 0.334 nan 8.230 nan 0.000 0.433 218 S N -0.878 114.814 115.700 -0.014 0.000 2.382 218 S HA -0.134 4.337 4.470 0.001 0.000 0.228 218 S C 1.878 176.484 174.600 0.010 0.000 1.027 218 S CA 1.236 59.437 58.200 0.001 0.000 0.991 218 S CB -0.696 62.516 63.200 0.019 0.000 0.823 218 S HN 0.185 nan 8.310 nan 0.000 0.469 219 V N 2.353 122.291 119.914 0.041 0.000 2.323 219 V HA 0.006 4.126 4.120 0.001 0.000 0.244 219 V C 3.162 179.277 176.094 0.035 0.000 1.041 219 V CA 1.524 63.856 62.300 0.053 0.000 1.025 219 V CB -1.442 30.448 31.823 0.111 0.000 0.656 219 V HN 0.663 nan 8.190 nan 0.000 0.451 220 A N 1.215 124.036 122.820 0.002 0.000 1.969 220 A HA -0.219 4.102 4.320 0.001 0.000 0.218 220 A C 2.243 179.807 177.584 -0.033 0.000 1.169 220 A CA 1.854 53.871 52.037 -0.033 0.000 0.635 220 A CB -0.490 18.412 19.000 -0.165 0.000 0.810 220 A HN 0.726 nan 8.150 nan 0.000 0.445 221 K N -0.518 119.856 120.400 -0.042 0.000 2.211 221 K HA -0.066 4.255 4.320 0.001 0.000 0.204 221 K C 1.714 178.309 176.600 -0.009 0.000 1.047 221 K CA 1.483 57.753 56.287 -0.030 0.000 0.935 221 K CB -0.763 31.718 32.500 -0.031 0.000 0.728 221 K HN 0.252 nan 8.250 nan 0.000 0.452 222 G N 0.972 109.773 108.800 0.002 0.000 2.471 222 G HA2 -0.176 3.784 3.960 0.001 0.000 0.219 222 G HA3 -0.176 3.784 3.960 0.001 0.000 0.219 222 G C 0.550 175.461 174.900 0.018 0.000 1.125 222 G CA 0.503 45.610 45.100 0.012 0.000 0.775 222 G HN 0.409 nan 8.290 nan 0.000 0.548 223 S N -1.069 114.643 115.700 0.020 0.000 2.638 223 S HA 0.417 4.888 4.470 0.001 0.000 0.298 223 S C 0.844 175.453 174.600 0.016 0.000 1.111 223 S CA -0.567 57.649 58.200 0.026 0.000 1.027 223 S CB 1.557 64.782 63.200 0.043 0.000 1.064 223 S HN 0.076 nan 8.310 nan 0.000 0.525 224 E N 0.931 121.140 120.200 0.016 0.000 2.442 224 E HA 0.088 4.439 4.350 0.001 0.000 0.195 224 E C -0.121 176.488 176.600 0.015 0.000 1.030 224 E CA 0.179 56.587 56.400 0.012 0.000 0.869 224 E CB 0.039 29.745 29.700 0.010 0.000 0.857 224 E HN 0.616 nan 8.360 nan 0.000 0.505 225 E N 2.109 122.323 120.200 0.023 0.000 2.299 225 E HA 0.096 4.446 4.350 0.001 0.000 0.272 225 E C -2.490 174.127 176.600 0.029 0.000 1.043 225 E CA -2.305 54.112 56.400 0.030 0.000 0.895 225 E CB 0.712 30.437 29.700 0.042 0.000 1.011 225 E HN -0.178 nan 8.360 nan 0.000 0.432 226 P HA 0.107 nan 4.420 nan 0.000 0.268 226 P C -2.484 174.841 177.300 0.042 0.000 1.204 226 P CA -0.822 62.294 63.100 0.028 0.000 0.768 226 P CB 0.381 32.101 31.700 0.034 0.000 0.842 227 P HA 0.241 nan 4.420 nan 0.000 0.282 227 P C -1.130 176.242 177.300 0.120 0.000 1.259 227 P CA -0.332 62.804 63.100 0.059 0.000 0.826 227 P CB 1.265 32.906 31.700 -0.099 0.000 1.064 228 V N -1.514 118.535 119.914 0.226 0.000 3.049 228 V HA 0.621 4.742 4.120 0.001 0.000 0.309 228 V C -1.430 174.882 176.094 0.363 0.000 1.148 228 V CA -0.998 61.449 62.300 0.245 0.000 0.990 228 V CB 2.154 34.070 31.823 0.155 0.000 1.039 228 V HN 0.391 nan 8.190 nan 0.000 0.430 229 F N 4.326 124.407 119.950 0.219 0.000 2.325 229 F HA 0.736 5.263 4.527 0.001 0.000 0.369 229 F C -0.552 175.267 175.800 0.031 0.000 1.095 229 F CA -1.038 57.069 58.000 0.179 0.000 1.082 229 F CB 1.487 40.645 39.000 0.263 0.000 1.289 229 F HN 0.713 nan 8.300 nan 0.000 0.462 230 L N 6.041 127.199 121.223 -0.109 0.000 2.313 230 L HA 0.354 4.695 4.340 0.001 0.000 0.282 230 L C -0.470 176.445 176.870 0.075 0.000 1.092 230 L CA 0.288 55.139 54.840 0.018 0.000 0.831 230 L CB 0.687 42.777 42.059 0.051 0.000 1.159 230 L HN 0.697 nan 8.230 nan 0.000 0.442 231 E N 6.435 126.761 120.200 0.210 0.000 2.185 231 E HA 0.500 4.851 4.350 0.001 0.000 0.261 231 E C -1.304 175.448 176.600 0.253 0.000 0.879 231 E CA -0.644 55.950 56.400 0.324 0.000 0.756 231 E CB 1.094 31.054 29.700 0.434 0.000 1.152 231 E HN 0.691 nan 8.360 nan 0.000 0.416 232 I N 0.879 121.574 120.570 0.208 0.000 2.646 232 I HA 0.587 4.758 4.170 0.001 0.000 0.299 232 I C -1.076 175.230 176.117 0.314 0.000 1.036 232 I CA -0.920 60.458 61.300 0.129 0.000 1.074 232 I CB 2.037 40.073 38.000 0.061 0.000 1.258 232 I HN 0.534 nan 8.210 nan 0.000 0.430 233 H N 3.640 122.784 119.070 0.124 0.000 2.637 233 H HA 0.432 4.988 4.556 0.001 0.000 0.363 233 H C -1.871 173.540 175.328 0.139 0.000 1.131 233 H CA -0.749 55.372 56.048 0.122 0.000 1.183 233 H CB 2.876 32.741 29.762 0.171 0.000 1.637 233 H HN 0.679 nan 8.280 nan 0.000 0.531 234 Y N 2.478 122.850 120.300 0.121 0.000 2.332 234 Y HA 0.258 4.809 4.550 0.001 0.000 0.326 234 Y C -0.964 174.968 175.900 0.054 0.000 0.978 234 Y CA -1.285 56.848 58.100 0.055 0.000 1.205 234 Y CB 0.881 39.343 38.460 0.003 0.000 1.131 234 Y HN 0.457 nan 8.280 nan 0.000 0.462 235 K N 4.753 124.878 120.400 -0.459 0.000 2.363 235 K HA 0.320 4.640 4.320 0.001 0.000 0.240 235 K C 0.947 177.176 176.600 -0.619 0.000 1.169 235 K CA 0.120 56.166 56.287 -0.401 0.000 1.131 235 K CB 0.524 32.943 32.500 -0.135 0.000 1.771 235 K HN 0.962 nan 8.250 nan 0.000 0.380 236 G N 0.248 108.497 108.800 -0.918 0.000 2.744 236 G HA2 -0.108 3.852 3.960 0.001 0.000 0.211 236 G HA3 -0.108 3.852 3.960 0.001 0.000 0.211 236 G C 0.563 175.357 174.900 -0.176 0.000 1.146 236 G CA -0.070 44.678 45.100 -0.587 0.000 0.787 236 G HN 0.435 nan 8.290 nan 0.000 0.534 237 S N 0.588 116.209 115.700 -0.132 0.000 2.576 237 S HA 0.307 4.778 4.470 0.001 0.000 0.276 237 S C -0.966 173.616 174.600 -0.030 0.000 1.339 237 S CA -1.025 57.152 58.200 -0.038 0.000 1.039 237 S CB 1.525 64.719 63.200 -0.009 0.000 0.902 237 S HN -0.042 nan 8.310 nan 0.000 0.516 238 P HA -0.032 nan 4.420 nan 0.000 0.220 238 P C -0.112 177.188 177.300 -0.000 0.000 1.148 238 P CA 0.743 63.843 63.100 -0.000 0.000 0.803 238 P CB -0.001 31.704 31.700 0.008 0.000 0.782 239 N N -0.279 118.423 118.700 0.003 0.000 2.462 239 N HA 0.251 4.991 4.740 0.001 0.000 0.242 239 N C 1.019 176.531 175.510 0.004 0.000 1.010 239 N CA -0.169 52.885 53.050 0.007 0.000 0.939 239 N CB 0.789 39.284 38.487 0.013 0.000 1.127 239 N HN -0.160 nan 8.380 nan 0.000 0.509 240 A N 2.710 125.533 122.820 0.004 0.000 1.978 240 A HA -0.178 4.142 4.320 0.001 0.000 0.220 240 A C 2.003 179.595 177.584 0.013 0.000 1.170 240 A CA 1.943 53.982 52.037 0.004 0.000 0.636 240 A CB -0.485 18.522 19.000 0.013 0.000 0.810 240 A HN 0.766 nan 8.150 nan 0.000 0.448 241 S N -0.660 115.051 115.700 0.018 0.000 2.603 241 S HA 0.111 4.582 4.470 0.001 0.000 0.220 241 S C 0.490 175.108 174.600 0.029 0.000 0.967 241 S CA 0.312 58.527 58.200 0.024 0.000 0.920 241 S CB -0.226 62.987 63.200 0.023 0.000 0.773 241 S HN 0.461 nan 8.310 nan 0.000 0.529 242 E N 3.558 123.774 120.200 0.027 0.000 2.417 242 E HA 0.230 4.580 4.350 0.001 0.000 0.261 242 E C -2.674 173.956 176.600 0.049 0.000 1.000 242 E CA -1.952 54.472 56.400 0.040 0.000 0.919 242 E CB 0.145 29.870 29.700 0.042 0.000 0.955 242 E HN 0.198 nan 8.360 nan 0.000 0.455 243 P HA 0.054 nan 4.420 nan 0.000 0.264 243 P C -2.455 174.891 177.300 0.077 0.000 1.193 243 P CA -0.697 62.449 63.100 0.076 0.000 0.763 243 P CB 0.371 32.125 31.700 0.090 0.000 0.810 244 P HA 0.233 nan 4.420 nan 0.000 0.278 244 P C -0.988 176.331 177.300 0.032 0.000 1.258 244 P CA -0.320 62.800 63.100 0.033 0.000 0.811 244 P CB 0.812 32.500 31.700 -0.020 0.000 1.063 245 L N 0.839 122.083 121.223 0.034 0.000 2.307 245 L HA 0.352 4.693 4.340 0.001 0.000 0.282 245 L C 0.187 177.109 176.870 0.087 0.000 1.051 245 L CA -0.455 54.405 54.840 0.033 0.000 0.804 245 L CB 1.382 43.481 42.059 0.067 0.000 1.197 245 L HN 0.104 nan 8.230 nan 0.000 0.431 246 V N 3.456 123.368 119.914 -0.003 0.000 2.459 246 V HA 0.467 4.588 4.120 0.001 0.000 0.295 246 V C -0.596 175.501 176.094 0.005 0.000 1.029 246 V CA -0.526 61.778 62.300 0.008 0.000 0.874 246 V CB 1.488 33.251 31.823 -0.099 0.000 0.985 246 V HN 0.359 nan 8.190 nan 0.000 0.438 247 F N 3.346 123.278 119.950 -0.030 0.000 2.469 247 F HA 0.741 5.268 4.527 0.000 0.000 0.332 247 F C 0.004 175.819 175.800 0.025 0.000 1.103 247 F CA -0.769 57.234 58.000 0.004 0.000 0.979 247 F CB 2.142 41.144 39.000 0.003 0.000 1.137 247 F HN 0.152 nan 8.300 nan 0.000 0.463 248 V N 1.760 121.773 119.914 0.165 0.000 2.638 248 V HA 0.861 4.981 4.120 0.001 0.000 0.306 248 V C -0.166 175.987 176.094 0.099 0.000 1.052 248 V CA -0.830 61.546 62.300 0.126 0.000 0.885 248 V CB 1.807 33.713 31.823 0.138 0.000 0.999 248 V HN 0.896 nan 8.190 nan 0.000 0.424 249 G N 2.339 111.158 108.800 0.032 0.000 2.617 249 G HA2 0.530 4.490 3.960 0.001 0.000 0.306 249 G HA3 0.530 4.490 3.960 0.001 0.000 0.306 249 G C -0.952 173.896 174.900 -0.086 0.000 1.360 249 G CA -0.799 44.303 45.100 0.003 0.000 0.983 249 G HN 0.703 nan 8.290 nan 0.000 0.496 250 K N 1.230 121.589 120.400 -0.069 0.000 2.402 250 K HA 0.324 4.644 4.320 0.001 0.000 0.285 250 K C 0.703 177.195 176.600 -0.180 0.000 1.054 250 K CA 0.008 56.223 56.287 -0.119 0.000 1.001 250 K CB 0.365 32.824 32.500 -0.068 0.000 0.946 250 K HN 0.450 nan 8.250 nan 0.000 0.473 251 G N 6.376 115.027 108.800 -0.248 0.000 4.699 251 G HA2 0.223 4.184 3.960 0.001 0.000 0.308 251 G HA3 0.223 4.184 3.960 0.001 0.000 0.308 251 G C -0.199 174.568 174.900 -0.221 0.000 1.399 251 G CA -0.522 44.386 45.100 -0.320 0.000 1.221 251 G HN 0.544 nan 8.290 nan 0.000 0.596 252 I N 3.005 123.482 120.570 -0.155 0.000 2.347 252 I HA 0.054 4.225 4.170 0.001 0.000 0.294 252 I C 1.969 178.032 176.117 -0.090 0.000 1.090 252 I CA 0.083 61.326 61.300 -0.095 0.000 1.314 252 I CB 0.307 38.249 38.000 -0.096 0.000 1.423 252 I HN 0.317 nan 8.210 nan 0.000 0.503 253 T N 3.372 117.900 114.554 -0.044 0.000 2.881 253 T HA -0.101 4.249 4.350 0.001 0.000 0.270 253 T C 0.341 175.115 174.700 0.124 0.000 1.068 253 T CA 0.892 62.999 62.100 0.012 0.000 1.131 253 T CB -0.008 68.881 68.868 0.035 0.000 0.871 253 T HN 0.323 nan 8.240 nan 0.000 0.479 254 F N 0.843 120.781 119.950 -0.019 0.000 2.623 254 F HA 0.467 4.994 4.527 0.001 0.000 0.323 254 F C -2.238 173.557 175.800 -0.008 0.000 1.158 254 F CA -1.636 56.358 58.000 -0.010 0.000 1.030 254 F CB 1.969 40.969 39.000 -0.001 0.000 1.280 254 F HN -0.124 nan 8.300 nan 0.000 0.474 255 D N 2.610 122.420 120.400 -0.983 0.000 2.461 255 D HA 0.252 4.893 4.640 0.001 0.000 0.240 255 D C 0.405 176.340 176.300 -0.608 0.000 1.094 255 D CA 0.087 53.753 54.000 -0.557 0.000 0.868 255 D CB 1.480 42.061 40.800 -0.364 0.000 1.062 255 D HN 0.439 nan 8.370 nan 0.000 0.530 256 S N 2.083 117.683 115.700 -0.166 0.000 2.524 256 S HA 0.289 4.760 4.470 0.001 0.000 0.216 256 S C 1.662 176.267 174.600 0.008 0.000 0.987 256 S CA 0.602 58.845 58.200 0.072 0.000 0.909 256 S CB 0.264 63.620 63.200 0.260 0.000 0.781 256 S HN 0.746 nan 8.310 nan 0.000 0.521 257 G N 0.575 109.353 108.800 -0.036 0.000 2.234 257 G HA2 0.131 4.092 3.960 0.001 0.000 0.235 257 G HA3 0.131 4.092 3.960 0.001 0.000 0.235 257 G C 1.257 176.154 174.900 -0.006 0.000 0.997 257 G CA 0.311 45.394 45.100 -0.028 0.000 0.623 257 G HN 1.821 nan 8.290 nan 0.000 0.514 258 G N 0.286 109.097 108.800 0.017 0.000 2.512 258 G HA2 -0.146 3.814 3.960 0.001 0.000 0.254 258 G HA3 -0.146 3.814 3.960 0.001 0.000 0.254 258 G C 0.909 175.820 174.900 0.018 0.000 1.199 258 G CA 0.479 45.592 45.100 0.021 0.000 0.941 258 G HN 0.964 nan 8.290 nan 0.000 0.569 259 I N 1.344 121.922 120.570 0.013 0.000 2.335 259 I HA -0.059 4.111 4.170 0.001 0.000 0.251 259 I C 2.136 178.257 176.117 0.008 0.000 1.129 259 I CA 2.070 63.377 61.300 0.011 0.000 1.402 259 I CB -1.290 36.715 38.000 0.008 0.000 1.069 259 I HN 0.326 nan 8.210 nan 0.000 0.424 260 S N 1.799 117.500 115.700 0.003 0.000 3.983 260 S HA 0.259 4.729 4.470 0.001 0.000 0.194 260 S C 0.567 175.168 174.600 0.001 0.000 1.464 260 S CA -0.294 57.906 58.200 -0.000 0.000 1.021 260 S CB -0.617 62.578 63.200 -0.008 0.000 1.424 260 S HN 0.189 nan 8.310 nan 0.000 0.473 261 I N 2.312 122.887 120.570 0.009 0.000 2.815 261 I HA -0.036 4.134 4.170 0.001 0.000 0.291 261 I C 0.600 176.724 176.117 0.013 0.000 1.209 261 I CA 0.243 61.553 61.300 0.016 0.000 1.431 261 I CB 0.470 38.486 38.000 0.026 0.000 1.351 261 I HN 0.290 nan 8.210 nan 0.000 0.585 262 K N 5.490 125.898 120.400 0.015 0.000 2.138 262 K HA 0.440 4.761 4.320 0.001 0.000 0.251 262 K C -0.105 176.508 176.600 0.022 0.000 1.015 262 K CA -0.629 55.664 56.287 0.009 0.000 0.917 262 K CB 0.757 33.257 32.500 -0.001 0.000 1.021 262 K HN 0.695 nan 8.250 nan 0.000 0.485 263 A N 0.776 123.606 122.820 0.017 0.000 2.366 263 A HA 0.342 4.663 4.320 0.001 0.000 0.249 263 A C 1.016 178.620 177.584 0.032 0.000 1.084 263 A CA 0.434 52.484 52.037 0.021 0.000 0.794 263 A CB 0.544 19.553 19.000 0.015 0.000 1.034 263 A HN 0.853 nan 8.150 nan 0.000 0.491 264 A N 1.433 124.273 122.820 0.034 0.000 1.897 264 A HA 0.372 4.693 4.320 0.001 0.000 0.215 264 A C 1.600 179.209 177.584 0.043 0.000 1.181 264 A CA 1.226 53.289 52.037 0.043 0.000 0.620 264 A CB -1.093 17.928 19.000 0.035 0.000 0.821 264 A HN 2.081 nan 8.150 nan 0.000 0.443 265 A N 0.119 122.958 122.820 0.031 0.000 2.553 265 A HA 0.287 4.607 4.320 0.001 0.000 0.258 265 A C 0.664 178.266 177.584 0.032 0.000 1.069 265 A CA 0.659 52.713 52.037 0.028 0.000 0.767 265 A CB -1.089 17.923 19.000 0.020 0.000 0.997 265 A HN 0.767 nan 8.150 nan 0.000 0.512 266 N N 0.754 119.476 118.700 0.037 0.000 2.708 266 N HA -0.244 4.496 4.740 0.001 0.000 0.251 266 N C 0.709 176.253 175.510 0.055 0.000 1.123 266 N CA 1.002 54.077 53.050 0.041 0.000 0.739 266 N CB -1.203 37.300 38.487 0.027 0.000 1.113 266 N HN 0.809 nan 8.380 nan 0.000 0.561 267 M N 0.686 120.332 119.600 0.078 0.000 2.446 267 M HA -0.150 4.330 4.480 0.001 0.000 0.263 267 M C 1.700 178.122 176.300 0.202 0.000 1.066 267 M CA 1.852 57.221 55.300 0.114 0.000 1.087 267 M CB -0.117 32.580 32.600 0.161 0.000 1.406 267 M HN 0.312 nan 8.290 nan 0.000 0.459 268 D N 0.474 120.981 120.400 0.179 0.000 2.182 268 D HA -0.232 4.408 4.640 0.001 0.000 0.201 268 D C 1.664 178.079 176.300 0.192 0.000 0.986 268 D CA 1.200 55.326 54.000 0.210 0.000 0.847 268 D CB -0.828 40.042 40.800 0.116 0.000 0.942 268 D HN 0.438 nan 8.370 nan 0.000 0.467 269 L N -0.267 121.018 121.223 0.104 0.000 2.353 269 L HA -0.078 4.262 4.340 0.001 0.000 0.220 269 L C 2.351 179.231 176.870 0.017 0.000 1.133 269 L CA 0.328 55.201 54.840 0.056 0.000 0.798 269 L CB -0.390 41.684 42.059 0.025 0.000 0.922 269 L HN -0.008 nan 8.230 nan 0.000 0.445 270 M N 0.106 119.687 119.600 -0.032 0.000 2.700 270 M HA -0.100 4.381 4.480 0.001 0.000 0.249 270 M C 2.147 178.330 176.300 -0.194 0.000 1.082 270 M CA 1.104 56.249 55.300 -0.257 0.000 1.077 270 M CB -0.932 31.294 32.600 -0.622 0.000 1.477 270 M HN 0.404 nan 8.290 nan 0.000 0.529 271 R N 0.034 120.609 120.500 0.124 0.000 2.237 271 R HA 0.096 4.436 4.340 0.001 0.000 0.219 271 R C 1.393 177.731 176.300 0.063 0.000 1.080 271 R CA 1.298 57.529 56.100 0.218 0.000 0.995 271 R CB -0.474 29.959 30.300 0.222 0.000 0.875 271 R HN 0.200 nan 8.270 nan 0.000 0.462 272 A N 1.053 123.880 122.820 0.011 0.000 2.379 272 A HA 0.057 4.378 4.320 0.001 0.000 0.236 272 A C 0.677 178.234 177.584 -0.045 0.000 1.272 272 A CA -0.017 52.014 52.037 -0.011 0.000 0.886 272 A CB 0.052 19.050 19.000 -0.004 0.000 0.962 272 A HN 0.204 nan 8.150 nan 0.000 0.504 273 D N 0.127 120.477 120.400 -0.082 0.000 2.378 273 D HA -0.043 4.597 4.640 0.001 0.000 0.227 273 D C 1.198 177.435 176.300 -0.105 0.000 1.012 273 D CA 0.776 54.712 54.000 -0.105 0.000 0.905 273 D CB 0.052 40.755 40.800 -0.161 0.000 0.895 273 D HN 0.496 nan 8.370 nan 0.000 0.532 274 M N -3.077 116.460 119.600 -0.104 0.000 2.475 274 M HA 0.443 4.923 4.480 0.001 0.000 0.283 274 M C 1.666 177.901 176.300 -0.108 0.000 1.165 274 M CA -0.392 54.807 55.300 -0.169 0.000 0.976 274 M CB -0.000 32.435 32.600 -0.274 0.000 1.428 274 M HN -0.178 nan 8.290 nan 0.000 0.495 275 G N 0.999 109.770 108.800 -0.049 0.000 2.450 275 G HA2 -0.058 3.903 3.960 0.001 0.000 0.220 275 G HA3 -0.058 3.903 3.960 0.001 0.000 0.220 275 G C 1.402 176.304 174.900 0.004 0.000 1.130 275 G CA 0.752 45.847 45.100 -0.007 0.000 0.760 275 G HN 0.622 nan 8.290 nan 0.000 0.557 276 G N 1.104 109.896 108.800 -0.014 0.000 2.421 276 G HA2 0.032 3.993 3.960 0.001 0.000 0.216 276 G HA3 0.032 3.993 3.960 0.001 0.000 0.216 276 G C 2.048 176.959 174.900 0.018 0.000 1.171 276 G CA 1.525 46.630 45.100 0.009 0.000 0.775 276 G HN 0.625 nan 8.290 nan 0.000 0.543 277 A N 1.120 123.916 122.820 -0.040 0.000 1.898 277 A HA 0.297 4.618 4.320 0.001 0.000 0.216 277 A C 2.819 180.530 177.584 0.213 0.000 1.181 277 A CA 2.214 54.240 52.037 -0.017 0.000 0.620 277 A CB -0.782 18.022 19.000 -0.327 0.000 0.819 277 A HN 0.770 nan 8.150 nan 0.000 0.442 278 A N -0.131 122.822 122.820 0.222 0.000 1.877 278 A HA -0.124 4.197 4.320 0.001 0.000 0.216 278 A C 2.486 180.132 177.584 0.104 0.000 1.186 278 A CA 2.703 54.905 52.037 0.275 0.000 0.620 278 A CB -1.460 17.662 19.000 0.204 0.000 0.822 278 A HN 0.759 nan 8.150 nan 0.000 0.443 279 T N -0.326 114.266 114.554 0.064 0.000 2.777 279 T HA -0.146 4.204 4.350 0.001 0.000 0.266 279 T C 1.790 176.500 174.700 0.017 0.000 1.040 279 T CA 1.620 63.736 62.100 0.026 0.000 1.141 279 T CB -0.837 68.049 68.868 0.030 0.000 0.868 279 T HN 0.726 nan 8.240 nan 0.000 0.444 280 I N 0.133 120.739 120.570 0.060 0.000 2.353 280 I HA 0.082 4.252 4.170 0.001 0.000 0.248 280 I C 2.503 178.590 176.117 -0.050 0.000 1.119 280 I CA 0.537 61.866 61.300 0.048 0.000 1.417 280 I CB -1.179 36.944 38.000 0.205 0.000 1.078 280 I HN 0.211 nan 8.210 nan 0.000 0.421 281 C N 0.226 119.534 119.300 0.012 0.000 2.440 281 C HA -0.071 4.389 4.460 0.001 0.000 0.278 281 C C 3.188 178.112 174.990 -0.110 0.000 1.295 281 C CA 1.356 60.356 59.018 -0.030 0.000 1.738 281 C CB -1.213 26.548 27.740 0.035 0.000 1.987 281 C HN 0.707 nan 8.230 nan 0.000 0.492 282 S N 0.308 115.946 115.700 -0.104 0.000 2.383 282 S HA -0.043 4.428 4.470 0.001 0.000 0.227 282 S C 2.059 176.547 174.600 -0.186 0.000 1.026 282 S CA 1.249 59.362 58.200 -0.145 0.000 0.981 282 S CB -0.248 62.878 63.200 -0.123 0.000 0.818 282 S HN 0.614 nan 8.310 nan 0.000 0.472 283 A N 1.325 124.029 122.820 -0.193 0.000 1.902 283 A HA -0.016 4.305 4.320 0.001 0.000 0.217 283 A C 2.024 179.419 177.584 -0.315 0.000 1.181 283 A CA 1.356 53.241 52.037 -0.254 0.000 0.623 283 A CB -0.676 18.172 19.000 -0.252 0.000 0.818 283 A HN 0.602 nan 8.150 nan 0.000 0.443 284 I N -0.573 119.807 120.570 -0.317 0.000 2.252 284 I HA -0.195 3.975 4.170 0.001 0.000 0.245 284 I C 2.332 178.274 176.117 -0.292 0.000 1.102 284 I CA 0.941 62.058 61.300 -0.305 0.000 1.385 284 I CB -0.322 37.540 38.000 -0.229 0.000 1.064 284 I HN 0.146 nan 8.210 nan 0.000 0.414 285 V N 0.323 120.092 119.914 -0.242 0.000 2.287 285 V HA -0.298 3.822 4.120 0.001 0.000 0.248 285 V C 2.538 178.470 176.094 -0.271 0.000 1.053 285 V CA 2.308 64.468 62.300 -0.232 0.000 1.027 285 V CB -0.620 31.090 31.823 -0.188 0.000 0.646 285 V HN 0.388 nan 8.190 nan 0.000 0.447 286 S N 0.112 115.646 115.700 -0.278 0.000 2.368 286 S HA -0.153 4.318 4.470 0.001 0.000 0.225 286 S C 2.214 176.616 174.600 -0.331 0.000 1.030 286 S CA 1.337 59.355 58.200 -0.303 0.000 0.999 286 S CB -0.517 62.468 63.200 -0.358 0.000 0.844 286 S HN 0.657 nan 8.310 nan 0.000 0.459 287 A N 1.604 124.212 122.820 -0.353 0.000 1.940 287 A HA 0.064 4.385 4.320 0.001 0.000 0.219 287 A C 2.342 179.615 177.584 -0.519 0.000 1.176 287 A CA 1.738 53.571 52.037 -0.339 0.000 0.631 287 A CB -1.025 17.802 19.000 -0.289 0.000 0.814 287 A HN 0.520 nan 8.150 nan 0.000 0.446 288 A N -0.171 122.204 122.820 -0.741 0.000 1.898 288 A HA -0.130 4.190 4.320 0.001 0.000 0.216 288 A C 2.090 179.436 177.584 -0.396 0.000 1.181 288 A CA 1.706 53.166 52.037 -0.962 0.000 0.620 288 A CB -0.400 18.161 19.000 -0.732 0.000 0.819 288 A HN 0.549 nan 8.150 nan 0.000 0.442 289 K N -0.345 119.889 120.400 -0.277 0.000 2.097 289 K HA -0.019 4.301 4.320 0.001 0.000 0.206 289 K C 1.598 178.131 176.600 -0.112 0.000 1.049 289 K CA 1.290 57.482 56.287 -0.158 0.000 0.933 289 K CB -0.356 32.056 32.500 -0.147 0.000 0.717 289 K HN 0.440 nan 8.250 nan 0.000 0.442 290 L N 0.593 121.736 121.223 -0.133 0.000 2.465 290 L HA -0.085 4.256 4.340 0.001 0.000 0.224 290 L C 0.149 177.023 176.870 0.006 0.000 1.145 290 L CA 0.398 55.203 54.840 -0.059 0.000 0.834 290 L CB -0.386 41.636 42.059 -0.062 0.000 0.944 290 L HN 0.314 nan 8.230 nan 0.000 0.451 291 D N 0.055 120.456 120.400 0.002 0.000 2.800 291 D HA -0.195 4.446 4.640 0.001 0.000 0.232 291 D C 0.003 176.425 176.300 0.202 0.000 1.137 291 D CA 0.308 54.386 54.000 0.131 0.000 0.718 291 D CB -0.986 39.876 40.800 0.103 0.000 1.084 291 D HN 0.118 nan 8.370 nan 0.000 0.432 292 L N 0.072 121.420 121.223 0.207 0.000 2.525 292 L HA 0.164 4.504 4.340 0.001 0.000 0.278 292 L C -1.090 175.942 176.870 0.270 0.000 1.218 292 L CA -0.940 54.043 54.840 0.238 0.000 0.878 292 L CB 0.125 42.314 42.059 0.216 0.000 1.127 292 L HN 0.091 nan 8.230 nan 0.000 0.492 293 P HA 0.132 nan 4.420 nan 0.000 0.228 293 P C -0.698 176.662 177.300 0.099 0.000 1.748 293 P CA 0.313 63.477 63.100 0.108 0.000 0.909 293 P CB -0.514 31.233 31.700 0.079 0.000 1.882 294 I N -2.997 117.644 120.570 0.117 0.000 2.994 294 I HA 0.549 4.720 4.170 0.001 0.000 0.306 294 I C -0.952 175.173 176.117 0.013 0.000 1.195 294 I CA -1.474 59.892 61.300 0.109 0.000 1.001 294 I CB 2.090 40.209 38.000 0.199 0.000 1.244 294 I HN -0.318 nan 8.210 nan 0.000 0.437 295 N N 3.760 122.467 118.700 0.011 0.000 2.438 295 N HA 0.712 5.452 4.740 0.001 0.000 0.282 295 N C -1.039 174.491 175.510 0.032 0.000 1.037 295 N CA -0.182 52.843 53.050 -0.041 0.000 0.942 295 N CB 1.842 40.310 38.487 -0.033 0.000 1.136 295 N HN 0.553 nan 8.380 nan 0.000 0.481 296 I N 0.722 121.326 120.570 0.056 0.000 2.686 296 I HA 0.420 4.591 4.170 0.001 0.000 0.295 296 I C -0.726 175.418 176.117 0.047 0.000 1.114 296 I CA -1.045 60.309 61.300 0.091 0.000 1.038 296 I CB 2.343 40.421 38.000 0.132 0.000 1.238 296 I HN -0.061 nan 8.210 nan 0.000 0.420 297 V N 3.101 123.013 119.914 -0.003 0.000 2.588 297 V HA 0.761 4.882 4.120 0.001 0.000 0.304 297 V C 0.181 176.293 176.094 0.031 0.000 1.042 297 V CA -0.449 61.806 62.300 -0.075 0.000 0.877 297 V CB 1.960 33.478 31.823 -0.508 0.000 0.996 297 V HN 0.925 nan 8.190 nan 0.000 0.425 298 G N 4.305 113.159 108.800 0.090 0.000 2.470 298 G HA2 0.745 4.706 3.960 0.001 0.000 0.320 298 G HA3 0.745 4.706 3.960 0.001 0.000 0.320 298 G C -1.286 173.690 174.900 0.128 0.000 1.245 298 G CA -0.536 44.633 45.100 0.114 0.000 0.935 298 G HN 0.577 nan 8.290 nan 0.000 0.476 299 L N 1.527 122.823 121.223 0.122 0.000 2.381 299 L HA 0.725 5.065 4.340 0.001 0.000 0.274 299 L C -0.027 176.765 176.870 -0.129 0.000 0.988 299 L CA -0.991 53.908 54.840 0.099 0.000 0.824 299 L CB 2.371 44.624 42.059 0.322 0.000 1.263 299 L HN 0.634 nan 8.230 nan 0.000 0.410 300 A N 4.709 127.289 122.820 -0.400 0.000 2.605 300 A HA 0.659 4.980 4.320 0.001 0.000 0.293 300 A C -2.720 174.441 177.584 -0.705 0.000 1.216 300 A CA -1.260 50.522 52.037 -0.426 0.000 0.742 300 A CB 0.790 19.685 19.000 -0.175 0.000 1.170 300 A HN 0.330 nan 8.150 nan 0.000 0.443 301 P HA 0.410 nan 4.420 nan 0.000 0.276 301 P C -0.908 176.096 177.300 -0.494 0.000 1.243 301 P CA 0.152 62.688 63.100 -0.940 0.000 0.768 301 P CB 1.058 31.972 31.700 -1.309 0.000 0.856 302 L N 5.160 126.319 121.223 -0.107 0.000 2.385 302 L HA 0.663 5.004 4.340 0.001 0.000 0.273 302 L C 0.374 177.376 176.870 0.220 0.000 0.990 302 L CA -0.427 54.405 54.840 -0.014 0.000 0.821 302 L CB 1.855 43.858 42.059 -0.093 0.000 1.279 302 L HN 0.659 nan 8.230 nan 0.000 0.412 303 C N -0.166 119.225 119.300 0.152 0.000 3.216 303 C HA 0.567 5.028 4.460 0.001 0.000 0.346 303 C C -1.001 174.046 174.990 0.094 0.000 1.384 303 C CA -0.967 58.145 59.018 0.156 0.000 1.208 303 C CB 1.484 29.367 27.740 0.239 0.000 1.483 303 C HN 0.872 nan 8.230 nan 0.000 0.453 304 E N 0.763 121.016 120.200 0.089 0.000 2.227 304 E HA 0.380 4.731 4.350 0.001 0.000 0.268 304 E C -0.848 175.799 176.600 0.079 0.000 0.990 304 E CA -0.424 56.034 56.400 0.096 0.000 0.856 304 E CB 1.431 31.204 29.700 0.121 0.000 1.159 304 E HN 0.641 nan 8.360 nan 0.000 0.401 305 N N 2.469 121.212 118.700 0.072 0.000 2.626 305 N HA 0.205 4.945 4.740 0.001 0.000 0.242 305 N C -1.212 174.344 175.510 0.077 0.000 1.005 305 N CA -0.260 52.818 53.050 0.045 0.000 0.905 305 N CB 0.418 38.903 38.487 -0.004 0.000 1.128 305 N HN 0.258 nan 8.380 nan 0.000 0.512 306 M N 2.887 122.531 119.600 0.074 0.000 2.591 306 M HA 0.532 5.012 4.480 0.001 0.000 0.306 306 M C -2.611 173.720 176.300 0.051 0.000 1.190 306 M CA -2.015 53.334 55.300 0.082 0.000 0.889 306 M CB 1.777 34.426 32.600 0.082 0.000 1.728 306 M HN 0.330 nan 8.290 nan 0.000 0.458 307 P HA 0.456 nan 4.420 nan 0.000 0.288 307 P C -1.021 176.295 177.300 0.025 0.000 1.267 307 P CA -0.128 62.991 63.100 0.032 0.000 0.815 307 P CB 1.510 33.230 31.700 0.033 0.000 0.989 308 S N 0.349 116.060 115.700 0.018 0.000 2.671 308 S HA 0.463 4.933 4.470 0.001 0.000 0.270 308 S C 0.938 175.544 174.600 0.010 0.000 1.166 308 S CA -0.170 58.038 58.200 0.013 0.000 0.868 308 S CB 0.251 63.458 63.200 0.013 0.000 1.190 308 S HN 0.388 nan 8.310 nan 0.000 0.494 309 G N 0.333 109.137 108.800 0.007 0.000 2.848 309 G HA2 0.148 4.108 3.960 0.001 0.000 0.208 309 G HA3 0.148 4.108 3.960 0.001 0.000 0.208 309 G C 0.699 175.602 174.900 0.004 0.000 1.152 309 G CA 0.616 45.719 45.100 0.005 0.000 0.789 309 G HN 0.914 nan 8.290 nan 0.000 0.531 310 K N -0.854 119.548 120.400 0.004 0.000 2.564 310 K HA 0.648 4.968 4.320 0.001 0.000 0.201 310 K C 0.606 177.207 176.600 0.002 0.000 1.086 310 K CA -0.307 55.981 56.287 0.001 0.000 1.062 310 K CB 0.910 33.409 32.500 -0.001 0.000 0.849 310 K HN 0.083 nan 8.250 nan 0.000 0.529 311 A N 1.507 124.330 122.820 0.005 0.000 2.313 311 A HA 0.192 4.512 4.320 0.001 0.000 0.261 311 A C -0.369 177.218 177.584 0.006 0.000 1.090 311 A CA -0.457 51.585 52.037 0.007 0.000 0.807 311 A CB -0.044 18.963 19.000 0.012 0.000 1.055 311 A HN 0.486 nan 8.150 nan 0.000 0.492 312 N N 0.026 118.729 118.700 0.006 0.000 2.353 312 N HA 0.078 4.818 4.740 0.001 0.000 0.248 312 N C -0.487 175.026 175.510 0.006 0.000 1.240 312 N CA 0.801 53.854 53.050 0.006 0.000 0.862 312 N CB 0.231 38.722 38.487 0.006 0.000 1.086 312 N HN 0.498 nan 8.380 nan 0.000 0.453 313 K N 3.069 123.472 120.400 0.006 0.000 2.270 313 K HA 0.381 4.701 4.320 0.001 0.000 0.255 313 K C -2.573 174.030 176.600 0.005 0.000 0.936 313 K CA -1.804 54.486 56.287 0.005 0.000 0.809 313 K CB 1.893 34.397 32.500 0.005 0.000 1.131 313 K HN 0.292 nan 8.250 nan 0.000 0.427 314 P HA -0.094 nan 4.420 nan 0.000 0.264 314 P C 0.630 177.934 177.300 0.007 0.000 1.183 314 P CA 1.165 64.267 63.100 0.004 0.000 0.763 314 P CB 0.518 32.220 31.700 0.003 0.000 0.807 315 G N 1.894 110.699 108.800 0.009 0.000 2.217 315 G HA2 -0.198 3.762 3.960 0.001 0.000 0.246 315 G HA3 -0.198 3.762 3.960 0.001 0.000 0.246 315 G C 0.061 174.969 174.900 0.014 0.000 0.990 315 G CA -0.272 44.834 45.100 0.011 0.000 0.627 315 G HN 0.496 nan 8.290 nan 0.000 0.522 316 D N 0.258 120.667 120.400 0.014 0.000 2.423 316 D HA 0.453 5.094 4.640 0.001 0.000 0.238 316 D C 0.428 176.742 176.300 0.024 0.000 1.142 316 D CA 0.270 54.279 54.000 0.016 0.000 0.884 316 D CB 1.663 42.471 40.800 0.013 0.000 1.199 316 D HN 0.205 nan 8.370 nan 0.000 0.438 317 V N 2.433 122.362 119.914 0.025 0.000 2.448 317 V HA 0.395 4.515 4.120 0.001 0.000 0.295 317 V C 0.143 176.257 176.094 0.034 0.000 1.025 317 V CA -0.728 61.592 62.300 0.034 0.000 0.859 317 V CB 1.630 33.470 31.823 0.028 0.000 0.988 317 V HN 0.402 nan 8.190 nan 0.000 0.431 318 V N 2.890 122.834 119.914 0.049 0.000 2.919 318 V HA 0.732 4.852 4.120 0.001 0.000 0.316 318 V C -0.415 175.713 176.094 0.057 0.000 1.077 318 V CA -1.127 61.201 62.300 0.045 0.000 0.977 318 V CB 1.952 33.803 31.823 0.046 0.000 1.039 318 V HN 0.852 nan 8.190 nan 0.000 0.441 319 R N 2.135 122.660 120.500 0.043 0.000 2.310 319 R HA 0.768 5.109 4.340 0.001 0.000 0.324 319 R C 0.085 176.416 176.300 0.051 0.000 0.955 319 R CA -0.029 56.099 56.100 0.047 0.000 0.830 319 R CB 1.333 31.646 30.300 0.023 0.000 1.154 319 R HN 1.207 nan 8.270 nan 0.000 0.458 320 A N 3.190 126.061 122.820 0.085 0.000 2.327 320 A HA 0.155 4.475 4.320 0.001 0.000 0.255 320 A C 1.083 178.703 177.584 0.059 0.000 1.099 320 A CA -0.342 51.741 52.037 0.076 0.000 0.801 320 A CB 0.491 19.576 19.000 0.142 0.000 1.062 320 A HN 1.032 nan 8.150 nan 0.000 0.496 321 R N 0.327 120.852 120.500 0.042 0.000 2.117 321 R HA -0.198 4.142 4.340 0.001 0.000 0.243 321 R C 1.454 177.768 176.300 0.023 0.000 1.143 321 R CA 2.147 58.256 56.100 0.014 0.000 0.968 321 R CB -0.493 29.814 30.300 0.011 0.000 0.863 321 R HN 0.961 nan 8.270 nan 0.000 0.444 322 N N -1.657 117.082 118.700 0.064 0.000 2.461 322 N HA 0.022 4.762 4.740 0.001 0.000 0.188 322 N C 0.877 176.391 175.510 0.007 0.000 1.134 322 N CA 0.482 53.548 53.050 0.027 0.000 0.878 322 N CB 0.552 39.054 38.487 0.024 0.000 0.972 322 N HN 0.299 nan 8.380 nan 0.000 0.456 323 G N 0.898 109.712 108.800 0.023 0.000 2.195 323 G HA2 -0.340 3.621 3.960 0.001 0.000 0.246 323 G HA3 -0.340 3.621 3.960 0.001 0.000 0.246 323 G C -0.037 174.871 174.900 0.013 0.000 0.984 323 G CA 0.083 45.187 45.100 0.006 0.000 0.633 323 G HN 0.504 nan 8.290 nan 0.000 0.525 324 K N 2.008 122.430 120.400 0.038 0.000 2.322 324 K HA 0.479 4.799 4.320 0.001 0.000 0.283 324 K C 0.933 177.584 176.600 0.084 0.000 1.042 324 K CA 0.389 56.687 56.287 0.020 0.000 0.958 324 K CB 0.298 32.762 32.500 -0.060 0.000 0.984 324 K HN 0.314 nan 8.250 nan 0.000 0.473 325 T N 1.712 116.294 114.554 0.046 0.000 2.889 325 T HA 0.488 4.838 4.350 0.001 0.000 0.291 325 T C 0.219 174.981 174.700 0.103 0.000 0.995 325 T CA -0.766 61.375 62.100 0.067 0.000 1.092 325 T CB 0.609 69.498 68.868 0.035 0.000 0.954 325 T HN 0.427 nan 8.240 nan 0.000 0.506 326 I N 1.893 122.544 120.570 0.135 0.000 2.466 326 I HA 0.326 4.496 4.170 0.001 0.000 0.289 326 I C -0.068 176.129 176.117 0.132 0.000 1.026 326 I CA -0.898 60.517 61.300 0.191 0.000 1.078 326 I CB 2.302 40.477 38.000 0.291 0.000 1.249 326 I HN 0.672 nan 8.210 nan 0.000 0.429 327 Q N 5.611 125.485 119.800 0.123 0.000 2.322 327 Q HA 0.352 4.693 4.340 0.001 0.000 0.256 327 Q C -1.117 174.926 176.000 0.072 0.000 0.960 327 Q CA -0.569 55.281 55.803 0.077 0.000 0.934 327 Q CB 1.420 30.192 28.738 0.057 0.000 1.200 327 Q HN 0.577 nan 8.270 nan 0.000 0.435 328 V N 5.684 125.626 119.914 0.047 0.000 2.153 328 V HA -0.002 4.118 4.120 0.001 0.000 0.250 328 V C 0.337 176.436 176.094 0.008 0.000 1.334 328 V CA -0.060 62.252 62.300 0.020 0.000 1.249 328 V CB 0.284 32.116 31.823 0.015 0.000 1.371 328 V HN 0.836 nan 8.190 nan 0.000 0.498 329 D N 2.427 122.830 120.400 0.005 0.000 2.224 329 D HA -0.046 4.594 4.640 0.001 0.000 0.205 329 D C 0.915 177.210 176.300 -0.008 0.000 0.965 329 D CA 1.209 55.210 54.000 0.001 0.000 0.852 329 D CB 0.160 40.961 40.800 0.002 0.000 0.947 329 D HN 0.641 nan 8.370 nan 0.000 0.494 330 N N -1.238 117.449 118.700 -0.021 0.000 2.480 330 N HA 0.068 4.808 4.740 0.001 0.000 0.289 330 N C 0.768 176.256 175.510 -0.035 0.000 1.073 330 N CA -0.110 52.924 53.050 -0.026 0.000 0.885 330 N CB 1.294 39.763 38.487 -0.031 0.000 1.421 330 N HN -0.207 nan 8.380 nan 0.000 0.503 331 T N -0.384 114.156 114.554 -0.024 0.000 3.007 331 T HA -0.118 4.232 4.350 0.001 0.000 0.270 331 T C 1.103 175.781 174.700 -0.036 0.000 1.107 331 T CA 1.003 63.088 62.100 -0.025 0.000 1.118 331 T CB -0.070 68.793 68.868 -0.010 0.000 0.889 331 T HN 0.409 nan 8.240 nan 0.000 0.506 332 D N 1.538 121.913 120.400 -0.042 0.000 2.349 332 D HA 0.243 4.883 4.640 0.001 0.000 0.224 332 D C 1.067 177.323 176.300 -0.074 0.000 1.029 332 D CA 0.182 54.150 54.000 -0.053 0.000 0.879 332 D CB -0.280 40.494 40.800 -0.044 0.000 0.906 332 D HN 0.562 nan 8.370 nan 0.000 0.528 333 A N 1.071 123.838 122.820 -0.088 0.000 3.260 333 A HA 0.148 4.468 4.320 0.001 0.000 0.268 333 A C 1.387 178.880 177.584 -0.151 0.000 1.491 333 A CA -0.366 51.593 52.037 -0.131 0.000 1.181 333 A CB -0.218 18.686 19.000 -0.158 0.000 1.137 333 A HN 0.159 nan 8.150 nan 0.000 0.642 334 E N 0.277 120.411 120.200 -0.109 0.000 2.318 334 E HA -0.037 4.313 4.350 0.001 0.000 0.193 334 E C 1.494 178.038 176.600 -0.094 0.000 0.998 334 E CA 1.214 57.562 56.400 -0.087 0.000 0.859 334 E CB -0.819 28.853 29.700 -0.047 0.000 0.812 334 E HN 0.381 nan 8.360 nan 0.000 0.492 335 G N 2.832 111.567 108.800 -0.108 0.000 2.440 335 G HA2 -0.347 3.614 3.960 0.001 0.000 0.218 335 G HA3 -0.347 3.614 3.960 0.001 0.000 0.218 335 G C 1.879 176.708 174.900 -0.119 0.000 1.154 335 G CA 1.373 46.413 45.100 -0.100 0.000 0.767 335 G HN 0.466 nan 8.290 nan 0.000 0.552 336 R N 0.223 120.608 120.500 -0.192 0.000 2.148 336 R HA 0.165 4.505 4.340 0.001 0.000 0.227 336 R C 2.276 178.476 176.300 -0.166 0.000 1.103 336 R CA 0.857 56.817 56.100 -0.233 0.000 0.983 336 R CB -0.593 29.377 30.300 -0.551 0.000 0.874 336 R HN 0.380 nan 8.270 nan 0.000 0.451 337 L N 1.671 122.789 121.223 -0.174 0.000 2.027 337 L HA -0.095 4.246 4.340 0.001 0.000 0.206 337 L C 2.812 179.666 176.870 -0.026 0.000 1.074 337 L CA 1.492 56.293 54.840 -0.064 0.000 0.745 337 L CB -0.587 41.451 42.059 -0.036 0.000 0.898 337 L HN 0.282 nan 8.230 nan 0.000 0.433 338 I N -2.205 118.350 120.570 -0.026 0.000 2.394 338 I HA -0.225 3.945 4.170 0.001 0.000 0.251 338 I C 2.257 178.300 176.117 -0.123 0.000 1.136 338 I CA 1.357 62.619 61.300 -0.062 0.000 1.425 338 I CB -0.281 37.624 38.000 -0.158 0.000 1.079 338 I HN 0.142 nan 8.210 nan 0.000 0.425 339 L N 1.492 122.660 121.223 -0.093 0.000 2.141 339 L HA -0.049 4.292 4.340 0.001 0.000 0.209 339 L C 3.108 179.941 176.870 -0.062 0.000 1.094 339 L CA 1.031 55.842 54.840 -0.049 0.000 0.763 339 L CB -0.725 41.328 42.059 -0.011 0.000 0.908 339 L HN 0.360 nan 8.230 nan 0.000 0.437 340 A N 0.176 122.880 122.820 -0.194 0.000 1.892 340 A HA -0.268 4.053 4.320 0.001 0.000 0.218 340 A C 1.970 179.385 177.584 -0.283 0.000 1.188 340 A CA 2.225 53.912 52.037 -0.584 0.000 0.631 340 A CB -0.517 17.793 19.000 -1.149 0.000 0.822 340 A HN 0.352 nan 8.150 nan 0.000 0.447 341 D N -0.354 119.982 120.400 -0.106 0.000 2.123 341 D HA 0.019 4.659 4.640 0.001 0.000 0.200 341 D C 2.274 178.685 176.300 0.184 0.000 0.976 341 D CA 1.411 55.441 54.000 0.052 0.000 0.831 341 D CB -0.401 40.475 40.800 0.125 0.000 0.974 341 D HN 0.419 nan 8.370 nan 0.000 0.469 342 A N 0.705 123.662 122.820 0.228 0.000 1.898 342 A HA -0.099 4.222 4.320 0.001 0.000 0.216 342 A C 2.389 180.192 177.584 0.365 0.000 1.181 342 A CA 0.813 53.102 52.037 0.419 0.000 0.620 342 A CB -0.729 18.433 19.000 0.270 0.000 0.819 342 A HN 0.185 nan 8.150 nan 0.000 0.442 343 L N -0.896 120.465 121.223 0.231 0.000 2.093 343 L HA -0.234 4.107 4.340 0.001 0.000 0.208 343 L C 2.725 179.803 176.870 0.347 0.000 1.085 343 L CA 1.139 56.119 54.840 0.234 0.000 0.755 343 L CB -0.622 41.523 42.059 0.142 0.000 0.904 343 L HN 0.493 nan 8.230 nan 0.000 0.435 344 C N -1.218 118.246 119.300 0.273 0.000 2.413 344 C HA -0.246 4.215 4.460 0.001 0.000 0.277 344 C C 2.725 177.912 174.990 0.329 0.000 1.228 344 C CA 0.624 59.782 59.018 0.234 0.000 1.731 344 C CB -0.820 27.013 27.740 0.156 0.000 2.042 344 C HN 0.531 nan 8.230 nan 0.000 0.468 345 Y N 2.156 122.575 120.300 0.199 0.000 2.256 345 Y HA -0.127 4.424 4.550 0.001 0.000 0.288 345 Y C 2.408 178.524 175.900 0.360 0.000 1.155 345 Y CA 1.121 59.347 58.100 0.210 0.000 1.203 345 Y CB -0.688 37.885 38.460 0.187 0.000 0.980 345 Y HN 0.269 nan 8.280 nan 0.000 0.530 346 A N -0.603 122.439 122.820 0.371 0.000 1.978 346 A HA -0.253 4.067 4.320 0.001 0.000 0.220 346 A C 1.731 179.433 177.584 0.196 0.000 1.170 346 A CA 2.049 54.257 52.037 0.286 0.000 0.636 346 A CB -1.076 18.014 19.000 0.150 0.000 0.810 346 A HN 0.684 nan 8.150 nan 0.000 0.448 347 H N -0.161 118.975 119.070 0.110 0.000 2.491 347 H HA -0.046 4.510 4.556 0.001 0.000 0.290 347 H C 2.444 177.771 175.328 -0.002 0.000 1.050 347 H CA 1.728 57.822 56.048 0.077 0.000 1.309 347 H CB -0.370 29.427 29.762 0.059 0.000 1.392 347 H HN 0.677 nan 8.280 nan 0.000 0.554 348 T N -1.906 112.619 114.554 -0.050 0.000 2.977 348 T HA -0.151 4.199 4.350 0.001 0.000 0.271 348 T C 1.305 175.755 174.700 -0.417 0.000 1.105 348 T CA 0.819 62.740 62.100 -0.298 0.000 1.116 348 T CB -0.513 68.030 68.868 -0.542 0.000 0.878 348 T HN 0.228 nan 8.240 nan 0.000 0.509 349 F N 1.925 121.810 119.950 -0.108 0.000 2.797 349 F HA 0.349 4.877 4.527 0.000 0.000 0.302 349 F C 0.713 176.492 175.800 -0.036 0.000 1.130 349 F CA -0.810 57.136 58.000 -0.090 0.000 1.387 349 F CB -1.110 37.820 39.000 -0.117 0.000 1.107 349 F HN 0.143 nan 8.300 nan 0.000 0.577 350 N N 0.205 118.974 118.700 0.115 0.000 2.686 350 N HA -0.171 4.569 4.740 0.001 0.000 0.261 350 N C -2.647 172.949 175.510 0.145 0.000 1.001 350 N CA -0.148 52.973 53.050 0.118 0.000 0.764 350 N CB -1.102 37.430 38.487 0.074 0.000 0.898 350 N HN 0.201 nan 8.380 nan 0.000 0.544 351 P HA 0.014 nan 4.420 nan 0.000 0.274 351 P C 0.024 177.453 177.300 0.215 0.000 1.246 351 P CA -0.171 62.993 63.100 0.106 0.000 0.795 351 P CB 1.061 32.736 31.700 -0.041 0.000 1.006 352 K N -0.284 120.208 120.400 0.154 0.000 2.137 352 K HA 0.151 4.472 4.320 0.001 0.000 0.202 352 K C 0.342 177.112 176.600 0.283 0.000 1.052 352 K CA 0.875 57.293 56.287 0.217 0.000 0.961 352 K CB 0.115 32.733 32.500 0.196 0.000 0.741 352 K HN 0.261 nan 8.250 nan 0.000 0.452 353 V N 1.303 121.260 119.914 0.071 0.000 3.012 353 V HA 0.359 4.480 4.120 0.001 0.000 0.307 353 V C -1.181 174.764 176.094 -0.247 0.000 1.166 353 V CA -0.863 61.434 62.300 -0.004 0.000 0.974 353 V CB 2.515 34.400 31.823 0.103 0.000 1.040 353 V HN 0.035 nan 8.190 nan 0.000 0.428 354 I N 4.311 124.721 120.570 -0.267 0.000 2.447 354 I HA 0.568 4.738 4.170 0.001 0.000 0.287 354 I C -1.065 174.984 176.117 -0.113 0.000 1.023 354 I CA -0.347 60.836 61.300 -0.194 0.000 1.083 354 I CB 1.842 39.762 38.000 -0.134 0.000 1.245 354 I HN 0.387 nan 8.210 nan 0.000 0.434 355 I N 6.892 127.259 120.570 -0.338 0.000 2.466 355 I HA 0.325 4.495 4.170 0.001 0.000 0.289 355 I C -0.665 175.317 176.117 -0.225 0.000 1.026 355 I CA -0.575 60.472 61.300 -0.420 0.000 1.078 355 I CB 1.893 39.384 38.000 -0.848 0.000 1.249 355 I HN 0.630 nan 8.210 nan 0.000 0.429 356 N N 5.737 124.421 118.700 -0.027 0.000 2.335 356 N HA 0.811 5.551 4.740 0.001 0.000 0.304 356 N C -1.451 174.122 175.510 0.104 0.000 1.135 356 N CA -0.567 52.549 53.050 0.110 0.000 0.817 356 N CB 2.963 41.607 38.487 0.262 0.000 1.294 356 N HN 0.552 nan 8.380 nan 0.000 0.497 357 A N 0.366 123.255 122.820 0.115 0.000 2.414 357 A HA 0.883 5.204 4.320 0.001 0.000 0.306 357 A C -1.191 176.452 177.584 0.098 0.000 1.054 357 A CA -0.558 51.532 52.037 0.089 0.000 0.724 357 A CB 1.552 20.594 19.000 0.070 0.000 1.267 357 A HN 1.096 nan 8.150 nan 0.000 0.418 358 A N 0.749 123.628 122.820 0.098 0.000 2.594 358 A HA 0.675 4.995 4.320 0.001 0.000 0.296 358 A C -0.192 177.427 177.584 0.059 0.000 1.061 358 A CA 0.110 52.195 52.037 0.080 0.000 0.689 358 A CB 0.620 19.692 19.000 0.120 0.000 1.280 358 A HN 1.674 nan 8.150 nan 0.000 0.406 359 T N 1.249 115.814 114.554 0.017 0.000 4.098 359 T HA 0.313 4.664 4.350 0.001 0.000 0.291 359 T C 0.893 175.596 174.700 0.005 0.000 1.440 359 T CA -0.102 62.000 62.100 0.003 0.000 1.164 359 T CB -0.367 68.487 68.868 -0.023 0.000 1.313 359 T HN 0.557 nan 8.240 nan 0.000 0.951 360 L N 2.425 123.675 121.223 0.045 0.000 2.044 360 L HA 0.208 4.549 4.340 0.001 0.000 0.205 360 L C 1.226 178.101 176.870 0.008 0.000 1.075 360 L CA 1.417 56.279 54.840 0.038 0.000 0.747 360 L CB -0.166 41.962 42.059 0.116 0.000 0.903 360 L HN 0.820 nan 8.230 nan 0.000 0.435 361 T N -5.352 109.216 114.554 0.023 0.000 2.909 361 T HA 0.514 4.865 4.350 0.001 0.000 0.299 361 T C 0.817 175.520 174.700 0.005 0.000 1.073 361 T CA -0.340 61.764 62.100 0.006 0.000 0.999 361 T CB 1.337 70.215 68.868 0.017 0.000 1.098 361 T HN 0.074 nan 8.240 nan 0.000 0.477 362 G N 0.554 109.350 108.800 -0.006 0.000 2.443 362 G HA2 0.126 4.086 3.960 0.001 0.000 0.219 362 G HA3 0.126 4.086 3.960 0.001 0.000 0.219 362 G C 1.578 176.480 174.900 0.002 0.000 1.131 362 G CA 0.635 45.731 45.100 -0.006 0.000 0.775 362 G HN 1.150 nan 8.290 nan 0.000 0.547 363 A N 0.439 123.264 122.820 0.009 0.000 1.972 363 A HA -0.032 4.288 4.320 0.001 0.000 0.219 363 A C 2.253 179.849 177.584 0.019 0.000 1.169 363 A CA 2.087 54.133 52.037 0.015 0.000 0.635 363 A CB -0.309 18.703 19.000 0.021 0.000 0.810 363 A HN 0.387 nan 8.150 nan 0.000 0.446 364 M N 0.071 119.689 119.600 0.030 0.000 2.159 364 M HA -0.116 4.365 4.480 0.001 0.000 0.263 364 M C 1.509 177.811 176.300 0.003 0.000 1.063 364 M CA 2.244 57.563 55.300 0.033 0.000 1.110 364 M CB -0.496 32.137 32.600 0.054 0.000 1.374 364 M HN 0.458 nan 8.290 nan 0.000 0.411 365 D N -0.417 119.983 120.400 -0.001 0.000 2.117 365 D HA -0.124 4.517 4.640 0.001 0.000 0.198 365 D C 1.821 178.109 176.300 -0.020 0.000 0.982 365 D CA 1.491 55.484 54.000 -0.012 0.000 0.828 365 D CB -0.130 40.664 40.800 -0.010 0.000 0.967 365 D HN 0.511 nan 8.370 nan 0.000 0.464 366 I N 0.245 120.807 120.570 -0.014 0.000 2.394 366 I HA -0.200 3.971 4.170 0.001 0.000 0.251 366 I C 2.384 178.484 176.117 -0.029 0.000 1.136 366 I CA 0.879 62.169 61.300 -0.017 0.000 1.425 366 I CB -0.268 37.728 38.000 -0.007 0.000 1.079 366 I HN 0.065 nan 8.210 nan 0.000 0.425 367 A N 0.756 123.559 122.820 -0.028 0.000 1.840 367 A HA -0.035 4.286 4.320 0.001 0.000 0.214 367 A C 2.059 179.592 177.584 -0.086 0.000 1.198 367 A CA 1.396 53.405 52.037 -0.046 0.000 0.608 367 A CB -0.392 18.590 19.000 -0.030 0.000 0.839 367 A HN 0.424 nan 8.150 nan 0.000 0.443 368 L N -2.305 118.868 121.223 -0.084 0.000 2.920 368 L HA 0.345 4.686 4.340 0.001 0.000 0.257 368 L C 1.440 178.254 176.870 -0.093 0.000 1.150 368 L CA 0.111 54.877 54.840 -0.124 0.000 0.959 368 L CB -0.091 41.886 42.059 -0.138 0.000 1.321 368 L HN 0.654 nan 8.230 nan 0.000 0.555 369 G N 1.800 110.565 108.800 -0.059 0.000 2.596 369 G HA2 -0.403 3.557 3.960 0.001 0.000 0.295 369 G HA3 -0.403 3.557 3.960 0.001 0.000 0.295 369 G C 0.712 175.591 174.900 -0.035 0.000 1.240 369 G CA 0.547 45.621 45.100 -0.044 0.000 0.985 369 G HN 0.423 nan 8.290 nan 0.000 0.555 370 S N 0.432 116.114 115.700 -0.031 0.000 2.634 370 S HA 0.413 4.883 4.470 0.001 0.000 0.221 370 S C 2.091 176.682 174.600 -0.015 0.000 0.952 370 S CA 0.971 59.161 58.200 -0.017 0.000 0.930 370 S CB 0.573 63.766 63.200 -0.013 0.000 0.780 370 S HN 1.796 nan 8.310 nan 0.000 0.498 371 G N 1.130 109.905 108.800 -0.042 0.000 2.408 371 G HA2 0.437 4.397 3.960 0.001 0.000 0.217 371 G HA3 0.437 4.397 3.960 0.001 0.000 0.217 371 G C 0.392 175.282 174.900 -0.015 0.000 1.150 371 G CA 0.547 45.614 45.100 -0.055 0.000 0.776 371 G HN 1.037 nan 8.290 nan 0.000 0.542 372 A N -1.983 120.838 122.820 0.003 0.000 2.608 372 A HA 0.615 4.936 4.320 0.001 0.000 0.292 372 A C -0.543 177.083 177.584 0.069 0.000 1.066 372 A CA -0.467 51.615 52.037 0.076 0.000 0.676 372 A CB 0.454 19.551 19.000 0.161 0.000 1.277 372 A HN 0.044 nan 8.150 nan 0.000 0.413 373 T N 1.392 115.998 114.554 0.087 0.000 2.884 373 T HA 0.488 4.838 4.350 0.001 0.000 0.298 373 T C 0.777 175.505 174.700 0.046 0.000 0.998 373 T CA 0.866 62.995 62.100 0.048 0.000 1.124 373 T CB 0.900 69.791 68.868 0.039 0.000 0.931 373 T HN 1.179 nan 8.240 nan 0.000 0.531 374 G N 1.848 110.635 108.800 -0.022 0.000 2.355 374 G HA2 0.484 4.445 3.960 0.001 0.000 0.276 374 G HA3 0.484 4.445 3.960 0.001 0.000 0.276 374 G C -0.630 174.140 174.900 -0.216 0.000 1.198 374 G CA -0.386 44.642 45.100 -0.120 0.000 0.876 374 G HN 0.643 nan 8.290 nan 0.000 0.478 375 V N 3.090 122.828 119.914 -0.293 0.000 2.409 375 V HA 0.423 4.544 4.120 0.001 0.000 0.291 375 V C -0.827 174.988 176.094 -0.466 0.000 1.020 375 V CA -0.615 61.531 62.300 -0.257 0.000 0.848 375 V CB 0.979 32.825 31.823 0.038 0.000 0.990 375 V HN 0.580 nan 8.190 nan 0.000 0.430 376 F N 2.880 122.661 119.950 -0.281 0.000 2.411 376 F HA 0.700 5.228 4.527 0.001 0.000 0.352 376 F C 0.446 176.044 175.800 -0.336 0.000 1.123 376 F CA -0.238 57.612 58.000 -0.250 0.000 1.044 376 F CB 2.095 41.020 39.000 -0.125 0.000 1.135 376 F HN 0.448 nan 8.300 nan 0.000 0.461 377 T N 1.762 116.278 114.554 -0.063 0.000 2.932 377 T HA 0.217 4.567 4.350 0.001 0.000 0.318 377 T C 0.051 174.818 174.700 0.112 0.000 1.265 377 T CA -0.856 61.214 62.100 -0.050 0.000 1.036 377 T CB 0.872 69.726 68.868 -0.022 0.000 1.209 377 T HN 0.604 nan 8.240 nan 0.000 0.484 378 N N 1.697 120.533 118.700 0.226 0.000 2.322 378 N HA 0.160 4.900 4.740 0.001 0.000 0.194 378 N C -0.060 175.586 175.510 0.227 0.000 1.126 378 N CA -0.283 52.920 53.050 0.257 0.000 0.845 378 N CB 0.555 39.239 38.487 0.329 0.000 0.976 378 N HN 0.288 nan 8.380 nan 0.000 0.475 379 S N -0.837 114.999 115.700 0.228 0.000 2.756 379 S HA 0.380 4.851 4.470 0.001 0.000 0.303 379 S C 0.303 175.073 174.600 0.283 0.000 1.135 379 S CA -0.640 57.723 58.200 0.270 0.000 1.066 379 S CB 0.909 64.318 63.200 0.348 0.000 1.008 379 S HN 0.123 nan 8.310 nan 0.000 0.482 380 S N 3.528 119.386 115.700 0.262 0.000 2.423 380 S HA -0.053 4.418 4.470 0.001 0.000 0.231 380 S C 1.225 176.011 174.600 0.309 0.000 1.014 380 S CA 0.991 59.354 58.200 0.272 0.000 0.965 380 S CB -0.328 62.991 63.200 0.199 0.000 0.785 380 S HN 0.931 nan 8.310 nan 0.000 0.495 381 W N 2.023 123.415 121.300 0.152 0.000 2.355 381 W HA -0.106 4.555 4.660 0.001 0.000 0.309 381 W C 1.767 178.379 176.519 0.155 0.000 1.206 381 W CA 0.827 58.254 57.345 0.137 0.000 1.284 381 W CB -0.497 29.040 29.460 0.130 0.000 1.145 381 W HN 0.239 nan 8.180 nan 0.000 0.502 382 L N 1.116 122.532 121.223 0.322 0.000 2.056 382 L HA -0.147 4.193 4.340 0.001 0.000 0.207 382 L C 2.309 179.141 176.870 -0.063 0.000 1.078 382 L CA 2.401 57.286 54.840 0.074 0.000 0.749 382 L CB -1.677 40.559 42.059 0.296 0.000 0.901 382 L HN 0.478 nan 8.230 nan 0.000 0.433 383 W N 0.582 121.836 121.300 -0.076 0.000 2.333 383 W HA -0.290 4.371 4.660 0.001 0.000 0.316 383 W C 2.076 178.541 176.519 -0.091 0.000 1.215 383 W CA 1.851 59.125 57.345 -0.118 0.000 1.278 383 W CB -0.448 28.932 29.460 -0.134 0.000 1.154 383 W HN 0.310 nan 8.180 nan 0.000 0.486 384 N N 0.691 119.111 118.700 -0.467 0.000 2.166 384 N HA -0.181 4.559 4.740 0.001 0.000 0.186 384 N C 1.634 176.902 175.510 -0.403 0.000 1.019 384 N CA 1.529 54.280 53.050 -0.498 0.000 0.856 384 N CB -0.349 38.016 38.487 -0.203 0.000 0.993 384 N HN 0.151 nan 8.380 nan 0.000 0.426 385 K N 1.331 121.483 120.400 -0.413 0.000 2.057 385 K HA -0.006 4.315 4.320 0.001 0.000 0.206 385 K C 2.264 178.797 176.600 -0.112 0.000 1.050 385 K CA 0.489 56.623 56.287 -0.256 0.000 0.935 385 K CB -0.646 31.704 32.500 -0.250 0.000 0.715 385 K HN 0.232 nan 8.250 nan 0.000 0.439 386 L N -0.153 120.932 121.223 -0.230 0.000 2.046 386 L HA -0.160 4.180 4.340 0.001 0.000 0.208 386 L C 2.436 179.134 176.870 -0.288 0.000 1.077 386 L CA 0.979 55.674 54.840 -0.240 0.000 0.747 386 L CB -0.461 41.413 42.059 -0.310 0.000 0.896 386 L HN 0.004 nan 8.230 nan 0.000 0.432 387 F N 1.209 120.701 119.950 -0.763 0.000 2.075 387 F HA -0.223 4.304 4.527 0.000 0.000 0.297 387 F C 2.410 177.999 175.800 -0.352 0.000 1.113 387 F CA 1.764 59.307 58.000 -0.762 0.000 1.218 387 F CB -0.269 37.973 39.000 -1.263 0.000 0.984 387 F HN 0.053 nan 8.300 nan 0.000 0.472 388 E N 0.174 120.147 120.200 -0.378 0.000 2.085 388 E HA -0.212 4.139 4.350 0.001 0.000 0.194 388 E C 2.362 178.835 176.600 -0.212 0.000 0.994 388 E CA 1.119 57.326 56.400 -0.323 0.000 0.801 388 E CB -0.470 29.129 29.700 -0.169 0.000 0.743 388 E HN 0.501 nan 8.360 nan 0.000 0.453 389 A N 1.371 124.124 122.820 -0.112 0.000 1.902 389 A HA -0.214 4.107 4.320 0.001 0.000 0.217 389 A C 2.325 179.897 177.584 -0.020 0.000 1.181 389 A CA 1.906 53.944 52.037 0.001 0.000 0.623 389 A CB -0.685 18.387 19.000 0.119 0.000 0.818 389 A HN 0.339 nan 8.150 nan 0.000 0.443 390 S N 0.025 115.674 115.700 -0.084 0.000 2.419 390 S HA -0.107 4.363 4.470 0.001 0.000 0.233 390 S C 1.845 176.423 174.600 -0.036 0.000 1.016 390 S CA 1.319 59.496 58.200 -0.038 0.000 0.974 390 S CB -0.752 62.428 63.200 -0.033 0.000 0.786 390 S HN 0.492 nan 8.310 nan 0.000 0.492 391 I N 1.498 121.967 120.570 -0.168 0.000 2.226 391 I HA -0.142 4.028 4.170 0.001 0.000 0.245 391 I C 2.920 179.061 176.117 0.040 0.000 1.100 391 I CA 1.821 63.068 61.300 -0.089 0.000 1.374 391 I CB -0.413 37.448 38.000 -0.231 0.000 1.057 391 I HN 0.382 nan 8.210 nan 0.000 0.413 392 E N 1.106 121.304 120.200 -0.003 0.000 2.047 392 E HA -0.207 4.143 4.350 0.001 0.000 0.191 392 E C 2.136 178.723 176.600 -0.022 0.000 0.987 392 E CA 2.253 58.647 56.400 -0.010 0.000 0.799 392 E CB -0.188 29.502 29.700 -0.017 0.000 0.752 392 E HN 0.506 nan 8.360 nan 0.000 0.449 393 T N -3.674 110.894 114.554 0.023 0.000 3.023 393 T HA 0.164 4.514 4.350 0.001 0.000 0.266 393 T C 1.736 176.478 174.700 0.071 0.000 1.093 393 T CA 1.021 63.143 62.100 0.036 0.000 1.129 393 T CB -0.139 68.789 68.868 0.100 0.000 0.899 393 T HN 0.406 nan 8.240 nan 0.000 0.491 394 G N 1.141 110.027 108.800 0.143 0.000 2.225 394 G HA2 -0.240 3.721 3.960 0.001 0.000 0.254 394 G HA3 -0.240 3.721 3.960 0.001 0.000 0.254 394 G C 0.004 175.115 174.900 0.352 0.000 0.988 394 G CA 0.182 45.443 45.100 0.268 0.000 0.625 394 G HN 0.647 nan 8.290 nan 0.000 0.527 395 D N 1.655 122.194 120.400 0.232 0.000 2.517 395 D HA 0.346 4.986 4.640 0.001 0.000 0.220 395 D C 1.160 177.563 176.300 0.172 0.000 1.158 395 D CA -0.341 53.778 54.000 0.198 0.000 0.992 395 D CB -0.092 40.799 40.800 0.150 0.000 1.058 395 D HN 0.468 nan 8.370 nan 0.000 0.516 396 R N 0.625 121.247 120.500 0.204 0.000 2.679 396 R HA 0.276 4.616 4.340 0.001 0.000 0.268 396 R C 0.289 176.702 176.300 0.188 0.000 1.044 396 R CA -0.278 55.933 56.100 0.186 0.000 1.105 396 R CB 0.815 31.223 30.300 0.180 0.000 0.989 396 R HN 0.181 nan 8.270 nan 0.000 0.447 397 V N -1.071 118.992 119.914 0.248 0.000 2.914 397 V HA 0.641 4.761 4.120 0.001 0.000 0.314 397 V C -0.953 175.462 176.094 0.534 0.000 1.084 397 V CA -1.035 61.446 62.300 0.302 0.000 0.963 397 V CB 2.494 34.451 31.823 0.223 0.000 1.025 397 V HN 0.816 nan 8.190 nan 0.000 0.432 398 W N 3.715 125.153 121.300 0.229 0.000 3.042 398 W HA 0.549 5.210 4.660 0.001 0.000 0.337 398 W C -0.472 175.897 176.519 -0.250 0.000 1.086 398 W CA -0.643 56.756 57.345 0.090 0.000 1.236 398 W CB 2.368 31.805 29.460 -0.038 0.000 1.381 398 W HN 0.860 nan 8.180 nan 0.000 0.472 399 R N 4.674 124.476 120.500 -1.164 0.000 2.543 399 R HA 0.302 4.643 4.340 0.001 0.000 0.277 399 R C -0.104 175.717 176.300 -0.797 0.000 1.074 399 R CA 0.330 55.684 56.100 -1.244 0.000 1.076 399 R CB 0.684 29.814 30.300 -1.950 0.000 0.993 399 R HN 0.332 nan 8.270 nan 0.000 0.459 400 M N 4.978 124.065 119.600 -0.855 0.000 2.535 400 M HA 0.393 4.873 4.480 0.001 0.000 0.314 400 M C -2.311 173.542 176.300 -0.744 0.000 1.153 400 M CA -2.821 51.941 55.300 -0.896 0.000 0.924 400 M CB 1.785 33.457 32.600 -1.547 0.000 1.710 400 M HN 0.499 nan 8.290 nan 0.000 0.451 401 P HA 0.193 nan 4.420 nan 0.000 0.276 401 P C -0.874 176.341 177.300 -0.142 0.000 1.235 401 P CA -0.375 62.391 63.100 -0.557 0.000 0.772 401 P CB 0.847 31.934 31.700 -1.021 0.000 0.871 402 L N 5.537 126.717 121.223 -0.071 0.000 2.426 402 L HA 0.425 4.765 4.340 0.001 0.000 0.255 402 L C -1.134 175.986 176.870 0.417 0.000 1.080 402 L CA -0.440 54.552 54.840 0.254 0.000 0.960 402 L CB -0.752 41.485 42.059 0.298 0.000 1.326 402 L HN 0.115 nan 8.230 nan 0.000 0.441 403 F N 0.936 121.120 119.950 0.389 0.000 2.492 403 F HA 0.392 4.919 4.527 0.001 0.000 0.327 403 F C 1.531 177.451 175.800 0.200 0.000 1.079 403 F CA -0.998 57.141 58.000 0.231 0.000 0.967 403 F CB 1.295 40.352 39.000 0.096 0.000 1.169 403 F HN 0.355 nan 8.300 nan 0.000 0.472 404 E N 1.046 121.421 120.200 0.293 0.000 2.204 404 E HA -0.266 4.085 4.350 0.001 0.000 0.195 404 E C 1.870 178.558 176.600 0.147 0.000 0.990 404 E CA 1.388 57.891 56.400 0.173 0.000 0.821 404 E CB -0.366 29.386 29.700 0.086 0.000 0.750 404 E HN 0.880 nan 8.360 nan 0.000 0.477 405 H N -0.952 118.106 119.070 -0.020 0.000 2.321 405 H HA -0.220 4.336 4.556 0.001 0.000 0.295 405 H C 1.530 176.777 175.328 -0.135 0.000 1.102 405 H CA 2.563 58.516 56.048 -0.157 0.000 1.266 405 H CB -0.167 29.390 29.762 -0.343 0.000 1.363 405 H HN 0.195 nan 8.280 nan 0.000 0.492 406 Y N -0.465 120.076 120.300 0.402 0.000 2.337 406 Y HA -0.060 4.491 4.550 0.001 0.000 0.293 406 Y C 2.898 178.889 175.900 0.153 0.000 1.123 406 Y CA 1.216 59.483 58.100 0.278 0.000 1.201 406 Y CB -0.649 37.960 38.460 0.248 0.000 1.011 406 Y HN 0.220 nan 8.280 nan 0.000 0.545 407 T N 0.148 114.857 114.554 0.258 0.000 2.746 407 T HA -0.218 4.132 4.350 0.001 0.000 0.267 407 T C 2.006 176.750 174.700 0.074 0.000 1.039 407 T CA 1.507 63.693 62.100 0.142 0.000 1.142 407 T CB -0.247 68.681 68.868 0.101 0.000 0.866 407 T HN 0.261 nan 8.240 nan 0.000 0.444 408 R N 0.950 121.478 120.500 0.048 0.000 2.139 408 R HA -0.133 4.208 4.340 0.001 0.000 0.243 408 R C 2.233 178.523 176.300 -0.016 0.000 1.145 408 R CA 1.479 57.576 56.100 -0.004 0.000 0.976 408 R CB -0.141 30.136 30.300 -0.039 0.000 0.866 408 R HN 0.520 nan 8.270 nan 0.000 0.449 409 Q N -0.401 119.405 119.800 0.010 0.000 2.435 409 Q HA -0.045 4.295 4.340 0.001 0.000 0.207 409 Q C 1.815 177.809 176.000 -0.011 0.000 0.956 409 Q CA 1.125 56.908 55.803 -0.032 0.000 0.917 409 Q CB 0.612 29.364 28.738 0.023 0.000 0.997 409 Q HN 0.384 nan 8.270 nan 0.000 0.497 410 V N -2.611 117.331 119.914 0.047 0.000 3.523 410 V HA 0.075 4.195 4.120 0.001 0.000 0.255 410 V C 1.740 177.860 176.094 0.044 0.000 1.226 410 V CA 0.305 62.654 62.300 0.081 0.000 1.092 410 V CB -0.421 31.508 31.823 0.176 0.000 0.817 410 V HN 0.363 nan 8.190 nan 0.000 0.458 411 I N -1.429 119.143 120.570 0.003 0.000 3.578 411 I HA 0.260 4.431 4.170 0.001 0.000 0.295 411 I C 0.818 176.920 176.117 -0.026 0.000 1.280 411 I CA 0.467 61.752 61.300 -0.025 0.000 1.347 411 I CB -0.212 37.758 38.000 -0.050 0.000 1.051 411 I HN 0.138 nan 8.210 nan 0.000 0.460 412 D N 2.709 123.090 120.400 -0.031 0.000 2.383 412 D HA 0.145 4.785 4.640 0.001 0.000 0.245 412 D C -1.113 175.169 176.300 -0.030 0.000 1.263 412 D CA 0.037 54.012 54.000 -0.042 0.000 0.936 412 D CB 0.723 41.479 40.800 -0.072 0.000 1.053 412 D HN 0.301 nan 8.370 nan 0.000 0.507 413 C N 4.610 123.899 119.300 -0.018 0.000 2.482 413 C HA 0.264 4.724 4.460 0.001 0.000 0.317 413 C C 1.327 176.313 174.990 -0.006 0.000 1.197 413 C CA -0.632 58.383 59.018 -0.005 0.000 1.432 413 C CB 1.311 29.057 27.740 0.010 0.000 2.062 413 C HN 0.723 nan 8.230 nan 0.000 0.471 414 Q N 2.735 122.533 119.800 -0.003 0.000 2.050 414 Q HA -0.010 4.331 4.340 0.001 0.000 0.202 414 Q C 1.204 177.204 176.000 0.000 0.000 0.980 414 Q CA 2.321 58.123 55.803 -0.003 0.000 0.840 414 Q CB -0.015 28.722 28.738 -0.001 0.000 0.898 414 Q HN 0.892 nan 8.270 nan 0.000 0.424 415 L N -1.642 119.585 121.223 0.006 0.000 2.575 415 L HA 0.517 4.857 4.340 0.001 0.000 0.228 415 L C 0.670 177.546 176.870 0.009 0.000 1.075 415 L CA 0.070 54.915 54.840 0.008 0.000 0.867 415 L CB 0.379 42.445 42.059 0.012 0.000 1.097 415 L HN 0.138 nan 8.230 nan 0.000 0.485 416 A N -0.744 122.085 122.820 0.015 0.000 2.486 416 A HA 0.404 4.725 4.320 0.001 0.000 0.277 416 A C -0.149 177.438 177.584 0.004 0.000 1.282 416 A CA -0.403 51.644 52.037 0.016 0.000 0.784 416 A CB 0.613 19.636 19.000 0.039 0.000 1.350 416 A HN -0.035 nan 8.150 nan 0.000 0.454 417 D N -0.925 119.471 120.400 -0.005 0.000 2.144 417 D HA 0.063 4.704 4.640 0.001 0.000 0.200 417 D C 0.333 176.605 176.300 -0.047 0.000 0.978 417 D CA 1.942 55.917 54.000 -0.041 0.000 0.833 417 D CB 0.238 40.995 40.800 -0.072 0.000 0.961 417 D HN 0.261 nan 8.370 nan 0.000 0.470 418 V N 0.168 120.080 119.914 -0.003 0.000 2.932 418 V HA 0.275 4.395 4.120 0.001 0.000 0.307 418 V C -1.418 174.771 176.094 0.160 0.000 1.147 418 V CA -0.963 61.354 62.300 0.028 0.000 0.951 418 V CB 2.584 34.339 31.823 -0.113 0.000 1.031 418 V HN -0.060 nan 8.190 nan 0.000 0.426 419 N N 3.948 122.758 118.700 0.183 0.000 2.456 419 N HA 0.216 4.957 4.740 0.001 0.000 0.288 419 N C 0.595 176.271 175.510 0.276 0.000 1.059 419 N CA -0.240 52.918 53.050 0.180 0.000 0.946 419 N CB 1.560 40.098 38.487 0.085 0.000 1.150 419 N HN 0.899 nan 8.380 nan 0.000 0.479 420 N N 3.739 122.529 118.700 0.150 0.000 2.521 420 N HA -0.045 4.695 4.740 0.001 0.000 0.188 420 N C 0.228 175.655 175.510 -0.138 0.000 1.146 420 N CA 0.421 53.409 53.050 -0.103 0.000 0.893 420 N CB -0.170 38.192 38.487 -0.208 0.000 0.975 420 N HN 0.610 nan 8.380 nan 0.000 0.451 421 I N -4.820 115.737 120.570 -0.021 0.000 2.722 421 I HA 0.670 4.840 4.170 0.001 0.000 0.295 421 I C 0.214 176.338 176.117 0.012 0.000 1.161 421 I CA -1.520 59.766 61.300 -0.023 0.000 1.032 421 I CB 1.915 39.899 38.000 -0.027 0.000 1.244 421 I HN -0.164 nan 8.210 nan 0.000 0.421 422 G N 2.783 111.593 108.800 0.018 0.000 2.636 422 G HA2 0.133 4.093 3.960 0.001 0.000 0.246 422 G HA3 0.133 4.093 3.960 0.001 0.000 0.246 422 G C 0.359 175.222 174.900 -0.061 0.000 1.216 422 G CA -0.467 44.638 45.100 0.008 0.000 0.854 422 G HN 0.972 nan 8.290 nan 0.000 0.572 423 K N -0.543 119.740 120.400 -0.196 0.000 2.147 423 K HA -0.051 4.269 4.320 0.001 0.000 0.205 423 K C -0.224 176.152 176.600 -0.372 0.000 1.049 423 K CA 0.922 56.979 56.287 -0.383 0.000 0.936 423 K CB -0.106 31.978 32.500 -0.694 0.000 0.722 423 K HN 0.494 nan 8.250 nan 0.000 0.446 424 Y N -0.545 119.788 120.300 0.055 0.000 2.630 424 Y HA 0.290 4.840 4.550 0.001 0.000 0.337 424 Y C 0.982 176.917 175.900 0.059 0.000 1.051 424 Y CA -1.413 56.720 58.100 0.055 0.000 1.121 424 Y CB 0.838 39.338 38.460 0.067 0.000 1.299 424 Y HN -0.164 nan 8.280 nan 0.000 0.498 425 R N -0.695 119.943 120.500 0.229 0.000 2.280 425 R HA 0.212 4.553 4.340 0.001 0.000 0.195 425 R C -0.344 176.034 176.300 0.131 0.000 0.935 425 R CA 0.235 56.417 56.100 0.137 0.000 1.033 425 R CB -0.385 29.973 30.300 0.096 0.000 0.964 425 R HN 0.442 nan 8.270 nan 0.000 0.489 426 S N 1.192 116.994 115.700 0.170 0.000 2.585 426 S HA 0.414 4.884 4.470 0.001 0.000 0.273 426 S C 0.597 175.301 174.600 0.173 0.000 1.339 426 S CA 0.199 58.491 58.200 0.153 0.000 1.028 426 S CB 1.241 64.538 63.200 0.162 0.000 0.906 426 S HN 0.508 nan 8.310 nan 0.000 0.528 427 A N 0.810 123.708 122.820 0.129 0.000 2.745 427 A HA -0.162 4.159 4.320 0.001 0.000 0.296 427 A C 1.601 179.197 177.584 0.019 0.000 1.500 427 A CA 0.920 53.002 52.037 0.076 0.000 0.766 427 A CB -2.126 16.964 19.000 0.149 0.000 1.030 427 A HN 1.338 nan 8.150 nan 0.000 0.489 428 G N -0.622 108.199 108.800 0.035 0.000 2.469 428 G HA2 0.005 3.965 3.960 0.001 0.000 0.220 428 G HA3 0.005 3.965 3.960 0.001 0.000 0.220 428 G C 1.696 176.585 174.900 -0.019 0.000 1.136 428 G CA 2.013 47.122 45.100 0.015 0.000 0.759 428 G HN 1.928 nan 8.290 nan 0.000 0.562 429 A N -0.344 122.476 122.820 -0.001 0.000 1.929 429 A HA 0.007 4.328 4.320 0.001 0.000 0.216 429 A C 2.561 180.055 177.584 -0.150 0.000 1.176 429 A CA 1.690 53.743 52.037 0.027 0.000 0.628 429 A CB -0.739 18.373 19.000 0.186 0.000 0.816 429 A HN 0.438 nan 8.150 nan 0.000 0.444 430 C N -0.417 118.767 119.300 -0.192 0.000 2.466 430 C HA -0.053 4.408 4.460 0.001 0.000 0.278 430 C C 3.173 177.936 174.990 -0.378 0.000 1.288 430 C CA 1.479 60.203 59.018 -0.491 0.000 1.722 430 C CB -1.373 25.689 27.740 -1.130 0.000 2.017 430 C HN 0.788 nan 8.230 nan 0.000 0.488 431 T N 0.119 114.576 114.554 -0.162 0.000 2.904 431 T HA 0.001 4.351 4.350 0.001 0.000 0.267 431 T C 1.926 176.636 174.700 0.016 0.000 1.059 431 T CA 1.417 63.538 62.100 0.035 0.000 1.137 431 T CB -0.395 68.540 68.868 0.111 0.000 0.879 431 T HN 0.483 nan 8.240 nan 0.000 0.467 432 A N 1.955 124.733 122.820 -0.069 0.000 1.898 432 A HA 0.361 4.681 4.320 0.001 0.000 0.216 432 A C 2.814 180.342 177.584 -0.093 0.000 1.181 432 A CA 1.732 53.726 52.037 -0.072 0.000 0.620 432 A CB -1.378 17.562 19.000 -0.099 0.000 0.819 432 A HN 0.712 nan 8.150 nan 0.000 0.442 433 A N -0.135 122.506 122.820 -0.298 0.000 1.933 433 A HA 0.173 4.493 4.320 0.001 0.000 0.218 433 A C 2.481 180.063 177.584 -0.003 0.000 1.175 433 A CA 2.000 53.828 52.037 -0.349 0.000 0.628 433 A CB -0.955 17.390 19.000 -1.092 0.000 0.814 433 A HN 1.039 nan 8.150 nan 0.000 0.444 434 A N -1.124 121.712 122.820 0.027 0.000 1.902 434 A HA -0.054 4.267 4.320 0.001 0.000 0.217 434 A C 2.028 179.700 177.584 0.145 0.000 1.181 434 A CA 1.586 53.708 52.037 0.142 0.000 0.623 434 A CB -0.719 18.399 19.000 0.197 0.000 0.818 434 A HN 0.677 nan 8.150 nan 0.000 0.443 435 F N 0.787 120.758 119.950 0.035 0.000 2.095 435 F HA -0.177 4.350 4.527 0.001 0.000 0.298 435 F C 1.943 177.837 175.800 0.156 0.000 1.104 435 F CA 1.859 59.909 58.000 0.083 0.000 1.232 435 F CB -0.308 38.733 39.000 0.069 0.000 0.987 435 F HN 0.147 nan 8.300 nan 0.000 0.475 436 L N 0.294 121.740 121.223 0.372 0.000 2.042 436 L HA -0.274 4.066 4.340 0.001 0.000 0.210 436 L C 2.531 179.386 176.870 -0.025 0.000 1.076 436 L CA 1.945 56.934 54.840 0.248 0.000 0.749 436 L CB -0.880 41.293 42.059 0.189 0.000 0.893 436 L HN 0.158 nan 8.230 nan 0.000 0.432 437 K N 0.119 120.467 120.400 -0.086 0.000 2.211 437 K HA -0.180 4.140 4.320 0.001 0.000 0.204 437 K C 1.752 178.185 176.600 -0.279 0.000 1.047 437 K CA 1.015 57.133 56.287 -0.283 0.000 0.935 437 K CB 0.138 32.653 32.500 0.025 0.000 0.728 437 K HN 0.191 nan 8.250 nan 0.000 0.452 438 E N -0.336 119.678 120.200 -0.311 0.000 2.472 438 E HA -0.126 4.225 4.350 0.001 0.000 0.200 438 E C 0.263 176.343 176.600 -0.867 0.000 1.046 438 E CA 0.760 56.813 56.400 -0.579 0.000 0.871 438 E CB 0.077 29.327 29.700 -0.749 0.000 0.806 438 E HN 0.358 nan 8.360 nan 0.000 0.533 439 F N -0.553 119.213 119.950 -0.306 0.000 2.698 439 F HA 0.182 4.709 4.527 0.001 0.000 0.304 439 F C 0.117 175.757 175.800 -0.268 0.000 1.108 439 F CA -0.267 57.579 58.000 -0.258 0.000 1.263 439 F CB 0.978 39.863 39.000 -0.191 0.000 1.013 439 F HN -0.330 nan 8.300 nan 0.000 0.532 440 V N 0.245 120.016 119.914 -0.238 0.000 2.638 440 V HA 0.305 4.426 4.120 0.001 0.000 0.306 440 V C 0.490 176.529 176.094 -0.090 0.000 1.052 440 V CA -0.415 61.776 62.300 -0.182 0.000 0.885 440 V CB 1.963 33.387 31.823 -0.665 0.000 0.999 440 V HN 0.283 nan 8.190 nan 0.000 0.424 441 T N -0.987 113.639 114.554 0.119 0.000 3.043 441 T HA 0.209 4.559 4.350 0.001 0.000 0.272 441 T C 0.352 175.165 174.700 0.188 0.000 0.990 441 T CA 0.011 62.158 62.100 0.078 0.000 0.897 441 T CB -0.338 68.518 68.868 -0.021 0.000 1.111 441 T HN 0.641 nan 8.240 nan 0.000 0.529 442 H N 3.542 122.740 119.070 0.214 0.000 2.732 442 H HA 0.274 4.830 4.556 0.001 0.000 0.351 442 H C -1.231 174.189 175.328 0.154 0.000 1.090 442 H CA -1.172 54.962 56.048 0.144 0.000 1.431 442 H CB 1.331 31.123 29.762 0.051 0.000 1.447 442 H HN -0.069 nan 8.280 nan 0.000 0.582 443 P HA -0.025 nan 4.420 nan 0.000 0.236 443 P C -0.661 176.780 177.300 0.235 0.000 1.177 443 P CA 0.964 64.098 63.100 0.055 0.000 0.773 443 P CB 0.490 32.150 31.700 -0.066 0.000 0.878 444 K N -0.228 120.463 120.400 0.484 0.000 2.753 444 K HA 0.208 4.528 4.320 0.001 0.000 0.185 444 K C -1.473 175.426 176.600 0.499 0.000 1.071 444 K CA -0.484 56.094 56.287 0.485 0.000 0.999 444 K CB 0.433 33.188 32.500 0.425 0.000 1.244 444 K HN -0.000 nan 8.250 nan 0.000 0.594 445 W N 1.880 123.314 121.300 0.224 0.000 2.632 445 W HA 0.638 5.298 4.660 0.000 0.000 0.328 445 W C -1.587 174.998 176.519 0.109 0.000 1.044 445 W CA -0.530 56.880 57.345 0.108 0.000 1.225 445 W CB 1.404 30.941 29.460 0.129 0.000 1.396 445 W HN 0.348 nan 8.180 nan 0.000 0.499 446 A N 4.324 126.746 122.820 -0.663 0.000 2.398 446 A HA 0.533 4.853 4.320 0.001 0.000 0.301 446 A C -2.138 174.949 177.584 -0.829 0.000 1.041 446 A CA -0.613 50.995 52.037 -0.713 0.000 0.711 446 A CB 1.074 19.864 19.000 -0.350 0.000 1.240 446 A HN 0.806 nan 8.150 nan 0.000 0.420 447 H N 2.174 120.748 119.070 -0.828 0.000 2.539 447 H HA 0.677 5.233 4.556 0.001 0.000 0.332 447 H C -1.867 173.397 175.328 -0.107 0.000 1.031 447 H CA -0.926 54.883 56.048 -0.399 0.000 1.206 447 H CB 0.922 30.478 29.762 -0.344 0.000 1.446 447 H HN 0.384 nan 8.280 nan 0.000 0.496 448 L N 5.299 126.309 121.223 -0.355 0.000 2.276 448 L HA 0.226 4.567 4.340 0.001 0.000 0.286 448 L C -0.184 176.487 176.870 -0.332 0.000 1.024 448 L CA -0.355 54.297 54.840 -0.314 0.000 0.826 448 L CB 1.198 43.179 42.059 -0.130 0.000 1.211 448 L HN 0.709 nan 8.230 nan 0.000 0.422 449 D N 4.061 124.259 120.400 -0.337 0.000 2.380 449 D HA 0.181 4.822 4.640 0.001 0.000 0.230 449 D C 0.847 177.130 176.300 -0.028 0.000 1.154 449 D CA -0.211 53.730 54.000 -0.097 0.000 0.859 449 D CB 0.862 41.691 40.800 0.048 0.000 1.045 449 D HN 0.547 nan 8.370 nan 0.000 0.495 450 I N 0.877 121.444 120.570 -0.004 0.000 3.891 450 I HA 0.312 4.483 4.170 0.001 0.000 0.331 450 I C 1.532 177.653 176.117 0.006 0.000 1.406 450 I CA -0.487 60.815 61.300 0.003 0.000 1.139 450 I CB 0.441 38.445 38.000 0.007 0.000 1.056 450 I HN 0.194 nan 8.210 nan 0.000 0.399 451 A N 2.063 124.890 122.820 0.010 0.000 1.940 451 A HA -0.090 4.231 4.320 0.001 0.000 0.219 451 A C 2.299 179.883 177.584 -0.001 0.000 1.176 451 A CA 1.988 54.028 52.037 0.003 0.000 0.631 451 A CB -1.324 17.680 19.000 0.007 0.000 0.814 451 A HN 0.567 nan 8.150 nan 0.000 0.446 452 G N -0.826 107.974 108.800 0.000 0.000 2.534 452 G HA2 0.087 4.047 3.960 0.001 0.000 0.217 452 G HA3 0.087 4.047 3.960 0.001 0.000 0.217 452 G C 1.122 176.020 174.900 -0.004 0.000 1.128 452 G CA 1.252 46.349 45.100 -0.006 0.000 0.784 452 G HN 1.119 nan 8.290 nan 0.000 0.542 453 V N -2.041 117.874 119.914 0.001 0.000 3.271 453 V HA 0.396 4.516 4.120 0.001 0.000 0.327 453 V C 1.862 177.958 176.094 0.004 0.000 1.389 453 V CA 0.342 62.645 62.300 0.005 0.000 1.156 453 V CB 0.168 32.000 31.823 0.015 0.000 1.103 453 V HN 0.277 nan 8.190 nan 0.000 0.453 454 M N 2.157 121.757 119.600 0.001 0.000 2.159 454 M HA 0.015 4.496 4.480 0.001 0.000 0.263 454 M C 1.121 177.423 176.300 0.003 0.000 1.063 454 M CA 2.226 57.526 55.300 0.000 0.000 1.110 454 M CB 0.136 32.733 32.600 -0.005 0.000 1.374 454 M HN 0.763 nan 8.290 nan 0.000 0.411 455 T N -1.594 112.962 114.554 0.003 0.000 2.907 455 T HA 0.404 4.755 4.350 0.001 0.000 0.290 455 T C -0.789 173.912 174.700 0.001 0.000 1.066 455 T CA -0.984 61.120 62.100 0.007 0.000 1.012 455 T CB 1.973 70.847 68.868 0.010 0.000 1.184 455 T HN 0.358 nan 8.240 nan 0.000 0.522 456 N N 0.011 118.713 118.700 0.003 0.000 2.249 456 N HA 0.352 5.093 4.740 0.001 0.000 0.296 456 N C -0.087 175.422 175.510 -0.002 0.000 1.051 456 N CA -0.627 52.417 53.050 -0.009 0.000 0.815 456 N CB 2.501 40.974 38.487 -0.024 0.000 1.487 456 N HN 0.654 nan 8.380 nan 0.000 0.475 457 K N 0.413 120.809 120.400 -0.008 0.000 2.253 457 K HA 0.078 4.398 4.320 0.001 0.000 0.225 457 K C 0.048 176.643 176.600 -0.009 0.000 1.037 457 K CA 0.556 56.842 56.287 -0.003 0.000 0.928 457 K CB 0.229 32.728 32.500 -0.002 0.000 1.057 457 K HN 0.619 nan 8.250 nan 0.000 0.462 458 D N -0.196 120.195 120.400 -0.015 0.000 2.615 458 D HA 0.015 4.656 4.640 0.001 0.000 0.274 458 D C 0.412 176.695 176.300 -0.029 0.000 1.512 458 D CA 0.084 54.071 54.000 -0.022 0.000 0.803 458 D CB 0.059 40.853 40.800 -0.010 0.000 1.182 458 D HN -0.003 nan 8.370 nan 0.000 0.473 459 E N 0.161 120.343 120.200 -0.029 0.000 2.051 459 E HA -0.011 4.340 4.350 0.001 0.000 0.192 459 E C 0.603 177.179 176.600 -0.040 0.000 0.991 459 E CA 0.981 57.370 56.400 -0.019 0.000 0.799 459 E CB 0.173 29.865 29.700 -0.013 0.000 0.748 459 E HN 0.120 nan 8.360 nan 0.000 0.449 460 V N 2.777 122.622 119.914 -0.115 0.000 2.334 460 V HA 0.072 4.193 4.120 0.001 0.000 0.267 460 V C -1.751 174.156 176.094 -0.312 0.000 1.040 460 V CA -1.171 60.960 62.300 -0.282 0.000 0.866 460 V CB 1.226 32.802 31.823 -0.412 0.000 1.019 460 V HN 0.059 nan 8.190 nan 0.000 0.468 461 P HA -0.174 nan 4.420 nan 0.000 0.216 461 P C 0.994 178.269 177.300 -0.042 0.000 1.150 461 P CA 1.493 64.546 63.100 -0.078 0.000 0.843 461 P CB -0.031 31.685 31.700 0.027 0.000 0.787 462 Y N -2.328 117.969 120.300 -0.006 0.000 2.462 462 Y HA 0.395 4.945 4.550 0.001 0.000 0.293 462 Y C 0.242 176.152 175.900 0.016 0.000 1.195 462 Y CA -0.618 57.479 58.100 -0.005 0.000 1.276 462 Y CB -1.008 37.435 38.460 -0.028 0.000 1.082 462 Y HN -0.188 nan 8.280 nan 0.000 0.514 463 L N 1.856 123.021 121.223 -0.097 0.000 2.356 463 L HA 0.512 4.852 4.340 0.001 0.000 0.277 463 L C 0.085 176.960 176.870 0.008 0.000 0.996 463 L CA -0.952 53.879 54.840 -0.015 0.000 0.822 463 L CB 1.923 43.934 42.059 -0.080 0.000 1.256 463 L HN 0.070 nan 8.230 nan 0.000 0.413 464 R N 1.344 121.880 120.500 0.059 0.000 2.801 464 R HA 0.159 4.499 4.340 0.001 0.000 0.273 464 R C 0.156 176.481 176.300 0.042 0.000 1.080 464 R CA -0.497 55.630 56.100 0.046 0.000 1.197 464 R CB 0.562 30.894 30.300 0.054 0.000 1.109 464 R HN 0.424 nan 8.270 nan 0.000 0.535 465 K N 0.534 120.953 120.400 0.032 0.000 2.451 465 K HA 0.156 4.477 4.320 0.001 0.000 0.280 465 K C -0.089 176.542 176.600 0.052 0.000 1.020 465 K CA 0.837 57.143 56.287 0.031 0.000 1.008 465 K CB 0.244 32.758 32.500 0.024 0.000 0.917 465 K HN 0.757 nan 8.250 nan 0.000 0.478 466 G N 2.588 111.419 108.800 0.051 0.000 2.340 466 G HA2 0.004 3.965 3.960 0.001 0.000 0.282 466 G HA3 0.004 3.965 3.960 0.001 0.000 0.282 466 G C -1.210 173.724 174.900 0.058 0.000 1.312 466 G CA -1.001 44.140 45.100 0.068 0.000 0.942 466 G HN 0.424 nan 8.290 nan 0.000 0.495 467 M N 1.039 120.677 119.600 0.063 0.000 2.248 467 M HA 0.438 4.918 4.480 0.001 0.000 0.345 467 M C 1.588 177.909 176.300 0.035 0.000 1.243 467 M CA 0.476 55.799 55.300 0.038 0.000 1.090 467 M CB 0.490 33.103 32.600 0.023 0.000 1.683 467 M HN 1.167 nan 8.290 nan 0.000 0.450 468 A N 2.471 125.299 122.820 0.014 0.000 2.044 468 A HA 0.387 4.707 4.320 0.001 0.000 0.213 468 A C 1.471 179.050 177.584 -0.009 0.000 1.169 468 A CA 0.841 52.880 52.037 0.004 0.000 0.724 468 A CB -0.464 18.535 19.000 -0.002 0.000 0.840 468 A HN 1.163 nan 8.150 nan 0.000 0.463 469 G N -0.344 108.448 108.800 -0.014 0.000 2.179 469 G HA2 -0.286 3.675 3.960 0.001 0.000 0.257 469 G HA3 -0.286 3.675 3.960 0.001 0.000 0.257 469 G C 0.229 175.125 174.900 -0.007 0.000 1.010 469 G CA 0.526 45.610 45.100 -0.026 0.000 0.736 469 G HN 0.665 nan 8.290 nan 0.000 0.513 470 R N 0.308 120.813 120.500 0.008 0.000 2.459 470 R HA 0.479 4.819 4.340 0.001 0.000 0.281 470 R C -2.118 174.197 176.300 0.025 0.000 1.050 470 R CA -1.454 54.661 56.100 0.025 0.000 1.055 470 R CB 1.339 31.657 30.300 0.031 0.000 1.045 470 R HN 0.116 nan 8.270 nan 0.000 0.495 471 P HA 0.151 nan 4.420 nan 0.000 0.209 471 P C -0.087 177.239 177.300 0.043 0.000 1.872 471 P CA -0.309 62.820 63.100 0.048 0.000 1.020 471 P CB 0.809 32.541 31.700 0.054 0.000 1.813 472 T N 0.736 115.303 114.554 0.022 0.000 2.624 472 T HA -0.206 4.145 4.350 0.001 0.000 0.268 472 T C 1.830 176.525 174.700 -0.008 0.000 1.041 472 T CA 1.571 63.667 62.100 -0.008 0.000 1.159 472 T CB -0.291 68.551 68.868 -0.044 0.000 0.863 472 T HN 0.336 nan 8.240 nan 0.000 0.434 473 R N 0.410 120.930 120.500 0.033 0.000 2.120 473 R HA -0.055 4.285 4.340 0.001 0.000 0.234 473 R C 2.719 179.102 176.300 0.139 0.000 1.123 473 R CA 1.493 57.650 56.100 0.096 0.000 0.975 473 R CB -0.601 29.820 30.300 0.202 0.000 0.866 473 R HN 0.346 nan 8.270 nan 0.000 0.446 474 T N 1.387 116.011 114.554 0.116 0.000 2.821 474 T HA -0.035 4.315 4.350 0.001 0.000 0.267 474 T C 1.820 176.613 174.700 0.155 0.000 1.046 474 T CA 0.879 63.055 62.100 0.127 0.000 1.139 474 T CB -0.022 68.898 68.868 0.087 0.000 0.871 474 T HN 0.140 nan 8.240 nan 0.000 0.454 475 L N 0.202 121.498 121.223 0.122 0.000 2.072 475 L HA 0.031 4.372 4.340 0.001 0.000 0.205 475 L C 2.381 179.349 176.870 0.163 0.000 1.079 475 L CA 1.071 56.018 54.840 0.179 0.000 0.752 475 L CB -0.539 41.599 42.059 0.132 0.000 0.906 475 L HN 0.264 nan 8.230 nan 0.000 0.436 476 I N -0.152 120.421 120.570 0.005 0.000 2.226 476 I HA -0.268 3.902 4.170 0.001 0.000 0.245 476 I C 2.600 178.756 176.117 0.065 0.000 1.100 476 I CA 1.170 62.386 61.300 -0.139 0.000 1.374 476 I CB -0.215 37.450 38.000 -0.558 0.000 1.057 476 I HN 0.243 nan 8.210 nan 0.000 0.413 477 E N 1.286 121.631 120.200 0.241 0.000 2.077 477 E HA -0.267 4.083 4.350 0.001 0.000 0.193 477 E C 2.013 178.809 176.600 0.326 0.000 0.989 477 E CA 1.404 58.043 56.400 0.398 0.000 0.800 477 E CB -0.399 29.517 29.700 0.360 0.000 0.746 477 E HN 0.425 nan 8.360 nan 0.000 0.452 478 F N 0.603 120.641 119.950 0.147 0.000 2.095 478 F HA -0.145 4.383 4.527 0.002 0.000 0.298 478 F C 1.753 177.658 175.800 0.176 0.000 1.104 478 F CA 1.544 59.615 58.000 0.118 0.000 1.232 478 F CB -0.322 38.732 39.000 0.090 0.000 0.987 478 F HN 0.050 nan 8.300 nan 0.000 0.475 479 L N -0.824 120.452 121.223 0.089 0.000 2.046 479 L HA -0.198 4.142 4.340 0.001 0.000 0.208 479 L C 2.484 179.392 176.870 0.064 0.000 1.077 479 L CA 1.534 56.374 54.840 -0.001 0.000 0.747 479 L CB -1.000 41.106 42.059 0.078 0.000 0.896 479 L HN 0.303 nan 8.230 nan 0.000 0.432 480 F N 1.215 121.174 119.950 0.015 0.000 2.069 480 F HA -0.233 4.295 4.527 0.001 0.000 0.298 480 F C 2.689 178.506 175.800 0.029 0.000 1.113 480 F CA 1.590 59.618 58.000 0.047 0.000 1.214 480 F CB -0.398 38.669 39.000 0.111 0.000 0.978 480 F HN -0.134 nan 8.300 nan 0.000 0.474 481 R N -0.919 119.345 120.500 -0.393 0.000 2.081 481 R HA -0.185 4.156 4.340 0.001 0.000 0.235 481 R C 2.314 178.412 176.300 -0.337 0.000 1.131 481 R CA 1.746 57.544 56.100 -0.503 0.000 0.960 481 R CB -1.073 29.084 30.300 -0.237 0.000 0.856 481 R HN 0.409 nan 8.270 nan 0.000 0.436 482 F N 1.936 121.640 119.950 -0.409 0.000 2.161 482 F HA -0.241 4.287 4.527 0.002 0.000 0.300 482 F C 2.488 178.176 175.800 -0.186 0.000 1.089 482 F CA 1.815 59.619 58.000 -0.326 0.000 1.282 482 F CB -0.212 38.487 39.000 -0.502 0.000 1.010 482 F HN 0.001 nan 8.300 nan 0.000 0.485 483 S N -0.730 114.983 115.700 0.021 0.000 2.481 483 S HA -0.060 4.411 4.470 0.001 0.000 0.231 483 S C 1.010 175.541 174.600 -0.114 0.000 0.996 483 S CA 0.085 58.298 58.200 0.021 0.000 0.942 483 S CB -0.383 62.874 63.200 0.095 0.000 0.768 483 S HN 0.340 nan 8.310 nan 0.000 0.520 484 Q N 0.000 119.652 119.800 -0.247 0.000 2.315 484 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 484 Q CA 0.000 55.660 55.803 -0.239 0.000 1.022 484 Q CB 0.000 28.509 28.738 -0.381 0.000 1.108 484 Q HN 0.000 nan 8.270 nan 0.000 0.481