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 1fa2_1_A DATA FIRST_RESID 1 DATA SEQUENCE APIPGVMPIG NYVSLYVMLP LGVVNADNVF PDKEKVEDEL KQVKAGGCDG DATA SEQUENCE VMVDVWWGII EAKGPKQYDW SAYRELFQLV KKCGLKIQAI MSFHQCGGNV DATA SEQUENCE GDAVFIPIPQ WILQIGDKNP DIFYTNRAGN RNQEYLSLGV DNQRLFQGRT DATA SEQUENCE ALEMYRDFME SFRDNMADFL KAGDIVDIEV GCGAAGELRY PSYPETQGWV DATA SEQUENCE FPGIGEFQCY DKYMVADWKE AVKQAGNADW EMPGKGAGTY NDTPDKTEFF DATA SEQUENCE RPNGTYKTDM GKFFLTWYSN KLIIHGDQVL EEANKVFVGL RVNIAAKVSG DATA SEQUENCE IHWWYNHVSH AAELTAGFYN VAGRDGYRPI ARMLARHHAT LNFTCLEMRD DATA SEQUENCE SEQPAEAKSA PQELVQQVLS SGWKEYIDVA GENALPRYDA TAYNQMLLKL DATA SEQUENCE RPNGVNLNGP PKLKMSGLTY LRLSDDLLQT DNFELFKKFV KKMHADLDPS DATA SEQUENCE PNAISPAVLE RSNSAITIDE LMEATKGSRP FPWYDVTDMP VDGSNPFD 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.575 177.584 -0.016 0.000 1.274 1 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 2 P HA 0.433 nan 4.420 nan 0.000 0.270 2 P C -0.426 176.864 177.300 -0.017 0.000 1.223 2 P CA -0.113 62.976 63.100 -0.019 0.000 0.785 2 P CB 0.467 32.154 31.700 -0.022 0.000 0.923 3 I N 3.088 123.647 120.570 -0.018 0.000 2.416 3 I HA 0.120 4.290 4.170 -0.000 0.000 0.288 3 I C -1.629 174.478 176.117 -0.016 0.000 1.051 3 I CA -2.090 59.200 61.300 -0.016 0.000 1.375 3 I CB 0.900 38.889 38.000 -0.017 0.000 1.407 3 I HN 0.283 nan 8.210 nan 0.000 0.516 4 P HA -0.005 nan 4.420 nan 0.000 0.265 4 P C 0.728 178.019 177.300 -0.015 0.000 1.187 4 P CA 0.499 63.591 63.100 -0.014 0.000 0.766 4 P CB 0.779 32.471 31.700 -0.012 0.000 0.820 5 G N 1.376 110.166 108.800 -0.016 0.000 2.205 5 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.261 5 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.261 5 G C -0.005 174.884 174.900 -0.018 0.000 0.980 5 G CA 0.043 45.133 45.100 -0.016 0.000 0.632 5 G HN 0.565 nan 8.290 nan 0.000 0.533 6 V N 1.604 121.506 119.914 -0.020 0.000 2.353 6 V HA 0.639 4.759 4.120 -0.000 0.000 0.264 6 V C 0.393 176.472 176.094 -0.024 0.000 1.049 6 V CA 0.005 62.292 62.300 -0.022 0.000 0.896 6 V CB 1.314 33.123 31.823 -0.023 0.000 1.025 6 V HN 0.404 nan 8.190 nan 0.000 0.475 7 M N 10.175 129.761 119.600 -0.023 0.000 2.055 7 M HA 0.512 4.992 4.480 -0.000 0.000 0.347 7 M C -2.358 173.927 176.300 -0.024 0.000 1.123 7 M CA -2.279 53.007 55.300 -0.023 0.000 1.035 7 M CB 1.052 33.641 32.600 -0.018 0.000 1.484 7 M HN 0.322 nan 8.290 nan 0.000 0.428 8 P HA 0.070 nan 4.420 nan 0.000 0.268 8 P C 1.007 178.292 177.300 -0.026 0.000 1.205 8 P CA -0.039 63.040 63.100 -0.034 0.000 0.771 8 P CB 0.248 31.923 31.700 -0.041 0.000 0.858 9 I N -0.049 120.500 120.570 -0.037 0.000 2.315 9 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 9 I C 1.984 178.097 176.117 -0.007 0.000 1.125 9 I CA 1.770 63.047 61.300 -0.038 0.000 1.392 9 I CB -1.414 36.529 38.000 -0.095 0.000 1.065 9 I HN 0.339 nan 8.210 nan 0.000 0.424 10 G N 1.469 110.253 108.800 -0.027 0.000 2.537 10 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 10 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 10 G C 1.335 176.224 174.900 -0.018 0.000 1.111 10 G CA 0.744 45.828 45.100 -0.028 0.000 0.748 10 G HN 0.517 nan 8.290 nan 0.000 0.564 11 N N -0.923 117.774 118.700 -0.005 0.000 2.422 11 N HA 0.012 4.752 4.740 -0.000 0.000 0.181 11 N C 0.069 175.590 175.510 0.018 0.000 1.080 11 N CA -0.255 52.782 53.050 -0.022 0.000 0.893 11 N CB 0.185 38.647 38.487 -0.041 0.000 0.973 11 N HN 0.441 nan 8.380 nan 0.000 0.456 12 Y N 1.608 121.867 120.300 -0.068 0.000 2.610 12 Y HA 0.072 4.622 4.550 -0.000 0.000 0.332 12 Y C -0.169 175.710 175.900 -0.034 0.000 1.201 12 Y CA 0.214 58.282 58.100 -0.052 0.000 1.465 12 Y CB 0.586 38.991 38.460 -0.092 0.000 1.283 12 Y HN -0.317 nan 8.280 nan 0.000 0.563 13 V N 5.645 125.421 119.914 -0.231 0.000 2.525 13 V HA 0.222 4.342 4.120 -0.000 0.000 0.299 13 V C -0.425 175.544 176.094 -0.209 0.000 1.034 13 V CA -1.141 61.090 62.300 -0.114 0.000 0.863 13 V CB 1.752 33.506 31.823 -0.115 0.000 0.999 13 V HN 0.858 nan 8.190 nan 0.000 0.423 14 S N 5.447 121.125 115.700 -0.035 0.000 2.568 14 S HA 0.414 4.883 4.470 -0.000 0.000 0.282 14 S C -0.391 174.054 174.600 -0.258 0.000 1.338 14 S CA -0.122 58.003 58.200 -0.124 0.000 1.045 14 S CB 0.593 63.739 63.200 -0.090 0.000 0.873 14 S HN 0.563 nan 8.310 nan 0.000 0.516 15 L N 3.885 124.859 121.223 -0.415 0.000 2.404 15 L HA 0.533 4.873 4.340 -0.000 0.000 0.272 15 L C -1.895 174.764 176.870 -0.351 0.000 0.980 15 L CA -0.449 54.195 54.840 -0.326 0.000 0.836 15 L CB 0.790 42.572 42.059 -0.461 0.000 1.238 15 L HN 0.689 nan 8.230 nan 0.000 0.408 16 Y N 3.319 123.684 120.300 0.109 0.000 2.549 16 Y HA 0.697 5.247 4.550 -0.000 0.000 0.339 16 Y C 0.168 176.204 175.900 0.226 0.000 1.053 16 Y CA -0.953 57.231 58.100 0.139 0.000 1.105 16 Y CB 2.043 40.560 38.460 0.095 0.000 1.258 16 Y HN 0.252 nan 8.280 nan 0.000 0.478 17 V N 2.843 122.991 119.914 0.390 0.000 2.604 17 V HA 0.374 4.494 4.120 -0.000 0.000 0.305 17 V C -0.231 176.015 176.094 0.254 0.000 1.043 17 V CA -1.114 61.411 62.300 0.376 0.000 0.888 17 V CB 1.685 33.726 31.823 0.364 0.000 0.995 17 V HN 0.726 nan 8.190 nan 0.000 0.429 18 M N 4.520 124.241 119.600 0.203 0.000 2.211 18 M HA 0.416 4.896 4.480 -0.000 0.000 0.356 18 M C -0.434 175.937 176.300 0.117 0.000 1.216 18 M CA -0.046 55.328 55.300 0.124 0.000 1.134 18 M CB 0.763 33.408 32.600 0.075 0.000 1.564 18 M HN 0.441 nan 8.290 nan 0.000 0.463 19 L N 3.651 124.937 121.223 0.104 0.000 2.456 19 L HA 0.358 4.698 4.340 -0.000 0.000 0.257 19 L C -1.995 174.935 176.870 0.099 0.000 1.162 19 L CA -2.003 52.896 54.840 0.098 0.000 0.808 19 L CB 0.123 42.233 42.059 0.086 0.000 1.136 19 L HN 0.355 nan 8.230 nan 0.000 0.466 20 P HA -0.030 nan 4.420 nan 0.000 0.266 20 P C 0.836 178.208 177.300 0.119 0.000 1.193 20 P CA 0.070 63.225 63.100 0.091 0.000 0.770 20 P CB 0.521 32.269 31.700 0.079 0.000 0.836 21 L N 1.937 123.237 121.223 0.129 0.000 1.997 21 L HA -0.196 4.144 4.340 -0.000 0.000 0.216 21 L C 1.889 178.876 176.870 0.195 0.000 1.074 21 L CA 2.284 57.233 54.840 0.183 0.000 0.763 21 L CB -0.936 41.206 42.059 0.137 0.000 0.890 21 L HN 0.583 nan 8.230 nan 0.000 0.434 22 G N -1.763 107.102 108.800 0.109 0.000 3.702 22 G HA2 0.130 4.090 3.960 -0.000 0.000 0.288 22 G HA3 0.130 4.090 3.960 -0.000 0.000 0.288 22 G C 1.073 176.016 174.900 0.073 0.000 1.193 22 G CA -0.115 45.033 45.100 0.079 0.000 0.952 22 G HN 0.131 nan 8.290 nan 0.000 0.544 23 V N 0.107 120.064 119.914 0.072 0.000 2.876 23 V HA -0.088 4.031 4.120 -0.000 0.000 0.265 23 V C 0.597 176.641 176.094 -0.083 0.000 1.135 23 V CA 1.435 63.742 62.300 0.011 0.000 1.152 23 V CB -0.072 31.728 31.823 -0.037 0.000 0.727 23 V HN 0.099 nan 8.190 nan 0.000 0.511 24 V N 1.234 121.107 119.914 -0.068 0.000 2.462 24 V HA 0.291 4.410 4.120 -0.000 0.000 0.288 24 V C 0.160 176.265 176.094 0.019 0.000 1.020 24 V CA -0.868 61.365 62.300 -0.111 0.000 0.857 24 V CB 1.306 32.894 31.823 -0.393 0.000 1.013 24 V HN 0.423 nan 8.190 nan 0.000 0.431 25 N N 2.267 120.990 118.700 0.039 0.000 2.265 25 N HA 0.020 4.760 4.740 -0.000 0.000 0.231 25 N C 1.481 176.997 175.510 0.010 0.000 1.266 25 N CA 0.447 53.513 53.050 0.027 0.000 0.862 25 N CB 1.066 39.575 38.487 0.038 0.000 1.100 25 N HN 0.829 nan 8.380 nan 0.000 0.439 26 A N 1.696 124.494 122.820 -0.037 0.000 2.024 26 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 26 A C 0.297 177.864 177.584 -0.028 0.000 1.164 26 A CA 1.319 53.308 52.037 -0.081 0.000 0.643 26 A CB -0.025 18.902 19.000 -0.123 0.000 0.806 26 A HN 0.657 nan 8.150 nan 0.000 0.451 27 D N 0.614 121.014 120.400 0.001 0.000 2.277 27 D HA 0.063 4.703 4.640 -0.000 0.000 0.249 27 D C -0.298 176.027 176.300 0.042 0.000 1.134 27 D CA -0.344 53.667 54.000 0.019 0.000 0.863 27 D CB 0.441 41.254 40.800 0.022 0.000 1.143 27 D HN 0.040 nan 8.370 nan 0.000 0.458 28 N N 1.786 120.519 118.700 0.056 0.000 2.993 28 N HA -0.040 4.700 4.740 -0.000 0.000 0.321 28 N C -0.915 174.644 175.510 0.082 0.000 1.263 28 N CA 0.267 53.367 53.050 0.084 0.000 1.132 28 N CB -0.188 38.350 38.487 0.086 0.000 1.409 28 N HN 0.199 nan 8.380 nan 0.000 0.568 29 V N 1.185 121.146 119.914 0.078 0.000 2.628 29 V HA 0.357 4.477 4.120 -0.000 0.000 0.306 29 V C -0.114 176.077 176.094 0.161 0.000 1.045 29 V CA -0.957 61.404 62.300 0.101 0.000 0.905 29 V CB 2.098 33.964 31.823 0.073 0.000 0.997 29 V HN 0.155 nan 8.190 nan 0.000 0.436 30 F N 6.844 126.783 119.950 -0.020 0.000 2.319 30 F HA 0.519 5.046 4.527 -0.000 0.000 0.356 30 F C -2.068 173.725 175.800 -0.011 0.000 1.100 30 F CA -2.199 55.782 58.000 -0.031 0.000 1.220 30 F CB 1.238 40.212 39.000 -0.044 0.000 1.506 30 F HN 0.415 nan 8.300 nan 0.000 0.512 31 P HA 0.224 nan 4.420 nan 0.000 0.279 31 P C -0.907 176.366 177.300 -0.045 0.000 1.276 31 P CA 0.001 63.102 63.100 0.001 0.000 0.801 31 P CB 0.943 32.670 31.700 0.045 0.000 1.127 32 D N -1.232 119.123 120.400 -0.074 0.000 2.751 32 D HA -0.170 4.470 4.640 -0.000 0.000 0.233 32 D C 1.021 177.245 176.300 -0.125 0.000 1.149 32 D CA 1.015 54.979 54.000 -0.059 0.000 0.682 32 D CB -1.253 39.555 40.800 0.014 0.000 1.068 32 D HN 0.449 nan 8.370 nan 0.000 0.429 33 K N 0.106 120.312 120.400 -0.323 0.000 2.034 33 K HA -0.239 4.081 4.320 -0.000 0.000 0.214 33 K C 1.832 178.336 176.600 -0.160 0.000 1.051 33 K CA 1.224 57.237 56.287 -0.456 0.000 0.931 33 K CB -0.033 32.152 32.500 -0.524 0.000 0.715 33 K HN 0.251 nan 8.250 nan 0.000 0.446 34 E N 1.077 121.211 120.200 -0.111 0.000 2.033 34 E HA -0.245 4.104 4.350 -0.000 0.000 0.199 34 E C 1.966 178.556 176.600 -0.018 0.000 1.011 34 E CA 1.327 57.697 56.400 -0.049 0.000 0.815 34 E CB -0.240 29.435 29.700 -0.042 0.000 0.755 34 E HN 0.293 nan 8.360 nan 0.000 0.451 35 K N 0.813 121.205 120.400 -0.014 0.000 1.987 35 K HA -0.169 4.151 4.320 -0.000 0.000 0.216 35 K C 2.238 178.855 176.600 0.028 0.000 1.051 35 K CA 1.875 58.165 56.287 0.005 0.000 0.942 35 K CB -0.319 32.187 32.500 0.009 0.000 0.722 35 K HN -0.052 nan 8.250 nan 0.000 0.444 36 V N 2.549 122.500 119.914 0.062 0.000 2.278 36 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 36 V C 2.246 178.401 176.094 0.102 0.000 1.062 36 V CA 2.500 64.868 62.300 0.114 0.000 1.038 36 V CB -0.827 31.142 31.823 0.242 0.000 0.646 36 V HN 0.638 nan 8.190 nan 0.000 0.447 37 E N -0.804 119.449 120.200 0.089 0.000 2.516 37 E HA -0.200 4.149 4.350 -0.000 0.000 0.199 37 E C 1.194 177.823 176.600 0.049 0.000 1.069 37 E CA 1.189 57.637 56.400 0.079 0.000 0.876 37 E CB -0.147 29.593 29.700 0.067 0.000 0.843 37 E HN 0.545 nan 8.360 nan 0.000 0.530 38 D N 1.168 121.587 120.400 0.032 0.000 2.324 38 D HA -0.018 4.622 4.640 -0.000 0.000 0.212 38 D C 1.468 177.766 176.300 -0.003 0.000 0.984 38 D CA 0.531 54.538 54.000 0.012 0.000 0.885 38 D CB 0.226 41.025 40.800 -0.001 0.000 0.996 38 D HN 0.342 nan 8.370 nan 0.000 0.505 39 E N 0.416 120.617 120.200 0.001 0.000 2.072 39 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 39 E C 2.240 178.845 176.600 0.008 0.000 0.982 39 E CA 0.318 56.703 56.400 -0.025 0.000 0.803 39 E CB 0.054 29.750 29.700 -0.006 0.000 0.755 39 E HN 0.198 nan 8.360 nan 0.000 0.453 40 L N 1.204 122.456 121.223 0.049 0.000 2.079 40 L HA -0.233 4.106 4.340 -0.000 0.000 0.210 40 L C 2.632 179.546 176.870 0.073 0.000 1.081 40 L CA 1.316 56.201 54.840 0.074 0.000 0.752 40 L CB -0.296 41.815 42.059 0.088 0.000 0.896 40 L HN 0.083 nan 8.230 nan 0.000 0.433 41 K N -0.564 119.870 120.400 0.056 0.000 2.097 41 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 41 K C 2.214 178.858 176.600 0.074 0.000 1.050 41 K CA 1.170 57.493 56.287 0.060 0.000 0.938 41 K CB 0.073 32.600 32.500 0.045 0.000 0.718 41 K HN 0.313 nan 8.250 nan 0.000 0.442 42 Q N -0.032 119.790 119.800 0.037 0.000 2.046 42 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 42 Q C 2.125 178.253 176.000 0.213 0.000 0.975 42 Q CA 1.517 57.343 55.803 0.039 0.000 0.836 42 Q CB -0.053 28.547 28.738 -0.231 0.000 0.896 42 Q HN 0.158 nan 8.270 nan 0.000 0.428 43 V N 1.495 121.503 119.914 0.157 0.000 2.324 43 V HA -0.307 3.813 4.120 -0.000 0.000 0.250 43 V C 2.327 178.575 176.094 0.258 0.000 1.060 43 V CA 2.174 64.638 62.300 0.273 0.000 1.042 43 V CB -0.465 31.471 31.823 0.188 0.000 0.650 43 V HN 0.279 nan 8.190 nan 0.000 0.450 44 K N 0.836 121.340 120.400 0.174 0.000 2.148 44 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 44 K C 1.903 178.583 176.600 0.134 0.000 1.050 44 K CA 1.523 57.890 56.287 0.133 0.000 0.942 44 K CB -0.519 32.040 32.500 0.098 0.000 0.724 44 K HN 0.404 nan 8.250 nan 0.000 0.446 45 A N -0.193 122.728 122.820 0.169 0.000 2.119 45 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 45 A C 2.045 179.723 177.584 0.157 0.000 1.153 45 A CA 1.217 53.350 52.037 0.159 0.000 0.692 45 A CB -0.682 18.430 19.000 0.185 0.000 0.799 45 A HN 0.436 nan 8.150 nan 0.000 0.458 46 G N -1.950 106.979 108.800 0.215 0.000 2.985 46 G HA2 0.361 4.321 3.960 -0.000 0.000 0.209 46 G HA3 0.361 4.321 3.960 -0.000 0.000 0.209 46 G C 1.115 176.005 174.900 -0.017 0.000 1.165 46 G CA 0.463 45.598 45.100 0.059 0.000 0.776 46 G HN 1.544 nan 8.290 nan 0.000 0.541 47 G N -1.265 107.562 108.800 0.045 0.000 2.157 47 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 47 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 47 G C 0.553 175.496 174.900 0.072 0.000 0.979 47 G CA 0.000 45.126 45.100 0.043 0.000 0.650 47 G HN 0.537 nan 8.290 nan 0.000 0.529 48 C N 0.545 119.885 119.300 0.066 0.000 2.702 48 C HA 0.336 4.796 4.460 -0.000 0.000 0.411 48 C C 1.855 176.872 174.990 0.044 0.000 1.286 48 C CA 1.077 60.126 59.018 0.053 0.000 1.979 48 C CB 0.281 28.111 27.740 0.151 0.000 2.728 48 C HN 0.603 nan 8.230 nan 0.000 0.652 49 D N -0.255 120.114 120.400 -0.052 0.000 2.240 49 D HA 0.325 4.965 4.640 -0.000 0.000 0.206 49 D C 1.003 177.290 176.300 -0.023 0.000 0.963 49 D CA 1.314 55.252 54.000 -0.103 0.000 0.863 49 D CB 0.160 40.772 40.800 -0.313 0.000 0.973 49 D HN 0.845 nan 8.370 nan 0.000 0.501 50 G N -0.812 108.023 108.800 0.059 0.000 2.428 50 G HA2 0.469 4.429 3.960 -0.000 0.000 0.305 50 G HA3 0.469 4.429 3.960 -0.000 0.000 0.305 50 G C -1.729 173.376 174.900 0.341 0.000 1.260 50 G CA -0.256 45.008 45.100 0.274 0.000 0.853 50 G HN 0.277 nan 8.290 nan 0.000 0.480 51 V N -2.796 117.277 119.914 0.264 0.000 3.130 51 V HA 0.901 5.021 4.120 -0.000 0.000 0.310 51 V C -0.388 175.747 176.094 0.067 0.000 1.158 51 V CA -1.017 61.395 62.300 0.187 0.000 1.029 51 V CB 1.993 33.891 31.823 0.124 0.000 1.057 51 V HN 1.184 nan 8.190 nan 0.000 0.436 52 M N 3.153 122.785 119.600 0.053 0.000 2.243 52 M HA 0.833 5.312 4.480 -0.000 0.000 0.324 52 M C -1.929 174.377 176.300 0.010 0.000 1.031 52 M CA -0.650 54.633 55.300 -0.029 0.000 0.949 52 M CB 1.740 34.314 32.600 -0.042 0.000 1.615 52 M HN 0.855 nan 8.290 nan 0.000 0.430 53 V N 4.751 124.669 119.914 0.007 0.000 2.789 53 V HA 0.477 4.597 4.120 -0.000 0.000 0.311 53 V C -1.090 175.001 176.094 -0.006 0.000 1.073 53 V CA -0.604 61.739 62.300 0.072 0.000 0.921 53 V CB 2.440 34.390 31.823 0.211 0.000 1.009 53 V HN 0.894 nan 8.190 nan 0.000 0.426 54 D N 4.543 124.873 120.400 -0.116 0.000 2.325 54 D HA 0.193 4.833 4.640 -0.000 0.000 0.251 54 D C -0.273 175.740 176.300 -0.478 0.000 1.196 54 D CA 0.130 53.797 54.000 -0.554 0.000 0.866 54 D CB 1.885 41.937 40.800 -1.247 0.000 1.101 54 D HN 0.339 nan 8.370 nan 0.000 0.476 55 V N 4.314 123.957 119.914 -0.450 0.000 2.222 55 V HA 0.043 4.163 4.120 -0.000 0.000 0.253 55 V C -0.034 175.857 176.094 -0.338 0.000 1.210 55 V CA -0.807 61.214 62.300 -0.464 0.000 1.079 55 V CB -0.858 30.805 31.823 -0.267 0.000 1.265 55 V HN 0.432 nan 8.190 nan 0.000 0.494 56 W N 3.048 124.315 121.300 -0.055 0.000 2.347 56 W HA 0.038 4.698 4.660 -0.000 0.000 0.333 56 W C 1.051 177.599 176.519 0.048 0.000 1.383 56 W CA -0.160 57.164 57.345 -0.036 0.000 1.283 56 W CB 0.296 29.752 29.460 -0.007 0.000 1.253 56 W HN 0.691 nan 8.180 nan 0.000 0.563 57 W N 3.198 124.466 121.300 -0.053 0.000 2.388 57 W HA -0.072 4.588 4.660 -0.000 0.000 0.294 57 W C 1.931 178.448 176.519 -0.003 0.000 1.212 57 W CA 1.862 59.080 57.345 -0.211 0.000 1.271 57 W CB -0.816 28.424 29.460 -0.368 0.000 1.126 57 W HN 0.407 nan 8.180 nan 0.000 0.535 58 G N 0.135 108.956 108.800 0.035 0.000 2.776 58 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.209 58 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.209 58 G C 1.365 176.224 174.900 -0.068 0.000 1.145 58 G CA 0.918 45.912 45.100 -0.176 0.000 0.791 58 G HN 0.355 nan 8.290 nan 0.000 0.530 59 I N -0.167 120.453 120.570 0.083 0.000 3.194 59 I HA 0.112 4.282 4.170 -0.000 0.000 0.271 59 I C 2.024 178.204 176.117 0.105 0.000 1.150 59 I CA -0.069 61.293 61.300 0.103 0.000 1.440 59 I CB 0.125 38.259 38.000 0.223 0.000 1.276 59 I HN -0.030 nan 8.210 nan 0.000 0.457 60 I N 0.910 121.567 120.570 0.145 0.000 2.315 60 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 60 I C 1.716 177.889 176.117 0.094 0.000 1.117 60 I CA 1.588 62.893 61.300 0.009 0.000 1.404 60 I CB -0.797 37.113 38.000 -0.150 0.000 1.071 60 I HN 0.320 nan 8.210 nan 0.000 0.419 61 E N 0.572 120.926 120.200 0.255 0.000 2.736 61 E HA 0.331 4.681 4.350 -0.000 0.000 0.208 61 E C 1.564 178.284 176.600 0.200 0.000 0.996 61 E CA -0.012 56.526 56.400 0.230 0.000 1.104 61 E CB 0.413 30.418 29.700 0.508 0.000 1.111 61 E HN 0.274 nan 8.360 nan 0.000 0.455 62 A N 1.243 124.117 122.820 0.089 0.000 1.858 62 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 62 A C 1.934 179.585 177.584 0.112 0.000 1.190 62 A CA 1.301 53.376 52.037 0.064 0.000 0.617 62 A CB -0.147 18.861 19.000 0.014 0.000 0.827 62 A HN 0.230 nan 8.150 nan 0.000 0.443 63 K N -1.021 119.409 120.400 0.050 0.000 2.103 63 K HA 0.089 4.409 4.320 -0.000 0.000 0.207 63 K C 0.906 177.487 176.600 -0.032 0.000 1.048 63 K CA 0.831 57.124 56.287 0.010 0.000 0.930 63 K CB -0.238 32.249 32.500 -0.022 0.000 0.716 63 K HN 0.601 nan 8.250 nan 0.000 0.444 64 G N 0.367 109.113 108.800 -0.089 0.000 2.340 64 G HA2 0.090 4.050 3.960 -0.000 0.000 0.298 64 G HA3 0.090 4.050 3.960 -0.000 0.000 0.298 64 G C -3.202 171.246 174.900 -0.753 0.000 1.498 64 G CA -1.207 43.622 45.100 -0.452 0.000 0.847 64 G HN -0.280 nan 8.290 nan 0.000 0.594 65 P HA 0.052 nan 4.420 nan 0.000 0.261 65 P C 0.251 177.317 177.300 -0.391 0.000 1.173 65 P CA 0.702 63.284 63.100 -0.862 0.000 0.760 65 P CB 0.863 32.110 31.700 -0.754 0.000 0.783 66 K N -0.289 119.934 120.400 -0.296 0.000 3.596 66 K HA -0.200 4.120 4.320 -0.000 0.000 0.295 66 K C 0.458 176.762 176.600 -0.493 0.000 1.230 66 K CA 1.460 57.556 56.287 -0.319 0.000 1.029 66 K CB -1.526 30.954 32.500 -0.034 0.000 1.303 66 K HN 0.764 nan 8.250 nan 0.000 0.442 67 Q N 0.871 120.395 119.800 -0.460 0.000 2.456 67 Q HA 0.380 4.720 4.340 -0.000 0.000 0.234 67 Q C -0.780 175.050 176.000 -0.283 0.000 1.061 67 Q CA -0.461 55.188 55.803 -0.257 0.000 0.896 67 Q CB 0.036 28.682 28.738 -0.154 0.000 1.233 67 Q HN 0.118 nan 8.270 nan 0.000 0.506 68 Y N 0.542 120.836 120.300 -0.011 0.000 2.387 68 Y HA 0.394 4.944 4.550 -0.000 0.000 0.330 68 Y C 0.131 175.859 175.900 -0.287 0.000 1.133 68 Y CA -1.200 56.778 58.100 -0.203 0.000 1.152 68 Y CB 1.265 39.531 38.460 -0.323 0.000 1.215 68 Y HN 0.502 nan 8.280 nan 0.000 0.466 69 D N 1.788 122.027 120.400 -0.268 0.000 2.469 69 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 69 D C -1.016 175.140 176.300 -0.240 0.000 1.173 69 D CA -0.707 53.202 54.000 -0.152 0.000 0.882 69 D CB 0.526 41.305 40.800 -0.035 0.000 1.129 69 D HN 0.677 nan 8.370 nan 0.000 0.549 70 W N 2.424 123.800 121.300 0.127 0.000 3.278 70 W HA 0.106 4.766 4.660 -0.000 0.000 0.308 70 W C 2.128 178.711 176.519 0.107 0.000 1.253 70 W CA -0.353 57.055 57.345 0.105 0.000 1.759 70 W CB 0.211 29.687 29.460 0.027 0.000 1.093 70 W HN 0.268 nan 8.180 nan 0.000 0.648 71 S N 1.697 117.546 115.700 0.249 0.000 2.401 71 S HA -0.377 4.093 4.470 -0.000 0.000 0.236 71 S C 2.151 176.857 174.600 0.178 0.000 1.058 71 S CA 2.342 60.654 58.200 0.187 0.000 1.151 71 S CB -1.045 62.236 63.200 0.135 0.000 1.049 71 S HN 0.368 nan 8.310 nan 0.000 0.432 72 A N 0.483 123.401 122.820 0.162 0.000 1.851 72 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 72 A C 1.951 179.521 177.584 -0.024 0.000 1.195 72 A CA 1.853 53.951 52.037 0.102 0.000 0.622 72 A CB -1.307 17.726 19.000 0.055 0.000 0.831 72 A HN 0.554 nan 8.150 nan 0.000 0.444 73 Y N -0.231 120.038 120.300 -0.052 0.000 2.298 73 Y HA -0.213 4.337 4.550 -0.000 0.000 0.287 73 Y C 2.706 178.338 175.900 -0.447 0.000 1.164 73 Y CA 1.666 59.577 58.100 -0.315 0.000 1.229 73 Y CB -0.114 38.200 38.460 -0.243 0.000 0.977 73 Y HN 0.176 nan 8.280 nan 0.000 0.538 74 R N 0.441 120.959 120.500 0.029 0.000 2.075 74 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 74 R C 1.952 178.372 176.300 0.200 0.000 1.126 74 R CA 1.566 57.760 56.100 0.158 0.000 0.963 74 R CB -0.335 30.093 30.300 0.213 0.000 0.858 74 R HN 0.499 nan 8.270 nan 0.000 0.435 75 E N 0.715 121.023 120.200 0.181 0.000 2.072 75 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 75 E C 1.982 178.755 176.600 0.289 0.000 0.985 75 E CA 0.590 57.153 56.400 0.272 0.000 0.801 75 E CB -0.160 29.765 29.700 0.374 0.000 0.750 75 E HN 0.110 nan 8.360 nan 0.000 0.452 76 L N 0.575 121.819 121.223 0.036 0.000 2.042 76 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 76 L C 1.992 178.956 176.870 0.158 0.000 1.076 76 L CA 1.826 56.554 54.840 -0.186 0.000 0.749 76 L CB -0.483 41.209 42.059 -0.611 0.000 0.893 76 L HN 0.125 nan 8.230 nan 0.000 0.432 77 F N 0.085 119.979 119.950 -0.093 0.000 2.206 77 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 77 F C 2.840 178.467 175.800 -0.288 0.000 1.090 77 F CA 0.619 58.444 58.000 -0.291 0.000 1.323 77 F CB -1.087 37.553 39.000 -0.600 0.000 1.028 77 F HN 0.216 nan 8.300 nan 0.000 0.492 78 Q N 0.372 120.273 119.800 0.168 0.000 2.119 78 Q HA -0.154 4.186 4.340 -0.000 0.000 0.201 78 Q C 2.567 178.669 176.000 0.169 0.000 0.972 78 Q CA 0.858 56.804 55.803 0.238 0.000 0.847 78 Q CB -0.665 28.268 28.738 0.326 0.000 0.903 78 Q HN 0.406 nan 8.270 nan 0.000 0.433 79 L N -0.121 121.218 121.223 0.193 0.000 2.017 79 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 79 L C 2.299 179.246 176.870 0.127 0.000 1.073 79 L CA 1.086 56.037 54.840 0.184 0.000 0.745 79 L CB -0.309 41.922 42.059 0.287 0.000 0.894 79 L HN 0.048 nan 8.230 nan 0.000 0.432 80 V N 0.137 120.112 119.914 0.101 0.000 2.343 80 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 80 V C 2.553 178.658 176.094 0.019 0.000 1.051 80 V CA 2.056 64.385 62.300 0.048 0.000 1.036 80 V CB -0.630 31.192 31.823 -0.002 0.000 0.654 80 V HN 0.474 nan 8.190 nan 0.000 0.451 81 K N 0.225 120.620 120.400 -0.008 0.000 2.147 81 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 81 K C 2.162 178.796 176.600 0.055 0.000 1.049 81 K CA 1.471 57.763 56.287 0.008 0.000 0.936 81 K CB -0.085 32.433 32.500 0.029 0.000 0.722 81 K HN 0.433 nan 8.250 nan 0.000 0.446 82 K N -0.243 120.203 120.400 0.075 0.000 2.148 82 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 82 K C 1.808 178.446 176.600 0.063 0.000 1.050 82 K CA 1.143 57.476 56.287 0.076 0.000 0.942 82 K CB 0.008 32.560 32.500 0.086 0.000 0.724 82 K HN 0.192 nan 8.250 nan 0.000 0.446 83 C N 0.748 120.086 119.300 0.063 0.000 2.613 83 C HA 0.181 4.641 4.460 -0.000 0.000 0.273 83 C C 1.162 176.184 174.990 0.053 0.000 1.304 83 C CA 0.097 59.151 59.018 0.060 0.000 1.702 83 C CB -1.168 26.613 27.740 0.069 0.000 1.792 83 C HN 0.739 nan 8.230 nan 0.000 0.588 84 G N 1.263 110.090 108.800 0.046 0.000 2.272 84 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.280 84 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.280 84 G C -0.339 174.584 174.900 0.038 0.000 1.067 84 G CA -0.025 45.098 45.100 0.038 0.000 0.902 84 G HN 0.549 nan 8.290 nan 0.000 0.500 85 L N -1.235 120.009 121.223 0.036 0.000 2.354 85 L HA 0.675 5.014 4.340 -0.000 0.000 0.269 85 L C 0.496 177.382 176.870 0.026 0.000 1.005 85 L CA -1.369 53.499 54.840 0.046 0.000 0.819 85 L CB 1.777 43.874 42.059 0.064 0.000 1.311 85 L HN -0.011 nan 8.230 nan 0.000 0.423 86 K N 1.417 121.858 120.400 0.068 0.000 2.102 86 K HA 0.611 4.931 4.320 -0.000 0.000 0.244 86 K C -0.853 175.751 176.600 0.006 0.000 1.021 86 K CA -0.018 56.304 56.287 0.058 0.000 0.913 86 K CB 0.821 33.422 32.500 0.168 0.000 1.062 86 K HN 0.351 nan 8.250 nan 0.000 0.485 87 I N 1.712 122.214 120.570 -0.113 0.000 2.466 87 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 87 I C -0.600 175.358 176.117 -0.264 0.000 1.026 87 I CA -0.648 60.502 61.300 -0.249 0.000 1.078 87 I CB 1.971 39.651 38.000 -0.532 0.000 1.249 87 I HN 0.290 nan 8.210 nan 0.000 0.429 88 Q N 5.115 124.748 119.800 -0.278 0.000 2.400 88 Q HA 0.636 4.976 4.340 -0.000 0.000 0.255 88 Q C -0.580 175.287 176.000 -0.221 0.000 1.008 88 Q CA -0.612 55.008 55.803 -0.306 0.000 0.841 88 Q CB 2.236 30.727 28.738 -0.412 0.000 1.220 88 Q HN 0.780 nan 8.270 nan 0.000 0.474 89 A N 4.168 126.864 122.820 -0.206 0.000 2.290 89 A HA 0.598 4.917 4.320 -0.000 0.000 0.310 89 A C -0.364 177.073 177.584 -0.245 0.000 1.202 89 A CA -0.555 51.384 52.037 -0.164 0.000 0.837 89 A CB 0.480 19.422 19.000 -0.098 0.000 1.139 89 A HN 0.758 nan 8.150 nan 0.000 0.509 90 I N 3.244 123.667 120.570 -0.245 0.000 2.336 90 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 90 I C -0.146 175.749 176.117 -0.370 0.000 0.991 90 I CA -0.437 60.695 61.300 -0.281 0.000 1.227 90 I CB 1.540 39.384 38.000 -0.261 0.000 1.366 90 I HN 0.502 nan 8.210 nan 0.000 0.466 91 M N 5.103 124.469 119.600 -0.390 0.000 2.557 91 M HA 0.152 4.632 4.480 -0.000 0.000 0.328 91 M C -0.093 175.777 176.300 -0.717 0.000 1.423 91 M CA 0.156 55.122 55.300 -0.556 0.000 1.418 91 M CB -0.213 32.102 32.600 -0.475 0.000 1.381 91 M HN 0.415 nan 8.290 nan 0.000 0.467 92 S N 3.681 119.004 115.700 -0.628 0.000 2.681 92 S HA 0.293 4.763 4.470 -0.000 0.000 0.313 92 S C 0.422 174.843 174.600 -0.299 0.000 1.137 92 S CA -0.401 57.557 58.200 -0.404 0.000 1.045 92 S CB -0.601 62.129 63.200 -0.784 0.000 1.208 92 S HN 0.443 nan 8.310 nan 0.000 0.523 93 F N 3.353 123.367 119.950 0.107 0.000 2.777 93 F HA 0.167 4.694 4.527 -0.000 0.000 0.291 93 F C 1.537 177.677 175.800 0.566 0.000 1.187 93 F CA -0.441 57.654 58.000 0.157 0.000 1.406 93 F CB -0.136 38.716 39.000 -0.246 0.000 0.982 93 F HN 0.588 nan 8.300 nan 0.000 0.509 94 H N -1.454 117.907 119.070 0.485 0.000 2.906 94 H HA 0.451 5.007 4.556 -0.000 0.000 0.337 94 H C -1.152 174.433 175.328 0.428 0.000 1.257 94 H CA -1.273 55.063 56.048 0.480 0.000 1.192 94 H CB 0.899 30.878 29.762 0.361 0.000 1.912 94 H HN 0.129 nan 8.280 nan 0.000 0.573 95 Q N 0.117 120.110 119.800 0.323 0.000 2.230 95 Q HA 0.386 4.726 4.340 -0.000 0.000 0.253 95 Q C -1.027 175.008 176.000 0.057 0.000 0.919 95 Q CA -0.779 55.075 55.803 0.085 0.000 0.908 95 Q CB 1.404 30.212 28.738 0.116 0.000 1.245 95 Q HN 0.623 nan 8.270 nan 0.000 0.437 96 C N 4.605 123.733 119.300 -0.286 0.000 2.170 96 C HA 0.571 5.031 4.460 -0.000 0.000 0.339 96 C C 0.757 175.705 174.990 -0.070 0.000 1.056 96 C CA -0.029 58.830 59.018 -0.264 0.000 1.535 96 C CB -1.613 25.584 27.740 -0.904 0.000 1.785 96 C HN 0.973 nan 8.230 nan 0.000 0.440 97 G N 4.340 113.183 108.800 0.071 0.000 2.938 97 G HA2 0.107 4.067 3.960 -0.000 0.000 0.324 97 G HA3 0.107 4.067 3.960 -0.000 0.000 0.324 97 G C 0.764 175.751 174.900 0.145 0.000 0.220 97 G CA 0.536 45.698 45.100 0.104 0.000 1.222 97 G HN 1.456 nan 8.290 nan 0.000 0.274 98 G N 2.446 111.357 108.800 0.186 0.000 4.804 98 G HA2 0.336 4.296 3.960 -0.000 0.000 0.310 98 G HA3 0.336 4.296 3.960 -0.000 0.000 0.310 98 G C 0.379 175.177 174.900 -0.171 0.000 1.389 98 G CA -0.385 44.752 45.100 0.062 0.000 1.106 98 G HN 0.797 nan 8.290 nan 0.000 0.595 99 N N -0.286 118.376 118.700 -0.063 0.000 2.413 99 N HA 0.144 4.884 4.740 -0.000 0.000 0.266 99 N C 1.824 177.293 175.510 -0.068 0.000 1.238 99 N CA -0.820 52.186 53.050 -0.073 0.000 0.972 99 N CB 1.460 39.931 38.487 -0.027 0.000 1.210 99 N HN -0.126 nan 8.380 nan 0.000 0.547 100 V N 1.330 121.207 119.914 -0.061 0.000 2.277 100 V HA -0.251 3.869 4.120 -0.000 0.000 0.253 100 V C 2.148 178.222 176.094 -0.032 0.000 1.067 100 V CA 2.230 64.500 62.300 -0.050 0.000 1.047 100 V CB -1.309 30.491 31.823 -0.039 0.000 0.649 100 V HN 0.942 nan 8.190 nan 0.000 0.447 101 G N -0.796 107.992 108.800 -0.020 0.000 2.726 101 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.207 101 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.207 101 G C 0.897 175.795 174.900 -0.003 0.000 1.157 101 G CA 2.026 47.122 45.100 -0.008 0.000 0.787 101 G HN 0.958 nan 8.290 nan 0.000 0.539 102 D N -1.897 118.496 120.400 -0.010 0.000 2.975 102 D HA -0.141 4.499 4.640 -0.000 0.000 0.168 102 D C 1.407 177.715 176.300 0.014 0.000 1.704 102 D CA 2.143 56.142 54.000 -0.002 0.000 1.953 102 D CB -1.734 nan 40.800 nan 0.000 1.364 102 D HN 1.847 nan 8.370 nan 0.000 0.409 103 A N -0.352 122.478 122.820 0.018 0.000 2.602 103 A HA 0.561 4.881 4.320 -0.000 0.000 0.257 103 A C 1.757 179.359 177.584 0.029 0.000 0.973 103 A CA 1.435 53.486 52.037 0.025 0.000 0.862 103 A CB -1.381 nan 19.000 nan 0.000 0.855 103 A HN 2.409 nan 8.150 nan 0.000 0.492 104 V N 2.395 122.320 119.914 0.019 0.000 3.015 104 V HA 0.075 4.195 4.120 -0.000 0.000 0.268 104 V C 0.273 176.379 176.094 0.020 0.000 1.603 104 V CA 1.695 63.998 62.300 0.004 0.000 1.542 104 V CB -0.530 nan 31.823 nan 0.000 0.867 104 V HN 1.417 nan 8.190 nan 0.000 0.507 105 F N 6.798 126.667 119.950 -0.134 0.000 2.388 105 F HA 0.773 5.300 4.527 -0.000 0.000 0.358 105 F C -0.067 175.603 175.800 -0.216 0.000 1.122 105 F CA -1.935 55.970 58.000 -0.159 0.000 1.056 105 F CB 1.179 40.116 39.000 -0.106 0.000 1.155 105 F HN 0.417 nan 8.300 nan 0.000 0.461 106 I N 9.455 129.537 120.570 -0.813 0.000 2.466 106 I HA 0.311 4.481 4.170 -0.000 0.000 0.279 106 I C -2.370 173.235 176.117 -0.852 0.000 1.033 106 I CA -1.808 58.940 61.300 -0.919 0.000 1.123 106 I CB 1.553 38.976 38.000 -0.961 0.000 1.237 106 I HN 0.397 nan 8.210 nan 0.000 0.460 107 P HA 0.359 nan 4.420 nan 0.000 0.302 107 P C -0.209 176.906 177.300 -0.310 0.000 1.307 107 P CA -0.408 62.409 63.100 -0.473 0.000 0.754 107 P CB 1.279 32.749 31.700 -0.384 0.000 1.298 108 I N -4.245 116.194 120.570 -0.218 0.000 2.970 108 I HA 0.448 4.618 4.170 -0.000 0.000 0.310 108 I C -2.413 173.389 176.117 -0.526 0.000 1.010 108 I CA -3.200 57.895 61.300 -0.342 0.000 1.228 108 I CB -0.277 37.551 38.000 -0.288 0.000 1.433 108 I HN 0.027 nan 8.210 nan 0.000 0.573 109 P HA -0.122 nan 4.420 nan 0.000 0.255 109 P C 0.253 177.215 177.300 -0.563 0.000 1.151 109 P CA 0.619 63.250 63.100 -0.781 0.000 0.767 109 P CB 0.304 31.152 31.700 -1.420 0.000 0.736 110 Q N 4.100 123.754 119.800 -0.245 0.000 2.197 110 Q HA -0.217 4.123 4.340 -0.000 0.000 0.207 110 Q C 1.548 177.530 176.000 -0.030 0.000 0.984 110 Q CA 1.809 57.551 55.803 -0.101 0.000 0.869 110 Q CB -0.382 28.350 28.738 -0.010 0.000 0.906 110 Q HN 0.655 nan 8.270 nan 0.000 0.426 111 W N 0.041 121.293 121.300 -0.080 0.000 2.465 111 W HA -0.058 4.601 4.660 -0.000 0.000 0.268 111 W C 1.154 177.666 176.519 -0.012 0.000 1.242 111 W CA 0.235 57.557 57.345 -0.039 0.000 1.248 111 W CB -0.203 29.231 29.460 -0.044 0.000 1.118 111 W HN 0.074 nan 8.180 nan 0.000 0.587 112 I N 1.232 121.349 120.570 -0.754 0.000 2.333 112 I HA -0.172 3.998 4.170 -0.000 0.000 0.246 112 I C 2.386 178.415 176.117 -0.147 0.000 1.106 112 I CA 1.090 62.060 61.300 -0.551 0.000 1.411 112 I CB -1.305 36.208 38.000 -0.812 0.000 1.082 112 I HN 0.144 nan 8.210 nan 0.000 0.420 113 L N -0.012 121.153 121.223 -0.097 0.000 2.191 113 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 113 L C 2.478 179.419 176.870 0.119 0.000 1.103 113 L CA 1.019 55.921 54.840 0.103 0.000 0.769 113 L CB -0.443 41.661 42.059 0.075 0.000 0.908 113 L HN 0.362 nan 8.230 nan 0.000 0.438 114 Q N 0.186 120.035 119.800 0.081 0.000 2.311 114 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 114 Q C 2.238 178.298 176.000 0.099 0.000 0.954 114 Q CA 0.808 56.672 55.803 0.102 0.000 0.885 114 Q CB 0.259 29.066 28.738 0.114 0.000 0.963 114 Q HN 0.566 nan 8.270 nan 0.000 0.471 115 I N -0.595 120.033 120.570 0.095 0.000 2.277 115 I HA -0.096 4.074 4.170 -0.000 0.000 0.243 115 I C 2.182 178.314 176.117 0.024 0.000 1.094 115 I CA 0.986 62.324 61.300 0.063 0.000 1.393 115 I CB -0.434 37.610 38.000 0.074 0.000 1.078 115 I HN 0.233 nan 8.210 nan 0.000 0.417 116 G N 0.049 108.856 108.800 0.011 0.000 2.535 116 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 116 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 116 G C 1.334 176.323 174.900 0.148 0.000 1.122 116 G CA 0.491 45.567 45.100 -0.039 0.000 0.769 116 G HN 0.312 nan 8.290 nan 0.000 0.549 117 D N 0.305 120.794 120.400 0.148 0.000 2.149 117 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 117 D C 2.093 178.455 176.300 0.104 0.000 0.990 117 D CA 0.933 55.017 54.000 0.140 0.000 0.839 117 D CB 0.072 40.936 40.800 0.107 0.000 0.948 117 D HN 0.400 nan 8.370 nan 0.000 0.460 118 K N -0.517 119.928 120.400 0.074 0.000 2.358 118 K HA 0.022 4.341 4.320 -0.000 0.000 0.197 118 K C 0.182 176.814 176.600 0.053 0.000 1.025 118 K CA -0.124 56.197 56.287 0.057 0.000 1.104 118 K CB 0.490 33.013 32.500 0.039 0.000 0.855 118 K HN -0.139 nan 8.250 nan 0.000 0.531 119 N N 0.670 119.402 118.700 0.053 0.000 2.750 119 N HA 0.195 4.935 4.740 -0.000 0.000 0.253 119 N C -2.585 172.961 175.510 0.060 0.000 1.408 119 N CA -1.838 51.242 53.050 0.049 0.000 0.780 119 N CB 1.478 39.966 38.487 0.003 0.000 1.191 119 N HN -0.140 nan 8.380 nan 0.000 0.511 120 P HA -0.056 nan 4.420 nan 0.000 0.219 120 P C 0.413 177.847 177.300 0.223 0.000 1.146 120 P CA 1.001 64.250 63.100 0.249 0.000 0.808 120 P CB 0.339 32.180 31.700 0.235 0.000 0.779 121 D N -0.429 120.086 120.400 0.190 0.000 2.411 121 D HA -0.106 4.534 4.640 -0.000 0.000 0.226 121 D C 1.659 178.076 176.300 0.195 0.000 0.988 121 D CA 0.730 54.885 54.000 0.259 0.000 0.938 121 D CB -0.343 40.649 40.800 0.321 0.000 0.883 121 D HN 0.392 nan 8.370 nan 0.000 0.525 122 I N -3.622 116.909 120.570 -0.066 0.000 3.059 122 I HA 0.067 4.237 4.170 -0.000 0.000 0.270 122 I C 0.443 176.358 176.117 -0.337 0.000 1.238 122 I CA 0.155 61.288 61.300 -0.278 0.000 1.478 122 I CB -0.197 37.552 38.000 -0.418 0.000 1.097 122 I HN -0.304 nan 8.210 nan 0.000 0.455 123 F N 0.080 120.064 119.950 0.057 0.000 2.403 123 F HA 0.445 4.972 4.527 -0.000 0.000 0.326 123 F C 0.097 175.966 175.800 0.116 0.000 1.081 123 F CA -1.024 57.008 58.000 0.053 0.000 1.041 123 F CB 0.491 39.560 39.000 0.116 0.000 1.234 123 F HN -0.244 nan 8.300 nan 0.000 0.503 124 Y N 0.785 121.325 120.300 0.401 0.000 2.526 124 Y HA 0.194 4.744 4.550 -0.000 0.000 0.330 124 Y C 0.375 176.462 175.900 0.313 0.000 1.156 124 Y CA 0.049 58.346 58.100 0.329 0.000 1.419 124 Y CB 0.593 39.242 38.460 0.315 0.000 1.250 124 Y HN 0.429 nan 8.280 nan 0.000 0.540 125 T N 4.704 119.557 114.554 0.497 0.000 2.841 125 T HA 0.191 4.541 4.350 -0.000 0.000 0.283 125 T C -0.367 174.586 174.700 0.422 0.000 1.000 125 T CA -1.213 61.123 62.100 0.394 0.000 0.977 125 T CB 0.849 69.925 68.868 0.348 0.000 0.979 125 T HN 0.627 nan 8.240 nan 0.000 0.446 126 N N 1.881 120.758 118.700 0.296 0.000 2.405 126 N HA 0.170 4.910 4.740 -0.000 0.000 0.269 126 N C 1.213 176.637 175.510 -0.144 0.000 1.249 126 N CA -0.922 52.240 53.050 0.187 0.000 0.974 126 N CB 0.859 39.408 38.487 0.104 0.000 1.204 126 N HN 0.735 nan 8.380 nan 0.000 0.565 127 R N -1.352 118.749 120.500 -0.665 0.000 2.189 127 R HA 0.086 4.426 4.340 -0.000 0.000 0.218 127 R C 1.519 177.589 176.300 -0.382 0.000 1.074 127 R CA 1.103 56.622 56.100 -0.968 0.000 0.991 127 R CB -0.528 29.076 30.300 -1.160 0.000 0.883 127 R HN 0.541 nan 8.270 nan 0.000 0.457 128 A N 0.894 123.586 122.820 -0.212 0.000 2.066 128 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 128 A C 1.712 179.273 177.584 -0.038 0.000 1.157 128 A CA 0.930 52.910 52.037 -0.096 0.000 0.670 128 A CB -0.385 18.593 19.000 -0.036 0.000 0.804 128 A HN 0.669 nan 8.150 nan 0.000 0.453 129 G N -1.025 107.768 108.800 -0.012 0.000 2.135 129 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.183 129 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.183 129 G C -0.425 174.531 174.900 0.093 0.000 1.004 129 G CA -0.074 45.058 45.100 0.053 0.000 0.677 129 G HN 0.418 nan 8.290 nan 0.000 0.512 130 N N 0.745 119.510 118.700 0.108 0.000 2.530 130 N HA 0.544 5.283 4.740 -0.000 0.000 0.277 130 N C 0.312 175.915 175.510 0.155 0.000 1.168 130 N CA -0.010 53.112 53.050 0.121 0.000 0.979 130 N CB 0.649 39.219 38.487 0.139 0.000 1.141 130 N HN 0.243 nan 8.380 nan 0.000 0.459 131 R N 1.480 122.051 120.500 0.117 0.000 2.387 131 R HA 0.312 4.652 4.340 -0.000 0.000 0.314 131 R C -0.402 175.897 176.300 -0.002 0.000 0.958 131 R CA -0.683 55.493 56.100 0.126 0.000 0.846 131 R CB 0.753 31.134 30.300 0.135 0.000 1.147 131 R HN 0.489 nan 8.270 nan 0.000 0.447 132 N N 2.131 120.870 118.700 0.065 0.000 2.422 132 N HA 0.077 4.817 4.740 -0.000 0.000 0.266 132 N C -0.197 175.189 175.510 -0.206 0.000 1.007 132 N CA -0.108 52.946 53.050 0.006 0.000 0.941 132 N CB 1.171 39.765 38.487 0.177 0.000 1.115 132 N HN 0.442 nan 8.380 nan 0.000 0.492 133 Q N 1.695 121.267 119.800 -0.381 0.000 2.201 133 Q HA 0.048 4.388 4.340 -0.000 0.000 0.217 133 Q C 0.529 176.518 176.000 -0.018 0.000 0.860 133 Q CA -0.009 55.446 55.803 -0.579 0.000 0.984 133 Q CB 0.381 28.739 28.738 -0.633 0.000 1.095 133 Q HN 0.732 nan 8.270 nan 0.000 0.477 134 E N -0.429 119.855 120.200 0.139 0.000 2.447 134 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 134 E C -0.191 176.674 176.600 0.442 0.000 1.028 134 E CA 0.208 56.761 56.400 0.255 0.000 0.876 134 E CB 0.346 30.184 29.700 0.230 0.000 0.885 134 E HN 0.190 nan 8.360 nan 0.000 0.500 135 Y N 0.132 120.618 120.300 0.310 0.000 2.604 135 Y HA 0.339 4.889 4.550 -0.000 0.000 0.331 135 Y C -1.768 174.298 175.900 0.277 0.000 1.158 135 Y CA -1.226 57.068 58.100 0.323 0.000 1.056 135 Y CB 1.347 39.988 38.460 0.301 0.000 1.330 135 Y HN -0.117 nan 8.280 nan 0.000 0.457 136 L N 4.097 124.924 121.223 -0.660 0.000 2.319 136 L HA 0.318 4.658 4.340 -0.000 0.000 0.280 136 L C 0.551 177.008 176.870 -0.689 0.000 1.099 136 L CA -0.462 54.050 54.840 -0.548 0.000 0.828 136 L CB 1.157 42.906 42.059 -0.517 0.000 1.150 136 L HN 0.715 nan 8.230 nan 0.000 0.442 137 S N 2.733 118.043 115.700 -0.649 0.000 2.558 137 S HA -0.001 4.469 4.470 -0.000 0.000 0.293 137 S C 1.205 175.496 174.600 -0.516 0.000 1.292 137 S CA -0.717 56.861 58.200 -1.036 0.000 1.063 137 S CB 0.541 63.401 63.200 -0.568 0.000 0.831 137 S HN 0.514 nan 8.310 nan 0.000 0.499 138 L N 4.629 125.617 121.223 -0.392 0.000 2.353 138 L HA 0.255 4.595 4.340 -0.000 0.000 0.220 138 L C 2.154 179.013 176.870 -0.019 0.000 1.133 138 L CA 1.810 56.559 54.840 -0.152 0.000 0.798 138 L CB -1.316 40.592 42.059 -0.251 0.000 0.922 138 L HN 0.696 nan 8.230 nan 0.000 0.445 139 G N -0.578 108.220 108.800 -0.003 0.000 2.653 139 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.212 139 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.212 139 G C 1.116 175.996 174.900 -0.032 0.000 1.138 139 G CA 0.772 45.928 45.100 0.093 0.000 0.782 139 G HN 0.338 nan 8.290 nan 0.000 0.535 140 V N -0.219 119.610 119.914 -0.141 0.000 3.078 140 V HA 0.159 4.279 4.120 -0.000 0.000 0.344 140 V C 1.049 177.085 176.094 -0.097 0.000 1.409 140 V CA -0.066 62.101 62.300 -0.222 0.000 1.146 140 V CB 0.338 31.972 31.823 -0.314 0.000 1.126 140 V HN 0.098 nan 8.190 nan 0.000 0.513 141 D N 1.308 121.685 120.400 -0.039 0.000 2.117 141 D HA -0.076 4.564 4.640 -0.000 0.000 0.197 141 D C 0.976 177.256 176.300 -0.032 0.000 0.987 141 D CA 1.367 55.355 54.000 -0.020 0.000 0.829 141 D CB 0.070 40.917 40.800 0.079 0.000 0.961 141 D HN 0.470 nan 8.370 nan 0.000 0.460 142 N N 1.314 120.012 118.700 -0.003 0.000 2.546 142 N HA 0.063 4.802 4.740 -0.000 0.000 0.286 142 N C -0.439 175.075 175.510 0.007 0.000 1.259 142 N CA 0.028 53.083 53.050 0.008 0.000 0.939 142 N CB 1.011 39.517 38.487 0.031 0.000 1.243 142 N HN 0.174 nan 8.380 nan 0.000 0.511 143 Q N 0.378 120.167 119.800 -0.019 0.000 2.340 143 Q HA 0.299 4.639 4.340 -0.000 0.000 0.268 143 Q C -0.215 175.765 176.000 -0.034 0.000 1.031 143 Q CA -0.417 55.359 55.803 -0.044 0.000 0.804 143 Q CB 2.559 31.193 28.738 -0.173 0.000 1.286 143 Q HN 0.090 nan 8.270 nan 0.000 0.448 144 R N 2.552 123.031 120.500 -0.035 0.000 2.419 144 R HA 0.192 4.532 4.340 -0.000 0.000 0.305 144 R C 0.238 176.450 176.300 -0.146 0.000 1.242 144 R CA 0.139 56.217 56.100 -0.037 0.000 1.105 144 R CB 0.136 30.430 30.300 -0.010 0.000 1.116 144 R HN 0.327 nan 8.270 nan 0.000 0.523 145 L N 2.827 123.847 121.223 -0.339 0.000 2.993 145 L HA 0.252 4.592 4.340 -0.000 0.000 0.264 145 L C -0.475 175.888 176.870 -0.844 0.000 1.154 145 L CA 0.346 54.783 54.840 -0.672 0.000 0.972 145 L CB 0.525 41.971 42.059 -1.021 0.000 1.373 145 L HN 0.374 nan 8.230 nan 0.000 0.564 146 F N 0.632 120.589 119.950 0.012 0.000 2.344 146 F HA 0.393 4.920 4.527 -0.000 0.000 0.344 146 F C 0.557 176.432 175.800 0.125 0.000 1.140 146 F CA -0.866 57.193 58.000 0.098 0.000 1.256 146 F CB -0.173 38.896 39.000 0.115 0.000 1.573 146 F HN 0.009 nan 8.300 nan 0.000 0.547 147 Q N 1.231 121.112 119.800 0.136 0.000 2.435 147 Q HA -0.261 4.079 4.340 -0.000 0.000 0.312 147 Q C 1.333 177.376 176.000 0.071 0.000 1.333 147 Q CA 0.838 56.690 55.803 0.082 0.000 0.883 147 Q CB -1.388 27.388 28.738 0.064 0.000 1.170 147 Q HN 1.144 nan 8.270 nan 0.000 0.443 148 G N -0.797 108.037 108.800 0.056 0.000 2.358 148 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.224 148 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.224 148 G C 0.211 175.156 174.900 0.076 0.000 1.073 148 G CA 0.122 45.252 45.100 0.050 0.000 0.635 148 G HN 0.315 nan 8.290 nan 0.000 0.509 149 R N 0.801 121.381 120.500 0.132 0.000 2.528 149 R HA 0.604 4.944 4.340 -0.000 0.000 0.271 149 R C -0.035 176.377 176.300 0.187 0.000 1.056 149 R CA 0.182 56.367 56.100 0.142 0.000 1.117 149 R CB 1.055 31.455 30.300 0.167 0.000 1.085 149 R HN 0.181 nan 8.270 nan 0.000 0.530 150 T N -0.012 114.604 114.554 0.102 0.000 2.927 150 T HA 0.324 4.674 4.350 -0.000 0.000 0.281 150 T C 1.310 175.968 174.700 -0.070 0.000 0.998 150 T CA 0.047 62.197 62.100 0.084 0.000 1.019 150 T CB 1.545 70.418 68.868 0.009 0.000 1.061 150 T HN 0.650 nan 8.240 nan 0.000 0.518 151 A N 2.228 124.939 122.820 -0.182 0.000 1.873 151 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 151 A C 2.274 179.290 177.584 -0.948 0.000 1.193 151 A CA 1.733 53.373 52.037 -0.663 0.000 0.629 151 A CB -1.067 17.606 19.000 -0.545 0.000 0.826 151 A HN 0.812 nan 8.150 nan 0.000 0.447 152 L N -0.794 120.137 121.223 -0.486 0.000 2.042 152 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 152 L C 2.603 179.330 176.870 -0.238 0.000 1.076 152 L CA 1.801 56.459 54.840 -0.303 0.000 0.749 152 L CB -0.640 41.356 42.059 -0.104 0.000 0.893 152 L HN 0.501 nan 8.230 nan 0.000 0.432 153 E N -0.383 119.712 120.200 -0.174 0.000 2.150 153 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 153 E C 2.303 178.871 176.600 -0.054 0.000 0.985 153 E CA 1.044 57.405 56.400 -0.065 0.000 0.814 153 E CB -0.090 29.605 29.700 -0.008 0.000 0.752 153 E HN 0.508 nan 8.360 nan 0.000 0.466 154 M N -0.161 119.326 119.600 -0.188 0.000 2.175 154 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 154 M C 1.733 177.985 176.300 -0.080 0.000 1.063 154 M CA 1.203 56.448 55.300 -0.091 0.000 1.119 154 M CB -0.212 32.268 32.600 -0.200 0.000 1.377 154 M HN 0.153 nan 8.290 nan 0.000 0.415 155 Y N 0.711 120.813 120.300 -0.330 0.000 2.163 155 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 155 Y C 2.583 178.470 175.900 -0.021 0.000 1.136 155 Y CA 1.527 59.331 58.100 -0.494 0.000 1.147 155 Y CB -1.229 36.737 38.460 -0.823 0.000 0.987 155 Y HN 0.317 nan 8.280 nan 0.000 0.509 156 R N 0.274 120.853 120.500 0.132 0.000 2.066 156 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 156 R C 1.444 177.840 176.300 0.159 0.000 1.131 156 R CA 1.952 58.127 56.100 0.125 0.000 0.955 156 R CB -0.791 29.541 30.300 0.053 0.000 0.851 156 R HN 0.076 nan 8.270 nan 0.000 0.432 157 D N 0.037 120.551 120.400 0.190 0.000 2.182 157 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 157 D C 1.490 177.951 176.300 0.269 0.000 0.986 157 D CA 1.128 55.269 54.000 0.235 0.000 0.847 157 D CB -0.249 40.746 40.800 0.325 0.000 0.942 157 D HN 0.233 nan 8.370 nan 0.000 0.467 158 F N 0.541 120.638 119.950 0.245 0.000 2.098 158 F HA -0.053 4.474 4.527 -0.000 0.000 0.294 158 F C 2.333 178.262 175.800 0.215 0.000 1.107 158 F CA 1.162 59.323 58.000 0.269 0.000 1.234 158 F CB -0.166 39.072 39.000 0.396 0.000 1.002 158 F HN -0.160 nan 8.300 nan 0.000 0.472 159 M N -0.290 119.546 119.600 0.394 0.000 2.279 159 M HA -0.203 4.277 4.480 -0.000 0.000 0.264 159 M C 2.107 178.434 176.300 0.045 0.000 1.062 159 M CA 1.656 57.118 55.300 0.270 0.000 1.099 159 M CB -0.485 32.310 32.600 0.324 0.000 1.394 159 M HN 0.252 nan 8.290 nan 0.000 0.426 160 E N -0.459 119.728 120.200 -0.023 0.000 2.107 160 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 160 E C 2.074 178.587 176.600 -0.144 0.000 0.982 160 E CA 1.126 57.456 56.400 -0.118 0.000 0.809 160 E CB 0.145 29.810 29.700 -0.058 0.000 0.756 160 E HN 0.315 nan 8.360 nan 0.000 0.459 161 S N -0.457 115.138 115.700 -0.175 0.000 2.383 161 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 161 S C 1.672 176.030 174.600 -0.403 0.000 1.026 161 S CA 0.754 58.801 58.200 -0.256 0.000 0.981 161 S CB -0.334 62.513 63.200 -0.588 0.000 0.818 161 S HN 0.423 nan 8.310 nan 0.000 0.472 162 F N 2.593 122.178 119.950 -0.609 0.000 2.186 162 F HA 0.131 4.658 4.527 -0.000 0.000 0.299 162 F C 2.482 178.006 175.800 -0.460 0.000 1.090 162 F CA 1.359 58.827 58.000 -0.888 0.000 1.307 162 F CB -0.307 38.348 39.000 -0.576 0.000 1.019 162 F HN 0.098 nan 8.300 nan 0.000 0.489 163 R N 0.580 120.980 120.500 -0.167 0.000 2.075 163 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 163 R C 1.619 177.765 176.300 -0.256 0.000 1.126 163 R CA 2.019 58.030 56.100 -0.148 0.000 0.963 163 R CB -0.712 29.427 30.300 -0.270 0.000 0.858 163 R HN 0.292 nan 8.270 nan 0.000 0.435 164 D N 0.032 120.270 120.400 -0.270 0.000 2.183 164 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 164 D C 1.386 177.516 176.300 -0.283 0.000 0.969 164 D CA 0.758 54.624 54.000 -0.224 0.000 0.842 164 D CB -0.260 40.447 40.800 -0.155 0.000 0.957 164 D HN 0.263 nan 8.370 nan 0.000 0.484 165 N N -0.007 118.424 118.700 -0.447 0.000 2.446 165 N HA 0.001 4.741 4.740 -0.000 0.000 0.179 165 N C 0.945 176.155 175.510 -0.501 0.000 1.054 165 N CA 0.474 53.234 53.050 -0.483 0.000 0.905 165 N CB 0.322 38.354 38.487 -0.759 0.000 0.973 165 N HN 0.132 nan 8.380 nan 0.000 0.448 166 M N -0.450 118.799 119.600 -0.584 0.000 2.496 166 M HA 0.280 4.759 4.480 -0.000 0.000 0.330 166 M C 1.510 177.656 176.300 -0.256 0.000 1.133 166 M CA -0.393 54.651 55.300 -0.426 0.000 0.964 166 M CB -0.281 31.880 32.600 -0.730 0.000 1.401 166 M HN -0.086 nan 8.290 nan 0.000 0.520 167 A N 1.745 124.418 122.820 -0.245 0.000 1.948 167 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 167 A C 1.815 179.322 177.584 -0.128 0.000 1.177 167 A CA 2.455 54.402 52.037 -0.149 0.000 0.636 167 A CB -0.586 18.331 19.000 -0.138 0.000 0.815 167 A HN 0.595 nan 8.150 nan 0.000 0.449 168 D N -0.749 119.519 120.400 -0.219 0.000 2.097 168 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 168 D C 1.807 178.027 176.300 -0.134 0.000 0.984 168 D CA 1.196 55.060 54.000 -0.226 0.000 0.826 168 D CB -0.999 39.583 40.800 -0.363 0.000 0.973 168 D HN 0.555 nan 8.370 nan 0.000 0.460 169 F N 0.675 120.601 119.950 -0.039 0.000 2.171 169 F HA -0.024 4.503 4.527 -0.000 0.000 0.300 169 F C 2.609 178.388 175.800 -0.035 0.000 1.090 169 F CA 0.344 58.330 58.000 -0.024 0.000 1.293 169 F CB -0.140 38.857 39.000 -0.005 0.000 1.013 169 F HN -0.119 nan 8.300 nan 0.000 0.486 170 L N -0.301 120.998 121.223 0.128 0.000 2.093 170 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 170 L C 2.456 179.357 176.870 0.052 0.000 1.085 170 L CA 0.976 55.862 54.840 0.077 0.000 0.755 170 L CB -0.525 41.575 42.059 0.069 0.000 0.904 170 L HN -0.002 nan 8.230 nan 0.000 0.435 171 K N 0.435 120.851 120.400 0.026 0.000 2.002 171 K HA -0.094 4.226 4.320 -0.000 0.000 0.209 171 K C 2.213 178.828 176.600 0.025 0.000 1.048 171 K CA 1.538 57.833 56.287 0.014 0.000 0.930 171 K CB -0.560 31.933 32.500 -0.012 0.000 0.714 171 K HN 0.246 nan 8.250 nan 0.000 0.438 172 A N 0.326 123.170 122.820 0.040 0.000 2.024 172 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 172 A C 1.556 179.170 177.584 0.048 0.000 1.164 172 A CA 2.048 54.115 52.037 0.051 0.000 0.643 172 A CB -0.580 18.474 19.000 0.090 0.000 0.806 172 A HN 0.497 nan 8.150 nan 0.000 0.451 173 G N -1.448 107.383 108.800 0.053 0.000 2.131 173 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.223 173 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.223 173 G C 0.323 175.241 174.900 0.029 0.000 0.990 173 G CA 0.579 45.700 45.100 0.035 0.000 0.671 173 G HN 0.458 nan 8.290 nan 0.000 0.521 174 D N -0.023 120.403 120.400 0.043 0.000 2.149 174 D HA 0.033 4.673 4.640 -0.000 0.000 0.201 174 D C 1.529 177.783 176.300 -0.076 0.000 0.972 174 D CA 0.607 54.602 54.000 -0.008 0.000 0.835 174 D CB 0.415 41.212 40.800 -0.006 0.000 0.966 174 D HN 0.527 nan 8.370 nan 0.000 0.476 175 I N 1.715 122.249 120.570 -0.059 0.000 2.322 175 I HA 0.000 4.170 4.170 -0.000 0.000 0.292 175 I C 1.135 177.212 176.117 -0.067 0.000 1.060 175 I CA -0.314 60.926 61.300 -0.100 0.000 1.309 175 I CB 2.033 40.014 38.000 -0.032 0.000 1.415 175 I HN -0.267 nan 8.210 nan 0.000 0.492 176 V N 4.535 124.394 119.914 -0.091 0.000 3.085 176 V HA 0.091 4.211 4.120 -0.000 0.000 0.245 176 V C -0.051 175.977 176.094 -0.111 0.000 1.114 176 V CA 1.060 63.321 62.300 -0.065 0.000 1.108 176 V CB -0.023 31.797 31.823 -0.005 0.000 0.798 176 V HN 0.687 nan 8.190 nan 0.000 0.471 177 D N -0.415 119.878 120.400 -0.179 0.000 2.671 177 D HA 0.509 5.149 4.640 -0.000 0.000 0.232 177 D C -0.891 175.261 176.300 -0.246 0.000 1.114 177 D CA -0.245 53.632 54.000 -0.205 0.000 0.858 177 D CB 2.283 42.940 40.800 -0.239 0.000 1.544 177 D HN -0.150 nan 8.370 nan 0.000 0.471 178 I N 1.623 122.024 120.570 -0.282 0.000 2.437 178 I HA 0.195 4.365 4.170 -0.000 0.000 0.279 178 I C -0.108 175.853 176.117 -0.260 0.000 1.028 178 I CA -0.529 60.556 61.300 -0.358 0.000 1.142 178 I CB 1.159 38.789 38.000 -0.617 0.000 1.266 178 I HN 0.309 nan 8.210 nan 0.000 0.461 179 E N 5.168 125.228 120.200 -0.232 0.000 2.044 179 E HA 0.315 4.665 4.350 -0.000 0.000 0.282 179 E C -0.765 175.734 176.600 -0.169 0.000 1.031 179 E CA -0.296 55.999 56.400 -0.176 0.000 0.824 179 E CB 1.018 30.618 29.700 -0.167 0.000 1.076 179 E HN 0.319 nan 8.360 nan 0.000 0.395 180 V N 4.542 124.386 119.914 -0.117 0.000 2.389 180 V HA 0.309 4.428 4.120 -0.000 0.000 0.264 180 V C 0.945 177.005 176.094 -0.058 0.000 1.049 180 V CA -0.436 61.826 62.300 -0.065 0.000 0.932 180 V CB 1.054 32.862 31.823 -0.026 0.000 1.011 180 V HN 0.772 nan 8.190 nan 0.000 0.475 181 G N 3.122 111.902 108.800 -0.033 0.000 2.365 181 G HA2 0.223 4.183 3.960 -0.000 0.000 0.249 181 G HA3 0.223 4.183 3.960 -0.000 0.000 0.249 181 G C 0.451 175.335 174.900 -0.026 0.000 1.288 181 G CA -0.200 44.882 45.100 -0.030 0.000 0.887 181 G HN 0.867 nan 8.290 nan 0.000 0.524 182 C N 2.144 121.350 119.300 -0.156 0.000 3.255 182 C HA 0.720 5.180 4.460 -0.000 0.000 0.282 182 C C 1.318 176.052 174.990 -0.427 0.000 1.441 182 C CA 0.174 59.109 59.018 -0.138 0.000 1.785 182 C CB -1.020 26.674 27.740 -0.077 0.000 2.583 182 C HN 1.188 nan 8.230 nan 0.000 0.615 183 G N 0.116 108.356 108.800 -0.932 0.000 2.367 183 G HA2 0.484 4.444 3.960 -0.000 0.000 0.272 183 G HA3 0.484 4.444 3.960 -0.000 0.000 0.272 183 G C -1.158 173.280 174.900 -0.770 0.000 1.271 183 G CA 0.020 44.236 45.100 -1.472 0.000 0.893 183 G HN 0.457 nan 8.290 nan 0.000 0.485 184 A N -0.628 121.952 122.820 -0.399 0.000 2.546 184 A HA 0.618 4.938 4.320 -0.000 0.000 0.243 184 A C 1.626 179.034 177.584 -0.294 0.000 1.063 184 A CA 1.950 53.882 52.037 -0.175 0.000 0.757 184 A CB -0.437 18.506 19.000 -0.094 0.000 0.991 184 A HN 2.729 nan 8.150 nan 0.000 0.503 185 A N 1.641 124.272 122.820 -0.316 0.000 2.945 185 A HA 0.167 4.487 4.320 -0.000 0.000 0.263 185 A C 2.117 179.312 177.584 -0.649 0.000 1.293 185 A CA 1.688 53.538 52.037 -0.311 0.000 0.944 185 A CB -1.863 17.088 19.000 -0.082 0.000 1.093 185 A HN 3.137 nan 8.150 nan 0.000 0.786 186 G N -1.868 106.294 108.800 -1.063 0.000 2.147 186 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.244 186 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.244 186 G C -0.343 174.367 174.900 -0.316 0.000 1.005 186 G CA 0.911 45.636 45.100 -0.625 0.000 0.713 186 G HN 1.377 nan 8.290 nan 0.000 0.515 187 E N -0.831 119.198 120.200 -0.286 0.000 2.199 187 E HA 0.511 4.861 4.350 -0.000 0.000 0.269 187 E C -0.086 176.434 176.600 -0.133 0.000 0.899 187 E CA -1.263 55.049 56.400 -0.146 0.000 0.772 187 E CB 2.020 31.679 29.700 -0.068 0.000 1.155 187 E HN 0.154 nan 8.360 nan 0.000 0.408 188 L N 4.951 126.150 121.223 -0.040 0.000 2.574 188 L HA 0.078 4.418 4.340 -0.000 0.000 0.281 188 L C -0.443 176.419 176.870 -0.014 0.000 1.212 188 L CA 0.917 55.742 54.840 -0.024 0.000 1.082 188 L CB -1.182 40.910 42.059 0.055 0.000 1.362 188 L HN 0.566 nan 8.230 nan 0.000 0.451 189 R N 1.967 122.342 120.500 -0.209 0.000 2.752 189 R HA 0.411 4.751 4.340 -0.000 0.000 0.277 189 R C -1.457 174.552 176.300 -0.485 0.000 1.024 189 R CA -1.064 54.844 56.100 -0.319 0.000 0.866 189 R CB 0.464 30.756 30.300 -0.014 0.000 1.278 189 R HN 0.110 nan 8.270 nan 0.000 0.473 190 Y N 0.430 120.492 120.300 -0.396 0.000 2.403 190 Y HA 0.406 4.956 4.550 -0.000 0.000 0.323 190 Y C -1.690 173.980 175.900 -0.385 0.000 1.226 190 Y CA -2.233 55.551 58.100 -0.527 0.000 1.235 190 Y CB 1.438 39.631 38.460 -0.444 0.000 1.248 190 Y HN 0.381 nan 8.280 nan 0.000 0.489 191 P HA 0.052 nan 4.420 nan 0.000 0.231 191 P C -0.071 177.161 177.300 -0.113 0.000 1.811 191 P CA 0.001 62.991 63.100 -0.184 0.000 1.051 191 P CB 0.092 31.776 31.700 -0.028 0.000 1.951 192 S N 0.508 116.141 115.700 -0.112 0.000 2.496 192 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 192 S C 0.707 175.381 174.600 0.123 0.000 0.996 192 S CA 0.042 58.289 58.200 0.078 0.000 0.927 192 S CB -0.919 62.373 63.200 0.153 0.000 0.774 192 S HN 0.441 nan 8.310 nan 0.000 0.524 193 Y N 0.334 120.501 120.300 -0.221 0.000 2.470 193 Y HA 0.588 5.138 4.550 -0.000 0.000 0.352 193 Y C -3.100 172.471 175.900 -0.548 0.000 0.967 193 Y CA -3.203 54.453 58.100 -0.741 0.000 1.121 193 Y CB -0.022 37.533 38.460 -1.508 0.000 1.149 193 Y HN -0.007 nan 8.280 nan 0.000 0.641 194 P HA 0.026 nan 4.420 nan 0.000 0.275 194 P C 0.356 177.621 177.300 -0.059 0.000 1.276 194 P CA 0.276 63.254 63.100 -0.203 0.000 0.782 194 P CB 1.831 33.425 31.700 -0.177 0.000 0.851 195 E N 2.735 122.977 120.200 0.069 0.000 2.268 195 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 195 E C 1.306 177.933 176.600 0.044 0.000 0.995 195 E CA 1.443 57.942 56.400 0.166 0.000 0.836 195 E CB 0.031 29.846 29.700 0.192 0.000 0.763 195 E HN 0.513 nan 8.360 nan 0.000 0.491 196 T N -2.072 112.479 114.554 -0.006 0.000 3.035 196 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 196 T C 1.483 176.155 174.700 -0.047 0.000 1.109 196 T CA 0.628 62.713 62.100 -0.025 0.000 1.119 196 T CB 0.060 68.912 68.868 -0.027 0.000 0.900 196 T HN 0.130 nan 8.240 nan 0.000 0.503 197 Q N 0.413 120.150 119.800 -0.104 0.000 2.188 197 Q HA 0.421 4.761 4.340 -0.000 0.000 0.212 197 Q C 1.081 176.998 176.000 -0.139 0.000 0.846 197 Q CA 0.060 55.785 55.803 -0.131 0.000 0.989 197 Q CB 0.761 29.378 28.738 -0.202 0.000 1.114 197 Q HN 0.711 nan 8.270 nan 0.000 0.488 198 G N 0.823 109.578 108.800 -0.075 0.000 2.144 198 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 198 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 198 G C -0.536 174.368 174.900 0.007 0.000 0.988 198 G CA -0.328 44.758 45.100 -0.022 0.000 0.659 198 G HN 0.434 nan 8.290 nan 0.000 0.522 199 W N 1.332 122.522 121.300 -0.183 0.000 2.238 199 W HA 0.547 5.207 4.660 -0.000 0.000 0.321 199 W C 0.347 176.860 176.519 -0.010 0.000 1.293 199 W CA 0.048 57.347 57.345 -0.078 0.000 1.204 199 W CB 1.182 30.596 29.460 -0.077 0.000 1.167 199 W HN 0.724 nan 8.180 nan 0.000 0.553 200 V N 5.203 124.460 119.914 -1.095 0.000 2.668 200 V HA 0.422 4.542 4.120 -0.000 0.000 0.304 200 V C -0.607 174.562 176.094 -1.542 0.000 1.071 200 V CA -1.504 60.135 62.300 -1.101 0.000 0.894 200 V CB 0.672 32.208 31.823 -0.480 0.000 1.008 200 V HN 0.585 nan 8.190 nan 0.000 0.425 201 F N 7.656 126.576 119.950 -1.717 0.000 2.635 201 F HA 0.432 4.959 4.527 -0.000 0.000 0.379 201 F C -1.473 173.938 175.800 -0.649 0.000 1.094 201 F CA -0.682 56.644 58.000 -1.124 0.000 1.300 201 F CB 0.866 39.436 39.000 -0.716 0.000 1.035 201 F HN 0.570 nan 8.300 nan 0.000 0.581 202 P HA 0.235 nan 4.420 nan 0.000 0.253 202 P C -0.089 177.110 177.300 -0.169 0.000 1.872 202 P CA -0.212 62.126 63.100 -1.271 0.000 1.148 202 P CB 0.158 30.791 31.700 -1.778 0.000 1.753 203 G N 1.414 110.170 108.800 -0.073 0.000 2.562 203 G HA2 0.038 3.998 3.960 -0.000 0.000 0.233 203 G HA3 0.038 3.998 3.960 -0.000 0.000 0.233 203 G C 1.245 176.546 174.900 0.668 0.000 1.266 203 G CA -0.484 44.795 45.100 0.299 0.000 0.852 203 G HN 0.355 nan 8.290 nan 0.000 0.581 204 I N 0.271 121.053 120.570 0.352 0.000 2.493 204 I HA 0.284 4.454 4.170 -0.000 0.000 0.254 204 I C 1.269 177.481 176.117 0.158 0.000 1.160 204 I CA 0.724 62.092 61.300 0.112 0.000 1.445 204 I CB -0.822 36.908 38.000 -0.450 0.000 1.086 204 I HN 1.006 nan 8.210 nan 0.000 0.433 205 G N 1.001 109.973 108.800 0.287 0.000 2.549 205 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.404 205 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.404 205 G C -0.928 173.948 174.900 -0.040 0.000 1.292 205 G CA -0.442 44.823 45.100 0.274 0.000 0.935 205 G HN 0.499 nan 8.290 nan 0.000 0.512 206 E N -1.216 118.921 120.200 -0.105 0.000 2.356 206 E HA 0.541 4.891 4.350 -0.000 0.000 0.275 206 E C -0.716 175.761 176.600 -0.205 0.000 0.904 206 E CA -0.809 55.401 56.400 -0.316 0.000 0.757 206 E CB 1.856 31.205 29.700 -0.584 0.000 1.232 206 E HN 0.368 nan 8.360 nan 0.000 0.442 207 F N 1.258 121.172 119.950 -0.060 0.000 2.506 207 F HA 0.059 4.585 4.527 -0.000 0.000 0.351 207 F C 1.209 177.027 175.800 0.030 0.000 1.136 207 F CA 0.162 58.083 58.000 -0.132 0.000 1.298 207 F CB 0.588 39.397 39.000 -0.318 0.000 1.145 207 F HN 0.309 nan 8.300 nan 0.000 0.593 208 Q N 2.111 122.016 119.800 0.176 0.000 2.490 208 Q HA 0.228 4.568 4.340 -0.000 0.000 0.397 208 Q C -0.416 175.709 176.000 0.207 0.000 0.937 208 Q CA -0.197 55.724 55.803 0.196 0.000 1.108 208 Q CB 0.370 29.144 28.738 0.060 0.000 1.336 208 Q HN 0.690 nan 8.270 nan 0.000 0.410 209 C N -1.377 117.948 119.300 0.042 0.000 2.741 209 C HA 0.450 4.910 4.460 -0.000 0.000 0.267 209 C C 0.391 175.255 174.990 -0.210 0.000 1.549 209 C CA -0.624 58.401 59.018 0.013 0.000 1.772 209 C CB -1.488 26.308 27.740 0.094 0.000 2.962 209 C HN 0.448 nan 8.230 nan 0.000 0.514 210 Y N 1.930 122.351 120.300 0.202 0.000 2.468 210 Y HA 0.180 4.730 4.550 -0.000 0.000 0.268 210 Y C 1.027 177.033 175.900 0.177 0.000 1.177 210 Y CA -0.470 57.719 58.100 0.147 0.000 1.265 210 Y CB -0.432 38.079 38.460 0.085 0.000 1.103 210 Y HN 0.548 nan 8.280 nan 0.000 0.522 211 D N -0.006 120.586 120.400 0.319 0.000 2.357 211 D HA 0.021 4.661 4.640 -0.000 0.000 0.242 211 D C 1.262 177.696 176.300 0.224 0.000 1.153 211 D CA -0.460 53.714 54.000 0.290 0.000 0.918 211 D CB 0.919 41.916 40.800 0.328 0.000 1.181 211 D HN 0.280 nan 8.370 nan 0.000 0.435 212 K N 0.606 121.081 120.400 0.124 0.000 2.063 212 K HA -0.284 4.036 4.320 -0.000 0.000 0.208 212 K C 1.482 178.047 176.600 -0.060 0.000 1.048 212 K CA 1.175 57.443 56.287 -0.032 0.000 0.928 212 K CB -0.658 31.718 32.500 -0.208 0.000 0.713 212 K HN 0.552 nan 8.250 nan 0.000 0.442 213 Y N 1.163 121.536 120.300 0.121 0.000 2.224 213 Y HA -0.073 4.477 4.550 -0.000 0.000 0.289 213 Y C 2.540 178.553 175.900 0.188 0.000 1.146 213 Y CA 1.382 59.558 58.100 0.126 0.000 1.182 213 Y CB -0.309 38.207 38.460 0.095 0.000 0.983 213 Y HN -0.004 nan 8.280 nan 0.000 0.524 214 M N -1.105 118.720 119.600 0.375 0.000 2.156 214 M HA -0.171 4.309 4.480 -0.000 0.000 0.264 214 M C 2.109 178.667 176.300 0.430 0.000 1.067 214 M CA 1.044 56.603 55.300 0.431 0.000 1.131 214 M CB -0.459 32.403 32.600 0.436 0.000 1.368 214 M HN 0.123 nan 8.290 nan 0.000 0.416 215 V N 0.826 120.908 119.914 0.280 0.000 2.252 215 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 215 V C 2.680 178.905 176.094 0.219 0.000 1.056 215 V CA 2.191 64.622 62.300 0.219 0.000 1.022 215 V CB -1.425 30.486 31.823 0.146 0.000 0.641 215 V HN 0.533 nan 8.190 nan 0.000 0.445 216 A N -0.146 122.771 122.820 0.162 0.000 1.884 216 A HA -0.375 3.945 4.320 -0.000 0.000 0.219 216 A C 2.224 179.898 177.584 0.150 0.000 1.197 216 A CA 2.327 54.434 52.037 0.117 0.000 0.637 216 A CB -0.902 18.149 19.000 0.085 0.000 0.827 216 A HN 0.625 nan 8.150 nan 0.000 0.450 217 D N -1.332 119.223 120.400 0.257 0.000 2.116 217 D HA -0.215 4.425 4.640 -0.000 0.000 0.193 217 D C 1.836 178.299 176.300 0.272 0.000 0.998 217 D CA 1.607 55.810 54.000 0.339 0.000 0.836 217 D CB -0.381 40.737 40.800 0.530 0.000 0.951 217 D HN 0.759 nan 8.370 nan 0.000 0.449 218 W N 1.278 122.548 121.300 -0.050 0.000 2.374 218 W HA -0.167 4.493 4.660 -0.000 0.000 0.288 218 W C 1.702 178.056 176.519 -0.275 0.000 1.218 218 W CA 0.741 57.735 57.345 -0.585 0.000 1.245 218 W CB -0.023 28.927 29.460 -0.850 0.000 1.126 218 W HN -0.103 nan 8.180 nan 0.000 0.545 219 K N 0.834 121.086 120.400 -0.245 0.000 2.062 219 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 219 K C 2.020 178.465 176.600 -0.258 0.000 1.051 219 K CA 1.916 58.028 56.287 -0.292 0.000 0.941 219 K CB -0.857 31.591 32.500 -0.086 0.000 0.719 219 K HN 0.263 nan 8.250 nan 0.000 0.440 220 E N -0.276 119.848 120.200 -0.127 0.000 2.077 220 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 220 E C 1.729 178.269 176.600 -0.099 0.000 0.989 220 E CA 1.141 57.496 56.400 -0.074 0.000 0.800 220 E CB -0.057 29.652 29.700 0.015 0.000 0.746 220 E HN 0.273 nan 8.360 nan 0.000 0.452 221 A N 0.669 123.423 122.820 -0.111 0.000 1.898 221 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 221 A C 2.353 179.843 177.584 -0.157 0.000 1.181 221 A CA 1.162 53.175 52.037 -0.039 0.000 0.620 221 A CB -0.635 18.403 19.000 0.063 0.000 0.819 221 A HN 0.272 nan 8.150 nan 0.000 0.442 222 V N -0.244 119.363 119.914 -0.511 0.000 2.759 222 V HA -0.179 3.941 4.120 -0.000 0.000 0.256 222 V C 2.269 178.057 176.094 -0.510 0.000 1.080 222 V CA 2.247 64.149 62.300 -0.663 0.000 1.101 222 V CB -0.500 30.741 31.823 -0.970 0.000 0.698 222 V HN 0.584 nan 8.190 nan 0.000 0.477 223 K N -0.868 119.320 120.400 -0.353 0.000 2.137 223 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 223 K C 2.050 178.518 176.600 -0.220 0.000 1.052 223 K CA 0.986 57.109 56.287 -0.274 0.000 0.961 223 K CB -0.080 32.304 32.500 -0.194 0.000 0.741 223 K HN 0.432 nan 8.250 nan 0.000 0.452 224 Q N -0.204 119.504 119.800 -0.153 0.000 2.488 224 Q HA 0.004 4.344 4.340 -0.000 0.000 0.211 224 Q C 1.305 177.245 176.000 -0.100 0.000 0.967 224 Q CA 0.627 56.377 55.803 -0.089 0.000 0.926 224 Q CB 0.287 29.014 28.738 -0.018 0.000 0.992 224 Q HN 0.273 nan 8.270 nan 0.000 0.506 225 A N -0.865 121.831 122.820 -0.206 0.000 2.267 225 A HA 0.372 4.692 4.320 -0.000 0.000 0.213 225 A C 1.390 178.749 177.584 -0.375 0.000 1.192 225 A CA 0.580 52.454 52.037 -0.271 0.000 0.851 225 A CB 0.080 18.751 19.000 -0.550 0.000 0.881 225 A HN 0.367 nan 8.150 nan 0.000 0.494 226 G N -0.203 108.380 108.800 -0.361 0.000 2.136 226 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 226 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 226 G C -0.018 174.587 174.900 -0.492 0.000 0.989 226 G CA 0.341 45.233 45.100 -0.346 0.000 0.682 226 G HN 0.637 nan 8.290 nan 0.000 0.522 227 N N -0.016 118.253 118.700 -0.718 0.000 2.497 227 N HA 0.498 5.238 4.740 -0.000 0.000 0.284 227 N C 1.733 176.817 175.510 -0.711 0.000 1.459 227 N CA 0.123 52.591 53.050 -0.969 0.000 0.899 227 N CB 0.643 37.866 38.487 -2.107 0.000 1.316 227 N HN 0.415 nan 8.380 nan 0.000 0.500 228 A N 1.506 124.058 122.820 -0.447 0.000 2.131 228 A HA -0.273 4.046 4.320 -0.000 0.000 0.224 228 A C 1.742 179.199 177.584 -0.211 0.000 1.172 228 A CA 2.022 53.877 52.037 -0.302 0.000 0.672 228 A CB -0.347 18.524 19.000 -0.215 0.000 0.815 228 A HN 0.556 nan 8.150 nan 0.000 0.477 229 D N -2.531 117.750 120.400 -0.199 0.000 2.328 229 D HA -0.021 4.619 4.640 -0.000 0.000 0.226 229 D C 0.011 176.386 176.300 0.125 0.000 1.066 229 D CA -0.338 53.632 54.000 -0.050 0.000 0.861 229 D CB -0.331 40.443 40.800 -0.043 0.000 0.912 229 D HN 0.462 nan 8.370 nan 0.000 0.521 230 W N 2.011 123.249 121.300 -0.102 0.000 2.202 230 W HA 0.389 5.049 4.660 -0.000 0.000 0.332 230 W C 0.733 177.321 176.519 0.116 0.000 1.263 230 W CA -0.889 56.446 57.345 -0.017 0.000 1.223 230 W CB 0.457 29.881 29.460 -0.060 0.000 1.128 230 W HN -0.097 nan 8.180 nan 0.000 0.573 231 E N 1.547 121.964 120.200 0.363 0.000 2.378 231 E HA 0.447 4.797 4.350 -0.000 0.000 0.265 231 E C -0.390 176.221 176.600 0.017 0.000 0.932 231 E CA -1.187 55.381 56.400 0.280 0.000 0.795 231 E CB 2.036 31.797 29.700 0.101 0.000 1.296 231 E HN 0.177 nan 8.360 nan 0.000 0.438 232 M N 1.122 120.549 119.600 -0.289 0.000 2.202 232 M HA 0.253 4.733 4.480 -0.000 0.000 0.316 232 M C -2.122 173.795 176.300 -0.638 0.000 1.138 232 M CA -1.539 53.229 55.300 -0.888 0.000 1.151 232 M CB -0.176 31.887 32.600 -0.895 0.000 1.422 232 M HN 0.176 nan 8.290 nan 0.000 0.471 233 P HA 0.060 nan 4.420 nan 0.000 0.267 233 P C -0.385 176.755 177.300 -0.267 0.000 1.201 233 P CA 0.074 62.814 63.100 -0.600 0.000 0.775 233 P CB 0.438 31.611 31.700 -0.879 0.000 0.854 234 G N 0.815 109.502 108.800 -0.189 0.000 3.264 234 G HA2 0.176 4.136 3.960 -0.000 0.000 0.168 234 G HA3 0.176 4.136 3.960 -0.000 0.000 0.168 234 G C 0.413 175.244 174.900 -0.115 0.000 1.145 234 G CA -0.512 44.508 45.100 -0.133 0.000 0.855 234 G HN 0.281 nan 8.290 nan 0.000 0.629 235 K N -0.073 120.274 120.400 -0.089 0.000 2.286 235 K HA -0.085 4.235 4.320 -0.000 0.000 0.203 235 K C 2.343 178.916 176.600 -0.045 0.000 1.045 235 K CA 1.060 57.305 56.287 -0.069 0.000 0.935 235 K CB -0.277 32.191 32.500 -0.052 0.000 0.737 235 K HN 0.395 nan 8.250 nan 0.000 0.460 236 G N 0.931 109.708 108.800 -0.039 0.000 2.448 236 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 236 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 236 G C 1.450 176.364 174.900 0.023 0.000 1.127 236 G CA 0.833 45.933 45.100 -0.001 0.000 0.766 236 G HN 0.357 nan 8.290 nan 0.000 0.552 237 A N -0.385 122.414 122.820 -0.035 0.000 2.169 237 A HA 0.508 4.828 4.320 -0.000 0.000 0.212 237 A C 1.747 179.370 177.584 0.065 0.000 1.153 237 A CA 1.398 53.424 52.037 -0.018 0.000 0.756 237 A CB -0.519 18.407 19.000 -0.123 0.000 0.813 237 A HN 1.728 nan 8.150 nan 0.000 0.471 238 G N -1.214 107.584 108.800 -0.003 0.000 2.584 238 G HA2 0.073 4.033 3.960 -0.000 0.000 0.229 238 G HA3 0.073 4.033 3.960 -0.000 0.000 0.229 238 G C 0.117 174.965 174.900 -0.085 0.000 1.320 238 G CA 0.386 45.472 45.100 -0.022 0.000 0.891 238 G HN 1.776 nan 8.290 nan 0.000 0.573 239 T N -3.754 110.751 114.554 -0.082 0.000 2.883 239 T HA 0.646 4.996 4.350 -0.000 0.000 0.296 239 T C 0.927 175.595 174.700 -0.054 0.000 1.117 239 T CA 0.309 62.328 62.100 -0.135 0.000 1.006 239 T CB 1.480 70.314 68.868 -0.058 0.000 1.191 239 T HN 0.934 nan 8.240 nan 0.000 0.508 240 Y N 1.139 121.490 120.300 0.085 0.000 2.100 240 Y HA -0.274 4.276 4.550 -0.000 0.000 0.267 240 Y C 2.192 178.212 175.900 0.201 0.000 1.250 240 Y CA 2.057 60.278 58.100 0.202 0.000 1.105 240 Y CB -0.440 38.184 38.460 0.272 0.000 0.924 240 Y HN 0.577 nan 8.280 nan 0.000 0.508 241 N N 0.392 119.240 118.700 0.246 0.000 2.295 241 N HA 0.020 4.760 4.740 -0.000 0.000 0.221 241 N C -0.611 174.925 175.510 0.043 0.000 1.129 241 N CA 0.240 53.347 53.050 0.095 0.000 0.836 241 N CB -0.155 38.334 38.487 0.005 0.000 1.040 241 N HN 0.355 nan 8.380 nan 0.000 0.494 242 D N 0.262 120.679 120.400 0.028 0.000 2.398 242 D HA 0.119 4.759 4.640 -0.000 0.000 0.247 242 D C 0.302 176.545 176.300 -0.094 0.000 1.227 242 D CA 0.453 54.434 54.000 -0.032 0.000 0.980 242 D CB 1.161 41.933 40.800 -0.047 0.000 1.106 242 D HN -0.136 nan 8.370 nan 0.000 0.493 243 T N -0.315 114.145 114.554 -0.158 0.000 2.945 243 T HA 0.309 4.659 4.350 -0.000 0.000 0.286 243 T C -1.665 172.713 174.700 -0.537 0.000 1.025 243 T CA -2.007 59.882 62.100 -0.351 0.000 1.039 243 T CB 1.540 70.316 68.868 -0.154 0.000 1.068 243 T HN 0.018 nan 8.240 nan 0.000 0.497 244 P HA -0.060 nan 4.420 nan 0.000 0.216 244 P C 0.618 177.725 177.300 -0.322 0.000 1.150 244 P CA 1.019 63.635 63.100 -0.806 0.000 0.837 244 P CB 0.204 30.990 31.700 -1.524 0.000 0.786 245 D N -1.022 119.231 120.400 -0.245 0.000 2.277 245 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 245 D C 1.428 177.715 176.300 -0.022 0.000 0.962 245 D CA 0.845 54.823 54.000 -0.036 0.000 0.865 245 D CB -0.384 40.432 40.800 0.027 0.000 0.939 245 D HN 0.231 nan 8.370 nan 0.000 0.510 246 K N -0.023 120.344 120.400 -0.055 0.000 2.487 246 K HA 0.077 4.397 4.320 -0.000 0.000 0.192 246 K C 0.416 177.013 176.600 -0.004 0.000 1.027 246 K CA 0.386 56.659 56.287 -0.024 0.000 1.054 246 K CB 0.387 32.867 32.500 -0.032 0.000 0.824 246 K HN 0.026 nan 8.250 nan 0.000 0.510 247 T N 0.928 115.489 114.554 0.012 0.000 2.944 247 T HA 0.085 4.435 4.350 -0.000 0.000 0.284 247 T C 0.964 175.702 174.700 0.064 0.000 1.010 247 T CA -0.587 61.554 62.100 0.069 0.000 1.025 247 T CB 1.679 70.663 68.868 0.194 0.000 1.079 247 T HN 0.239 nan 8.240 nan 0.000 0.516 248 E N -0.151 120.085 120.200 0.060 0.000 2.447 248 E HA 0.169 4.518 4.350 -0.000 0.000 0.204 248 E C 1.243 177.846 176.600 0.005 0.000 0.977 248 E CA 0.263 56.682 56.400 0.031 0.000 0.950 248 E CB -0.207 29.503 29.700 0.018 0.000 0.975 248 E HN 0.516 nan 8.360 nan 0.000 0.496 249 F N 0.029 119.876 119.950 -0.171 0.000 2.335 249 F HA 0.254 4.781 4.527 -0.000 0.000 0.296 249 F C 0.819 176.347 175.800 -0.454 0.000 1.091 249 F CA 0.688 58.463 58.000 -0.376 0.000 1.399 249 F CB 0.328 38.927 39.000 -0.669 0.000 1.067 249 F HN -0.008 nan 8.300 nan 0.000 0.520 250 F N 0.773 120.773 119.950 0.084 0.000 2.653 250 F HA 0.242 4.769 4.527 -0.000 0.000 0.304 250 F C 0.857 176.630 175.800 -0.046 0.000 1.092 250 F CA -0.693 57.238 58.000 -0.116 0.000 1.279 250 F CB -0.342 38.546 39.000 -0.187 0.000 1.044 250 F HN -0.270 nan 8.300 nan 0.000 0.564 251 R N 0.866 121.460 120.500 0.157 0.000 2.582 251 R HA 0.364 4.704 4.340 -0.000 0.000 0.271 251 R C -2.807 173.630 176.300 0.228 0.000 1.078 251 R CA -1.756 54.448 56.100 0.174 0.000 1.127 251 R CB -0.697 29.663 30.300 0.099 0.000 1.038 251 R HN -0.152 nan 8.270 nan 0.000 0.500 252 P HA -0.165 nan 4.420 nan 0.000 0.261 252 P C -0.533 176.839 177.300 0.120 0.000 1.183 252 P CA 0.670 63.864 63.100 0.158 0.000 0.761 252 P CB 0.258 31.998 31.700 0.068 0.000 0.785 253 N N 1.185 119.948 118.700 0.105 0.000 2.747 253 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 253 N C 0.467 175.962 175.510 -0.024 0.000 1.107 253 N CA 0.581 53.623 53.050 -0.013 0.000 0.707 253 N CB -0.852 37.626 38.487 -0.015 0.000 1.054 253 N HN 0.597 nan 8.380 nan 0.000 0.555 254 G N -0.790 108.044 108.800 0.057 0.000 2.508 254 G HA2 0.249 4.209 3.960 -0.000 0.000 0.278 254 G HA3 0.249 4.209 3.960 -0.000 0.000 0.278 254 G C 1.041 175.839 174.900 -0.170 0.000 1.389 254 G CA 0.690 45.789 45.100 -0.001 0.000 1.050 254 G HN 0.223 nan 8.290 nan 0.000 0.522 255 T N -0.346 114.029 114.554 -0.298 0.000 2.881 255 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 255 T C 1.915 176.226 174.700 -0.649 0.000 1.068 255 T CA 1.957 63.792 62.100 -0.442 0.000 1.131 255 T CB -0.434 68.210 68.868 -0.373 0.000 0.871 255 T HN 0.610 nan 8.240 nan 0.000 0.479 256 Y N 1.028 120.704 120.300 -1.040 0.000 2.571 256 Y HA 0.266 4.816 4.550 -0.000 0.000 0.294 256 Y C 2.069 177.834 175.900 -0.226 0.000 1.141 256 Y CA 0.422 58.090 58.100 -0.721 0.000 1.308 256 Y CB -0.124 37.991 38.460 -0.575 0.000 1.002 256 Y HN -0.005 nan 8.280 nan 0.000 0.551 257 K N 0.757 120.622 120.400 -0.892 0.000 2.361 257 K HA 0.072 4.392 4.320 -0.000 0.000 0.196 257 K C 0.197 176.614 176.600 -0.305 0.000 1.039 257 K CA 0.337 56.219 56.287 -0.675 0.000 1.001 257 K CB 0.114 32.240 32.500 -0.625 0.000 0.795 257 K HN 0.246 nan 8.250 nan 0.000 0.495 258 T N 1.581 115.978 114.554 -0.261 0.000 2.802 258 T HA -0.021 4.329 4.350 -0.000 0.000 0.305 258 T C 0.623 175.270 174.700 -0.088 0.000 1.053 258 T CA -0.346 61.659 62.100 -0.157 0.000 1.058 258 T CB 0.817 69.576 68.868 -0.183 0.000 0.988 258 T HN 0.125 nan 8.240 nan 0.000 0.539 259 D N 0.882 121.267 120.400 -0.025 0.000 2.144 259 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 259 D C 1.937 178.228 176.300 -0.016 0.000 0.984 259 D CA 1.022 55.071 54.000 0.083 0.000 0.834 259 D CB -0.126 40.794 40.800 0.199 0.000 0.955 259 D HN 0.505 nan 8.370 nan 0.000 0.465 260 M N 0.490 119.866 119.600 -0.373 0.000 2.200 260 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 260 M C 1.994 178.092 176.300 -0.336 0.000 1.066 260 M CA 1.767 56.459 55.300 -1.014 0.000 1.127 260 M CB -0.023 31.773 32.600 -1.340 0.000 1.379 260 M HN -0.055 nan 8.290 nan 0.000 0.420 261 G N 0.694 109.396 108.800 -0.163 0.000 2.394 261 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 261 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 261 G C 1.511 176.487 174.900 0.126 0.000 1.165 261 G CA 0.623 45.731 45.100 0.013 0.000 0.784 261 G HN 0.473 nan 8.290 nan 0.000 0.535 262 K N -0.595 119.869 120.400 0.107 0.000 2.097 262 K HA 0.017 4.337 4.320 -0.000 0.000 0.205 262 K C 2.103 178.842 176.600 0.231 0.000 1.050 262 K CA 0.819 57.229 56.287 0.204 0.000 0.938 262 K CB -0.245 32.385 32.500 0.216 0.000 0.718 262 K HN 0.316 nan 8.250 nan 0.000 0.442 263 F N 0.736 120.780 119.950 0.157 0.000 2.234 263 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 263 F C 1.934 177.974 175.800 0.400 0.000 1.087 263 F CA 0.893 59.066 58.000 0.289 0.000 1.340 263 F CB -0.095 39.136 39.000 0.384 0.000 1.031 263 F HN -0.055 nan 8.300 nan 0.000 0.500 264 F N 0.602 120.762 119.950 0.350 0.000 2.098 264 F HA -0.110 4.417 4.527 -0.000 0.000 0.294 264 F C 1.843 177.662 175.800 0.031 0.000 1.107 264 F CA 1.677 59.779 58.000 0.171 0.000 1.234 264 F CB -0.851 38.019 39.000 -0.216 0.000 1.002 264 F HN -0.107 nan 8.300 nan 0.000 0.472 265 L N -0.253 120.714 121.223 -0.428 0.000 2.079 265 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 265 L C 2.330 178.845 176.870 -0.592 0.000 1.081 265 L CA 1.761 56.137 54.840 -0.772 0.000 0.752 265 L CB -1.292 40.115 42.059 -1.087 0.000 0.896 265 L HN 0.191 nan 8.230 nan 0.000 0.433 266 T N -1.353 113.037 114.554 -0.273 0.000 2.746 266 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 266 T C 1.355 176.038 174.700 -0.029 0.000 1.039 266 T CA 1.532 63.634 62.100 0.003 0.000 1.142 266 T CB -0.321 68.576 68.868 0.048 0.000 0.866 266 T HN 0.520 nan 8.240 nan 0.000 0.444 267 W N 0.749 121.937 121.300 -0.186 0.000 2.379 267 W HA -0.149 4.511 4.660 -0.000 0.000 0.307 267 W C 2.095 178.580 176.519 -0.056 0.000 1.200 267 W CA 0.784 58.090 57.345 -0.066 0.000 1.297 267 W CB -0.681 28.880 29.460 0.168 0.000 1.140 267 W HN 0.267 nan 8.180 nan 0.000 0.507 268 Y N 1.822 121.866 120.300 -0.427 0.000 2.181 268 Y HA -0.247 4.303 4.550 -0.000 0.000 0.288 268 Y C 2.852 178.518 175.900 -0.390 0.000 1.146 268 Y CA 2.787 60.496 58.100 -0.651 0.000 1.164 268 Y CB -0.884 37.023 38.460 -0.921 0.000 0.982 268 Y HN 0.064 nan 8.280 nan 0.000 0.515 269 S N -0.463 115.097 115.700 -0.233 0.000 2.387 269 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 269 S C 1.827 176.313 174.600 -0.190 0.000 1.026 269 S CA 1.105 59.194 58.200 -0.185 0.000 0.972 269 S CB -0.582 62.614 63.200 -0.006 0.000 0.814 269 S HN 0.453 nan 8.310 nan 0.000 0.477 270 N N 1.940 120.531 118.700 -0.182 0.000 2.166 270 N HA 0.013 4.753 4.740 -0.000 0.000 0.186 270 N C 1.602 176.983 175.510 -0.215 0.000 1.019 270 N CA 1.152 54.110 53.050 -0.154 0.000 0.856 270 N CB -0.454 37.961 38.487 -0.120 0.000 0.993 270 N HN 0.329 nan 8.380 nan 0.000 0.426 271 K N 0.921 121.097 120.400 -0.374 0.000 2.103 271 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 271 K C 1.827 178.285 176.600 -0.237 0.000 1.048 271 K CA 0.552 56.621 56.287 -0.362 0.000 0.930 271 K CB -0.579 31.555 32.500 -0.610 0.000 0.716 271 K HN 0.097 nan 8.250 nan 0.000 0.444 272 L N 0.273 121.310 121.223 -0.310 0.000 2.109 272 L HA 0.027 4.367 4.340 -0.000 0.000 0.207 272 L C 1.780 178.562 176.870 -0.147 0.000 1.086 272 L CA 1.377 56.006 54.840 -0.352 0.000 0.760 272 L CB -0.181 41.526 42.059 -0.587 0.000 0.910 272 L HN 0.183 nan 8.230 nan 0.000 0.437 273 I N -0.678 119.823 120.570 -0.115 0.000 2.179 273 I HA -0.327 3.843 4.170 -0.000 0.000 0.242 273 I C 2.349 178.459 176.117 -0.012 0.000 1.088 273 I CA 1.615 62.892 61.300 -0.038 0.000 1.357 273 I CB -0.301 37.684 38.000 -0.026 0.000 1.051 273 I HN 0.211 nan 8.210 nan 0.000 0.409 274 I N 0.013 120.569 120.570 -0.022 0.000 2.286 274 I HA -0.348 3.822 4.170 -0.000 0.000 0.248 274 I C 2.692 178.827 176.117 0.030 0.000 1.115 274 I CA 1.357 62.661 61.300 0.006 0.000 1.392 274 I CB -0.779 37.220 38.000 -0.002 0.000 1.065 274 I HN 0.402 nan 8.210 nan 0.000 0.418 275 H N 1.284 120.316 119.070 -0.065 0.000 2.353 275 H HA -0.134 4.422 4.556 -0.000 0.000 0.300 275 H C 2.169 177.472 175.328 -0.042 0.000 1.090 275 H CA 1.845 57.866 56.048 -0.044 0.000 1.327 275 H CB -0.028 29.698 29.762 -0.060 0.000 1.383 275 H HN 0.331 nan 8.280 nan 0.000 0.508 276 G N 0.300 109.054 108.800 -0.077 0.000 2.404 276 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.215 276 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.215 276 G C 1.491 176.319 174.900 -0.121 0.000 1.174 276 G CA 0.887 45.910 45.100 -0.129 0.000 0.780 276 G HN 0.496 nan 8.290 nan 0.000 0.537 277 D N 0.197 120.582 120.400 -0.026 0.000 2.116 277 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 277 D C 2.557 178.833 176.300 -0.040 0.000 0.998 277 D CA 1.523 55.559 54.000 0.060 0.000 0.836 277 D CB -0.143 40.719 40.800 0.104 0.000 0.951 277 D HN 0.442 nan 8.370 nan 0.000 0.449 278 Q N -0.697 119.064 119.800 -0.065 0.000 2.119 278 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 278 Q C 2.383 178.298 176.000 -0.141 0.000 0.972 278 Q CA 1.075 56.833 55.803 -0.076 0.000 0.847 278 Q CB 0.160 28.871 28.738 -0.045 0.000 0.903 278 Q HN 0.249 nan 8.270 nan 0.000 0.433 279 V N 0.663 120.441 119.914 -0.227 0.000 2.427 279 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 279 V C 1.972 177.943 176.094 -0.205 0.000 1.051 279 V CA 1.071 63.235 62.300 -0.227 0.000 1.048 279 V CB -0.325 31.282 31.823 -0.359 0.000 0.666 279 V HN 0.366 nan 8.190 nan 0.000 0.456 280 L N -0.235 120.813 121.223 -0.291 0.000 2.291 280 L HA -0.054 4.286 4.340 -0.000 0.000 0.214 280 L C 2.388 178.965 176.870 -0.488 0.000 1.120 280 L CA 1.533 56.141 54.840 -0.387 0.000 0.799 280 L CB -1.227 40.523 42.059 -0.515 0.000 0.925 280 L HN 0.473 nan 8.230 nan 0.000 0.446 281 E N -0.387 119.560 120.200 -0.423 0.000 2.046 281 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 281 E C 1.871 178.440 176.600 -0.052 0.000 0.982 281 E CA 0.720 57.019 56.400 -0.168 0.000 0.800 281 E CB 0.353 30.049 29.700 -0.007 0.000 0.756 281 E HN 0.393 nan 8.360 nan 0.000 0.449 282 E N 0.514 120.683 120.200 -0.052 0.000 2.085 282 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 282 E C 1.964 178.575 176.600 0.020 0.000 0.994 282 E CA 1.047 57.442 56.400 -0.008 0.000 0.801 282 E CB -0.365 29.334 29.700 -0.002 0.000 0.743 282 E HN 0.232 nan 8.360 nan 0.000 0.453 283 A N 2.093 124.934 122.820 0.034 0.000 1.902 283 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 283 A C 2.095 179.802 177.584 0.204 0.000 1.181 283 A CA 1.760 53.892 52.037 0.159 0.000 0.623 283 A CB -0.644 18.431 19.000 0.125 0.000 0.818 283 A HN 0.251 nan 8.150 nan 0.000 0.443 284 N N 0.203 118.966 118.700 0.106 0.000 2.039 284 N HA -0.185 4.555 4.740 -0.000 0.000 0.193 284 N C 1.643 177.223 175.510 0.116 0.000 1.044 284 N CA 1.956 55.095 53.050 0.149 0.000 0.847 284 N CB -0.349 38.239 38.487 0.167 0.000 1.030 284 N HN 0.530 nan 8.380 nan 0.000 0.422 285 K N 0.119 120.558 120.400 0.064 0.000 2.113 285 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 285 K C 2.041 178.618 176.600 -0.038 0.000 1.047 285 K CA 1.156 57.458 56.287 0.025 0.000 0.928 285 K CB -0.020 32.489 32.500 0.014 0.000 0.716 285 K HN 0.075 nan 8.250 nan 0.000 0.446 286 V N 0.094 119.945 119.914 -0.105 0.000 2.548 286 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 286 V C 1.397 177.175 176.094 -0.526 0.000 1.055 286 V CA 1.553 63.646 62.300 -0.346 0.000 1.065 286 V CB -0.316 31.200 31.823 -0.511 0.000 0.681 286 V HN 0.199 nan 8.190 nan 0.000 0.462 287 F N -0.565 119.408 119.950 0.039 0.000 2.678 287 F HA 0.290 4.817 4.527 -0.000 0.000 0.305 287 F C 0.968 176.788 175.800 0.033 0.000 1.090 287 F CA -0.560 57.463 58.000 0.037 0.000 1.272 287 F CB 0.003 39.029 39.000 0.044 0.000 1.060 287 F HN -0.060 nan 8.300 nan 0.000 0.576 288 V N -0.475 119.525 119.914 0.143 0.000 3.061 288 V HA 0.350 4.470 4.120 -0.000 0.000 0.306 288 V C 1.360 177.501 176.094 0.078 0.000 1.118 288 V CA 0.045 62.409 62.300 0.105 0.000 1.231 288 V CB -0.080 31.786 31.823 0.071 0.000 0.956 288 V HN 0.602 nan 8.190 nan 0.000 0.499 289 G N 2.235 111.070 108.800 0.058 0.000 2.168 289 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.263 289 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.263 289 G C -0.175 174.755 174.900 0.050 0.000 0.977 289 G CA 0.612 45.736 45.100 0.039 0.000 0.659 289 G HN 0.888 nan 8.290 nan 0.000 0.533 290 L N -0.723 120.550 121.223 0.083 0.000 2.330 290 L HA 0.611 4.951 4.340 -0.000 0.000 0.271 290 L C 0.925 177.835 176.870 0.066 0.000 1.013 290 L CA -1.189 53.705 54.840 0.090 0.000 0.816 290 L CB 1.475 43.632 42.059 0.164 0.000 1.287 290 L HN 0.012 nan 8.230 nan 0.000 0.435 291 R N 1.782 122.309 120.500 0.046 0.000 2.593 291 R HA 0.490 4.829 4.340 -0.000 0.000 0.282 291 R C -1.123 175.187 176.300 0.017 0.000 1.300 291 R CA -0.142 55.974 56.100 0.027 0.000 1.221 291 R CB 0.641 30.952 30.300 0.018 0.000 1.157 291 R HN 0.290 nan 8.270 nan 0.000 0.555 292 V N 2.153 122.072 119.914 0.007 0.000 3.098 292 V HA 0.210 4.330 4.120 -0.000 0.000 0.294 292 V C -1.461 174.604 176.094 -0.049 0.000 1.351 292 V CA -1.049 61.228 62.300 -0.039 0.000 0.999 292 V CB 2.669 34.440 31.823 -0.087 0.000 1.104 292 V HN 0.620 nan 8.190 nan 0.000 0.438 293 N N 4.475 123.136 118.700 -0.065 0.000 2.509 293 N HA 0.610 5.350 4.740 -0.000 0.000 0.287 293 N C -0.527 174.921 175.510 -0.103 0.000 1.121 293 N CA -0.135 52.887 53.050 -0.047 0.000 0.977 293 N CB 1.777 40.249 38.487 -0.024 0.000 1.167 293 N HN 0.770 nan 8.380 nan 0.000 0.476 294 I N -1.596 118.939 120.570 -0.059 0.000 2.441 294 I HA 0.853 5.023 4.170 -0.000 0.000 0.295 294 I C -0.467 175.626 176.117 -0.040 0.000 0.994 294 I CA -1.006 60.244 61.300 -0.083 0.000 1.144 294 I CB 1.947 39.931 38.000 -0.027 0.000 1.314 294 I HN 0.341 nan 8.210 nan 0.000 0.445 295 A N 4.140 126.922 122.820 -0.062 0.000 2.539 295 A HA 0.958 5.278 4.320 -0.000 0.000 0.296 295 A C -0.959 176.598 177.584 -0.044 0.000 1.073 295 A CA -0.568 51.447 52.037 -0.036 0.000 0.700 295 A CB 1.731 20.707 19.000 -0.039 0.000 1.296 295 A HN 1.163 nan 8.150 nan 0.000 0.405 296 A N 1.049 123.856 122.820 -0.022 0.000 2.356 296 A HA 0.765 5.085 4.320 -0.000 0.000 0.323 296 A C -0.477 177.101 177.584 -0.009 0.000 1.119 296 A CA -0.659 51.362 52.037 -0.026 0.000 0.790 296 A CB 0.984 19.977 19.000 -0.012 0.000 1.273 296 A HN 0.684 nan 8.150 nan 0.000 0.452 297 K N 0.884 121.271 120.400 -0.020 0.000 2.185 297 K HA 0.581 4.901 4.320 -0.000 0.000 0.269 297 K C -1.343 175.281 176.600 0.041 0.000 0.987 297 K CA -0.545 55.740 56.287 -0.003 0.000 0.865 297 K CB 2.054 34.527 32.500 -0.046 0.000 1.090 297 K HN 0.358 nan 8.250 nan 0.000 0.450 298 V N 2.635 122.604 119.914 0.092 0.000 2.409 298 V HA 0.139 4.259 4.120 -0.000 0.000 0.291 298 V C 0.011 176.162 176.094 0.095 0.000 1.020 298 V CA -0.812 61.579 62.300 0.151 0.000 0.848 298 V CB 1.555 33.477 31.823 0.164 0.000 0.990 298 V HN 0.939 nan 8.190 nan 0.000 0.430 299 S N 3.383 119.137 115.700 0.090 0.000 2.585 299 S HA 0.512 4.982 4.470 -0.000 0.000 0.273 299 S C 0.456 174.988 174.600 -0.113 0.000 1.339 299 S CA -0.164 58.026 58.200 -0.015 0.000 1.028 299 S CB 1.352 64.642 63.200 0.150 0.000 0.906 299 S HN 1.089 nan 8.310 nan 0.000 0.528 300 G N 1.076 109.668 108.800 -0.345 0.000 2.350 300 G HA2 0.550 4.510 3.960 -0.000 0.000 0.306 300 G HA3 0.550 4.510 3.960 -0.000 0.000 0.306 300 G C -0.455 174.422 174.900 -0.038 0.000 1.094 300 G CA -0.849 44.082 45.100 -0.282 0.000 0.953 300 G HN 0.761 nan 8.290 nan 0.000 0.420 301 I N 4.327 124.831 120.570 -0.111 0.000 2.442 301 I HA 0.169 4.339 4.170 -0.000 0.000 0.279 301 I C 1.339 177.183 176.117 -0.455 0.000 1.081 301 I CA -0.786 60.141 61.300 -0.621 0.000 1.197 301 I CB 0.592 38.268 38.000 -0.540 0.000 1.394 301 I HN 0.739 nan 8.210 nan 0.000 0.488 302 H N 3.042 121.992 119.070 -0.200 0.000 2.512 302 H HA -0.014 4.542 4.556 -0.000 0.000 0.279 302 H C 0.197 175.608 175.328 0.139 0.000 0.999 302 H CA -0.383 55.678 56.048 0.022 0.000 1.283 302 H CB -0.431 29.378 29.762 0.079 0.000 1.421 302 H HN 0.614 nan 8.280 nan 0.000 0.554 303 W N -0.106 120.989 121.300 -0.343 0.000 2.210 303 W HA 0.273 4.933 4.660 -0.000 0.000 0.330 303 W C -0.275 176.169 176.519 -0.125 0.000 1.334 303 W CA -1.081 56.083 57.345 -0.301 0.000 1.227 303 W CB 0.012 29.207 29.460 -0.441 0.000 1.178 303 W HN 0.269 nan 8.180 nan 0.000 0.560 304 W N 0.796 122.165 121.300 0.116 0.000 2.560 304 W HA -0.373 4.286 4.660 -0.000 0.000 0.279 304 W C 1.384 177.860 176.519 -0.071 0.000 1.090 304 W CA 0.557 57.898 57.345 -0.007 0.000 0.535 304 W CB -2.269 27.120 29.460 -0.117 0.000 2.121 304 W HN 0.720 nan 8.180 nan 0.000 1.314 305 Y N 1.565 121.854 120.300 -0.018 0.000 2.293 305 Y HA -0.059 4.491 4.550 -0.000 0.000 0.291 305 Y C 1.824 177.546 175.900 -0.297 0.000 1.137 305 Y CA 2.135 60.113 58.100 -0.203 0.000 1.202 305 Y CB -0.132 38.316 38.460 -0.021 0.000 0.990 305 Y HN -0.111 nan 8.280 nan 0.000 0.537 306 N N 0.211 118.994 118.700 0.139 0.000 2.362 306 N HA -0.059 4.680 4.740 -0.000 0.000 0.211 306 N C -0.797 174.772 175.510 0.098 0.000 1.170 306 N CA 0.313 53.427 53.050 0.108 0.000 0.828 306 N CB -0.440 38.139 38.487 0.155 0.000 1.034 306 N HN 0.407 nan 8.380 nan 0.000 0.475 307 H N 0.277 119.328 119.070 -0.030 0.000 2.524 307 H HA 0.114 4.670 4.556 -0.000 0.000 0.353 307 H C 1.363 176.683 175.328 -0.014 0.000 1.136 307 H CA -0.483 55.595 56.048 0.050 0.000 1.193 307 H CB 2.020 31.887 29.762 0.175 0.000 1.558 307 H HN -0.141 nan 8.280 nan 0.000 0.515 308 V N 2.493 122.244 119.914 -0.271 0.000 2.660 308 V HA -0.219 3.901 4.120 -0.000 0.000 0.257 308 V C 1.863 178.116 176.094 0.265 0.000 1.088 308 V CA 2.085 64.410 62.300 0.042 0.000 1.106 308 V CB -1.205 30.625 31.823 0.011 0.000 0.686 308 V HN 0.670 nan 8.190 nan 0.000 0.481 309 S N -1.305 114.596 115.700 0.334 0.000 2.501 309 S HA -0.043 4.427 4.470 -0.000 0.000 0.220 309 S C 0.947 175.652 174.600 0.175 0.000 0.997 309 S CA 0.512 58.704 58.200 -0.014 0.000 0.919 309 S CB -0.734 62.418 63.200 -0.080 0.000 0.778 309 S HN 0.700 nan 8.310 nan 0.000 0.523 310 H N 0.883 120.008 119.070 0.093 0.000 2.655 310 H HA -0.179 4.377 4.556 -0.000 0.000 0.313 310 H C 1.379 176.706 175.328 -0.003 0.000 1.141 310 H CA 0.328 56.412 56.048 0.060 0.000 1.138 310 H CB -1.816 27.968 29.762 0.036 0.000 1.446 310 H HN 0.584 nan 8.280 nan 0.000 0.415 311 A N 0.579 123.330 122.820 -0.114 0.000 1.870 311 A HA -0.217 4.102 4.320 -0.000 0.000 0.219 311 A C 2.673 180.044 177.584 -0.354 0.000 1.224 311 A CA 2.918 54.639 52.037 -0.527 0.000 0.650 311 A CB -1.290 17.065 19.000 -1.075 0.000 0.836 311 A HN 0.809 nan 8.150 nan 0.000 0.454 312 A N -0.723 121.992 122.820 -0.175 0.000 1.917 312 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 312 A C 1.925 179.455 177.584 -0.089 0.000 1.182 312 A CA 1.981 53.927 52.037 -0.152 0.000 0.633 312 A CB -0.649 18.083 19.000 -0.448 0.000 0.819 312 A HN 0.701 nan 8.150 nan 0.000 0.448 313 E N -0.326 119.887 120.200 0.022 0.000 2.106 313 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 313 E C 1.947 178.708 176.600 0.269 0.000 0.984 313 E CA 0.901 57.445 56.400 0.239 0.000 0.806 313 E CB -0.229 29.673 29.700 0.337 0.000 0.750 313 E HN 0.633 nan 8.360 nan 0.000 0.458 314 L N 0.769 122.127 121.223 0.225 0.000 2.056 314 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 314 L C 2.840 179.928 176.870 0.364 0.000 1.078 314 L CA 1.682 56.725 54.840 0.339 0.000 0.749 314 L CB -0.985 41.358 42.059 0.473 0.000 0.901 314 L HN 0.340 nan 8.230 nan 0.000 0.433 315 T N -2.566 112.023 114.554 0.058 0.000 2.867 315 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 315 T C 1.821 176.654 174.700 0.222 0.000 1.057 315 T CA 0.868 62.918 62.100 -0.083 0.000 1.136 315 T CB -0.281 68.368 68.868 -0.364 0.000 0.874 315 T HN 0.299 nan 8.240 nan 0.000 0.466 316 A N 0.985 123.911 122.820 0.176 0.000 2.168 316 A HA 0.530 4.850 4.320 -0.000 0.000 0.215 316 A C 2.087 179.623 177.584 -0.081 0.000 1.152 316 A CA 0.877 52.990 52.037 0.126 0.000 0.716 316 A CB -0.992 18.129 19.000 0.202 0.000 0.794 316 A HN 1.410 nan 8.150 nan 0.000 0.465 317 G N -2.515 106.271 108.800 -0.024 0.000 2.168 317 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.197 317 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.197 317 G C -0.094 174.532 174.900 -0.455 0.000 0.997 317 G CA -0.169 44.767 45.100 -0.273 0.000 0.658 317 G HN 0.370 nan 8.290 nan 0.000 0.513 318 F N 0.941 120.950 119.950 0.098 0.000 2.332 318 F HA 0.475 5.002 4.527 -0.000 0.000 0.368 318 F C 0.418 176.248 175.800 0.049 0.000 1.110 318 F CA -1.355 56.618 58.000 -0.045 0.000 1.087 318 F CB 1.014 39.922 39.000 -0.154 0.000 1.235 318 F HN 0.073 nan 8.300 nan 0.000 0.470 319 Y N 4.186 124.497 120.300 0.019 0.000 2.623 319 Y HA 0.181 4.731 4.550 -0.000 0.000 0.341 319 Y C -0.303 175.558 175.900 -0.065 0.000 1.292 319 Y CA -1.152 56.962 58.100 0.024 0.000 1.840 319 Y CB -0.659 37.812 38.460 0.018 0.000 1.865 319 Y HN 0.445 nan 8.280 nan 0.000 0.440 320 N N 2.585 121.296 118.700 0.019 0.000 2.501 320 N HA 0.526 5.266 4.740 -0.000 0.000 0.245 320 N C -1.460 173.794 175.510 -0.427 0.000 0.974 320 N CA -0.135 52.775 53.050 -0.234 0.000 0.941 320 N CB 0.818 39.166 38.487 -0.231 0.000 1.122 320 N HN 0.123 nan 8.380 nan 0.000 0.507 321 V N 0.886 120.563 119.914 -0.395 0.000 3.105 321 V HA 0.713 4.832 4.120 -0.000 0.000 0.311 321 V C -0.131 175.813 176.094 -0.252 0.000 1.287 321 V CA -1.293 60.797 62.300 -0.349 0.000 1.066 321 V CB 1.551 33.362 31.823 -0.020 0.000 1.105 321 V HN 0.687 nan 8.190 nan 0.000 0.462 322 A N 0.579 123.338 122.820 -0.102 0.000 2.524 322 A HA 0.487 4.807 4.320 -0.000 0.000 0.250 322 A C 1.330 178.870 177.584 -0.072 0.000 1.078 322 A CA 0.840 52.845 52.037 -0.054 0.000 0.761 322 A CB -0.929 18.078 19.000 0.012 0.000 1.012 322 A HN 2.383 nan 8.150 nan 0.000 0.500 323 G N 1.567 110.324 108.800 -0.072 0.000 2.143 323 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.248 323 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.248 323 G C 0.236 175.071 174.900 -0.109 0.000 0.991 323 G CA 0.690 45.747 45.100 -0.071 0.000 0.689 323 G HN 1.205 nan 8.290 nan 0.000 0.522 324 R N 0.289 120.697 120.500 -0.153 0.000 2.605 324 R HA 0.301 4.641 4.340 -0.000 0.000 0.291 324 R C -1.805 174.374 176.300 -0.202 0.000 1.226 324 R CA -0.754 55.221 56.100 -0.208 0.000 0.981 324 R CB 0.830 30.919 30.300 -0.351 0.000 1.215 324 R HN 0.103 nan 8.270 nan 0.000 0.428 325 D N 2.922 123.242 120.400 -0.135 0.000 2.336 325 D HA 0.136 4.776 4.640 -0.000 0.000 0.249 325 D C 0.671 176.895 176.300 -0.127 0.000 1.213 325 D CA 0.257 54.203 54.000 -0.090 0.000 0.870 325 D CB 1.499 42.278 40.800 -0.035 0.000 1.076 325 D HN 0.818 nan 8.370 nan 0.000 0.483 326 G N 2.669 111.337 108.800 -0.219 0.000 3.042 326 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.212 326 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.212 326 G C 0.710 175.393 174.900 -0.362 0.000 1.166 326 G CA 0.175 45.111 45.100 -0.274 0.000 0.767 326 G HN 0.499 nan 8.290 nan 0.000 0.546 327 Y N -0.767 119.526 120.300 -0.012 0.000 2.500 327 Y HA 0.242 4.792 4.550 -0.000 0.000 0.284 327 Y C 2.709 178.579 175.900 -0.050 0.000 1.118 327 Y CA 0.071 58.140 58.100 -0.052 0.000 1.241 327 Y CB 0.109 38.478 38.460 -0.151 0.000 1.171 327 Y HN 0.054 nan 8.280 nan 0.000 0.540 328 R N 1.226 121.777 120.500 0.084 0.000 2.103 328 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 328 R C -0.865 175.453 176.300 0.029 0.000 1.142 328 R CA 2.039 58.159 56.100 0.034 0.000 0.960 328 R CB -1.263 29.043 30.300 0.010 0.000 0.858 328 R HN 0.212 nan 8.270 nan 0.000 0.439 329 P HA -0.154 nan 4.420 nan 0.000 0.218 329 P C 1.302 178.623 177.300 0.034 0.000 1.149 329 P CA 1.332 64.444 63.100 0.020 0.000 0.817 329 P CB -0.078 31.628 31.700 0.009 0.000 0.785 330 I N 0.225 120.828 120.570 0.054 0.000 2.252 330 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 330 I C 2.600 178.752 176.117 0.059 0.000 1.102 330 I CA 1.435 62.779 61.300 0.074 0.000 1.385 330 I CB -0.708 37.368 38.000 0.127 0.000 1.064 330 I HN -0.089 nan 8.210 nan 0.000 0.414 331 A N 0.506 123.354 122.820 0.047 0.000 1.972 331 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 331 A C 2.402 180.006 177.584 0.034 0.000 1.169 331 A CA 1.675 53.730 52.037 0.030 0.000 0.635 331 A CB -0.607 18.396 19.000 0.005 0.000 0.810 331 A HN 0.372 nan 8.150 nan 0.000 0.446 332 R N -1.052 119.466 120.500 0.031 0.000 2.115 332 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 332 R C 2.166 178.465 176.300 -0.003 0.000 1.100 332 R CA 1.315 57.429 56.100 0.023 0.000 0.980 332 R CB -0.257 30.056 30.300 0.023 0.000 0.875 332 R HN 0.554 nan 8.270 nan 0.000 0.445 333 M N 0.635 120.242 119.600 0.012 0.000 2.077 333 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 333 M C 1.796 178.115 176.300 0.031 0.000 1.070 333 M CA 1.655 56.962 55.300 0.012 0.000 1.125 333 M CB -0.293 32.337 32.600 0.051 0.000 1.339 333 M HN 0.273 nan 8.290 nan 0.000 0.409 334 L N 0.549 121.811 121.223 0.066 0.000 2.131 334 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 334 L C 2.742 179.632 176.870 0.032 0.000 1.092 334 L CA 1.038 55.933 54.840 0.092 0.000 0.759 334 L CB -0.994 41.107 42.059 0.070 0.000 0.903 334 L HN 0.397 nan 8.230 nan 0.000 0.435 335 A N 0.121 122.936 122.820 -0.009 0.000 1.902 335 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 335 A C 2.451 179.901 177.584 -0.223 0.000 1.181 335 A CA 1.622 53.632 52.037 -0.044 0.000 0.623 335 A CB -0.591 18.416 19.000 0.012 0.000 0.818 335 A HN 0.360 nan 8.150 nan 0.000 0.443 336 R N -0.756 119.584 120.500 -0.268 0.000 2.117 336 R HA -0.197 4.143 4.340 -0.000 0.000 0.243 336 R C 0.966 176.873 176.300 -0.654 0.000 1.143 336 R CA 1.855 57.679 56.100 -0.460 0.000 0.968 336 R CB -0.385 29.610 30.300 -0.509 0.000 0.863 336 R HN 0.699 nan 8.270 nan 0.000 0.444 337 H N -0.518 118.421 119.070 -0.219 0.000 2.517 337 H HA 0.089 4.645 4.556 -0.000 0.000 0.282 337 H C -0.272 175.018 175.328 -0.063 0.000 1.023 337 H CA 0.105 56.080 56.048 -0.122 0.000 1.169 337 H CB 0.051 29.804 29.762 -0.015 0.000 1.454 337 H HN 0.352 nan 8.280 nan 0.000 0.556 338 H N -0.697 118.435 119.070 0.103 0.000 2.713 338 H HA -0.123 4.433 4.556 -0.000 0.000 0.311 338 H C 0.422 175.809 175.328 0.098 0.000 1.175 338 H CA 0.638 56.739 56.048 0.090 0.000 1.143 338 H CB -1.807 28.000 29.762 0.076 0.000 1.434 338 H HN 0.507 nan 8.280 nan 0.000 0.418 339 A N 0.517 123.423 122.820 0.143 0.000 2.294 339 A HA 0.641 4.961 4.320 -0.000 0.000 0.330 339 A C 0.603 178.239 177.584 0.088 0.000 1.133 339 A CA -0.266 51.839 52.037 0.113 0.000 0.836 339 A CB 1.139 20.200 19.000 0.102 0.000 1.190 339 A HN 0.200 nan 8.150 nan 0.000 0.492 340 T N 1.351 115.943 114.554 0.063 0.000 2.907 340 T HA 0.469 4.819 4.350 -0.000 0.000 0.284 340 T C -0.286 174.436 174.700 0.037 0.000 1.004 340 T CA -0.224 61.911 62.100 0.058 0.000 1.063 340 T CB 0.870 69.769 68.868 0.052 0.000 0.992 340 T HN 0.522 nan 8.240 nan 0.000 0.483 341 L N 3.666 124.907 121.223 0.030 0.000 2.264 341 L HA 0.462 4.802 4.340 -0.000 0.000 0.289 341 L C -0.179 176.710 176.870 0.032 0.000 1.044 341 L CA -0.644 54.206 54.840 0.016 0.000 0.807 341 L CB 0.572 42.614 42.059 -0.028 0.000 1.192 341 L HN 0.503 nan 8.230 nan 0.000 0.425 342 N N 5.177 123.905 118.700 0.046 0.000 2.501 342 N HA 0.162 4.901 4.740 -0.000 0.000 0.245 342 N C -1.394 174.186 175.510 0.117 0.000 0.974 342 N CA -0.346 52.741 53.050 0.062 0.000 0.941 342 N CB 0.866 39.364 38.487 0.018 0.000 1.122 342 N HN 0.397 nan 8.380 nan 0.000 0.507 343 F N 3.159 123.073 119.950 -0.060 0.000 2.404 343 F HA 0.217 4.744 4.527 -0.000 0.000 0.358 343 F C 1.213 176.986 175.800 -0.045 0.000 1.120 343 F CA -0.822 57.128 58.000 -0.084 0.000 1.144 343 F CB 0.689 39.611 39.000 -0.131 0.000 1.133 343 F HN 0.351 nan 8.300 nan 0.000 0.495 344 T N 1.319 115.642 114.554 -0.385 0.000 3.500 344 T HA 0.232 4.582 4.350 -0.000 0.000 0.244 344 T C -0.010 174.462 174.700 -0.379 0.000 0.962 344 T CA -0.334 61.589 62.100 -0.296 0.000 0.932 344 T CB -1.006 67.757 68.868 -0.175 0.000 1.096 344 T HN 0.565 nan 8.240 nan 0.000 0.617 345 C N 2.254 121.238 119.300 -0.527 0.000 3.008 345 C HA 0.567 5.027 4.460 -0.000 0.000 0.405 345 C C -0.933 173.917 174.990 -0.232 0.000 1.046 345 C CA -0.980 57.815 59.018 -0.371 0.000 1.249 345 C CB -0.371 27.121 27.740 -0.413 0.000 1.656 345 C HN 0.807 nan 8.230 nan 0.000 0.517 346 L N 4.149 125.316 121.223 -0.092 0.000 3.441 346 L HA 0.501 4.841 4.340 -0.000 0.000 0.363 346 L C 0.709 177.587 176.870 0.013 0.000 1.333 346 L CA 0.472 55.316 54.840 0.006 0.000 0.926 346 L CB -0.626 41.502 42.059 0.115 0.000 1.304 346 L HN 0.606 nan 8.230 nan 0.000 0.596 347 E N 0.029 120.201 120.200 -0.046 0.000 2.453 347 E HA 0.219 4.569 4.350 -0.000 0.000 0.211 347 E C 0.449 176.996 176.600 -0.088 0.000 0.897 347 E CA -0.050 56.319 56.400 -0.051 0.000 1.063 347 E CB 0.132 29.783 29.700 -0.082 0.000 1.080 347 E HN 0.599 nan 8.360 nan 0.000 0.512 348 M N 1.673 121.197 119.600 -0.127 0.000 2.250 348 M HA 0.235 4.715 4.480 -0.000 0.000 0.325 348 M C 0.409 176.630 176.300 -0.132 0.000 1.084 348 M CA 0.551 55.753 55.300 -0.163 0.000 1.161 348 M CB 0.565 33.007 32.600 -0.264 0.000 1.481 348 M HN -0.178 nan 8.290 nan 0.000 0.449 349 R N 0.885 121.312 120.500 -0.122 0.000 2.670 349 R HA 0.222 4.562 4.340 -0.000 0.000 0.289 349 R C -0.021 176.224 176.300 -0.092 0.000 0.965 349 R CA -0.942 55.105 56.100 -0.089 0.000 0.899 349 R CB 1.482 31.747 30.300 -0.059 0.000 1.173 349 R HN 0.654 nan 8.270 nan 0.000 0.456 350 D N 0.747 121.101 120.400 -0.076 0.000 2.172 350 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 350 D C 1.638 177.918 176.300 -0.034 0.000 0.999 350 D CA 2.175 56.142 54.000 -0.055 0.000 0.856 350 D CB 0.023 40.798 40.800 -0.042 0.000 0.934 350 D HN 0.547 nan 8.370 nan 0.000 0.453 351 S N 0.091 115.771 115.700 -0.033 0.000 2.515 351 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 351 S C 1.373 175.955 174.600 -0.029 0.000 0.987 351 S CA 0.411 58.596 58.200 -0.024 0.000 0.936 351 S CB -0.231 62.957 63.200 -0.020 0.000 0.766 351 S HN 0.299 nan 8.310 nan 0.000 0.528 352 E N 0.250 120.423 120.200 -0.045 0.000 2.476 352 E HA 0.193 4.543 4.350 -0.000 0.000 0.191 352 E C -0.048 176.528 176.600 -0.040 0.000 1.064 352 E CA -0.039 56.329 56.400 -0.053 0.000 0.866 352 E CB 0.118 29.769 29.700 -0.082 0.000 0.952 352 E HN 0.440 nan 8.360 nan 0.000 0.492 353 Q N 0.913 120.707 119.800 -0.011 0.000 2.312 353 Q HA 0.280 4.620 4.340 -0.000 0.000 0.263 353 Q C -2.564 173.462 176.000 0.043 0.000 0.995 353 Q CA -2.448 53.384 55.803 0.048 0.000 0.853 353 Q CB 1.480 30.281 28.738 0.104 0.000 1.300 353 Q HN -0.131 nan 8.270 nan 0.000 0.448 354 P HA -0.001 nan 4.420 nan 0.000 0.265 354 P C -0.412 176.870 177.300 -0.030 0.000 1.193 354 P CA 0.205 63.307 63.100 0.005 0.000 0.765 354 P CB 0.895 32.592 31.700 -0.006 0.000 0.823 355 A N 3.896 126.699 122.820 -0.029 0.000 1.978 355 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 355 A C 1.829 179.376 177.584 -0.062 0.000 1.170 355 A CA 1.778 53.797 52.037 -0.029 0.000 0.636 355 A CB -0.994 18.000 19.000 -0.010 0.000 0.810 355 A HN 0.745 nan 8.150 nan 0.000 0.448 356 E N -0.211 119.940 120.200 -0.082 0.000 2.333 356 E HA 0.023 4.373 4.350 -0.000 0.000 0.198 356 E C 1.626 178.048 176.600 -0.297 0.000 1.007 356 E CA 0.900 57.237 56.400 -0.105 0.000 0.845 356 E CB -0.311 29.340 29.700 -0.081 0.000 0.766 356 E HN 0.504 nan 8.360 nan 0.000 0.507 357 A N 1.216 123.802 122.820 -0.391 0.000 2.123 357 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 357 A C 0.926 178.020 177.584 -0.817 0.000 1.152 357 A CA 0.516 52.105 52.037 -0.746 0.000 0.728 357 A CB -0.058 18.646 19.000 -0.493 0.000 0.814 357 A HN 0.115 nan 8.150 nan 0.000 0.464 358 K N -0.456 119.729 120.400 -0.358 0.000 3.160 358 K HA -0.128 4.192 4.320 -0.000 0.000 0.280 358 K C 0.254 176.832 176.600 -0.036 0.000 1.154 358 K CA 0.919 57.130 56.287 -0.125 0.000 0.822 358 K CB -2.530 29.979 32.500 0.014 0.000 1.239 358 K HN 0.551 nan 8.250 nan 0.000 0.489 359 S N -0.322 115.371 115.700 -0.011 0.000 2.548 359 S HA 0.623 5.093 4.470 -0.000 0.000 0.277 359 S C 0.245 174.920 174.600 0.125 0.000 1.315 359 S CA 0.129 58.431 58.200 0.169 0.000 1.050 359 S CB 1.037 64.454 63.200 0.363 0.000 0.918 359 S HN 0.515 nan 8.310 nan 0.000 0.497 360 A N 6.644 129.523 122.820 0.099 0.000 3.365 360 A HA 0.472 4.792 4.320 -0.000 0.000 0.258 360 A C -1.536 175.915 177.584 -0.222 0.000 0.964 360 A CA -0.912 51.079 52.037 -0.076 0.000 0.988 360 A CB 0.524 19.470 19.000 -0.090 0.000 1.193 360 A HN 0.689 nan 8.150 nan 0.000 0.508 361 P HA -0.272 nan 4.420 nan 0.000 0.216 361 P C 1.252 178.418 177.300 -0.223 0.000 1.153 361 P CA 1.461 64.443 63.100 -0.197 0.000 0.858 361 P CB 0.276 31.770 31.700 -0.343 0.000 0.789 362 Q N -0.064 119.605 119.800 -0.218 0.000 2.050 362 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 362 Q C 2.206 177.989 176.000 -0.362 0.000 0.980 362 Q CA 1.522 57.179 55.803 -0.243 0.000 0.840 362 Q CB -0.485 28.145 28.738 -0.181 0.000 0.898 362 Q HN 0.274 nan 8.270 nan 0.000 0.424 363 E N 0.781 120.766 120.200 -0.358 0.000 2.204 363 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 363 E C 1.708 178.012 176.600 -0.493 0.000 0.989 363 E CA 0.491 56.663 56.400 -0.380 0.000 0.824 363 E CB -0.101 29.448 29.700 -0.251 0.000 0.756 363 E HN 0.244 nan 8.360 nan 0.000 0.477 364 L N 0.051 120.897 121.223 -0.629 0.000 1.988 364 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 364 L C 2.022 178.631 176.870 -0.436 0.000 1.071 364 L CA 1.176 55.692 54.840 -0.540 0.000 0.744 364 L CB -0.377 41.455 42.059 -0.378 0.000 0.893 364 L HN 0.078 nan 8.230 nan 0.000 0.433 365 V N 0.423 120.143 119.914 -0.322 0.000 2.317 365 V HA -0.391 3.729 4.120 -0.000 0.000 0.251 365 V C 2.579 178.367 176.094 -0.510 0.000 1.065 365 V CA 2.163 64.277 62.300 -0.309 0.000 1.049 365 V CB -0.653 31.100 31.823 -0.117 0.000 0.651 365 V HN 0.577 nan 8.190 nan 0.000 0.450 366 Q N -0.805 118.556 119.800 -0.731 0.000 2.050 366 Q HA -0.291 4.049 4.340 -0.000 0.000 0.202 366 Q C 2.401 178.147 176.000 -0.423 0.000 0.980 366 Q CA 2.015 57.219 55.803 -0.998 0.000 0.840 366 Q CB -0.274 27.859 28.738 -1.009 0.000 0.898 366 Q HN 0.684 nan 8.270 nan 0.000 0.424 367 Q N 0.421 120.019 119.800 -0.337 0.000 2.050 367 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 367 Q C 2.174 177.989 176.000 -0.307 0.000 0.980 367 Q CA 1.627 57.306 55.803 -0.208 0.000 0.840 367 Q CB 0.087 28.777 28.738 -0.081 0.000 0.898 367 Q HN 0.250 nan 8.270 nan 0.000 0.424 368 V N 1.353 120.928 119.914 -0.565 0.000 2.295 368 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 368 V C 2.408 178.143 176.094 -0.600 0.000 1.049 368 V CA 1.638 63.484 62.300 -0.757 0.000 1.024 368 V CB -0.611 30.369 31.823 -1.405 0.000 0.648 368 V HN 0.398 nan 8.190 nan 0.000 0.447 369 L N -0.359 120.515 121.223 -0.581 0.000 2.093 369 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 369 L C 2.626 179.101 176.870 -0.659 0.000 1.085 369 L CA 1.566 55.952 54.840 -0.757 0.000 0.755 369 L CB -0.846 40.830 42.059 -0.639 0.000 0.904 369 L HN 0.300 nan 8.230 nan 0.000 0.435 370 S N -0.240 115.388 115.700 -0.119 0.000 2.356 370 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 370 S C 2.183 176.813 174.600 0.050 0.000 1.032 370 S CA 1.621 59.944 58.200 0.205 0.000 1.005 370 S CB -0.112 63.194 63.200 0.177 0.000 0.867 370 S HN 0.356 nan 8.310 nan 0.000 0.449 371 S N 0.786 116.434 115.700 -0.086 0.000 2.453 371 S HA 0.030 4.499 4.470 -0.000 0.000 0.231 371 S C 2.011 176.568 174.600 -0.071 0.000 1.005 371 S CA 0.781 58.941 58.200 -0.066 0.000 0.949 371 S CB -0.463 62.705 63.200 -0.053 0.000 0.774 371 S HN 0.636 nan 8.310 nan 0.000 0.510 372 G N 0.705 109.397 108.800 -0.180 0.000 2.404 372 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.214 372 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.214 372 G C 1.007 175.880 174.900 -0.045 0.000 1.189 372 G CA 0.321 45.309 45.100 -0.186 0.000 0.789 372 G HN 0.478 nan 8.290 nan 0.000 0.533 373 W N 1.286 122.605 121.300 0.032 0.000 2.465 373 W HA 0.124 4.784 4.660 -0.000 0.000 0.268 373 W C 2.290 178.749 176.519 -0.099 0.000 1.242 373 W CA 0.703 58.046 57.345 -0.003 0.000 1.248 373 W CB -0.304 29.181 29.460 0.041 0.000 1.118 373 W HN 0.293 nan 8.180 nan 0.000 0.587 374 K N 0.045 120.536 120.400 0.151 0.000 2.288 374 K HA -0.093 4.227 4.320 -0.000 0.000 0.201 374 K C 1.173 177.691 176.600 -0.136 0.000 1.048 374 K CA 0.759 57.031 56.287 -0.025 0.000 0.956 374 K CB 0.023 32.521 32.500 -0.003 0.000 0.746 374 K HN -0.070 nan 8.250 nan 0.000 0.461 375 E N -0.025 120.162 120.200 -0.023 0.000 2.465 375 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 375 E C -0.825 175.921 176.600 0.242 0.000 1.028 375 E CA -0.277 56.187 56.400 0.106 0.000 0.899 375 E CB 0.107 29.856 29.700 0.082 0.000 1.032 375 E HN 0.217 nan 8.360 nan 0.000 0.468 376 Y N -0.115 120.269 120.300 0.140 0.000 3.125 376 Y HA -0.257 4.293 4.550 -0.000 0.000 0.200 376 Y C 0.432 176.413 175.900 0.135 0.000 1.373 376 Y CA 0.295 58.479 58.100 0.139 0.000 1.180 376 Y CB -2.275 36.245 38.460 0.102 0.000 1.381 376 Y HN 0.170 nan 8.280 nan 0.000 0.501 377 I N -3.707 117.002 120.570 0.231 0.000 3.042 377 I HA 0.746 4.916 4.170 -0.000 0.000 0.310 377 I C -0.172 176.078 176.117 0.221 0.000 1.117 377 I CA -1.415 60.000 61.300 0.191 0.000 1.003 377 I CB 2.072 40.143 38.000 0.119 0.000 1.228 377 I HN -0.233 nan 8.210 nan 0.000 0.443 378 D N 2.925 123.437 120.400 0.188 0.000 2.304 378 D HA 0.455 5.095 4.640 -0.000 0.000 0.250 378 D C -0.541 175.850 176.300 0.151 0.000 1.107 378 D CA 0.011 54.140 54.000 0.215 0.000 0.885 378 D CB 2.365 43.263 40.800 0.164 0.000 1.192 378 D HN 0.306 nan 8.370 nan 0.000 0.436 379 V N 1.367 121.393 119.914 0.187 0.000 2.495 379 V HA 0.752 4.872 4.120 -0.000 0.000 0.298 379 V C 0.310 176.480 176.094 0.127 0.000 1.031 379 V CA -0.638 61.689 62.300 0.044 0.000 0.871 379 V CB 1.440 33.122 31.823 -0.235 0.000 0.988 379 V HN 0.709 nan 8.190 nan 0.000 0.432 380 A N 3.006 125.885 122.820 0.097 0.000 2.437 380 A HA 1.088 5.408 4.320 -0.000 0.000 0.288 380 A C 0.022 177.680 177.584 0.124 0.000 1.201 380 A CA -0.147 51.964 52.037 0.123 0.000 0.795 380 A CB 2.068 21.130 19.000 0.103 0.000 1.359 380 A HN 1.415 nan 8.150 nan 0.000 0.435 381 G N -1.241 107.638 108.800 0.131 0.000 2.554 381 G HA2 0.636 4.596 3.960 -0.000 0.000 0.306 381 G HA3 0.636 4.596 3.960 -0.000 0.000 0.306 381 G C -1.547 173.417 174.900 0.108 0.000 1.320 381 G CA 0.041 45.213 45.100 0.120 0.000 0.800 381 G HN 1.189 nan 8.290 nan 0.000 0.481 382 E N -1.021 119.219 120.200 0.067 0.000 2.439 382 E HA 0.341 4.691 4.350 -0.000 0.000 0.279 382 E C -1.173 175.435 176.600 0.013 0.000 1.077 382 E CA -1.119 55.322 56.400 0.068 0.000 0.849 382 E CB 1.168 30.892 29.700 0.040 0.000 1.408 382 E HN 0.594 nan 8.360 nan 0.000 0.457 383 N N -0.095 118.609 118.700 0.007 0.000 2.493 383 N HA 0.335 5.075 4.740 -0.000 0.000 0.275 383 N C 0.089 175.538 175.510 -0.101 0.000 1.186 383 N CA 0.029 53.047 53.050 -0.054 0.000 0.978 383 N CB 1.742 40.192 38.487 -0.061 0.000 1.184 383 N HN 0.569 nan 8.380 nan 0.000 0.487 384 A N 0.992 123.741 122.820 -0.119 0.000 1.924 384 A HA 0.260 4.580 4.320 -0.000 0.000 0.211 384 A C 0.948 178.466 177.584 -0.111 0.000 1.198 384 A CA 0.388 52.362 52.037 -0.106 0.000 0.657 384 A CB -0.025 18.918 19.000 -0.095 0.000 0.852 384 A HN 0.609 nan 8.150 nan 0.000 0.454 385 L N 0.475 121.612 121.223 -0.143 0.000 2.333 385 L HA 0.411 4.751 4.340 -0.000 0.000 0.269 385 L C -2.513 174.229 176.870 -0.214 0.000 1.010 385 L CA -2.529 52.219 54.840 -0.153 0.000 0.818 385 L CB 1.956 43.924 42.059 -0.151 0.000 1.306 385 L HN 0.034 nan 8.230 nan 0.000 0.430 386 P HA 0.244 nan 4.420 nan 0.000 0.271 386 P C -1.264 175.761 177.300 -0.457 0.000 1.216 386 P CA -0.186 62.696 63.100 -0.363 0.000 0.771 386 P CB 0.893 32.440 31.700 -0.254 0.000 0.864 387 R N 2.143 122.251 120.500 -0.652 0.000 2.643 387 R HA 0.385 4.725 4.340 -0.000 0.000 0.269 387 R C -0.657 175.168 176.300 -0.791 0.000 1.037 387 R CA -0.545 55.180 56.100 -0.625 0.000 0.894 387 R CB 1.580 31.648 30.300 -0.388 0.000 1.238 387 R HN 0.436 nan 8.270 nan 0.000 0.459 388 Y N -0.632 119.587 120.300 -0.135 0.000 2.717 388 Y HA 0.131 4.681 4.550 -0.000 0.000 0.250 388 Y C 0.000 175.772 175.900 -0.213 0.000 1.149 388 Y CA -0.860 57.185 58.100 -0.092 0.000 1.211 388 Y CB 0.654 39.160 38.460 0.077 0.000 1.289 388 Y HN 0.500 nan 8.280 nan 0.000 0.552 389 D N 0.177 120.417 120.400 -0.266 0.000 2.277 389 D HA 0.360 5.000 4.640 -0.000 0.000 0.250 389 D C 1.056 177.175 176.300 -0.302 0.000 1.032 389 D CA -0.119 53.771 54.000 -0.182 0.000 0.947 389 D CB 2.185 42.914 40.800 -0.118 0.000 1.159 389 D HN 0.083 nan 8.370 nan 0.000 0.460 390 A N 1.279 124.065 122.820 -0.057 0.000 2.067 390 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 390 A C 2.029 179.600 177.584 -0.022 0.000 1.158 390 A CA 1.398 53.461 52.037 0.042 0.000 0.661 390 A CB -0.771 18.276 19.000 0.079 0.000 0.801 390 A HN 0.676 nan 8.150 nan 0.000 0.452 391 T N 0.253 114.762 114.554 -0.074 0.000 2.708 391 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 391 T C 2.251 176.892 174.700 -0.099 0.000 1.037 391 T CA 1.589 63.650 62.100 -0.064 0.000 1.146 391 T CB -0.374 68.453 68.868 -0.068 0.000 0.865 391 T HN 0.588 nan 8.240 nan 0.000 0.435 392 A N 0.261 122.956 122.820 -0.209 0.000 1.898 392 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 392 A C 2.048 179.501 177.584 -0.219 0.000 1.181 392 A CA 1.160 53.047 52.037 -0.250 0.000 0.620 392 A CB -1.060 17.713 19.000 -0.379 0.000 0.819 392 A HN 0.662 nan 8.150 nan 0.000 0.442 393 Y N 0.241 120.407 120.300 -0.223 0.000 2.274 393 Y HA -0.206 4.344 4.550 -0.000 0.000 0.290 393 Y C 2.477 178.330 175.900 -0.078 0.000 1.145 393 Y CA 0.818 58.696 58.100 -0.371 0.000 1.203 393 Y CB -0.116 38.118 38.460 -0.376 0.000 0.984 393 Y HN 0.331 nan 8.280 nan 0.000 0.533 394 N N -0.288 118.483 118.700 0.118 0.000 2.216 394 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 394 N C 1.783 177.356 175.510 0.105 0.000 1.017 394 N CA 0.757 53.875 53.050 0.114 0.000 0.861 394 N CB -0.275 38.260 38.487 0.079 0.000 0.986 394 N HN 0.350 nan 8.380 nan 0.000 0.428 395 Q N 0.736 120.577 119.800 0.069 0.000 2.050 395 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 395 Q C 2.093 178.167 176.000 0.123 0.000 0.980 395 Q CA 0.992 56.842 55.803 0.078 0.000 0.840 395 Q CB -0.233 28.520 28.738 0.025 0.000 0.898 395 Q HN 0.432 nan 8.270 nan 0.000 0.424 396 M N -0.079 119.596 119.600 0.124 0.000 2.149 396 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 396 M C 2.215 178.646 176.300 0.219 0.000 1.064 396 M CA 1.180 56.591 55.300 0.185 0.000 1.102 396 M CB -0.331 32.404 32.600 0.225 0.000 1.369 396 M HN 0.145 nan 8.290 nan 0.000 0.408 397 L N -0.163 121.196 121.223 0.226 0.000 2.131 397 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 397 L C 2.399 179.333 176.870 0.106 0.000 1.092 397 L CA 0.774 55.712 54.840 0.164 0.000 0.759 397 L CB -0.476 41.678 42.059 0.157 0.000 0.903 397 L HN 0.374 nan 8.230 nan 0.000 0.435 398 L N -0.048 121.255 121.223 0.134 0.000 2.005 398 L HA -0.238 4.102 4.340 -0.000 0.000 0.207 398 L C 2.545 179.499 176.870 0.139 0.000 1.072 398 L CA 1.628 56.549 54.840 0.135 0.000 0.744 398 L CB -0.139 42.043 42.059 0.204 0.000 0.895 398 L HN 0.208 nan 8.230 nan 0.000 0.433 399 K N -0.212 120.339 120.400 0.250 0.000 2.209 399 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 399 K C 1.923 178.655 176.600 0.221 0.000 1.048 399 K CA 1.066 57.560 56.287 0.344 0.000 0.940 399 K CB -0.129 32.594 32.500 0.371 0.000 0.729 399 K HN 0.311 nan 8.250 nan 0.000 0.451 400 L N 0.277 121.583 121.223 0.138 0.000 2.291 400 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 400 L C 0.593 177.459 176.870 -0.007 0.000 1.120 400 L CA 0.986 55.883 54.840 0.094 0.000 0.799 400 L CB 0.015 42.104 42.059 0.050 0.000 0.925 400 L HN 0.021 nan 8.230 nan 0.000 0.446 401 R N -1.232 119.213 120.500 -0.091 0.000 2.818 401 R HA 0.195 4.535 4.340 -0.000 0.000 0.258 401 R C -2.149 173.928 176.300 -0.372 0.000 1.797 401 R CA -1.222 54.733 56.100 -0.241 0.000 1.532 401 R CB 0.788 30.961 30.300 -0.212 0.000 1.413 401 R HN -0.156 nan 8.270 nan 0.000 0.622 402 P HA -0.147 nan 4.420 nan 0.000 0.220 402 P C 0.124 176.949 177.300 -0.791 0.000 1.144 402 P CA 1.239 63.776 63.100 -0.939 0.000 0.800 402 P CB 0.254 30.936 31.700 -1.697 0.000 0.772 403 N N -1.294 116.896 118.700 -0.849 0.000 2.416 403 N HA 0.278 5.018 4.740 -0.000 0.000 0.267 403 N C 0.656 175.470 175.510 -1.159 0.000 1.294 403 N CA 0.463 52.710 53.050 -1.338 0.000 0.891 403 N CB 0.188 38.190 38.487 -0.808 0.000 1.238 403 N HN 0.004 nan 8.380 nan 0.000 0.508 404 G N 0.108 108.467 108.800 -0.735 0.000 2.633 404 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.263 404 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.263 404 G C 0.016 174.757 174.900 -0.266 0.000 1.310 404 G CA 0.010 44.903 45.100 -0.345 0.000 0.914 404 G HN 0.526 nan 8.290 nan 0.000 0.569 405 V N -1.634 118.190 119.914 -0.150 0.000 2.953 405 V HA 0.724 4.844 4.120 -0.000 0.000 0.304 405 V C 0.420 176.445 176.094 -0.116 0.000 1.073 405 V CA -0.248 61.977 62.300 -0.124 0.000 1.064 405 V CB 1.860 33.637 31.823 -0.078 0.000 1.047 405 V HN 1.265 nan 8.190 nan 0.000 0.478 406 N N 2.846 121.480 118.700 -0.110 0.000 2.518 406 N HA 0.324 5.064 4.740 -0.000 0.000 0.254 406 N C 0.131 175.600 175.510 -0.068 0.000 0.979 406 N CA -0.680 52.313 53.050 -0.096 0.000 0.930 406 N CB 1.330 39.745 38.487 -0.120 0.000 1.152 406 N HN 0.618 nan 8.380 nan 0.000 0.505 407 L N 2.577 123.770 121.223 -0.051 0.000 2.551 407 L HA 0.133 4.473 4.340 -0.000 0.000 0.228 407 L C 1.174 178.020 176.870 -0.040 0.000 1.153 407 L CA 0.775 55.592 54.840 -0.040 0.000 0.851 407 L CB -0.772 41.270 42.059 -0.029 0.000 0.959 407 L HN 0.577 nan 8.230 nan 0.000 0.451 408 N N -0.644 118.028 118.700 -0.046 0.000 2.280 408 N HA 0.220 4.960 4.740 -0.000 0.000 0.192 408 N C 0.953 176.434 175.510 -0.049 0.000 1.109 408 N CA 0.844 53.868 53.050 -0.043 0.000 0.855 408 N CB 1.641 40.103 38.487 -0.042 0.000 0.974 408 N HN 0.350 nan 8.380 nan 0.000 0.482 409 G N 0.536 109.301 108.800 -0.058 0.000 2.356 409 G HA2 0.025 3.985 3.960 -0.000 0.000 0.266 409 G HA3 0.025 3.985 3.960 -0.000 0.000 0.266 409 G C -3.182 171.672 174.900 -0.077 0.000 1.312 409 G CA -0.899 44.164 45.100 -0.062 0.000 0.922 409 G HN -0.178 nan 8.290 nan 0.000 0.480 410 P HA 0.244 nan 4.420 nan 0.000 0.265 410 P C -2.029 175.185 177.300 -0.142 0.000 1.193 410 P CA -0.518 62.521 63.100 -0.102 0.000 0.765 410 P CB 0.332 31.975 31.700 -0.095 0.000 0.823 411 P HA -0.047 nan 4.420 nan 0.000 0.271 411 P C 0.710 177.833 177.300 -0.295 0.000 1.238 411 P CA -0.025 62.935 63.100 -0.234 0.000 0.794 411 P CB 0.983 32.526 31.700 -0.262 0.000 0.959 412 K N 0.156 120.348 120.400 -0.346 0.000 2.062 412 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 412 K C 0.298 176.533 176.600 -0.607 0.000 1.051 412 K CA 0.987 57.029 56.287 -0.409 0.000 0.941 412 K CB -0.072 32.195 32.500 -0.388 0.000 0.719 412 K HN 0.391 nan 8.250 nan 0.000 0.440 413 L N 1.387 122.187 121.223 -0.705 0.000 2.385 413 L HA 0.457 4.797 4.340 -0.000 0.000 0.273 413 L C -0.698 175.681 176.870 -0.819 0.000 0.990 413 L CA -0.857 53.340 54.840 -1.072 0.000 0.821 413 L CB 2.005 43.395 42.059 -1.114 0.000 1.279 413 L HN -0.051 nan 8.230 nan 0.000 0.412 414 K N 3.908 123.811 120.400 -0.828 0.000 2.569 414 K HA 0.450 4.770 4.320 -0.000 0.000 0.259 414 K C -1.533 175.057 176.600 -0.016 0.000 0.932 414 K CA -0.558 55.532 56.287 -0.328 0.000 0.833 414 K CB 2.510 34.863 32.500 -0.246 0.000 1.340 414 K HN 0.577 nan 8.250 nan 0.000 0.429 415 M N 1.921 121.626 119.600 0.175 0.000 2.250 415 M HA 0.056 4.536 4.480 -0.000 0.000 0.344 415 M C 1.514 177.918 176.300 0.174 0.000 1.150 415 M CA 0.084 55.561 55.300 0.295 0.000 1.147 415 M CB 1.225 33.979 32.600 0.258 0.000 1.498 415 M HN 0.731 nan 8.290 nan 0.000 0.461 416 S N 0.306 116.121 115.700 0.192 0.000 2.562 416 S HA 0.310 4.780 4.470 -0.000 0.000 0.221 416 S C 0.585 175.279 174.600 0.158 0.000 0.975 416 S CA 0.208 58.498 58.200 0.150 0.000 0.918 416 S CB -0.164 63.126 63.200 0.149 0.000 0.772 416 S HN 0.975 nan 8.310 nan 0.000 0.531 417 G N -0.085 108.815 108.800 0.166 0.000 2.355 417 G HA2 0.463 4.423 3.960 -0.000 0.000 0.296 417 G HA3 0.463 4.423 3.960 -0.000 0.000 0.296 417 G C -2.287 172.731 174.900 0.197 0.000 1.507 417 G CA -0.839 44.381 45.100 0.200 0.000 0.823 417 G HN 0.510 nan 8.290 nan 0.000 0.569 418 L N 0.412 121.768 121.223 0.222 0.000 2.493 418 L HA 0.777 5.117 4.340 -0.000 0.000 0.265 418 L C -0.713 176.340 176.870 0.306 0.000 0.954 418 L CA -0.529 54.446 54.840 0.224 0.000 0.844 418 L CB 2.375 44.550 42.059 0.192 0.000 1.302 418 L HN 0.623 nan 8.230 nan 0.000 0.405 419 T N 3.208 117.931 114.554 0.283 0.000 2.758 419 T HA 0.278 4.628 4.350 -0.000 0.000 0.285 419 T C -0.948 173.941 174.700 0.315 0.000 0.981 419 T CA -0.082 62.205 62.100 0.312 0.000 0.965 419 T CB 0.645 69.626 68.868 0.188 0.000 0.927 419 T HN 0.386 nan 8.240 nan 0.000 0.448 420 Y N 5.563 126.021 120.300 0.263 0.000 2.402 420 Y HA 0.286 4.836 4.550 -0.000 0.000 0.333 420 Y C 1.360 177.365 175.900 0.175 0.000 1.076 420 Y CA -1.370 56.893 58.100 0.272 0.000 1.299 420 Y CB 0.114 38.844 38.460 0.450 0.000 1.197 420 Y HN 0.663 nan 8.280 nan 0.000 0.517 421 L N 2.646 123.578 121.223 -0.485 0.000 2.252 421 L HA -0.291 4.049 4.340 -0.000 0.000 0.246 421 L C 0.408 177.121 176.870 -0.261 0.000 1.123 421 L CA 2.183 56.752 54.840 -0.452 0.000 0.844 421 L CB -0.941 40.712 42.059 -0.676 0.000 0.970 421 L HN 0.750 nan 8.230 nan 0.000 0.440 422 R N -1.437 118.878 120.500 -0.308 0.000 2.736 422 R HA 0.452 4.792 4.340 -0.000 0.000 0.250 422 R C -1.683 174.647 176.300 0.050 0.000 1.098 422 R CA -0.712 55.359 56.100 -0.048 0.000 0.978 422 R CB 0.785 31.069 30.300 -0.027 0.000 1.263 422 R HN 0.360 nan 8.270 nan 0.000 0.460 423 L N 3.370 124.659 121.223 0.110 0.000 2.455 423 L HA 0.430 4.770 4.340 -0.000 0.000 0.272 423 L C -0.720 176.198 176.870 0.080 0.000 1.174 423 L CA 1.138 56.043 54.840 0.108 0.000 0.869 423 L CB 0.924 43.039 42.059 0.094 0.000 1.130 423 L HN 0.777 nan 8.230 nan 0.000 0.474 424 S N 2.115 117.860 115.700 0.074 0.000 2.643 424 S HA 0.260 4.730 4.470 -0.000 0.000 0.270 424 S C 0.278 174.885 174.600 0.013 0.000 1.166 424 S CA -0.243 57.991 58.200 0.056 0.000 0.815 424 S CB 0.709 63.965 63.200 0.092 0.000 1.139 424 S HN 0.739 nan 8.310 nan 0.000 0.472 425 D N 0.456 120.853 120.400 -0.004 0.000 2.117 425 D HA -0.155 4.484 4.640 -0.000 0.000 0.197 425 D C 0.672 176.932 176.300 -0.066 0.000 0.987 425 D CA 1.812 55.789 54.000 -0.038 0.000 0.829 425 D CB -0.382 40.401 40.800 -0.028 0.000 0.961 425 D HN 0.624 nan 8.370 nan 0.000 0.460 426 D N -0.111 120.245 120.400 -0.073 0.000 2.309 426 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 426 D C 1.707 177.813 176.300 -0.324 0.000 0.968 426 D CA 0.327 54.210 54.000 -0.196 0.000 0.882 426 D CB 0.074 40.749 40.800 -0.207 0.000 0.918 426 D HN 0.258 nan 8.370 nan 0.000 0.503 427 L N -0.593 120.566 121.223 -0.106 0.000 2.269 427 L HA 0.179 4.518 4.340 -0.000 0.000 0.200 427 L C 1.372 178.249 176.870 0.011 0.000 1.069 427 L CA 0.987 55.838 54.840 0.019 0.000 0.804 427 L CB -0.348 41.847 42.059 0.225 0.000 0.987 427 L HN -0.082 nan 8.230 nan 0.000 0.468 428 L N 0.646 121.820 121.223 -0.081 0.000 2.633 428 L HA 0.040 4.380 4.340 -0.000 0.000 0.235 428 L C 1.097 177.888 176.870 -0.132 0.000 1.163 428 L CA 0.766 55.465 54.840 -0.234 0.000 0.859 428 L CB -1.128 40.761 42.059 -0.284 0.000 0.973 428 L HN 0.524 nan 8.230 nan 0.000 0.451 429 Q N -1.044 118.725 119.800 -0.051 0.000 2.286 429 Q HA -0.052 4.287 4.340 -0.000 0.000 0.267 429 Q C 1.554 177.588 176.000 0.057 0.000 1.028 429 Q CA 0.704 56.492 55.803 -0.025 0.000 0.901 429 Q CB 0.982 29.684 28.738 -0.060 0.000 1.183 429 Q HN 0.278 nan 8.270 nan 0.000 0.392 430 T N 3.263 117.856 114.554 0.065 0.000 2.719 430 T HA -0.358 3.992 4.350 -0.000 0.000 0.254 430 T C 0.975 175.753 174.700 0.130 0.000 1.106 430 T CA 2.487 64.657 62.100 0.117 0.000 1.146 430 T CB -0.365 68.544 68.868 0.069 0.000 0.839 430 T HN 0.921 nan 8.240 nan 0.000 0.473 431 D N 0.183 120.630 120.400 0.080 0.000 2.119 431 D HA -0.061 4.579 4.640 -0.000 0.000 0.199 431 D C 2.183 178.550 176.300 0.111 0.000 0.987 431 D CA 1.839 55.882 54.000 0.072 0.000 0.858 431 D CB -0.850 39.971 40.800 0.035 0.000 1.008 431 D HN 0.701 nan 8.370 nan 0.000 0.450 432 N N -0.790 117.970 118.700 0.100 0.000 2.049 432 N HA -0.239 4.501 4.740 -0.000 0.000 0.198 432 N C 1.760 177.435 175.510 0.275 0.000 1.030 432 N CA 0.922 54.071 53.050 0.166 0.000 0.870 432 N CB -0.357 38.156 38.487 0.044 0.000 1.045 432 N HN 0.108 nan 8.380 nan 0.000 0.434 433 F N 2.124 122.127 119.950 0.088 0.000 2.373 433 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 433 F C 2.056 177.953 175.800 0.162 0.000 1.080 433 F CA 1.079 59.152 58.000 0.122 0.000 1.417 433 F CB -0.005 39.030 39.000 0.059 0.000 1.070 433 F HN 0.026 nan 8.300 nan 0.000 0.546 434 E N 0.101 120.359 120.200 0.096 0.000 2.021 434 E HA -0.140 4.210 4.350 -0.000 0.000 0.189 434 E C 2.585 179.171 176.600 -0.022 0.000 0.980 434 E CA 0.763 57.155 56.400 -0.013 0.000 0.803 434 E CB -1.009 28.714 29.700 0.039 0.000 0.766 434 E HN 0.385 nan 8.360 nan 0.000 0.449 435 L N 0.348 121.617 121.223 0.078 0.000 2.081 435 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 435 L C 2.440 179.293 176.870 -0.029 0.000 1.080 435 L CA 1.166 56.062 54.840 0.094 0.000 0.754 435 L CB -0.268 41.948 42.059 0.263 0.000 0.893 435 L HN 0.077 nan 8.230 nan 0.000 0.433 436 F N 1.602 121.461 119.950 -0.151 0.000 2.046 436 F HA -0.327 4.200 4.527 -0.000 0.000 0.297 436 F C 2.587 178.168 175.800 -0.366 0.000 1.123 436 F CA 2.377 60.187 58.000 -0.316 0.000 1.199 436 F CB -0.348 38.555 39.000 -0.162 0.000 0.972 436 F HN 0.082 nan 8.300 nan 0.000 0.474 437 K N 0.118 120.282 120.400 -0.393 0.000 2.281 437 K HA -0.183 4.137 4.320 -0.000 0.000 0.203 437 K C 1.775 178.136 176.600 -0.399 0.000 1.046 437 K CA 1.538 57.546 56.287 -0.466 0.000 0.938 437 K CB -0.343 31.904 32.500 -0.421 0.000 0.737 437 K HN 0.192 nan 8.250 nan 0.000 0.458 438 K N 0.421 120.633 120.400 -0.313 0.000 2.031 438 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 438 K C 2.034 178.449 176.600 -0.308 0.000 1.049 438 K CA 1.218 57.361 56.287 -0.240 0.000 0.939 438 K CB -0.474 31.945 32.500 -0.135 0.000 0.717 438 K HN 0.242 nan 8.250 nan 0.000 0.438 439 F N 2.499 122.085 119.950 -0.607 0.000 2.171 439 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 439 F C 1.927 177.303 175.800 -0.706 0.000 1.090 439 F CA 0.948 58.521 58.000 -0.712 0.000 1.293 439 F CB -0.403 37.853 39.000 -1.241 0.000 1.013 439 F HN -0.293 nan 8.300 nan 0.000 0.486 440 V N 0.626 119.887 119.914 -1.088 0.000 2.407 440 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 440 V C 2.457 177.973 176.094 -0.962 0.000 1.055 440 V CA 2.154 63.752 62.300 -1.170 0.000 1.049 440 V CB -0.832 30.452 31.823 -0.897 0.000 0.662 440 V HN 0.250 nan 8.190 nan 0.000 0.455 441 K N 0.759 120.799 120.400 -0.601 0.000 2.026 441 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 441 K C 2.080 178.468 176.600 -0.353 0.000 1.048 441 K CA 1.446 57.511 56.287 -0.370 0.000 0.929 441 K CB -0.296 32.061 32.500 -0.238 0.000 0.713 441 K HN 0.174 nan 8.250 nan 0.000 0.439 442 K N 0.045 120.227 120.400 -0.364 0.000 2.209 442 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 442 K C 1.973 178.360 176.600 -0.355 0.000 1.048 442 K CA 0.964 57.087 56.287 -0.272 0.000 0.940 442 K CB -0.210 32.185 32.500 -0.176 0.000 0.729 442 K HN 0.266 nan 8.250 nan 0.000 0.451 443 M N 0.297 119.526 119.600 -0.618 0.000 2.175 443 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 443 M C 1.209 177.182 176.300 -0.545 0.000 1.063 443 M CA 1.484 56.383 55.300 -0.669 0.000 1.119 443 M CB -0.765 31.207 32.600 -1.046 0.000 1.377 443 M HN 0.132 nan 8.290 nan 0.000 0.415 444 H N -0.038 118.695 119.070 -0.563 0.000 2.533 444 H HA 0.407 4.962 4.556 -0.000 0.000 0.271 444 H C 0.674 175.833 175.328 -0.281 0.000 1.000 444 H CA 0.310 55.975 56.048 -0.638 0.000 1.149 444 H CB -0.418 29.017 29.762 -0.546 0.000 1.375 444 H HN 0.354 nan 8.280 nan 0.000 0.582 445 A N 1.449 124.184 122.820 -0.141 0.000 2.667 445 A HA -0.239 4.081 4.320 -0.000 0.000 0.298 445 A C 0.325 177.882 177.584 -0.046 0.000 1.483 445 A CA 0.736 52.724 52.037 -0.083 0.000 0.738 445 A CB -2.097 16.872 19.000 -0.051 0.000 1.067 445 A HN 0.560 nan 8.150 nan 0.000 0.451 446 D N -2.777 117.584 120.400 -0.066 0.000 2.983 446 D HA -0.213 4.427 4.640 -0.000 0.000 0.225 446 D C 0.248 176.542 176.300 -0.010 0.000 1.174 446 D CA 1.901 55.874 54.000 -0.046 0.000 0.831 446 D CB -1.205 39.568 40.800 -0.044 0.000 1.104 446 D HN 0.816 nan 8.370 nan 0.000 0.421 447 L N 0.141 121.384 121.223 0.033 0.000 2.365 447 L HA 0.337 4.677 4.340 -0.000 0.000 0.267 447 L C 1.030 177.943 176.870 0.071 0.000 1.033 447 L CA -0.723 54.152 54.840 0.059 0.000 0.802 447 L CB 0.933 43.065 42.059 0.121 0.000 1.267 447 L HN -0.215 nan 8.230 nan 0.000 0.457 448 D N 1.169 121.591 120.400 0.037 0.000 2.225 448 D HA 0.256 4.896 4.640 -0.000 0.000 0.249 448 D C -2.212 174.092 176.300 0.006 0.000 1.052 448 D CA -0.967 53.045 54.000 0.021 0.000 0.909 448 D CB 1.050 41.843 40.800 -0.012 0.000 1.186 448 D HN 0.245 nan 8.370 nan 0.000 0.431 449 P HA -0.040 nan 4.420 nan 0.000 0.266 449 P C -0.668 176.544 177.300 -0.147 0.000 1.186 449 P CA 0.025 63.071 63.100 -0.089 0.000 0.767 449 P CB 0.529 32.220 31.700 -0.014 0.000 0.820 450 S N 2.236 117.776 115.700 -0.266 0.000 2.539 450 S HA 0.425 4.895 4.470 -0.000 0.000 0.235 450 S C -0.692 173.768 174.600 -0.232 0.000 1.326 450 S CA -0.555 57.452 58.200 -0.323 0.000 1.183 450 S CB 1.130 63.982 63.200 -0.580 0.000 1.073 450 S HN 0.440 nan 8.310 nan 0.000 0.480 451 P HA -0.019 nan 4.420 nan 0.000 0.234 451 P C 0.892 178.145 177.300 -0.079 0.000 1.162 451 P CA 1.336 64.389 63.100 -0.078 0.000 0.759 451 P CB -0.988 nan 31.700 nan 0.000 0.813 452 N N -1.095 117.532 118.700 -0.122 0.000 2.434 452 N HA 0.470 5.210 4.740 -0.000 0.000 0.196 452 N C 0.999 176.451 175.510 -0.096 0.000 1.183 452 N CA 0.991 53.980 53.050 -0.101 0.000 0.849 452 N CB -0.694 nan 38.487 nan 0.000 0.992 452 N HN 0.749 nan 8.380 nan 0.000 0.460 453 A N -2.006 120.759 122.820 -0.091 0.000 2.466 453 A HA 0.090 4.410 4.320 -0.000 0.000 0.295 453 A C 0.872 178.407 177.584 -0.081 0.000 1.465 453 A CA 0.709 52.717 52.037 -0.047 0.000 0.744 453 A CB -2.793 nan 19.000 nan 0.000 1.098 453 A HN 2.018 nan 8.150 nan 0.000 0.402 454 I N -1.732 118.724 120.570 -0.191 0.000 2.754 454 I HA 0.755 4.925 4.170 -0.000 0.000 0.285 454 I C 1.783 177.850 176.117 -0.083 0.000 1.166 454 I CA 1.343 62.522 61.300 -0.202 0.000 1.417 454 I CB -0.365 nan 38.000 nan 0.000 1.382 454 I HN 2.778 nan 8.210 nan 0.000 0.588 455 S N 2.855 118.527 115.700 -0.046 0.000 4.158 455 S HA -0.180 4.290 4.470 -0.000 0.000 0.603 455 S C 0.737 175.355 174.600 0.029 0.000 1.866 455 S CA 1.852 60.058 58.200 0.010 0.000 4.250 455 S CB -2.460 nan 63.200 nan 0.000 0.203 455 S HN 2.333 nan 8.310 nan 0.000 0.455 456 P HA 0.604 nan 4.420 nan 0.000 0.234 456 P C 0.686 178.018 177.300 0.054 0.000 1.162 456 P CA 2.346 65.493 63.100 0.078 0.000 0.759 456 P CB -1.335 nan 31.700 nan 0.000 0.813 457 A N -0.444 122.391 122.820 0.025 0.000 2.500 457 A HA 0.342 4.662 4.320 -0.000 0.000 0.286 457 A C 0.927 178.520 177.584 0.014 0.000 1.170 457 A CA 0.531 52.572 52.037 0.008 0.000 0.951 457 A CB -1.876 nan 19.000 nan 0.000 0.965 457 A HN 1.034 nan 8.150 nan 0.000 0.551 458 V N 3.588 123.515 119.914 0.021 0.000 2.996 458 V HA 0.099 4.219 4.120 -0.000 0.000 0.289 458 V C 0.505 176.606 176.094 0.012 0.000 1.171 458 V CA 1.544 63.854 62.300 0.017 0.000 1.298 458 V CB -1.333 nan 31.823 nan 0.000 0.803 458 V HN 0.828 nan 8.190 nan 0.000 0.448 459 L N 3.132 124.363 121.223 0.014 0.000 2.399 459 L HA 0.717 5.057 4.340 -0.000 0.000 0.265 459 L C 0.423 177.298 176.870 0.008 0.000 1.089 459 L CA -0.876 53.968 54.840 0.007 0.000 0.802 459 L CB 0.644 42.708 42.059 0.007 0.000 1.180 459 L HN 0.677 nan 8.230 nan 0.000 0.454 460 E N 0.410 120.610 120.200 -0.000 0.000 2.415 460 E HA 0.119 4.469 4.350 -0.000 0.000 0.263 460 E C -0.393 176.204 176.600 -0.005 0.000 0.995 460 E CA -0.270 56.132 56.400 0.002 0.000 0.915 460 E CB 0.402 30.098 29.700 -0.006 0.000 0.951 460 E HN 0.246 nan 8.360 nan 0.000 0.449 461 R N 2.237 122.750 120.500 0.022 0.000 2.370 461 R HA 0.079 4.419 4.340 -0.000 0.000 0.309 461 R C -0.916 175.385 176.300 0.002 0.000 1.059 461 R CA 0.239 56.361 56.100 0.037 0.000 0.981 461 R CB 0.248 30.605 30.300 0.096 0.000 0.972 461 R HN 0.345 nan 8.270 nan 0.000 0.437 462 S N 3.297 118.945 115.700 -0.087 0.000 2.585 462 S HA 0.199 4.669 4.470 -0.000 0.000 0.277 462 S C -0.029 174.590 174.600 0.031 0.000 1.241 462 S CA -0.722 57.381 58.200 -0.162 0.000 1.041 462 S CB 0.728 63.599 63.200 -0.548 0.000 0.987 462 S HN 0.773 nan 8.310 nan 0.000 0.512 463 N N 1.170 119.906 118.700 0.059 0.000 2.407 463 N HA 0.006 4.746 4.740 -0.000 0.000 0.250 463 N C -0.147 175.507 175.510 0.239 0.000 1.236 463 N CA -0.049 53.079 53.050 0.131 0.000 0.879 463 N CB 0.408 38.943 38.487 0.080 0.000 1.088 463 N HN 0.466 nan 8.380 nan 0.000 0.450 464 S N 1.064 116.898 115.700 0.223 0.000 2.576 464 S HA 0.240 4.710 4.470 -0.000 0.000 0.272 464 S C 0.588 175.231 174.600 0.071 0.000 1.352 464 S CA -0.554 57.735 58.200 0.148 0.000 1.021 464 S CB 1.387 64.681 63.200 0.158 0.000 0.887 464 S HN 0.702 nan 8.310 nan 0.000 0.542 465 A N 1.700 124.493 122.820 -0.046 0.000 3.293 465 A HA 0.721 5.041 4.320 -0.000 0.000 0.163 465 A C -0.072 177.482 177.584 -0.050 0.000 2.052 465 A CA -0.303 51.713 52.037 -0.035 0.000 1.062 465 A CB -0.098 18.855 19.000 -0.078 0.000 1.908 465 A HN 0.723 nan 8.150 nan 0.000 0.790 466 I N -0.204 120.332 120.570 -0.058 0.000 2.610 466 I HA 0.276 4.445 4.170 -0.000 0.000 0.289 466 I C -0.038 176.052 176.117 -0.045 0.000 1.163 466 I CA -0.623 60.654 61.300 -0.038 0.000 1.044 466 I CB 2.235 40.230 38.000 -0.009 0.000 1.251 466 I HN 0.726 nan 8.210 nan 0.000 0.424 467 T N 3.798 118.327 114.554 -0.040 0.000 2.689 467 T HA 0.744 5.094 4.350 -0.000 0.000 0.308 467 T C -0.090 174.605 174.700 -0.007 0.000 1.021 467 T CA -0.391 61.691 62.100 -0.029 0.000 0.973 467 T CB 1.614 70.474 68.868 -0.014 0.000 1.113 467 T HN 0.466 nan 8.240 nan 0.000 0.522 468 I N -0.723 119.846 120.570 -0.001 0.000 2.793 468 I HA 0.133 4.303 4.170 -0.000 0.000 0.295 468 I C -0.608 175.516 176.117 0.011 0.000 1.610 468 I CA -0.741 60.564 61.300 0.008 0.000 0.986 468 I CB 2.585 40.589 38.000 0.007 0.000 1.402 468 I HN 0.735 nan 8.210 nan 0.000 0.500 469 D N 3.152 123.562 120.400 0.017 0.000 2.652 469 D HA -0.048 4.592 4.640 -0.000 0.000 0.247 469 D C 0.592 176.903 176.300 0.017 0.000 1.232 469 D CA 0.455 54.466 54.000 0.019 0.000 0.863 469 D CB 0.350 41.166 40.800 0.026 0.000 1.023 469 D HN 0.355 nan 8.370 nan 0.000 0.474 470 E N -0.057 120.151 120.200 0.013 0.000 2.394 470 E HA 0.079 4.429 4.350 -0.000 0.000 0.191 470 E C 1.601 178.208 176.600 0.011 0.000 1.044 470 E CA -0.036 56.372 56.400 0.013 0.000 0.939 470 E CB -0.267 29.440 29.700 0.011 0.000 1.089 470 E HN 0.440 nan 8.360 nan 0.000 0.456 471 L N -0.268 120.960 121.223 0.010 0.000 2.156 471 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 471 L C 1.900 178.774 176.870 0.007 0.000 1.095 471 L CA 0.444 55.289 54.840 0.009 0.000 0.770 471 L CB -0.463 41.601 42.059 0.009 0.000 0.914 471 L HN 0.243 nan 8.230 nan 0.000 0.439 472 M N 0.431 120.036 119.600 0.009 0.000 2.331 472 M HA -0.251 4.229 4.480 -0.000 0.000 0.260 472 M C 2.192 178.493 176.300 0.001 0.000 1.072 472 M CA 1.809 57.113 55.300 0.007 0.000 1.065 472 M CB -1.077 31.532 32.600 0.016 0.000 1.392 472 M HN 0.463 nan 8.290 nan 0.000 0.427 473 E N 0.618 120.821 120.200 0.006 0.000 2.106 473 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 473 E C 1.925 178.524 176.600 -0.000 0.000 0.984 473 E CA 1.373 57.776 56.400 0.005 0.000 0.806 473 E CB -0.296 29.410 29.700 0.011 0.000 0.750 473 E HN 0.387 nan 8.360 nan 0.000 0.458 474 A N 1.013 123.834 122.820 0.001 0.000 2.125 474 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 474 A C 2.339 179.912 177.584 -0.017 0.000 1.156 474 A CA 1.697 53.734 52.037 -0.001 0.000 0.671 474 A CB -1.128 17.876 19.000 0.006 0.000 0.794 474 A HN 0.522 nan 8.150 nan 0.000 0.459 475 T N -2.309 112.227 114.554 -0.031 0.000 3.194 475 T HA 0.103 4.453 4.350 -0.000 0.000 0.251 475 T C 0.517 175.180 174.700 -0.062 0.000 1.132 475 T CA -0.192 61.872 62.100 -0.060 0.000 1.028 475 T CB -0.287 68.529 68.868 -0.087 0.000 0.976 475 T HN 0.204 nan 8.240 nan 0.000 0.535 476 K N 2.543 122.919 120.400 -0.040 0.000 2.416 476 K HA 0.300 4.619 4.320 -0.000 0.000 0.283 476 K C 1.014 177.590 176.600 -0.040 0.000 1.037 476 K CA -0.032 56.234 56.287 -0.036 0.000 0.995 476 K CB 0.636 33.124 32.500 -0.021 0.000 0.938 476 K HN 0.414 nan 8.250 nan 0.000 0.475 477 G N 1.218 109.991 108.800 -0.045 0.000 2.559 477 G HA2 0.122 4.082 3.960 -0.000 0.000 0.235 477 G HA3 0.122 4.082 3.960 -0.000 0.000 0.235 477 G C -0.308 174.570 174.900 -0.037 0.000 1.266 477 G CA -0.085 44.990 45.100 -0.042 0.000 0.847 477 G HN 0.445 nan 8.290 nan 0.000 0.583 478 S N -0.194 115.481 115.700 -0.042 0.000 2.570 478 S HA 0.493 4.963 4.470 -0.000 0.000 0.270 478 S C -0.351 174.211 174.600 -0.062 0.000 1.149 478 S CA -0.847 57.320 58.200 -0.056 0.000 0.837 478 S CB 1.277 64.430 63.200 -0.077 0.000 1.124 478 S HN 0.642 nan 8.310 nan 0.000 0.465 479 R N 2.570 123.026 120.500 -0.073 0.000 2.347 479 R HA 0.348 4.688 4.340 -0.000 0.000 0.304 479 R C -2.136 174.091 176.300 -0.123 0.000 1.072 479 R CA -1.449 54.613 56.100 -0.062 0.000 0.980 479 R CB 0.555 30.832 30.300 -0.038 0.000 0.986 479 R HN 0.482 nan 8.270 nan 0.000 0.448 480 P HA 0.018 nan 4.420 nan 0.000 0.274 480 P C -0.524 176.791 177.300 0.025 0.000 1.237 480 P CA -0.141 62.923 63.100 -0.061 0.000 0.793 480 P CB 0.535 32.242 31.700 0.013 0.000 0.977 481 F N 1.048 121.154 119.950 0.260 0.000 2.545 481 F HA 0.147 4.673 4.527 -0.000 0.000 0.348 481 F C -1.347 174.664 175.800 0.352 0.000 1.163 481 F CA -1.313 56.842 58.000 0.258 0.000 1.331 481 F CB -0.650 38.497 39.000 0.246 0.000 1.138 481 F HN 0.176 nan 8.300 nan 0.000 0.602 482 P HA -0.016 nan 4.420 nan 0.000 0.276 482 P C -0.900 176.684 177.300 0.473 0.000 1.235 482 P CA -0.249 63.091 63.100 0.399 0.000 0.772 482 P CB 0.479 32.343 31.700 0.273 0.000 0.871 483 W N 3.402 124.811 121.300 0.182 0.000 2.438 483 W HA 0.224 4.884 4.660 -0.000 0.000 0.324 483 W C -0.102 176.578 176.519 0.270 0.000 1.119 483 W CA -0.272 57.187 57.345 0.190 0.000 1.221 483 W CB 0.890 30.435 29.460 0.143 0.000 1.253 483 W HN 0.353 nan 8.180 nan 0.000 0.555 484 Y N 1.662 122.029 120.300 0.113 0.000 2.385 484 Y HA -0.121 4.429 4.550 -0.000 0.000 0.346 484 Y C 1.399 177.396 175.900 0.161 0.000 1.270 484 Y CA 0.336 58.487 58.100 0.085 0.000 1.472 484 Y CB 0.315 38.776 38.460 0.001 0.000 1.354 484 Y HN 0.420 nan 8.280 nan 0.000 0.611 485 D N -0.192 120.322 120.400 0.191 0.000 2.137 485 D HA -0.008 4.632 4.640 -0.000 0.000 0.202 485 D C -0.230 176.154 176.300 0.141 0.000 0.970 485 D CA 1.171 55.252 54.000 0.135 0.000 0.837 485 D CB 0.303 41.127 40.800 0.040 0.000 0.981 485 D HN 0.215 nan 8.370 nan 0.000 0.475 486 V N -3.104 116.889 119.914 0.132 0.000 3.141 486 V HA 0.581 4.701 4.120 -0.000 0.000 0.312 486 V C 0.157 176.341 176.094 0.150 0.000 1.157 486 V CA -1.012 61.359 62.300 0.119 0.000 1.041 486 V CB 1.182 33.047 31.823 0.070 0.000 1.071 486 V HN -0.079 nan 8.190 nan 0.000 0.441 487 T N 0.834 115.458 114.554 0.117 0.000 2.856 487 T HA 0.121 4.471 4.350 -0.000 0.000 0.306 487 T C 0.614 175.371 174.700 0.096 0.000 1.062 487 T CA 0.389 62.552 62.100 0.104 0.000 1.083 487 T CB 0.774 69.691 68.868 0.083 0.000 0.984 487 T HN 0.929 nan 8.240 nan 0.000 0.542 488 D N 0.595 121.040 120.400 0.076 0.000 2.149 488 D HA 0.011 4.651 4.640 -0.000 0.000 0.206 488 D C 0.597 176.914 176.300 0.029 0.000 0.967 488 D CA 0.971 55.008 54.000 0.062 0.000 0.848 488 D CB 0.210 41.024 40.800 0.024 0.000 0.998 488 D HN 0.426 nan 8.370 nan 0.000 0.474 489 M N 2.312 121.919 119.600 0.012 0.000 2.808 489 M HA 0.303 4.783 4.480 -0.000 0.000 0.225 489 M C -2.513 173.792 176.300 0.009 0.000 1.103 489 M CA -1.613 53.684 55.300 -0.004 0.000 0.982 489 M CB 1.391 33.969 32.600 -0.036 0.000 1.314 489 M HN -0.195 nan 8.290 nan 0.000 0.505 490 P HA 0.061 nan 4.420 nan 0.000 0.272 490 P C 1.184 178.502 177.300 0.030 0.000 1.223 490 P CA -0.127 62.998 63.100 0.041 0.000 0.784 490 P CB 1.205 32.929 31.700 0.040 0.000 0.923 491 V N -0.980 118.967 119.914 0.054 0.000 2.358 491 V HA -0.081 4.038 4.120 -0.000 0.000 0.246 491 V C 0.700 176.809 176.094 0.024 0.000 1.047 491 V CA 1.857 64.180 62.300 0.038 0.000 1.035 491 V CB -1.153 30.721 31.823 0.086 0.000 0.658 491 V HN 0.320 nan 8.190 nan 0.000 0.452 492 D N 0.885 121.307 120.400 0.036 0.000 2.980 492 D HA 0.600 5.240 4.640 -0.000 0.000 0.333 492 D C 0.301 176.613 176.300 0.021 0.000 1.356 492 D CA 0.784 54.800 54.000 0.026 0.000 0.847 492 D CB 0.640 41.461 40.800 0.035 0.000 1.122 492 D HN 0.679 nan 8.370 nan 0.000 0.475 493 G N -0.772 108.038 108.800 0.016 0.000 2.687 493 G HA2 0.548 4.508 3.960 -0.000 0.000 0.291 493 G HA3 0.548 4.508 3.960 -0.000 0.000 0.291 493 G C -0.730 174.174 174.900 0.008 0.000 1.420 493 G CA -0.571 44.538 45.100 0.013 0.000 0.796 493 G HN 0.070 nan 8.290 nan 0.000 0.485 494 S N -1.621 114.083 115.700 0.007 0.000 2.766 494 S HA 0.432 4.902 4.470 -0.000 0.000 0.307 494 S C 0.250 174.854 174.600 0.006 0.000 1.121 494 S CA -0.521 57.681 58.200 0.004 0.000 0.980 494 S CB 0.976 64.177 63.200 0.001 0.000 1.159 494 S HN 1.035 nan 8.310 nan 0.000 0.546 495 N N 1.248 119.951 118.700 0.004 0.000 2.381 495 N HA 0.074 4.814 4.740 -0.000 0.000 0.288 495 N C -1.496 174.019 175.510 0.008 0.000 1.346 495 N CA -0.990 52.064 53.050 0.007 0.000 0.970 495 N CB -0.096 38.393 38.487 0.004 0.000 1.351 495 N HN 0.517 nan 8.380 nan 0.000 0.488 496 P HA -0.141 nan 4.420 nan 0.000 0.228 496 P C 0.607 177.906 177.300 -0.002 0.000 1.151 496 P CA 1.029 64.133 63.100 0.007 0.000 0.770 496 P CB -0.266 31.442 31.700 0.013 0.000 0.786 497 F N -2.885 117.068 119.950 0.005 0.000 2.852 497 F HA 0.153 4.680 4.527 -0.000 0.000 0.289 497 F C 0.286 176.080 175.800 -0.009 0.000 0.780 497 F CA 0.784 58.783 58.000 -0.001 0.000 1.431 497 F CB -2.440 nan 39.000 nan 0.000 1.567 497 F HN 0.627 nan 8.300 nan 0.000 0.437 498 D N 0.000 120.411 120.400 0.019 0.000 6.856 498 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 498 D CA 0.000 54.003 54.000 0.005 0.000 0.868 498 D CB 0.000 nan 40.800 nan 0.000 0.688 498 D HN 0.000 nan 8.370 nan 0.000 0.683