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 1j7e_1_A DATA FIRST_RESID 7 DATA SEQUENCE YEKNKVcKEF SHLGKEDFTS LSLVLYSRKF PSGTFEQVSQ LVKEVVSLTE DATA SEQUENCE ACcXXXXXXX XXDTRTSALS AKScXXXSPF PVHPGTAEcc TKXXXXRKLc DATA SEQUENCE MAALKHQPQE FPTYVEPTND EIcEAFRKDP KEYANQFMWE YSTNYGQAPL DATA SEQUENCE SLLVSYTKSY LSMVGSccTS ASPTVcFLKE RLQLKHLSLL TTLSNRVcSQ DATA SEQUENCE YAAYGEKKSR LSNLIKLAQK VPTADLEDVL PLAEDITNIL SKccESASED DATA SEQUENCE cMAKELPEHT VKLcDNLSTK NSKFEDccQE KTAMDVFVcT YFMPAAQLPE DATA SEQUENCE LPDVELPTNK DVcDPGNTKV MDKYTFELSR RTHLPEVFLS KVLEPTLKSL DATA SEQUENCE GEccDVEDST TcFNAKGPLL KKELSSFIDK GQELcADYSE NTFTEYKKKL DATA SEQUENCE AERLKAKLPD ATPTELAKLV NKRSDFASNc cSINSPPLYc DSEIDAELKN DATA SEQUENCE I 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 7 Y HA 0.000 nan 4.550 nan 0.000 0.201 7 Y C 0.000 175.913 175.900 0.021 0.000 1.272 7 Y CA 0.000 58.110 58.100 0.016 0.000 1.940 7 Y CB 0.000 38.468 38.460 0.014 0.000 1.050 8 E N 1.612 121.589 120.200 -0.372 0.000 2.333 8 E HA -0.123 4.227 4.350 -0.000 0.000 0.198 8 E C 1.011 177.499 176.600 -0.187 0.000 1.007 8 E CA 1.117 57.265 56.400 -0.419 0.000 0.845 8 E CB -0.026 29.589 29.700 -0.141 0.000 0.766 8 E HN 0.518 nan 8.360 nan 0.000 0.507 9 K N -0.997 119.347 120.400 -0.092 0.000 2.585 9 K HA -0.102 4.218 4.320 -0.000 0.000 0.194 9 K C 1.332 177.894 176.600 -0.064 0.000 1.037 9 K CA 1.014 57.272 56.287 -0.048 0.000 0.964 9 K CB -0.142 32.351 32.500 -0.012 0.000 0.787 9 K HN 0.222 nan 8.250 nan 0.000 0.488 10 N N 0.891 119.524 118.700 -0.112 0.000 2.118 10 N HA 0.020 4.760 4.740 -0.000 0.000 0.226 10 N C 1.360 176.792 175.510 -0.130 0.000 1.305 10 N CA -0.106 52.889 53.050 -0.092 0.000 0.890 10 N CB 0.264 38.716 38.487 -0.058 0.000 1.118 10 N HN -0.071 nan 8.380 nan 0.000 0.511 11 K N 0.504 120.769 120.400 -0.226 0.000 2.262 11 K HA 0.230 4.550 4.320 -0.000 0.000 0.200 11 K C 1.533 178.099 176.600 -0.056 0.000 1.049 11 K CA 1.210 57.359 56.287 -0.229 0.000 0.979 11 K CB -0.164 32.059 32.500 -0.461 0.000 0.773 11 K HN 0.171 nan 8.250 nan 0.000 0.474 12 V N 0.139 120.039 119.914 -0.024 0.000 2.379 12 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 12 V C 2.221 178.358 176.094 0.072 0.000 1.044 12 V CA 1.690 64.042 62.300 0.088 0.000 1.036 12 V CB -0.510 31.351 31.823 0.064 0.000 0.664 12 V HN 0.396 nan 8.190 nan 0.000 0.453 13 c N 0.178 118.775 118.600 -0.005 0.000 2.467 13 c HA 0.015 4.585 4.570 -0.000 0.000 0.279 13 c C 3.168 177.300 174.090 0.070 0.000 1.347 13 c CA 0.934 57.257 56.329 -0.011 0.000 1.748 13 c CB -1.092 41.395 42.510 -0.037 0.000 1.977 13 c HN 0.671 nan 8.230 nan 0.000 0.501 14 K N 1.176 121.606 120.400 0.051 0.000 2.057 14 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 14 K C 1.605 178.276 176.600 0.118 0.000 1.050 14 K CA 1.657 57.985 56.287 0.069 0.000 0.935 14 K CB -0.770 31.745 32.500 0.026 0.000 0.715 14 K HN 0.706 nan 8.250 nan 0.000 0.439 15 E N -1.164 119.121 120.200 0.142 0.000 2.274 15 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 15 E C 1.828 178.599 176.600 0.286 0.000 0.996 15 E CA 0.683 57.206 56.400 0.206 0.000 0.840 15 E CB -0.183 29.662 29.700 0.240 0.000 0.772 15 E HN 0.587 nan 8.360 nan 0.000 0.491 16 F N 1.654 121.580 119.950 -0.041 0.000 2.060 16 F HA -0.167 4.360 4.527 -0.000 0.000 0.295 16 F C 2.310 178.033 175.800 -0.129 0.000 1.120 16 F CA 1.497 59.251 58.000 -0.409 0.000 1.205 16 F CB -0.277 38.269 39.000 -0.756 0.000 0.986 16 F HN -0.172 nan 8.300 nan 0.000 0.470 17 S N -0.652 115.005 115.700 -0.072 0.000 2.382 17 S HA -0.243 4.227 4.470 -0.000 0.000 0.228 17 S C 2.079 176.633 174.600 -0.078 0.000 1.027 17 S CA 1.231 59.359 58.200 -0.119 0.000 0.991 17 S CB -0.807 62.415 63.200 0.037 0.000 0.823 17 S HN 0.585 nan 8.310 nan 0.000 0.469 18 H N 0.628 119.664 119.070 -0.058 0.000 2.423 18 H HA 0.067 4.623 4.556 -0.000 0.000 0.297 18 H C 1.468 176.775 175.328 -0.035 0.000 1.075 18 H CA 1.135 57.167 56.048 -0.027 0.000 1.342 18 H CB 0.003 29.774 29.762 0.016 0.000 1.395 18 H HN 0.263 nan 8.280 nan 0.000 0.530 19 L N -0.609 120.708 121.223 0.156 0.000 2.425 19 L HA 0.279 4.619 4.340 -0.000 0.000 0.215 19 L C 1.115 177.961 176.870 -0.041 0.000 1.065 19 L CA 0.990 55.903 54.840 0.121 0.000 0.842 19 L CB -0.020 42.165 42.059 0.211 0.000 1.033 19 L HN 0.478 nan 8.230 nan 0.000 0.474 20 G N 0.225 108.884 108.800 -0.234 0.000 2.690 20 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 20 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 20 G C 0.466 175.170 174.900 -0.326 0.000 1.277 20 G CA -0.006 44.882 45.100 -0.352 0.000 0.799 20 G HN 0.289 nan 8.290 nan 0.000 0.613 21 K N 0.475 120.665 120.400 -0.351 0.000 2.074 21 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 21 K C 2.006 178.703 176.600 0.163 0.000 1.048 21 K CA 2.543 58.834 56.287 0.006 0.000 0.926 21 K CB -0.292 32.286 32.500 0.131 0.000 0.713 21 K HN 0.738 nan 8.250 nan 0.000 0.444 22 E N 0.643 120.896 120.200 0.088 0.000 2.017 22 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 22 E C 1.323 178.000 176.600 0.128 0.000 0.997 22 E CA 1.749 58.214 56.400 0.108 0.000 0.804 22 E CB -0.211 29.532 29.700 0.073 0.000 0.757 22 E HN 0.417 nan 8.360 nan 0.000 0.448 23 D N -0.513 119.953 120.400 0.110 0.000 2.178 23 D HA -0.126 4.514 4.640 -0.000 0.000 0.202 23 D C 1.417 177.810 176.300 0.154 0.000 0.974 23 D CA 0.666 54.735 54.000 0.116 0.000 0.841 23 D CB -0.190 40.668 40.800 0.097 0.000 0.953 23 D HN 0.227 nan 8.370 nan 0.000 0.478 24 F N 0.422 120.403 119.950 0.051 0.000 2.502 24 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 24 F C 1.906 177.790 175.800 0.140 0.000 1.111 24 F CA 0.913 58.976 58.000 0.105 0.000 1.445 24 F CB 0.074 39.163 39.000 0.148 0.000 1.081 24 F HN -0.167 nan 8.300 nan 0.000 0.558 25 T N -1.216 113.469 114.554 0.218 0.000 2.978 25 T HA -0.070 4.280 4.350 -0.000 0.000 0.262 25 T C 2.121 176.864 174.700 0.071 0.000 1.063 25 T CA 1.288 63.476 62.100 0.147 0.000 1.140 25 T CB -0.108 68.869 68.868 0.182 0.000 0.886 25 T HN 0.169 nan 8.240 nan 0.000 0.470 26 S N 1.457 117.203 115.700 0.076 0.000 2.406 26 S HA 0.031 4.500 4.470 -0.000 0.000 0.228 26 S C 1.875 176.492 174.600 0.029 0.000 1.020 26 S CA 0.433 58.678 58.200 0.076 0.000 0.965 26 S CB -0.300 62.955 63.200 0.091 0.000 0.798 26 S HN 0.273 nan 8.310 nan 0.000 0.488 27 L N 1.759 122.959 121.223 -0.039 0.000 2.027 27 L HA 0.047 4.387 4.340 -0.000 0.000 0.206 27 L C 2.118 178.911 176.870 -0.128 0.000 1.074 27 L CA 1.769 56.550 54.840 -0.099 0.000 0.745 27 L CB -1.066 40.888 42.059 -0.174 0.000 0.898 27 L HN 0.108 nan 8.230 nan 0.000 0.433 28 S N -0.309 115.280 115.700 -0.185 0.000 2.399 28 S HA -0.148 4.321 4.470 -0.000 0.000 0.231 28 S C 1.815 176.504 174.600 0.149 0.000 1.022 28 S CA 1.450 59.620 58.200 -0.049 0.000 0.983 28 S CB -0.533 62.652 63.200 -0.026 0.000 0.803 28 S HN 0.431 nan 8.310 nan 0.000 0.480 29 L N 1.624 122.912 121.223 0.108 0.000 2.056 29 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 29 L C 2.178 179.140 176.870 0.152 0.000 1.078 29 L CA 1.526 56.465 54.840 0.165 0.000 0.749 29 L CB -0.672 41.482 42.059 0.159 0.000 0.901 29 L HN 0.120 nan 8.230 nan 0.000 0.433 30 V N -0.747 119.210 119.914 0.072 0.000 2.307 30 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 30 V C 2.459 178.539 176.094 -0.023 0.000 1.045 30 V CA 1.571 63.886 62.300 0.025 0.000 1.024 30 V CB -0.676 31.145 31.823 -0.002 0.000 0.651 30 V HN 0.452 nan 8.190 nan 0.000 0.449 31 L N -0.542 120.629 121.223 -0.087 0.000 2.013 31 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 31 L C 2.249 178.940 176.870 -0.299 0.000 1.073 31 L CA 2.228 56.928 54.840 -0.234 0.000 0.753 31 L CB -0.787 41.052 42.059 -0.367 0.000 0.890 31 L HN 0.386 nan 8.230 nan 0.000 0.432 32 Y N -1.348 118.966 120.300 0.023 0.000 2.420 32 Y HA -0.032 4.518 4.550 -0.000 0.000 0.292 32 Y C 2.681 178.676 175.900 0.159 0.000 1.119 32 Y CA 1.113 59.280 58.100 0.111 0.000 1.229 32 Y CB -0.555 37.994 38.460 0.149 0.000 1.026 32 Y HN 0.133 nan 8.280 nan 0.000 0.554 33 S N -0.071 115.765 115.700 0.226 0.000 2.382 33 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 33 S C 2.001 176.600 174.600 -0.002 0.000 1.027 33 S CA 1.151 59.447 58.200 0.159 0.000 0.991 33 S CB -0.189 63.055 63.200 0.073 0.000 0.823 33 S HN 0.442 nan 8.310 nan 0.000 0.469 34 R N 1.216 121.669 120.500 -0.078 0.000 2.096 34 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 34 R C 2.256 178.337 176.300 -0.365 0.000 1.127 34 R CA 1.076 57.076 56.100 -0.167 0.000 0.968 34 R CB -0.182 30.026 30.300 -0.153 0.000 0.861 34 R HN 0.336 nan 8.270 nan 0.000 0.440 35 K N -0.155 119.998 120.400 -0.412 0.000 2.155 35 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 35 K C 0.042 176.148 176.600 -0.823 0.000 1.052 35 K CA 0.866 56.685 56.287 -0.780 0.000 0.948 35 K CB 0.197 32.313 32.500 -0.640 0.000 0.728 35 K HN 0.065 nan 8.250 nan 0.000 0.448 36 F N 0.529 120.411 119.950 -0.114 0.000 2.371 36 F HA 0.262 4.789 4.527 -0.000 0.000 0.343 36 F C -2.036 173.768 175.800 0.006 0.000 1.150 36 F CA -2.429 55.535 58.000 -0.059 0.000 1.220 36 F CB 1.379 40.333 39.000 -0.077 0.000 1.475 36 F HN -0.145 nan 8.300 nan 0.000 0.521 37 P HA -0.151 nan 4.420 nan 0.000 0.217 37 P C 1.241 178.602 177.300 0.102 0.000 1.148 37 P CA 1.414 64.553 63.100 0.065 0.000 0.828 37 P CB 0.283 32.039 31.700 0.092 0.000 0.783 38 S N -1.486 114.318 115.700 0.172 0.000 2.575 38 S HA 0.188 4.658 4.470 -0.000 0.000 0.215 38 S C 1.216 175.947 174.600 0.218 0.000 0.966 38 S CA 0.002 58.307 58.200 0.175 0.000 0.911 38 S CB -0.467 62.830 63.200 0.161 0.000 0.780 38 S HN 0.184 nan 8.310 nan 0.000 0.514 39 G N 2.723 111.687 108.800 0.273 0.000 2.398 39 G HA2 0.356 4.316 3.960 -0.000 0.000 0.246 39 G HA3 0.356 4.316 3.960 -0.000 0.000 0.246 39 G C 0.286 175.427 174.900 0.402 0.000 1.289 39 G CA -0.275 44.981 45.100 0.259 0.000 0.869 39 G HN 0.325 nan 8.290 nan 0.000 0.543 40 T N 0.060 114.746 114.554 0.220 0.000 2.849 40 T HA 0.213 4.563 4.350 -0.000 0.000 0.284 40 T C 1.231 175.845 174.700 -0.142 0.000 1.004 40 T CA -0.490 61.703 62.100 0.155 0.000 1.021 40 T CB 0.880 69.763 68.868 0.024 0.000 1.013 40 T HN 0.340 nan 8.240 nan 0.000 0.527 41 F N 1.233 120.639 119.950 -0.908 0.000 2.095 41 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 41 F C 2.349 177.809 175.800 -0.566 0.000 1.104 41 F CA 2.152 59.340 58.000 -1.354 0.000 1.232 41 F CB -0.579 37.557 39.000 -1.440 0.000 0.987 41 F HN 0.790 nan 8.300 nan 0.000 0.475 42 E N 0.366 120.285 120.200 -0.468 0.000 2.058 42 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 42 E C 2.186 178.585 176.600 -0.335 0.000 0.997 42 E CA 1.983 58.144 56.400 -0.400 0.000 0.801 42 E CB -0.458 29.125 29.700 -0.194 0.000 0.746 42 E HN 0.629 nan 8.360 nan 0.000 0.450 43 Q N -0.377 119.283 119.800 -0.234 0.000 2.002 43 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 43 Q C 2.343 178.237 176.000 -0.177 0.000 0.988 43 Q CA 1.993 57.699 55.803 -0.162 0.000 0.843 43 Q CB -0.337 28.326 28.738 -0.124 0.000 0.908 43 Q HN 0.207 nan 8.270 nan 0.000 0.420 44 V N 0.966 120.773 119.914 -0.180 0.000 2.332 44 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 44 V C 2.250 178.236 176.094 -0.179 0.000 1.055 44 V CA 2.090 64.325 62.300 -0.109 0.000 1.038 44 V CB -0.680 31.235 31.823 0.153 0.000 0.651 44 V HN 0.313 nan 8.190 nan 0.000 0.450 45 S N -0.736 114.754 115.700 -0.350 0.000 2.399 45 S HA -0.269 4.200 4.470 -0.000 0.000 0.231 45 S C 1.974 176.446 174.600 -0.213 0.000 1.022 45 S CA 1.655 59.642 58.200 -0.355 0.000 0.983 45 S CB -0.315 62.476 63.200 -0.681 0.000 0.803 45 S HN 0.601 nan 8.310 nan 0.000 0.480 46 Q N 1.367 121.061 119.800 -0.177 0.000 2.046 46 Q HA 0.012 4.352 4.340 -0.000 0.000 0.200 46 Q C 2.070 178.080 176.000 0.017 0.000 0.975 46 Q CA 1.125 56.900 55.803 -0.046 0.000 0.836 46 Q CB -0.713 28.019 28.738 -0.010 0.000 0.896 46 Q HN 0.432 nan 8.270 nan 0.000 0.428 47 L N -0.384 120.797 121.223 -0.070 0.000 2.042 47 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 47 L C 2.025 178.635 176.870 -0.434 0.000 1.076 47 L CA 1.628 56.205 54.840 -0.439 0.000 0.749 47 L CB -0.716 40.961 42.059 -0.637 0.000 0.893 47 L HN 0.159 nan 8.230 nan 0.000 0.432 48 V N 0.007 119.738 119.914 -0.306 0.000 2.358 48 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 48 V C 2.637 178.679 176.094 -0.086 0.000 1.047 48 V CA 1.833 64.015 62.300 -0.196 0.000 1.035 48 V CB -0.812 30.977 31.823 -0.057 0.000 0.658 48 V HN 0.572 nan 8.190 nan 0.000 0.452 49 K N 1.448 121.809 120.400 -0.064 0.000 2.034 49 K HA -0.264 4.056 4.320 -0.000 0.000 0.214 49 K C 1.893 178.490 176.600 -0.005 0.000 1.051 49 K CA 2.405 58.684 56.287 -0.013 0.000 0.931 49 K CB -0.511 31.982 32.500 -0.012 0.000 0.715 49 K HN 0.578 nan 8.250 nan 0.000 0.446 50 E N -0.311 119.869 120.200 -0.032 0.000 2.158 50 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 50 E C 2.012 178.567 176.600 -0.074 0.000 0.982 50 E CA 0.912 57.291 56.400 -0.034 0.000 0.823 50 E CB 0.070 29.774 29.700 0.007 0.000 0.766 50 E HN 0.104 nan 8.360 nan 0.000 0.468 51 V N 1.038 120.869 119.914 -0.138 0.000 2.261 51 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 51 V C 2.338 178.460 176.094 0.047 0.000 1.047 51 V CA 1.403 63.648 62.300 -0.092 0.000 1.015 51 V CB -0.367 31.350 31.823 -0.177 0.000 0.642 51 V HN 0.135 nan 8.190 nan 0.000 0.446 52 V N -0.200 119.787 119.914 0.122 0.000 2.332 52 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 52 V C 2.705 178.832 176.094 0.054 0.000 1.055 52 V CA 2.295 64.739 62.300 0.240 0.000 1.038 52 V CB -0.787 31.234 31.823 0.330 0.000 0.651 52 V HN 0.655 nan 8.190 nan 0.000 0.450 53 S N 0.923 116.640 115.700 0.029 0.000 2.368 53 S HA -0.254 4.216 4.470 -0.000 0.000 0.226 53 S C 1.960 176.522 174.600 -0.064 0.000 1.044 53 S CA 2.519 60.713 58.200 -0.010 0.000 1.062 53 S CB -0.404 62.795 63.200 -0.002 0.000 0.931 53 S HN 0.605 nan 8.310 nan 0.000 0.440 54 L N 0.264 121.448 121.223 -0.064 0.000 2.179 54 L HA 0.248 4.588 4.340 -0.000 0.000 0.208 54 L C 2.191 178.970 176.870 -0.151 0.000 1.096 54 L CA 2.012 56.800 54.840 -0.086 0.000 0.779 54 L CB -1.679 40.347 42.059 -0.055 0.000 0.922 54 L HN 0.113 nan 8.230 nan 0.000 0.443 55 T N -0.315 114.135 114.554 -0.174 0.000 2.929 55 T HA -0.161 4.189 4.350 -0.000 0.000 0.271 55 T C 1.679 175.962 174.700 -0.695 0.000 1.085 55 T CA 1.666 63.576 62.100 -0.318 0.000 1.125 55 T CB -0.177 68.574 68.868 -0.195 0.000 0.874 55 T HN 0.631 nan 8.240 nan 0.000 0.494 56 E N 0.641 120.447 120.200 -0.657 0.000 2.086 56 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 56 E C 2.368 178.753 176.600 -0.359 0.000 0.975 56 E CA 0.681 56.630 56.400 -0.753 0.000 0.813 56 E CB -0.129 29.364 29.700 -0.344 0.000 0.768 56 E HN 0.436 nan 8.360 nan 0.000 0.457 57 A N 0.622 123.310 122.820 -0.221 0.000 1.832 57 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 57 A C 2.104 179.612 177.584 -0.126 0.000 1.200 57 A CA 1.217 53.176 52.037 -0.129 0.000 0.610 57 A CB -0.730 18.219 19.000 -0.085 0.000 0.842 57 A HN 0.489 nan 8.150 nan 0.000 0.444 58 C N -0.019 119.202 119.300 -0.132 0.000 2.399 58 C HA 0.380 4.840 4.460 -0.000 0.000 0.348 58 C C 0.724 175.640 174.990 -0.123 0.000 1.318 58 C CA -1.110 57.846 59.018 -0.104 0.000 1.621 58 C CB -2.884 24.808 27.740 -0.081 0.000 1.683 58 C HN 0.508 nan 8.230 nan 0.000 0.595 70 T N 0.214 114.765 114.554 -0.006 0.000 2.746 70 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 70 T C 1.883 176.581 174.700 -0.003 0.000 1.039 70 T CA 1.743 63.841 62.100 -0.004 0.000 1.142 70 T CB -0.406 68.457 68.868 -0.008 0.000 0.866 70 T HN 0.314 nan 8.240 nan 0.000 0.444 71 R N 0.177 120.673 120.500 -0.007 0.000 2.334 71 R HA 0.269 4.608 4.340 -0.000 0.000 0.212 71 R C 1.775 178.072 176.300 -0.004 0.000 0.897 71 R CA 0.310 56.407 56.100 -0.005 0.000 1.056 71 R CB -0.654 29.639 30.300 -0.012 0.000 1.046 71 R HN 0.222 nan 8.270 nan 0.000 0.513 72 T N 0.773 115.324 114.554 -0.005 0.000 3.007 72 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 72 T C 1.715 176.419 174.700 0.006 0.000 1.107 72 T CA 1.671 63.769 62.100 -0.003 0.000 1.118 72 T CB 0.013 68.882 68.868 0.003 0.000 0.889 72 T HN 0.307 nan 8.240 nan 0.000 0.506 73 S N 0.678 116.384 115.700 0.010 0.000 2.425 73 S HA 0.152 4.622 4.470 -0.000 0.000 0.225 73 S C 2.394 177.009 174.600 0.025 0.000 1.024 73 S CA 0.774 58.984 58.200 0.018 0.000 0.951 73 S CB -0.330 62.879 63.200 0.015 0.000 0.796 73 S HN 0.497 nan 8.310 nan 0.000 0.498 74 A N 1.712 124.545 122.820 0.023 0.000 1.940 74 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 74 A C 2.118 179.739 177.584 0.062 0.000 1.176 74 A CA 1.325 53.383 52.037 0.035 0.000 0.631 74 A CB -0.726 18.291 19.000 0.028 0.000 0.814 74 A HN 0.572 nan 8.150 nan 0.000 0.446 75 L N -0.759 120.491 121.223 0.046 0.000 1.976 75 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 75 L C 2.920 179.844 176.870 0.089 0.000 1.071 75 L CA 1.502 56.375 54.840 0.055 0.000 0.746 75 L CB -0.752 41.269 42.059 -0.064 0.000 0.890 75 L HN 0.353 nan 8.230 nan 0.000 0.432 76 S N 0.153 115.886 115.700 0.055 0.000 2.389 76 S HA -0.346 4.124 4.470 -0.000 0.000 0.229 76 S C 2.127 176.775 174.600 0.079 0.000 1.048 76 S CA 1.725 59.964 58.200 0.065 0.000 1.117 76 S CB -0.635 62.595 63.200 0.049 0.000 1.020 76 S HN 0.535 nan 8.310 nan 0.000 0.430 77 A N 1.553 124.412 122.820 0.064 0.000 1.859 77 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 77 A C 2.038 179.659 177.584 0.062 0.000 1.198 77 A CA 2.263 54.332 52.037 0.053 0.000 0.629 77 A CB -0.812 18.211 19.000 0.038 0.000 0.830 77 A HN 0.526 nan 8.150 nan 0.000 0.446 78 K N -0.403 120.048 120.400 0.085 0.000 2.218 78 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 78 K C 2.073 178.723 176.600 0.084 0.000 1.046 78 K CA 1.428 57.757 56.287 0.069 0.000 0.933 78 K CB -0.210 32.362 32.500 0.119 0.000 0.728 78 K HN 0.416 nan 8.250 nan 0.000 0.454 79 S N -0.331 115.490 115.700 0.202 0.000 2.507 79 S HA -0.040 4.430 4.470 -0.000 0.000 0.235 79 S C 0.546 175.206 174.600 0.099 0.000 0.988 79 S CA 0.334 58.678 58.200 0.239 0.000 0.944 79 S CB -0.207 63.125 63.200 0.219 0.000 0.762 79 S HN 0.399 nan 8.310 nan 0.000 0.526 85 P HA 0.283 nan 4.420 nan 0.000 0.225 85 P C -0.325 176.796 177.300 -0.298 0.000 1.156 85 P CA 0.685 63.531 63.100 -0.423 0.000 0.787 85 P CB -0.121 31.248 31.700 -0.551 0.000 0.802 86 F N -0.036 119.806 119.950 -0.181 0.000 2.380 86 F HA 0.355 4.882 4.527 -0.000 0.000 0.325 86 F C -1.842 173.769 175.800 -0.314 0.000 1.136 86 F CA -3.616 54.223 58.000 -0.268 0.000 1.171 86 F CB -1.155 37.687 39.000 -0.263 0.000 1.230 86 F HN -0.279 nan 8.300 nan 0.000 0.554 87 P HA 0.224 nan 4.420 nan 0.000 0.272 87 P C -1.060 176.029 177.300 -0.352 0.000 1.223 87 P CA -0.172 62.666 63.100 -0.437 0.000 0.784 87 P CB 0.774 31.920 31.700 -0.924 0.000 0.923 88 V N 3.172 123.032 119.914 -0.091 0.000 2.444 88 V HA 0.220 4.340 4.120 -0.000 0.000 0.294 88 V C 0.157 176.375 176.094 0.207 0.000 1.022 88 V CA -0.651 61.687 62.300 0.064 0.000 0.850 88 V CB 0.870 32.736 31.823 0.070 0.000 0.992 88 V HN 0.579 nan 8.190 nan 0.000 0.426 89 H N 4.464 123.737 119.070 0.338 0.000 2.615 89 H HA 0.286 4.842 4.556 -0.000 0.000 0.363 89 H C -2.319 173.105 175.328 0.160 0.000 1.148 89 H CA -1.831 54.374 56.048 0.262 0.000 1.401 89 H CB 1.312 31.201 29.762 0.212 0.000 1.461 89 H HN 0.370 nan 8.280 nan 0.000 0.588 90 P HA 0.104 nan 4.420 nan 0.000 0.271 90 P C 0.476 177.852 177.300 0.127 0.000 1.233 90 P CA 0.767 63.964 63.100 0.161 0.000 0.764 90 P CB 0.471 32.245 31.700 0.124 0.000 0.825 91 G N 2.200 111.065 108.800 0.107 0.000 2.131 91 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.201 91 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.201 91 G C 0.947 175.904 174.900 0.095 0.000 1.000 91 G CA 0.251 45.401 45.100 0.083 0.000 0.680 91 G HN 0.429 nan 8.290 nan 0.000 0.514 92 T N 0.368 114.994 114.554 0.119 0.000 2.942 92 T HA 0.255 4.605 4.350 -0.000 0.000 0.265 92 T C 2.745 177.496 174.700 0.085 0.000 1.062 92 T CA 1.840 64.014 62.100 0.122 0.000 1.139 92 T CB -0.143 68.813 68.868 0.146 0.000 0.883 92 T HN 1.104 nan 8.240 nan 0.000 0.468 93 A N 1.808 124.670 122.820 0.070 0.000 1.940 93 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 93 A C 2.286 179.897 177.584 0.045 0.000 1.176 93 A CA 1.243 53.311 52.037 0.051 0.000 0.631 93 A CB -0.293 18.733 19.000 0.043 0.000 0.814 93 A HN 0.311 nan 8.150 nan 0.000 0.446 94 E N -0.318 119.911 120.200 0.047 0.000 2.006 94 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 94 E C 2.185 178.809 176.600 0.040 0.000 0.993 94 E CA 1.329 57.752 56.400 0.039 0.000 0.808 94 E CB -1.134 28.589 29.700 0.037 0.000 0.764 94 E HN 0.578 nan 8.360 nan 0.000 0.449 95 c N 0.901 119.530 118.600 0.049 0.000 2.397 95 c HA -0.194 4.376 4.570 -0.000 0.000 0.282 95 c C 2.678 176.796 174.090 0.047 0.000 1.252 95 c CA 0.524 56.883 56.329 0.050 0.000 1.811 95 c CB -1.174 41.376 42.510 0.065 0.000 2.027 95 c HN 0.457 nan 8.230 nan 0.000 0.503 96 c N 0.124 118.752 118.600 0.048 0.000 2.526 96 c HA -0.012 4.558 4.570 -0.000 0.000 0.286 96 c C 2.592 176.701 174.090 0.032 0.000 1.416 96 c CA 1.111 57.465 56.329 0.042 0.000 1.671 96 c CB -2.349 40.186 42.510 0.042 0.000 1.650 96 c HN 0.748 nan 8.230 nan 0.000 0.590 97 T N -0.112 114.460 114.554 0.030 0.000 2.904 97 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 97 T C 1.291 176.004 174.700 0.021 0.000 1.059 97 T CA 1.261 63.376 62.100 0.024 0.000 1.137 97 T CB -0.178 68.703 68.868 0.022 0.000 0.879 97 T HN 0.363 nan 8.240 nan 0.000 0.467 104 K N -0.079 120.337 120.400 0.027 0.000 3.595 104 K HA -0.161 4.159 4.320 -0.000 0.000 0.284 104 K C -0.201 176.423 176.600 0.040 0.000 1.150 104 K CA 1.654 57.960 56.287 0.033 0.000 1.056 104 K CB -1.180 31.340 32.500 0.033 0.000 1.354 104 K HN 0.394 nan 8.250 nan 0.000 0.448 105 L N 1.717 122.962 121.223 0.037 0.000 2.919 105 L HA 0.061 4.401 4.340 -0.000 0.000 0.242 105 L C 1.927 178.821 176.870 0.040 0.000 1.366 105 L CA 0.146 55.011 54.840 0.042 0.000 1.212 105 L CB -0.424 41.657 42.059 0.036 0.000 1.604 105 L HN 0.433 nan 8.230 nan 0.000 0.433 106 c N -1.024 117.601 118.600 0.042 0.000 2.594 106 c HA 0.042 4.612 4.570 -0.000 0.000 0.265 106 c C 2.371 176.488 174.090 0.046 0.000 1.351 106 c CA -0.142 56.209 56.329 0.037 0.000 1.744 106 c CB -0.239 42.292 42.510 0.034 0.000 1.890 106 c HN 0.691 nan 8.230 nan 0.000 0.551 107 M N 1.971 121.610 119.600 0.066 0.000 2.099 107 M HA 0.029 4.509 4.480 -0.000 0.000 0.262 107 M C 2.557 178.909 176.300 0.088 0.000 1.067 107 M CA 2.016 57.374 55.300 0.097 0.000 1.124 107 M CB -0.683 31.992 32.600 0.126 0.000 1.353 107 M HN 0.400 nan 8.290 nan 0.000 0.410 108 A N 0.323 123.187 122.820 0.074 0.000 2.272 108 A HA 0.128 4.448 4.320 -0.000 0.000 0.213 108 A C 2.127 179.726 177.584 0.024 0.000 1.183 108 A CA 1.578 53.650 52.037 0.059 0.000 0.719 108 A CB -0.746 18.286 19.000 0.053 0.000 0.771 108 A HN 0.539 nan 8.150 nan 0.000 0.484 109 A N -0.969 121.860 122.820 0.015 0.000 2.197 109 A HA 0.455 4.775 4.320 -0.000 0.000 0.210 109 A C 0.733 178.296 177.584 -0.036 0.000 1.180 109 A CA -0.274 51.759 52.037 -0.007 0.000 0.846 109 A CB -0.031 18.970 19.000 0.001 0.000 0.884 109 A HN 0.362 nan 8.150 nan 0.000 0.487 110 L N 1.854 123.051 121.223 -0.044 0.000 2.433 110 L HA 0.306 4.646 4.340 -0.000 0.000 0.275 110 L C 0.837 177.569 176.870 -0.230 0.000 1.128 110 L CA -0.300 54.480 54.840 -0.101 0.000 0.875 110 L CB 0.399 42.423 42.059 -0.059 0.000 1.171 110 L HN 0.352 nan 8.230 nan 0.000 0.463 111 K N 3.609 123.894 120.400 -0.191 0.000 2.118 111 K HA 0.309 4.629 4.320 -0.000 0.000 0.264 111 K C -0.202 176.235 176.600 -0.271 0.000 1.000 111 K CA -0.565 55.596 56.287 -0.210 0.000 0.929 111 K CB 0.507 32.913 32.500 -0.155 0.000 1.021 111 K HN 0.772 nan 8.250 nan 0.000 0.463 112 H N 0.040 118.913 119.070 -0.328 0.000 2.502 112 H HA 0.509 5.065 4.556 -0.000 0.000 0.338 112 H C -1.063 174.213 175.328 -0.087 0.000 1.155 112 H CA -0.734 55.195 56.048 -0.199 0.000 1.237 112 H CB 1.160 30.878 29.762 -0.074 0.000 1.534 112 H HN 0.510 nan 8.280 nan 0.000 0.523 113 Q N 2.578 122.323 119.800 -0.091 0.000 2.235 113 Q HA 0.355 4.695 4.340 -0.000 0.000 0.250 113 Q C -2.322 173.631 176.000 -0.079 0.000 0.909 113 Q CA -1.808 53.914 55.803 -0.135 0.000 0.910 113 Q CB 0.934 29.657 28.738 -0.025 0.000 1.223 113 Q HN 0.549 nan 8.270 nan 0.000 0.432 114 P HA 0.003 nan 4.420 nan 0.000 0.272 114 P C -1.041 176.260 177.300 0.003 0.000 1.240 114 P CA -0.566 62.509 63.100 -0.043 0.000 0.791 114 P CB 0.517 32.161 31.700 -0.092 0.000 0.978 115 Q N 0.875 120.674 119.800 -0.002 0.000 2.377 115 Q HA 0.083 4.423 4.340 -0.000 0.000 0.249 115 Q C 0.206 176.164 176.000 -0.069 0.000 1.005 115 Q CA 0.587 56.386 55.803 -0.008 0.000 0.912 115 Q CB 0.025 28.732 28.738 -0.052 0.000 1.223 115 Q HN 0.341 nan 8.270 nan 0.000 0.459 116 E N 3.055 123.206 120.200 -0.082 0.000 2.489 116 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 116 E C -0.700 175.490 176.600 -0.682 0.000 1.057 116 E CA 0.152 56.345 56.400 -0.345 0.000 0.866 116 E CB 0.326 29.784 29.700 -0.404 0.000 0.916 116 E HN 0.490 nan 8.360 nan 0.000 0.500 117 F N 1.026 120.915 119.950 -0.102 0.000 2.622 117 F HA 0.301 4.828 4.527 -0.000 0.000 0.338 117 F C -2.365 173.364 175.800 -0.118 0.000 1.334 117 F CA -2.600 55.331 58.000 -0.116 0.000 1.179 117 F CB 0.849 39.764 39.000 -0.142 0.000 1.471 117 F HN -0.209 nan 8.300 nan 0.000 0.576 118 P HA 0.070 nan 4.420 nan 0.000 0.267 118 P C 0.766 178.029 177.300 -0.063 0.000 1.200 118 P CA 0.298 63.305 63.100 -0.154 0.000 0.772 118 P CB 0.743 32.322 31.700 -0.202 0.000 0.855 119 T N -2.235 112.264 114.554 -0.092 0.000 3.111 119 T HA 0.100 4.450 4.350 -0.000 0.000 0.284 119 T C 0.140 174.817 174.700 -0.037 0.000 0.983 119 T CA -0.251 61.827 62.100 -0.037 0.000 0.900 119 T CB -0.841 68.011 68.868 -0.027 0.000 1.132 119 T HN 0.224 nan 8.240 nan 0.000 0.531 120 Y N 2.561 122.759 120.300 -0.170 0.000 2.632 120 Y HA 0.437 4.987 4.550 -0.000 0.000 0.329 120 Y C -0.723 175.200 175.900 0.039 0.000 1.174 120 Y CA -0.208 57.835 58.100 -0.094 0.000 1.469 120 Y CB 0.366 38.714 38.460 -0.186 0.000 1.242 120 Y HN 0.075 nan 8.280 nan 0.000 0.540 121 V N 7.249 126.729 119.914 -0.724 0.000 2.577 121 V HA 0.171 4.291 4.120 -0.000 0.000 0.303 121 V C -0.437 175.282 176.094 -0.626 0.000 1.042 121 V CA -1.303 60.729 62.300 -0.446 0.000 0.872 121 V CB 1.685 33.393 31.823 -0.192 0.000 0.998 121 V HN 0.753 nan 8.190 nan 0.000 0.423 122 E N 5.521 125.525 120.200 -0.326 0.000 2.344 122 E HA 0.330 4.680 4.350 -0.000 0.000 0.270 122 E C -2.204 174.378 176.600 -0.031 0.000 1.021 122 E CA -1.262 55.090 56.400 -0.080 0.000 0.887 122 E CB 1.194 31.009 29.700 0.193 0.000 0.997 122 E HN 0.474 nan 8.360 nan 0.000 0.429 123 P HA 0.044 nan 4.420 nan 0.000 0.275 123 P C -0.598 176.689 177.300 -0.021 0.000 1.266 123 P CA -0.434 62.672 63.100 0.010 0.000 0.793 123 P CB 0.357 32.093 31.700 0.060 0.000 1.074 124 T N -1.935 112.595 114.554 -0.040 0.000 2.726 124 T HA 0.098 4.448 4.350 -0.000 0.000 0.294 124 T C 1.177 175.788 174.700 -0.147 0.000 1.013 124 T CA -0.417 61.636 62.100 -0.079 0.000 0.996 124 T CB 0.068 68.905 68.868 -0.053 0.000 1.016 124 T HN 0.176 nan 8.240 nan 0.000 0.529 125 N N 0.634 119.196 118.700 -0.230 0.000 2.166 125 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 125 N C 1.537 176.950 175.510 -0.161 0.000 1.019 125 N CA 1.453 54.279 53.050 -0.374 0.000 0.856 125 N CB -0.686 37.552 38.487 -0.414 0.000 0.993 125 N HN 0.829 nan 8.380 nan 0.000 0.426 126 D N 0.892 121.247 120.400 -0.076 0.000 2.117 126 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 126 D C 1.566 177.851 176.300 -0.024 0.000 0.987 126 D CA 1.044 55.029 54.000 -0.025 0.000 0.829 126 D CB 0.120 40.913 40.800 -0.011 0.000 0.961 126 D HN 0.317 nan 8.370 nan 0.000 0.460 127 E N -0.153 120.030 120.200 -0.028 0.000 2.085 127 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 127 E C 2.345 178.936 176.600 -0.014 0.000 0.994 127 E CA 0.887 57.285 56.400 -0.003 0.000 0.801 127 E CB -0.087 29.621 29.700 0.013 0.000 0.743 127 E HN 0.458 nan 8.360 nan 0.000 0.453 128 I N 0.744 121.280 120.570 -0.056 0.000 2.113 128 I HA -0.314 3.856 4.170 -0.000 0.000 0.238 128 I C 2.568 178.560 176.117 -0.209 0.000 1.070 128 I CA 0.840 62.052 61.300 -0.147 0.000 1.332 128 I CB -0.438 37.472 38.000 -0.150 0.000 1.044 128 I HN 0.239 nan 8.210 nan 0.000 0.402 129 c N 0.547 119.106 118.600 -0.069 0.000 2.413 129 c HA -0.128 4.442 4.570 -0.000 0.000 0.276 129 c C 2.783 176.894 174.090 0.034 0.000 1.248 129 c CA 0.632 56.976 56.329 0.024 0.000 1.742 129 c CB -0.999 41.561 42.510 0.083 0.000 2.017 129 c HN 0.486 nan 8.230 nan 0.000 0.481 130 E N 0.993 121.196 120.200 0.005 0.000 2.031 130 E HA -0.154 4.195 4.350 -0.000 0.000 0.193 130 E C 2.450 179.049 176.600 -0.001 0.000 0.994 130 E CA 1.720 58.124 56.400 0.008 0.000 0.800 130 E CB -0.777 28.928 29.700 0.009 0.000 0.752 130 E HN 0.627 nan 8.360 nan 0.000 0.447 131 A N 0.595 123.409 122.820 -0.010 0.000 1.940 131 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 131 A C 2.107 179.687 177.584 -0.007 0.000 1.176 131 A CA 1.448 53.499 52.037 0.023 0.000 0.631 131 A CB -0.779 18.282 19.000 0.102 0.000 0.814 131 A HN 0.291 nan 8.150 nan 0.000 0.446 132 F N 1.428 121.184 119.950 -0.324 0.000 2.206 132 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 132 F C 2.481 178.225 175.800 -0.093 0.000 1.090 132 F CA 1.657 59.482 58.000 -0.291 0.000 1.323 132 F CB -0.242 38.495 39.000 -0.438 0.000 1.028 132 F HN 0.364 nan 8.300 nan 0.000 0.492 133 R N 0.497 120.925 120.500 -0.121 0.000 2.092 133 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 133 R C 1.954 178.154 176.300 -0.167 0.000 1.119 133 R CA 1.549 57.546 56.100 -0.171 0.000 0.970 133 R CB -0.700 29.576 30.300 -0.040 0.000 0.864 133 R HN 0.217 nan 8.270 nan 0.000 0.440 134 K N 0.189 120.532 120.400 -0.094 0.000 1.980 134 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 134 K C 0.287 176.850 176.600 -0.062 0.000 1.043 134 K CA 1.135 57.388 56.287 -0.057 0.000 0.938 134 K CB -0.081 32.410 32.500 -0.013 0.000 0.724 134 K HN 0.111 nan 8.250 nan 0.000 0.438 135 D N 0.125 120.506 120.400 -0.031 0.000 2.432 135 D HA 0.191 4.831 4.640 -0.000 0.000 0.265 135 D C -2.213 174.100 176.300 0.023 0.000 1.160 135 D CA -2.280 51.725 54.000 0.008 0.000 0.911 135 D CB 1.446 42.288 40.800 0.070 0.000 1.052 135 D HN -0.179 nan 8.370 nan 0.000 0.508 136 P HA -0.128 nan 4.420 nan 0.000 0.215 136 P C 1.421 178.801 177.300 0.134 0.000 1.153 136 P CA 0.954 63.964 63.100 -0.150 0.000 0.853 136 P CB 0.575 32.080 31.700 -0.324 0.000 0.788 137 K N -0.214 120.248 120.400 0.104 0.000 2.001 137 K HA -0.152 4.167 4.320 -0.000 0.000 0.208 137 K C 2.109 178.825 176.600 0.194 0.000 1.048 137 K CA 1.436 57.812 56.287 0.148 0.000 0.932 137 K CB -0.954 31.611 32.500 0.109 0.000 0.715 137 K HN 0.110 nan 8.250 nan 0.000 0.437 138 E N 0.493 120.802 120.200 0.181 0.000 2.160 138 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 138 E C 1.990 178.700 176.600 0.183 0.000 0.991 138 E CA 1.129 57.646 56.400 0.195 0.000 0.810 138 E CB -0.376 29.418 29.700 0.156 0.000 0.742 138 E HN 0.332 nan 8.360 nan 0.000 0.466 139 Y N 0.258 120.650 120.300 0.153 0.000 2.163 139 Y HA -0.051 4.499 4.550 -0.000 0.000 0.288 139 Y C 2.092 178.158 175.900 0.277 0.000 1.136 139 Y CA 1.909 60.129 58.100 0.200 0.000 1.147 139 Y CB -0.784 37.833 38.460 0.263 0.000 0.987 139 Y HN 0.101 nan 8.280 nan 0.000 0.509 140 A N 0.327 123.221 122.820 0.122 0.000 2.067 140 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 140 A C 1.898 179.589 177.584 0.178 0.000 1.158 140 A CA 1.575 53.687 52.037 0.125 0.000 0.661 140 A CB -0.567 18.596 19.000 0.273 0.000 0.801 140 A HN 0.595 nan 8.150 nan 0.000 0.452 141 N N -0.514 118.309 118.700 0.205 0.000 2.290 141 N HA -0.102 4.638 4.740 -0.000 0.000 0.179 141 N C 1.885 177.595 175.510 0.333 0.000 1.016 141 N CA 1.473 54.723 53.050 0.333 0.000 0.871 141 N CB -0.360 38.403 38.487 0.460 0.000 0.987 141 N HN 0.676 nan 8.380 nan 0.000 0.431 142 Q N 0.549 120.335 119.800 -0.023 0.000 2.084 142 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 142 Q C 1.841 177.932 176.000 0.151 0.000 0.978 142 Q CA 1.250 56.897 55.803 -0.260 0.000 0.844 142 Q CB -0.600 27.943 28.738 -0.326 0.000 0.898 142 Q HN 0.309 nan 8.270 nan 0.000 0.426 143 F N 0.248 120.155 119.950 -0.072 0.000 2.084 143 F HA -0.056 4.471 4.527 -0.000 0.000 0.296 143 F C 1.909 177.752 175.800 0.070 0.000 1.111 143 F CA 1.729 59.710 58.000 -0.032 0.000 1.224 143 F CB -0.328 38.536 39.000 -0.226 0.000 0.991 143 F HN 0.114 nan 8.300 nan 0.000 0.471 144 M N -1.279 118.273 119.600 -0.080 0.000 2.149 144 M HA -0.226 4.254 4.480 -0.000 0.000 0.261 144 M C 2.136 178.424 176.300 -0.021 0.000 1.064 144 M CA 2.227 57.451 55.300 -0.127 0.000 1.102 144 M CB -0.926 31.730 32.600 0.092 0.000 1.369 144 M HN 0.543 nan 8.290 nan 0.000 0.408 145 W N 1.469 122.782 121.300 0.022 0.000 2.378 145 W HA -0.187 4.473 4.660 -0.000 0.000 0.313 145 W C 2.249 178.780 176.519 0.019 0.000 1.197 145 W CA 1.918 59.327 57.345 0.107 0.000 1.304 145 W CB -0.366 29.315 29.460 0.369 0.000 1.148 145 W HN 0.247 nan 8.180 nan 0.000 0.494 146 E N -1.242 118.765 120.200 -0.321 0.000 2.072 146 E HA -0.322 4.028 4.350 -0.000 0.000 0.191 146 E C 2.220 178.500 176.600 -0.534 0.000 0.985 146 E CA 1.599 57.596 56.400 -0.671 0.000 0.801 146 E CB -0.818 28.850 29.700 -0.054 0.000 0.750 146 E HN 0.427 nan 8.360 nan 0.000 0.452 147 Y N 0.876 120.784 120.300 -0.653 0.000 2.200 147 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 147 Y C 2.441 178.052 175.900 -0.480 0.000 1.137 147 Y CA 1.958 59.603 58.100 -0.758 0.000 1.163 147 Y CB -0.117 37.685 38.460 -1.097 0.000 0.988 147 Y HN 0.032 nan 8.280 nan 0.000 0.518 148 S N -1.042 114.482 115.700 -0.293 0.000 2.428 148 S HA -0.155 4.315 4.470 -0.000 0.000 0.230 148 S C 1.930 176.351 174.600 -0.300 0.000 1.014 148 S CA 1.522 59.594 58.200 -0.214 0.000 0.957 148 S CB -0.601 62.532 63.200 -0.111 0.000 0.784 148 S HN 0.739 nan 8.310 nan 0.000 0.499 149 T N 0.303 114.582 114.554 -0.458 0.000 3.014 149 T HA 0.123 4.473 4.350 -0.000 0.000 0.263 149 T C 1.482 175.932 174.700 -0.416 0.000 1.078 149 T CA 0.566 62.414 62.100 -0.420 0.000 1.135 149 T CB -0.168 68.338 68.868 -0.602 0.000 0.895 149 T HN 0.223 nan 8.240 nan 0.000 0.480 150 N N 0.535 118.874 118.700 -0.602 0.000 2.333 150 N HA 0.057 4.797 4.740 -0.000 0.000 0.178 150 N C -0.024 174.984 175.510 -0.838 0.000 1.018 150 N CA 0.803 53.391 53.050 -0.772 0.000 0.882 150 N CB 0.148 37.990 38.487 -1.075 0.000 0.984 150 N HN 0.565 nan 8.380 nan 0.000 0.434 151 Y N -0.771 119.270 120.300 -0.431 0.000 2.699 151 Y HA 0.328 4.878 4.550 -0.000 0.000 0.282 151 Y C 1.724 177.469 175.900 -0.258 0.000 1.058 151 Y CA -0.722 57.148 58.100 -0.384 0.000 1.194 151 Y CB 0.586 38.682 38.460 -0.606 0.000 1.193 151 Y HN -0.079 nan 8.280 nan 0.000 0.562 152 G N -0.031 108.706 108.800 -0.105 0.000 2.535 152 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 152 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 152 G C 1.433 176.327 174.900 -0.012 0.000 1.122 152 G CA 0.667 45.728 45.100 -0.066 0.000 0.769 152 G HN 0.265 nan 8.290 nan 0.000 0.549 153 Q N -0.056 119.742 119.800 -0.004 0.000 2.392 153 Q HA 0.299 4.639 4.340 -0.000 0.000 0.203 153 Q C 1.411 177.397 176.000 -0.024 0.000 0.917 153 Q CA 0.231 56.036 55.803 0.003 0.000 0.939 153 Q CB 0.260 28.994 28.738 -0.006 0.000 1.063 153 Q HN 0.439 nan 8.270 nan 0.000 0.516 154 A N 3.404 126.201 122.820 -0.040 0.000 2.425 154 A HA 0.307 4.627 4.320 -0.000 0.000 0.242 154 A C -2.096 175.460 177.584 -0.047 0.000 1.077 154 A CA -1.016 50.982 52.037 -0.065 0.000 0.781 154 A CB -0.329 18.624 19.000 -0.078 0.000 1.020 154 A HN -0.041 nan 8.150 nan 0.000 0.494 155 P HA 0.003 nan 4.420 nan 0.000 0.268 155 P C 0.951 178.231 177.300 -0.033 0.000 1.204 155 P CA -0.292 62.781 63.100 -0.044 0.000 0.768 155 P CB 0.659 32.325 31.700 -0.055 0.000 0.842 156 L N 4.484 125.687 121.223 -0.033 0.000 2.034 156 L HA -0.314 4.026 4.340 -0.000 0.000 0.217 156 L C 2.510 179.369 176.870 -0.018 0.000 1.077 156 L CA 3.038 57.858 54.840 -0.032 0.000 0.769 156 L CB -1.663 40.367 42.059 -0.048 0.000 0.890 156 L HN 0.520 nan 8.230 nan 0.000 0.435 157 S N -1.319 114.370 115.700 -0.019 0.000 2.387 157 S HA -0.241 4.229 4.470 -0.000 0.000 0.230 157 S C 2.013 176.614 174.600 0.003 0.000 1.035 157 S CA 1.556 59.751 58.200 -0.009 0.000 1.014 157 S CB -1.051 62.141 63.200 -0.013 0.000 0.836 157 S HN 0.382 nan 8.310 nan 0.000 0.466 158 L N 1.238 122.458 121.223 -0.006 0.000 2.072 158 L HA 0.245 4.585 4.340 -0.000 0.000 0.205 158 L C 2.451 179.353 176.870 0.053 0.000 1.079 158 L CA 1.297 56.139 54.840 0.003 0.000 0.752 158 L CB -0.824 41.210 42.059 -0.042 0.000 0.906 158 L HN 0.348 nan 8.230 nan 0.000 0.436 159 L N -1.946 119.308 121.223 0.051 0.000 2.017 159 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 159 L C 2.427 179.347 176.870 0.082 0.000 1.073 159 L CA 1.022 55.923 54.840 0.101 0.000 0.745 159 L CB -0.583 41.515 42.059 0.065 0.000 0.894 159 L HN 0.071 nan 8.230 nan 0.000 0.432 160 V N -1.131 118.810 119.914 0.044 0.000 2.343 160 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 160 V C 2.683 178.805 176.094 0.046 0.000 1.051 160 V CA 2.049 64.370 62.300 0.035 0.000 1.036 160 V CB -0.181 31.651 31.823 0.016 0.000 0.654 160 V HN 0.439 nan 8.190 nan 0.000 0.451 161 S N -1.446 114.287 115.700 0.055 0.000 2.371 161 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 161 S C 2.001 176.647 174.600 0.077 0.000 1.029 161 S CA 1.564 59.799 58.200 0.059 0.000 0.978 161 S CB -0.376 62.858 63.200 0.056 0.000 0.833 161 S HN 0.669 nan 8.310 nan 0.000 0.466 162 Y N 2.647 122.940 120.300 -0.012 0.000 2.200 162 Y HA -0.102 4.448 4.550 -0.000 0.000 0.290 162 Y C 2.691 178.600 175.900 0.015 0.000 1.137 162 Y CA 2.237 60.321 58.100 -0.027 0.000 1.163 162 Y CB -1.072 37.326 38.460 -0.102 0.000 0.988 162 Y HN 0.476 nan 8.280 nan 0.000 0.518 163 T N -2.226 112.272 114.554 -0.093 0.000 2.915 163 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 163 T C 1.783 176.523 174.700 0.068 0.000 1.071 163 T CA 1.173 63.285 62.100 0.020 0.000 1.132 163 T CB -0.154 68.749 68.868 0.058 0.000 0.878 163 T HN 0.107 nan 8.240 nan 0.000 0.479 164 K N 1.300 121.711 120.400 0.018 0.000 2.116 164 K HA 0.215 4.535 4.320 -0.000 0.000 0.203 164 K C 2.720 179.302 176.600 -0.030 0.000 1.052 164 K CA 0.872 57.172 56.287 0.023 0.000 0.952 164 K CB -0.564 31.954 32.500 0.030 0.000 0.729 164 K HN 0.387 nan 8.250 nan 0.000 0.446 165 S N 0.643 116.300 115.700 -0.071 0.000 2.383 165 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 165 S C 1.807 176.307 174.600 -0.166 0.000 1.026 165 S CA 0.777 58.920 58.200 -0.094 0.000 0.981 165 S CB -0.315 62.850 63.200 -0.058 0.000 0.818 165 S HN 0.316 nan 8.310 nan 0.000 0.472 166 Y N 2.240 122.285 120.300 -0.425 0.000 2.133 166 Y HA -0.025 4.524 4.550 -0.000 0.000 0.287 166 Y C 1.895 177.598 175.900 -0.328 0.000 1.134 166 Y CA 1.303 59.114 58.100 -0.482 0.000 1.133 166 Y CB -0.404 37.588 38.460 -0.780 0.000 0.987 166 Y HN 0.115 nan 8.280 nan 0.000 0.502 167 L N -0.910 120.232 121.223 -0.136 0.000 2.131 167 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 167 L C 2.752 179.511 176.870 -0.186 0.000 1.092 167 L CA 1.566 56.330 54.840 -0.126 0.000 0.759 167 L CB -0.728 41.370 42.059 0.066 0.000 0.903 167 L HN 0.235 nan 8.230 nan 0.000 0.435 168 S N -0.211 115.399 115.700 -0.150 0.000 2.402 168 S HA -0.218 4.251 4.470 -0.000 0.000 0.229 168 S C 2.019 176.482 174.600 -0.228 0.000 1.021 168 S CA 1.254 59.370 58.200 -0.139 0.000 0.974 168 S CB -0.101 63.046 63.200 -0.089 0.000 0.800 168 S HN 0.397 nan 8.310 nan 0.000 0.484 169 M N 0.694 120.117 119.600 -0.295 0.000 2.099 169 M HA -0.050 4.430 4.480 -0.000 0.000 0.262 169 M C 1.847 177.870 176.300 -0.463 0.000 1.067 169 M CA 1.615 56.706 55.300 -0.349 0.000 1.124 169 M CB -0.281 32.119 32.600 -0.332 0.000 1.353 169 M HN 0.249 nan 8.290 nan 0.000 0.410 170 V N 0.738 120.343 119.914 -0.516 0.000 2.261 170 V HA -0.202 3.917 4.120 -0.000 0.000 0.246 170 V C 2.672 178.291 176.094 -0.792 0.000 1.047 170 V CA 2.181 64.136 62.300 -0.574 0.000 1.015 170 V CB -1.768 29.694 31.823 -0.602 0.000 0.642 170 V HN 0.741 nan 8.190 nan 0.000 0.446 171 G N -1.250 107.106 108.800 -0.740 0.000 2.440 171 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 171 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 171 G C 1.948 176.696 174.900 -0.253 0.000 1.154 171 G CA 1.372 46.169 45.100 -0.506 0.000 0.767 171 G HN 0.483 nan 8.290 nan 0.000 0.552 172 S N -0.746 114.792 115.700 -0.270 0.000 2.338 172 S HA -0.140 4.330 4.470 -0.000 0.000 0.218 172 S C 2.520 176.941 174.600 -0.298 0.000 1.032 172 S CA 1.517 59.582 58.200 -0.225 0.000 0.999 172 S CB -0.780 62.292 63.200 -0.212 0.000 0.905 172 S HN 0.439 nan 8.310 nan 0.000 0.439 173 c N 1.018 119.322 118.600 -0.493 0.000 2.425 173 c HA -0.015 4.555 4.570 -0.000 0.000 0.277 173 c C 2.774 176.567 174.090 -0.495 0.000 1.280 173 c CA 0.436 56.359 56.329 -0.677 0.000 1.744 173 c CB -1.574 40.050 42.510 -1.478 0.000 1.989 173 c HN 0.705 nan 8.230 nan 0.000 0.491 174 c N 1.180 119.551 118.600 -0.382 0.000 2.511 174 c HA 0.008 4.578 4.570 -0.000 0.000 0.277 174 c C 2.103 176.175 174.090 -0.029 0.000 1.451 174 c CA 1.586 57.844 56.329 -0.117 0.000 1.735 174 c CB -2.104 40.383 42.510 -0.038 0.000 1.704 174 c HN 0.847 nan 8.230 nan 0.000 0.571 175 T N -3.003 111.508 114.554 -0.070 0.000 3.275 175 T HA 0.175 4.525 4.350 -0.000 0.000 0.298 175 T C 0.306 174.973 174.700 -0.055 0.000 0.988 175 T CA 0.119 62.205 62.100 -0.023 0.000 0.936 175 T CB -0.165 68.713 68.868 0.016 0.000 1.159 175 T HN 0.409 nan 8.240 nan 0.000 0.519 176 S N 0.477 116.119 115.700 -0.097 0.000 2.669 176 S HA 0.756 5.226 4.470 -0.000 0.000 0.270 176 S C 1.841 176.405 174.600 -0.060 0.000 1.225 176 S CA -0.264 57.880 58.200 -0.093 0.000 0.991 176 S CB 1.127 64.242 63.200 -0.142 0.000 0.987 176 S HN 0.391 nan 8.310 nan 0.000 0.552 177 A N 0.756 123.546 122.820 -0.051 0.000 1.940 177 A HA 0.136 4.456 4.320 -0.000 0.000 0.219 177 A C 1.431 178.998 177.584 -0.029 0.000 1.176 177 A CA 1.520 53.537 52.037 -0.033 0.000 0.631 177 A CB -0.705 18.277 19.000 -0.030 0.000 0.814 177 A HN 0.993 nan 8.150 nan 0.000 0.446 178 S N -1.367 114.309 115.700 -0.039 0.000 2.496 178 S HA 0.486 4.955 4.470 -0.000 0.000 0.221 178 S C -2.248 172.328 174.600 -0.040 0.000 1.260 178 S CA -1.164 57.021 58.200 -0.025 0.000 1.181 178 S CB 0.996 64.186 63.200 -0.016 0.000 1.136 178 S HN 0.027 nan 8.310 nan 0.000 0.467 179 P HA -0.138 nan 4.420 nan 0.000 0.216 179 P C 1.503 178.842 177.300 0.064 0.000 1.157 179 P CA 1.587 64.659 63.100 -0.046 0.000 0.880 179 P CB 0.025 31.758 31.700 0.054 0.000 0.791 180 T N -0.604 114.022 114.554 0.121 0.000 2.652 180 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 180 T C 1.786 176.556 174.700 0.117 0.000 1.039 180 T CA 1.809 64.002 62.100 0.155 0.000 1.153 180 T CB -1.128 67.791 68.868 0.086 0.000 0.863 180 T HN -0.089 nan 8.240 nan 0.000 0.428 181 V N 0.678 120.620 119.914 0.047 0.000 2.626 181 V HA -0.135 3.985 4.120 -0.000 0.000 0.252 181 V C 2.754 178.849 176.094 0.002 0.000 1.067 181 V CA 1.111 63.427 62.300 0.027 0.000 1.081 181 V CB -0.957 30.869 31.823 0.006 0.000 0.686 181 V HN 0.699 nan 8.190 nan 0.000 0.468 182 c N -0.142 118.426 118.600 -0.054 0.000 2.446 182 c HA -0.145 4.425 4.570 -0.000 0.000 0.277 182 c C 2.527 176.530 174.090 -0.145 0.000 1.275 182 c CA 0.880 57.119 56.329 -0.150 0.000 1.727 182 c CB -1.109 41.232 42.510 -0.281 0.000 2.010 182 c HN 0.566 nan 8.230 nan 0.000 0.486 183 F N 0.639 120.552 119.950 -0.061 0.000 2.186 183 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 183 F C 2.294 178.074 175.800 -0.032 0.000 1.090 183 F CA 1.233 59.194 58.000 -0.065 0.000 1.307 183 F CB -0.267 38.695 39.000 -0.064 0.000 1.019 183 F HN 0.166 nan 8.300 nan 0.000 0.489 184 L N -0.000 121.325 121.223 0.171 0.000 2.012 184 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 184 L C 2.323 179.236 176.870 0.071 0.000 1.073 184 L CA 1.644 56.545 54.840 0.102 0.000 0.748 184 L CB -0.510 41.590 42.059 0.069 0.000 0.891 184 L HN 0.099 nan 8.230 nan 0.000 0.431 185 K N -0.745 119.680 120.400 0.041 0.000 2.031 185 K HA -0.111 4.208 4.320 -0.000 0.000 0.205 185 K C 2.056 178.668 176.600 0.020 0.000 1.049 185 K CA 0.821 57.120 56.287 0.020 0.000 0.939 185 K CB -0.073 32.423 32.500 -0.007 0.000 0.717 185 K HN 0.181 nan 8.250 nan 0.000 0.438 186 E N 1.038 121.239 120.200 0.001 0.000 2.077 186 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 186 E C 2.034 178.666 176.600 0.054 0.000 0.989 186 E CA 1.096 57.492 56.400 -0.006 0.000 0.800 186 E CB -0.071 29.582 29.700 -0.078 0.000 0.746 186 E HN 0.246 nan 8.360 nan 0.000 0.452 187 R N 0.157 120.718 120.500 0.102 0.000 2.120 187 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 187 R C 2.423 178.794 176.300 0.118 0.000 1.123 187 R CA 0.566 56.749 56.100 0.138 0.000 0.975 187 R CB -0.331 30.062 30.300 0.156 0.000 0.866 187 R HN 0.080 nan 8.270 nan 0.000 0.446 188 L N 1.259 122.535 121.223 0.088 0.000 2.141 188 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 188 L C 1.936 178.853 176.870 0.077 0.000 1.094 188 L CA 1.705 56.590 54.840 0.076 0.000 0.763 188 L CB -0.127 41.965 42.059 0.055 0.000 0.908 188 L HN 0.129 nan 8.230 nan 0.000 0.437 189 Q N -1.266 118.576 119.800 0.070 0.000 2.432 189 Q HA 0.033 4.373 4.340 -0.000 0.000 0.205 189 Q C 1.657 177.721 176.000 0.107 0.000 0.945 189 Q CA 0.595 56.439 55.803 0.069 0.000 0.924 189 Q CB 0.266 29.028 28.738 0.040 0.000 1.016 189 Q HN 0.517 nan 8.270 nan 0.000 0.503 190 L N -0.351 120.953 121.223 0.136 0.000 2.664 190 L HA 0.089 4.429 4.340 -0.000 0.000 0.233 190 L C 2.103 179.098 176.870 0.208 0.000 1.113 190 L CA 0.031 54.991 54.840 0.199 0.000 0.896 190 L CB -0.012 42.194 42.059 0.244 0.000 1.163 190 L HN 0.074 nan 8.230 nan 0.000 0.497 191 K N 0.671 121.167 120.400 0.160 0.000 2.089 191 K HA -0.316 4.004 4.320 -0.000 0.000 0.210 191 K C 2.115 178.768 176.600 0.089 0.000 1.048 191 K CA 2.219 58.578 56.287 0.120 0.000 0.926 191 K CB -0.088 32.474 32.500 0.103 0.000 0.714 191 K HN 0.327 nan 8.250 nan 0.000 0.448 192 H N 0.178 119.266 119.070 0.030 0.000 2.293 192 H HA -0.136 4.420 4.556 -0.000 0.000 0.300 192 H C 1.849 177.164 175.328 -0.022 0.000 1.082 192 H CA 1.925 57.973 56.048 -0.001 0.000 1.308 192 H CB -0.352 29.414 29.762 0.006 0.000 1.375 192 H HN 0.200 nan 8.280 nan 0.000 0.495 193 L N 0.001 121.124 121.223 -0.166 0.000 2.201 193 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 193 L C 2.554 179.261 176.870 -0.271 0.000 1.105 193 L CA 1.898 56.619 54.840 -0.198 0.000 0.775 193 L CB -1.125 41.003 42.059 0.115 0.000 0.913 193 L HN 0.433 nan 8.230 nan 0.000 0.440 194 S N -1.184 114.360 115.700 -0.261 0.000 2.357 194 S HA -0.108 4.362 4.470 -0.000 0.000 0.221 194 S C 1.957 176.292 174.600 -0.442 0.000 1.031 194 S CA 1.056 58.894 58.200 -0.604 0.000 0.982 194 S CB -0.384 62.670 63.200 -0.243 0.000 0.853 194 S HN 0.432 nan 8.310 nan 0.000 0.458 195 L N 1.277 122.335 121.223 -0.276 0.000 2.093 195 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 195 L C 2.321 179.011 176.870 -0.300 0.000 1.085 195 L CA 1.516 56.216 54.840 -0.235 0.000 0.755 195 L CB -1.200 40.777 42.059 -0.137 0.000 0.904 195 L HN 0.439 nan 8.230 nan 0.000 0.435 196 L N -0.431 120.574 121.223 -0.364 0.000 2.083 196 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 196 L C 2.312 178.984 176.870 -0.330 0.000 1.083 196 L CA 1.967 56.586 54.840 -0.368 0.000 0.752 196 L CB -0.794 40.992 42.059 -0.455 0.000 0.899 196 L HN 0.175 nan 8.230 nan 0.000 0.433 197 T N -1.385 112.959 114.554 -0.351 0.000 2.812 197 T HA -0.132 4.218 4.350 -0.000 0.000 0.264 197 T C 1.749 176.213 174.700 -0.393 0.000 1.042 197 T CA 1.751 63.662 62.100 -0.316 0.000 1.140 197 T CB -0.531 68.156 68.868 -0.301 0.000 0.870 197 T HN 0.638 nan 8.240 nan 0.000 0.445 198 T N 1.116 115.365 114.554 -0.509 0.000 2.857 198 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 198 T C 1.964 176.447 174.700 -0.362 0.000 1.048 198 T CA 0.589 62.320 62.100 -0.616 0.000 1.139 198 T CB -0.566 67.913 68.868 -0.649 0.000 0.874 198 T HN 0.133 nan 8.240 nan 0.000 0.455 199 L N 1.793 122.825 121.223 -0.318 0.000 2.017 199 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 199 L C 2.634 179.330 176.870 -0.290 0.000 1.073 199 L CA 1.733 56.394 54.840 -0.298 0.000 0.745 199 L CB -1.164 40.712 42.059 -0.304 0.000 0.894 199 L HN 0.245 nan 8.230 nan 0.000 0.432 200 S N 0.012 115.542 115.700 -0.284 0.000 2.370 200 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 200 S C 1.867 176.361 174.600 -0.176 0.000 1.033 200 S CA 1.435 59.492 58.200 -0.238 0.000 1.011 200 S CB -0.748 62.321 63.200 -0.218 0.000 0.852 200 S HN 0.667 nan 8.310 nan 0.000 0.457 201 N N 1.225 119.823 118.700 -0.170 0.000 2.043 201 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 201 N C 1.982 177.444 175.510 -0.080 0.000 1.037 201 N CA 1.474 54.465 53.050 -0.098 0.000 0.851 201 N CB -0.155 38.301 38.487 -0.051 0.000 1.027 201 N HN 0.183 nan 8.380 nan 0.000 0.422 202 R N 1.039 121.475 120.500 -0.108 0.000 2.082 202 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 202 R C 2.361 178.620 176.300 -0.069 0.000 1.136 202 R CA 1.640 57.687 56.100 -0.088 0.000 0.935 202 R CB -1.156 29.059 30.300 -0.142 0.000 0.842 202 R HN 0.191 nan 8.270 nan 0.000 0.430 203 V N -0.388 119.455 119.914 -0.119 0.000 2.407 203 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 203 V C 2.011 178.104 176.094 -0.000 0.000 1.055 203 V CA 2.255 64.529 62.300 -0.043 0.000 1.049 203 V CB -0.322 31.449 31.823 -0.088 0.000 0.662 203 V HN 0.652 nan 8.190 nan 0.000 0.455 204 c N -0.713 117.861 118.600 -0.042 0.000 2.448 204 c HA -0.014 4.556 4.570 -0.000 0.000 0.280 204 c C 3.099 177.223 174.090 0.057 0.000 1.398 204 c CA 1.241 57.575 56.329 0.007 0.000 1.774 204 c CB -0.895 41.591 42.510 -0.040 0.000 1.888 204 c HN 0.681 nan 8.230 nan 0.000 0.519 205 S N 0.097 115.800 115.700 0.004 0.000 2.414 205 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 205 S C 1.895 176.470 174.600 -0.041 0.000 1.022 205 S CA 1.201 59.385 58.200 -0.026 0.000 0.958 205 S CB -0.144 63.023 63.200 -0.054 0.000 0.797 205 S HN 0.703 nan 8.310 nan 0.000 0.493 206 Q N -0.921 118.879 119.800 -0.002 0.000 2.123 206 Q HA -0.097 4.243 4.340 -0.000 0.000 0.199 206 Q C 1.807 177.843 176.000 0.059 0.000 0.966 206 Q CA 1.578 57.363 55.803 -0.030 0.000 0.845 206 Q CB -0.314 28.475 28.738 0.086 0.000 0.907 206 Q HN 0.730 nan 8.270 nan 0.000 0.439 207 Y N 1.020 121.328 120.300 0.013 0.000 2.145 207 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 207 Y C 2.221 178.130 175.900 0.014 0.000 1.145 207 Y CA 1.443 59.571 58.100 0.046 0.000 1.148 207 Y CB -0.395 38.075 38.460 0.017 0.000 0.981 207 Y HN 0.072 nan 8.280 nan 0.000 0.507 208 A N 0.295 123.120 122.820 0.009 0.000 1.930 208 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 208 A C 2.402 179.892 177.584 -0.157 0.000 1.175 208 A CA 1.671 53.640 52.037 -0.113 0.000 0.627 208 A CB -1.415 17.543 19.000 -0.069 0.000 0.815 208 A HN 0.593 nan 8.150 nan 0.000 0.443 209 A N -1.270 121.453 122.820 -0.163 0.000 1.877 209 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 209 A C 2.050 179.549 177.584 -0.143 0.000 1.186 209 A CA 1.686 53.592 52.037 -0.218 0.000 0.620 209 A CB -0.679 18.101 19.000 -0.366 0.000 0.822 209 A HN 0.561 nan 8.150 nan 0.000 0.443 210 Y N -0.914 119.323 120.300 -0.104 0.000 2.448 210 Y HA 0.381 4.931 4.550 -0.000 0.000 0.289 210 Y C 1.630 177.427 175.900 -0.172 0.000 1.114 210 Y CA 0.095 58.131 58.100 -0.107 0.000 1.235 210 Y CB -0.594 37.829 38.460 -0.062 0.000 1.045 210 Y HN 0.562 nan 8.280 nan 0.000 0.554 211 G N 0.374 109.085 108.800 -0.148 0.000 2.730 211 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.686 211 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.686 211 G C 0.532 175.213 174.900 -0.365 0.000 1.343 211 G CA -0.011 44.914 45.100 -0.292 0.000 0.826 211 G HN 0.253 nan 8.290 nan 0.000 0.582 212 E N 0.064 120.023 120.200 -0.401 0.000 2.070 212 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 212 E C 2.360 178.963 176.600 0.004 0.000 1.004 212 E CA 1.783 58.100 56.400 -0.138 0.000 0.805 212 E CB -0.087 29.638 29.700 0.041 0.000 0.744 212 E HN 0.552 nan 8.360 nan 0.000 0.451 213 K N 0.455 120.838 120.400 -0.027 0.000 2.001 213 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 213 K C 2.127 178.703 176.600 -0.040 0.000 1.048 213 K CA 1.391 57.669 56.287 -0.015 0.000 0.932 213 K CB 0.044 32.531 32.500 -0.022 0.000 0.715 213 K HN -0.040 nan 8.250 nan 0.000 0.437 214 K N 0.422 120.772 120.400 -0.084 0.000 2.097 214 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 214 K C 2.328 178.793 176.600 -0.225 0.000 1.049 214 K CA 1.224 57.389 56.287 -0.205 0.000 0.933 214 K CB -0.214 32.113 32.500 -0.288 0.000 0.717 214 K HN 0.147 nan 8.250 nan 0.000 0.442 215 S N 1.302 116.984 115.700 -0.029 0.000 2.353 215 S HA -0.206 4.264 4.470 -0.000 0.000 0.222 215 S C 2.108 176.774 174.600 0.110 0.000 1.035 215 S CA 1.359 59.645 58.200 0.144 0.000 1.025 215 S CB -0.114 63.268 63.200 0.303 0.000 0.902 215 S HN 0.278 nan 8.310 nan 0.000 0.440 216 R N 0.221 120.780 120.500 0.099 0.000 2.096 216 R HA -0.063 4.277 4.340 -0.000 0.000 0.240 216 R C 2.431 178.759 176.300 0.047 0.000 1.139 216 R CA 1.857 58.008 56.100 0.085 0.000 0.952 216 R CB -0.496 29.848 30.300 0.073 0.000 0.854 216 R HN 0.474 nan 8.270 nan 0.000 0.436 217 L N -0.040 121.183 121.223 0.000 0.000 2.046 217 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 217 L C 2.707 179.566 176.870 -0.018 0.000 1.077 217 L CA 1.488 56.320 54.840 -0.013 0.000 0.747 217 L CB -0.537 41.492 42.059 -0.050 0.000 0.896 217 L HN 0.338 nan 8.230 nan 0.000 0.432 218 S N 0.321 115.981 115.700 -0.068 0.000 2.359 218 S HA -0.223 4.247 4.470 -0.000 0.000 0.223 218 S C 1.802 176.443 174.600 0.068 0.000 1.039 218 S CA 1.805 59.986 58.200 -0.033 0.000 1.042 218 S CB -0.248 62.929 63.200 -0.039 0.000 0.915 218 S HN 0.450 nan 8.310 nan 0.000 0.439 219 N N 1.119 119.881 118.700 0.103 0.000 2.289 219 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 219 N C 1.640 177.216 175.510 0.110 0.000 1.016 219 N CA 1.037 54.164 53.050 0.128 0.000 0.872 219 N CB -0.523 38.054 38.487 0.150 0.000 0.973 219 N HN 0.400 nan 8.380 nan 0.000 0.433 220 L N 1.200 122.477 121.223 0.091 0.000 2.072 220 L HA 0.047 4.387 4.340 -0.000 0.000 0.205 220 L C 1.961 178.899 176.870 0.114 0.000 1.079 220 L CA 1.125 56.026 54.840 0.102 0.000 0.752 220 L CB -0.437 41.676 42.059 0.090 0.000 0.906 220 L HN 0.012 nan 8.230 nan 0.000 0.436 221 I N -0.425 120.190 120.570 0.075 0.000 2.179 221 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 221 I C 2.444 178.596 176.117 0.058 0.000 1.088 221 I CA 1.502 62.832 61.300 0.050 0.000 1.357 221 I CB -0.406 37.609 38.000 0.026 0.000 1.051 221 I HN 0.230 nan 8.210 nan 0.000 0.409 222 K N 0.680 121.123 120.400 0.071 0.000 2.032 222 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 222 K C 2.118 178.767 176.600 0.082 0.000 1.048 222 K CA 1.391 57.718 56.287 0.067 0.000 0.927 222 K CB -0.298 32.242 32.500 0.067 0.000 0.712 222 K HN 0.267 nan 8.250 nan 0.000 0.441 223 L N 0.460 121.745 121.223 0.103 0.000 2.046 223 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 223 L C 2.572 179.503 176.870 0.102 0.000 1.077 223 L CA 1.132 56.036 54.840 0.108 0.000 0.747 223 L CB -0.529 41.590 42.059 0.100 0.000 0.896 223 L HN 0.212 nan 8.230 nan 0.000 0.432 224 A N -0.615 122.282 122.820 0.128 0.000 1.933 224 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 224 A C 2.223 179.806 177.584 -0.002 0.000 1.175 224 A CA 1.473 53.567 52.037 0.096 0.000 0.628 224 A CB -0.375 18.633 19.000 0.013 0.000 0.814 224 A HN 0.501 nan 8.150 nan 0.000 0.444 225 Q N -0.564 119.246 119.800 0.017 0.000 2.172 225 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 225 Q C 1.868 177.896 176.000 0.045 0.000 0.964 225 Q CA 1.341 57.154 55.803 0.017 0.000 0.855 225 Q CB -0.101 28.655 28.738 0.030 0.000 0.918 225 Q HN 0.650 nan 8.270 nan 0.000 0.444 226 K N -0.015 120.433 120.400 0.079 0.000 2.167 226 K HA 0.009 4.329 4.320 -0.000 0.000 0.203 226 K C 0.258 176.931 176.600 0.123 0.000 1.052 226 K CA 0.675 57.045 56.287 0.137 0.000 0.956 226 K CB 0.677 33.329 32.500 0.253 0.000 0.735 226 K HN -0.077 nan 8.250 nan 0.000 0.451 227 V N 1.919 121.862 119.914 0.049 0.000 2.462 227 V HA 0.128 4.248 4.120 -0.000 0.000 0.257 227 V C -2.379 173.723 176.094 0.012 0.000 0.944 227 V CA -1.028 61.269 62.300 -0.005 0.000 0.903 227 V CB 1.167 32.902 31.823 -0.148 0.000 1.128 227 V HN -0.028 nan 8.190 nan 0.000 0.486 228 P HA -0.121 nan 4.420 nan 0.000 0.221 228 P C 1.677 178.970 177.300 -0.013 0.000 1.145 228 P CA 1.518 64.594 63.100 -0.041 0.000 0.795 228 P CB 0.098 31.770 31.700 -0.048 0.000 0.775 229 T N -4.254 110.306 114.554 0.010 0.000 3.148 229 T HA 0.380 4.730 4.350 -0.000 0.000 0.253 229 T C 0.872 175.603 174.700 0.051 0.000 1.134 229 T CA -0.086 62.027 62.100 0.022 0.000 1.051 229 T CB -0.541 68.332 68.868 0.008 0.000 0.959 229 T HN -0.007 nan 8.240 nan 0.000 0.525 230 A N 1.285 124.156 122.820 0.085 0.000 2.259 230 A HA 0.572 4.892 4.320 -0.000 0.000 0.278 230 A C -0.153 177.544 177.584 0.190 0.000 1.107 230 A CA -0.717 51.371 52.037 0.085 0.000 0.828 230 A CB 0.283 19.303 19.000 0.032 0.000 1.111 230 A HN 0.425 nan 8.150 nan 0.000 0.498 231 D N -0.477 119.940 120.400 0.029 0.000 2.217 231 D HA 0.308 4.948 4.640 -0.000 0.000 0.248 231 D C 1.164 177.176 176.300 -0.480 0.000 1.008 231 D CA -0.551 53.403 54.000 -0.076 0.000 0.914 231 D CB 1.537 42.289 40.800 -0.079 0.000 1.182 231 D HN 0.294 nan 8.370 nan 0.000 0.451 232 L N 1.850 122.538 121.223 -0.891 0.000 2.021 232 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 232 L C 1.632 178.175 176.870 -0.546 0.000 1.074 232 L CA 2.101 56.220 54.840 -1.201 0.000 0.760 232 L CB -0.484 41.142 42.059 -0.721 0.000 0.889 232 L HN 0.323 nan 8.230 nan 0.000 0.433 233 E N -0.073 119.934 120.200 -0.322 0.000 2.209 233 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 233 E C 1.898 178.402 176.600 -0.160 0.000 0.993 233 E CA 1.412 57.699 56.400 -0.188 0.000 0.819 233 E CB -0.356 29.270 29.700 -0.124 0.000 0.745 233 E HN 0.616 nan 8.360 nan 0.000 0.477 234 D N -0.850 119.443 120.400 -0.179 0.000 2.194 234 D HA -0.034 4.605 4.640 -0.000 0.000 0.204 234 D C 1.653 177.872 176.300 -0.135 0.000 0.964 234 D CA 0.708 54.627 54.000 -0.135 0.000 0.846 234 D CB 0.307 41.035 40.800 -0.122 0.000 0.962 234 D HN 0.090 nan 8.370 nan 0.000 0.490 235 V N 0.809 120.620 119.914 -0.171 0.000 3.085 235 V HA -0.047 4.073 4.120 -0.000 0.000 0.245 235 V C 2.163 178.209 176.094 -0.080 0.000 1.114 235 V CA 0.218 62.451 62.300 -0.111 0.000 1.108 235 V CB 0.228 32.014 31.823 -0.061 0.000 0.798 235 V HN 0.051 nan 8.190 nan 0.000 0.471 236 L N 1.642 122.783 121.223 -0.137 0.000 2.012 236 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 236 L C -0.282 176.571 176.870 -0.028 0.000 1.073 236 L CA 2.635 57.427 54.840 -0.080 0.000 0.748 236 L CB -1.609 40.382 42.059 -0.114 0.000 0.891 236 L HN 0.256 nan 8.230 nan 0.000 0.431 237 P HA -0.164 nan 4.420 nan 0.000 0.218 237 P C 2.008 179.332 177.300 0.040 0.000 1.148 237 P CA 1.449 64.547 63.100 -0.003 0.000 0.822 237 P CB -0.040 31.648 31.700 -0.020 0.000 0.784 238 L N -1.243 120.006 121.223 0.043 0.000 2.072 238 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 238 L C 2.506 179.485 176.870 0.180 0.000 1.079 238 L CA 1.491 56.404 54.840 0.123 0.000 0.752 238 L CB -1.315 40.787 42.059 0.072 0.000 0.906 238 L HN -0.057 nan 8.230 nan 0.000 0.436 239 A N -0.285 122.601 122.820 0.110 0.000 1.933 239 A HA -0.172 4.147 4.320 -0.000 0.000 0.218 239 A C 2.228 179.864 177.584 0.086 0.000 1.175 239 A CA 1.311 53.411 52.037 0.105 0.000 0.628 239 A CB -0.301 18.746 19.000 0.078 0.000 0.814 239 A HN 0.340 nan 8.150 nan 0.000 0.444 240 E N -0.016 120.224 120.200 0.067 0.000 2.051 240 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 240 E C 1.726 178.357 176.600 0.051 0.000 0.991 240 E CA 1.589 58.020 56.400 0.051 0.000 0.799 240 E CB -0.446 29.276 29.700 0.035 0.000 0.748 240 E HN 0.698 nan 8.360 nan 0.000 0.449 241 D N 0.519 120.968 120.400 0.082 0.000 2.084 241 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 241 D C 1.969 178.265 176.300 -0.007 0.000 0.990 241 D CA 0.694 54.745 54.000 0.085 0.000 0.826 241 D CB -0.162 40.761 40.800 0.205 0.000 0.971 241 D HN 0.035 nan 8.370 nan 0.000 0.453 242 I N 0.306 120.845 120.570 -0.050 0.000 2.264 242 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 242 I C 2.084 178.119 176.117 -0.136 0.000 1.111 242 I CA 1.518 62.671 61.300 -0.245 0.000 1.382 242 I CB -0.732 37.161 38.000 -0.178 0.000 1.060 242 I HN 0.027 nan 8.210 nan 0.000 0.418 243 T N 0.470 115.002 114.554 -0.036 0.000 2.788 243 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 243 T C 1.709 176.364 174.700 -0.074 0.000 1.044 243 T CA 2.033 64.125 62.100 -0.013 0.000 1.139 243 T CB -0.575 68.338 68.868 0.076 0.000 0.867 243 T HN 0.515 nan 8.240 nan 0.000 0.454 244 N N 0.505 119.174 118.700 -0.053 0.000 2.142 244 N HA 0.058 4.798 4.740 -0.000 0.000 0.186 244 N C 1.830 177.271 175.510 -0.114 0.000 1.023 244 N CA 0.808 53.825 53.050 -0.056 0.000 0.852 244 N CB -0.181 38.292 38.487 -0.024 0.000 0.998 244 N HN 0.299 nan 8.380 nan 0.000 0.424 245 I N 1.100 121.584 120.570 -0.144 0.000 2.226 245 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 245 I C 1.904 177.872 176.117 -0.248 0.000 1.100 245 I CA 1.071 62.264 61.300 -0.179 0.000 1.374 245 I CB -0.249 37.623 38.000 -0.214 0.000 1.057 245 I HN 0.169 nan 8.210 nan 0.000 0.413 246 L N 0.356 121.371 121.223 -0.346 0.000 2.056 246 L HA -0.172 4.167 4.340 -0.000 0.000 0.207 246 L C 2.775 179.252 176.870 -0.655 0.000 1.078 246 L CA 1.641 56.148 54.840 -0.554 0.000 0.749 246 L CB -0.736 40.855 42.059 -0.780 0.000 0.901 246 L HN 0.343 nan 8.230 nan 0.000 0.433 247 S N -0.584 114.795 115.700 -0.535 0.000 2.447 247 S HA -0.203 4.267 4.470 -0.000 0.000 0.233 247 S C 1.938 176.474 174.600 -0.106 0.000 1.006 247 S CA 1.037 59.105 58.200 -0.219 0.000 0.957 247 S CB -0.153 63.061 63.200 0.024 0.000 0.773 247 S HN 0.406 nan 8.310 nan 0.000 0.507 248 K N -0.100 120.221 120.400 -0.132 0.000 2.242 248 K HA 0.180 4.500 4.320 -0.000 0.000 0.200 248 K C 0.949 177.494 176.600 -0.091 0.000 1.050 248 K CA 0.987 57.223 56.287 -0.085 0.000 0.981 248 K CB 0.074 32.530 32.500 -0.074 0.000 0.795 248 K HN 0.493 nan 8.250 nan 0.000 0.477 249 c N -0.177 118.343 118.600 -0.132 0.000 3.228 249 c HA 0.251 4.821 4.570 -0.000 0.000 0.290 249 c C 2.214 176.232 174.090 -0.120 0.000 1.301 249 c CA -0.770 55.488 56.329 -0.118 0.000 1.703 249 c CB -0.890 41.543 42.510 -0.129 0.000 2.141 249 c HN 0.574 nan 8.230 nan 0.000 0.656 250 c N 1.045 119.562 118.600 -0.140 0.000 2.432 250 c HA -0.010 4.560 4.570 -0.000 0.000 0.280 250 c C 0.912 174.972 174.090 -0.050 0.000 1.353 250 c CA 1.192 57.459 56.329 -0.103 0.000 1.766 250 c CB -0.912 41.541 42.510 -0.096 0.000 1.924 250 c HN 0.563 nan 8.230 nan 0.000 0.509 251 E N 1.038 121.217 120.200 -0.035 0.000 2.220 251 E HA 0.366 4.716 4.350 -0.000 0.000 0.256 251 E C -0.800 175.787 176.600 -0.022 0.000 0.881 251 E CA 0.243 56.632 56.400 -0.018 0.000 0.766 251 E CB 1.632 31.335 29.700 0.005 0.000 1.187 251 E HN 0.491 nan 8.360 nan 0.000 0.419 252 S N -0.006 115.679 115.700 -0.025 0.000 2.603 252 S HA 0.562 5.032 4.470 -0.000 0.000 0.274 252 S C 0.460 175.049 174.600 -0.019 0.000 1.168 252 S CA -0.435 57.752 58.200 -0.021 0.000 0.963 252 S CB 1.687 64.870 63.200 -0.027 0.000 1.078 252 S HN 0.330 nan 8.310 nan 0.000 0.477 253 A N 2.683 125.496 122.820 -0.012 0.000 1.929 253 A HA 0.243 4.563 4.320 -0.000 0.000 0.216 253 A C 1.735 179.311 177.584 -0.014 0.000 1.176 253 A CA 1.533 53.561 52.037 -0.015 0.000 0.628 253 A CB -0.508 18.488 19.000 -0.006 0.000 0.816 253 A HN 0.948 nan 8.150 nan 0.000 0.444 254 S N -2.242 113.452 115.700 -0.009 0.000 2.648 254 S HA 0.171 4.641 4.470 -0.000 0.000 0.270 254 S C -0.027 174.569 174.600 -0.006 0.000 1.082 254 S CA -0.220 57.974 58.200 -0.009 0.000 1.116 254 S CB 0.436 63.629 63.200 -0.012 0.000 1.040 254 S HN 0.428 nan 8.310 nan 0.000 0.572 255 E N 2.803 122.999 120.200 -0.008 0.000 2.141 255 E HA 0.401 4.751 4.350 -0.000 0.000 0.259 255 E C -1.351 175.239 176.600 -0.016 0.000 0.883 255 E CA -0.524 55.871 56.400 -0.008 0.000 0.744 255 E CB 0.781 30.477 29.700 -0.006 0.000 1.150 255 E HN 0.151 nan 8.360 nan 0.000 0.420 256 D N 2.332 122.721 120.400 -0.018 0.000 2.308 256 D HA 0.052 4.692 4.640 -0.000 0.000 0.251 256 D C 0.517 176.796 176.300 -0.035 0.000 1.127 256 D CA -0.362 53.619 54.000 -0.032 0.000 0.876 256 D CB 0.645 41.425 40.800 -0.033 0.000 1.176 256 D HN 0.522 nan 8.370 nan 0.000 0.446 257 c N 3.161 121.730 118.600 -0.051 0.000 3.183 257 c HA 0.298 4.868 4.570 -0.000 0.000 0.285 257 c C 2.054 176.099 174.090 -0.074 0.000 1.313 257 c CA -0.624 55.674 56.329 -0.052 0.000 1.711 257 c CB -0.764 41.717 42.510 -0.050 0.000 2.135 257 c HN 0.597 nan 8.230 nan 0.000 0.651 258 M N 2.487 122.027 119.600 -0.100 0.000 2.149 258 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 258 M C 2.485 178.715 176.300 -0.118 0.000 1.064 258 M CA 2.104 57.319 55.300 -0.142 0.000 1.102 258 M CB -1.221 31.272 32.600 -0.178 0.000 1.369 258 M HN 0.615 nan 8.290 nan 0.000 0.408 259 A N 0.151 122.928 122.820 -0.071 0.000 1.969 259 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 259 A C 2.213 179.797 177.584 -0.000 0.000 1.169 259 A CA 1.428 53.459 52.037 -0.010 0.000 0.635 259 A CB -0.392 18.637 19.000 0.049 0.000 0.810 259 A HN 0.491 nan 8.150 nan 0.000 0.445 260 K N -0.561 119.829 120.400 -0.018 0.000 2.243 260 K HA -0.002 4.318 4.320 -0.000 0.000 0.201 260 K C 1.615 178.204 176.600 -0.018 0.000 1.051 260 K CA 1.019 57.298 56.287 -0.013 0.000 0.970 260 K CB 0.089 32.580 32.500 -0.015 0.000 0.755 260 K HN 0.389 nan 8.250 nan 0.000 0.465 261 E N 0.814 120.991 120.200 -0.039 0.000 2.127 261 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 261 E C 2.121 178.710 176.600 -0.019 0.000 0.964 261 E CA 0.438 56.816 56.400 -0.037 0.000 0.832 261 E CB 0.030 29.687 29.700 -0.073 0.000 0.790 261 E HN 0.216 nan 8.360 nan 0.000 0.465 262 L N 1.951 123.135 121.223 -0.065 0.000 2.012 262 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 262 L C -0.340 176.563 176.870 0.056 0.000 1.073 262 L CA 1.556 56.363 54.840 -0.056 0.000 0.748 262 L CB -1.822 40.112 42.059 -0.207 0.000 0.891 262 L HN 0.119 nan 8.230 nan 0.000 0.431 263 P HA -0.236 nan 4.420 nan 0.000 0.215 263 P C 1.248 178.586 177.300 0.063 0.000 1.157 263 P CA 1.653 64.783 63.100 0.051 0.000 0.874 263 P CB 0.060 31.776 31.700 0.026 0.000 0.790 264 E N -0.909 119.326 120.200 0.058 0.000 2.204 264 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 264 E C 2.117 178.766 176.600 0.082 0.000 0.989 264 E CA 1.019 57.451 56.400 0.054 0.000 0.824 264 E CB -1.058 28.668 29.700 0.043 0.000 0.756 264 E HN 0.310 nan 8.360 nan 0.000 0.477 265 H N -0.630 118.462 119.070 0.037 0.000 2.353 265 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 265 H C 1.935 177.331 175.328 0.114 0.000 1.090 265 H CA 2.521 58.612 56.048 0.071 0.000 1.327 265 H CB -0.421 29.390 29.762 0.081 0.000 1.383 265 H HN 0.291 nan 8.280 nan 0.000 0.508 266 T N -2.226 112.363 114.554 0.059 0.000 2.881 266 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 266 T C 2.108 176.801 174.700 -0.012 0.000 1.068 266 T CA 1.250 63.370 62.100 0.034 0.000 1.131 266 T CB -0.922 68.015 68.868 0.115 0.000 0.871 266 T HN 0.151 nan 8.240 nan 0.000 0.479 267 V N 1.686 121.597 119.914 -0.005 0.000 2.358 267 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 267 V C 2.803 178.878 176.094 -0.032 0.000 1.047 267 V CA 1.737 64.033 62.300 -0.006 0.000 1.035 267 V CB -0.598 31.228 31.823 0.005 0.000 0.658 267 V HN 0.491 nan 8.190 nan 0.000 0.452 268 K N -0.098 120.264 120.400 -0.065 0.000 2.057 268 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 268 K C 2.182 178.719 176.600 -0.105 0.000 1.049 268 K CA 1.314 57.555 56.287 -0.077 0.000 0.931 268 K CB -0.354 32.103 32.500 -0.071 0.000 0.714 268 K HN 0.322 nan 8.250 nan 0.000 0.440 269 L N 0.669 121.788 121.223 -0.173 0.000 1.990 269 L HA -0.320 4.020 4.340 -0.000 0.000 0.213 269 L C 2.681 179.552 176.870 0.001 0.000 1.072 269 L CA 1.373 56.158 54.840 -0.090 0.000 0.755 269 L CB -0.560 41.476 42.059 -0.039 0.000 0.889 269 L HN 0.358 nan 8.230 nan 0.000 0.432 270 c N -0.564 118.055 118.600 0.032 0.000 2.446 270 c HA -0.148 4.422 4.570 -0.000 0.000 0.277 270 c C 2.397 176.494 174.090 0.012 0.000 1.275 270 c CA 0.316 56.680 56.329 0.058 0.000 1.727 270 c CB -0.891 41.652 42.510 0.054 0.000 2.010 270 c HN 0.550 nan 8.230 nan 0.000 0.486 271 D N 0.800 121.194 120.400 -0.011 0.000 2.123 271 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 271 D C 1.841 178.119 176.300 -0.036 0.000 0.992 271 D CA 1.291 55.279 54.000 -0.019 0.000 0.833 271 D CB -0.596 40.190 40.800 -0.023 0.000 0.954 271 D HN 0.646 nan 8.370 nan 0.000 0.455 272 N N -0.669 117.996 118.700 -0.059 0.000 2.368 272 N HA 0.072 4.812 4.740 -0.000 0.000 0.176 272 N C 1.351 176.786 175.510 -0.124 0.000 1.021 272 N CA 0.294 53.293 53.050 -0.086 0.000 0.888 272 N CB 0.567 38.995 38.487 -0.098 0.000 0.995 272 N HN 0.137 nan 8.380 nan 0.000 0.437 273 L N -0.793 120.330 121.223 -0.166 0.000 2.781 273 L HA 0.231 4.571 4.340 -0.000 0.000 0.245 273 L C 2.070 178.870 176.870 -0.117 0.000 1.118 273 L CA -0.037 54.640 54.840 -0.272 0.000 0.918 273 L CB 0.201 41.815 42.059 -0.741 0.000 1.246 273 L HN -0.007 nan 8.230 nan 0.000 0.526 274 S N 0.898 116.597 115.700 -0.002 0.000 2.380 274 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 274 S C 2.040 176.667 174.600 0.045 0.000 1.043 274 S CA 2.644 60.887 58.200 0.071 0.000 1.038 274 S CB -0.160 63.072 63.200 0.053 0.000 0.872 274 S HN 0.632 nan 8.310 nan 0.000 0.456 275 T N -1.844 112.714 114.554 0.008 0.000 3.065 275 T HA 0.256 4.606 4.350 -0.000 0.000 0.252 275 T C 1.456 176.154 174.700 -0.003 0.000 1.099 275 T CA 0.024 62.128 62.100 0.006 0.000 1.063 275 T CB -0.026 68.840 68.868 -0.003 0.000 0.948 275 T HN 0.209 nan 8.240 nan 0.000 0.506 276 K N 1.573 121.957 120.400 -0.025 0.000 2.400 276 K HA 0.208 4.528 4.320 -0.000 0.000 0.194 276 K C 0.513 177.107 176.600 -0.011 0.000 1.033 276 K CA 0.166 56.434 56.287 -0.032 0.000 1.021 276 K CB 0.035 32.491 32.500 -0.073 0.000 0.808 276 K HN 0.431 nan 8.250 nan 0.000 0.505 277 N N -0.034 118.678 118.700 0.021 0.000 2.455 277 N HA -0.004 4.736 4.740 -0.000 0.000 0.285 277 N C 0.128 175.710 175.510 0.120 0.000 1.080 277 N CA 0.063 53.159 53.050 0.077 0.000 0.932 277 N CB 2.028 40.580 38.487 0.108 0.000 1.610 277 N HN -0.206 nan 8.380 nan 0.000 0.493 278 S N 2.700 118.451 115.700 0.086 0.000 2.370 278 S HA -0.094 4.376 4.470 -0.000 0.000 0.226 278 S C 1.464 176.111 174.600 0.079 0.000 1.033 278 S CA 1.233 59.475 58.200 0.070 0.000 1.011 278 S CB 0.029 63.255 63.200 0.044 0.000 0.852 278 S HN 0.575 nan 8.310 nan 0.000 0.457 279 K N 0.073 120.530 120.400 0.094 0.000 2.097 279 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 279 K C 1.754 178.363 176.600 0.015 0.000 1.049 279 K CA 1.144 57.460 56.287 0.048 0.000 0.933 279 K CB -0.696 31.834 32.500 0.049 0.000 0.717 279 K HN 0.467 nan 8.250 nan 0.000 0.442 280 F N 1.864 121.811 119.950 -0.005 0.000 2.206 280 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 280 F C 2.642 178.437 175.800 -0.008 0.000 1.090 280 F CA 1.170 59.164 58.000 -0.011 0.000 1.323 280 F CB -0.149 38.843 39.000 -0.013 0.000 1.028 280 F HN 0.179 nan 8.300 nan 0.000 0.492 281 E N 0.206 120.508 120.200 0.170 0.000 2.118 281 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 281 E C 1.526 178.155 176.600 0.048 0.000 0.992 281 E CA 1.730 58.187 56.400 0.095 0.000 0.804 281 E CB -0.063 29.679 29.700 0.069 0.000 0.741 281 E HN 0.334 nan 8.360 nan 0.000 0.458 282 D N 0.018 120.434 120.400 0.026 0.000 2.123 282 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 282 D C 2.057 178.344 176.300 -0.022 0.000 0.976 282 D CA 0.801 54.802 54.000 0.001 0.000 0.831 282 D CB -0.565 40.233 40.800 -0.005 0.000 0.974 282 D HN 0.284 nan 8.370 nan 0.000 0.469 283 c N 0.634 119.194 118.600 -0.067 0.000 2.413 283 c HA -0.148 4.422 4.570 -0.000 0.000 0.277 283 c C 2.803 176.861 174.090 -0.054 0.000 1.265 283 c CA 0.279 56.542 56.329 -0.110 0.000 1.752 283 c CB -0.899 41.446 42.510 -0.276 0.000 1.998 283 c HN 0.430 nan 8.230 nan 0.000 0.489 284 c N 0.599 119.192 118.600 -0.012 0.000 2.511 284 c HA -0.027 4.543 4.570 -0.000 0.000 0.277 284 c C 2.402 176.501 174.090 0.016 0.000 1.451 284 c CA 0.590 56.932 56.329 0.021 0.000 1.735 284 c CB -1.450 41.094 42.510 0.057 0.000 1.704 284 c HN 0.631 nan 8.230 nan 0.000 0.571 285 Q N 0.514 120.318 119.800 0.007 0.000 2.402 285 Q HA 0.115 4.455 4.340 -0.000 0.000 0.206 285 Q C 0.705 176.709 176.000 0.007 0.000 0.919 285 Q CA 0.362 56.170 55.803 0.009 0.000 0.923 285 Q CB -0.015 28.728 28.738 0.008 0.000 1.048 285 Q HN 0.626 nan 8.270 nan 0.000 0.515 286 E N 1.661 121.863 120.200 0.004 0.000 2.492 286 E HA -0.117 4.233 4.350 -0.000 0.000 0.266 286 E C 0.875 177.482 176.600 0.013 0.000 1.047 286 E CA 0.387 56.791 56.400 0.007 0.000 0.968 286 E CB 0.525 30.228 29.700 0.005 0.000 0.960 286 E HN -0.035 nan 8.360 nan 0.000 0.452 287 K N 0.481 120.890 120.400 0.015 0.000 2.288 287 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 287 K C 0.078 176.686 176.600 0.014 0.000 1.048 287 K CA 1.251 57.546 56.287 0.013 0.000 0.956 287 K CB 0.140 32.649 32.500 0.014 0.000 0.746 287 K HN 0.660 nan 8.250 nan 0.000 0.461 288 T N -5.059 109.509 114.554 0.022 0.000 2.896 288 T HA 0.533 4.883 4.350 -0.000 0.000 0.297 288 T C 0.746 175.472 174.700 0.043 0.000 1.108 288 T CA -0.512 61.605 62.100 0.028 0.000 1.004 288 T CB 1.774 70.666 68.868 0.040 0.000 1.159 288 T HN -0.060 nan 8.240 nan 0.000 0.499 289 A N 1.430 124.280 122.820 0.049 0.000 1.933 289 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 289 A C 2.252 179.896 177.584 0.099 0.000 1.175 289 A CA 1.280 53.360 52.037 0.072 0.000 0.628 289 A CB -0.896 18.141 19.000 0.062 0.000 0.814 289 A HN 0.769 nan 8.150 nan 0.000 0.444 290 M N 0.043 119.692 119.600 0.082 0.000 2.117 290 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 290 M C 1.364 177.706 176.300 0.070 0.000 1.065 290 M CA 1.472 56.811 55.300 0.064 0.000 1.114 290 M CB -1.422 31.210 32.600 0.053 0.000 1.361 290 M HN 0.353 nan 8.290 nan 0.000 0.408 291 D N -0.159 120.272 120.400 0.052 0.000 2.123 291 D HA -0.060 4.580 4.640 -0.000 0.000 0.200 291 D C 2.289 178.596 176.300 0.012 0.000 0.976 291 D CA 0.884 54.899 54.000 0.025 0.000 0.831 291 D CB -0.199 40.615 40.800 0.024 0.000 0.974 291 D HN 0.132 nan 8.370 nan 0.000 0.469 292 V N 1.027 120.961 119.914 0.033 0.000 2.287 292 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 292 V C 2.194 178.287 176.094 -0.002 0.000 1.053 292 V CA 1.396 63.701 62.300 0.008 0.000 1.027 292 V CB -0.607 31.240 31.823 0.039 0.000 0.646 292 V HN 0.082 nan 8.190 nan 0.000 0.447 293 F N 0.675 120.594 119.950 -0.052 0.000 2.069 293 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 293 F C 2.317 178.048 175.800 -0.114 0.000 1.113 293 F CA 2.055 60.029 58.000 -0.044 0.000 1.214 293 F CB -0.432 38.554 39.000 -0.024 0.000 0.978 293 F HN -0.065 nan 8.300 nan 0.000 0.474 294 V N -0.479 119.446 119.914 0.018 0.000 2.324 294 V HA -0.401 3.719 4.120 -0.000 0.000 0.250 294 V C 2.767 178.628 176.094 -0.387 0.000 1.060 294 V CA 1.947 64.079 62.300 -0.279 0.000 1.042 294 V CB -1.169 30.497 31.823 -0.262 0.000 0.650 294 V HN 0.753 nan 8.190 nan 0.000 0.450 295 c N 0.844 119.315 118.600 -0.215 0.000 2.425 295 c HA -0.156 4.414 4.570 -0.000 0.000 0.277 295 c C 3.141 177.073 174.090 -0.262 0.000 1.280 295 c CA 1.937 58.164 56.329 -0.170 0.000 1.744 295 c CB -1.232 41.198 42.510 -0.134 0.000 1.989 295 c HN 0.786 nan 8.230 nan 0.000 0.491 296 T N -2.598 111.728 114.554 -0.380 0.000 3.014 296 T HA -0.107 4.243 4.350 -0.000 0.000 0.263 296 T C 1.641 176.150 174.700 -0.319 0.000 1.078 296 T CA 1.325 63.120 62.100 -0.508 0.000 1.135 296 T CB -0.719 67.827 68.868 -0.535 0.000 0.895 296 T HN 0.669 nan 8.240 nan 0.000 0.480 297 Y N 1.285 121.291 120.300 -0.490 0.000 2.163 297 Y HA 0.148 4.698 4.550 -0.000 0.000 0.288 297 Y C 1.827 177.696 175.900 -0.052 0.000 1.136 297 Y CA 0.716 58.602 58.100 -0.358 0.000 1.147 297 Y CB -0.523 37.639 38.460 -0.497 0.000 0.987 297 Y HN 0.256 nan 8.280 nan 0.000 0.509 298 F N -0.266 119.627 119.950 -0.094 0.000 2.365 298 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 298 F C 1.395 177.104 175.800 -0.152 0.000 1.090 298 F CA -0.241 57.684 58.000 -0.126 0.000 1.408 298 F CB -0.156 38.838 39.000 -0.010 0.000 1.060 298 F HN 0.009 nan 8.300 nan 0.000 0.534 299 M N 3.381 122.990 119.600 0.015 0.000 2.338 299 M HA 0.011 4.491 4.480 -0.000 0.000 0.360 299 M C -2.067 174.223 176.300 -0.017 0.000 1.547 299 M CA -1.352 53.930 55.300 -0.030 0.000 1.001 299 M CB 0.415 32.949 32.600 -0.109 0.000 2.008 299 M HN -0.252 nan 8.290 nan 0.000 0.464 300 P HA 0.214 nan 4.420 nan 0.000 0.278 300 P C -1.338 175.979 177.300 0.029 0.000 1.258 300 P CA -0.529 62.574 63.100 0.006 0.000 0.811 300 P CB 0.558 32.261 31.700 0.004 0.000 1.063 301 A N 1.274 124.119 122.820 0.041 0.000 2.545 301 A HA 0.399 4.718 4.320 -0.000 0.000 0.253 301 A C 0.861 178.478 177.584 0.054 0.000 1.074 301 A CA 0.074 52.145 52.037 0.057 0.000 0.760 301 A CB -0.925 18.120 19.000 0.076 0.000 1.005 301 A HN 0.674 nan 8.150 nan 0.000 0.506 302 A N 2.343 125.192 122.820 0.048 0.000 2.296 302 A HA 0.493 4.813 4.320 -0.000 0.000 0.264 302 A C 0.620 178.211 177.584 0.012 0.000 1.097 302 A CA -0.249 51.807 52.037 0.031 0.000 0.811 302 A CB 0.019 19.043 19.000 0.039 0.000 1.072 302 A HN 0.997 nan 8.150 nan 0.000 0.495 303 Q N 0.165 119.958 119.800 -0.012 0.000 2.274 303 Q HA 0.270 4.610 4.340 -0.000 0.000 0.280 303 Q C -0.950 175.029 176.000 -0.035 0.000 1.047 303 Q CA 0.784 56.560 55.803 -0.044 0.000 0.907 303 Q CB -0.191 28.517 28.738 -0.050 0.000 1.171 303 Q HN 0.473 nan 8.270 nan 0.000 0.381 304 L N 7.738 128.934 121.223 -0.044 0.000 2.319 304 L HA 0.216 4.555 4.340 -0.000 0.000 0.280 304 L C -1.426 175.417 176.870 -0.044 0.000 1.099 304 L CA -1.796 53.022 54.840 -0.037 0.000 0.828 304 L CB 0.726 42.771 42.059 -0.023 0.000 1.150 304 L HN 0.689 nan 8.230 nan 0.000 0.442 305 P HA -0.179 nan 4.420 nan 0.000 0.226 305 P C -0.017 177.262 177.300 -0.035 0.000 1.146 305 P CA 0.568 63.647 63.100 -0.035 0.000 0.773 305 P CB 0.062 31.743 31.700 -0.032 0.000 0.772 306 E N -1.237 118.939 120.200 -0.040 0.000 3.179 306 E HA -0.183 4.167 4.350 -0.000 0.000 0.148 306 E C -0.984 175.599 176.600 -0.029 0.000 1.916 306 E CA 0.202 56.582 56.400 -0.033 0.000 0.709 306 E CB -1.525 28.159 29.700 -0.028 0.000 1.081 306 E HN -0.028 nan 8.360 nan 0.000 0.351 307 L N 4.022 125.224 121.223 -0.036 0.000 2.544 307 L HA 0.696 5.036 4.340 -0.000 0.000 0.256 307 L C -1.453 175.406 176.870 -0.020 0.000 1.097 307 L CA -1.818 53.005 54.840 -0.027 0.000 0.812 307 L CB -0.274 41.764 42.059 -0.035 0.000 1.440 307 L HN 0.357 nan 8.230 nan 0.000 0.496 308 P HA 0.010 nan 4.420 nan 0.000 0.270 308 P C -0.692 176.607 177.300 -0.002 0.000 1.227 308 P CA -0.259 62.839 63.100 -0.003 0.000 0.788 308 P CB 0.309 32.010 31.700 0.002 0.000 0.926 309 D N -0.211 120.194 120.400 0.008 0.000 2.362 309 D HA 0.114 4.754 4.640 -0.000 0.000 0.238 309 D C -0.768 175.551 176.300 0.031 0.000 1.212 309 D CA 0.408 54.418 54.000 0.017 0.000 0.902 309 D CB 0.656 41.471 40.800 0.026 0.000 1.180 309 D HN -0.093 nan 8.370 nan 0.000 0.445 310 V N 2.547 122.495 119.914 0.057 0.000 2.588 310 V HA 0.213 4.333 4.120 -0.000 0.000 0.304 310 V C 0.097 176.296 176.094 0.174 0.000 1.042 310 V CA -0.920 61.444 62.300 0.106 0.000 0.877 310 V CB 1.988 33.874 31.823 0.106 0.000 0.996 310 V HN 0.427 nan 8.190 nan 0.000 0.425 311 E N 2.726 123.002 120.200 0.126 0.000 2.318 311 E HA 0.497 4.847 4.350 -0.000 0.000 0.265 311 E C -0.221 176.369 176.600 -0.017 0.000 1.069 311 E CA -0.616 55.824 56.400 0.065 0.000 0.893 311 E CB 1.520 31.221 29.700 0.001 0.000 1.076 311 E HN 0.489 nan 8.360 nan 0.000 0.414 312 L N 2.895 124.020 121.223 -0.165 0.000 2.499 312 L HA 0.030 4.370 4.340 -0.000 0.000 0.281 312 L C -1.504 175.088 176.870 -0.462 0.000 1.234 312 L CA -1.018 53.517 54.840 -0.508 0.000 0.839 312 L CB -0.066 41.815 42.059 -0.296 0.000 1.104 312 L HN 0.240 nan 8.230 nan 0.000 0.500 313 P HA 0.042 nan 4.420 nan 0.000 0.220 313 P C -0.128 176.925 177.300 -0.412 0.000 1.806 313 P CA -0.363 62.514 63.100 -0.372 0.000 0.976 313 P CB -0.590 30.935 31.700 -0.292 0.000 1.952 314 T N -0.211 114.061 114.554 -0.471 0.000 4.313 314 T HA 0.183 4.533 4.350 -0.000 0.000 0.272 314 T C 0.303 174.235 174.700 -1.280 0.000 1.298 314 T CA -0.657 60.937 62.100 -0.842 0.000 1.124 314 T CB -1.016 67.609 68.868 -0.404 0.000 1.352 314 T HN 0.379 nan 8.240 nan 0.000 1.013 315 N N 0.137 118.069 118.700 -1.279 0.000 2.405 315 N HA 0.224 4.964 4.740 -0.000 0.000 0.274 315 N C 0.246 175.565 175.510 -0.317 0.000 1.170 315 N CA -0.956 51.645 53.050 -0.748 0.000 0.848 315 N CB 1.872 40.160 38.487 -0.331 0.000 1.629 315 N HN -0.020 nan 8.380 nan 0.000 0.481 316 K N 0.388 120.809 120.400 0.036 0.000 2.366 316 K HA -0.150 4.170 4.320 -0.000 0.000 0.202 316 K C 0.525 177.174 176.600 0.080 0.000 1.045 316 K CA 1.540 57.935 56.287 0.180 0.000 0.934 316 K CB -0.263 32.319 32.500 0.136 0.000 0.746 316 K HN 0.468 nan 8.250 nan 0.000 0.470 317 D N -0.829 119.575 120.400 0.006 0.000 2.312 317 D HA -0.088 4.552 4.640 -0.000 0.000 0.211 317 D C 1.438 177.746 176.300 0.013 0.000 0.964 317 D CA 1.175 55.177 54.000 0.003 0.000 0.877 317 D CB 0.120 40.907 40.800 -0.020 0.000 0.924 317 D HN 0.239 nan 8.370 nan 0.000 0.515 318 V N -1.807 118.118 119.914 0.018 0.000 3.380 318 V HA -0.062 4.058 4.120 -0.000 0.000 0.268 318 V C 2.038 178.169 176.094 0.062 0.000 1.168 318 V CA 0.472 62.792 62.300 0.034 0.000 1.156 318 V CB -1.028 30.813 31.823 0.030 0.000 0.785 318 V HN 0.127 nan 8.190 nan 0.000 0.487 319 c N 0.044 118.691 118.600 0.077 0.000 2.495 319 c HA 0.107 4.677 4.570 -0.000 0.000 0.275 319 c C 0.955 175.068 174.090 0.039 0.000 1.392 319 c CA -0.653 55.715 56.329 0.065 0.000 1.766 319 c CB -1.164 41.391 42.510 0.075 0.000 1.933 319 c HN 0.537 nan 8.230 nan 0.000 0.519 320 D N 2.332 122.752 120.400 0.033 0.000 2.661 320 D HA -0.026 4.614 4.640 -0.000 0.000 0.244 320 D C -1.486 174.825 176.300 0.019 0.000 1.196 320 D CA 0.141 54.154 54.000 0.022 0.000 0.881 320 D CB 0.378 41.188 40.800 0.018 0.000 1.141 320 D HN 0.287 nan 8.370 nan 0.000 0.530 321 P HA -0.043 nan 4.420 nan 0.000 0.220 321 P C 1.511 178.818 177.300 0.011 0.000 1.152 321 P CA 0.681 63.788 63.100 0.012 0.000 0.812 321 P CB 0.339 32.044 31.700 0.009 0.000 0.792 322 G N -0.692 108.114 108.800 0.010 0.000 2.421 322 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 322 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 322 G C 0.394 175.299 174.900 0.009 0.000 1.143 322 G CA 0.312 45.417 45.100 0.009 0.000 0.784 322 G HN 0.420 nan 8.290 nan 0.000 0.541 323 N N -1.746 116.961 118.700 0.011 0.000 2.329 323 N HA 0.402 5.142 4.740 -0.000 0.000 0.282 323 N C -0.137 175.383 175.510 0.016 0.000 1.198 323 N CA -0.225 52.832 53.050 0.012 0.000 0.790 323 N CB 1.268 39.760 38.487 0.008 0.000 1.579 323 N HN -0.103 nan 8.380 nan 0.000 0.475 324 T N -3.518 111.047 114.554 0.018 0.000 3.176 324 T HA 0.175 4.525 4.350 -0.000 0.000 0.263 324 T C 1.193 175.909 174.700 0.028 0.000 1.021 324 T CA -0.268 61.847 62.100 0.025 0.000 0.905 324 T CB 0.025 68.910 68.868 0.027 0.000 1.057 324 T HN 0.433 nan 8.240 nan 0.000 0.558 325 K N 2.127 122.538 120.400 0.018 0.000 2.090 325 K HA -0.169 4.151 4.320 -0.000 0.000 0.218 325 K C 1.826 178.444 176.600 0.030 0.000 1.055 325 K CA 2.086 58.382 56.287 0.015 0.000 0.941 325 K CB -1.234 31.270 32.500 0.006 0.000 0.722 325 K HN 0.325 nan 8.250 nan 0.000 0.458 326 V N 0.689 120.621 119.914 0.030 0.000 2.427 326 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 326 V C 2.367 178.508 176.094 0.078 0.000 1.051 326 V CA 1.964 64.288 62.300 0.040 0.000 1.048 326 V CB -0.482 31.346 31.823 0.008 0.000 0.666 326 V HN 0.344 nan 8.190 nan 0.000 0.456 327 M N -0.199 119.444 119.600 0.072 0.000 2.086 327 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 327 M C 2.008 178.393 176.300 0.142 0.000 1.067 327 M CA 1.721 57.086 55.300 0.108 0.000 1.116 327 M CB -1.099 31.545 32.600 0.072 0.000 1.348 327 M HN 0.346 nan 8.290 nan 0.000 0.407 328 D N 0.599 121.057 120.400 0.095 0.000 2.097 328 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 328 D C 1.930 178.308 176.300 0.129 0.000 0.989 328 D CA 1.266 55.319 54.000 0.089 0.000 0.827 328 D CB -0.365 40.461 40.800 0.042 0.000 0.966 328 D HN 0.355 nan 8.370 nan 0.000 0.456 329 K N -0.407 120.066 120.400 0.122 0.000 2.063 329 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 329 K C 2.285 179.020 176.600 0.225 0.000 1.048 329 K CA 0.950 57.336 56.287 0.165 0.000 0.928 329 K CB -0.237 32.332 32.500 0.114 0.000 0.713 329 K HN 0.111 nan 8.250 nan 0.000 0.442 330 Y N 1.640 121.989 120.300 0.081 0.000 2.145 330 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 330 Y C 2.126 178.062 175.900 0.061 0.000 1.145 330 Y CA 2.210 60.343 58.100 0.055 0.000 1.148 330 Y CB -0.706 37.767 38.460 0.021 0.000 0.981 330 Y HN 0.045 nan 8.280 nan 0.000 0.507 331 T N 1.201 115.736 114.554 -0.032 0.000 2.684 331 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 331 T C 1.574 176.220 174.700 -0.090 0.000 1.036 331 T CA 1.847 63.878 62.100 -0.116 0.000 1.148 331 T CB -0.915 67.976 68.868 0.039 0.000 0.863 331 T HN 0.482 nan 8.240 nan 0.000 0.436 332 F N 2.042 121.931 119.950 -0.101 0.000 2.075 332 F HA -0.092 4.435 4.527 0.000 0.000 0.297 332 F C 2.287 178.028 175.800 -0.099 0.000 1.113 332 F CA 1.518 59.472 58.000 -0.076 0.000 1.218 332 F CB -0.403 38.573 39.000 -0.040 0.000 0.984 332 F HN 0.177 nan 8.300 nan 0.000 0.472 333 E N 0.066 120.140 120.200 -0.211 0.000 2.153 333 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 333 E C 2.058 178.455 176.600 -0.337 0.000 0.988 333 E CA 1.219 57.430 56.400 -0.316 0.000 0.811 333 E CB -0.357 29.308 29.700 -0.058 0.000 0.746 333 E HN 0.425 nan 8.360 nan 0.000 0.466 334 L N 0.704 121.687 121.223 -0.401 0.000 2.005 334 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 334 L C 2.170 178.884 176.870 -0.260 0.000 1.072 334 L CA 1.719 56.332 54.840 -0.379 0.000 0.744 334 L CB -0.500 41.196 42.059 -0.604 0.000 0.895 334 L HN -0.104 nan 8.230 nan 0.000 0.433 335 S N 0.302 115.848 115.700 -0.257 0.000 2.374 335 S HA -0.242 4.228 4.470 -0.000 0.000 0.227 335 S C 1.801 176.285 174.600 -0.194 0.000 1.037 335 S CA 1.770 59.863 58.200 -0.180 0.000 1.024 335 S CB -0.532 62.586 63.200 -0.137 0.000 0.861 335 S HN 0.645 nan 8.310 nan 0.000 0.456 336 R N 0.786 121.091 120.500 -0.325 0.000 2.313 336 R HA 0.191 4.531 4.340 -0.000 0.000 0.199 336 R C 1.471 177.663 176.300 -0.179 0.000 0.958 336 R CA 0.569 56.501 56.100 -0.280 0.000 1.047 336 R CB -0.092 29.935 30.300 -0.455 0.000 0.955 336 R HN 0.263 nan 8.270 nan 0.000 0.481 337 R N -0.207 120.201 120.500 -0.154 0.000 2.453 337 R HA 0.153 4.493 4.340 -0.000 0.000 0.233 337 R C -0.336 175.937 176.300 -0.045 0.000 0.895 337 R CA 0.168 56.213 56.100 -0.092 0.000 1.028 337 R CB 1.250 31.494 30.300 -0.094 0.000 1.255 337 R HN 0.016 nan 8.270 nan 0.000 0.571 338 T N 1.134 115.661 114.554 -0.045 0.000 2.801 338 T HA 0.094 4.444 4.350 -0.000 0.000 0.306 338 T C -0.896 173.824 174.700 0.033 0.000 1.020 338 T CA -0.502 61.595 62.100 -0.005 0.000 0.948 338 T CB 0.933 69.788 68.868 -0.022 0.000 0.962 338 T HN 0.095 nan 8.240 nan 0.000 0.465 339 H N 3.957 123.002 119.070 -0.041 0.000 3.232 339 H HA 0.519 5.075 4.556 -0.000 0.000 0.254 339 H C -0.757 174.541 175.328 -0.050 0.000 1.213 339 H CA -0.565 55.461 56.048 -0.038 0.000 1.503 339 H CB -0.475 29.268 29.762 -0.033 0.000 1.563 339 H HN 0.401 nan 8.280 nan 0.000 0.490 340 L N 6.736 127.797 121.223 -0.270 0.000 2.643 340 L HA 0.405 4.745 4.340 -0.000 0.000 0.256 340 L C -2.782 174.014 176.870 -0.123 0.000 0.931 340 L CA -1.667 53.007 54.840 -0.277 0.000 0.895 340 L CB 2.096 44.076 42.059 -0.133 0.000 1.430 340 L HN 0.420 nan 8.230 nan 0.000 0.419 341 P HA 0.210 nan 4.420 nan 0.000 0.272 341 P C -0.170 177.243 177.300 0.189 0.000 1.223 341 P CA -0.190 62.966 63.100 0.093 0.000 0.784 341 P CB 0.610 32.416 31.700 0.177 0.000 0.923 342 E N 1.618 121.900 120.200 0.137 0.000 2.204 342 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 342 E C 1.288 177.993 176.600 0.175 0.000 0.990 342 E CA 1.539 58.019 56.400 0.133 0.000 0.821 342 E CB -1.523 28.236 29.700 0.099 0.000 0.750 342 E HN 0.209 nan 8.360 nan 0.000 0.477 343 V N -1.821 118.211 119.914 0.197 0.000 2.594 343 V HA -0.140 3.980 4.120 -0.000 0.000 0.253 343 V C 2.047 178.220 176.094 0.131 0.000 1.069 343 V CA 1.490 63.889 62.300 0.164 0.000 1.082 343 V CB -0.928 30.936 31.823 0.068 0.000 0.680 343 V HN 0.119 nan 8.190 nan 0.000 0.469 344 F N 0.382 120.435 119.950 0.172 0.000 2.118 344 F HA 0.133 4.660 4.527 -0.000 0.000 0.293 344 F C 2.226 178.191 175.800 0.275 0.000 1.102 344 F CA 1.788 59.975 58.000 0.312 0.000 1.247 344 F CB -0.495 38.661 39.000 0.259 0.000 1.017 344 F HN 0.031 nan 8.300 nan 0.000 0.475 345 L N -0.815 120.622 121.223 0.356 0.000 1.989 345 L HA -0.282 4.058 4.340 -0.000 0.000 0.211 345 L C 2.496 179.396 176.870 0.051 0.000 1.071 345 L CA 1.583 56.525 54.840 0.171 0.000 0.749 345 L CB -0.938 41.178 42.059 0.096 0.000 0.890 345 L HN 0.050 nan 8.230 nan 0.000 0.431 346 S N -0.662 115.052 115.700 0.023 0.000 2.383 346 S HA -0.243 4.226 4.470 -0.000 0.000 0.229 346 S C 1.954 176.500 174.600 -0.090 0.000 1.030 346 S CA 1.533 59.676 58.200 -0.095 0.000 1.002 346 S CB -0.201 62.867 63.200 -0.219 0.000 0.829 346 S HN 0.327 nan 8.310 nan 0.000 0.467 347 K N 0.717 121.101 120.400 -0.027 0.000 2.057 347 K HA -0.002 4.317 4.320 -0.000 0.000 0.206 347 K C 1.965 178.436 176.600 -0.214 0.000 1.050 347 K CA 1.200 57.447 56.287 -0.066 0.000 0.935 347 K CB -0.235 32.263 32.500 -0.003 0.000 0.715 347 K HN 0.227 nan 8.250 nan 0.000 0.439 348 V N 0.922 120.617 119.914 -0.366 0.000 3.052 348 V HA -0.007 4.113 4.120 -0.000 0.000 0.254 348 V C 1.763 177.725 176.094 -0.220 0.000 1.100 348 V CA 0.681 62.668 62.300 -0.521 0.000 1.112 348 V CB -0.049 31.178 31.823 -0.994 0.000 0.738 348 V HN 0.312 nan 8.190 nan 0.000 0.469 349 L N 0.087 121.240 121.223 -0.117 0.000 2.109 349 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 349 L C 2.499 179.347 176.870 -0.037 0.000 1.086 349 L CA 2.053 56.874 54.840 -0.030 0.000 0.760 349 L CB -0.494 41.564 42.059 -0.002 0.000 0.910 349 L HN 0.475 nan 8.230 nan 0.000 0.437 350 E N 0.753 120.911 120.200 -0.070 0.000 2.033 350 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 350 E C -0.547 176.025 176.600 -0.047 0.000 1.011 350 E CA 1.817 58.182 56.400 -0.059 0.000 0.815 350 E CB -0.679 28.979 29.700 -0.071 0.000 0.755 350 E HN 0.281 nan 8.360 nan 0.000 0.451 351 P HA -0.093 nan 4.420 nan 0.000 0.216 351 P C 1.296 178.572 177.300 -0.039 0.000 1.153 351 P CA 1.713 64.780 63.100 -0.054 0.000 0.848 351 P CB -0.106 31.548 31.700 -0.076 0.000 0.787 352 T N -0.107 114.422 114.554 -0.043 0.000 2.674 352 T HA -0.077 4.273 4.350 -0.000 0.000 0.265 352 T C 1.746 176.443 174.700 -0.005 0.000 1.039 352 T CA 1.100 63.188 62.100 -0.019 0.000 1.150 352 T CB -0.933 67.932 68.868 -0.005 0.000 0.864 352 T HN 0.040 nan 8.240 nan 0.000 0.427 353 L N 0.697 121.924 121.223 0.006 0.000 2.141 353 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 353 L C 2.654 179.530 176.870 0.011 0.000 1.094 353 L CA 1.169 56.017 54.840 0.013 0.000 0.763 353 L CB -0.424 41.654 42.059 0.032 0.000 0.908 353 L HN 0.239 nan 8.230 nan 0.000 0.437 354 K N -0.325 120.075 120.400 -0.000 0.000 2.103 354 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 354 K C 2.383 178.981 176.600 -0.003 0.000 1.052 354 K CA 1.393 57.678 56.287 -0.004 0.000 0.945 354 K CB 0.034 32.526 32.500 -0.014 0.000 0.722 354 K HN 0.083 nan 8.250 nan 0.000 0.443 355 S N 0.894 116.592 115.700 -0.003 0.000 2.348 355 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 355 S C 1.973 176.579 174.600 0.011 0.000 1.033 355 S CA 1.186 59.384 58.200 -0.003 0.000 1.010 355 S CB -0.326 62.873 63.200 -0.002 0.000 0.891 355 S HN 0.364 nan 8.310 nan 0.000 0.442 356 L N 0.989 122.239 121.223 0.045 0.000 2.043 356 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 356 L C 2.790 179.723 176.870 0.104 0.000 1.075 356 L CA 1.304 56.225 54.840 0.134 0.000 0.752 356 L CB -1.141 41.008 42.059 0.151 0.000 0.891 356 L HN 0.525 nan 8.230 nan 0.000 0.432 357 G N -0.531 108.305 108.800 0.060 0.000 2.537 357 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 357 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 357 G C 1.234 176.122 174.900 -0.020 0.000 1.111 357 G CA 0.482 45.602 45.100 0.034 0.000 0.748 357 G HN 0.501 nan 8.290 nan 0.000 0.564 358 E N -0.948 119.222 120.200 -0.050 0.000 2.502 358 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 358 E C 1.123 177.627 176.600 -0.161 0.000 1.062 358 E CA -0.244 56.107 56.400 -0.083 0.000 0.867 358 E CB 0.127 29.787 29.700 -0.066 0.000 0.888 358 E HN 0.388 nan 8.360 nan 0.000 0.510 359 c N -0.219 118.220 118.600 -0.269 0.000 2.780 359 c HA 0.171 4.741 4.570 -0.000 0.000 0.287 359 c C 1.989 175.847 174.090 -0.388 0.000 1.288 359 c CA -0.524 55.495 56.329 -0.517 0.000 1.713 359 c CB -1.145 40.588 42.510 -1.295 0.000 1.955 359 c HN 0.611 nan 8.230 nan 0.000 0.613 360 c N -0.329 118.166 118.600 -0.174 0.000 2.684 360 c HA 0.029 4.599 4.570 -0.000 0.000 0.283 360 c C 1.681 175.734 174.090 -0.061 0.000 1.346 360 c CA 0.874 57.160 56.329 -0.071 0.000 1.707 360 c CB -0.851 41.655 42.510 -0.008 0.000 2.137 360 c HN 0.547 nan 8.230 nan 0.000 0.544 361 D N 1.462 121.829 120.400 -0.056 0.000 3.008 361 D HA 0.202 4.842 4.640 -0.000 0.000 0.242 361 D C 0.062 176.329 176.300 -0.054 0.000 1.222 361 D CA 0.186 54.160 54.000 -0.043 0.000 0.883 361 D CB -0.279 40.502 40.800 -0.032 0.000 1.110 361 D HN 0.378 nan 8.370 nan 0.000 0.455 362 V N -2.896 116.975 119.914 -0.072 0.000 3.046 362 V HA 0.450 4.570 4.120 -0.000 0.000 0.316 362 V C 1.401 177.460 176.094 -0.058 0.000 1.104 362 V CA -0.815 61.441 62.300 -0.073 0.000 1.006 362 V CB 1.958 33.718 31.823 -0.106 0.000 1.058 362 V HN -0.008 nan 8.190 nan 0.000 0.440 363 E N 0.392 120.563 120.200 -0.049 0.000 2.085 363 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 363 E C 0.190 176.769 176.600 -0.036 0.000 0.994 363 E CA 1.724 58.103 56.400 -0.036 0.000 0.801 363 E CB 0.231 29.914 29.700 -0.030 0.000 0.743 363 E HN 0.875 nan 8.360 nan 0.000 0.453 364 D N -0.924 119.447 120.400 -0.050 0.000 2.476 364 D HA 0.138 4.778 4.640 -0.000 0.000 0.251 364 D C -0.154 176.097 176.300 -0.080 0.000 1.291 364 D CA -0.159 53.815 54.000 -0.044 0.000 0.939 364 D CB 1.666 42.448 40.800 -0.030 0.000 1.221 364 D HN -0.100 nan 8.370 nan 0.000 0.567 365 S N 1.405 117.059 115.700 -0.076 0.000 2.368 365 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 365 S C 1.875 176.423 174.600 -0.086 0.000 1.029 365 S CA 1.137 59.241 58.200 -0.160 0.000 0.988 365 S CB 0.125 63.303 63.200 -0.038 0.000 0.838 365 S HN 0.574 nan 8.310 nan 0.000 0.462 366 T N 2.117 116.718 114.554 0.078 0.000 2.720 366 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 366 T C 2.014 176.773 174.700 0.099 0.000 1.037 366 T CA 1.797 63.993 62.100 0.160 0.000 1.144 366 T CB -0.689 68.239 68.868 0.099 0.000 0.864 366 T HN 0.440 nan 8.240 nan 0.000 0.444 367 T N 0.882 115.447 114.554 0.018 0.000 2.708 367 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 367 T C 2.217 176.902 174.700 -0.024 0.000 1.037 367 T CA 1.275 63.375 62.100 -0.000 0.000 1.146 367 T CB -0.795 68.061 68.868 -0.019 0.000 0.865 367 T HN 0.551 nan 8.240 nan 0.000 0.435 368 c N 0.485 119.020 118.600 -0.109 0.000 2.437 368 c HA 0.090 4.660 4.570 -0.000 0.000 0.283 368 c C 2.217 176.213 174.090 -0.156 0.000 1.424 368 c CA 0.093 56.317 56.329 -0.174 0.000 1.782 368 c CB -2.050 40.287 42.510 -0.289 0.000 1.833 368 c HN 0.548 nan 8.230 nan 0.000 0.532 369 F N 0.809 120.746 119.950 -0.020 0.000 2.220 369 F HA 0.065 4.591 4.527 -0.000 0.000 0.290 369 F C 2.353 178.139 175.800 -0.023 0.000 1.080 369 F CA 0.773 58.757 58.000 -0.026 0.000 1.318 369 F CB -0.370 38.614 39.000 -0.027 0.000 1.063 369 F HN 0.124 nan 8.300 nan 0.000 0.498 370 N N 0.699 119.510 118.700 0.184 0.000 2.364 370 N HA -0.138 4.601 4.740 -0.000 0.000 0.183 370 N C 1.624 177.172 175.510 0.063 0.000 1.022 370 N CA 1.211 54.318 53.050 0.096 0.000 0.883 370 N CB -0.297 38.230 38.487 0.066 0.000 0.965 370 N HN 0.287 nan 8.380 nan 0.000 0.438 371 A N 1.122 123.974 122.820 0.054 0.000 1.887 371 A HA 0.001 4.321 4.320 -0.000 0.000 0.210 371 A C 2.142 179.745 177.584 0.033 0.000 1.221 371 A CA 0.780 52.835 52.037 0.030 0.000 0.635 371 A CB -0.318 18.688 19.000 0.009 0.000 0.881 371 A HN 0.160 nan 8.150 nan 0.000 0.456 372 K N -0.083 120.341 120.400 0.039 0.000 2.152 372 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 372 K C 1.902 178.535 176.600 0.053 0.000 1.048 372 K CA 1.369 57.680 56.287 0.040 0.000 0.933 372 K CB -0.541 31.983 32.500 0.040 0.000 0.721 372 K HN 0.373 nan 8.250 nan 0.000 0.447 373 G N 1.649 110.493 108.800 0.073 0.000 2.586 373 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 373 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 373 G C -0.966 173.950 174.900 0.027 0.000 1.216 373 G CA 0.977 46.105 45.100 0.046 0.000 0.786 373 G HN 0.366 nan 8.290 nan 0.000 0.583 374 P HA -0.010 nan 4.420 nan 0.000 0.219 374 P C 1.972 179.286 177.300 0.024 0.000 1.146 374 P CA 0.677 63.791 63.100 0.022 0.000 0.808 374 P CB -0.065 31.647 31.700 0.020 0.000 0.779 375 L N -1.611 119.626 121.223 0.024 0.000 2.007 375 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 375 L C 2.449 179.335 176.870 0.027 0.000 1.073 375 L CA 1.310 56.164 54.840 0.023 0.000 0.744 375 L CB -1.223 40.848 42.059 0.019 0.000 0.898 375 L HN -0.078 nan 8.230 nan 0.000 0.435 376 L N 0.200 121.438 121.223 0.024 0.000 2.079 376 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 376 L C 2.734 179.624 176.870 0.032 0.000 1.081 376 L CA 1.425 56.278 54.840 0.023 0.000 0.752 376 L CB -0.521 41.546 42.059 0.013 0.000 0.896 376 L HN 0.319 nan 8.230 nan 0.000 0.433 377 K N 0.518 120.936 120.400 0.030 0.000 2.057 377 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 377 K C 2.115 178.747 176.600 0.053 0.000 1.049 377 K CA 1.499 57.810 56.287 0.040 0.000 0.931 377 K CB 0.137 32.655 32.500 0.030 0.000 0.714 377 K HN -0.003 nan 8.250 nan 0.000 0.440 378 K N 0.996 121.424 120.400 0.046 0.000 2.103 378 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 378 K C 1.833 178.472 176.600 0.066 0.000 1.052 378 K CA 1.520 57.837 56.287 0.050 0.000 0.945 378 K CB 0.005 32.528 32.500 0.039 0.000 0.722 378 K HN 0.317 nan 8.250 nan 0.000 0.443 379 E N 0.102 120.341 120.200 0.065 0.000 2.072 379 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 379 E C 1.794 178.467 176.600 0.122 0.000 0.985 379 E CA 0.835 57.285 56.400 0.082 0.000 0.801 379 E CB -0.140 29.593 29.700 0.056 0.000 0.750 379 E HN 0.067 nan 8.360 nan 0.000 0.452 380 L N 0.876 122.162 121.223 0.105 0.000 2.056 380 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 380 L C 2.148 179.129 176.870 0.183 0.000 1.078 380 L CA 1.650 56.573 54.840 0.138 0.000 0.749 380 L CB -0.275 41.852 42.059 0.114 0.000 0.901 380 L HN -0.097 nan 8.230 nan 0.000 0.433 381 S N -1.285 114.493 115.700 0.130 0.000 2.368 381 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 381 S C 2.097 176.761 174.600 0.107 0.000 1.029 381 S CA 1.298 59.562 58.200 0.107 0.000 0.988 381 S CB -0.375 62.869 63.200 0.072 0.000 0.838 381 S HN 0.622 nan 8.310 nan 0.000 0.462 382 S N 0.657 116.426 115.700 0.115 0.000 2.368 382 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 382 S C 1.609 176.280 174.600 0.120 0.000 1.030 382 S CA 1.170 59.429 58.200 0.098 0.000 0.999 382 S CB -0.469 62.790 63.200 0.098 0.000 0.844 382 S HN 0.522 nan 8.310 nan 0.000 0.459 383 F N 1.735 121.718 119.950 0.055 0.000 2.113 383 F HA 0.066 4.593 4.527 -0.000 0.000 0.297 383 F C 1.885 177.730 175.800 0.075 0.000 1.103 383 F CA 1.495 59.545 58.000 0.084 0.000 1.248 383 F CB -0.276 38.783 39.000 0.100 0.000 0.999 383 F HN 0.210 nan 8.300 nan 0.000 0.475 384 I N 0.134 120.834 120.570 0.216 0.000 2.286 384 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 384 I C 1.892 177.970 176.117 -0.065 0.000 1.115 384 I CA 1.360 62.706 61.300 0.076 0.000 1.392 384 I CB -0.601 37.470 38.000 0.118 0.000 1.065 384 I HN 0.117 nan 8.210 nan 0.000 0.418 385 D N 0.907 121.289 120.400 -0.030 0.000 2.097 385 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 385 D C 2.081 178.321 176.300 -0.099 0.000 0.989 385 D CA 1.246 55.217 54.000 -0.048 0.000 0.827 385 D CB -0.188 40.604 40.800 -0.013 0.000 0.966 385 D HN 0.078 nan 8.370 nan 0.000 0.456 386 K N 0.807 121.133 120.400 -0.124 0.000 2.097 386 K HA -0.028 4.291 4.320 -0.000 0.000 0.205 386 K C 1.948 178.411 176.600 -0.229 0.000 1.050 386 K CA 1.560 57.759 56.287 -0.147 0.000 0.938 386 K CB -0.769 31.652 32.500 -0.131 0.000 0.718 386 K HN 0.124 nan 8.250 nan 0.000 0.442 387 G N 0.177 108.745 108.800 -0.386 0.000 2.408 387 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 387 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 387 G C 1.341 175.904 174.900 -0.563 0.000 1.150 387 G CA 0.545 45.244 45.100 -0.668 0.000 0.776 387 G HN 0.440 nan 8.290 nan 0.000 0.542 388 Q N -0.353 119.242 119.800 -0.341 0.000 2.291 388 Q HA -0.030 4.310 4.340 -0.000 0.000 0.205 388 Q C 2.288 178.210 176.000 -0.129 0.000 0.970 388 Q CA 0.977 56.646 55.803 -0.223 0.000 0.876 388 Q CB 0.015 28.684 28.738 -0.116 0.000 0.935 388 Q HN 0.679 nan 8.270 nan 0.000 0.455 389 E N 0.808 120.937 120.200 -0.119 0.000 2.076 389 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 389 E C 1.918 178.500 176.600 -0.031 0.000 0.979 389 E CA 0.299 56.666 56.400 -0.055 0.000 0.807 389 E CB 0.104 29.771 29.700 -0.054 0.000 0.761 389 E HN 0.296 nan 8.360 nan 0.000 0.454 390 L N 0.231 121.414 121.223 -0.067 0.000 2.127 390 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 390 L C 2.103 179.042 176.870 0.115 0.000 1.089 390 L CA 0.801 55.656 54.840 0.024 0.000 0.757 390 L CB -0.130 41.969 42.059 0.066 0.000 0.899 390 L HN 0.364 nan 8.230 nan 0.000 0.434 391 c N -0.451 118.145 118.600 -0.007 0.000 3.038 391 c HA 0.429 4.999 4.570 -0.000 0.000 0.279 391 c C 1.451 175.598 174.090 0.094 0.000 1.276 391 c CA -1.251 55.084 56.329 0.010 0.000 1.697 391 c CB -0.986 41.428 42.510 -0.158 0.000 2.032 391 c HN 0.394 nan 8.230 nan 0.000 0.636 392 A N 1.658 124.541 122.820 0.105 0.000 2.573 392 A HA 0.217 4.537 4.320 -0.000 0.000 0.250 392 A C 0.826 178.563 177.584 0.255 0.000 1.049 392 A CA 1.055 53.181 52.037 0.149 0.000 0.767 392 A CB -0.080 18.980 19.000 0.101 0.000 0.965 392 A HN 0.721 nan 8.150 nan 0.000 0.514 393 D N -0.064 120.475 120.400 0.232 0.000 2.653 393 D HA -0.278 4.362 4.640 -0.000 0.000 0.184 393 D C 0.565 177.010 176.300 0.240 0.000 0.993 393 D CA 2.134 56.285 54.000 0.251 0.000 1.027 393 D CB -1.525 39.450 40.800 0.291 0.000 1.089 393 D HN 0.856 nan 8.370 nan 0.000 0.447 394 Y N 1.529 121.808 120.300 -0.034 0.000 2.145 394 Y HA -0.170 4.380 4.550 -0.000 0.000 0.286 394 Y C 2.511 178.324 175.900 -0.145 0.000 1.145 394 Y CA 2.542 60.388 58.100 -0.424 0.000 1.148 394 Y CB -0.093 38.052 38.460 -0.525 0.000 0.981 394 Y HN 0.023 nan 8.280 nan 0.000 0.507 395 S N -0.057 115.664 115.700 0.035 0.000 2.387 395 S HA -0.133 4.337 4.470 -0.000 0.000 0.226 395 S C 1.381 175.950 174.600 -0.051 0.000 1.026 395 S CA 1.428 59.636 58.200 0.014 0.000 0.972 395 S CB -0.203 63.148 63.200 0.252 0.000 0.814 395 S HN 0.502 nan 8.310 nan 0.000 0.477 396 E N 1.402 121.590 120.200 -0.020 0.000 2.502 396 E HA 0.181 4.531 4.350 -0.000 0.000 0.194 396 E C 0.143 176.721 176.600 -0.037 0.000 1.062 396 E CA 0.198 56.574 56.400 -0.039 0.000 0.867 396 E CB 0.054 29.732 29.700 -0.037 0.000 0.888 396 E HN 0.342 nan 8.360 nan 0.000 0.510 397 N N -0.180 118.487 118.700 -0.056 0.000 2.455 397 N HA 0.208 4.948 4.740 -0.000 0.000 0.278 397 N C -0.553 174.922 175.510 -0.059 0.000 1.291 397 N CA -0.428 52.606 53.050 -0.028 0.000 0.780 397 N CB 1.758 40.270 38.487 0.042 0.000 1.520 397 N HN 0.008 nan 8.380 nan 0.000 0.486 398 T N -1.864 112.685 114.554 -0.008 0.000 2.813 398 T HA 0.144 4.494 4.350 -0.000 0.000 0.297 398 T C 1.325 176.078 174.700 0.090 0.000 1.036 398 T CA -0.363 61.749 62.100 0.020 0.000 1.044 398 T CB 0.398 69.288 68.868 0.038 0.000 0.993 398 T HN 0.360 nan 8.240 nan 0.000 0.535 399 F N 2.062 122.000 119.950 -0.020 0.000 2.065 399 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 399 F C 2.840 178.743 175.800 0.171 0.000 1.112 399 F CA 2.679 60.736 58.000 0.095 0.000 1.212 399 F CB -1.115 37.939 39.000 0.090 0.000 0.975 399 F HN 0.900 nan 8.300 nan 0.000 0.476 400 T N -2.159 112.477 114.554 0.138 0.000 2.684 400 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 400 T C 1.816 176.483 174.700 -0.055 0.000 1.036 400 T CA 1.531 63.637 62.100 0.010 0.000 1.148 400 T CB -0.776 68.129 68.868 0.062 0.000 0.863 400 T HN 0.279 nan 8.240 nan 0.000 0.436 401 E N 0.407 120.604 120.200 -0.005 0.000 2.265 401 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 401 E C 1.710 178.295 176.600 -0.026 0.000 0.996 401 E CA 0.742 57.132 56.400 -0.016 0.000 0.832 401 E CB -0.596 29.108 29.700 0.006 0.000 0.756 401 E HN 0.803 nan 8.360 nan 0.000 0.491 402 Y N 0.837 121.051 120.300 -0.143 0.000 2.206 402 Y HA -0.043 4.507 4.550 -0.000 0.000 0.292 402 Y C 1.611 177.404 175.900 -0.178 0.000 1.123 402 Y CA 1.438 59.447 58.100 -0.152 0.000 1.142 402 Y CB -0.125 38.222 38.460 -0.188 0.000 1.006 402 Y HN -0.141 nan 8.280 nan 0.000 0.518 403 K N 1.142 121.145 120.400 -0.661 0.000 2.044 403 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 403 K C 1.972 178.330 176.600 -0.403 0.000 1.049 403 K CA 1.960 57.861 56.287 -0.643 0.000 0.927 403 K CB -0.442 31.813 32.500 -0.408 0.000 0.713 403 K HN 0.436 nan 8.250 nan 0.000 0.443 404 K N 1.185 121.433 120.400 -0.253 0.000 2.009 404 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 404 K C 2.229 178.736 176.600 -0.155 0.000 1.049 404 K CA 1.581 57.772 56.287 -0.160 0.000 0.929 404 K CB -0.160 32.281 32.500 -0.099 0.000 0.714 404 K HN 0.168 nan 8.250 nan 0.000 0.440 405 K N 0.692 120.999 120.400 -0.154 0.000 2.097 405 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 405 K C 2.156 178.671 176.600 -0.141 0.000 1.049 405 K CA 0.905 57.127 56.287 -0.108 0.000 0.933 405 K CB -0.220 32.249 32.500 -0.052 0.000 0.717 405 K HN 0.039 nan 8.250 nan 0.000 0.442 406 L N 1.371 122.429 121.223 -0.275 0.000 1.994 406 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 406 L C 2.269 179.038 176.870 -0.168 0.000 1.071 406 L CA 1.965 56.646 54.840 -0.265 0.000 0.745 406 L CB -0.844 40.900 42.059 -0.525 0.000 0.892 406 L HN 0.120 nan 8.230 nan 0.000 0.431 407 A N -0.788 121.926 122.820 -0.177 0.000 1.908 407 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 407 A C 2.259 179.795 177.584 -0.080 0.000 1.181 407 A CA 1.867 53.836 52.037 -0.113 0.000 0.627 407 A CB -0.816 18.120 19.000 -0.107 0.000 0.818 407 A HN 0.584 nan 8.150 nan 0.000 0.445 408 E N -0.100 120.052 120.200 -0.080 0.000 2.077 408 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 408 E C 2.206 178.780 176.600 -0.044 0.000 0.989 408 E CA 1.528 57.895 56.400 -0.055 0.000 0.800 408 E CB -0.189 29.480 29.700 -0.051 0.000 0.746 408 E HN 0.596 nan 8.360 nan 0.000 0.452 409 R N -0.388 120.084 120.500 -0.047 0.000 2.096 409 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 409 R C 2.458 178.740 176.300 -0.030 0.000 1.127 409 R CA 1.324 57.405 56.100 -0.031 0.000 0.968 409 R CB -0.298 29.988 30.300 -0.022 0.000 0.861 409 R HN 0.258 nan 8.270 nan 0.000 0.440 410 L N 0.494 121.694 121.223 -0.038 0.000 2.109 410 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 410 L C 2.244 179.097 176.870 -0.028 0.000 1.086 410 L CA 1.308 56.129 54.840 -0.033 0.000 0.760 410 L CB -0.341 41.695 42.059 -0.038 0.000 0.910 410 L HN 0.127 nan 8.230 nan 0.000 0.437 411 K N 0.416 120.797 120.400 -0.032 0.000 2.032 411 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 411 K C 2.247 178.834 176.600 -0.021 0.000 1.048 411 K CA 1.505 57.776 56.287 -0.026 0.000 0.927 411 K CB -0.308 32.175 32.500 -0.028 0.000 0.712 411 K HN 0.269 nan 8.250 nan 0.000 0.441 412 A N 1.685 124.493 122.820 -0.021 0.000 1.978 412 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 412 A C 1.784 179.359 177.584 -0.015 0.000 1.170 412 A CA 1.581 53.608 52.037 -0.017 0.000 0.636 412 A CB -0.228 18.762 19.000 -0.016 0.000 0.810 412 A HN 0.223 nan 8.150 nan 0.000 0.448 413 K N -1.123 119.267 120.400 -0.016 0.000 2.314 413 K HA 0.230 4.550 4.320 -0.000 0.000 0.198 413 K C -0.279 176.312 176.600 -0.014 0.000 1.045 413 K CA 0.407 56.685 56.287 -0.015 0.000 0.988 413 K CB 0.100 32.590 32.500 -0.016 0.000 0.783 413 K HN 0.411 nan 8.250 nan 0.000 0.484 414 L N 2.327 123.541 121.223 -0.016 0.000 2.556 414 L HA 0.234 4.574 4.340 -0.000 0.000 0.243 414 L C -1.863 174.999 176.870 -0.013 0.000 1.331 414 L CA -1.328 53.503 54.840 -0.014 0.000 0.927 414 L CB 0.915 42.965 42.059 -0.015 0.000 1.219 414 L HN -0.113 nan 8.230 nan 0.000 0.490 415 P HA -0.206 nan 4.420 nan 0.000 0.216 415 P C 0.505 177.799 177.300 -0.010 0.000 1.153 415 P CA 1.389 64.483 63.100 -0.011 0.000 0.858 415 P CB 0.460 32.154 31.700 -0.010 0.000 0.789 416 D N -0.396 119.999 120.400 -0.009 0.000 2.340 416 D HA 0.159 4.799 4.640 -0.000 0.000 0.220 416 D C 0.735 177.030 176.300 -0.009 0.000 1.039 416 D CA 0.078 54.073 54.000 -0.008 0.000 0.866 416 D CB 0.127 40.923 40.800 -0.007 0.000 0.913 416 D HN 0.143 nan 8.370 nan 0.000 0.523 417 A N 1.406 124.220 122.820 -0.010 0.000 2.488 417 A HA 0.265 4.585 4.320 -0.000 0.000 0.249 417 A C 0.930 178.508 177.584 -0.010 0.000 1.083 417 A CA -0.173 51.858 52.037 -0.010 0.000 0.768 417 A CB 0.123 19.115 19.000 -0.013 0.000 1.017 417 A HN 0.142 nan 8.150 nan 0.000 0.496 418 T N 1.021 115.570 114.554 -0.009 0.000 2.904 418 T HA 0.412 4.762 4.350 -0.000 0.000 0.290 418 T C -1.796 172.899 174.700 -0.009 0.000 1.018 418 T CA -1.430 60.665 62.100 -0.008 0.000 1.075 418 T CB 0.881 69.746 68.868 -0.006 0.000 0.986 418 T HN 0.327 nan 8.240 nan 0.000 0.523 419 P HA -0.117 nan 4.420 nan 0.000 0.217 419 P C 1.599 178.894 177.300 -0.008 0.000 1.151 419 P CA 1.286 64.380 63.100 -0.010 0.000 0.849 419 P CB -0.178 31.517 31.700 -0.009 0.000 0.787 420 T N -0.707 113.844 114.554 -0.005 0.000 2.777 420 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 420 T C 1.597 176.296 174.700 -0.002 0.000 1.040 420 T CA 1.323 63.421 62.100 -0.002 0.000 1.141 420 T CB -0.627 68.240 68.868 -0.000 0.000 0.868 420 T HN 0.341 nan 8.240 nan 0.000 0.444 421 E N 0.660 120.858 120.200 -0.004 0.000 2.106 421 E HA -0.012 4.338 4.350 -0.000 0.000 0.192 421 E C 2.180 178.775 176.600 -0.007 0.000 0.984 421 E CA 0.693 57.090 56.400 -0.005 0.000 0.806 421 E CB -0.214 29.483 29.700 -0.006 0.000 0.750 421 E HN 0.395 nan 8.360 nan 0.000 0.458 422 L N 0.500 121.717 121.223 -0.011 0.000 2.056 422 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 422 L C 2.554 179.415 176.870 -0.015 0.000 1.078 422 L CA 0.883 55.713 54.840 -0.016 0.000 0.749 422 L CB -0.362 41.684 42.059 -0.021 0.000 0.901 422 L HN 0.145 nan 8.230 nan 0.000 0.433 423 A N 0.117 122.931 122.820 -0.010 0.000 1.902 423 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 423 A C 2.293 179.880 177.584 0.005 0.000 1.181 423 A CA 1.697 53.731 52.037 -0.005 0.000 0.623 423 A CB -0.332 18.668 19.000 -0.000 0.000 0.818 423 A HN 0.320 nan 8.150 nan 0.000 0.443 424 K N -0.477 119.927 120.400 0.006 0.000 2.097 424 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 424 K C 1.813 178.422 176.600 0.016 0.000 1.049 424 K CA 1.335 57.630 56.287 0.014 0.000 0.933 424 K CB -0.338 32.168 32.500 0.010 0.000 0.717 424 K HN 0.469 nan 8.250 nan 0.000 0.442 425 L N 0.366 121.592 121.223 0.005 0.000 2.109 425 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 425 L C 2.304 179.180 176.870 0.009 0.000 1.086 425 L CA 0.645 55.487 54.840 0.003 0.000 0.760 425 L CB -0.348 41.705 42.059 -0.010 0.000 0.910 425 L HN -0.032 nan 8.230 nan 0.000 0.437 426 V N 0.314 120.225 119.914 -0.006 0.000 2.307 426 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 426 V C 2.268 178.378 176.094 0.027 0.000 1.045 426 V CA 2.147 64.433 62.300 -0.022 0.000 1.024 426 V CB -0.711 31.076 31.823 -0.059 0.000 0.651 426 V HN 0.519 nan 8.190 nan 0.000 0.449 427 N N 0.514 119.240 118.700 0.043 0.000 2.043 427 N HA -0.243 4.497 4.740 -0.000 0.000 0.193 427 N C 1.887 177.467 175.510 0.118 0.000 1.037 427 N CA 2.059 55.160 53.050 0.084 0.000 0.851 427 N CB -0.269 38.257 38.487 0.066 0.000 1.027 427 N HN 0.412 nan 8.380 nan 0.000 0.422 428 K N -0.264 120.190 120.400 0.091 0.000 2.026 428 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 428 K C 2.173 178.868 176.600 0.158 0.000 1.048 428 K CA 1.071 57.421 56.287 0.106 0.000 0.929 428 K CB -0.135 32.400 32.500 0.058 0.000 0.713 428 K HN 0.031 nan 8.250 nan 0.000 0.439 429 R N 1.043 121.624 120.500 0.134 0.000 2.081 429 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 429 R C 2.193 178.691 176.300 0.329 0.000 1.131 429 R CA 2.334 58.548 56.100 0.191 0.000 0.960 429 R CB -0.679 29.692 30.300 0.119 0.000 0.856 429 R HN 0.323 nan 8.270 nan 0.000 0.436 430 S N -0.497 115.387 115.700 0.306 0.000 2.383 430 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 430 S C 1.788 176.674 174.600 0.476 0.000 1.026 430 S CA 1.260 59.750 58.200 0.483 0.000 0.981 430 S CB -0.494 62.911 63.200 0.341 0.000 0.818 430 S HN 0.466 nan 8.310 nan 0.000 0.472 431 D N 0.979 121.591 120.400 0.353 0.000 2.097 431 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 431 D C 1.664 178.112 176.300 0.246 0.000 0.989 431 D CA 1.297 55.464 54.000 0.278 0.000 0.827 431 D CB -0.454 40.475 40.800 0.215 0.000 0.966 431 D HN 0.386 nan 8.370 nan 0.000 0.456 432 F N 1.010 121.044 119.950 0.140 0.000 2.095 432 F HA -0.158 4.368 4.527 -0.000 0.000 0.298 432 F C 2.105 177.934 175.800 0.049 0.000 1.104 432 F CA 1.993 60.061 58.000 0.115 0.000 1.232 432 F CB -0.613 38.444 39.000 0.094 0.000 0.987 432 F HN 0.032 nan 8.300 nan 0.000 0.475 433 A N -0.129 122.713 122.820 0.037 0.000 1.972 433 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 433 A C 2.303 179.406 177.584 -0.801 0.000 1.169 433 A CA 1.922 53.735 52.037 -0.375 0.000 0.635 433 A CB -1.360 17.513 19.000 -0.212 0.000 0.810 433 A HN 0.556 nan 8.150 nan 0.000 0.446 434 S N -0.269 115.235 115.700 -0.326 0.000 2.453 434 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 434 S C 1.429 175.922 174.600 -0.179 0.000 1.005 434 S CA 1.105 59.194 58.200 -0.185 0.000 0.949 434 S CB -0.316 62.910 63.200 0.044 0.000 0.774 434 S HN 0.578 nan 8.310 nan 0.000 0.510 435 N N 0.033 118.621 118.700 -0.187 0.000 2.368 435 N HA 0.200 4.940 4.740 -0.000 0.000 0.178 435 N C 0.124 175.529 175.510 -0.176 0.000 1.076 435 N CA 0.537 53.527 53.050 -0.101 0.000 0.889 435 N CB 0.426 38.949 38.487 0.060 0.000 1.040 435 N HN 0.422 nan 8.380 nan 0.000 0.463 436 c N -0.419 117.930 118.600 -0.419 0.000 3.226 436 c HA 0.396 4.966 4.570 -0.000 0.000 0.258 436 c C 1.267 175.217 174.090 -0.234 0.000 1.688 436 c CA -0.665 55.432 56.329 -0.388 0.000 1.774 436 c CB -1.141 40.935 42.510 -0.723 0.000 3.167 436 c HN 0.431 nan 8.230 nan 0.000 0.509 437 c N -0.185 118.231 118.600 -0.306 0.000 3.642 437 c HA 0.211 4.781 4.570 -0.000 0.000 0.305 437 c C 1.321 175.379 174.090 -0.053 0.000 1.492 437 c CA 0.136 56.343 56.329 -0.204 0.000 1.809 437 c CB -1.015 41.242 42.510 -0.422 0.000 2.639 437 c HN 0.577 nan 8.230 nan 0.000 0.672 438 S N 0.618 116.295 115.700 -0.038 0.000 2.632 438 S HA 0.322 4.792 4.470 -0.000 0.000 0.267 438 S C 1.061 175.678 174.600 0.028 0.000 1.276 438 S CA -0.361 57.878 58.200 0.065 0.000 0.998 438 S CB 0.605 63.832 63.200 0.045 0.000 0.953 438 S HN 0.450 nan 8.310 nan 0.000 0.547 439 I N 1.225 121.805 120.570 0.017 0.000 2.676 439 I HA -0.039 4.131 4.170 -0.000 0.000 0.259 439 I C 0.095 176.195 176.117 -0.028 0.000 1.194 439 I CA 1.003 62.303 61.300 0.000 0.000 1.473 439 I CB 0.112 38.101 38.000 -0.018 0.000 1.096 439 I HN 0.411 nan 8.210 nan 0.000 0.443 440 N N 1.248 119.914 118.700 -0.058 0.000 2.699 440 N HA 0.197 4.937 4.740 -0.000 0.000 0.317 440 N C -0.710 174.791 175.510 -0.014 0.000 1.661 440 N CA -0.037 52.980 53.050 -0.055 0.000 0.979 440 N CB 0.885 39.281 38.487 -0.152 0.000 1.329 440 N HN 0.053 nan 8.380 nan 0.000 0.497 441 S N 1.919 117.614 115.700 -0.008 0.000 2.592 441 S HA 0.289 4.759 4.470 -0.000 0.000 0.271 441 S C -2.166 172.412 174.600 -0.036 0.000 1.326 441 S CA -0.785 57.398 58.200 -0.030 0.000 1.024 441 S CB 0.807 63.990 63.200 -0.028 0.000 0.921 441 S HN 0.263 nan 8.310 nan 0.000 0.527 442 P HA 0.176 nan 4.420 nan 0.000 0.269 442 P C -2.315 174.961 177.300 -0.040 0.000 1.252 442 P CA -1.337 61.693 63.100 -0.118 0.000 0.780 442 P CB 0.413 31.955 31.700 -0.263 0.000 0.829 443 P HA -0.190 nan 4.420 nan 0.000 0.214 443 P C 1.775 179.013 177.300 -0.104 0.000 1.169 443 P CA 1.482 64.464 63.100 -0.198 0.000 0.908 443 P CB -0.090 31.216 31.700 -0.656 0.000 0.791 444 L N -2.834 118.329 121.223 -0.101 0.000 2.017 444 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 444 L C 2.684 179.595 176.870 0.068 0.000 1.073 444 L CA 1.702 56.527 54.840 -0.025 0.000 0.745 444 L CB -1.104 40.941 42.059 -0.024 0.000 0.894 444 L HN -0.030 nan 8.230 nan 0.000 0.432 445 Y N 0.014 120.323 120.300 0.016 0.000 2.181 445 Y HA -0.269 4.281 4.550 -0.000 0.000 0.288 445 Y C 2.601 178.534 175.900 0.056 0.000 1.146 445 Y CA 1.618 59.773 58.100 0.092 0.000 1.164 445 Y CB -0.288 38.325 38.460 0.254 0.000 0.982 445 Y HN 0.150 nan 8.280 nan 0.000 0.515 446 c N 0.107 118.786 118.600 0.131 0.000 2.468 446 c HA -0.049 4.521 4.570 -0.000 0.000 0.277 446 c C 2.324 176.383 174.090 -0.052 0.000 1.400 446 c CA 0.912 57.245 56.329 0.006 0.000 1.770 446 c CB -1.191 41.310 42.510 -0.015 0.000 1.905 446 c HN 0.658 nan 8.230 nan 0.000 0.519 447 D N 1.119 121.499 120.400 -0.034 0.000 2.097 447 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 447 D C 2.173 178.450 176.300 -0.038 0.000 0.989 447 D CA 1.748 55.732 54.000 -0.028 0.000 0.827 447 D CB 0.157 40.954 40.800 -0.005 0.000 0.966 447 D HN 0.353 nan 8.370 nan 0.000 0.456 448 S N 0.098 115.760 115.700 -0.064 0.000 2.338 448 S HA -0.124 4.345 4.470 -0.000 0.000 0.218 448 S C 1.808 176.361 174.600 -0.078 0.000 1.032 448 S CA 0.850 59.004 58.200 -0.076 0.000 0.999 448 S CB -0.387 62.746 63.200 -0.112 0.000 0.905 448 S HN 0.278 nan 8.310 nan 0.000 0.439 449 E N 1.275 121.404 120.200 -0.118 0.000 2.085 449 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 449 E C 2.037 178.706 176.600 0.115 0.000 0.994 449 E CA 0.772 57.172 56.400 0.000 0.000 0.801 449 E CB -0.508 29.226 29.700 0.056 0.000 0.743 449 E HN 0.511 nan 8.360 nan 0.000 0.453 450 I N 1.461 122.106 120.570 0.125 0.000 2.208 450 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 450 I C 1.929 178.048 176.117 0.002 0.000 1.097 450 I CA 1.163 62.497 61.300 0.055 0.000 1.363 450 I CB -0.241 37.646 38.000 -0.188 0.000 1.051 450 I HN -0.010 nan 8.210 nan 0.000 0.413 451 D N 1.058 121.461 120.400 0.005 0.000 2.104 451 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 451 D C 2.255 178.544 176.300 -0.018 0.000 0.994 451 D CA 1.697 55.705 54.000 0.014 0.000 0.830 451 D CB -0.211 40.594 40.800 0.008 0.000 0.959 451 D HN 0.348 nan 8.370 nan 0.000 0.452 452 A N 1.473 124.267 122.820 -0.043 0.000 1.883 452 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 452 A C 2.020 179.540 177.584 -0.106 0.000 1.186 452 A CA 1.456 53.454 52.037 -0.064 0.000 0.624 452 A CB -0.393 18.567 19.000 -0.068 0.000 0.822 452 A HN 0.081 nan 8.150 nan 0.000 0.444 453 E N -0.001 120.087 120.200 -0.186 0.000 2.204 453 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 453 E C 2.006 178.496 176.600 -0.184 0.000 0.989 453 E CA 0.559 56.782 56.400 -0.295 0.000 0.824 453 E CB -0.370 28.899 29.700 -0.719 0.000 0.756 453 E HN 0.688 nan 8.360 nan 0.000 0.477 454 L N 0.577 121.739 121.223 -0.101 0.000 2.046 454 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 454 L C 2.110 178.954 176.870 -0.044 0.000 1.077 454 L CA 1.219 56.026 54.840 -0.055 0.000 0.747 454 L CB -0.270 41.793 42.059 0.007 0.000 0.896 454 L HN 0.023 nan 8.230 nan 0.000 0.432 455 K N -0.265 120.112 120.400 -0.038 0.000 2.525 455 K HA -0.028 4.292 4.320 -0.000 0.000 0.192 455 K C 0.649 177.224 176.600 -0.041 0.000 1.029 455 K CA -0.058 56.212 56.287 -0.028 0.000 1.029 455 K CB -0.237 32.252 32.500 -0.019 0.000 0.814 455 K HN 0.379 nan 8.250 nan 0.000 0.503 456 N N 0.802 119.463 118.700 -0.065 0.000 2.379 456 N HA 0.081 4.821 4.740 -0.000 0.000 0.260 456 N C -0.013 175.463 175.510 -0.057 0.000 1.254 456 N CA -0.519 52.490 53.050 -0.068 0.000 0.958 456 N CB 0.590 39.015 38.487 -0.103 0.000 1.208 456 N HN -0.253 nan 8.380 nan 0.000 0.532 457 I N 0.000 120.541 120.570 -0.049 0.000 2.984 457 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 457 I CA 0.000 61.277 61.300 -0.038 0.000 1.566 457 I CB 0.000 37.975 38.000 -0.042 0.000 1.214 457 I HN 0.000 nan 8.210 nan 0.000 0.494