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 2h5l_1_E DATA FIRST_RESID 2 DATA SEQUENCE DKLPYKVADI GLAAWGRKAL DIAENEMPGL MRMREMYSAS KPLKGARIAG DATA SEQUENCE CLHMTVETAV LIETLVALGA EVRWSSCNIF STQDHAAAAI AKAGIPVFAW DATA SEQUENCE KGETDEEYLW CIEQTLHFKD GPLNMILDDG GDLTNLIHTK HPQLLSGIRG DATA SEQUENCE ISEETTTGVH NLYKMMANGI LKVPAINVND SVTKSKFDNL YGCRESLIDG DATA SEQUENCE IKRATDVMIA GKVAVVAGYG DVGKGCAQAL RGFGARVIIT EIDPINALQA DATA SEQUENCE AMEGYEVTTM DEACKEGNIF VTTTGCVDII LGRHFEQMKD DAIVCNIGHF DATA SEQUENCE DVEIDVKWLN ENAVEKVNIK PQVDRYLLKN GHRIILLAEG RLVNLGCAMG DATA SEQUENCE HPSFVMSNSF TNQVMAQIEL WTHPDKYPVG VHFLPKKLDE AVAEAHLGKL DATA SEQUENCE NVKLTKLTEK QAQYLGMPIN GPFKPDHYRY 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.323 176.300 0.038 0.000 2.045 2 D CA 0.000 54.006 54.000 0.010 0.000 0.868 2 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 3 K N 0.690 121.119 120.400 0.048 0.000 2.233 3 K HA 0.447 4.767 4.320 -0.000 0.000 0.239 3 K C -0.099 176.588 176.600 0.145 0.000 1.064 3 K CA -0.454 55.902 56.287 0.114 0.000 0.884 3 K CB -0.039 32.531 32.500 0.116 0.000 1.166 3 K HN 0.176 nan 8.250 nan 0.000 0.512 4 L N 0.292 121.648 121.223 0.221 0.000 2.472 4 L HA 0.069 4.409 4.340 -0.000 0.000 0.273 4 L C -1.425 175.557 176.870 0.186 0.000 1.254 4 L CA -0.431 54.503 54.840 0.157 0.000 0.823 4 L CB -0.847 41.300 42.059 0.147 0.000 1.096 4 L HN 0.558 nan 8.230 nan 0.000 0.521 5 P HA 0.023 nan 4.420 nan 0.000 0.230 5 P C -0.661 176.641 177.300 0.004 0.000 1.168 5 P CA 1.089 64.233 63.100 0.074 0.000 0.793 5 P CB 0.132 31.865 31.700 0.056 0.000 0.851 6 Y N -1.855 118.292 120.300 -0.254 0.000 2.891 6 Y HA 0.612 5.162 4.550 -0.000 0.000 0.361 6 Y C -2.046 173.656 175.900 -0.330 0.000 1.255 6 Y CA -2.123 55.480 58.100 -0.828 0.000 1.103 6 Y CB 0.189 38.340 38.460 -0.515 0.000 1.454 6 Y HN -0.170 nan 8.280 nan 0.000 0.449 7 K N 0.903 121.314 120.400 0.019 0.000 2.587 7 K HA 0.687 5.007 4.320 -0.000 0.000 0.256 7 K C -1.816 175.012 176.600 0.380 0.000 0.974 7 K CA -0.196 56.224 56.287 0.222 0.000 0.855 7 K CB 1.982 34.671 32.500 0.315 0.000 1.292 7 K HN 1.440 nan 8.250 nan 0.000 0.444 8 V N -1.194 118.914 119.914 0.323 0.000 3.105 8 V HA 0.879 4.999 4.120 -0.000 0.000 0.311 8 V C 0.781 176.958 176.094 0.137 0.000 1.287 8 V CA -0.281 62.198 62.300 0.298 0.000 1.066 8 V CB 1.364 33.311 31.823 0.207 0.000 1.105 8 V HN 0.824 nan 8.190 nan 0.000 0.462 9 A N -0.143 122.777 122.820 0.167 0.000 1.898 9 A HA 0.249 4.569 4.320 -0.000 0.000 0.214 9 A C 0.797 178.401 177.584 0.033 0.000 1.183 9 A CA 1.978 54.039 52.037 0.039 0.000 0.622 9 A CB -0.486 18.606 19.000 0.154 0.000 0.824 9 A HN 1.183 nan 8.150 nan 0.000 0.444 10 D N -2.239 118.211 120.400 0.084 0.000 2.688 10 D HA 0.191 4.831 4.640 -0.000 0.000 0.210 10 D C -0.327 176.025 176.300 0.087 0.000 1.333 10 D CA -0.520 53.526 54.000 0.076 0.000 0.920 10 D CB 0.551 41.398 40.800 0.079 0.000 1.554 10 D HN -0.014 nan 8.370 nan 0.000 0.579 11 I N 2.706 123.327 120.570 0.084 0.000 3.444 11 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 11 I C 1.833 177.984 176.117 0.056 0.000 1.302 11 I CA 0.816 62.150 61.300 0.056 0.000 1.368 11 I CB 0.289 38.333 38.000 0.073 0.000 1.048 11 I HN 0.552 nan 8.210 nan 0.000 0.487 12 G N 0.047 108.891 108.800 0.073 0.000 2.744 12 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.211 12 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.211 12 G C 1.233 176.202 174.900 0.116 0.000 1.143 12 G CA 0.089 45.236 45.100 0.078 0.000 0.788 12 G HN 0.281 nan 8.290 nan 0.000 0.534 13 L N 0.811 122.117 121.223 0.138 0.000 2.509 13 L HA 0.347 4.687 4.340 -0.000 0.000 0.222 13 L C 2.892 179.867 176.870 0.175 0.000 1.123 13 L CA 0.469 55.443 54.840 0.224 0.000 0.856 13 L CB -0.649 41.553 42.059 0.237 0.000 0.985 13 L HN 0.240 nan 8.230 nan 0.000 0.456 14 A N 0.251 123.120 122.820 0.081 0.000 1.903 14 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 14 A C 2.563 180.172 177.584 0.041 0.000 1.191 14 A CA 2.222 54.270 52.037 0.018 0.000 0.638 14 A CB -0.828 18.163 19.000 -0.015 0.000 0.823 14 A HN 0.394 nan 8.150 nan 0.000 0.451 15 A N -1.582 121.293 122.820 0.091 0.000 1.873 15 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 15 A C 2.022 179.715 177.584 0.183 0.000 1.193 15 A CA 1.982 54.084 52.037 0.108 0.000 0.629 15 A CB -1.077 17.989 19.000 0.111 0.000 0.826 15 A HN 0.986 nan 8.150 nan 0.000 0.447 16 W N 0.916 122.239 121.300 0.039 0.000 2.358 16 W HA -0.021 4.639 4.660 -0.000 0.000 0.303 16 W C 2.166 178.717 176.519 0.052 0.000 1.208 16 W CA 1.451 58.837 57.345 0.070 0.000 1.274 16 W CB -0.919 28.610 29.460 0.115 0.000 1.138 16 W HN 0.235 nan 8.180 nan 0.000 0.515 17 G N 0.455 109.178 108.800 -0.130 0.000 2.450 17 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.220 17 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.220 17 G C 1.582 176.285 174.900 -0.329 0.000 1.130 17 G CA 1.226 46.026 45.100 -0.501 0.000 0.760 17 G HN 0.227 nan 8.290 nan 0.000 0.557 18 R N 1.065 121.484 120.500 -0.135 0.000 2.092 18 R HA 0.063 4.403 4.340 -0.000 0.000 0.231 18 R C 2.416 178.683 176.300 -0.055 0.000 1.119 18 R CA 1.356 57.402 56.100 -0.090 0.000 0.970 18 R CB -0.420 29.858 30.300 -0.038 0.000 0.864 18 R HN 0.332 nan 8.270 nan 0.000 0.440 19 K N -0.241 120.163 120.400 0.008 0.000 2.057 19 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 19 K C 2.042 178.650 176.600 0.013 0.000 1.049 19 K CA 1.361 57.680 56.287 0.053 0.000 0.931 19 K CB -0.224 32.373 32.500 0.161 0.000 0.714 19 K HN 0.231 nan 8.250 nan 0.000 0.440 20 A N 1.428 124.208 122.820 -0.067 0.000 1.902 20 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 20 A C 2.113 179.628 177.584 -0.115 0.000 1.181 20 A CA 1.228 53.197 52.037 -0.113 0.000 0.623 20 A CB -0.466 18.330 19.000 -0.341 0.000 0.818 20 A HN 0.109 nan 8.150 nan 0.000 0.443 21 L N -0.045 121.085 121.223 -0.154 0.000 2.141 21 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 21 L C 1.870 178.705 176.870 -0.059 0.000 1.094 21 L CA 1.821 56.590 54.840 -0.118 0.000 0.763 21 L CB -0.499 41.477 42.059 -0.138 0.000 0.908 21 L HN 0.308 nan 8.230 nan 0.000 0.437 22 D N -0.542 119.834 120.400 -0.040 0.000 2.097 22 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 22 D C 2.324 178.626 176.300 0.004 0.000 0.989 22 D CA 1.409 55.401 54.000 -0.013 0.000 0.827 22 D CB -0.095 40.706 40.800 0.001 0.000 0.966 22 D HN 0.261 nan 8.370 nan 0.000 0.456 23 I N 1.084 121.662 120.570 0.013 0.000 2.252 23 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 23 I C 2.434 178.571 176.117 0.033 0.000 1.102 23 I CA 0.946 62.264 61.300 0.030 0.000 1.385 23 I CB -0.180 37.848 38.000 0.046 0.000 1.064 23 I HN -0.090 nan 8.210 nan 0.000 0.414 24 A N 0.411 123.243 122.820 0.019 0.000 1.883 24 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 24 A C 2.231 179.839 177.584 0.039 0.000 1.186 24 A CA 1.979 54.034 52.037 0.030 0.000 0.624 24 A CB -0.711 18.291 19.000 0.003 0.000 0.822 24 A HN 0.451 nan 8.150 nan 0.000 0.444 25 E N -0.520 119.691 120.200 0.017 0.000 2.097 25 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 25 E C 1.804 178.423 176.600 0.032 0.000 1.000 25 E CA 1.265 57.675 56.400 0.017 0.000 0.804 25 E CB -0.291 29.408 29.700 -0.002 0.000 0.740 25 E HN 0.752 nan 8.360 nan 0.000 0.454 26 N N 0.056 118.778 118.700 0.036 0.000 2.573 26 N HA -0.129 4.610 4.740 -0.000 0.000 0.187 26 N C 1.095 176.654 175.510 0.081 0.000 1.107 26 N CA 0.271 53.349 53.050 0.045 0.000 0.918 26 N CB 0.300 38.809 38.487 0.037 0.000 0.966 26 N HN 0.077 nan 8.380 nan 0.000 0.448 27 E N -0.262 120.002 120.200 0.107 0.000 2.489 27 E HA 0.126 4.476 4.350 -0.000 0.000 0.204 27 E C -0.247 176.493 176.600 0.233 0.000 1.006 27 E CA 0.223 56.739 56.400 0.194 0.000 0.936 27 E CB 0.606 30.412 29.700 0.176 0.000 1.002 27 E HN 0.423 nan 8.360 nan 0.000 0.488 28 M N 1.022 120.692 119.600 0.116 0.000 2.182 28 M HA 0.282 4.762 4.480 -0.000 0.000 0.285 28 M C -2.191 174.096 176.300 -0.021 0.000 0.956 28 M CA -1.714 53.621 55.300 0.058 0.000 0.878 28 M CB 1.401 34.043 32.600 0.069 0.000 1.373 28 M HN -0.287 nan 8.290 nan 0.000 0.393 29 P HA -0.077 nan 4.420 nan 0.000 0.218 29 P C 1.604 178.719 177.300 -0.309 0.000 1.149 29 P CA 1.332 64.310 63.100 -0.202 0.000 0.817 29 P CB 0.160 31.725 31.700 -0.226 0.000 0.785 30 G N 0.060 108.551 108.800 -0.515 0.000 2.421 30 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 30 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 30 G C 1.541 176.407 174.900 -0.057 0.000 1.171 30 G CA 0.510 45.436 45.100 -0.291 0.000 0.775 30 G HN 0.213 nan 8.290 nan 0.000 0.543 31 L N -0.089 121.134 121.223 -0.001 0.000 2.017 31 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 31 L C 3.094 179.970 176.870 0.011 0.000 1.073 31 L CA 0.856 55.717 54.840 0.035 0.000 0.745 31 L CB -0.336 41.758 42.059 0.058 0.000 0.894 31 L HN 0.159 nan 8.230 nan 0.000 0.432 32 M N -0.584 119.007 119.600 -0.015 0.000 2.149 32 M HA -0.222 4.257 4.480 -0.000 0.000 0.261 32 M C 2.301 178.586 176.300 -0.024 0.000 1.064 32 M CA 1.609 56.898 55.300 -0.019 0.000 1.102 32 M CB -1.345 31.240 32.600 -0.025 0.000 1.369 32 M HN 0.164 nan 8.290 nan 0.000 0.408 33 R N -0.063 120.412 120.500 -0.042 0.000 2.115 33 R HA -0.033 4.307 4.340 -0.000 0.000 0.226 33 R C 2.001 178.293 176.300 -0.013 0.000 1.100 33 R CA 1.100 57.173 56.100 -0.045 0.000 0.980 33 R CB -0.066 30.193 30.300 -0.068 0.000 0.875 33 R HN 0.123 nan 8.270 nan 0.000 0.445 34 M N 0.152 119.782 119.600 0.051 0.000 2.175 34 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 34 M C 2.116 178.514 176.300 0.162 0.000 1.063 34 M CA 1.591 57.000 55.300 0.181 0.000 1.119 34 M CB -0.755 31.950 32.600 0.176 0.000 1.377 34 M HN 0.171 nan 8.290 nan 0.000 0.415 35 R N -0.048 120.494 120.500 0.070 0.000 2.066 35 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 35 R C 2.156 178.458 176.300 0.003 0.000 1.131 35 R CA 1.362 57.489 56.100 0.044 0.000 0.955 35 R CB -0.148 30.160 30.300 0.014 0.000 0.851 35 R HN 0.467 nan 8.270 nan 0.000 0.432 36 E N 0.088 120.268 120.200 -0.032 0.000 2.070 36 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 36 E C 1.989 178.515 176.600 -0.123 0.000 1.004 36 E CA 1.944 58.305 56.400 -0.064 0.000 0.805 36 E CB -0.045 29.614 29.700 -0.068 0.000 0.744 36 E HN 0.338 nan 8.360 nan 0.000 0.451 37 M N -1.004 118.458 119.600 -0.230 0.000 2.236 37 M HA -0.081 4.399 4.480 -0.000 0.000 0.266 37 M C 1.101 177.072 176.300 -0.549 0.000 1.070 37 M CA 1.206 56.221 55.300 -0.475 0.000 1.137 37 M CB 0.116 32.242 32.600 -0.789 0.000 1.378 37 M HN 0.093 nan 8.290 nan 0.000 0.426 38 Y N -1.012 119.292 120.300 0.008 0.000 2.467 38 Y HA 0.305 4.855 4.550 -0.000 0.000 0.250 38 Y C 2.306 178.211 175.900 0.008 0.000 1.155 38 Y CA -0.230 57.877 58.100 0.012 0.000 1.249 38 Y CB -0.358 38.112 38.460 0.016 0.000 1.146 38 Y HN 0.085 nan 8.280 nan 0.000 0.524 39 S N 0.479 116.234 115.700 0.091 0.000 2.370 39 S HA -0.235 4.235 4.470 -0.000 0.000 0.226 39 S C 2.346 176.977 174.600 0.052 0.000 1.033 39 S CA 1.472 59.708 58.200 0.060 0.000 1.011 39 S CB -0.315 62.900 63.200 0.024 0.000 0.852 39 S HN 0.578 nan 8.310 nan 0.000 0.457 40 A N 1.291 124.134 122.820 0.039 0.000 1.854 40 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 40 A C 2.291 179.909 177.584 0.055 0.000 1.192 40 A CA 1.768 53.826 52.037 0.034 0.000 0.611 40 A CB -0.940 18.069 19.000 0.015 0.000 0.832 40 A HN 0.512 nan 8.150 nan 0.000 0.442 41 S N 0.179 115.928 115.700 0.083 0.000 2.399 41 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 41 S C 0.534 175.195 174.600 0.102 0.000 1.022 41 S CA 1.029 59.292 58.200 0.104 0.000 0.983 41 S CB -0.279 63.021 63.200 0.166 0.000 0.803 41 S HN 0.528 nan 8.310 nan 0.000 0.480 42 K N 0.155 120.621 120.400 0.110 0.000 3.257 42 K HA -0.120 4.200 4.320 -0.000 0.000 0.270 42 K C -2.238 174.414 176.600 0.086 0.000 0.984 42 K CA 0.811 57.148 56.287 0.083 0.000 0.739 42 K CB -1.827 30.710 32.500 0.061 0.000 1.351 42 K HN 0.399 nan 8.250 nan 0.000 0.463 43 P HA -0.157 nan 4.420 nan 0.000 0.221 43 P C 1.060 178.443 177.300 0.137 0.000 1.145 43 P CA 1.019 64.156 63.100 0.062 0.000 0.795 43 P CB 0.150 31.816 31.700 -0.057 0.000 0.775 44 L N -0.904 120.359 121.223 0.066 0.000 2.653 44 L HA 0.141 4.481 4.340 -0.000 0.000 0.231 44 L C 1.118 177.949 176.870 -0.066 0.000 1.153 44 L CA -0.512 54.308 54.840 -0.032 0.000 0.933 44 L CB -0.505 41.465 42.059 -0.148 0.000 1.175 44 L HN -0.048 nan 8.230 nan 0.000 0.473 45 K N 0.832 121.287 120.400 0.091 0.000 2.451 45 K HA 0.259 4.579 4.320 -0.000 0.000 0.280 45 K C 1.052 177.764 176.600 0.186 0.000 1.020 45 K CA 1.013 57.352 56.287 0.085 0.000 1.008 45 K CB 0.604 33.162 32.500 0.096 0.000 0.917 45 K HN 0.146 nan 8.250 nan 0.000 0.478 46 G N 1.392 110.232 108.800 0.066 0.000 2.175 46 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 46 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 46 G C 0.150 174.980 174.900 -0.118 0.000 0.982 46 G CA -0.032 45.153 45.100 0.142 0.000 0.641 46 G HN 1.050 nan 8.290 nan 0.000 0.527 47 A N 0.253 122.706 122.820 -0.611 0.000 2.310 47 A HA 0.810 5.130 4.320 -0.000 0.000 0.299 47 A C 0.551 177.705 177.584 -0.716 0.000 1.147 47 A CA -0.319 50.975 52.037 -1.239 0.000 0.818 47 A CB 0.516 18.563 19.000 -1.588 0.000 1.096 47 A HN 0.405 nan 8.150 nan 0.000 0.495 48 R N 2.587 122.610 120.500 -0.794 0.000 2.402 48 R HA 0.323 4.663 4.340 -0.000 0.000 0.290 48 R C -1.368 174.429 176.300 -0.839 0.000 1.321 48 R CA -0.158 55.320 56.100 -1.036 0.000 1.283 48 R CB 0.855 30.250 30.300 -1.508 0.000 1.111 48 R HN 0.691 nan 8.270 nan 0.000 0.578 49 I N 2.231 122.580 120.570 -0.368 0.000 2.337 49 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 49 I C 0.571 176.751 176.117 0.105 0.000 1.046 49 I CA -0.173 61.041 61.300 -0.143 0.000 1.324 49 I CB 1.370 39.325 38.000 -0.076 0.000 1.409 49 I HN 0.451 nan 8.210 nan 0.000 0.494 50 A N 5.594 128.413 122.820 -0.001 0.000 2.269 50 A HA 0.709 5.029 4.320 -0.000 0.000 0.302 50 A C 0.323 177.682 177.584 -0.376 0.000 1.266 50 A CA -0.352 51.652 52.037 -0.054 0.000 0.894 50 A CB 0.369 19.328 19.000 -0.068 0.000 1.147 50 A HN 0.815 nan 8.150 nan 0.000 0.537 51 G N -0.039 108.311 108.800 -0.751 0.000 2.415 51 G HA2 0.481 4.441 3.960 -0.000 0.000 0.327 51 G HA3 0.481 4.441 3.960 -0.000 0.000 0.327 51 G C -0.868 173.145 174.900 -1.479 0.000 1.182 51 G CA -0.345 43.797 45.100 -1.598 0.000 0.924 51 G HN 1.012 nan 8.290 nan 0.000 0.470 52 C N 4.231 122.950 119.300 -0.969 0.000 2.653 52 C HA 0.797 5.257 4.460 -0.000 0.000 0.291 52 C C -0.619 174.162 174.990 -0.350 0.000 1.064 52 C CA -0.620 58.045 59.018 -0.589 0.000 1.469 52 C CB -1.664 25.855 27.740 -0.369 0.000 1.861 52 C HN 0.715 nan 8.230 nan 0.000 0.434 53 L N 5.955 127.079 121.223 -0.165 0.000 2.545 53 L HA 0.513 4.853 4.340 -0.000 0.000 0.258 53 L C -0.407 176.612 176.870 0.248 0.000 0.942 53 L CA -0.421 54.481 54.840 0.103 0.000 0.855 53 L CB 1.669 43.944 42.059 0.359 0.000 1.374 53 L HN 0.640 nan 8.230 nan 0.000 0.411 54 H N 3.691 122.898 119.070 0.228 0.000 3.193 54 H HA -0.113 4.443 4.556 -0.000 0.000 0.306 54 H C -0.038 175.421 175.328 0.218 0.000 0.960 54 H CA 0.335 56.504 56.048 0.202 0.000 1.375 54 H CB 0.458 30.310 29.762 0.150 0.000 1.321 54 H HN 0.409 nan 8.280 nan 0.000 0.578 55 M N 4.519 124.290 119.600 0.284 0.000 2.664 55 M HA 0.084 4.564 4.480 -0.000 0.000 0.332 55 M C -0.213 176.158 176.300 0.119 0.000 1.354 55 M CA -0.213 55.191 55.300 0.173 0.000 1.399 55 M CB -0.409 32.297 32.600 0.177 0.000 1.224 55 M HN 0.668 nan 8.290 nan 0.000 0.479 56 T N -0.410 114.199 114.554 0.092 0.000 2.905 56 T HA 0.508 4.858 4.350 -0.000 0.000 0.283 56 T C 0.987 175.680 174.700 -0.012 0.000 1.031 56 T CA -0.937 61.207 62.100 0.074 0.000 1.002 56 T CB 0.845 69.781 68.868 0.114 0.000 1.200 56 T HN 0.149 nan 8.240 nan 0.000 0.560 57 V N 1.123 121.017 119.914 -0.034 0.000 2.392 57 V HA -0.137 3.983 4.120 -0.000 0.000 0.249 57 V C 2.645 178.713 176.094 -0.044 0.000 1.059 57 V CA 2.192 64.425 62.300 -0.112 0.000 1.051 57 V CB -1.152 30.594 31.823 -0.128 0.000 0.658 57 V HN 0.868 nan 8.190 nan 0.000 0.455 58 E N -0.133 120.106 120.200 0.066 0.000 2.072 58 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 58 E C 2.272 178.978 176.600 0.177 0.000 0.985 58 E CA 1.575 58.094 56.400 0.198 0.000 0.801 58 E CB -0.658 29.226 29.700 0.307 0.000 0.750 58 E HN 0.494 nan 8.360 nan 0.000 0.452 59 T N 0.346 114.934 114.554 0.056 0.000 2.962 59 T HA -0.063 4.287 4.350 -0.000 0.000 0.270 59 T C 1.792 176.201 174.700 -0.485 0.000 1.088 59 T CA 0.985 62.883 62.100 -0.336 0.000 1.127 59 T CB -0.192 68.553 68.868 -0.205 0.000 0.883 59 T HN 0.274 nan 8.240 nan 0.000 0.493 60 A N 0.811 123.450 122.820 -0.303 0.000 1.897 60 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 60 A C 2.491 179.908 177.584 -0.278 0.000 1.181 60 A CA 0.985 52.831 52.037 -0.318 0.000 0.620 60 A CB -0.766 18.092 19.000 -0.237 0.000 0.821 60 A HN 0.362 nan 8.150 nan 0.000 0.443 61 V N -0.039 119.765 119.914 -0.185 0.000 2.515 61 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 61 V C 2.475 178.467 176.094 -0.170 0.000 1.058 61 V CA 1.798 64.022 62.300 -0.126 0.000 1.064 61 V CB -0.699 31.105 31.823 -0.031 0.000 0.675 61 V HN 0.622 nan 8.190 nan 0.000 0.461 62 L N 0.193 121.247 121.223 -0.281 0.000 2.027 62 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 62 L C 2.181 178.815 176.870 -0.392 0.000 1.074 62 L CA 1.870 56.485 54.840 -0.375 0.000 0.745 62 L CB -0.544 41.042 42.059 -0.788 0.000 0.898 62 L HN 0.202 nan 8.230 nan 0.000 0.433 63 I N -0.024 120.202 120.570 -0.574 0.000 2.118 63 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 63 I C 2.416 178.370 176.117 -0.273 0.000 1.070 63 I CA 1.818 62.793 61.300 -0.542 0.000 1.327 63 I CB -0.509 37.083 38.000 -0.680 0.000 1.034 63 I HN 0.379 nan 8.210 nan 0.000 0.405 64 E N -0.054 120.008 120.200 -0.230 0.000 2.268 64 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 64 E C 2.082 178.622 176.600 -0.099 0.000 0.995 64 E CA 1.493 57.809 56.400 -0.141 0.000 0.836 64 E CB -0.153 29.471 29.700 -0.126 0.000 0.763 64 E HN 0.539 nan 8.360 nan 0.000 0.491 65 T N 1.545 116.035 114.554 -0.106 0.000 2.851 65 T HA -0.028 4.322 4.350 -0.000 0.000 0.262 65 T C 2.019 176.691 174.700 -0.047 0.000 1.043 65 T CA 0.501 62.567 62.100 -0.057 0.000 1.140 65 T CB -0.084 68.758 68.868 -0.043 0.000 0.872 65 T HN 0.091 nan 8.240 nan 0.000 0.446 66 L N 0.908 122.086 121.223 -0.075 0.000 2.079 66 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 66 L C 2.607 179.448 176.870 -0.048 0.000 1.081 66 L CA 0.910 55.715 54.840 -0.058 0.000 0.752 66 L CB -0.741 41.287 42.059 -0.051 0.000 0.896 66 L HN 0.156 nan 8.230 nan 0.000 0.433 67 V N 0.063 119.948 119.914 -0.050 0.000 2.358 67 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 67 V C 2.705 178.787 176.094 -0.020 0.000 1.047 67 V CA 1.649 63.929 62.300 -0.033 0.000 1.035 67 V CB -0.730 31.070 31.823 -0.038 0.000 0.658 67 V HN 0.468 nan 8.190 nan 0.000 0.452 68 A N -0.551 122.257 122.820 -0.019 0.000 2.125 68 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 68 A C 1.813 179.409 177.584 0.019 0.000 1.156 68 A CA 1.342 53.379 52.037 -0.001 0.000 0.671 68 A CB -0.376 18.624 19.000 -0.001 0.000 0.794 68 A HN 0.450 nan 8.150 nan 0.000 0.459 69 L N -1.120 120.112 121.223 0.015 0.000 2.629 69 L HA 0.312 4.652 4.340 -0.000 0.000 0.230 69 L C 1.594 178.471 176.870 0.012 0.000 1.151 69 L CA 0.980 55.839 54.840 0.033 0.000 0.924 69 L CB -0.234 41.837 42.059 0.020 0.000 1.137 69 L HN 0.557 nan 8.230 nan 0.000 0.457 70 G N -1.388 107.412 108.800 0.001 0.000 2.157 70 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.248 70 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.248 70 G C 0.560 175.433 174.900 -0.045 0.000 0.979 70 G CA 0.128 45.225 45.100 -0.005 0.000 0.650 70 G HN 0.643 nan 8.290 nan 0.000 0.529 71 A N -0.417 122.359 122.820 -0.074 0.000 2.272 71 A HA 0.739 5.059 4.320 -0.000 0.000 0.275 71 A C 0.272 177.818 177.584 -0.063 0.000 1.096 71 A CA 0.049 52.007 52.037 -0.132 0.000 0.822 71 A CB 0.614 19.523 19.000 -0.150 0.000 1.088 71 A HN 0.395 nan 8.150 nan 0.000 0.495 72 E N -0.341 119.818 120.200 -0.067 0.000 2.191 72 E HA 0.473 4.823 4.350 -0.000 0.000 0.263 72 E C -1.240 175.517 176.600 0.261 0.000 0.881 72 E CA -0.489 55.964 56.400 0.088 0.000 0.757 72 E CB 1.858 31.614 29.700 0.093 0.000 1.147 72 E HN 0.649 nan 8.360 nan 0.000 0.414 73 V N 1.519 121.619 119.914 0.309 0.000 3.001 73 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 73 V C -1.194 175.044 176.094 0.240 0.000 1.099 73 V CA -0.821 61.706 62.300 0.379 0.000 0.989 73 V CB 2.108 34.130 31.823 0.331 0.000 1.040 73 V HN 0.627 nan 8.190 nan 0.000 0.434 74 R N 3.912 124.519 120.500 0.178 0.000 2.502 74 R HA 0.401 4.741 4.340 -0.000 0.000 0.298 74 R C -1.328 175.070 176.300 0.164 0.000 1.018 74 R CA -0.399 55.721 56.100 0.034 0.000 0.899 74 R CB 1.956 32.032 30.300 -0.374 0.000 1.181 74 R HN 0.884 nan 8.270 nan 0.000 0.444 75 W N 1.743 123.064 121.300 0.036 0.000 2.481 75 W HA 0.502 5.162 4.660 -0.000 0.000 0.369 75 W C -0.120 176.432 176.519 0.054 0.000 1.235 75 W CA -0.121 57.232 57.345 0.013 0.000 1.344 75 W CB 2.257 31.707 29.460 -0.016 0.000 1.360 75 W HN 0.606 nan 8.180 nan 0.000 0.658 76 S N 0.640 116.345 115.700 0.007 0.000 2.565 76 S HA 0.268 4.738 4.470 -0.000 0.000 0.274 76 S C -1.084 173.507 174.600 -0.015 0.000 1.144 76 S CA -0.788 57.410 58.200 -0.003 0.000 0.849 76 S CB 1.502 64.575 63.200 -0.211 0.000 1.103 76 S HN 0.341 nan 8.310 nan 0.000 0.455 77 S N -0.312 115.405 115.700 0.028 0.000 2.632 77 S HA 0.456 4.926 4.470 -0.000 0.000 0.267 77 S C 1.160 175.749 174.600 -0.017 0.000 1.276 77 S CA -0.176 58.060 58.200 0.061 0.000 0.998 77 S CB 0.227 63.494 63.200 0.112 0.000 0.953 77 S HN 1.462 nan 8.310 nan 0.000 0.547 78 C N 2.018 121.294 119.300 -0.039 0.000 2.974 78 C HA 0.548 5.008 4.460 -0.000 0.000 0.282 78 C C 0.402 175.504 174.990 0.186 0.000 1.292 78 C CA -0.985 58.081 59.018 0.080 0.000 1.710 78 C CB -1.893 25.773 27.740 -0.123 0.000 2.036 78 C HN 0.692 nan 8.230 nan 0.000 0.629 79 N N 1.114 119.914 118.700 0.166 0.000 2.287 79 N HA 0.372 5.112 4.740 -0.000 0.000 0.289 79 N C 0.498 176.040 175.510 0.053 0.000 1.066 79 N CA -0.334 52.759 53.050 0.072 0.000 0.841 79 N CB 1.828 40.445 38.487 0.217 0.000 1.599 79 N HN 0.420 nan 8.380 nan 0.000 0.476 80 I N -0.790 119.665 120.570 -0.191 0.000 3.111 80 I HA 0.087 4.257 4.170 -0.000 0.000 0.272 80 I C -0.051 176.010 176.117 -0.092 0.000 1.268 80 I CA 0.869 62.027 61.300 -0.236 0.000 1.467 80 I CB -0.128 37.590 38.000 -0.470 0.000 1.087 80 I HN 0.230 nan 8.210 nan 0.000 0.467 81 F N 1.280 121.266 119.950 0.061 0.000 2.740 81 F HA 0.185 4.712 4.527 -0.000 0.000 0.304 81 F C 2.709 178.576 175.800 0.112 0.000 1.098 81 F CA 0.107 58.156 58.000 0.082 0.000 1.258 81 F CB -0.573 38.475 39.000 0.081 0.000 1.061 81 F HN 0.148 nan 8.300 nan 0.000 0.598 82 S N -0.897 114.997 115.700 0.324 0.000 2.474 82 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 82 S C 1.003 175.748 174.600 0.242 0.000 0.997 82 S CA 0.460 58.836 58.200 0.292 0.000 0.949 82 S CB -1.167 62.315 63.200 0.469 0.000 0.766 82 S HN 0.145 nan 8.310 nan 0.000 0.517 83 T N 2.524 117.210 114.554 0.220 0.000 2.940 83 T HA 0.163 4.513 4.350 -0.000 0.000 0.309 83 T C -0.252 174.554 174.700 0.176 0.000 1.056 83 T CA 0.209 62.424 62.100 0.192 0.000 1.137 83 T CB 0.663 69.635 68.868 0.175 0.000 0.976 83 T HN 0.401 nan 8.240 nan 0.000 0.547 84 Q N 1.617 121.515 119.800 0.163 0.000 2.425 84 Q HA 0.175 4.515 4.340 -0.000 0.000 0.254 84 Q C 0.360 176.478 176.000 0.197 0.000 1.032 84 Q CA -0.485 55.416 55.803 0.164 0.000 0.798 84 Q CB 0.891 29.747 28.738 0.197 0.000 1.210 84 Q HN 0.531 nan 8.270 nan 0.000 0.491 85 D N 1.049 121.550 120.400 0.169 0.000 2.158 85 D HA -0.222 4.418 4.640 -0.000 0.000 0.197 85 D C 1.578 177.982 176.300 0.172 0.000 0.995 85 D CA 1.446 55.552 54.000 0.176 0.000 0.846 85 D CB 0.221 41.127 40.800 0.176 0.000 0.941 85 D HN 0.686 nan 8.370 nan 0.000 0.456 86 H N 0.191 119.187 119.070 -0.124 0.000 2.457 86 H HA 0.198 4.754 4.556 -0.000 0.000 0.294 86 H C 1.826 177.024 175.328 -0.218 0.000 1.064 86 H CA 1.199 57.116 56.048 -0.219 0.000 1.330 86 H CB -0.825 28.552 29.762 -0.642 0.000 1.395 86 H HN 0.072 nan 8.280 nan 0.000 0.541 87 A N 1.555 124.252 122.820 -0.206 0.000 1.897 87 A HA 0.177 4.497 4.320 -0.000 0.000 0.215 87 A C 2.740 180.232 177.584 -0.154 0.000 1.181 87 A CA 1.685 53.533 52.037 -0.314 0.000 0.620 87 A CB -1.014 17.840 19.000 -0.243 0.000 0.821 87 A HN 0.594 nan 8.150 nan 0.000 0.443 88 A N 0.032 122.826 122.820 -0.043 0.000 1.902 88 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 88 A C 2.496 180.031 177.584 -0.082 0.000 1.181 88 A CA 2.003 54.024 52.037 -0.027 0.000 0.623 88 A CB -1.011 18.036 19.000 0.079 0.000 0.818 88 A HN 1.004 nan 8.150 nan 0.000 0.443 89 A N 0.018 122.806 122.820 -0.054 0.000 1.883 89 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 89 A C 2.532 180.031 177.584 -0.143 0.000 1.186 89 A CA 2.299 54.284 52.037 -0.087 0.000 0.624 89 A CB -1.126 17.870 19.000 -0.006 0.000 0.822 89 A HN 1.105 nan 8.150 nan 0.000 0.444 90 A N -0.207 122.532 122.820 -0.136 0.000 1.908 90 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 90 A C 2.039 179.523 177.584 -0.167 0.000 1.181 90 A CA 1.753 53.703 52.037 -0.145 0.000 0.627 90 A CB -0.499 18.399 19.000 -0.170 0.000 0.818 90 A HN 0.410 nan 8.150 nan 0.000 0.445 91 I N -0.154 120.305 120.570 -0.184 0.000 2.202 91 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 91 I C 2.964 178.945 176.117 -0.225 0.000 1.091 91 I CA 1.357 62.542 61.300 -0.191 0.000 1.368 91 I CB -1.605 36.279 38.000 -0.194 0.000 1.058 91 I HN 0.369 nan 8.210 nan 0.000 0.410 92 A N 0.856 123.487 122.820 -0.315 0.000 1.858 92 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 92 A C 2.386 179.663 177.584 -0.512 0.000 1.190 92 A CA 2.187 53.877 52.037 -0.578 0.000 0.617 92 A CB -0.670 17.763 19.000 -0.946 0.000 0.827 92 A HN 0.411 nan 8.150 nan 0.000 0.443 93 K N -0.062 120.122 120.400 -0.361 0.000 2.360 93 K HA 0.056 4.376 4.320 -0.000 0.000 0.201 93 K C 1.534 178.050 176.600 -0.140 0.000 1.046 93 K CA 1.169 57.328 56.287 -0.213 0.000 0.945 93 K CB -0.287 32.132 32.500 -0.135 0.000 0.750 93 K HN 0.340 nan 8.250 nan 0.000 0.464 94 A N -0.048 122.684 122.820 -0.147 0.000 2.238 94 A HA 0.252 4.572 4.320 -0.000 0.000 0.208 94 A C 1.435 178.971 177.584 -0.079 0.000 1.177 94 A CA 0.604 52.581 52.037 -0.100 0.000 0.804 94 A CB -0.471 18.466 19.000 -0.106 0.000 0.823 94 A HN 0.562 nan 8.150 nan 0.000 0.482 95 G N -1.205 107.540 108.800 -0.091 0.000 2.175 95 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 95 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 95 G C 0.065 174.944 174.900 -0.036 0.000 0.982 95 G CA 0.146 45.221 45.100 -0.043 0.000 0.641 95 G HN 0.430 nan 8.290 nan 0.000 0.527 96 I N 3.145 123.671 120.570 -0.073 0.000 2.371 96 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 96 I C -1.730 174.356 176.117 -0.052 0.000 1.028 96 I CA -2.366 58.907 61.300 -0.045 0.000 1.345 96 I CB 1.367 39.328 38.000 -0.066 0.000 1.407 96 I HN -0.122 nan 8.210 nan 0.000 0.501 97 P HA 0.036 nan 4.420 nan 0.000 0.271 97 P C -0.536 176.758 177.300 -0.010 0.000 1.380 97 P CA 0.131 63.226 63.100 -0.008 0.000 0.992 97 P CB 0.752 32.543 31.700 0.152 0.000 1.230 98 V N 5.481 125.289 119.914 -0.177 0.000 2.459 98 V HA 0.527 4.647 4.120 -0.000 0.000 0.295 98 V C -1.179 174.809 176.094 -0.177 0.000 1.029 98 V CA -0.845 61.452 62.300 -0.005 0.000 0.874 98 V CB 0.666 32.492 31.823 0.006 0.000 0.985 98 V HN 0.208 nan 8.190 nan 0.000 0.438 99 F N 6.476 126.539 119.950 0.188 0.000 2.451 99 F HA 0.855 5.382 4.527 -0.000 0.000 0.367 99 F C 0.325 176.270 175.800 0.242 0.000 1.100 99 F CA 0.076 58.233 58.000 0.262 0.000 1.171 99 F CB 1.390 40.464 39.000 0.123 0.000 1.405 99 F HN 0.804 nan 8.300 nan 0.000 0.482 100 A N 2.487 125.557 122.820 0.417 0.000 2.599 100 A HA 0.801 5.121 4.320 -0.000 0.000 0.294 100 A C -2.179 175.649 177.584 0.407 0.000 1.055 100 A CA -0.773 51.420 52.037 0.260 0.000 0.683 100 A CB 1.158 20.264 19.000 0.177 0.000 1.278 100 A HN 0.738 nan 8.150 nan 0.000 0.412 101 W N 0.950 122.368 121.300 0.197 0.000 3.153 101 W HA 0.677 5.337 4.660 -0.000 0.000 0.316 101 W C -1.031 175.604 176.519 0.194 0.000 1.255 101 W CA -0.727 56.722 57.345 0.174 0.000 1.192 101 W CB 0.751 30.305 29.460 0.157 0.000 1.400 101 W HN 0.847 nan 8.180 nan 0.000 0.568 102 K N 1.788 122.398 120.400 0.349 0.000 2.350 102 K HA 0.458 4.778 4.320 -0.000 0.000 0.279 102 K C 0.968 177.800 176.600 0.386 0.000 1.027 102 K CA 0.846 57.306 56.287 0.288 0.000 0.969 102 K CB 0.422 33.081 32.500 0.264 0.000 0.954 102 K HN 1.609 nan 8.250 nan 0.000 0.474 103 G N 2.631 111.669 108.800 0.396 0.000 2.212 103 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.255 103 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.255 103 G C -0.436 174.683 174.900 0.365 0.000 1.062 103 G CA 0.331 45.719 45.100 0.480 0.000 0.815 103 G HN 0.726 nan 8.290 nan 0.000 0.497 104 E N 0.005 120.218 120.200 0.022 0.000 2.376 104 E HA 0.551 4.901 4.350 -0.000 0.000 0.254 104 E C 0.960 177.605 176.600 0.075 0.000 1.213 104 E CA 0.113 56.490 56.400 -0.037 0.000 0.945 104 E CB 0.489 29.853 29.700 -0.561 0.000 1.057 104 E HN 0.482 nan 8.360 nan 0.000 0.479 105 T N -2.078 112.552 114.554 0.127 0.000 2.925 105 T HA 0.139 4.489 4.350 -0.000 0.000 0.285 105 T C 0.462 175.201 174.700 0.065 0.000 1.021 105 T CA -0.900 61.255 62.100 0.091 0.000 1.042 105 T CB 1.267 70.213 68.868 0.130 0.000 1.037 105 T HN 0.219 nan 8.240 nan 0.000 0.481 106 D N 1.079 121.487 120.400 0.013 0.000 2.239 106 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 106 D C 1.558 177.925 176.300 0.111 0.000 0.993 106 D CA 1.426 55.435 54.000 0.014 0.000 0.874 106 D CB 0.139 40.920 40.800 -0.032 0.000 0.922 106 D HN 0.702 nan 8.370 nan 0.000 0.464 107 E N 0.657 120.923 120.200 0.111 0.000 2.033 107 E HA -0.103 4.247 4.350 -0.000 0.000 0.189 107 E C 2.093 178.810 176.600 0.194 0.000 0.979 107 E CA 0.800 57.280 56.400 0.134 0.000 0.802 107 E CB -0.167 29.595 29.700 0.103 0.000 0.763 107 E HN 0.461 nan 8.360 nan 0.000 0.449 108 E N -0.097 120.227 120.200 0.208 0.000 2.153 108 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 108 E C 1.892 178.630 176.600 0.230 0.000 0.988 108 E CA 0.934 57.505 56.400 0.285 0.000 0.811 108 E CB -0.427 29.509 29.700 0.394 0.000 0.746 108 E HN 0.309 nan 8.360 nan 0.000 0.466 109 Y N 2.216 122.518 120.300 0.003 0.000 2.053 109 Y HA -0.256 4.294 4.550 -0.000 0.000 0.277 109 Y C 2.237 178.139 175.900 0.002 0.000 1.159 109 Y CA 1.607 59.668 58.100 -0.064 0.000 1.125 109 Y CB -0.370 38.030 38.460 -0.100 0.000 0.969 109 Y HN -0.000 nan 8.280 nan 0.000 0.492 110 L N -0.821 120.459 121.223 0.096 0.000 2.131 110 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 110 L C 2.283 179.145 176.870 -0.015 0.000 1.092 110 L CA 2.073 56.917 54.840 0.006 0.000 0.759 110 L CB -0.669 41.457 42.059 0.111 0.000 0.903 110 L HN 0.647 nan 8.230 nan 0.000 0.435 111 W N 0.235 121.499 121.300 -0.060 0.000 2.358 111 W HA -0.248 4.412 4.660 -0.000 0.000 0.303 111 W C 2.633 179.080 176.519 -0.120 0.000 1.208 111 W CA 1.918 59.236 57.345 -0.045 0.000 1.274 111 W CB -0.560 28.926 29.460 0.043 0.000 1.138 111 W HN 0.168 nan 8.180 nan 0.000 0.515 112 C N 0.419 119.701 119.300 -0.030 0.000 2.413 112 C HA -0.216 4.244 4.460 -0.000 0.000 0.276 112 C C 2.701 177.405 174.990 -0.477 0.000 1.248 112 C CA 1.298 60.167 59.018 -0.249 0.000 1.742 112 C CB -1.531 26.187 27.740 -0.036 0.000 2.017 112 C HN 0.374 nan 8.230 nan 0.000 0.481 113 I N 0.791 121.091 120.570 -0.450 0.000 2.179 113 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 113 I C 2.585 178.428 176.117 -0.457 0.000 1.088 113 I CA 1.423 62.455 61.300 -0.447 0.000 1.357 113 I CB -0.668 37.083 38.000 -0.415 0.000 1.051 113 I HN 0.388 nan 8.210 nan 0.000 0.409 114 E N 0.584 120.517 120.200 -0.444 0.000 2.204 114 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 114 E C 2.108 178.389 176.600 -0.532 0.000 0.990 114 E CA 0.858 57.011 56.400 -0.413 0.000 0.821 114 E CB -0.183 29.344 29.700 -0.289 0.000 0.750 114 E HN 0.529 nan 8.360 nan 0.000 0.477 115 Q N -0.274 119.030 119.800 -0.827 0.000 2.224 115 Q HA -0.072 4.268 4.340 -0.000 0.000 0.203 115 Q C 2.109 177.597 176.000 -0.853 0.000 0.970 115 Q CA 1.543 56.683 55.803 -1.105 0.000 0.865 115 Q CB -0.327 27.206 28.738 -2.010 0.000 0.922 115 Q HN 0.418 nan 8.270 nan 0.000 0.445 116 T N -2.890 111.287 114.554 -0.628 0.000 3.100 116 T HA 0.147 4.497 4.350 -0.000 0.000 0.253 116 T C 1.800 176.301 174.700 -0.331 0.000 1.118 116 T CA -0.042 61.786 62.100 -0.452 0.000 1.058 116 T CB -0.118 68.548 68.868 -0.336 0.000 0.953 116 T HN 0.119 nan 8.240 nan 0.000 0.515 117 L N -0.068 120.951 121.223 -0.340 0.000 2.217 117 L HA 0.149 4.489 4.340 -0.000 0.000 0.211 117 L C 0.948 177.589 176.870 -0.381 0.000 1.107 117 L CA 0.766 55.400 54.840 -0.344 0.000 0.783 117 L CB -0.504 41.273 42.059 -0.469 0.000 0.919 117 L HN 0.393 nan 8.230 nan 0.000 0.442 118 H N -0.808 118.225 119.070 -0.062 0.000 2.547 118 H HA 0.389 4.945 4.556 -0.000 0.000 0.342 118 H C -0.868 174.457 175.328 -0.004 0.000 1.048 118 H CA -0.650 55.428 56.048 0.049 0.000 1.204 118 H CB 1.577 31.327 29.762 -0.019 0.000 1.493 118 H HN -0.185 nan 8.280 nan 0.000 0.511 119 F N 1.951 121.933 119.950 0.053 0.000 2.461 119 F HA 0.173 4.700 4.527 -0.000 0.000 0.332 119 F C 1.973 177.801 175.800 0.047 0.000 1.073 119 F CA -1.010 57.008 58.000 0.031 0.000 1.017 119 F CB 0.899 39.895 39.000 -0.005 0.000 1.301 119 F HN 0.351 nan 8.300 nan 0.000 0.492 120 K N 0.254 120.786 120.400 0.220 0.000 2.034 120 K HA -0.197 4.123 4.320 -0.000 0.000 0.214 120 K C 0.224 176.898 176.600 0.124 0.000 1.051 120 K CA 2.116 58.483 56.287 0.134 0.000 0.931 120 K CB -0.852 31.716 32.500 0.113 0.000 0.715 120 K HN 0.633 nan 8.250 nan 0.000 0.446 121 D N 0.126 120.607 120.400 0.135 0.000 2.491 121 D HA 0.378 5.018 4.640 -0.000 0.000 0.228 121 D C 0.637 176.990 176.300 0.088 0.000 1.183 121 D CA 0.034 54.088 54.000 0.090 0.000 0.827 121 D CB 0.588 41.426 40.800 0.064 0.000 0.989 121 D HN 0.455 nan 8.370 nan 0.000 0.494 122 G N 0.270 109.149 108.800 0.133 0.000 2.361 122 G HA2 0.149 4.109 3.960 -0.000 0.000 0.331 122 G HA3 0.149 4.109 3.960 -0.000 0.000 0.331 122 G C -3.249 171.760 174.900 0.182 0.000 1.324 122 G CA -1.112 44.064 45.100 0.127 0.000 0.984 122 G HN -0.027 nan 8.290 nan 0.000 0.586 123 P HA 0.457 nan 4.420 nan 0.000 0.276 123 P C 0.685 177.938 177.300 -0.079 0.000 1.261 123 P CA -0.575 62.563 63.100 0.063 0.000 0.800 123 P CB 0.579 32.275 31.700 -0.008 0.000 1.066 124 L N -0.231 120.929 121.223 -0.105 0.000 2.490 124 L HA 0.210 4.550 4.340 -0.000 0.000 0.274 124 L C 0.631 177.353 176.870 -0.247 0.000 1.201 124 L CA -0.061 54.610 54.840 -0.282 0.000 0.869 124 L CB -0.462 41.545 42.059 -0.085 0.000 1.123 124 L HN 0.321 nan 8.230 nan 0.000 0.484 125 N N 2.678 121.186 118.700 -0.320 0.000 2.200 125 N HA 0.303 5.043 4.740 -0.000 0.000 0.224 125 N C -0.559 174.869 175.510 -0.136 0.000 1.179 125 N CA -0.249 52.707 53.050 -0.156 0.000 0.877 125 N CB 0.683 39.121 38.487 -0.081 0.000 1.072 125 N HN 0.573 nan 8.380 nan 0.000 0.519 126 M N 0.681 120.153 119.600 -0.213 0.000 2.471 126 M HA 0.439 4.919 4.480 -0.000 0.000 0.284 126 M C -1.663 174.541 176.300 -0.160 0.000 1.203 126 M CA -0.421 54.776 55.300 -0.172 0.000 0.915 126 M CB 2.414 34.848 32.600 -0.277 0.000 1.734 126 M HN -0.066 nan 8.290 nan 0.000 0.485 127 I N 2.627 123.122 120.570 -0.124 0.000 2.509 127 I HA 0.521 4.691 4.170 -0.000 0.000 0.293 127 I C -0.996 175.035 176.117 -0.142 0.000 1.020 127 I CA -0.761 60.453 61.300 -0.143 0.000 1.088 127 I CB 2.543 40.476 38.000 -0.112 0.000 1.267 127 I HN 0.554 nan 8.210 nan 0.000 0.430 128 L N 6.000 127.102 121.223 -0.201 0.000 2.417 128 L HA 0.472 4.812 4.340 -0.000 0.000 0.259 128 L C -1.251 175.486 176.870 -0.223 0.000 1.023 128 L CA -0.247 54.495 54.840 -0.164 0.000 0.901 128 L CB 0.637 42.625 42.059 -0.119 0.000 1.227 128 L HN 0.501 nan 8.230 nan 0.000 0.454 129 D N 2.072 122.386 120.400 -0.144 0.000 2.272 129 D HA 0.342 4.982 4.640 -0.000 0.000 0.247 129 D C -1.267 174.992 176.300 -0.069 0.000 0.990 129 D CA -0.012 53.907 54.000 -0.135 0.000 0.931 129 D CB 2.145 42.876 40.800 -0.115 0.000 1.195 129 D HN 0.375 nan 8.370 nan 0.000 0.477 130 D N 0.671 121.032 120.400 -0.065 0.000 2.336 130 D HA 0.429 5.069 4.640 -0.000 0.000 0.248 130 D C 0.566 176.852 176.300 -0.023 0.000 1.326 130 D CA -0.265 53.704 54.000 -0.051 0.000 0.973 130 D CB 0.270 41.061 40.800 -0.015 0.000 1.255 130 D HN 0.572 nan 8.370 nan 0.000 0.558 131 G N 1.952 110.764 108.800 0.020 0.000 2.253 131 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.209 131 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.209 131 G C 1.081 176.063 174.900 0.138 0.000 0.997 131 G CA 0.445 45.677 45.100 0.220 0.000 0.640 131 G HN 1.528 nan 8.290 nan 0.000 0.496 132 G N -0.100 108.732 108.800 0.053 0.000 2.179 132 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 132 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 132 G C 0.786 175.701 174.900 0.025 0.000 0.977 132 G CA 1.194 46.306 45.100 0.020 0.000 0.641 132 G HN 0.630 nan 8.290 nan 0.000 0.533 133 D N -0.011 120.424 120.400 0.059 0.000 2.117 133 D HA -0.015 4.625 4.640 -0.000 0.000 0.197 133 D C 2.528 178.809 176.300 -0.030 0.000 0.987 133 D CA 1.035 55.067 54.000 0.053 0.000 0.829 133 D CB -0.145 40.733 40.800 0.130 0.000 0.961 133 D HN 0.447 nan 8.370 nan 0.000 0.460 134 L N 0.694 121.865 121.223 -0.087 0.000 2.027 134 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 134 L C 2.550 179.362 176.870 -0.098 0.000 1.074 134 L CA 1.786 56.540 54.840 -0.143 0.000 0.745 134 L CB -0.467 41.471 42.059 -0.201 0.000 0.898 134 L HN 0.159 nan 8.230 nan 0.000 0.433 135 T N -2.962 111.545 114.554 -0.078 0.000 2.867 135 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 135 T C 1.438 176.115 174.700 -0.038 0.000 1.057 135 T CA 1.904 63.972 62.100 -0.053 0.000 1.136 135 T CB -0.397 68.397 68.868 -0.123 0.000 0.874 135 T HN 0.378 nan 8.240 nan 0.000 0.466 136 N N 0.031 118.703 118.700 -0.046 0.000 2.300 136 N HA 0.179 4.918 4.740 -0.000 0.000 0.179 136 N C 1.637 177.171 175.510 0.040 0.000 1.016 136 N CA 0.685 53.727 53.050 -0.013 0.000 0.876 136 N CB -0.180 38.301 38.487 -0.010 0.000 0.979 136 N HN 0.281 nan 8.380 nan 0.000 0.432 137 L N 0.798 122.024 121.223 0.005 0.000 1.988 137 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 137 L C 1.692 178.576 176.870 0.024 0.000 1.071 137 L CA 1.391 56.227 54.840 -0.008 0.000 0.744 137 L CB -0.401 41.595 42.059 -0.105 0.000 0.893 137 L HN 0.119 nan 8.230 nan 0.000 0.433 138 I N -0.403 120.151 120.570 -0.027 0.000 2.151 138 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 138 I C 2.599 178.769 176.117 0.089 0.000 1.080 138 I CA 1.725 63.026 61.300 0.003 0.000 1.339 138 I CB -1.790 36.200 38.000 -0.015 0.000 1.039 138 I HN 0.414 nan 8.210 nan 0.000 0.409 139 H N 0.702 119.770 119.070 -0.003 0.000 2.352 139 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 139 H C 2.300 177.642 175.328 0.024 0.000 1.097 139 H CA 2.494 58.547 56.048 0.008 0.000 1.311 139 H CB -0.198 29.562 29.762 -0.003 0.000 1.377 139 H HN 0.476 nan 8.280 nan 0.000 0.504 140 T N -3.179 111.465 114.554 0.151 0.000 3.037 140 T HA 0.121 4.471 4.350 -0.000 0.000 0.251 140 T C 1.706 176.457 174.700 0.086 0.000 1.079 140 T CA 0.475 62.632 62.100 0.096 0.000 1.067 140 T CB 0.410 69.323 68.868 0.076 0.000 0.948 140 T HN 0.009 nan 8.240 nan 0.000 0.496 141 K N -0.187 120.303 120.400 0.149 0.000 2.387 141 K HA 0.274 4.594 4.320 -0.000 0.000 0.197 141 K C 0.269 176.934 176.600 0.109 0.000 1.127 141 K CA 0.363 56.753 56.287 0.172 0.000 0.950 141 K CB 0.531 33.216 32.500 0.309 0.000 1.017 141 K HN 0.357 nan 8.250 nan 0.000 0.519 142 H N -0.788 118.271 119.070 -0.020 0.000 2.481 142 H HA 0.272 4.828 4.556 -0.000 0.000 0.273 142 H C -2.180 173.120 175.328 -0.048 0.000 1.145 142 H CA -2.163 53.868 56.048 -0.029 0.000 0.964 142 H CB 0.308 30.047 29.762 -0.040 0.000 1.722 142 H HN 0.051 nan 8.280 nan 0.000 0.573 143 P HA -0.237 nan 4.420 nan 0.000 0.218 143 P C 1.077 178.357 177.300 -0.035 0.000 1.147 143 P CA 1.479 64.558 63.100 -0.036 0.000 0.827 143 P CB 0.375 32.053 31.700 -0.036 0.000 0.778 144 Q N -0.855 118.941 119.800 -0.007 0.000 2.170 144 Q HA -0.091 4.249 4.340 -0.000 0.000 0.203 144 Q C 1.958 177.959 176.000 0.002 0.000 0.976 144 Q CA 1.180 56.981 55.803 -0.003 0.000 0.858 144 Q CB -1.089 27.653 28.738 0.007 0.000 0.907 144 Q HN 0.311 nan 8.270 nan 0.000 0.433 145 L N -0.612 120.618 121.223 0.013 0.000 2.418 145 L HA -0.013 4.327 4.340 -0.000 0.000 0.218 145 L C 1.601 178.447 176.870 -0.041 0.000 1.125 145 L CA -0.124 54.712 54.840 -0.007 0.000 0.835 145 L CB -0.276 41.774 42.059 -0.014 0.000 0.953 145 L HN 0.175 nan 8.230 nan 0.000 0.454 146 L N 0.457 121.638 121.223 -0.069 0.000 2.051 146 L HA -0.273 4.067 4.340 -0.000 0.000 0.214 146 L C 2.783 179.607 176.870 -0.077 0.000 1.076 146 L CA 2.253 57.020 54.840 -0.122 0.000 0.758 146 L CB -0.735 41.197 42.059 -0.211 0.000 0.890 146 L HN 0.442 nan 8.230 nan 0.000 0.433 147 S N -1.799 113.870 115.700 -0.050 0.000 2.561 147 S HA 0.045 4.515 4.470 -0.000 0.000 0.225 147 S C 1.726 176.319 174.600 -0.012 0.000 0.977 147 S CA 0.477 58.661 58.200 -0.028 0.000 0.926 147 S CB -0.298 62.889 63.200 -0.021 0.000 0.769 147 S HN 0.401 nan 8.310 nan 0.000 0.533 148 G N 0.509 109.301 108.800 -0.013 0.000 3.020 148 G HA2 0.354 4.314 3.960 -0.000 0.000 0.217 148 G HA3 0.354 4.314 3.960 -0.000 0.000 0.217 148 G C 0.234 175.138 174.900 0.007 0.000 1.144 148 G CA -0.402 44.698 45.100 -0.000 0.000 0.760 148 G HN 0.521 nan 8.290 nan 0.000 0.548 149 I N 0.813 121.380 120.570 -0.005 0.000 2.352 149 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 149 I C 1.597 177.741 176.117 0.045 0.000 1.036 149 I CA -0.415 60.886 61.300 0.003 0.000 1.336 149 I CB 1.737 39.726 38.000 -0.018 0.000 1.407 149 I HN -0.005 nan 8.210 nan 0.000 0.497 150 R N 4.434 124.997 120.500 0.104 0.000 2.115 150 R HA 0.156 4.496 4.340 -0.000 0.000 0.226 150 R C 0.586 176.940 176.300 0.090 0.000 1.100 150 R CA 0.747 56.926 56.100 0.131 0.000 0.980 150 R CB 0.256 30.730 30.300 0.289 0.000 0.875 150 R HN 0.880 nan 8.270 nan 0.000 0.445 151 G N -0.746 108.091 108.800 0.063 0.000 2.489 151 G HA2 0.376 4.336 3.960 -0.000 0.000 0.291 151 G HA3 0.376 4.336 3.960 -0.000 0.000 0.291 151 G C -1.482 173.410 174.900 -0.013 0.000 1.487 151 G CA -0.862 44.252 45.100 0.023 0.000 0.795 151 G HN 0.037 nan 8.290 nan 0.000 0.513 152 I N 0.082 120.635 120.570 -0.029 0.000 2.750 152 I HA 0.673 4.843 4.170 -0.000 0.000 0.308 152 I C 0.071 176.144 176.117 -0.073 0.000 1.016 152 I CA -0.973 60.294 61.300 -0.054 0.000 1.098 152 I CB 2.333 40.300 38.000 -0.055 0.000 1.279 152 I HN 0.394 nan 8.210 nan 0.000 0.454 153 S N 2.932 118.587 115.700 -0.074 0.000 2.652 153 S HA 0.294 4.764 4.470 -0.000 0.000 0.252 153 S C -0.873 173.697 174.600 -0.050 0.000 1.219 153 S CA -0.476 57.688 58.200 -0.059 0.000 1.151 153 S CB 0.389 63.563 63.200 -0.045 0.000 1.080 153 S HN 0.571 nan 8.310 nan 0.000 0.481 154 E N 2.350 122.517 120.200 -0.055 0.000 2.204 154 E HA 0.425 4.774 4.350 -0.000 0.000 0.276 154 E C 0.551 177.146 176.600 -0.009 0.000 0.974 154 E CA -0.445 55.928 56.400 -0.046 0.000 0.815 154 E CB 0.951 30.604 29.700 -0.079 0.000 1.119 154 E HN 0.715 nan 8.360 nan 0.000 0.393 155 E N 1.641 121.844 120.200 0.005 0.000 2.606 155 E HA 0.145 4.495 4.350 -0.000 0.000 0.224 155 E C -0.128 176.474 176.600 0.004 0.000 0.930 155 E CA -0.343 56.078 56.400 0.034 0.000 1.125 155 E CB 0.721 30.473 29.700 0.087 0.000 1.123 155 E HN 0.297 nan 8.360 nan 0.000 0.522 156 T N 0.522 115.051 114.554 -0.041 0.000 2.875 156 T HA 0.172 4.522 4.350 -0.000 0.000 0.284 156 T C 0.962 175.656 174.700 -0.009 0.000 0.995 156 T CA -0.037 62.008 62.100 -0.091 0.000 1.060 156 T CB 1.591 70.292 68.868 -0.277 0.000 0.967 156 T HN 0.103 nan 8.240 nan 0.000 0.476 157 T N 3.103 117.665 114.554 0.014 0.000 2.665 157 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 157 T C 2.075 176.852 174.700 0.128 0.000 1.035 157 T CA 1.981 64.132 62.100 0.085 0.000 1.151 157 T CB -0.456 68.459 68.868 0.079 0.000 0.862 157 T HN 0.663 nan 8.240 nan 0.000 0.438 158 T N 1.107 115.709 114.554 0.079 0.000 2.737 158 T HA 0.014 4.364 4.350 -0.000 0.000 0.265 158 T C 2.333 177.086 174.700 0.088 0.000 1.038 158 T CA 1.281 63.423 62.100 0.071 0.000 1.144 158 T CB -0.917 67.950 68.868 -0.003 0.000 0.866 158 T HN 0.539 nan 8.240 nan 0.000 0.434 159 G N 0.954 109.791 108.800 0.062 0.000 2.446 159 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 159 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 159 G C 1.700 176.618 174.900 0.030 0.000 1.168 159 G CA 0.882 46.009 45.100 0.045 0.000 0.771 159 G HN 0.425 nan 8.290 nan 0.000 0.551 160 V N 0.418 120.351 119.914 0.031 0.000 2.490 160 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 160 V C 2.359 178.497 176.094 0.074 0.000 1.061 160 V CA 2.283 64.560 62.300 -0.038 0.000 1.064 160 V CB -0.609 31.226 31.823 0.020 0.000 0.670 160 V HN 0.725 nan 8.190 nan 0.000 0.461 161 H N 0.382 119.517 119.070 0.108 0.000 2.353 161 H HA -0.209 4.347 4.556 -0.000 0.000 0.300 161 H C 2.311 177.715 175.328 0.126 0.000 1.090 161 H CA 1.922 58.083 56.048 0.188 0.000 1.327 161 H CB 0.091 29.937 29.762 0.139 0.000 1.383 161 H HN 0.500 nan 8.280 nan 0.000 0.508 162 N N 0.162 119.038 118.700 0.293 0.000 2.188 162 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 162 N C 1.953 177.507 175.510 0.072 0.000 1.018 162 N CA 1.075 54.225 53.050 0.166 0.000 0.858 162 N CB -0.199 38.329 38.487 0.067 0.000 0.989 162 N HN 0.415 nan 8.380 nan 0.000 0.426 163 L N -0.808 120.400 121.223 -0.025 0.000 2.027 163 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 163 L C 1.730 178.529 176.870 -0.119 0.000 1.074 163 L CA 1.047 55.798 54.840 -0.149 0.000 0.745 163 L CB -0.534 41.350 42.059 -0.292 0.000 0.898 163 L HN 0.250 nan 8.230 nan 0.000 0.433 164 Y N 0.148 120.436 120.300 -0.020 0.000 2.207 164 Y HA -0.316 4.234 4.550 -0.000 0.000 0.287 164 Y C 2.637 178.524 175.900 -0.021 0.000 1.156 164 Y CA 1.508 59.580 58.100 -0.046 0.000 1.182 164 Y CB -0.450 37.972 38.460 -0.064 0.000 0.979 164 Y HN 0.121 nan 8.280 nan 0.000 0.521 165 K N -0.172 120.333 120.400 0.175 0.000 2.025 165 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 165 K C 2.046 178.689 176.600 0.071 0.000 1.049 165 K CA 1.388 57.750 56.287 0.126 0.000 0.933 165 K CB -0.193 32.411 32.500 0.174 0.000 0.714 165 K HN 0.220 nan 8.250 nan 0.000 0.438 166 M N -0.019 119.604 119.600 0.037 0.000 2.082 166 M HA -0.233 4.247 4.480 -0.000 0.000 0.258 166 M C 2.366 178.675 176.300 0.016 0.000 1.069 166 M CA 1.472 56.774 55.300 0.004 0.000 1.102 166 M CB -0.273 32.289 32.600 -0.064 0.000 1.336 166 M HN 0.257 nan 8.290 nan 0.000 0.404 167 M N 0.024 119.631 119.600 0.012 0.000 2.099 167 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 167 M C 2.443 178.763 176.300 0.033 0.000 1.067 167 M CA 1.766 57.077 55.300 0.018 0.000 1.124 167 M CB -1.022 31.583 32.600 0.008 0.000 1.353 167 M HN 0.344 nan 8.290 nan 0.000 0.410 168 A N 0.466 123.314 122.820 0.046 0.000 2.076 168 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 168 A C 1.546 179.150 177.584 0.033 0.000 1.160 168 A CA 1.685 53.745 52.037 0.039 0.000 0.653 168 A CB -0.615 18.411 19.000 0.043 0.000 0.801 168 A HN 0.588 nan 8.150 nan 0.000 0.455 169 N N -1.302 117.419 118.700 0.035 0.000 2.203 169 N HA 0.209 4.949 4.740 -0.000 0.000 0.207 169 N C 0.958 176.487 175.510 0.032 0.000 1.130 169 N CA 0.817 53.886 53.050 0.032 0.000 0.861 169 N CB 0.516 39.023 38.487 0.034 0.000 1.005 169 N HN 0.562 nan 8.380 nan 0.000 0.507 170 G N 1.392 110.211 108.800 0.033 0.000 2.198 170 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 170 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 170 G C 0.785 175.714 174.900 0.048 0.000 1.025 170 G CA 0.496 45.618 45.100 0.035 0.000 0.769 170 G HN 0.417 nan 8.290 nan 0.000 0.507 171 I N -0.769 119.835 120.570 0.057 0.000 3.081 171 I HA 0.244 4.414 4.170 -0.000 0.000 0.274 171 I C 1.696 177.908 176.117 0.160 0.000 1.178 171 I CA -0.153 61.202 61.300 0.091 0.000 1.460 171 I CB 0.041 38.086 38.000 0.074 0.000 1.137 171 I HN 0.199 nan 8.210 nan 0.000 0.443 172 L N 3.367 124.651 121.223 0.102 0.000 2.513 172 L HA 0.024 4.364 4.340 -0.000 0.000 0.272 172 L C 0.649 177.646 176.870 0.213 0.000 1.187 172 L CA 0.482 55.410 54.840 0.147 0.000 0.895 172 L CB 0.353 42.424 42.059 0.020 0.000 1.147 172 L HN 0.210 nan 8.230 nan 0.000 0.483 173 K N 4.290 124.912 120.400 0.369 0.000 2.402 173 K HA 0.218 4.538 4.320 -0.000 0.000 0.204 173 K C -0.463 176.184 176.600 0.079 0.000 1.056 173 K CA 0.107 56.458 56.287 0.107 0.000 1.069 173 K CB 0.990 33.447 32.500 -0.073 0.000 0.888 173 K HN 0.425 nan 8.250 nan 0.000 0.546 174 V N 0.962 120.964 119.914 0.147 0.000 2.888 174 V HA 0.524 4.644 4.120 -0.000 0.000 0.309 174 V C -3.070 173.079 176.094 0.091 0.000 1.114 174 V CA -2.586 59.773 62.300 0.099 0.000 0.940 174 V CB 2.637 34.519 31.823 0.097 0.000 1.021 174 V HN -0.127 nan 8.190 nan 0.000 0.426 175 P HA 0.398 nan 4.420 nan 0.000 0.264 175 P C -0.719 176.625 177.300 0.072 0.000 1.193 175 P CA 0.463 63.647 63.100 0.139 0.000 0.763 175 P CB 0.702 32.520 31.700 0.197 0.000 0.810 176 A N 4.061 126.906 122.820 0.042 0.000 2.380 176 A HA 0.763 5.083 4.320 -0.000 0.000 0.315 176 A C -0.771 176.794 177.584 -0.033 0.000 1.101 176 A CA -0.792 51.218 52.037 -0.044 0.000 0.771 176 A CB 1.047 19.972 19.000 -0.124 0.000 1.287 176 A HN 0.465 nan 8.150 nan 0.000 0.436 177 I N 1.849 122.370 120.570 -0.083 0.000 2.436 177 I HA 0.203 4.373 4.170 -0.000 0.000 0.289 177 I C -0.584 175.483 176.117 -0.084 0.000 1.010 177 I CA -0.756 60.504 61.300 -0.067 0.000 1.098 177 I CB 1.933 39.870 38.000 -0.104 0.000 1.266 177 I HN 0.722 nan 8.210 nan 0.000 0.434 178 N N 6.284 124.919 118.700 -0.108 0.000 2.402 178 N HA 0.112 4.852 4.740 -0.000 0.000 0.252 178 N C 0.247 175.833 175.510 0.126 0.000 1.118 178 N CA 0.081 53.097 53.050 -0.056 0.000 0.945 178 N CB 1.360 39.757 38.487 -0.150 0.000 1.147 178 N HN 0.384 nan 8.380 nan 0.000 0.495 179 V N 3.641 123.609 119.914 0.089 0.000 3.174 179 V HA -0.050 4.070 4.120 -0.000 0.000 0.254 179 V C 2.029 178.197 176.094 0.124 0.000 1.120 179 V CA 0.893 63.260 62.300 0.112 0.000 1.114 179 V CB -0.705 31.166 31.823 0.080 0.000 0.756 179 V HN 0.716 nan 8.190 nan 0.000 0.467 180 N N 0.797 119.568 118.700 0.118 0.000 2.166 180 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 180 N C 1.234 176.828 175.510 0.139 0.000 1.019 180 N CA 1.489 54.604 53.050 0.109 0.000 0.856 180 N CB -0.064 38.480 38.487 0.095 0.000 0.993 180 N HN 0.340 nan 8.380 nan 0.000 0.426 181 D N 0.076 120.614 120.400 0.230 0.000 2.344 181 D HA 0.074 4.714 4.640 -0.000 0.000 0.242 181 D C -0.385 175.980 176.300 0.109 0.000 1.159 181 D CA 0.213 54.347 54.000 0.223 0.000 0.859 181 D CB 0.062 41.135 40.800 0.454 0.000 0.925 181 D HN 0.203 nan 8.370 nan 0.000 0.510 182 S N -0.456 115.310 115.700 0.110 0.000 2.584 182 S HA 0.123 4.593 4.470 -0.000 0.000 0.273 182 S C 1.919 176.527 174.600 0.012 0.000 1.311 182 S CA -0.788 57.443 58.200 0.052 0.000 1.034 182 S CB 2.377 65.615 63.200 0.062 0.000 0.939 182 S HN -0.078 nan 8.310 nan 0.000 0.513 183 V N 2.404 122.289 119.914 -0.050 0.000 2.343 183 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 183 V C 2.598 178.764 176.094 0.120 0.000 1.051 183 V CA 2.206 64.460 62.300 -0.076 0.000 1.036 183 V CB -1.690 29.880 31.823 -0.423 0.000 0.654 183 V HN 1.063 nan 8.190 nan 0.000 0.451 184 T N -2.085 112.464 114.554 -0.008 0.000 3.007 184 T HA -0.164 4.186 4.350 -0.000 0.000 0.270 184 T C 1.769 176.461 174.700 -0.014 0.000 1.107 184 T CA 1.260 63.242 62.100 -0.197 0.000 1.118 184 T CB -0.033 68.614 68.868 -0.368 0.000 0.889 184 T HN 0.364 nan 8.240 nan 0.000 0.506 185 K N 1.044 121.478 120.400 0.057 0.000 2.102 185 K HA 0.164 4.484 4.320 -0.000 0.000 0.206 185 K C 2.679 179.346 176.600 0.111 0.000 1.031 185 K CA 1.066 57.389 56.287 0.060 0.000 0.962 185 K CB -0.674 31.854 32.500 0.046 0.000 0.811 185 K HN 0.287 nan 8.250 nan 0.000 0.453 186 S N 1.117 116.869 115.700 0.087 0.000 2.359 186 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 186 S C 1.688 176.276 174.600 -0.020 0.000 1.038 186 S CA 1.490 59.713 58.200 0.038 0.000 1.051 186 S CB -0.094 63.121 63.200 0.024 0.000 0.944 186 S HN 0.231 nan 8.310 nan 0.000 0.433 187 K N 0.101 120.483 120.400 -0.030 0.000 2.442 187 K HA 0.063 4.383 4.320 -0.000 0.000 0.198 187 K C 1.280 177.535 176.600 -0.574 0.000 1.042 187 K CA 0.788 56.884 56.287 -0.319 0.000 0.958 187 K CB -0.417 31.840 32.500 -0.406 0.000 0.766 187 K HN 0.500 nan 8.250 nan 0.000 0.474 188 F N -0.092 119.815 119.950 -0.071 0.000 2.537 188 F HA 0.077 4.604 4.527 -0.000 0.000 0.277 188 F C 2.100 177.922 175.800 0.036 0.000 1.013 188 F CA 0.005 58.078 58.000 0.122 0.000 1.332 188 F CB -0.437 38.654 39.000 0.152 0.000 1.108 188 F HN -0.059 nan 8.300 nan 0.000 0.679 189 D N 0.870 121.376 120.400 0.177 0.000 2.077 189 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 189 D C 1.601 177.924 176.300 0.038 0.000 0.983 189 D CA 1.841 55.902 54.000 0.103 0.000 0.841 189 D CB -0.419 40.432 40.800 0.085 0.000 0.992 189 D HN 0.005 nan 8.370 nan 0.000 0.450 190 N N 0.297 119.014 118.700 0.029 0.000 2.037 190 N HA -0.166 4.573 4.740 -0.000 0.000 0.196 190 N C 1.678 177.117 175.510 -0.118 0.000 1.034 190 N CA 1.269 54.316 53.050 -0.005 0.000 0.861 190 N CB -0.679 37.787 38.487 -0.035 0.000 1.039 190 N HN 0.273 nan 8.380 nan 0.000 0.427 191 L N -0.523 120.560 121.223 -0.234 0.000 1.982 191 L HA -0.025 4.315 4.340 -0.000 0.000 0.206 191 L C 1.693 178.362 176.870 -0.335 0.000 1.078 191 L CA 1.556 56.172 54.840 -0.373 0.000 0.749 191 L CB -1.088 40.594 42.059 -0.629 0.000 0.894 191 L HN 0.103 nan 8.230 nan 0.000 0.436 192 Y N 0.452 120.666 120.300 -0.143 0.000 2.274 192 Y HA 0.003 4.553 4.550 -0.000 0.000 0.290 192 Y C 2.476 178.260 175.900 -0.195 0.000 1.145 192 Y CA 0.938 58.966 58.100 -0.120 0.000 1.203 192 Y CB -1.539 36.895 38.460 -0.043 0.000 0.984 192 Y HN 0.305 nan 8.280 nan 0.000 0.533 193 G N -0.769 107.900 108.800 -0.219 0.000 2.484 193 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 193 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 193 G C 1.756 176.199 174.900 -0.763 0.000 1.219 193 G CA 1.388 46.020 45.100 -0.780 0.000 0.791 193 G HN 0.472 nan 8.290 nan 0.000 0.550 194 C N -0.028 118.959 119.300 -0.522 0.000 2.419 194 C HA 0.071 4.531 4.460 -0.000 0.000 0.281 194 C C 2.790 177.740 174.990 -0.067 0.000 1.336 194 C CA 0.712 59.645 59.018 -0.141 0.000 1.770 194 C CB -0.971 26.753 27.740 -0.027 0.000 1.929 194 C HN 0.552 nan 8.230 nan 0.000 0.509 195 R N 0.907 121.361 120.500 -0.076 0.000 2.120 195 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 195 R C 1.930 178.248 176.300 0.029 0.000 1.123 195 R CA 1.646 57.742 56.100 -0.006 0.000 0.975 195 R CB -0.108 30.205 30.300 0.020 0.000 0.866 195 R HN 0.594 nan 8.270 nan 0.000 0.446 196 E N -1.015 119.188 120.200 0.004 0.000 2.201 196 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 196 E C 1.553 178.194 176.600 0.068 0.000 0.957 196 E CA 0.918 57.345 56.400 0.044 0.000 0.858 196 E CB 0.447 30.166 29.700 0.032 0.000 0.816 196 E HN 0.364 nan 8.360 nan 0.000 0.475 197 S N 0.029 115.763 115.700 0.055 0.000 2.548 197 S HA -0.011 4.459 4.470 -0.000 0.000 0.215 197 S C 1.815 176.481 174.600 0.110 0.000 0.976 197 S CA -0.021 58.249 58.200 0.115 0.000 0.908 197 S CB 0.117 63.453 63.200 0.226 0.000 0.781 197 S HN 0.204 nan 8.310 nan 0.000 0.519 198 L N 1.838 123.117 121.223 0.092 0.000 2.023 198 L HA 0.201 4.541 4.340 -0.000 0.000 0.205 198 L C 2.108 179.025 176.870 0.079 0.000 1.073 198 L CA 1.652 56.544 54.840 0.086 0.000 0.745 198 L CB -0.638 41.464 42.059 0.073 0.000 0.900 198 L HN 0.250 nan 8.230 nan 0.000 0.435 199 I N -0.061 120.564 120.570 0.092 0.000 2.493 199 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 199 I C 2.067 178.205 176.117 0.034 0.000 1.160 199 I CA 1.264 62.602 61.300 0.064 0.000 1.445 199 I CB -1.183 36.884 38.000 0.112 0.000 1.086 199 I HN 0.398 nan 8.210 nan 0.000 0.433 200 D N 1.363 121.800 120.400 0.062 0.000 2.097 200 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 200 D C 2.242 178.570 176.300 0.046 0.000 0.989 200 D CA 1.647 55.680 54.000 0.054 0.000 0.827 200 D CB -0.160 40.686 40.800 0.076 0.000 0.966 200 D HN 0.285 nan 8.370 nan 0.000 0.456 201 G N 0.656 109.490 108.800 0.058 0.000 2.433 201 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 201 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 201 G C 1.931 176.856 174.900 0.042 0.000 1.186 201 G CA 0.650 45.783 45.100 0.055 0.000 0.779 201 G HN 0.337 nan 8.290 nan 0.000 0.543 202 I N 0.437 121.031 120.570 0.039 0.000 2.151 202 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 202 I C 2.885 179.006 176.117 0.007 0.000 1.080 202 I CA 1.303 62.620 61.300 0.029 0.000 1.339 202 I CB -0.170 37.843 38.000 0.023 0.000 1.039 202 I HN 0.118 nan 8.210 nan 0.000 0.409 203 K N 0.561 120.954 120.400 -0.012 0.000 2.001 203 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 203 K C 2.234 178.828 176.600 -0.010 0.000 1.048 203 K CA 1.197 57.466 56.287 -0.031 0.000 0.932 203 K CB -0.315 32.148 32.500 -0.061 0.000 0.715 203 K HN 0.298 nan 8.250 nan 0.000 0.437 204 R N 0.411 120.915 120.500 0.005 0.000 2.127 204 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 204 R C 2.296 178.602 176.300 0.011 0.000 1.134 204 R CA 1.299 57.407 56.100 0.013 0.000 0.975 204 R CB -0.218 30.097 30.300 0.026 0.000 0.865 204 R HN 0.205 nan 8.270 nan 0.000 0.447 205 A N -0.089 122.739 122.820 0.014 0.000 1.874 205 A HA -0.107 4.213 4.320 -0.000 0.000 0.214 205 A C 2.115 179.707 177.584 0.013 0.000 1.189 205 A CA 1.766 53.812 52.037 0.015 0.000 0.615 205 A CB -0.288 18.727 19.000 0.025 0.000 0.830 205 A HN 0.456 nan 8.150 nan 0.000 0.443 206 T N -6.098 108.464 114.554 0.012 0.000 2.969 206 T HA 0.161 4.510 4.350 -0.000 0.000 0.250 206 T C 0.308 175.007 174.700 -0.002 0.000 1.021 206 T CA 0.854 62.961 62.100 0.011 0.000 1.003 206 T CB 0.152 69.033 68.868 0.022 0.000 1.040 206 T HN 0.319 nan 8.240 nan 0.000 0.492 207 D N 0.636 121.028 120.400 -0.012 0.000 3.012 207 D HA -0.126 4.514 4.640 -0.000 0.000 0.222 207 D C 0.129 176.409 176.300 -0.033 0.000 1.167 207 D CA 0.519 54.503 54.000 -0.026 0.000 0.854 207 D CB -1.743 39.047 40.800 -0.017 0.000 1.107 207 D HN 0.511 nan 8.370 nan 0.000 0.421 208 V N 0.625 120.521 119.914 -0.031 0.000 2.924 208 V HA 0.222 4.342 4.120 -0.000 0.000 0.305 208 V C 0.735 176.794 176.094 -0.060 0.000 1.073 208 V CA -0.264 62.018 62.300 -0.030 0.000 1.098 208 V CB 1.498 33.313 31.823 -0.013 0.000 1.000 208 V HN 0.231 nan 8.190 nan 0.000 0.484 209 M N 6.130 125.700 119.600 -0.050 0.000 2.120 209 M HA 0.303 4.783 4.480 -0.000 0.000 0.354 209 M C 0.413 176.678 176.300 -0.058 0.000 1.287 209 M CA -0.235 55.026 55.300 -0.066 0.000 1.103 209 M CB 0.808 33.386 32.600 -0.037 0.000 1.623 209 M HN 0.618 nan 8.290 nan 0.000 0.471 210 I N 3.275 123.790 120.570 -0.093 0.000 2.286 210 I HA 0.009 4.179 4.170 -0.000 0.000 0.245 210 I C 1.364 177.494 176.117 0.022 0.000 1.104 210 I CA 0.597 61.873 61.300 -0.040 0.000 1.397 210 I CB -1.691 36.273 38.000 -0.059 0.000 1.072 210 I HN 0.815 nan 8.210 nan 0.000 0.417 211 A N 0.774 123.618 122.820 0.040 0.000 2.565 211 A HA 0.316 4.635 4.320 -0.000 0.000 0.237 211 A C 1.569 179.173 177.584 0.033 0.000 1.053 211 A CA 0.875 52.950 52.037 0.063 0.000 0.755 211 A CB -0.536 18.505 19.000 0.069 0.000 0.980 211 A HN 0.834 nan 8.150 nan 0.000 0.506 212 G N 1.428 110.248 108.800 0.033 0.000 2.168 212 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.263 212 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.263 212 G C 0.282 175.186 174.900 0.007 0.000 0.977 212 G CA 0.904 46.015 45.100 0.018 0.000 0.659 212 G HN 0.819 nan 8.290 nan 0.000 0.533 213 K N -0.349 120.054 120.400 0.004 0.000 2.139 213 K HA 0.629 4.949 4.320 -0.000 0.000 0.243 213 K C -0.106 176.475 176.600 -0.030 0.000 0.983 213 K CA -0.825 55.453 56.287 -0.015 0.000 0.890 213 K CB 2.479 34.967 32.500 -0.019 0.000 1.090 213 K HN 0.013 nan 8.250 nan 0.000 0.445 214 V N 1.833 121.709 119.914 -0.063 0.000 2.348 214 V HA 0.262 4.382 4.120 -0.000 0.000 0.270 214 V C -0.179 175.811 176.094 -0.173 0.000 1.037 214 V CA -0.680 61.562 62.300 -0.096 0.000 0.872 214 V CB 0.869 32.630 31.823 -0.103 0.000 1.002 214 V HN 0.806 nan 8.190 nan 0.000 0.464 215 A N 5.566 128.300 122.820 -0.145 0.000 2.276 215 A HA 0.765 5.085 4.320 -0.000 0.000 0.316 215 A C -0.529 176.918 177.584 -0.229 0.000 1.229 215 A CA -0.456 51.469 52.037 -0.187 0.000 0.851 215 A CB 1.089 20.038 19.000 -0.085 0.000 1.165 215 A HN 0.614 nan 8.150 nan 0.000 0.513 216 V N 3.755 123.452 119.914 -0.361 0.000 2.370 216 V HA 0.366 4.486 4.120 -0.000 0.000 0.279 216 V C -0.245 175.762 176.094 -0.146 0.000 1.029 216 V CA -0.402 61.727 62.300 -0.285 0.000 0.870 216 V CB 1.314 32.886 31.823 -0.417 0.000 0.984 216 V HN 0.606 nan 8.190 nan 0.000 0.451 217 V N 4.464 124.315 119.914 -0.105 0.000 2.384 217 V HA 0.668 4.788 4.120 -0.000 0.000 0.287 217 V C 0.467 176.542 176.094 -0.032 0.000 1.020 217 V CA -0.613 61.653 62.300 -0.057 0.000 0.850 217 V CB 1.710 33.488 31.823 -0.074 0.000 0.987 217 V HN 0.951 nan 8.190 nan 0.000 0.436 218 A N 4.118 126.935 122.820 -0.004 0.000 2.309 218 A HA 0.781 5.101 4.320 -0.000 0.000 0.290 218 A C 0.694 178.288 177.584 0.017 0.000 1.206 218 A CA 0.382 52.420 52.037 0.001 0.000 0.850 218 A CB -0.018 18.982 19.000 -0.001 0.000 1.118 218 A HN 2.065 nan 8.150 nan 0.000 0.523 219 G N 0.649 109.468 108.800 0.031 0.000 3.019 219 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.686 219 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.686 219 G C -0.550 174.408 174.900 0.096 0.000 1.056 219 G CA -0.071 45.061 45.100 0.053 0.000 0.774 219 G HN 1.481 nan 8.290 nan 0.000 0.583 220 Y N 2.967 123.238 120.300 -0.048 0.000 2.751 220 Y HA 0.499 5.049 4.550 -0.000 0.000 0.289 220 Y C 1.480 177.354 175.900 -0.044 0.000 1.110 220 Y CA 0.265 58.328 58.100 -0.062 0.000 1.251 220 Y CB -0.053 38.373 38.460 -0.056 0.000 1.178 220 Y HN 0.909 nan 8.280 nan 0.000 0.540 221 G N -0.000 108.728 108.800 -0.120 0.000 2.485 221 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.260 221 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.260 221 G C 0.704 175.448 174.900 -0.260 0.000 1.459 221 G CA 0.140 45.154 45.100 -0.144 0.000 1.060 221 G HN 0.246 nan 8.290 nan 0.000 0.546 222 D N -1.113 119.172 120.400 -0.191 0.000 2.123 222 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 222 D C 2.732 178.902 176.300 -0.216 0.000 0.992 222 D CA 0.985 54.850 54.000 -0.225 0.000 0.833 222 D CB -0.246 40.454 40.800 -0.166 0.000 0.954 222 D HN 0.063 nan 8.370 nan 0.000 0.455 223 V N 1.005 120.836 119.914 -0.139 0.000 2.307 223 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 223 V C 2.612 178.634 176.094 -0.121 0.000 1.045 223 V CA 1.966 64.209 62.300 -0.096 0.000 1.024 223 V CB -1.016 30.789 31.823 -0.030 0.000 0.651 223 V HN 0.215 nan 8.190 nan 0.000 0.449 224 G N -0.410 108.305 108.800 -0.143 0.000 2.422 224 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 224 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 224 G C 1.675 176.427 174.900 -0.247 0.000 1.146 224 G CA 0.793 45.812 45.100 -0.135 0.000 0.769 224 G HN 0.458 nan 8.290 nan 0.000 0.547 225 K N 0.033 120.138 120.400 -0.493 0.000 2.026 225 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 225 K C 2.768 179.228 176.600 -0.233 0.000 1.048 225 K CA 1.055 56.993 56.287 -0.581 0.000 0.929 225 K CB -0.399 31.724 32.500 -0.628 0.000 0.713 225 K HN 0.276 nan 8.250 nan 0.000 0.439 226 G N 0.701 109.376 108.800 -0.208 0.000 2.402 226 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 226 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 226 G C 1.622 176.487 174.900 -0.058 0.000 1.162 226 G CA 0.904 45.925 45.100 -0.132 0.000 0.777 226 G HN 0.316 nan 8.290 nan 0.000 0.539 227 C N 0.888 120.154 119.300 -0.055 0.000 2.446 227 C HA 0.244 4.704 4.460 -0.000 0.000 0.277 227 C C 3.534 178.521 174.990 -0.004 0.000 1.275 227 C CA 0.698 59.708 59.018 -0.013 0.000 1.727 227 C CB -0.905 26.828 27.740 -0.013 0.000 2.010 227 C HN 0.557 nan 8.230 nan 0.000 0.486 228 A N -0.064 122.733 122.820 -0.039 0.000 1.908 228 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 228 A C 2.142 179.777 177.584 0.085 0.000 1.181 228 A CA 2.059 54.049 52.037 -0.078 0.000 0.627 228 A CB -0.771 18.073 19.000 -0.259 0.000 0.818 228 A HN 0.731 nan 8.150 nan 0.000 0.445 229 Q N -0.817 119.053 119.800 0.117 0.000 2.050 229 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 229 Q C 2.298 178.341 176.000 0.072 0.000 0.980 229 Q CA 1.499 57.384 55.803 0.137 0.000 0.840 229 Q CB -0.347 28.443 28.738 0.085 0.000 0.898 229 Q HN 0.629 nan 8.270 nan 0.000 0.424 230 A N 0.622 123.475 122.820 0.055 0.000 1.883 230 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 230 A C 2.021 179.686 177.584 0.136 0.000 1.186 230 A CA 1.510 53.587 52.037 0.066 0.000 0.624 230 A CB -0.823 18.238 19.000 0.103 0.000 0.822 230 A HN 0.432 nan 8.150 nan 0.000 0.444 231 L N -1.364 119.946 121.223 0.145 0.000 2.093 231 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 231 L C 2.798 179.763 176.870 0.157 0.000 1.085 231 L CA 1.364 56.309 54.840 0.175 0.000 0.755 231 L CB -0.529 41.587 42.059 0.095 0.000 0.904 231 L HN 0.361 nan 8.230 nan 0.000 0.435 232 R N 0.675 121.256 120.500 0.134 0.000 2.081 232 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 232 R C 2.153 178.484 176.300 0.051 0.000 1.131 232 R CA 1.590 57.767 56.100 0.128 0.000 0.960 232 R CB -0.606 29.813 30.300 0.198 0.000 0.856 232 R HN 0.434 nan 8.270 nan 0.000 0.436 233 G N -0.846 107.939 108.800 -0.025 0.000 2.535 233 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 233 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 233 G C 0.891 175.640 174.900 -0.252 0.000 1.122 233 G CA 0.209 45.208 45.100 -0.169 0.000 0.769 233 G HN 0.257 nan 8.290 nan 0.000 0.549 234 F N -0.162 119.804 119.950 0.026 0.000 2.721 234 F HA 0.364 4.891 4.527 -0.000 0.000 0.301 234 F C 1.863 177.672 175.800 0.015 0.000 1.096 234 F CA 0.073 58.084 58.000 0.019 0.000 1.308 234 F CB 0.806 39.816 39.000 0.018 0.000 1.086 234 F HN 0.220 nan 8.300 nan 0.000 0.587 235 G N 0.171 109.067 108.800 0.160 0.000 2.143 235 G HA2 0.056 4.016 3.960 -0.000 0.000 0.175 235 G HA3 0.056 4.016 3.960 -0.000 0.000 0.175 235 G C 0.089 175.041 174.900 0.086 0.000 1.004 235 G CA -0.268 44.894 45.100 0.102 0.000 0.671 235 G HN 0.539 nan 8.290 nan 0.000 0.512 236 A N -0.166 122.714 122.820 0.100 0.000 2.293 236 A HA 0.864 5.184 4.320 -0.000 0.000 0.302 236 A C 0.487 178.106 177.584 0.058 0.000 1.119 236 A CA -0.091 51.985 52.037 0.066 0.000 0.823 236 A CB 0.691 19.732 19.000 0.068 0.000 1.097 236 A HN 0.837 nan 8.150 nan 0.000 0.491 237 R N 1.939 122.457 120.500 0.031 0.000 2.215 237 R HA 0.481 4.821 4.340 -0.000 0.000 0.337 237 R C -1.468 174.847 176.300 0.024 0.000 1.010 237 R CA -0.251 55.869 56.100 0.034 0.000 0.871 237 R CB 0.339 30.646 30.300 0.011 0.000 1.134 237 R HN 0.447 nan 8.270 nan 0.000 0.477 238 V N 6.989 126.950 119.914 0.079 0.000 2.461 238 V HA 0.277 4.397 4.120 -0.000 0.000 0.275 238 V C 0.430 176.531 176.094 0.013 0.000 1.047 238 V CA -0.294 62.020 62.300 0.024 0.000 0.955 238 V CB 1.173 33.001 31.823 0.009 0.000 0.988 238 V HN 0.703 nan 8.190 nan 0.000 0.471 239 I N 5.686 126.213 120.570 -0.073 0.000 2.441 239 I HA 0.481 4.651 4.170 -0.000 0.000 0.295 239 I C -0.525 175.520 176.117 -0.120 0.000 0.994 239 I CA -0.437 60.821 61.300 -0.070 0.000 1.144 239 I CB 1.784 39.740 38.000 -0.074 0.000 1.314 239 I HN 0.347 nan 8.210 nan 0.000 0.445 240 I N 3.936 124.433 120.570 -0.121 0.000 2.562 240 I HA 0.440 4.610 4.170 -0.000 0.000 0.301 240 I C 0.170 176.238 176.117 -0.082 0.000 1.003 240 I CA -0.452 60.766 61.300 -0.137 0.000 1.127 240 I CB 1.940 39.796 38.000 -0.241 0.000 1.304 240 I HN 0.540 nan 8.210 nan 0.000 0.446 241 T N 2.347 116.869 114.554 -0.054 0.000 2.861 241 T HA 0.706 5.056 4.350 -0.000 0.000 0.287 241 T C -0.611 174.084 174.700 -0.010 0.000 1.003 241 T CA -0.520 61.559 62.100 -0.034 0.000 0.977 241 T CB 2.734 71.579 68.868 -0.038 0.000 0.996 241 T HN 0.593 nan 8.240 nan 0.000 0.448 242 E N 1.688 121.886 120.200 -0.003 0.000 2.412 242 E HA 0.358 4.708 4.350 -0.000 0.000 0.279 242 E C 0.389 176.999 176.600 0.016 0.000 0.984 242 E CA -0.565 55.847 56.400 0.019 0.000 0.788 242 E CB 2.128 31.848 29.700 0.033 0.000 1.277 242 E HN 0.840 nan 8.360 nan 0.000 0.455 243 I N -2.671 117.914 120.570 0.025 0.000 3.939 243 I HA 0.356 4.526 4.170 -0.000 0.000 0.313 243 I C 0.624 176.754 176.117 0.022 0.000 1.274 243 I CA -0.099 61.214 61.300 0.021 0.000 1.301 243 I CB 0.612 38.627 38.000 0.025 0.000 1.105 243 I HN 0.081 nan 8.210 nan 0.000 0.427 244 D N 3.714 124.132 120.400 0.029 0.000 2.295 244 D HA 0.199 4.839 4.640 -0.000 0.000 0.248 244 D C -1.514 174.801 176.300 0.026 0.000 1.154 244 D CA -2.209 51.808 54.000 0.029 0.000 0.857 244 D CB 1.902 42.725 40.800 0.037 0.000 1.117 244 D HN 0.038 nan 8.370 nan 0.000 0.468 245 P HA -0.082 nan 4.420 nan 0.000 0.220 245 P C 1.766 179.075 177.300 0.016 0.000 1.148 245 P CA 0.714 63.821 63.100 0.011 0.000 0.803 245 P CB 0.626 32.330 31.700 0.007 0.000 0.782 246 I N 0.261 120.844 120.570 0.022 0.000 2.193 246 I HA -0.170 4.000 4.170 -0.000 0.000 0.240 246 I C 2.339 178.488 176.117 0.053 0.000 1.084 246 I CA 1.190 62.507 61.300 0.028 0.000 1.365 246 I CB -0.834 37.179 38.000 0.022 0.000 1.064 246 I HN -0.072 nan 8.210 nan 0.000 0.410 247 N N 1.211 119.956 118.700 0.075 0.000 2.289 247 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 247 N C 1.859 177.443 175.510 0.124 0.000 1.016 247 N CA 1.428 54.570 53.050 0.154 0.000 0.872 247 N CB -0.065 38.515 38.487 0.155 0.000 0.973 247 N HN 0.366 nan 8.380 nan 0.000 0.433 248 A N 1.261 124.106 122.820 0.043 0.000 1.897 248 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 248 A C 2.180 179.739 177.584 -0.041 0.000 1.181 248 A CA 0.661 52.687 52.037 -0.019 0.000 0.620 248 A CB -0.523 18.470 19.000 -0.011 0.000 0.821 248 A HN 0.142 nan 8.150 nan 0.000 0.443 249 L N 0.172 121.390 121.223 -0.009 0.000 2.131 249 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 249 L C 2.481 179.344 176.870 -0.011 0.000 1.092 249 L CA 1.941 56.774 54.840 -0.012 0.000 0.759 249 L CB -0.739 41.320 42.059 0.000 0.000 0.903 249 L HN 0.495 nan 8.230 nan 0.000 0.435 250 Q N -1.011 118.804 119.800 0.026 0.000 2.050 250 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 250 Q C 2.272 178.261 176.000 -0.017 0.000 0.980 250 Q CA 1.634 57.483 55.803 0.076 0.000 0.840 250 Q CB -0.401 28.478 28.738 0.235 0.000 0.898 250 Q HN 0.635 nan 8.270 nan 0.000 0.424 251 A N 1.418 124.072 122.820 -0.277 0.000 1.908 251 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 251 A C 2.347 179.857 177.584 -0.124 0.000 1.181 251 A CA 1.806 53.543 52.037 -0.500 0.000 0.627 251 A CB -0.870 17.666 19.000 -0.773 0.000 0.818 251 A HN 0.412 nan 8.150 nan 0.000 0.445 252 A N -0.898 121.859 122.820 -0.105 0.000 1.877 252 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 252 A C 2.068 179.607 177.584 -0.076 0.000 1.186 252 A CA 1.994 53.989 52.037 -0.070 0.000 0.620 252 A CB -0.490 18.479 19.000 -0.052 0.000 0.822 252 A HN 0.424 nan 8.150 nan 0.000 0.443 253 M N 0.002 119.567 119.600 -0.058 0.000 2.539 253 M HA -0.040 4.439 4.480 -0.000 0.000 0.261 253 M C 0.813 177.063 176.300 -0.083 0.000 1.069 253 M CA 0.900 56.168 55.300 -0.052 0.000 1.081 253 M CB -1.009 31.578 32.600 -0.022 0.000 1.412 253 M HN 0.346 nan 8.290 nan 0.000 0.482 254 E N -0.470 119.654 120.200 -0.127 0.000 2.476 254 E HA 0.281 4.631 4.350 -0.000 0.000 0.196 254 E C 1.211 177.531 176.600 -0.467 0.000 1.029 254 E CA 0.397 56.651 56.400 -0.243 0.000 0.896 254 E CB 0.161 29.754 29.700 -0.179 0.000 1.012 254 E HN 0.569 nan 8.360 nan 0.000 0.475 255 G N 1.298 109.908 108.800 -0.316 0.000 2.136 255 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 255 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 255 G C -0.396 174.337 174.900 -0.279 0.000 0.989 255 G CA -0.098 44.831 45.100 -0.285 0.000 0.682 255 G HN 0.161 nan 8.290 nan 0.000 0.522 256 Y N 0.664 120.898 120.300 -0.110 0.000 2.330 256 Y HA 0.529 5.079 4.550 0.000 0.000 0.336 256 Y C 0.701 176.530 175.900 -0.119 0.000 1.036 256 Y CA -1.282 56.744 58.100 -0.123 0.000 1.125 256 Y CB 1.055 39.399 38.460 -0.194 0.000 1.194 256 Y HN 0.355 nan 8.280 nan 0.000 0.469 257 E N 2.300 122.545 120.200 0.075 0.000 2.373 257 E HA 0.400 4.750 4.350 -0.000 0.000 0.267 257 E C -1.486 175.107 176.600 -0.010 0.000 1.032 257 E CA -0.310 56.098 56.400 0.012 0.000 0.889 257 E CB 0.720 30.421 29.700 0.002 0.000 0.984 257 E HN 0.438 nan 8.360 nan 0.000 0.425 258 V N 5.148 125.045 119.914 -0.028 0.000 2.376 258 V HA 0.343 4.463 4.120 -0.000 0.000 0.287 258 V C -0.198 175.876 176.094 -0.032 0.000 1.015 258 V CA -0.464 61.809 62.300 -0.045 0.000 0.834 258 V CB 1.305 33.093 31.823 -0.058 0.000 1.001 258 V HN 0.901 nan 8.190 nan 0.000 0.428 259 T N 1.048 115.583 114.554 -0.032 0.000 2.669 259 T HA 0.591 4.941 4.350 -0.000 0.000 0.283 259 T C 0.073 174.759 174.700 -0.024 0.000 1.019 259 T CA -0.658 61.429 62.100 -0.022 0.000 1.039 259 T CB 1.810 70.668 68.868 -0.017 0.000 1.374 259 T HN 0.655 nan 8.240 nan 0.000 0.523 260 T N -0.958 113.586 114.554 -0.016 0.000 2.918 260 T HA 0.414 4.764 4.350 -0.000 0.000 0.283 260 T C 1.170 175.850 174.700 -0.034 0.000 1.001 260 T CA -0.745 61.345 62.100 -0.017 0.000 1.041 260 T CB 0.925 69.793 68.868 0.000 0.000 1.028 260 T HN 0.480 nan 8.240 nan 0.000 0.511 261 M N 0.944 120.500 119.600 -0.073 0.000 2.213 261 M HA -0.022 4.458 4.480 -0.000 0.000 0.263 261 M C 1.252 177.471 176.300 -0.136 0.000 1.062 261 M CA 1.582 56.772 55.300 -0.183 0.000 1.105 261 M CB -1.106 31.252 32.600 -0.403 0.000 1.385 261 M HN 0.698 nan 8.290 nan 0.000 0.417 262 D N 0.144 120.556 120.400 0.020 0.000 2.149 262 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 262 D C 1.921 178.261 176.300 0.068 0.000 0.990 262 D CA 1.229 55.302 54.000 0.122 0.000 0.839 262 D CB -0.093 40.762 40.800 0.090 0.000 0.948 262 D HN 0.457 nan 8.370 nan 0.000 0.460 263 E N 0.088 120.306 120.200 0.031 0.000 2.099 263 E HA 0.114 4.464 4.350 -0.000 0.000 0.191 263 E C 2.116 178.735 176.600 0.030 0.000 0.962 263 E CA 0.580 56.997 56.400 0.027 0.000 0.826 263 E CB -0.365 29.344 29.700 0.014 0.000 0.788 263 E HN 0.154 nan 8.360 nan 0.000 0.461 264 A N 1.634 124.463 122.820 0.016 0.000 1.972 264 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 264 A C 2.584 180.233 177.584 0.109 0.000 1.169 264 A CA 1.635 53.686 52.037 0.024 0.000 0.635 264 A CB -1.175 17.819 19.000 -0.010 0.000 0.810 264 A HN 0.503 nan 8.150 nan 0.000 0.446 265 C N -0.115 119.265 119.300 0.133 0.000 2.411 265 C HA -0.077 4.383 4.460 -0.000 0.000 0.279 265 C C 2.228 177.353 174.990 0.226 0.000 1.288 265 C CA 1.130 60.283 59.018 0.225 0.000 1.764 265 C CB -1.274 26.473 27.740 0.011 0.000 1.974 265 C HN 0.602 nan 8.230 nan 0.000 0.498 266 K N 0.853 121.335 120.400 0.136 0.000 2.432 266 K HA 0.031 4.351 4.320 -0.000 0.000 0.196 266 K C 1.815 178.482 176.600 0.111 0.000 1.038 266 K CA 0.943 57.300 56.287 0.118 0.000 0.986 266 K CB -0.107 32.440 32.500 0.079 0.000 0.782 266 K HN 0.661 nan 8.250 nan 0.000 0.485 267 E N 0.885 121.142 120.200 0.094 0.000 2.290 267 E HA 0.036 4.386 4.350 -0.000 0.000 0.199 267 E C 0.862 177.455 176.600 -0.011 0.000 0.912 267 E CA -0.148 56.275 56.400 0.038 0.000 0.924 267 E CB 0.425 30.126 29.700 0.003 0.000 0.901 267 E HN 0.243 nan 8.360 nan 0.000 0.487 268 G N 1.196 109.946 108.800 -0.084 0.000 2.474 268 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.233 268 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.233 268 G C 0.409 175.153 174.900 -0.261 0.000 1.278 268 G CA -0.139 44.685 45.100 -0.460 0.000 0.861 268 G HN 0.119 nan 8.290 nan 0.000 0.567 269 N N -0.247 118.277 118.700 -0.294 0.000 2.332 269 N HA 0.165 4.905 4.740 -0.000 0.000 0.190 269 N C 0.200 175.670 175.510 -0.065 0.000 1.117 269 N CA 0.305 53.307 53.050 -0.080 0.000 0.883 269 N CB 0.724 39.176 38.487 -0.058 0.000 1.089 269 N HN 0.453 nan 8.380 nan 0.000 0.480 270 I N 0.565 120.974 120.570 -0.270 0.000 2.607 270 I HA 0.315 4.484 4.170 -0.000 0.000 0.290 270 I C -1.518 174.395 176.117 -0.340 0.000 1.129 270 I CA -0.630 60.598 61.300 -0.120 0.000 1.042 270 I CB 1.972 39.935 38.000 -0.061 0.000 1.242 270 I HN -0.275 nan 8.210 nan 0.000 0.421 271 F N 5.411 125.361 119.950 -0.000 0.000 2.482 271 F HA 0.664 5.191 4.527 0.000 0.000 0.331 271 F C -0.248 175.547 175.800 -0.009 0.000 1.115 271 F CA -0.962 57.022 58.000 -0.026 0.000 0.955 271 F CB 1.996 40.961 39.000 -0.060 0.000 1.136 271 F HN -0.069 nan 8.300 nan 0.000 0.452 272 V N 1.520 121.506 119.914 0.120 0.000 2.525 272 V HA 0.453 4.573 4.120 -0.000 0.000 0.299 272 V C -0.468 175.665 176.094 0.064 0.000 1.034 272 V CA -0.992 61.358 62.300 0.083 0.000 0.863 272 V CB 1.833 33.682 31.823 0.043 0.000 0.999 272 V HN 0.810 nan 8.190 nan 0.000 0.423 273 T N -0.257 114.338 114.554 0.068 0.000 2.744 273 T HA 0.418 4.768 4.350 -0.000 0.000 0.291 273 T C 0.697 175.427 174.700 0.049 0.000 0.957 273 T CA 0.157 62.286 62.100 0.050 0.000 1.002 273 T CB 1.237 70.133 68.868 0.048 0.000 0.919 273 T HN 0.864 nan 8.240 nan 0.000 0.468 274 T N -0.410 114.165 114.554 0.036 0.000 3.084 274 T HA 0.226 4.576 4.350 -0.000 0.000 0.270 274 T C 0.721 175.441 174.700 0.034 0.000 1.008 274 T CA -0.317 61.802 62.100 0.031 0.000 0.900 274 T CB -0.150 68.723 68.868 0.008 0.000 1.084 274 T HN 0.566 nan 8.240 nan 0.000 0.538 275 T N 1.402 115.979 114.554 0.039 0.000 2.795 275 T HA 0.447 4.797 4.350 -0.000 0.000 0.314 275 T C 1.369 176.104 174.700 0.058 0.000 1.069 275 T CA 0.344 62.471 62.100 0.045 0.000 1.071 275 T CB 0.679 69.571 68.868 0.040 0.000 0.988 275 T HN 0.424 nan 8.240 nan 0.000 0.543 276 G N -0.642 108.198 108.800 0.067 0.000 3.502 276 G HA2 0.366 4.326 3.960 -0.000 0.000 0.267 276 G HA3 0.366 4.326 3.960 -0.000 0.000 0.267 276 G C 0.370 175.315 174.900 0.076 0.000 1.090 276 G CA -0.102 45.045 45.100 0.077 0.000 0.795 276 G HN 0.954 nan 8.290 nan 0.000 0.535 277 C N -0.658 118.682 119.300 0.067 0.000 3.108 277 C HA 0.826 5.286 4.460 -0.000 0.000 0.321 277 C C 0.660 175.679 174.990 0.048 0.000 1.357 277 C CA -0.750 58.302 59.018 0.056 0.000 1.562 277 C CB 1.213 28.985 27.740 0.052 0.000 2.003 277 C HN 0.448 nan 8.230 nan 0.000 0.460 278 V N 0.432 120.367 119.914 0.035 0.000 3.185 278 V HA 0.398 4.518 4.120 -0.000 0.000 0.305 278 V C 0.098 176.207 176.094 0.026 0.000 1.090 278 V CA 0.509 62.825 62.300 0.027 0.000 1.107 278 V CB 0.230 32.061 31.823 0.014 0.000 1.061 278 V HN 1.074 nan 8.190 nan 0.000 0.480 279 D N 0.275 120.690 120.400 0.025 0.000 2.705 279 D HA -0.166 4.474 4.640 -0.000 0.000 0.240 279 D C 0.546 176.861 176.300 0.025 0.000 1.137 279 D CA 0.755 54.769 54.000 0.023 0.000 0.677 279 D CB -0.719 40.092 40.800 0.018 0.000 1.049 279 D HN 0.512 nan 8.370 nan 0.000 0.427 280 I N -0.458 120.118 120.570 0.009 0.000 2.429 280 I HA 0.066 4.236 4.170 -0.000 0.000 0.247 280 I C 1.502 177.572 176.117 -0.079 0.000 1.099 280 I CA 0.733 62.020 61.300 -0.021 0.000 1.422 280 I CB -0.040 37.947 38.000 -0.022 0.000 1.112 280 I HN 0.126 nan 8.210 nan 0.000 0.430 281 I N 2.400 122.908 120.570 -0.104 0.000 2.390 281 I HA 0.215 4.385 4.170 -0.000 0.000 0.283 281 I C -0.691 175.302 176.117 -0.206 0.000 1.016 281 I CA -0.363 60.790 61.300 -0.245 0.000 1.151 281 I CB 1.481 39.182 38.000 -0.498 0.000 1.293 281 I HN -0.103 nan 8.210 nan 0.000 0.458 282 L N 4.211 125.407 121.223 -0.045 0.000 2.397 282 L HA 0.563 4.903 4.340 -0.000 0.000 0.266 282 L C 1.672 178.217 176.870 -0.542 0.000 1.040 282 L CA -0.037 54.635 54.840 -0.280 0.000 0.800 282 L CB 0.680 42.538 42.059 -0.335 0.000 1.324 282 L HN 0.545 nan 8.230 nan 0.000 0.469 283 G N -0.204 108.115 108.800 -0.802 0.000 2.432 283 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 283 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 283 G C 1.475 175.836 174.900 -0.897 0.000 1.135 283 G CA 0.863 44.947 45.100 -1.693 0.000 0.767 283 G HN 0.717 nan 8.290 nan 0.000 0.550 284 R N -0.366 119.755 120.500 -0.630 0.000 2.159 284 R HA -0.060 4.280 4.340 -0.000 0.000 0.237 284 R C 1.967 178.025 176.300 -0.403 0.000 1.131 284 R CA 1.818 57.653 56.100 -0.442 0.000 0.982 284 R CB -0.714 29.320 30.300 -0.444 0.000 0.868 284 R HN 0.541 nan 8.270 nan 0.000 0.453 285 H N -0.764 118.082 119.070 -0.375 0.000 2.329 285 H HA 0.063 4.619 4.556 -0.000 0.000 0.306 285 H C 1.595 176.689 175.328 -0.390 0.000 1.062 285 H CA 1.253 57.065 56.048 -0.393 0.000 1.364 285 H CB -0.128 29.305 29.762 -0.547 0.000 1.409 285 H HN 0.048 nan 8.280 nan 0.000 0.519 286 F N 1.808 121.554 119.950 -0.340 0.000 2.115 286 F HA -0.220 4.307 4.527 -0.000 0.000 0.300 286 F C 2.135 177.835 175.800 -0.167 0.000 1.092 286 F CA 1.553 59.355 58.000 -0.331 0.000 1.245 286 F CB -0.435 38.238 39.000 -0.545 0.000 0.995 286 F HN 0.248 nan 8.300 nan 0.000 0.481 287 E N -0.955 119.243 120.200 -0.004 0.000 2.333 287 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 287 E C 1.925 178.553 176.600 0.047 0.000 1.007 287 E CA 0.866 57.304 56.400 0.062 0.000 0.845 287 E CB -0.172 29.555 29.700 0.045 0.000 0.766 287 E HN 0.411 nan 8.360 nan 0.000 0.507 288 Q N -0.309 119.512 119.800 0.036 0.000 2.349 288 Q HA 0.129 4.469 4.340 -0.000 0.000 0.209 288 Q C 0.332 176.415 176.000 0.140 0.000 0.920 288 Q CA 0.148 55.991 55.803 0.067 0.000 0.901 288 Q CB 0.385 29.152 28.738 0.050 0.000 1.021 288 Q HN 0.169 nan 8.270 nan 0.000 0.519 289 M N 1.919 121.596 119.600 0.129 0.000 2.235 289 M HA -0.073 4.407 4.480 -0.000 0.000 0.336 289 M C 0.053 176.522 176.300 0.281 0.000 1.146 289 M CA 0.800 56.214 55.300 0.191 0.000 1.018 289 M CB 0.234 32.889 32.600 0.093 0.000 1.694 289 M HN -0.029 nan 8.290 nan 0.000 0.451 290 K N 1.478 122.002 120.400 0.206 0.000 2.336 290 K HA 0.023 4.343 4.320 -0.000 0.000 0.262 290 K C -0.351 176.198 176.600 -0.086 0.000 0.992 290 K CA -0.421 55.895 56.287 0.049 0.000 0.927 290 K CB 0.203 32.730 32.500 0.046 0.000 0.956 290 K HN 0.512 nan 8.250 nan 0.000 0.495 291 D N 1.322 121.469 120.400 -0.421 0.000 2.488 291 D HA -0.086 4.554 4.640 -0.000 0.000 0.238 291 D C -0.151 176.111 176.300 -0.063 0.000 1.138 291 D CA 0.852 54.662 54.000 -0.316 0.000 0.873 291 D CB 0.248 40.833 40.800 -0.359 0.000 1.183 291 D HN 0.489 nan 8.370 nan 0.000 0.458 292 D N 1.088 121.500 120.400 0.020 0.000 2.870 292 D HA -0.191 4.449 4.640 -0.000 0.000 0.228 292 D C -0.738 175.622 176.300 0.099 0.000 1.147 292 D CA 0.972 55.009 54.000 0.063 0.000 0.757 292 D CB -1.266 39.554 40.800 0.034 0.000 1.091 292 D HN 0.530 nan 8.370 nan 0.000 0.429 293 A N 0.439 123.346 122.820 0.144 0.000 2.492 293 A HA 0.419 4.739 4.320 -0.000 0.000 0.254 293 A C 0.792 178.518 177.584 0.236 0.000 1.091 293 A CA 0.005 52.179 52.037 0.228 0.000 0.768 293 A CB 0.317 19.523 19.000 0.344 0.000 1.028 293 A HN 0.338 nan 8.150 nan 0.000 0.498 294 I N 3.453 124.158 120.570 0.226 0.000 2.337 294 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 294 I C -0.429 175.850 176.117 0.271 0.000 1.046 294 I CA -0.153 61.267 61.300 0.200 0.000 1.324 294 I CB 1.114 39.193 38.000 0.131 0.000 1.409 294 I HN 0.293 nan 8.210 nan 0.000 0.494 295 V N 6.455 126.515 119.914 0.243 0.000 2.513 295 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 295 V C -0.120 176.089 176.094 0.191 0.000 1.035 295 V CA -0.453 61.989 62.300 0.237 0.000 0.889 295 V CB 1.605 33.554 31.823 0.210 0.000 0.988 295 V HN 1.006 nan 8.190 nan 0.000 0.440 296 C N 2.643 122.045 119.300 0.171 0.000 3.311 296 C HA 0.847 5.307 4.460 -0.000 0.000 0.325 296 C C -0.976 174.089 174.990 0.125 0.000 1.352 296 C CA -1.013 58.090 59.018 0.142 0.000 1.308 296 C CB 1.213 29.027 27.740 0.123 0.000 1.619 296 C HN 0.895 nan 8.230 nan 0.000 0.469 297 N N -0.151 118.620 118.700 0.119 0.000 2.238 297 N HA 0.709 5.449 4.740 -0.000 0.000 0.302 297 N C -0.652 174.921 175.510 0.104 0.000 1.072 297 N CA -0.720 52.395 53.050 0.107 0.000 0.792 297 N CB 1.860 40.414 38.487 0.111 0.000 1.425 297 N HN 0.944 nan 8.380 nan 0.000 0.478 298 I N 1.033 121.658 120.570 0.091 0.000 4.338 298 I HA 0.498 4.668 4.170 -0.000 0.000 0.329 298 I C 0.513 176.682 176.117 0.085 0.000 1.378 298 I CA -0.317 61.036 61.300 0.089 0.000 1.170 298 I CB 0.166 38.214 38.000 0.080 0.000 1.206 298 I HN 0.651 nan 8.210 nan 0.000 0.432 299 G N -0.347 108.504 108.800 0.085 0.000 2.406 299 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.251 299 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.251 299 G C 0.613 175.578 174.900 0.109 0.000 1.271 299 G CA 0.075 45.226 45.100 0.085 0.000 0.859 299 G HN 0.375 nan 8.290 nan 0.000 0.540 300 H N 1.795 120.828 119.070 -0.063 0.000 2.375 300 H HA -0.194 4.362 4.556 -0.000 0.000 0.289 300 H C 0.360 175.580 175.328 -0.179 0.000 1.121 300 H CA 1.364 57.306 56.048 -0.176 0.000 1.207 300 H CB -0.189 29.352 29.762 -0.370 0.000 1.355 300 H HN 0.330 nan 8.280 nan 0.000 0.486 301 F N -0.051 119.849 119.950 -0.084 0.000 2.457 301 F HA 0.188 4.715 4.527 -0.000 0.000 0.330 301 F C 1.263 177.029 175.800 -0.055 0.000 1.069 301 F CA -0.867 57.030 58.000 -0.171 0.000 1.009 301 F CB 0.809 39.696 39.000 -0.188 0.000 1.276 301 F HN 0.155 nan 8.300 nan 0.000 0.492 302 D N 0.020 120.534 120.400 0.190 0.000 2.587 302 D HA 0.021 4.661 4.640 -0.000 0.000 0.233 302 D C 0.729 177.068 176.300 0.065 0.000 1.213 302 D CA 0.259 54.322 54.000 0.106 0.000 0.827 302 D CB -0.405 40.440 40.800 0.074 0.000 1.006 302 D HN 0.291 nan 8.370 nan 0.000 0.490 303 V N -3.388 116.565 119.914 0.064 0.000 3.647 303 V HA 0.211 4.331 4.120 -0.000 0.000 0.279 303 V C 1.541 177.665 176.094 0.049 0.000 1.314 303 V CA 0.118 62.434 62.300 0.028 0.000 1.125 303 V CB -0.275 31.540 31.823 -0.014 0.000 0.907 303 V HN -0.013 nan 8.190 nan 0.000 0.434 304 E N 1.277 121.518 120.200 0.069 0.000 2.170 304 E HA 0.230 4.580 4.350 -0.000 0.000 0.191 304 E C 0.356 176.985 176.600 0.049 0.000 0.981 304 E CA 0.667 57.101 56.400 0.057 0.000 0.830 304 E CB 0.247 29.985 29.700 0.063 0.000 0.775 304 E HN 0.607 nan 8.360 nan 0.000 0.470 305 I N 1.709 122.325 120.570 0.076 0.000 2.412 305 I HA 0.103 4.273 4.170 -0.000 0.000 0.296 305 I C -0.285 175.925 176.117 0.154 0.000 0.987 305 I CA -0.754 60.610 61.300 0.106 0.000 1.180 305 I CB 1.440 39.532 38.000 0.154 0.000 1.340 305 I HN -0.202 nan 8.210 nan 0.000 0.455 306 D N 5.605 126.137 120.400 0.220 0.000 2.483 306 D HA 0.155 4.795 4.640 -0.000 0.000 0.220 306 D C 0.778 177.229 176.300 0.252 0.000 1.173 306 D CA -0.003 54.134 54.000 0.228 0.000 0.964 306 D CB 0.983 41.923 40.800 0.233 0.000 1.046 306 D HN 0.245 nan 8.370 nan 0.000 0.517 307 V N 3.675 123.676 119.914 0.145 0.000 2.591 307 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 307 V C 2.046 178.156 176.094 0.026 0.000 1.053 307 V CA 1.153 63.485 62.300 0.053 0.000 1.068 307 V CB -0.314 31.559 31.823 0.084 0.000 0.689 307 V HN 0.364 nan 8.190 nan 0.000 0.462 308 K N -0.035 120.409 120.400 0.074 0.000 2.063 308 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 308 K C 1.712 178.335 176.600 0.038 0.000 1.048 308 K CA 1.920 58.237 56.287 0.051 0.000 0.928 308 K CB -0.797 31.738 32.500 0.059 0.000 0.713 308 K HN 0.606 nan 8.250 nan 0.000 0.442 309 W N 1.419 122.668 121.300 -0.085 0.000 2.335 309 W HA -0.159 4.501 4.660 -0.000 0.000 0.311 309 W C 1.580 177.957 176.519 -0.237 0.000 1.213 309 W CA 1.452 58.730 57.345 -0.111 0.000 1.274 309 W CB -0.239 29.194 29.460 -0.045 0.000 1.148 309 W HN -0.011 nan 8.180 nan 0.000 0.498 310 L N 0.820 122.040 121.223 -0.004 0.000 2.013 310 L HA -0.339 4.001 4.340 -0.000 0.000 0.212 310 L C 2.250 178.882 176.870 -0.396 0.000 1.073 310 L CA 1.813 56.385 54.840 -0.447 0.000 0.753 310 L CB -0.969 40.462 42.059 -1.047 0.000 0.890 310 L HN 0.092 nan 8.230 nan 0.000 0.432 311 N N 0.005 118.596 118.700 -0.183 0.000 2.223 311 N HA -0.170 4.570 4.740 -0.000 0.000 0.185 311 N C 1.354 176.802 175.510 -0.103 0.000 1.016 311 N CA 1.200 54.256 53.050 0.009 0.000 0.863 311 N CB -0.087 38.434 38.487 0.055 0.000 0.983 311 N HN 0.494 nan 8.380 nan 0.000 0.429 312 E N -0.602 119.459 120.200 -0.231 0.000 2.474 312 E HA 0.190 4.540 4.350 -0.000 0.000 0.195 312 E C 0.554 176.891 176.600 -0.439 0.000 1.039 312 E CA -0.043 56.196 56.400 -0.269 0.000 0.881 312 E CB 0.360 29.929 29.700 -0.219 0.000 0.970 312 E HN 0.330 nan 8.360 nan 0.000 0.486 313 N N 0.318 118.617 118.700 -0.670 0.000 2.325 313 N HA 0.101 4.841 4.740 -0.000 0.000 0.220 313 N C 0.252 175.464 175.510 -0.496 0.000 1.176 313 N CA 0.069 52.639 53.050 -0.800 0.000 0.861 313 N CB 0.865 38.297 38.487 -1.759 0.000 1.230 313 N HN -0.033 nan 8.380 nan 0.000 0.479 314 A N 1.275 123.874 122.820 -0.368 0.000 2.498 314 A HA 0.169 4.489 4.320 -0.000 0.000 0.239 314 A C 1.612 179.159 177.584 -0.061 0.000 1.068 314 A CA -0.072 51.898 52.037 -0.112 0.000 0.766 314 A CB 0.508 19.566 19.000 0.096 0.000 1.003 314 A HN -0.024 nan 8.150 nan 0.000 0.497 315 V N 1.510 121.412 119.914 -0.021 0.000 2.407 315 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 315 V C 0.997 177.086 176.094 -0.008 0.000 1.055 315 V CA 2.477 64.767 62.300 -0.017 0.000 1.049 315 V CB -1.022 30.803 31.823 0.003 0.000 0.662 315 V HN 1.068 nan 8.190 nan 0.000 0.455 316 E N -0.955 119.253 120.200 0.013 0.000 2.388 316 E HA 0.460 4.810 4.350 -0.000 0.000 0.281 316 E C -0.895 175.695 176.600 -0.017 0.000 1.046 316 E CA -0.974 55.423 56.400 -0.005 0.000 0.825 316 E CB 1.490 31.181 29.700 -0.013 0.000 1.243 316 E HN 0.139 nan 8.360 nan 0.000 0.438 317 K N 1.908 122.252 120.400 -0.093 0.000 2.345 317 K HA 0.589 4.909 4.320 -0.000 0.000 0.255 317 K C -1.811 174.651 176.600 -0.230 0.000 0.934 317 K CA -0.792 55.325 56.287 -0.283 0.000 0.801 317 K CB 2.119 34.354 32.500 -0.442 0.000 1.137 317 K HN 0.366 nan 8.250 nan 0.000 0.424 318 V N 4.252 124.022 119.914 -0.240 0.000 2.483 318 V HA 0.246 4.366 4.120 -0.000 0.000 0.297 318 V C -0.499 175.501 176.094 -0.158 0.000 1.027 318 V CA -1.080 61.130 62.300 -0.150 0.000 0.855 318 V CB 1.541 33.311 31.823 -0.088 0.000 0.995 318 V HN 0.912 nan 8.190 nan 0.000 0.424 319 N N 4.727 123.353 118.700 -0.124 0.000 2.458 319 N HA 0.154 4.894 4.740 -0.000 0.000 0.270 319 N C 0.492 175.964 175.510 -0.064 0.000 1.102 319 N CA -0.473 52.518 53.050 -0.099 0.000 0.967 319 N CB 1.344 39.786 38.487 -0.076 0.000 1.078 319 N HN 0.528 nan 8.380 nan 0.000 0.471 320 I N 2.570 123.109 120.570 -0.051 0.000 2.480 320 I HA -0.040 4.130 4.170 -0.000 0.000 0.251 320 I C 0.899 177.000 176.117 -0.027 0.000 1.124 320 I CA 1.337 62.618 61.300 -0.032 0.000 1.444 320 I CB -0.907 37.081 38.000 -0.019 0.000 1.098 320 I HN 0.705 nan 8.210 nan 0.000 0.428 321 K N -0.514 119.868 120.400 -0.031 0.000 2.809 321 K HA 0.345 4.665 4.320 -0.000 0.000 0.293 321 K C -3.163 173.412 176.600 -0.041 0.000 1.061 321 K CA -1.359 54.911 56.287 -0.028 0.000 0.837 321 K CB 0.429 32.918 32.500 -0.019 0.000 1.524 321 K HN -0.384 nan 8.250 nan 0.000 0.370 322 P HA -0.024 nan 4.420 nan 0.000 0.261 322 P C -0.831 176.403 177.300 -0.110 0.000 1.173 322 P CA 0.772 63.824 63.100 -0.081 0.000 0.760 322 P CB 0.297 31.956 31.700 -0.068 0.000 0.783 323 Q N -0.660 119.040 119.800 -0.167 0.000 2.481 323 Q HA -0.142 4.198 4.340 -0.000 0.000 0.258 323 Q C -0.807 175.160 176.000 -0.056 0.000 0.961 323 Q CA 1.009 56.712 55.803 -0.167 0.000 1.121 323 Q CB -2.095 26.514 28.738 -0.215 0.000 1.503 323 Q HN 0.283 nan 8.270 nan 0.000 0.544 324 V N 0.690 120.581 119.914 -0.037 0.000 2.532 324 V HA 0.476 4.596 4.120 -0.000 0.000 0.294 324 V C -0.526 175.558 176.094 -0.017 0.000 1.036 324 V CA -0.859 61.439 62.300 -0.003 0.000 0.876 324 V CB 2.137 33.959 31.823 -0.003 0.000 1.012 324 V HN 0.072 nan 8.190 nan 0.000 0.432 325 D N 3.347 123.748 120.400 0.003 0.000 2.619 325 D HA 0.491 5.130 4.640 -0.000 0.000 0.241 325 D C -0.511 175.760 176.300 -0.047 0.000 1.087 325 D CA -0.650 53.297 54.000 -0.089 0.000 0.851 325 D CB 3.029 43.716 40.800 -0.187 0.000 1.474 325 D HN 0.374 nan 8.370 nan 0.000 0.478 326 R N 2.233 122.657 120.500 -0.126 0.000 2.320 326 R HA 0.290 4.630 4.340 -0.000 0.000 0.319 326 R C -1.108 175.149 176.300 -0.070 0.000 0.969 326 R CA -0.539 55.553 56.100 -0.014 0.000 0.857 326 R CB 0.385 30.687 30.300 0.002 0.000 1.160 326 R HN 0.312 nan 8.270 nan 0.000 0.491 327 Y N 3.162 123.472 120.300 0.017 0.000 2.320 327 Y HA 0.290 4.840 4.550 -0.000 0.000 0.324 327 Y C 0.021 175.936 175.900 0.025 0.000 1.190 327 Y CA -0.738 57.364 58.100 0.003 0.000 1.215 327 Y CB 1.155 39.602 38.460 -0.023 0.000 1.221 327 Y HN 0.409 nan 8.280 nan 0.000 0.486 328 L N 4.275 125.599 121.223 0.169 0.000 2.287 328 L HA 0.533 4.873 4.340 -0.000 0.000 0.287 328 L C -1.331 175.610 176.870 0.118 0.000 1.022 328 L CA -0.361 54.553 54.840 0.123 0.000 0.814 328 L CB 0.445 42.547 42.059 0.072 0.000 1.217 328 L HN 0.536 nan 8.230 nan 0.000 0.420 329 L N 4.707 126.010 121.223 0.134 0.000 2.375 329 L HA 0.421 4.761 4.340 -0.000 0.000 0.268 329 L C 1.323 178.236 176.870 0.073 0.000 1.058 329 L CA -0.795 54.113 54.840 0.113 0.000 0.803 329 L CB 1.100 43.263 42.059 0.174 0.000 1.212 329 L HN 0.683 nan 8.230 nan 0.000 0.451 330 K N 1.059 121.485 120.400 0.044 0.000 2.160 330 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 330 K C 1.406 178.016 176.600 0.017 0.000 1.047 330 K CA 1.723 58.023 56.287 0.022 0.000 0.930 330 K CB -0.210 32.295 32.500 0.010 0.000 0.720 330 K HN 0.645 nan 8.250 nan 0.000 0.450 331 N N 0.010 118.714 118.700 0.006 0.000 2.571 331 N HA -0.052 4.688 4.740 -0.000 0.000 0.189 331 N C 0.988 176.468 175.510 -0.050 0.000 1.154 331 N CA 1.169 54.179 53.050 -0.067 0.000 0.907 331 N CB 0.114 38.493 38.487 -0.179 0.000 0.977 331 N HN 0.271 nan 8.380 nan 0.000 0.449 332 G N -0.988 107.841 108.800 0.047 0.000 2.157 332 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.248 332 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.248 332 G C -0.436 174.614 174.900 0.249 0.000 0.979 332 G CA 0.162 45.332 45.100 0.117 0.000 0.650 332 G HN 0.666 nan 8.290 nan 0.000 0.529 333 H N 0.054 119.170 119.070 0.077 0.000 2.467 333 H HA 0.591 5.147 4.556 -0.000 0.000 0.331 333 H C 0.495 175.883 175.328 0.101 0.000 1.120 333 H CA -0.892 55.209 56.048 0.088 0.000 1.270 333 H CB 0.930 30.751 29.762 0.099 0.000 1.466 333 H HN 0.097 nan 8.280 nan 0.000 0.504 334 R N 1.741 122.354 120.500 0.188 0.000 2.500 334 R HA 0.387 4.727 4.340 -0.000 0.000 0.277 334 R C -0.684 175.720 176.300 0.173 0.000 1.026 334 R CA -0.448 55.745 56.100 0.156 0.000 1.058 334 R CB 0.764 31.126 30.300 0.103 0.000 1.078 334 R HN 0.478 nan 8.270 nan 0.000 0.509 335 I N 3.356 124.046 120.570 0.199 0.000 2.500 335 I HA 0.295 4.465 4.170 -0.000 0.000 0.286 335 I C -0.549 175.715 176.117 0.244 0.000 1.063 335 I CA -0.482 60.947 61.300 0.215 0.000 1.062 335 I CB 1.687 39.806 38.000 0.197 0.000 1.223 335 I HN 0.545 nan 8.210 nan 0.000 0.435 336 I N 6.268 126.959 120.570 0.203 0.000 2.291 336 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 336 I C 0.077 176.320 176.117 0.209 0.000 1.064 336 I CA -0.217 61.194 61.300 0.185 0.000 1.269 336 I CB 1.007 39.083 38.000 0.127 0.000 1.418 336 I HN 0.288 nan 8.210 nan 0.000 0.485 337 L N 7.530 128.910 121.223 0.261 0.000 2.312 337 L HA 0.524 4.864 4.340 -0.000 0.000 0.281 337 L C -0.657 176.322 176.870 0.182 0.000 1.070 337 L CA -0.573 54.416 54.840 0.249 0.000 0.805 337 L CB 1.324 43.593 42.059 0.349 0.000 1.174 337 L HN 0.522 nan 8.230 nan 0.000 0.434 338 L N 4.743 126.060 121.223 0.156 0.000 2.329 338 L HA 0.433 4.773 4.340 -0.000 0.000 0.279 338 L C 0.992 177.932 176.870 0.116 0.000 1.014 338 L CA -0.556 54.352 54.840 0.114 0.000 0.814 338 L CB 1.585 43.706 42.059 0.102 0.000 1.257 338 L HN 0.873 nan 8.230 nan 0.000 0.424 339 A N 2.342 125.204 122.820 0.071 0.000 2.798 339 A HA -0.259 4.061 4.320 -0.000 0.000 0.282 339 A C 0.860 178.560 177.584 0.194 0.000 1.464 339 A CA 1.370 53.451 52.037 0.074 0.000 0.844 339 A CB -1.940 17.137 19.000 0.129 0.000 1.006 339 A HN 1.009 nan 8.150 nan 0.000 0.577 340 E N -3.687 116.620 120.200 0.178 0.000 2.539 340 E HA -0.195 4.155 4.350 -0.000 0.000 0.253 340 E C 1.249 177.977 176.600 0.214 0.000 1.145 340 E CA 1.427 57.964 56.400 0.228 0.000 0.738 340 E CB -1.763 28.122 29.700 0.309 0.000 1.308 340 E HN 2.495 nan 8.360 nan 0.000 0.409 341 G N -0.561 108.353 108.800 0.190 0.000 2.159 341 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.256 341 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.256 341 G C 0.291 175.289 174.900 0.162 0.000 0.977 341 G CA 0.602 45.802 45.100 0.166 0.000 0.652 341 G HN 0.296 nan 8.290 nan 0.000 0.531 342 R N -1.112 119.507 120.500 0.198 0.000 2.608 342 R HA 0.663 5.002 4.340 -0.000 0.000 0.255 342 R C 0.419 176.831 176.300 0.185 0.000 1.086 342 R CA -1.171 55.048 56.100 0.199 0.000 1.125 342 R CB 0.296 30.758 30.300 0.268 0.000 1.193 342 R HN 0.055 nan 8.270 nan 0.000 0.553 343 L N 1.715 123.045 121.223 0.177 0.000 2.700 343 L HA -0.126 4.214 4.340 -0.000 0.000 0.276 343 L C 1.335 178.285 176.870 0.135 0.000 1.200 343 L CA 0.809 55.735 54.840 0.144 0.000 0.951 343 L CB 0.175 42.314 42.059 0.134 0.000 1.226 343 L HN 0.544 nan 8.230 nan 0.000 0.489 344 V N 4.830 124.813 119.914 0.115 0.000 2.453 344 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 344 V C 2.068 178.215 176.094 0.088 0.000 1.048 344 V CA 1.820 64.181 62.300 0.102 0.000 1.049 344 V CB -0.299 31.581 31.823 0.096 0.000 0.672 344 V HN 1.109 nan 8.190 nan 0.000 0.457 345 N N 0.547 119.297 118.700 0.084 0.000 2.142 345 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 345 N C 1.708 177.255 175.510 0.062 0.000 1.023 345 N CA 2.072 55.172 53.050 0.083 0.000 0.852 345 N CB -0.741 37.816 38.487 0.117 0.000 0.998 345 N HN 0.506 nan 8.380 nan 0.000 0.424 346 L N -0.434 120.810 121.223 0.035 0.000 2.375 346 L HA 0.220 4.559 4.340 -0.000 0.000 0.215 346 L C 2.376 179.306 176.870 0.100 0.000 1.108 346 L CA 0.812 55.669 54.840 0.028 0.000 0.830 346 L CB -0.191 41.830 42.059 -0.063 0.000 0.959 346 L HN 0.335 nan 8.230 nan 0.000 0.457 347 G N -2.036 106.838 108.800 0.122 0.000 2.595 347 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.213 347 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.213 347 G C 1.173 176.109 174.900 0.060 0.000 1.141 347 G CA 0.370 45.554 45.100 0.140 0.000 0.806 347 G HN 0.384 nan 8.290 nan 0.000 0.530 348 C N 0.155 119.489 119.300 0.057 0.000 3.336 348 C HA 0.786 5.246 4.460 -0.000 0.000 0.291 348 C C 1.212 176.229 174.990 0.045 0.000 1.363 348 C CA -0.001 59.038 59.018 0.036 0.000 1.737 348 C CB -0.712 27.050 27.740 0.037 0.000 2.274 348 C HN 0.585 nan 8.230 nan 0.000 0.663 349 A N -0.094 122.761 122.820 0.059 0.000 2.583 349 A HA 0.753 5.073 4.320 -0.000 0.000 0.299 349 A C -0.092 177.534 177.584 0.071 0.000 1.258 349 A CA -0.186 51.889 52.037 0.064 0.000 0.682 349 A CB 0.287 19.329 19.000 0.070 0.000 1.332 349 A HN 0.016 nan 8.150 nan 0.000 0.485 350 M N 1.071 120.717 119.600 0.078 0.000 2.551 350 M HA 0.305 4.785 4.480 -0.000 0.000 0.252 350 M C 0.964 177.308 176.300 0.074 0.000 1.219 350 M CA 0.903 56.252 55.300 0.082 0.000 0.978 350 M CB -1.091 31.565 32.600 0.093 0.000 1.533 350 M HN 1.549 nan 8.290 nan 0.000 0.474 351 G N 0.930 109.767 108.800 0.062 0.000 2.645 351 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.239 351 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.239 351 G C -0.576 174.411 174.900 0.145 0.000 1.331 351 G CA -0.538 44.579 45.100 0.028 0.000 0.890 351 G HN 0.642 nan 8.290 nan 0.000 0.572 352 H N 1.345 120.410 119.070 -0.008 0.000 2.679 352 H HA 0.356 4.912 4.556 -0.000 0.000 0.369 352 H C -1.740 173.601 175.328 0.021 0.000 1.178 352 H CA -0.859 55.191 56.048 0.003 0.000 1.419 352 H CB 0.546 30.290 29.762 -0.030 0.000 1.458 352 H HN 0.351 nan 8.280 nan 0.000 0.605 353 P HA -0.018 nan 4.420 nan 0.000 0.272 353 P C 0.252 177.625 177.300 0.121 0.000 1.240 353 P CA -0.070 63.107 63.100 0.128 0.000 0.791 353 P CB 0.749 32.521 31.700 0.119 0.000 0.978 354 S N 0.166 115.939 115.700 0.122 0.000 2.356 354 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 354 S C 1.596 176.270 174.600 0.122 0.000 1.032 354 S CA 1.029 59.295 58.200 0.109 0.000 1.005 354 S CB -1.146 62.123 63.200 0.114 0.000 0.867 354 S HN 0.475 nan 8.310 nan 0.000 0.449 355 F N 2.067 122.037 119.950 0.034 0.000 2.091 355 F HA -0.177 4.350 4.527 0.000 0.000 0.299 355 F C 2.401 178.196 175.800 -0.007 0.000 1.103 355 F CA 1.320 59.346 58.000 0.044 0.000 1.228 355 F CB -0.617 38.404 39.000 0.035 0.000 0.984 355 F HN 0.046 nan 8.300 nan 0.000 0.477 356 V N 0.095 120.052 119.914 0.072 0.000 2.548 356 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 356 V C 2.208 178.193 176.094 -0.182 0.000 1.055 356 V CA 1.489 63.756 62.300 -0.055 0.000 1.065 356 V CB -0.222 31.653 31.823 0.086 0.000 0.681 356 V HN 0.303 nan 8.190 nan 0.000 0.462 357 M N -0.485 119.004 119.600 -0.186 0.000 2.296 357 M HA -0.076 4.404 4.480 -0.000 0.000 0.265 357 M C 2.441 178.440 176.300 -0.502 0.000 1.064 357 M CA 1.848 56.865 55.300 -0.472 0.000 1.109 357 M CB -1.632 30.705 32.600 -0.439 0.000 1.396 357 M HN 0.470 nan 8.290 nan 0.000 0.430 358 S N 0.447 116.014 115.700 -0.223 0.000 2.399 358 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 358 S C 1.722 176.279 174.600 -0.072 0.000 1.022 358 S CA 1.624 59.799 58.200 -0.041 0.000 0.983 358 S CB -0.110 63.123 63.200 0.055 0.000 0.803 358 S HN 0.478 nan 8.310 nan 0.000 0.480 359 N N 0.981 119.468 118.700 -0.355 0.000 2.080 359 N HA 0.003 4.742 4.740 -0.000 0.000 0.189 359 N C 1.995 177.396 175.510 -0.183 0.000 1.036 359 N CA 1.774 54.575 53.050 -0.415 0.000 0.846 359 N CB -0.455 37.701 38.487 -0.551 0.000 1.015 359 N HN 0.329 nan 8.380 nan 0.000 0.423 360 S N 0.216 115.794 115.700 -0.203 0.000 2.348 360 S HA -0.074 4.396 4.470 -0.000 0.000 0.221 360 S C 1.607 176.264 174.600 0.094 0.000 1.033 360 S CA 0.909 59.047 58.200 -0.103 0.000 1.010 360 S CB -0.485 62.579 63.200 -0.226 0.000 0.891 360 S HN 0.239 nan 8.310 nan 0.000 0.442 361 F N 2.223 122.176 119.950 0.005 0.000 2.269 361 F HA -0.040 4.487 4.527 0.000 0.000 0.301 361 F C 2.723 178.532 175.800 0.015 0.000 1.082 361 F CA 0.466 58.474 58.000 0.014 0.000 1.360 361 F CB -1.886 37.117 39.000 0.005 0.000 1.041 361 F HN 0.163 nan 8.300 nan 0.000 0.512 362 T N -0.270 114.400 114.554 0.193 0.000 2.777 362 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 362 T C 1.975 176.736 174.700 0.103 0.000 1.040 362 T CA 1.179 63.357 62.100 0.130 0.000 1.141 362 T CB -0.269 68.675 68.868 0.125 0.000 0.868 362 T HN 0.249 nan 8.240 nan 0.000 0.444 363 N N 0.826 119.579 118.700 0.088 0.000 2.166 363 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 363 N C 2.086 177.648 175.510 0.087 0.000 1.019 363 N CA 0.928 54.023 53.050 0.075 0.000 0.856 363 N CB -0.092 38.432 38.487 0.062 0.000 0.993 363 N HN 0.397 nan 8.380 nan 0.000 0.426 364 Q N 0.730 120.607 119.800 0.129 0.000 2.050 364 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 364 Q C 2.340 178.375 176.000 0.058 0.000 0.980 364 Q CA 0.901 56.771 55.803 0.112 0.000 0.840 364 Q CB -0.490 28.354 28.738 0.177 0.000 0.898 364 Q HN 0.225 nan 8.270 nan 0.000 0.424 365 V N 1.108 121.057 119.914 0.058 0.000 2.407 365 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 365 V C 2.395 178.481 176.094 -0.013 0.000 1.055 365 V CA 1.658 63.967 62.300 0.014 0.000 1.049 365 V CB -0.595 31.242 31.823 0.025 0.000 0.662 365 V HN 0.340 nan 8.190 nan 0.000 0.455 366 M N -0.107 119.500 119.600 0.011 0.000 2.117 366 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 366 M C 2.373 178.670 176.300 -0.006 0.000 1.065 366 M CA 2.078 57.379 55.300 0.002 0.000 1.114 366 M CB -0.542 32.084 32.600 0.044 0.000 1.361 366 M HN 0.410 nan 8.290 nan 0.000 0.408 367 A N -0.355 122.462 122.820 -0.006 0.000 1.930 367 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 367 A C 2.092 179.632 177.584 -0.074 0.000 1.175 367 A CA 1.154 53.160 52.037 -0.052 0.000 0.627 367 A CB -0.456 18.521 19.000 -0.038 0.000 0.815 367 A HN 0.419 nan 8.150 nan 0.000 0.443 368 Q N -0.271 119.503 119.800 -0.044 0.000 2.084 368 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 368 Q C 2.074 178.071 176.000 -0.004 0.000 0.978 368 Q CA 1.362 57.141 55.803 -0.039 0.000 0.844 368 Q CB -0.358 28.348 28.738 -0.053 0.000 0.898 368 Q HN 0.783 nan 8.270 nan 0.000 0.426 369 I N 0.665 121.214 120.570 -0.034 0.000 2.353 369 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 369 I C 2.223 178.322 176.117 -0.030 0.000 1.119 369 I CA 0.707 61.983 61.300 -0.041 0.000 1.417 369 I CB -0.086 37.816 38.000 -0.164 0.000 1.078 369 I HN 0.092 nan 8.210 nan 0.000 0.421 370 E N 0.630 120.832 120.200 0.004 0.000 2.017 370 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 370 E C 2.249 178.879 176.600 0.050 0.000 0.997 370 E CA 1.192 57.662 56.400 0.117 0.000 0.804 370 E CB -0.352 29.388 29.700 0.067 0.000 0.757 370 E HN 0.234 nan 8.360 nan 0.000 0.448 371 L N 0.286 121.426 121.223 -0.138 0.000 2.046 371 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 371 L C 2.173 179.089 176.870 0.078 0.000 1.077 371 L CA 1.474 56.252 54.840 -0.103 0.000 0.747 371 L CB -1.262 40.720 42.059 -0.128 0.000 0.896 371 L HN 0.375 nan 8.230 nan 0.000 0.432 372 W N -0.142 121.086 121.300 -0.119 0.000 2.408 372 W HA -0.189 4.471 4.660 -0.000 0.000 0.311 372 W C 2.146 178.587 176.519 -0.129 0.000 1.190 372 W CA 1.583 58.860 57.345 -0.113 0.000 1.321 372 W CB -0.003 29.383 29.460 -0.124 0.000 1.143 372 W HN 0.075 nan 8.180 nan 0.000 0.501 373 T N -0.518 113.918 114.554 -0.196 0.000 2.812 373 T HA -0.145 4.205 4.350 -0.000 0.000 0.264 373 T C -0.365 174.037 174.700 -0.497 0.000 1.042 373 T CA 1.217 63.045 62.100 -0.454 0.000 1.140 373 T CB -0.332 68.221 68.868 -0.526 0.000 0.870 373 T HN 0.109 nan 8.240 nan 0.000 0.445 374 H N 0.496 119.569 119.070 0.005 0.000 2.439 374 H HA 0.257 4.813 4.556 -0.000 0.000 0.239 374 H C -1.838 173.551 175.328 0.102 0.000 1.432 374 H CA -2.004 54.062 56.048 0.030 0.000 1.373 374 H CB 1.237 31.042 29.762 0.071 0.000 1.463 374 H HN 0.176 nan 8.280 nan 0.000 0.530 375 P HA -0.156 nan 4.420 nan 0.000 0.214 375 P C 0.771 178.124 177.300 0.088 0.000 1.162 375 P CA 1.064 64.214 63.100 0.083 0.000 0.874 375 P CB 0.549 32.221 31.700 -0.046 0.000 0.784 376 D N -0.241 120.171 120.400 0.020 0.000 2.403 376 D HA -0.127 4.513 4.640 -0.000 0.000 0.227 376 D C 1.748 178.003 176.300 -0.075 0.000 0.995 376 D CA 0.724 54.713 54.000 -0.018 0.000 0.928 376 D CB -0.103 40.679 40.800 -0.029 0.000 0.887 376 D HN 0.322 nan 8.370 nan 0.000 0.529 377 K N -0.019 120.310 120.400 -0.118 0.000 2.361 377 K HA -0.049 4.271 4.320 -0.000 0.000 0.196 377 K C -0.276 175.877 176.600 -0.745 0.000 1.039 377 K CA 0.305 56.344 56.287 -0.414 0.000 1.001 377 K CB 0.396 32.597 32.500 -0.498 0.000 0.795 377 K HN 0.087 nan 8.250 nan 0.000 0.495 378 Y N 2.035 122.233 120.300 -0.171 0.000 2.749 378 Y HA 0.303 4.853 4.550 -0.000 0.000 0.343 378 Y C -2.289 173.581 175.900 -0.050 0.000 1.015 378 Y CA -2.758 55.148 58.100 -0.324 0.000 1.270 378 Y CB 0.984 39.258 38.460 -0.309 0.000 1.097 378 Y HN 0.060 nan 8.280 nan 0.000 0.571 379 P HA 0.046 nan 4.420 nan 0.000 0.272 379 P C -0.011 177.448 177.300 0.266 0.000 1.240 379 P CA -0.236 62.966 63.100 0.170 0.000 0.791 379 P CB 1.319 33.094 31.700 0.127 0.000 0.978 380 V N 0.730 120.737 119.914 0.156 0.000 2.584 380 V HA 0.361 4.481 4.120 -0.000 0.000 0.303 380 V C 1.259 177.403 176.094 0.083 0.000 1.035 380 V CA 1.818 64.191 62.300 0.122 0.000 1.172 380 V CB -0.936 30.932 31.823 0.076 0.000 0.896 380 V HN 1.132 nan 8.190 nan 0.000 0.486 381 G N 3.284 112.093 108.800 0.015 0.000 2.359 381 G HA2 0.322 4.282 3.960 -0.000 0.000 0.293 381 G HA3 0.322 4.282 3.960 -0.000 0.000 0.293 381 G C -1.335 173.361 174.900 -0.341 0.000 1.300 381 G CA -0.128 44.876 45.100 -0.159 0.000 0.888 381 G HN 1.270 nan 8.290 nan 0.000 0.541 382 V N 0.644 120.282 119.914 -0.459 0.000 2.384 382 V HA 0.841 4.961 4.120 -0.000 0.000 0.287 382 V C -0.218 175.522 176.094 -0.590 0.000 1.020 382 V CA -0.437 61.571 62.300 -0.487 0.000 0.850 382 V CB 0.444 31.909 31.823 -0.598 0.000 0.987 382 V HN 0.944 nan 8.190 nan 0.000 0.436 383 H N 5.571 124.552 119.070 -0.147 0.000 2.713 383 H HA 0.757 5.313 4.556 -0.000 0.000 0.340 383 H C -1.142 174.078 175.328 -0.180 0.000 1.271 383 H CA -0.602 55.388 56.048 -0.097 0.000 1.306 383 H CB 1.231 31.119 29.762 0.210 0.000 1.839 383 H HN 0.611 nan 8.280 nan 0.000 0.627 384 F N -0.049 120.091 119.950 0.316 0.000 2.523 384 F HA 0.325 4.852 4.527 -0.000 0.000 0.329 384 F C -0.388 175.538 175.800 0.210 0.000 1.061 384 F CA -1.015 57.112 58.000 0.213 0.000 0.967 384 F CB 0.921 40.030 39.000 0.182 0.000 1.218 384 F HN 0.179 nan 8.300 nan 0.000 0.480 385 L N 4.338 125.785 121.223 0.373 0.000 2.371 385 L HA 0.421 4.761 4.340 -0.000 0.000 0.272 385 L C -1.950 175.045 176.870 0.209 0.000 1.124 385 L CA -2.249 52.739 54.840 0.247 0.000 0.816 385 L CB -0.125 42.035 42.059 0.169 0.000 1.129 385 L HN 0.335 nan 8.230 nan 0.000 0.448 386 P HA 0.012 nan 4.420 nan 0.000 0.269 386 P C 0.180 177.529 177.300 0.082 0.000 1.209 386 P CA -0.257 62.912 63.100 0.114 0.000 0.776 386 P CB 0.659 32.408 31.700 0.081 0.000 0.876 387 K N 1.724 122.162 120.400 0.062 0.000 2.113 387 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 387 K C 1.928 178.547 176.600 0.032 0.000 1.047 387 K CA 1.447 57.765 56.287 0.052 0.000 0.928 387 K CB -0.058 32.471 32.500 0.050 0.000 0.716 387 K HN 0.170 nan 8.250 nan 0.000 0.446 388 K N 0.801 121.207 120.400 0.010 0.000 2.063 388 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 388 K C 1.956 178.570 176.600 0.024 0.000 1.048 388 K CA 1.378 57.660 56.287 -0.008 0.000 0.928 388 K CB -0.353 32.138 32.500 -0.016 0.000 0.713 388 K HN 0.254 nan 8.250 nan 0.000 0.442 389 L N 0.430 121.680 121.223 0.045 0.000 2.156 389 L HA -0.162 4.177 4.340 -0.000 0.000 0.208 389 L C 2.191 179.090 176.870 0.048 0.000 1.095 389 L CA 0.965 55.841 54.840 0.059 0.000 0.770 389 L CB -0.421 41.685 42.059 0.078 0.000 0.914 389 L HN 0.129 nan 8.230 nan 0.000 0.439 390 D N 0.578 121.003 120.400 0.042 0.000 2.097 390 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 390 D C 2.048 178.351 176.300 0.005 0.000 0.989 390 D CA 1.325 55.334 54.000 0.016 0.000 0.827 390 D CB 0.156 40.965 40.800 0.014 0.000 0.966 390 D HN 0.365 nan 8.370 nan 0.000 0.456 391 E N 0.209 120.433 120.200 0.040 0.000 2.150 391 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 391 E C 2.108 178.747 176.600 0.065 0.000 0.985 391 E CA 0.791 57.235 56.400 0.074 0.000 0.814 391 E CB -0.059 29.715 29.700 0.124 0.000 0.752 391 E HN 0.233 nan 8.360 nan 0.000 0.466 392 A N 1.318 124.170 122.820 0.053 0.000 1.933 392 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 392 A C 2.535 180.151 177.584 0.053 0.000 1.175 392 A CA 1.171 53.242 52.037 0.056 0.000 0.628 392 A CB -0.669 18.366 19.000 0.059 0.000 0.814 392 A HN 0.118 nan 8.150 nan 0.000 0.444 393 V N -0.262 119.675 119.914 0.038 0.000 2.343 393 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 393 V C 3.018 179.142 176.094 0.050 0.000 1.051 393 V CA 1.960 64.285 62.300 0.041 0.000 1.036 393 V CB -1.198 30.613 31.823 -0.020 0.000 0.654 393 V HN 0.620 nan 8.190 nan 0.000 0.451 394 A N -0.844 121.950 122.820 -0.044 0.000 1.897 394 A HA -0.186 4.133 4.320 -0.000 0.000 0.215 394 A C 2.299 179.916 177.584 0.055 0.000 1.181 394 A CA 1.486 53.469 52.037 -0.090 0.000 0.620 394 A CB -0.477 18.452 19.000 -0.118 0.000 0.821 394 A HN 0.465 nan 8.150 nan 0.000 0.443 395 E N 0.286 120.526 120.200 0.067 0.000 2.070 395 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 395 E C 2.195 178.828 176.600 0.055 0.000 1.004 395 E CA 1.377 57.821 56.400 0.073 0.000 0.805 395 E CB -0.355 29.390 29.700 0.074 0.000 0.744 395 E HN 0.499 nan 8.360 nan 0.000 0.451 396 A N 0.049 122.889 122.820 0.033 0.000 2.131 396 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 396 A C 1.355 178.802 177.584 -0.230 0.000 1.158 396 A CA 1.693 53.672 52.037 -0.097 0.000 0.665 396 A CB -0.615 18.288 19.000 -0.162 0.000 0.795 396 A HN 0.295 nan 8.150 nan 0.000 0.460 397 H N -2.203 116.843 119.070 -0.041 0.000 2.652 397 H HA 0.271 4.827 4.556 -0.000 0.000 0.274 397 H C 1.373 176.794 175.328 0.154 0.000 1.021 397 H CA -0.138 55.920 56.048 0.016 0.000 1.187 397 H CB 0.248 29.892 29.762 -0.198 0.000 1.505 397 H HN 0.289 nan 8.280 nan 0.000 0.530 398 L N 0.347 121.673 121.223 0.171 0.000 2.017 398 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 398 L C 2.551 179.482 176.870 0.101 0.000 1.073 398 L CA 1.901 56.820 54.840 0.131 0.000 0.745 398 L CB -1.108 41.002 42.059 0.085 0.000 0.894 398 L HN 0.434 nan 8.230 nan 0.000 0.432 399 G N -0.800 108.042 108.800 0.071 0.000 2.491 399 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.218 399 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.218 399 G C 1.750 176.683 174.900 0.055 0.000 1.180 399 G CA 1.199 46.327 45.100 0.047 0.000 0.774 399 G HN 0.307 nan 8.290 nan 0.000 0.562 400 K N 0.330 120.786 120.400 0.093 0.000 2.113 400 K HA 0.018 4.338 4.320 -0.000 0.000 0.208 400 K C 2.331 178.947 176.600 0.027 0.000 1.047 400 K CA 1.055 57.396 56.287 0.090 0.000 0.928 400 K CB -0.462 32.167 32.500 0.216 0.000 0.716 400 K HN 0.376 nan 8.250 nan 0.000 0.446 401 L N -0.303 120.944 121.223 0.041 0.000 2.554 401 L HA 0.094 4.434 4.340 -0.000 0.000 0.226 401 L C 0.428 177.290 176.870 -0.012 0.000 1.137 401 L CA 0.458 55.279 54.840 -0.031 0.000 0.863 401 L CB -0.511 41.542 42.059 -0.009 0.000 0.985 401 L HN 0.420 nan 8.230 nan 0.000 0.451 402 N N -1.017 117.689 118.700 0.011 0.000 2.776 402 N HA -0.164 4.576 4.740 -0.000 0.000 0.250 402 N C -0.213 175.303 175.510 0.009 0.000 1.112 402 N CA -0.048 53.005 53.050 0.006 0.000 0.733 402 N CB -0.625 37.858 38.487 -0.007 0.000 1.097 402 N HN 0.002 nan 8.380 nan 0.000 0.558 403 V N 1.125 121.053 119.914 0.023 0.000 2.637 403 V HA 0.107 4.227 4.120 -0.000 0.000 0.296 403 V C 0.624 176.730 176.094 0.019 0.000 1.046 403 V CA 0.378 62.692 62.300 0.023 0.000 1.066 403 V CB 1.434 33.282 31.823 0.041 0.000 0.968 403 V HN 0.046 nan 8.190 nan 0.000 0.483 404 K N 5.272 125.679 120.400 0.011 0.000 2.404 404 K HA 0.413 4.733 4.320 -0.000 0.000 0.257 404 K C -0.797 175.804 176.600 0.001 0.000 1.026 404 K CA -0.814 55.477 56.287 0.006 0.000 0.951 404 K CB 1.676 34.177 32.500 0.001 0.000 1.203 404 K HN 0.361 nan 8.250 nan 0.000 0.446 405 L N 1.866 123.090 121.223 0.003 0.000 2.452 405 L HA 0.160 4.500 4.340 -0.000 0.000 0.267 405 L C 0.122 176.978 176.870 -0.023 0.000 1.188 405 L CA 0.711 55.543 54.840 -0.012 0.000 0.821 405 L CB 1.046 43.103 42.059 -0.004 0.000 1.102 405 L HN 0.505 nan 8.230 nan 0.000 0.470 406 T N 2.882 117.406 114.554 -0.049 0.000 2.928 406 T HA 0.411 4.761 4.350 -0.000 0.000 0.284 406 T C -0.586 174.078 174.700 -0.059 0.000 1.008 406 T CA -0.521 61.550 62.100 -0.049 0.000 1.057 406 T CB 1.194 70.028 68.868 -0.057 0.000 1.018 406 T HN 0.350 nan 8.240 nan 0.000 0.493 407 K N 2.220 122.602 120.400 -0.030 0.000 2.323 407 K HA 0.502 4.822 4.320 -0.000 0.000 0.259 407 K C -0.898 175.701 176.600 -0.003 0.000 0.947 407 K CA -0.759 55.523 56.287 -0.007 0.000 0.819 407 K CB 0.555 33.066 32.500 0.018 0.000 1.109 407 K HN 0.228 nan 8.250 nan 0.000 0.429 408 L N 2.980 124.209 121.223 0.010 0.000 2.506 408 L HA 0.122 4.462 4.340 -0.000 0.000 0.281 408 L C 0.556 177.446 176.870 0.034 0.000 1.228 408 L CA 0.732 55.587 54.840 0.025 0.000 0.850 408 L CB 0.401 42.501 42.059 0.067 0.000 1.110 408 L HN 0.887 nan 8.230 nan 0.000 0.496 409 T N -0.828 113.741 114.554 0.025 0.000 2.874 409 T HA 0.196 4.546 4.350 -0.000 0.000 0.281 409 T C 0.981 175.702 174.700 0.036 0.000 0.994 409 T CA -0.722 61.392 62.100 0.023 0.000 1.015 409 T CB 0.991 69.865 68.868 0.009 0.000 1.028 409 T HN 0.532 nan 8.240 nan 0.000 0.523 410 E N 0.426 120.645 120.200 0.032 0.000 2.160 410 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 410 E C 1.862 178.489 176.600 0.044 0.000 0.991 410 E CA 1.312 57.734 56.400 0.037 0.000 0.810 410 E CB -0.162 29.554 29.700 0.028 0.000 0.742 410 E HN 0.788 nan 8.360 nan 0.000 0.466 411 K N 0.179 120.601 120.400 0.036 0.000 2.025 411 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 411 K C 2.251 178.895 176.600 0.072 0.000 1.049 411 K CA 1.294 57.607 56.287 0.043 0.000 0.933 411 K CB 0.039 32.547 32.500 0.014 0.000 0.714 411 K HN 0.079 nan 8.250 nan 0.000 0.438 412 Q N -0.209 119.625 119.800 0.055 0.000 2.016 412 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 412 Q C 2.107 178.187 176.000 0.134 0.000 0.978 412 Q CA 1.540 57.395 55.803 0.086 0.000 0.833 412 Q CB -0.173 28.589 28.738 0.041 0.000 0.895 412 Q HN 0.401 nan 8.270 nan 0.000 0.427 413 A N 0.800 123.679 122.820 0.098 0.000 1.948 413 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 413 A C 2.039 179.677 177.584 0.090 0.000 1.177 413 A CA 1.484 53.581 52.037 0.099 0.000 0.636 413 A CB -0.447 18.604 19.000 0.085 0.000 0.815 413 A HN 0.299 nan 8.150 nan 0.000 0.449 414 Q N -1.962 117.894 119.800 0.093 0.000 2.049 414 Q HA -0.155 4.185 4.340 -0.000 0.000 0.198 414 Q C 2.020 178.081 176.000 0.101 0.000 0.971 414 Q CA 1.724 57.575 55.803 0.080 0.000 0.833 414 Q CB -0.508 28.276 28.738 0.077 0.000 0.896 414 Q HN 0.853 nan 8.270 nan 0.000 0.434 415 Y N 1.313 121.620 120.300 0.011 0.000 2.128 415 Y HA -0.197 4.353 4.550 -0.000 0.000 0.284 415 Y C 2.038 177.943 175.900 0.010 0.000 1.154 415 Y CA 1.444 59.550 58.100 0.009 0.000 1.149 415 Y CB -0.301 38.163 38.460 0.006 0.000 0.976 415 Y HN 0.009 nan 8.280 nan 0.000 0.505 416 L N -0.493 120.786 121.223 0.093 0.000 2.376 416 L HA 0.045 4.385 4.340 -0.000 0.000 0.219 416 L C 1.637 178.487 176.870 -0.033 0.000 1.133 416 L CA 0.856 55.698 54.840 0.003 0.000 0.816 416 L CB -0.850 41.263 42.059 0.090 0.000 0.933 416 L HN 0.546 nan 8.230 nan 0.000 0.449 417 G N 1.285 110.079 108.800 -0.009 0.000 2.225 417 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 417 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 417 G C 0.042 174.943 174.900 0.002 0.000 1.060 417 G CA 0.655 45.746 45.100 -0.014 0.000 0.833 417 G HN 0.414 nan 8.290 nan 0.000 0.498 418 M N -2.113 117.504 119.600 0.029 0.000 2.631 418 M HA 0.834 5.314 4.480 -0.000 0.000 0.288 418 M C -3.064 173.263 176.300 0.045 0.000 1.260 418 M CA -2.521 52.797 55.300 0.029 0.000 0.842 418 M CB 1.910 34.545 32.600 0.058 0.000 1.743 418 M HN -0.099 nan 8.290 nan 0.000 0.461 419 P HA 0.278 nan 4.420 nan 0.000 0.277 419 P C 0.740 178.090 177.300 0.083 0.000 1.240 419 P CA -0.593 62.514 63.100 0.012 0.000 0.798 419 P CB 0.641 32.312 31.700 -0.048 0.000 0.979 420 I N 0.692 121.322 120.570 0.101 0.000 2.248 420 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 420 I C 1.030 177.309 176.117 0.269 0.000 1.107 420 I CA 1.915 63.318 61.300 0.172 0.000 1.373 420 I CB -0.878 37.184 38.000 0.104 0.000 1.055 420 I HN 0.416 nan 8.210 nan 0.000 0.418 421 N N 0.224 118.979 118.700 0.092 0.000 2.516 421 N HA 0.066 4.806 4.740 -0.000 0.000 0.197 421 N C 1.201 176.467 175.510 -0.406 0.000 1.064 421 N CA 0.472 53.520 53.050 -0.003 0.000 0.866 421 N CB -0.498 37.992 38.487 0.006 0.000 1.255 421 N HN 0.222 nan 8.380 nan 0.000 0.447 422 G N 3.135 111.755 108.800 -0.300 0.000 2.614 422 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.229 422 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.229 422 G C -2.294 172.208 174.900 -0.663 0.000 1.232 422 G CA -0.405 44.487 45.100 -0.346 0.000 0.857 422 G HN 0.060 nan 8.290 nan 0.000 0.560 423 P HA -0.075 nan 4.420 nan 0.000 0.261 423 P C -0.014 177.031 177.300 -0.425 0.000 1.165 423 P CA 0.453 63.306 63.100 -0.413 0.000 0.759 423 P CB 0.171 31.771 31.700 -0.166 0.000 0.772 424 F N 1.643 121.578 119.950 -0.025 0.000 2.765 424 F HA 0.172 4.699 4.527 0.000 0.000 0.302 424 F C 1.344 177.039 175.800 -0.175 0.000 1.111 424 F CA 0.694 58.649 58.000 -0.075 0.000 1.359 424 F CB 0.010 38.976 39.000 -0.057 0.000 1.097 424 F HN 0.056 nan 8.300 nan 0.000 0.577 425 K N 0.676 121.041 120.400 -0.058 0.000 2.502 425 K HA 0.370 4.690 4.320 -0.000 0.000 0.257 425 K C -2.898 173.604 176.600 -0.165 0.000 0.938 425 K CA -1.802 54.336 56.287 -0.248 0.000 0.819 425 K CB 2.020 34.202 32.500 -0.529 0.000 1.333 425 K HN -0.276 nan 8.250 nan 0.000 0.434 426 P HA 0.077 nan 4.420 nan 0.000 0.272 426 P C -0.020 177.155 177.300 -0.209 0.000 1.230 426 P CA -0.080 62.869 63.100 -0.253 0.000 0.788 426 P CB 0.663 32.055 31.700 -0.514 0.000 0.949 427 D N -0.074 120.274 120.400 -0.087 0.000 2.221 427 D HA -0.174 4.466 4.640 -0.000 0.000 0.204 427 D C 1.576 177.889 176.300 0.022 0.000 0.982 427 D CA 1.424 55.426 54.000 0.004 0.000 0.857 427 D CB -0.366 40.469 40.800 0.059 0.000 0.934 427 D HN 0.633 nan 8.370 nan 0.000 0.475 428 H N -1.643 117.467 119.070 0.067 0.000 2.539 428 H HA -0.032 4.524 4.556 -0.000 0.000 0.267 428 H C 0.254 175.614 175.328 0.053 0.000 0.982 428 H CA -0.379 55.696 56.048 0.045 0.000 1.146 428 H CB -0.781 28.998 29.762 0.028 0.000 1.382 428 H HN 0.069 nan 8.280 nan 0.000 0.577 429 Y N 3.149 123.283 120.300 -0.277 0.000 2.620 429 Y HA 0.017 4.567 4.550 -0.000 0.000 0.330 429 Y C 1.138 176.985 175.900 -0.088 0.000 1.186 429 Y CA 0.157 58.103 58.100 -0.257 0.000 1.467 429 Y CB 0.547 38.732 38.460 -0.458 0.000 1.262 429 Y HN 0.046 nan 8.280 nan 0.000 0.550 430 R N 3.665 123.806 120.500 -0.599 0.000 2.334 430 R HA 0.095 4.435 4.340 -0.000 0.000 0.212 430 R C -0.735 175.479 176.300 -0.143 0.000 0.897 430 R CA -0.154 55.803 56.100 -0.239 0.000 1.056 430 R CB 0.028 30.210 30.300 -0.195 0.000 1.046 430 R HN 0.795 nan 8.270 nan 0.000 0.513 431 Y N 0.000 119.876 120.300 -0.707 0.000 2.660 431 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 431 Y CA 0.000 57.978 58.100 -0.203 0.000 1.940 431 Y CB 0.000 38.507 38.460 0.079 0.000 1.050 431 Y HN 0.000 nan 8.280 nan 0.000 0.758