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_D 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 0.000 176.322 176.300 0.037 0.000 2.045 2 D CA 0.000 54.005 54.000 0.009 0.000 0.868 2 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 3 K N 0.687 121.116 120.400 0.048 0.000 2.233 3 K HA 0.454 4.774 4.320 -0.000 0.000 0.239 3 K C -0.109 176.580 176.600 0.149 0.000 1.064 3 K CA -0.460 55.898 56.287 0.117 0.000 0.884 3 K CB -0.037 32.536 32.500 0.122 0.000 1.166 3 K HN 0.172 nan 8.250 nan 0.000 0.512 4 L N 0.266 121.627 121.223 0.229 0.000 2.472 4 L HA 0.081 4.421 4.340 -0.000 0.000 0.273 4 L C -1.439 175.546 176.870 0.193 0.000 1.254 4 L CA -0.474 54.463 54.840 0.162 0.000 0.823 4 L CB -0.857 41.291 42.059 0.149 0.000 1.096 4 L HN 0.551 nan 8.230 nan 0.000 0.521 5 P HA 0.022 nan 4.420 nan 0.000 0.230 5 P C -0.669 176.647 177.300 0.026 0.000 1.168 5 P CA 1.096 64.246 63.100 0.083 0.000 0.793 5 P CB 0.117 31.850 31.700 0.055 0.000 0.851 6 Y N -1.912 118.229 120.300 -0.265 0.000 2.891 6 Y HA 0.605 5.155 4.550 -0.000 0.000 0.361 6 Y C -2.052 173.626 175.900 -0.369 0.000 1.255 6 Y CA -2.146 55.431 58.100 -0.871 0.000 1.103 6 Y CB 0.170 38.313 38.460 -0.528 0.000 1.454 6 Y HN -0.167 nan 8.280 nan 0.000 0.449 7 K N 0.896 121.311 120.400 0.024 0.000 2.587 7 K HA 0.674 4.993 4.320 -0.000 0.000 0.256 7 K C -1.802 175.024 176.600 0.376 0.000 0.974 7 K CA -0.185 56.241 56.287 0.232 0.000 0.855 7 K CB 1.894 34.583 32.500 0.314 0.000 1.292 7 K HN 1.413 nan 8.250 nan 0.000 0.444 8 V N -1.062 119.048 119.914 0.328 0.000 3.119 8 V HA 0.883 5.002 4.120 -0.000 0.000 0.311 8 V C 0.839 177.020 176.094 0.146 0.000 1.259 8 V CA -0.253 62.222 62.300 0.293 0.000 1.067 8 V CB 1.341 33.279 31.823 0.192 0.000 1.123 8 V HN 0.810 nan 8.190 nan 0.000 0.463 9 A N -0.158 122.766 122.820 0.173 0.000 1.898 9 A HA 0.258 4.577 4.320 -0.000 0.000 0.214 9 A C 0.790 178.396 177.584 0.036 0.000 1.183 9 A CA 1.930 53.996 52.037 0.050 0.000 0.622 9 A CB -0.487 18.609 19.000 0.160 0.000 0.824 9 A HN 1.178 nan 8.150 nan 0.000 0.444 10 D N -2.303 118.147 120.400 0.084 0.000 2.688 10 D HA 0.181 4.821 4.640 -0.000 0.000 0.210 10 D C -0.345 176.006 176.300 0.086 0.000 1.333 10 D CA -0.525 53.520 54.000 0.075 0.000 0.920 10 D CB 0.518 41.364 40.800 0.076 0.000 1.554 10 D HN -0.019 nan 8.370 nan 0.000 0.579 11 I N 2.741 123.361 120.570 0.083 0.000 3.444 11 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 11 I C 1.842 177.992 176.117 0.056 0.000 1.302 11 I CA 0.835 62.169 61.300 0.055 0.000 1.368 11 I CB 0.275 38.320 38.000 0.075 0.000 1.048 11 I HN 0.556 nan 8.210 nan 0.000 0.487 12 G N 0.128 108.972 108.800 0.073 0.000 2.598 12 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.215 12 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.215 12 G C 1.259 176.228 174.900 0.115 0.000 1.131 12 G CA 0.127 45.274 45.100 0.078 0.000 0.785 12 G HN 0.287 nan 8.290 nan 0.000 0.539 13 L N 0.881 122.187 121.223 0.138 0.000 2.492 13 L HA 0.328 4.668 4.340 -0.000 0.000 0.223 13 L C 2.918 179.892 176.870 0.173 0.000 1.132 13 L CA 0.503 55.476 54.840 0.222 0.000 0.850 13 L CB -0.709 41.489 42.059 0.233 0.000 0.966 13 L HN 0.247 nan 8.230 nan 0.000 0.454 14 A N 0.184 123.052 122.820 0.080 0.000 1.903 14 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 14 A C 2.564 180.174 177.584 0.043 0.000 1.191 14 A CA 2.151 54.199 52.037 0.018 0.000 0.638 14 A CB -0.795 18.195 19.000 -0.016 0.000 0.823 14 A HN 0.392 nan 8.150 nan 0.000 0.451 15 A N -1.544 121.331 122.820 0.092 0.000 1.865 15 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 15 A C 2.017 179.710 177.584 0.183 0.000 1.191 15 A CA 1.940 54.042 52.037 0.109 0.000 0.623 15 A CB -1.048 18.018 19.000 0.110 0.000 0.826 15 A HN 0.961 nan 8.150 nan 0.000 0.444 16 W N 0.904 122.228 121.300 0.041 0.000 2.358 16 W HA -0.038 4.622 4.660 -0.001 0.000 0.303 16 W C 2.187 178.744 176.519 0.062 0.000 1.208 16 W CA 1.521 58.910 57.345 0.074 0.000 1.274 16 W CB -0.966 28.563 29.460 0.116 0.000 1.138 16 W HN 0.240 nan 8.180 nan 0.000 0.515 17 G N 0.480 109.207 108.800 -0.122 0.000 2.442 17 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.219 17 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.219 17 G C 1.590 176.301 174.900 -0.315 0.000 1.141 17 G CA 1.300 46.110 45.100 -0.484 0.000 0.763 17 G HN 0.232 nan 8.290 nan 0.000 0.554 18 R N 1.050 121.473 120.500 -0.128 0.000 2.092 18 R HA 0.060 4.399 4.340 -0.000 0.000 0.231 18 R C 2.410 178.679 176.300 -0.051 0.000 1.119 18 R CA 1.330 57.379 56.100 -0.086 0.000 0.970 18 R CB -0.390 29.890 30.300 -0.035 0.000 0.864 18 R HN 0.346 nan 8.270 nan 0.000 0.440 19 K N -0.330 120.076 120.400 0.010 0.000 2.097 19 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 19 K C 2.044 178.655 176.600 0.018 0.000 1.050 19 K CA 1.271 57.593 56.287 0.057 0.000 0.938 19 K CB -0.199 32.401 32.500 0.166 0.000 0.718 19 K HN 0.217 nan 8.250 nan 0.000 0.442 20 A N 1.562 124.346 122.820 -0.059 0.000 1.902 20 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 20 A C 2.126 179.646 177.584 -0.107 0.000 1.181 20 A CA 1.268 53.242 52.037 -0.105 0.000 0.623 20 A CB -0.530 18.271 19.000 -0.332 0.000 0.818 20 A HN 0.106 nan 8.150 nan 0.000 0.443 21 L N 0.081 121.213 121.223 -0.151 0.000 2.131 21 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 21 L C 1.885 178.721 176.870 -0.057 0.000 1.092 21 L CA 1.916 56.687 54.840 -0.115 0.000 0.759 21 L CB -0.567 41.411 42.059 -0.136 0.000 0.903 21 L HN 0.327 nan 8.230 nan 0.000 0.435 22 D N -0.602 119.775 120.400 -0.038 0.000 2.097 22 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 22 D C 2.335 178.638 176.300 0.005 0.000 0.989 22 D CA 1.384 55.378 54.000 -0.011 0.000 0.827 22 D CB -0.102 40.699 40.800 0.002 0.000 0.966 22 D HN 0.270 nan 8.370 nan 0.000 0.456 23 I N 1.151 121.730 120.570 0.015 0.000 2.252 23 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 23 I C 2.456 178.593 176.117 0.034 0.000 1.102 23 I CA 0.961 62.280 61.300 0.032 0.000 1.385 23 I CB -0.213 37.816 38.000 0.048 0.000 1.064 23 I HN -0.093 nan 8.210 nan 0.000 0.414 24 A N 0.445 123.277 122.820 0.020 0.000 1.892 24 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 24 A C 2.235 179.842 177.584 0.039 0.000 1.188 24 A CA 2.099 54.154 52.037 0.030 0.000 0.631 24 A CB -0.766 18.235 19.000 0.001 0.000 0.822 24 A HN 0.462 nan 8.150 nan 0.000 0.447 25 E N -0.613 119.598 120.200 0.018 0.000 2.097 25 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 25 E C 1.827 178.447 176.600 0.032 0.000 1.000 25 E CA 1.276 57.686 56.400 0.017 0.000 0.804 25 E CB -0.292 29.408 29.700 -0.001 0.000 0.740 25 E HN 0.760 nan 8.360 nan 0.000 0.454 26 N N 0.028 118.750 118.700 0.037 0.000 2.573 26 N HA -0.129 4.611 4.740 -0.000 0.000 0.187 26 N C 1.124 176.684 175.510 0.083 0.000 1.107 26 N CA 0.271 53.349 53.050 0.047 0.000 0.918 26 N CB 0.302 38.812 38.487 0.038 0.000 0.966 26 N HN 0.073 nan 8.380 nan 0.000 0.448 27 E N -0.256 120.009 120.200 0.108 0.000 2.489 27 E HA 0.121 4.470 4.350 -0.000 0.000 0.204 27 E C -0.225 176.517 176.600 0.236 0.000 1.006 27 E CA 0.236 56.753 56.400 0.195 0.000 0.936 27 E CB 0.592 30.397 29.700 0.175 0.000 1.002 27 E HN 0.432 nan 8.360 nan 0.000 0.488 28 M N 0.967 120.636 119.600 0.116 0.000 2.386 28 M HA 0.283 4.763 4.480 -0.000 0.000 0.245 28 M C -2.186 174.096 176.300 -0.030 0.000 0.982 28 M CA -1.712 53.620 55.300 0.053 0.000 0.860 28 M CB 1.337 33.977 32.600 0.066 0.000 1.371 28 M HN -0.289 nan 8.290 nan 0.000 0.425 29 P HA -0.104 nan 4.420 nan 0.000 0.216 29 P C 1.627 178.743 177.300 -0.307 0.000 1.150 29 P CA 1.453 64.432 63.100 -0.202 0.000 0.837 29 P CB 0.140 31.706 31.700 -0.223 0.000 0.786 30 G N 0.059 108.544 108.800 -0.525 0.000 2.459 30 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.217 30 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.217 30 G C 1.545 176.402 174.900 -0.071 0.000 1.183 30 G CA 0.541 45.453 45.100 -0.313 0.000 0.776 30 G HN 0.218 nan 8.290 nan 0.000 0.552 31 L N -0.129 121.087 121.223 -0.012 0.000 2.046 31 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 31 L C 3.086 179.960 176.870 0.008 0.000 1.077 31 L CA 0.804 55.663 54.840 0.030 0.000 0.747 31 L CB -0.323 41.769 42.059 0.055 0.000 0.896 31 L HN 0.173 nan 8.230 nan 0.000 0.432 32 M N -0.648 118.941 119.600 -0.018 0.000 2.159 32 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 32 M C 2.305 178.590 176.300 -0.025 0.000 1.063 32 M CA 1.562 56.850 55.300 -0.020 0.000 1.110 32 M CB -1.286 31.299 32.600 -0.026 0.000 1.374 32 M HN 0.148 nan 8.290 nan 0.000 0.411 33 R N 0.008 120.482 120.500 -0.043 0.000 2.115 33 R HA -0.044 4.296 4.340 -0.000 0.000 0.230 33 R C 1.994 178.286 176.300 -0.013 0.000 1.111 33 R CA 1.146 57.218 56.100 -0.046 0.000 0.976 33 R CB -0.069 30.190 30.300 -0.068 0.000 0.870 33 R HN 0.123 nan 8.270 nan 0.000 0.445 34 M N 0.121 119.751 119.600 0.050 0.000 2.159 34 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 34 M C 2.120 178.518 176.300 0.164 0.000 1.063 34 M CA 1.587 56.995 55.300 0.181 0.000 1.110 34 M CB -0.762 31.941 32.600 0.172 0.000 1.374 34 M HN 0.175 nan 8.290 nan 0.000 0.411 35 R N -0.015 120.527 120.500 0.069 0.000 2.066 35 R HA -0.121 4.218 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 1.350 57.477 56.100 0.044 0.000 0.955 35 R CB -0.139 30.169 30.300 0.014 0.000 0.851 35 R HN 0.461 nan 8.270 nan 0.000 0.432 36 E N 0.073 120.254 120.200 -0.032 0.000 2.070 36 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 36 E C 1.977 178.503 176.600 -0.124 0.000 1.004 36 E CA 1.957 58.318 56.400 -0.065 0.000 0.805 36 E CB -0.049 29.610 29.700 -0.069 0.000 0.744 36 E HN 0.346 nan 8.360 nan 0.000 0.451 37 M N -1.064 118.396 119.600 -0.232 0.000 2.236 37 M HA -0.071 4.409 4.480 -0.000 0.000 0.266 37 M C 1.071 177.028 176.300 -0.571 0.000 1.070 37 M CA 1.161 56.167 55.300 -0.488 0.000 1.137 37 M CB 0.158 32.275 32.600 -0.805 0.000 1.378 37 M HN 0.092 nan 8.290 nan 0.000 0.426 38 Y N -1.069 119.235 120.300 0.007 0.000 2.467 38 Y HA 0.307 4.857 4.550 0.000 0.000 0.250 38 Y C 2.321 178.225 175.900 0.007 0.000 1.155 38 Y CA -0.228 57.879 58.100 0.011 0.000 1.249 38 Y CB -0.328 38.142 38.460 0.015 0.000 1.146 38 Y HN 0.079 nan 8.280 nan 0.000 0.524 39 S N 0.531 116.287 115.700 0.093 0.000 2.370 39 S HA -0.258 4.212 4.470 -0.000 0.000 0.226 39 S C 2.352 176.983 174.600 0.052 0.000 1.033 39 S CA 1.530 59.766 58.200 0.060 0.000 1.011 39 S CB -0.346 62.868 63.200 0.024 0.000 0.852 39 S HN 0.580 nan 8.310 nan 0.000 0.457 40 A N 1.265 124.109 122.820 0.038 0.000 1.854 40 A HA -0.043 4.276 4.320 -0.000 0.000 0.214 40 A C 2.296 179.913 177.584 0.055 0.000 1.192 40 A CA 1.827 53.884 52.037 0.034 0.000 0.611 40 A CB -0.977 18.031 19.000 0.014 0.000 0.832 40 A HN 0.511 nan 8.150 nan 0.000 0.442 41 S N 0.190 115.940 115.700 0.083 0.000 2.419 41 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 41 S C 0.521 175.182 174.600 0.103 0.000 1.016 41 S CA 0.992 59.255 58.200 0.105 0.000 0.974 41 S CB -0.285 63.015 63.200 0.166 0.000 0.786 41 S HN 0.529 nan 8.310 nan 0.000 0.492 42 K N 0.198 120.663 120.400 0.109 0.000 3.257 42 K HA -0.129 4.191 4.320 -0.000 0.000 0.270 42 K C -2.224 174.426 176.600 0.083 0.000 0.984 42 K CA 0.801 57.137 56.287 0.081 0.000 0.739 42 K CB -1.740 30.796 32.500 0.059 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 1.054 178.433 177.300 0.132 0.000 1.145 43 P CA 1.031 64.167 63.100 0.059 0.000 0.795 43 P CB 0.146 31.810 31.700 -0.059 0.000 0.775 44 L N -0.872 120.386 121.223 0.057 0.000 2.653 44 L HA 0.141 4.480 4.340 -0.000 0.000 0.231 44 L C 1.108 177.927 176.870 -0.086 0.000 1.153 44 L CA -0.530 54.284 54.840 -0.045 0.000 0.933 44 L CB -0.534 41.431 42.059 -0.156 0.000 1.175 44 L HN -0.052 nan 8.230 nan 0.000 0.473 45 K N 0.846 121.292 120.400 0.077 0.000 2.451 45 K HA 0.254 4.574 4.320 -0.000 0.000 0.280 45 K C 1.065 177.765 176.600 0.166 0.000 1.020 45 K CA 1.020 57.352 56.287 0.074 0.000 1.008 45 K CB 0.598 33.154 32.500 0.092 0.000 0.917 45 K HN 0.149 nan 8.250 nan 0.000 0.478 46 G N 1.372 110.200 108.800 0.047 0.000 2.175 46 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 46 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 46 G C 0.155 174.953 174.900 -0.171 0.000 0.982 46 G CA -0.016 45.154 45.100 0.117 0.000 0.641 46 G HN 1.054 nan 8.290 nan 0.000 0.527 47 A N 0.227 122.651 122.820 -0.660 0.000 2.310 47 A HA 0.815 5.135 4.320 -0.000 0.000 0.299 47 A C 0.541 177.687 177.584 -0.730 0.000 1.147 47 A CA -0.331 50.943 52.037 -1.272 0.000 0.818 47 A CB 0.534 18.557 19.000 -1.628 0.000 1.096 47 A HN 0.409 nan 8.150 nan 0.000 0.495 48 R N 2.550 122.567 120.500 -0.806 0.000 2.363 48 R HA 0.323 4.663 4.340 -0.000 0.000 0.297 48 R C -1.373 174.419 176.300 -0.846 0.000 1.208 48 R CA -0.157 55.304 56.100 -1.064 0.000 1.121 48 R CB 0.872 30.225 30.300 -1.579 0.000 1.124 48 R HN 0.689 nan 8.270 nan 0.000 0.561 49 I N 2.239 122.592 120.570 -0.362 0.000 2.337 49 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 49 I C 0.569 176.751 176.117 0.109 0.000 1.046 49 I CA -0.174 61.043 61.300 -0.138 0.000 1.324 49 I CB 1.361 39.316 38.000 -0.075 0.000 1.409 49 I HN 0.456 nan 8.210 nan 0.000 0.494 50 A N 5.664 128.485 122.820 0.000 0.000 2.252 50 A HA 0.701 5.020 4.320 -0.000 0.000 0.309 50 A C 0.335 177.692 177.584 -0.377 0.000 1.285 50 A CA -0.350 51.652 52.037 -0.058 0.000 0.900 50 A CB 0.326 19.284 19.000 -0.070 0.000 1.157 50 A HN 0.814 nan 8.150 nan 0.000 0.536 51 G N -0.048 108.301 108.800 -0.750 0.000 2.416 51 G HA2 0.484 4.444 3.960 -0.000 0.000 0.329 51 G HA3 0.484 4.444 3.960 -0.000 0.000 0.329 51 G C -0.851 173.183 174.900 -1.443 0.000 1.173 51 G CA -0.358 43.804 45.100 -1.563 0.000 0.929 51 G HN 1.056 nan 8.290 nan 0.000 0.475 52 C N 4.036 122.763 119.300 -0.955 0.000 2.534 52 C HA 0.801 5.261 4.460 -0.000 0.000 0.309 52 C C -0.702 174.081 174.990 -0.345 0.000 1.072 52 C CA -0.634 58.034 59.018 -0.584 0.000 1.441 52 C CB -1.536 25.982 27.740 -0.370 0.000 1.906 52 C HN 0.729 nan 8.230 nan 0.000 0.429 53 L N 6.361 127.490 121.223 -0.157 0.000 2.549 53 L HA 0.490 4.830 4.340 -0.000 0.000 0.259 53 L C -0.408 176.621 176.870 0.265 0.000 0.934 53 L CA -0.394 54.516 54.840 0.117 0.000 0.865 53 L CB 1.625 43.903 42.059 0.366 0.000 1.352 53 L HN 0.674 nan 8.230 nan 0.000 0.410 54 H N 3.818 123.025 119.070 0.228 0.000 3.193 54 H HA -0.125 4.431 4.556 -0.000 0.000 0.306 54 H C -0.021 175.434 175.328 0.212 0.000 0.960 54 H CA 0.375 56.543 56.048 0.200 0.000 1.375 54 H CB 0.446 30.297 29.762 0.148 0.000 1.321 54 H HN 0.411 nan 8.280 nan 0.000 0.578 55 M N 4.572 124.337 119.600 0.275 0.000 2.664 55 M HA 0.090 4.570 4.480 -0.000 0.000 0.332 55 M C -0.232 176.134 176.300 0.111 0.000 1.354 55 M CA -0.219 55.178 55.300 0.162 0.000 1.399 55 M CB -0.376 32.324 32.600 0.166 0.000 1.224 55 M HN 0.669 nan 8.290 nan 0.000 0.479 56 T N -0.449 114.156 114.554 0.084 0.000 2.905 56 T HA 0.510 4.860 4.350 -0.000 0.000 0.283 56 T C 0.967 175.655 174.700 -0.019 0.000 1.031 56 T CA -0.934 61.206 62.100 0.067 0.000 1.002 56 T CB 0.824 69.758 68.868 0.109 0.000 1.200 56 T HN 0.139 nan 8.240 nan 0.000 0.560 57 V N 1.072 120.962 119.914 -0.040 0.000 2.392 57 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 57 V C 2.609 178.676 176.094 -0.044 0.000 1.059 57 V CA 2.153 64.383 62.300 -0.116 0.000 1.051 57 V CB -1.132 30.615 31.823 -0.126 0.000 0.658 57 V HN 0.866 nan 8.190 nan 0.000 0.455 58 E N -0.267 119.972 120.200 0.066 0.000 2.107 58 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 58 E C 2.250 178.966 176.600 0.193 0.000 0.982 58 E CA 1.429 57.949 56.400 0.200 0.000 0.809 58 E CB -0.553 29.325 29.700 0.297 0.000 0.756 58 E HN 0.486 nan 8.360 nan 0.000 0.459 59 T N 0.263 114.854 114.554 0.062 0.000 2.995 59 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 59 T C 1.783 176.190 174.700 -0.489 0.000 1.091 59 T CA 0.929 62.833 62.100 -0.326 0.000 1.128 59 T CB -0.135 68.613 68.868 -0.200 0.000 0.891 59 T HN 0.263 nan 8.240 nan 0.000 0.492 60 A N 0.792 123.428 122.820 -0.307 0.000 1.897 60 A HA 0.033 4.353 4.320 -0.000 0.000 0.215 60 A C 2.458 179.876 177.584 -0.277 0.000 1.181 60 A CA 0.908 52.752 52.037 -0.321 0.000 0.620 60 A CB -0.704 18.151 19.000 -0.242 0.000 0.821 60 A HN 0.361 nan 8.150 nan 0.000 0.443 61 V N -0.053 119.750 119.914 -0.185 0.000 2.515 61 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 61 V C 2.446 178.440 176.094 -0.167 0.000 1.058 61 V CA 1.722 63.947 62.300 -0.125 0.000 1.064 61 V CB -0.624 31.180 31.823 -0.031 0.000 0.675 61 V HN 0.613 nan 8.190 nan 0.000 0.461 62 L N 0.229 121.283 121.223 -0.283 0.000 2.005 62 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 62 L C 2.179 178.815 176.870 -0.390 0.000 1.072 62 L CA 1.865 56.477 54.840 -0.381 0.000 0.744 62 L CB -0.549 41.024 42.059 -0.810 0.000 0.895 62 L HN 0.197 nan 8.230 nan 0.000 0.433 63 I N 0.003 120.230 120.570 -0.571 0.000 2.118 63 I HA -0.326 3.843 4.170 -0.000 0.000 0.241 63 I C 2.422 178.376 176.117 -0.272 0.000 1.070 63 I CA 1.839 62.815 61.300 -0.539 0.000 1.327 63 I CB -0.512 37.083 38.000 -0.676 0.000 1.034 63 I HN 0.383 nan 8.210 nan 0.000 0.405 64 E N -0.069 119.993 120.200 -0.230 0.000 2.265 64 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 64 E C 2.072 178.613 176.600 -0.099 0.000 0.996 64 E CA 1.528 57.843 56.400 -0.141 0.000 0.832 64 E CB -0.155 29.470 29.700 -0.126 0.000 0.756 64 E HN 0.546 nan 8.360 nan 0.000 0.491 65 T N 1.404 115.894 114.554 -0.106 0.000 2.896 65 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 65 T C 2.014 176.686 174.700 -0.046 0.000 1.050 65 T CA 0.388 62.454 62.100 -0.056 0.000 1.140 65 T CB -0.023 68.820 68.868 -0.043 0.000 0.877 65 T HN 0.086 nan 8.240 nan 0.000 0.457 66 L N 0.847 122.026 121.223 -0.074 0.000 2.046 66 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 66 L C 2.620 179.462 176.870 -0.047 0.000 1.077 66 L CA 0.948 55.754 54.840 -0.057 0.000 0.747 66 L CB -0.721 41.310 42.059 -0.047 0.000 0.896 66 L HN 0.152 nan 8.230 nan 0.000 0.432 67 V N 0.143 120.028 119.914 -0.049 0.000 2.358 67 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 67 V C 2.700 178.782 176.094 -0.021 0.000 1.047 67 V CA 1.711 63.992 62.300 -0.033 0.000 1.035 67 V CB -0.798 31.003 31.823 -0.038 0.000 0.658 67 V HN 0.477 nan 8.190 nan 0.000 0.452 68 A N -0.639 122.169 122.820 -0.020 0.000 2.125 68 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 68 A C 1.801 179.396 177.584 0.019 0.000 1.156 68 A CA 1.337 53.373 52.037 -0.001 0.000 0.671 68 A CB -0.379 18.620 19.000 -0.001 0.000 0.794 68 A HN 0.452 nan 8.150 nan 0.000 0.459 69 L N -1.210 120.021 121.223 0.014 0.000 2.653 69 L HA 0.323 4.662 4.340 -0.000 0.000 0.231 69 L C 1.579 178.454 176.870 0.010 0.000 1.153 69 L CA 0.957 55.816 54.840 0.031 0.000 0.933 69 L CB -0.193 41.876 42.059 0.017 0.000 1.175 69 L HN 0.549 nan 8.230 nan 0.000 0.473 70 G N -1.309 107.490 108.800 -0.001 0.000 2.157 70 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 70 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 70 G C 0.559 175.429 174.900 -0.050 0.000 0.979 70 G CA 0.147 45.242 45.100 -0.008 0.000 0.650 70 G HN 0.642 nan 8.290 nan 0.000 0.529 71 A N -0.460 122.314 122.820 -0.077 0.000 2.272 71 A HA 0.753 5.072 4.320 -0.000 0.000 0.275 71 A C 0.272 177.817 177.584 -0.064 0.000 1.096 71 A CA 0.026 51.982 52.037 -0.134 0.000 0.822 71 A CB 0.636 19.547 19.000 -0.149 0.000 1.088 71 A HN 0.396 nan 8.150 nan 0.000 0.495 72 E N -0.385 119.775 120.200 -0.066 0.000 2.218 72 E HA 0.472 4.822 4.350 -0.000 0.000 0.263 72 E C -1.237 175.526 176.600 0.270 0.000 0.879 72 E CA -0.482 55.973 56.400 0.092 0.000 0.762 72 E CB 1.866 31.625 29.700 0.099 0.000 1.166 72 E HN 0.654 nan 8.360 nan 0.000 0.415 73 V N 1.458 121.556 119.914 0.306 0.000 3.001 73 V HA 0.725 4.845 4.120 -0.000 0.000 0.314 73 V C -1.188 175.040 176.094 0.224 0.000 1.099 73 V CA -0.812 61.712 62.300 0.373 0.000 0.989 73 V CB 2.145 34.167 31.823 0.332 0.000 1.040 73 V HN 0.626 nan 8.190 nan 0.000 0.434 74 R N 3.514 124.111 120.500 0.161 0.000 2.502 74 R HA 0.391 4.731 4.340 -0.000 0.000 0.298 74 R C -1.356 175.037 176.300 0.156 0.000 1.018 74 R CA -0.390 55.723 56.100 0.021 0.000 0.899 74 R CB 1.940 32.004 30.300 -0.394 0.000 1.181 74 R HN 0.889 nan 8.270 nan 0.000 0.444 75 W N 1.706 123.028 121.300 0.036 0.000 2.481 75 W HA 0.514 5.174 4.660 -0.000 0.000 0.369 75 W C -0.115 176.434 176.519 0.050 0.000 1.235 75 W CA -0.111 57.241 57.345 0.011 0.000 1.344 75 W CB 2.241 31.692 29.460 -0.016 0.000 1.360 75 W HN 0.608 nan 8.180 nan 0.000 0.658 76 S N 0.566 116.286 115.700 0.034 0.000 2.565 76 S HA 0.259 4.728 4.470 -0.000 0.000 0.274 76 S C -1.090 173.509 174.600 -0.002 0.000 1.144 76 S CA -0.793 57.411 58.200 0.007 0.000 0.849 76 S CB 1.463 64.539 63.200 -0.207 0.000 1.103 76 S HN 0.346 nan 8.310 nan 0.000 0.455 77 S N -0.356 115.360 115.700 0.026 0.000 2.652 77 S HA 0.477 4.946 4.470 -0.000 0.000 0.270 77 S C 1.152 175.734 174.600 -0.030 0.000 1.243 77 S CA -0.167 58.065 58.200 0.054 0.000 0.999 77 S CB 0.284 63.544 63.200 0.100 0.000 0.973 77 S HN 1.511 nan 8.310 nan 0.000 0.544 78 C N 1.868 121.137 119.300 -0.051 0.000 2.974 78 C HA 0.556 5.015 4.460 -0.000 0.000 0.282 78 C C 0.351 175.450 174.990 0.181 0.000 1.292 78 C CA -0.974 58.089 59.018 0.075 0.000 1.710 78 C CB -1.888 25.778 27.740 -0.124 0.000 2.036 78 C HN 0.685 nan 8.230 nan 0.000 0.629 79 N N 1.145 119.941 118.700 0.159 0.000 2.287 79 N HA 0.359 5.099 4.740 -0.000 0.000 0.289 79 N C 0.521 176.060 175.510 0.049 0.000 1.066 79 N CA -0.322 52.768 53.050 0.066 0.000 0.841 79 N CB 1.810 40.420 38.487 0.204 0.000 1.599 79 N HN 0.427 nan 8.380 nan 0.000 0.476 80 I N -0.717 119.739 120.570 -0.190 0.000 3.111 80 I HA 0.069 4.238 4.170 -0.000 0.000 0.272 80 I C -0.035 176.022 176.117 -0.100 0.000 1.268 80 I CA 0.913 62.070 61.300 -0.239 0.000 1.467 80 I CB -0.144 37.572 38.000 -0.472 0.000 1.087 80 I HN 0.229 nan 8.210 nan 0.000 0.467 81 F N 1.326 121.314 119.950 0.063 0.000 2.740 81 F HA 0.174 4.701 4.527 -0.000 0.000 0.304 81 F C 2.742 178.610 175.800 0.114 0.000 1.098 81 F CA 0.156 58.207 58.000 0.085 0.000 1.258 81 F CB -0.648 38.403 39.000 0.084 0.000 1.061 81 F HN 0.145 nan 8.300 nan 0.000 0.598 82 S N -0.810 115.087 115.700 0.329 0.000 2.474 82 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 82 S C 0.992 175.738 174.600 0.245 0.000 0.997 82 S CA 0.501 58.880 58.200 0.299 0.000 0.949 82 S CB -1.230 62.259 63.200 0.482 0.000 0.766 82 S HN 0.155 nan 8.310 nan 0.000 0.517 83 T N 2.523 117.208 114.554 0.218 0.000 2.940 83 T HA 0.159 4.509 4.350 -0.000 0.000 0.309 83 T C -0.232 174.573 174.700 0.176 0.000 1.056 83 T CA 0.208 62.421 62.100 0.189 0.000 1.137 83 T CB 0.668 69.637 68.868 0.168 0.000 0.976 83 T HN 0.400 nan 8.240 nan 0.000 0.547 84 Q N 1.712 121.608 119.800 0.161 0.000 2.462 84 Q HA 0.171 4.510 4.340 -0.000 0.000 0.247 84 Q C 0.417 176.536 176.000 0.198 0.000 1.044 84 Q CA -0.466 55.438 55.803 0.167 0.000 0.803 84 Q CB 0.825 29.680 28.738 0.195 0.000 1.190 84 Q HN 0.531 nan 8.270 nan 0.000 0.507 85 D N 1.043 121.547 120.400 0.174 0.000 2.158 85 D HA -0.233 4.407 4.640 -0.000 0.000 0.197 85 D C 1.553 177.955 176.300 0.170 0.000 0.995 85 D CA 1.497 55.603 54.000 0.176 0.000 0.846 85 D CB 0.223 41.129 40.800 0.176 0.000 0.941 85 D HN 0.687 nan 8.370 nan 0.000 0.456 86 H N 0.046 119.040 119.070 -0.128 0.000 2.462 86 H HA 0.231 4.787 4.556 -0.000 0.000 0.292 86 H C 1.842 177.038 175.328 -0.220 0.000 1.049 86 H CA 1.131 57.047 56.048 -0.220 0.000 1.334 86 H CB -0.797 28.583 29.762 -0.638 0.000 1.404 86 H HN 0.076 nan 8.280 nan 0.000 0.544 87 A N 1.610 124.296 122.820 -0.224 0.000 1.897 87 A HA 0.171 4.491 4.320 -0.000 0.000 0.215 87 A C 2.741 180.226 177.584 -0.165 0.000 1.181 87 A CA 1.704 53.542 52.037 -0.332 0.000 0.620 87 A CB -1.039 17.804 19.000 -0.262 0.000 0.821 87 A HN 0.582 nan 8.150 nan 0.000 0.443 88 A N 0.040 122.827 122.820 -0.055 0.000 1.902 88 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 88 A C 2.495 180.024 177.584 -0.092 0.000 1.181 88 A CA 2.065 54.078 52.037 -0.039 0.000 0.623 88 A CB -1.015 18.024 19.000 0.065 0.000 0.818 88 A HN 1.015 nan 8.150 nan 0.000 0.443 89 A N 0.005 122.787 122.820 -0.063 0.000 1.883 89 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 89 A C 2.539 180.034 177.584 -0.148 0.000 1.186 89 A CA 2.322 54.303 52.037 -0.094 0.000 0.624 89 A CB -1.145 17.849 19.000 -0.009 0.000 0.822 89 A HN 1.120 nan 8.150 nan 0.000 0.444 90 A N -0.270 122.466 122.820 -0.140 0.000 1.908 90 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 90 A C 2.034 179.518 177.584 -0.168 0.000 1.181 90 A CA 1.767 53.716 52.037 -0.146 0.000 0.627 90 A CB -0.498 18.400 19.000 -0.169 0.000 0.818 90 A HN 0.408 nan 8.150 nan 0.000 0.445 91 I N -0.159 120.298 120.570 -0.188 0.000 2.202 91 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 91 I C 2.950 178.931 176.117 -0.227 0.000 1.091 91 I CA 1.304 62.488 61.300 -0.194 0.000 1.368 91 I CB -1.585 36.296 38.000 -0.199 0.000 1.058 91 I HN 0.366 nan 8.210 nan 0.000 0.410 92 A N 0.801 123.430 122.820 -0.318 0.000 1.858 92 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 92 A C 2.386 179.671 177.584 -0.498 0.000 1.190 92 A CA 2.162 53.853 52.037 -0.576 0.000 0.617 92 A CB -0.675 17.745 19.000 -0.967 0.000 0.827 92 A HN 0.407 nan 8.150 nan 0.000 0.443 93 K N -0.031 120.157 120.400 -0.354 0.000 2.280 93 K HA 0.033 4.352 4.320 -0.000 0.000 0.202 93 K C 1.557 178.077 176.600 -0.133 0.000 1.047 93 K CA 1.216 57.380 56.287 -0.205 0.000 0.942 93 K CB -0.296 32.127 32.500 -0.128 0.000 0.739 93 K HN 0.342 nan 8.250 nan 0.000 0.457 94 A N -0.093 122.642 122.820 -0.142 0.000 2.238 94 A HA 0.245 4.565 4.320 -0.000 0.000 0.208 94 A C 1.468 179.007 177.584 -0.075 0.000 1.177 94 A CA 0.650 52.629 52.037 -0.097 0.000 0.804 94 A CB -0.464 18.474 19.000 -0.104 0.000 0.823 94 A HN 0.573 nan 8.150 nan 0.000 0.482 95 G N -1.232 107.517 108.800 -0.085 0.000 2.176 95 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.232 95 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.232 95 G C 0.075 174.957 174.900 -0.029 0.000 0.986 95 G CA 0.108 45.187 45.100 -0.036 0.000 0.643 95 G HN 0.426 nan 8.290 nan 0.000 0.522 96 I N 3.269 123.799 120.570 -0.067 0.000 2.352 96 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 96 I C -1.715 174.376 176.117 -0.043 0.000 1.036 96 I CA -2.308 58.968 61.300 -0.040 0.000 1.336 96 I CB 1.307 39.269 38.000 -0.063 0.000 1.407 96 I HN -0.117 nan 8.210 nan 0.000 0.497 97 P HA 0.030 nan 4.420 nan 0.000 0.271 97 P C -0.519 176.796 177.300 0.026 0.000 1.380 97 P CA 0.146 63.261 63.100 0.026 0.000 0.992 97 P CB 0.755 32.577 31.700 0.203 0.000 1.230 98 V N 5.501 125.314 119.914 -0.168 0.000 2.435 98 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 98 V C -1.151 174.829 176.094 -0.190 0.000 1.030 98 V CA -0.834 61.463 62.300 -0.005 0.000 0.881 98 V CB 0.631 32.452 31.823 -0.004 0.000 0.983 98 V HN 0.212 nan 8.190 nan 0.000 0.445 99 F N 6.498 126.557 119.950 0.182 0.000 2.453 99 F HA 0.854 5.381 4.527 -0.000 0.000 0.358 99 F C 0.325 176.264 175.800 0.231 0.000 1.129 99 F CA 0.089 58.242 58.000 0.254 0.000 1.200 99 F CB 1.370 40.439 39.000 0.116 0.000 1.431 99 F HN 0.805 nan 8.300 nan 0.000 0.503 100 A N 2.408 125.466 122.820 0.396 0.000 2.599 100 A HA 0.796 5.116 4.320 -0.000 0.000 0.294 100 A C -2.191 175.626 177.584 0.388 0.000 1.055 100 A CA -0.778 51.403 52.037 0.239 0.000 0.683 100 A CB 1.152 20.245 19.000 0.155 0.000 1.278 100 A HN 0.729 nan 8.150 nan 0.000 0.412 101 W N 0.901 122.316 121.300 0.191 0.000 3.153 101 W HA 0.683 5.343 4.660 -0.000 0.000 0.316 101 W C -1.027 175.606 176.519 0.191 0.000 1.255 101 W CA -0.725 56.721 57.345 0.169 0.000 1.192 101 W CB 0.741 30.292 29.460 0.153 0.000 1.400 101 W HN 0.852 nan 8.180 nan 0.000 0.568 102 K N 1.705 122.324 120.400 0.366 0.000 2.326 102 K HA 0.459 4.778 4.320 -0.000 0.000 0.275 102 K C 0.973 177.822 176.600 0.415 0.000 1.018 102 K CA 0.833 57.301 56.287 0.302 0.000 0.962 102 K CB 0.435 33.098 32.500 0.271 0.000 0.953 102 K HN 1.608 nan 8.250 nan 0.000 0.475 103 G N 2.550 111.598 108.800 0.413 0.000 2.182 103 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 103 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 103 G C -0.419 174.722 174.900 0.400 0.000 1.042 103 G CA 0.334 45.735 45.100 0.502 0.000 0.775 103 G HN 0.725 nan 8.290 nan 0.000 0.501 104 E N 0.002 120.236 120.200 0.057 0.000 2.397 104 E HA 0.540 4.890 4.350 -0.000 0.000 0.254 104 E C 0.953 177.611 176.600 0.097 0.000 1.231 104 E CA 0.166 56.572 56.400 0.011 0.000 0.954 104 E CB 0.478 29.856 29.700 -0.536 0.000 1.024 104 E HN 0.484 nan 8.360 nan 0.000 0.481 105 T N -2.025 112.618 114.554 0.148 0.000 2.918 105 T HA 0.137 4.487 4.350 -0.000 0.000 0.286 105 T C 0.462 175.206 174.700 0.074 0.000 1.026 105 T CA -0.906 61.255 62.100 0.101 0.000 1.031 105 T CB 1.284 70.234 68.868 0.136 0.000 1.046 105 T HN 0.217 nan 8.240 nan 0.000 0.479 106 D N 1.168 121.577 120.400 0.016 0.000 2.254 106 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 106 D C 1.538 177.906 176.300 0.114 0.000 0.998 106 D CA 1.473 55.482 54.000 0.015 0.000 0.885 106 D CB 0.141 40.923 40.800 -0.030 0.000 0.915 106 D HN 0.707 nan 8.370 nan 0.000 0.460 107 E N 0.602 120.871 120.200 0.115 0.000 2.033 107 E HA -0.098 4.251 4.350 -0.000 0.000 0.189 107 E C 2.086 178.806 176.600 0.200 0.000 0.979 107 E CA 0.793 57.276 56.400 0.138 0.000 0.802 107 E CB -0.182 29.583 29.700 0.107 0.000 0.763 107 E HN 0.467 nan 8.360 nan 0.000 0.449 108 E N -0.108 120.222 120.200 0.217 0.000 2.153 108 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 108 E C 1.872 178.615 176.600 0.239 0.000 0.988 108 E CA 0.906 57.485 56.400 0.299 0.000 0.811 108 E CB -0.414 29.544 29.700 0.430 0.000 0.746 108 E HN 0.315 nan 8.360 nan 0.000 0.466 109 Y N 2.173 122.480 120.300 0.012 0.000 2.081 109 Y HA -0.245 4.305 4.550 -0.000 0.000 0.280 109 Y C 2.220 178.123 175.900 0.005 0.000 1.163 109 Y CA 1.562 59.625 58.100 -0.062 0.000 1.135 109 Y CB -0.329 38.072 38.460 -0.098 0.000 0.970 109 Y HN -0.001 nan 8.280 nan 0.000 0.498 110 L N -0.847 120.443 121.223 0.112 0.000 2.083 110 L HA -0.238 4.101 4.340 -0.000 0.000 0.209 110 L C 2.278 179.149 176.870 0.002 0.000 1.083 110 L CA 2.037 56.890 54.840 0.023 0.000 0.752 110 L CB -0.659 41.472 42.059 0.121 0.000 0.899 110 L HN 0.636 nan 8.230 nan 0.000 0.433 111 W N 0.252 121.522 121.300 -0.050 0.000 2.358 111 W HA -0.251 4.409 4.660 -0.000 0.000 0.303 111 W C 2.632 179.087 176.519 -0.108 0.000 1.208 111 W CA 1.928 59.252 57.345 -0.035 0.000 1.274 111 W CB -0.567 28.925 29.460 0.053 0.000 1.138 111 W HN 0.170 nan 8.180 nan 0.000 0.515 112 C N 0.373 119.667 119.300 -0.010 0.000 2.413 112 C HA -0.213 4.246 4.460 -0.000 0.000 0.276 112 C C 2.707 177.418 174.990 -0.464 0.000 1.248 112 C CA 1.289 60.170 59.018 -0.229 0.000 1.742 112 C CB -1.527 26.195 27.740 -0.030 0.000 2.017 112 C HN 0.370 nan 8.230 nan 0.000 0.481 113 I N 0.806 121.110 120.570 -0.444 0.000 2.179 113 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 113 I C 2.584 178.428 176.117 -0.455 0.000 1.088 113 I CA 1.431 62.465 61.300 -0.445 0.000 1.357 113 I CB -0.664 37.088 38.000 -0.413 0.000 1.051 113 I HN 0.388 nan 8.210 nan 0.000 0.409 114 E N 0.575 120.511 120.200 -0.439 0.000 2.204 114 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 114 E C 2.109 178.391 176.600 -0.530 0.000 0.990 114 E CA 0.866 57.020 56.400 -0.410 0.000 0.821 114 E CB -0.182 29.348 29.700 -0.284 0.000 0.750 114 E HN 0.536 nan 8.360 nan 0.000 0.477 115 Q N -0.292 119.013 119.800 -0.824 0.000 2.230 115 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 115 Q C 2.138 177.611 176.000 -0.878 0.000 0.963 115 Q CA 1.547 56.687 55.803 -1.104 0.000 0.866 115 Q CB -0.304 27.247 28.738 -1.978 0.000 0.931 115 Q HN 0.425 nan 8.270 nan 0.000 0.452 116 T N -2.637 111.525 114.554 -0.653 0.000 3.081 116 T HA 0.123 4.473 4.350 -0.000 0.000 0.255 116 T C 1.866 176.353 174.700 -0.355 0.000 1.113 116 T CA -0.008 61.804 62.100 -0.480 0.000 1.082 116 T CB -0.148 68.506 68.868 -0.356 0.000 0.939 116 T HN 0.120 nan 8.240 nan 0.000 0.506 117 L N -0.012 121.001 121.223 -0.350 0.000 2.201 117 L HA 0.090 4.430 4.340 -0.000 0.000 0.212 117 L C 1.013 177.653 176.870 -0.384 0.000 1.105 117 L CA 0.899 55.529 54.840 -0.350 0.000 0.775 117 L CB -0.605 41.178 42.059 -0.461 0.000 0.913 117 L HN 0.408 nan 8.230 nan 0.000 0.440 118 H N -0.888 118.133 119.070 -0.081 0.000 2.505 118 H HA 0.387 4.943 4.556 -0.000 0.000 0.338 118 H C -0.829 174.486 175.328 -0.021 0.000 1.057 118 H CA -0.648 55.421 56.048 0.034 0.000 1.202 118 H CB 1.558 31.304 29.762 -0.026 0.000 1.466 118 H HN -0.181 nan 8.280 nan 0.000 0.499 119 F N 1.913 121.889 119.950 0.044 0.000 2.461 119 F HA 0.171 4.698 4.527 -0.000 0.000 0.332 119 F C 1.971 177.796 175.800 0.042 0.000 1.073 119 F CA -1.007 57.008 58.000 0.025 0.000 1.017 119 F CB 0.879 39.872 39.000 -0.011 0.000 1.301 119 F HN 0.353 nan 8.300 nan 0.000 0.492 120 K N 0.262 120.793 120.400 0.219 0.000 2.020 120 K HA -0.192 4.128 4.320 -0.000 0.000 0.212 120 K C 0.236 176.910 176.600 0.122 0.000 1.050 120 K CA 2.092 58.459 56.287 0.133 0.000 0.929 120 K CB -0.848 31.718 32.500 0.111 0.000 0.714 120 K HN 0.631 nan 8.250 nan 0.000 0.443 121 D N 0.113 120.592 120.400 0.133 0.000 2.491 121 D HA 0.378 5.018 4.640 -0.000 0.000 0.228 121 D C 0.625 176.976 176.300 0.085 0.000 1.183 121 D CA 0.007 54.060 54.000 0.089 0.000 0.827 121 D CB 0.575 41.412 40.800 0.062 0.000 0.989 121 D HN 0.447 nan 8.370 nan 0.000 0.494 122 G N 0.275 109.153 108.800 0.131 0.000 2.359 122 G HA2 0.161 4.121 3.960 -0.000 0.000 0.314 122 G HA3 0.161 4.121 3.960 -0.000 0.000 0.314 122 G C -3.264 171.741 174.900 0.175 0.000 1.364 122 G CA -1.115 44.058 45.100 0.122 0.000 0.978 122 G HN -0.029 nan 8.290 nan 0.000 0.615 123 P HA 0.455 nan 4.420 nan 0.000 0.274 123 P C 0.695 177.945 177.300 -0.083 0.000 1.256 123 P CA -0.576 62.555 63.100 0.052 0.000 0.795 123 P CB 0.591 32.278 31.700 -0.023 0.000 1.038 124 L N -0.223 120.939 121.223 -0.101 0.000 2.525 124 L HA 0.203 4.543 4.340 -0.000 0.000 0.278 124 L C 0.646 177.366 176.870 -0.250 0.000 1.218 124 L CA -0.051 54.622 54.840 -0.278 0.000 0.878 124 L CB -0.464 41.553 42.059 -0.071 0.000 1.127 124 L HN 0.323 nan 8.230 nan 0.000 0.492 125 N N 2.718 121.223 118.700 -0.325 0.000 2.200 125 N HA 0.297 5.036 4.740 -0.000 0.000 0.224 125 N C -0.560 174.872 175.510 -0.131 0.000 1.179 125 N CA -0.248 52.708 53.050 -0.156 0.000 0.877 125 N CB 0.673 39.112 38.487 -0.080 0.000 1.072 125 N HN 0.573 nan 8.380 nan 0.000 0.519 126 M N 0.706 120.180 119.600 -0.211 0.000 2.471 126 M HA 0.450 4.930 4.480 -0.000 0.000 0.284 126 M C -1.648 174.558 176.300 -0.157 0.000 1.203 126 M CA -0.449 54.750 55.300 -0.168 0.000 0.915 126 M CB 2.433 34.871 32.600 -0.271 0.000 1.734 126 M HN -0.066 nan 8.290 nan 0.000 0.485 127 I N 2.677 123.174 120.570 -0.122 0.000 2.498 127 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 127 I C -1.042 174.989 176.117 -0.143 0.000 1.032 127 I CA -0.762 60.452 61.300 -0.142 0.000 1.073 127 I CB 2.554 40.487 38.000 -0.112 0.000 1.251 127 I HN 0.554 nan 8.210 nan 0.000 0.426 128 L N 6.056 127.157 121.223 -0.204 0.000 2.417 128 L HA 0.478 4.818 4.340 -0.000 0.000 0.259 128 L C -1.238 175.496 176.870 -0.226 0.000 1.023 128 L CA -0.241 54.498 54.840 -0.168 0.000 0.901 128 L CB 0.685 42.666 42.059 -0.131 0.000 1.227 128 L HN 0.499 nan 8.230 nan 0.000 0.454 129 D N 2.116 122.429 120.400 -0.145 0.000 2.272 129 D HA 0.353 4.993 4.640 -0.000 0.000 0.247 129 D C -1.298 174.961 176.300 -0.068 0.000 0.990 129 D CA -0.015 53.903 54.000 -0.136 0.000 0.931 129 D CB 2.145 42.876 40.800 -0.116 0.000 1.195 129 D HN 0.388 nan 8.370 nan 0.000 0.477 130 D N 0.499 120.861 120.400 -0.063 0.000 2.336 130 D HA 0.428 5.068 4.640 -0.000 0.000 0.248 130 D C 0.537 176.820 176.300 -0.028 0.000 1.326 130 D CA -0.225 53.746 54.000 -0.048 0.000 0.973 130 D CB 0.268 41.066 40.800 -0.003 0.000 1.255 130 D HN 0.570 nan 8.370 nan 0.000 0.558 131 G N 1.931 110.737 108.800 0.010 0.000 2.284 131 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.201 131 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.201 131 G C 1.078 176.057 174.900 0.131 0.000 0.998 131 G CA 0.450 45.674 45.100 0.206 0.000 0.651 131 G HN 1.528 nan 8.290 nan 0.000 0.489 132 G N -0.092 108.738 108.800 0.049 0.000 2.159 132 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.256 132 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.256 132 G C 0.769 175.684 174.900 0.026 0.000 0.977 132 G CA 1.216 46.326 45.100 0.017 0.000 0.652 132 G HN 0.627 nan 8.290 nan 0.000 0.531 133 D N -0.063 120.372 120.400 0.060 0.000 2.097 133 D HA -0.008 4.632 4.640 -0.000 0.000 0.197 133 D C 2.535 178.819 176.300 -0.027 0.000 0.984 133 D CA 1.007 55.041 54.000 0.058 0.000 0.826 133 D CB -0.145 40.737 40.800 0.137 0.000 0.973 133 D HN 0.444 nan 8.370 nan 0.000 0.460 134 L N 0.706 121.878 121.223 -0.085 0.000 2.017 134 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 134 L C 2.570 179.382 176.870 -0.096 0.000 1.073 134 L CA 1.842 56.597 54.840 -0.141 0.000 0.745 134 L CB -0.513 41.426 42.059 -0.200 0.000 0.894 134 L HN 0.165 nan 8.230 nan 0.000 0.432 135 T N -2.907 111.600 114.554 -0.077 0.000 2.867 135 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 135 T C 1.455 176.136 174.700 -0.033 0.000 1.057 135 T CA 1.969 64.039 62.100 -0.050 0.000 1.136 135 T CB -0.448 68.346 68.868 -0.123 0.000 0.874 135 T HN 0.384 nan 8.240 nan 0.000 0.466 136 N N 0.069 118.742 118.700 -0.045 0.000 2.354 136 N HA 0.161 4.901 4.740 -0.000 0.000 0.179 136 N C 1.649 177.184 175.510 0.042 0.000 1.021 136 N CA 0.713 53.756 53.050 -0.012 0.000 0.887 136 N CB -0.192 38.291 38.487 -0.007 0.000 0.974 136 N HN 0.296 nan 8.380 nan 0.000 0.437 137 L N 0.763 121.990 121.223 0.007 0.000 1.988 137 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 137 L C 1.708 178.595 176.870 0.027 0.000 1.071 137 L CA 1.372 56.209 54.840 -0.005 0.000 0.744 137 L CB -0.404 41.593 42.059 -0.103 0.000 0.893 137 L HN 0.115 nan 8.230 nan 0.000 0.433 138 I N -0.360 120.196 120.570 -0.024 0.000 2.118 138 I HA -0.355 3.815 4.170 -0.000 0.000 0.241 138 I C 2.608 178.780 176.117 0.092 0.000 1.070 138 I CA 1.773 63.077 61.300 0.007 0.000 1.327 138 I CB -1.792 36.201 38.000 -0.012 0.000 1.034 138 I HN 0.416 nan 8.210 nan 0.000 0.405 139 H N 0.716 119.785 119.070 -0.002 0.000 2.352 139 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 139 H C 2.302 177.645 175.328 0.025 0.000 1.097 139 H CA 2.529 58.582 56.048 0.009 0.000 1.311 139 H CB -0.231 29.530 29.762 -0.001 0.000 1.377 139 H HN 0.484 nan 8.280 nan 0.000 0.504 140 T N -3.196 111.450 114.554 0.153 0.000 3.037 140 T HA 0.122 4.472 4.350 -0.000 0.000 0.251 140 T C 1.700 176.452 174.700 0.088 0.000 1.079 140 T CA 0.495 62.654 62.100 0.098 0.000 1.067 140 T CB 0.411 69.326 68.868 0.078 0.000 0.948 140 T HN 0.013 nan 8.240 nan 0.000 0.496 141 K N -0.213 120.276 120.400 0.149 0.000 2.424 141 K HA 0.276 4.596 4.320 -0.000 0.000 0.198 141 K C 0.266 176.931 176.600 0.109 0.000 1.190 141 K CA 0.351 56.740 56.287 0.171 0.000 0.935 141 K CB 0.546 33.231 32.500 0.309 0.000 1.087 141 K HN 0.352 nan 8.250 nan 0.000 0.524 142 H N -0.761 118.298 119.070 -0.018 0.000 2.481 142 H HA 0.274 4.830 4.556 -0.000 0.000 0.273 142 H C -2.175 173.125 175.328 -0.047 0.000 1.145 142 H CA -2.174 53.858 56.048 -0.027 0.000 0.964 142 H CB 0.291 30.030 29.762 -0.038 0.000 1.722 142 H HN 0.049 nan 8.280 nan 0.000 0.573 143 P HA -0.244 nan 4.420 nan 0.000 0.219 143 P C 1.097 178.376 177.300 -0.035 0.000 1.149 143 P CA 1.505 64.583 63.100 -0.035 0.000 0.835 143 P CB 0.381 32.059 31.700 -0.036 0.000 0.778 144 Q N -0.813 118.982 119.800 -0.008 0.000 2.124 144 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 144 Q C 1.984 177.985 176.000 0.000 0.000 0.977 144 Q CA 1.218 57.019 55.803 -0.004 0.000 0.850 144 Q CB -1.133 27.609 28.738 0.007 0.000 0.901 144 Q HN 0.310 nan 8.270 nan 0.000 0.429 145 L N -0.585 120.645 121.223 0.012 0.000 2.418 145 L HA -0.023 4.317 4.340 -0.000 0.000 0.218 145 L C 1.644 178.489 176.870 -0.042 0.000 1.125 145 L CA -0.112 54.723 54.840 -0.009 0.000 0.835 145 L CB -0.303 41.746 42.059 -0.017 0.000 0.953 145 L HN 0.173 nan 8.230 nan 0.000 0.454 146 L N 0.473 121.654 121.223 -0.069 0.000 2.051 146 L HA -0.282 4.058 4.340 -0.000 0.000 0.214 146 L C 2.798 179.621 176.870 -0.078 0.000 1.076 146 L CA 2.276 57.043 54.840 -0.123 0.000 0.758 146 L CB -0.764 41.169 42.059 -0.211 0.000 0.890 146 L HN 0.453 nan 8.230 nan 0.000 0.433 147 S N -1.756 113.913 115.700 -0.052 0.000 2.561 147 S HA 0.034 4.503 4.470 -0.000 0.000 0.225 147 S C 1.728 176.320 174.600 -0.014 0.000 0.977 147 S CA 0.517 58.699 58.200 -0.030 0.000 0.926 147 S CB -0.339 62.847 63.200 -0.023 0.000 0.769 147 S HN 0.412 nan 8.310 nan 0.000 0.533 148 G N 0.466 109.257 108.800 -0.015 0.000 3.020 148 G HA2 0.357 4.317 3.960 -0.000 0.000 0.217 148 G HA3 0.357 4.317 3.960 -0.000 0.000 0.217 148 G C 0.232 175.135 174.900 0.004 0.000 1.144 148 G CA -0.405 44.693 45.100 -0.003 0.000 0.760 148 G HN 0.522 nan 8.290 nan 0.000 0.548 149 I N 0.819 121.385 120.570 -0.007 0.000 2.352 149 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 149 I C 1.592 177.734 176.117 0.043 0.000 1.036 149 I CA -0.423 60.877 61.300 0.001 0.000 1.336 149 I CB 1.748 39.736 38.000 -0.020 0.000 1.407 149 I HN -0.005 nan 8.210 nan 0.000 0.497 150 R N 4.458 125.019 120.500 0.101 0.000 2.148 150 R HA 0.154 4.494 4.340 -0.000 0.000 0.223 150 R C 0.580 176.930 176.300 0.084 0.000 1.088 150 R CA 0.727 56.900 56.100 0.123 0.000 0.985 150 R CB 0.259 30.718 30.300 0.265 0.000 0.880 150 R HN 0.881 nan 8.270 nan 0.000 0.451 151 G N -0.717 108.119 108.800 0.060 0.000 2.489 151 G HA2 0.374 4.333 3.960 -0.000 0.000 0.291 151 G HA3 0.374 4.333 3.960 -0.000 0.000 0.291 151 G C -1.471 173.421 174.900 -0.014 0.000 1.487 151 G CA -0.863 44.249 45.100 0.020 0.000 0.795 151 G HN 0.036 nan 8.290 nan 0.000 0.513 152 I N 0.058 120.610 120.570 -0.030 0.000 2.750 152 I HA 0.675 4.844 4.170 -0.000 0.000 0.308 152 I C 0.081 176.155 176.117 -0.072 0.000 1.016 152 I CA -0.973 60.295 61.300 -0.054 0.000 1.098 152 I CB 2.324 40.291 38.000 -0.055 0.000 1.279 152 I HN 0.394 nan 8.210 nan 0.000 0.454 153 S N 2.862 118.518 115.700 -0.074 0.000 2.652 153 S HA 0.290 4.760 4.470 -0.000 0.000 0.252 153 S C -0.877 173.694 174.600 -0.050 0.000 1.219 153 S CA -0.475 57.690 58.200 -0.058 0.000 1.151 153 S CB 0.379 63.553 63.200 -0.043 0.000 1.080 153 S HN 0.568 nan 8.310 nan 0.000 0.481 154 E N 2.323 122.490 120.200 -0.054 0.000 2.204 154 E HA 0.423 4.772 4.350 -0.000 0.000 0.276 154 E C 0.550 177.145 176.600 -0.008 0.000 0.974 154 E CA -0.449 55.924 56.400 -0.046 0.000 0.815 154 E CB 0.950 30.602 29.700 -0.079 0.000 1.119 154 E HN 0.713 nan 8.360 nan 0.000 0.393 155 E N 1.659 121.863 120.200 0.007 0.000 2.641 155 E HA 0.143 4.493 4.350 -0.000 0.000 0.224 155 E C -0.154 176.449 176.600 0.005 0.000 0.951 155 E CA -0.340 56.081 56.400 0.036 0.000 1.102 155 E CB 0.731 30.485 29.700 0.090 0.000 1.091 155 E HN 0.295 nan 8.360 nan 0.000 0.507 156 T N 0.460 114.989 114.554 -0.041 0.000 2.867 156 T HA 0.178 4.528 4.350 -0.000 0.000 0.282 156 T C 0.960 175.653 174.700 -0.012 0.000 1.000 156 T CA -0.056 61.989 62.100 -0.091 0.000 1.042 156 T CB 1.604 70.303 68.868 -0.282 0.000 0.973 156 T HN 0.097 nan 8.240 nan 0.000 0.465 157 T N 3.127 117.689 114.554 0.013 0.000 2.665 157 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 157 T C 2.062 176.839 174.700 0.128 0.000 1.035 157 T CA 2.038 64.189 62.100 0.085 0.000 1.151 157 T CB -0.463 68.453 68.868 0.080 0.000 0.862 157 T HN 0.669 nan 8.240 nan 0.000 0.438 158 T N 1.077 115.678 114.554 0.079 0.000 2.737 158 T HA 0.018 4.368 4.350 -0.000 0.000 0.265 158 T C 2.327 177.080 174.700 0.088 0.000 1.038 158 T CA 1.265 63.409 62.100 0.072 0.000 1.144 158 T CB -0.916 67.952 68.868 0.000 0.000 0.866 158 T HN 0.538 nan 8.240 nan 0.000 0.434 159 G N 1.018 109.854 108.800 0.059 0.000 2.446 159 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 159 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 159 G C 1.704 176.622 174.900 0.030 0.000 1.168 159 G CA 0.910 46.035 45.100 0.043 0.000 0.771 159 G HN 0.422 nan 8.290 nan 0.000 0.551 160 V N 0.489 120.421 119.914 0.029 0.000 2.490 160 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 160 V C 2.372 178.513 176.094 0.079 0.000 1.061 160 V CA 2.334 64.611 62.300 -0.039 0.000 1.064 160 V CB -0.640 31.194 31.823 0.018 0.000 0.670 160 V HN 0.730 nan 8.190 nan 0.000 0.461 161 H N 0.366 119.502 119.070 0.109 0.000 2.353 161 H HA -0.213 4.343 4.556 -0.000 0.000 0.300 161 H C 2.312 177.717 175.328 0.128 0.000 1.090 161 H CA 1.931 58.092 56.048 0.189 0.000 1.327 161 H CB 0.081 29.927 29.762 0.140 0.000 1.383 161 H HN 0.500 nan 8.280 nan 0.000 0.508 162 N N 0.180 119.058 118.700 0.297 0.000 2.188 162 N HA -0.127 4.612 4.740 -0.000 0.000 0.184 162 N C 1.969 177.525 175.510 0.076 0.000 1.018 162 N CA 1.097 54.248 53.050 0.168 0.000 0.858 162 N CB -0.210 38.319 38.487 0.070 0.000 0.989 162 N HN 0.417 nan 8.380 nan 0.000 0.426 163 L N -0.779 120.432 121.223 -0.019 0.000 1.994 163 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 163 L C 1.769 178.572 176.870 -0.112 0.000 1.071 163 L CA 1.141 55.895 54.840 -0.144 0.000 0.745 163 L CB -0.575 41.311 42.059 -0.288 0.000 0.892 163 L HN 0.249 nan 8.230 nan 0.000 0.431 164 Y N 0.161 120.448 120.300 -0.022 0.000 2.207 164 Y HA -0.327 4.222 4.550 -0.001 0.000 0.287 164 Y C 2.642 178.530 175.900 -0.021 0.000 1.156 164 Y CA 1.575 59.647 58.100 -0.047 0.000 1.182 164 Y CB -0.479 37.942 38.460 -0.064 0.000 0.979 164 Y HN 0.126 nan 8.280 nan 0.000 0.521 165 K N -0.170 120.335 120.400 0.175 0.000 2.025 165 K HA -0.179 4.140 4.320 -0.000 0.000 0.207 165 K C 2.056 178.699 176.600 0.072 0.000 1.049 165 K CA 1.456 57.819 56.287 0.126 0.000 0.933 165 K CB -0.204 32.400 32.500 0.172 0.000 0.714 165 K HN 0.222 nan 8.250 nan 0.000 0.438 166 M N -0.041 119.583 119.600 0.040 0.000 2.082 166 M HA -0.240 4.240 4.480 -0.000 0.000 0.258 166 M C 2.371 178.682 176.300 0.018 0.000 1.069 166 M CA 1.489 56.794 55.300 0.007 0.000 1.102 166 M CB -0.291 32.272 32.600 -0.061 0.000 1.336 166 M HN 0.263 nan 8.290 nan 0.000 0.404 167 M N 0.037 119.645 119.600 0.014 0.000 2.086 167 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 167 M C 2.465 178.786 176.300 0.035 0.000 1.067 167 M CA 1.817 57.129 55.300 0.020 0.000 1.116 167 M CB -1.047 31.559 32.600 0.011 0.000 1.348 167 M HN 0.350 nan 8.290 nan 0.000 0.407 168 A N 0.497 123.345 122.820 0.048 0.000 2.032 168 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 168 A C 1.574 179.178 177.584 0.034 0.000 1.165 168 A CA 1.756 53.817 52.037 0.040 0.000 0.645 168 A CB -0.638 18.389 19.000 0.044 0.000 0.807 168 A HN 0.590 nan 8.150 nan 0.000 0.453 169 N N -1.308 117.414 118.700 0.036 0.000 2.203 169 N HA 0.210 4.949 4.740 -0.000 0.000 0.207 169 N C 0.963 176.493 175.510 0.033 0.000 1.130 169 N CA 0.833 53.903 53.050 0.033 0.000 0.861 169 N CB 0.492 39.000 38.487 0.036 0.000 1.005 169 N HN 0.576 nan 8.380 nan 0.000 0.507 170 G N 1.378 110.199 108.800 0.034 0.000 2.198 170 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.260 170 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.260 170 G C 0.783 175.712 174.900 0.049 0.000 1.025 170 G CA 0.491 45.613 45.100 0.037 0.000 0.769 170 G HN 0.417 nan 8.290 nan 0.000 0.507 171 I N -0.777 119.828 120.570 0.058 0.000 3.081 171 I HA 0.246 4.416 4.170 -0.000 0.000 0.274 171 I C 1.714 177.928 176.117 0.161 0.000 1.178 171 I CA -0.174 61.181 61.300 0.092 0.000 1.460 171 I CB 0.028 38.074 38.000 0.076 0.000 1.137 171 I HN 0.204 nan 8.210 nan 0.000 0.443 172 L N 3.247 124.532 121.223 0.103 0.000 2.499 172 L HA 0.011 4.350 4.340 -0.000 0.000 0.273 172 L C 0.700 177.701 176.870 0.218 0.000 1.195 172 L CA 0.523 55.453 54.840 0.150 0.000 0.882 172 L CB 0.376 42.448 42.059 0.022 0.000 1.133 172 L HN 0.212 nan 8.230 nan 0.000 0.483 173 K N 4.133 124.759 120.400 0.377 0.000 2.438 173 K HA 0.214 4.534 4.320 -0.000 0.000 0.206 173 K C -0.449 176.197 176.600 0.077 0.000 1.081 173 K CA 0.119 56.470 56.287 0.106 0.000 1.053 173 K CB 1.005 33.457 32.500 -0.081 0.000 0.908 173 K HN 0.427 nan 8.250 nan 0.000 0.556 174 V N 1.196 121.197 119.914 0.146 0.000 2.841 174 V HA 0.534 4.654 4.120 -0.000 0.000 0.310 174 V C -3.044 173.104 176.094 0.090 0.000 1.090 174 V CA -2.635 59.724 62.300 0.098 0.000 0.930 174 V CB 2.573 34.453 31.823 0.095 0.000 1.014 174 V HN -0.129 nan 8.190 nan 0.000 0.425 175 P HA 0.379 nan 4.420 nan 0.000 0.264 175 P C -0.707 176.635 177.300 0.070 0.000 1.193 175 P CA 0.484 63.665 63.100 0.136 0.000 0.763 175 P CB 0.665 32.476 31.700 0.185 0.000 0.810 176 A N 4.120 126.964 122.820 0.040 0.000 2.354 176 A HA 0.774 5.094 4.320 -0.000 0.000 0.321 176 A C -0.765 176.798 177.584 -0.035 0.000 1.125 176 A CA -0.788 51.222 52.037 -0.045 0.000 0.799 176 A CB 1.056 19.981 19.000 -0.126 0.000 1.293 176 A HN 0.465 nan 8.150 nan 0.000 0.452 177 I N 1.752 122.272 120.570 -0.083 0.000 2.436 177 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 177 I C -0.647 175.417 176.117 -0.089 0.000 1.010 177 I CA -0.758 60.502 61.300 -0.066 0.000 1.098 177 I CB 1.985 39.929 38.000 -0.093 0.000 1.266 177 I HN 0.716 nan 8.210 nan 0.000 0.434 178 N N 6.175 124.803 118.700 -0.120 0.000 2.415 178 N HA 0.120 4.859 4.740 -0.000 0.000 0.250 178 N C 0.274 175.856 175.510 0.120 0.000 1.127 178 N CA 0.073 53.081 53.050 -0.070 0.000 0.945 178 N CB 1.345 39.722 38.487 -0.182 0.000 1.196 178 N HN 0.383 nan 8.380 nan 0.000 0.499 179 V N 3.605 123.572 119.914 0.088 0.000 3.174 179 V HA -0.058 4.062 4.120 -0.000 0.000 0.254 179 V C 2.034 178.204 176.094 0.127 0.000 1.120 179 V CA 0.930 63.299 62.300 0.115 0.000 1.114 179 V CB -0.694 31.178 31.823 0.082 0.000 0.756 179 V HN 0.709 nan 8.190 nan 0.000 0.467 180 N N 0.800 119.572 118.700 0.121 0.000 2.166 180 N HA -0.180 4.559 4.740 -0.000 0.000 0.186 180 N C 1.238 176.835 175.510 0.145 0.000 1.019 180 N CA 1.483 54.600 53.050 0.112 0.000 0.856 180 N CB -0.078 38.467 38.487 0.098 0.000 0.993 180 N HN 0.342 nan 8.380 nan 0.000 0.426 181 D N 0.040 120.583 120.400 0.239 0.000 2.352 181 D HA 0.078 4.718 4.640 -0.000 0.000 0.236 181 D C -0.391 175.983 176.300 0.124 0.000 1.148 181 D CA 0.204 54.346 54.000 0.237 0.000 0.844 181 D CB 0.063 41.152 40.800 0.482 0.000 0.933 181 D HN 0.201 nan 8.370 nan 0.000 0.507 182 S N -0.454 115.319 115.700 0.121 0.000 2.584 182 S HA 0.124 4.593 4.470 -0.000 0.000 0.273 182 S C 1.921 176.533 174.600 0.019 0.000 1.311 182 S CA -0.788 57.448 58.200 0.060 0.000 1.034 182 S CB 2.395 65.635 63.200 0.067 0.000 0.939 182 S HN -0.081 nan 8.310 nan 0.000 0.513 183 V N 2.429 122.318 119.914 -0.042 0.000 2.343 183 V HA -0.186 3.933 4.120 -0.000 0.000 0.247 183 V C 2.628 178.788 176.094 0.111 0.000 1.051 183 V CA 2.233 64.493 62.300 -0.067 0.000 1.036 183 V CB -1.690 29.887 31.823 -0.410 0.000 0.654 183 V HN 1.068 nan 8.190 nan 0.000 0.451 184 T N -2.140 112.392 114.554 -0.037 0.000 3.007 184 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 184 T C 1.769 176.441 174.700 -0.047 0.000 1.107 184 T CA 1.280 63.226 62.100 -0.257 0.000 1.118 184 T CB -0.036 68.591 68.868 -0.402 0.000 0.889 184 T HN 0.366 nan 8.240 nan 0.000 0.506 185 K N 1.017 121.444 120.400 0.046 0.000 2.102 185 K HA 0.159 4.479 4.320 -0.000 0.000 0.206 185 K C 2.683 179.350 176.600 0.112 0.000 1.031 185 K CA 1.074 57.395 56.287 0.057 0.000 0.962 185 K CB -0.673 31.856 32.500 0.048 0.000 0.811 185 K HN 0.291 nan 8.250 nan 0.000 0.453 186 S N 1.113 116.868 115.700 0.091 0.000 2.351 186 S HA -0.107 4.363 4.470 -0.000 0.000 0.220 186 S C 1.698 176.293 174.600 -0.007 0.000 1.035 186 S CA 1.475 59.703 58.200 0.046 0.000 1.031 186 S CB -0.098 63.123 63.200 0.034 0.000 0.928 186 S HN 0.232 nan 8.310 nan 0.000 0.433 187 K N 0.136 120.531 120.400 -0.008 0.000 2.442 187 K HA 0.046 4.366 4.320 -0.000 0.000 0.198 187 K C 1.312 177.598 176.600 -0.524 0.000 1.042 187 K CA 0.828 56.945 56.287 -0.284 0.000 0.958 187 K CB -0.429 31.853 32.500 -0.363 0.000 0.766 187 K HN 0.499 nan 8.250 nan 0.000 0.474 188 F N -0.024 119.886 119.950 -0.066 0.000 2.537 188 F HA 0.075 4.602 4.527 -0.000 0.000 0.277 188 F C 2.106 177.931 175.800 0.042 0.000 1.013 188 F CA -0.001 58.077 58.000 0.130 0.000 1.332 188 F CB -0.488 38.604 39.000 0.154 0.000 1.108 188 F HN -0.055 nan 8.300 nan 0.000 0.679 189 D N 0.847 121.355 120.400 0.180 0.000 2.083 189 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 189 D C 1.619 177.935 176.300 0.027 0.000 0.980 189 D CA 1.841 55.901 54.000 0.100 0.000 0.851 189 D CB -0.447 40.404 40.800 0.084 0.000 0.997 189 D HN -0.008 nan 8.370 nan 0.000 0.449 190 N N 0.305 119.022 118.700 0.028 0.000 2.037 190 N HA -0.180 4.560 4.740 -0.000 0.000 0.196 190 N C 1.693 177.130 175.510 -0.121 0.000 1.034 190 N CA 1.397 54.443 53.050 -0.007 0.000 0.861 190 N CB -0.761 37.707 38.487 -0.033 0.000 1.039 190 N HN 0.281 nan 8.380 nan 0.000 0.427 191 L N -0.485 120.600 121.223 -0.230 0.000 1.982 191 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 191 L C 1.729 178.407 176.870 -0.319 0.000 1.078 191 L CA 1.580 56.202 54.840 -0.364 0.000 0.749 191 L CB -1.104 40.585 42.059 -0.617 0.000 0.894 191 L HN 0.123 nan 8.230 nan 0.000 0.436 192 Y N 0.436 120.646 120.300 -0.150 0.000 2.274 192 Y HA -0.002 4.548 4.550 0.000 0.000 0.290 192 Y C 2.469 178.251 175.900 -0.196 0.000 1.145 192 Y CA 0.944 58.968 58.100 -0.126 0.000 1.203 192 Y CB -1.519 36.910 38.460 -0.053 0.000 0.984 192 Y HN 0.312 nan 8.280 nan 0.000 0.533 193 G N -0.868 107.803 108.800 -0.215 0.000 2.453 193 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.215 193 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.215 193 G C 1.758 176.203 174.900 -0.759 0.000 1.201 193 G CA 1.332 45.973 45.100 -0.765 0.000 0.784 193 G HN 0.467 nan 8.290 nan 0.000 0.545 194 C N -0.046 118.939 119.300 -0.525 0.000 2.419 194 C HA 0.078 4.538 4.460 -0.000 0.000 0.281 194 C C 2.795 177.745 174.990 -0.066 0.000 1.336 194 C CA 0.703 59.634 59.018 -0.145 0.000 1.770 194 C CB -0.935 26.784 27.740 -0.034 0.000 1.929 194 C HN 0.551 nan 8.230 nan 0.000 0.509 195 R N 0.923 121.378 120.500 -0.074 0.000 2.127 195 R HA -0.168 4.171 4.340 -0.000 0.000 0.238 195 R C 1.923 178.241 176.300 0.031 0.000 1.134 195 R CA 1.688 57.784 56.100 -0.006 0.000 0.975 195 R CB -0.119 30.192 30.300 0.018 0.000 0.865 195 R HN 0.593 nan 8.270 nan 0.000 0.447 196 E N -0.984 119.221 120.200 0.007 0.000 2.166 196 E HA -0.035 4.314 4.350 -0.000 0.000 0.192 196 E C 1.547 178.189 176.600 0.070 0.000 0.967 196 E CA 0.936 57.364 56.400 0.047 0.000 0.840 196 E CB 0.438 30.158 29.700 0.034 0.000 0.795 196 E HN 0.372 nan 8.360 nan 0.000 0.470 197 S N -0.031 115.704 115.700 0.059 0.000 2.548 197 S HA -0.006 4.464 4.470 -0.000 0.000 0.215 197 S C 1.803 176.469 174.600 0.109 0.000 0.976 197 S CA -0.045 58.224 58.200 0.117 0.000 0.908 197 S CB 0.127 63.464 63.200 0.229 0.000 0.781 197 S HN 0.206 nan 8.310 nan 0.000 0.519 198 L N 1.802 123.080 121.223 0.091 0.000 2.023 198 L HA 0.201 4.541 4.340 -0.000 0.000 0.205 198 L C 2.108 179.023 176.870 0.075 0.000 1.073 198 L CA 1.649 56.539 54.840 0.084 0.000 0.745 198 L CB -0.621 41.480 42.059 0.070 0.000 0.900 198 L HN 0.247 nan 8.230 nan 0.000 0.435 199 I N -0.073 120.548 120.570 0.085 0.000 2.493 199 I HA -0.216 3.954 4.170 -0.000 0.000 0.254 199 I C 2.078 178.211 176.117 0.026 0.000 1.160 199 I CA 1.265 62.597 61.300 0.053 0.000 1.445 199 I CB -1.186 36.870 38.000 0.093 0.000 1.086 199 I HN 0.395 nan 8.210 nan 0.000 0.433 200 D N 1.349 121.783 120.400 0.058 0.000 2.097 200 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 200 D C 2.244 178.570 176.300 0.043 0.000 0.989 200 D CA 1.660 55.690 54.000 0.051 0.000 0.827 200 D CB -0.177 40.667 40.800 0.074 0.000 0.966 200 D HN 0.287 nan 8.370 nan 0.000 0.456 201 G N 0.644 109.477 108.800 0.055 0.000 2.433 201 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 201 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 201 G C 1.927 176.850 174.900 0.039 0.000 1.186 201 G CA 0.677 45.809 45.100 0.053 0.000 0.779 201 G HN 0.340 nan 8.290 nan 0.000 0.543 202 I N 0.425 121.016 120.570 0.036 0.000 2.151 202 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 202 I C 2.885 179.003 176.117 0.003 0.000 1.080 202 I CA 1.306 62.621 61.300 0.025 0.000 1.339 202 I CB -0.176 37.834 38.000 0.018 0.000 1.039 202 I HN 0.116 nan 8.210 nan 0.000 0.409 203 K N 0.580 120.970 120.400 -0.017 0.000 2.001 203 K HA -0.119 4.200 4.320 -0.000 0.000 0.208 203 K C 2.233 178.825 176.600 -0.013 0.000 1.048 203 K CA 1.201 57.467 56.287 -0.035 0.000 0.932 203 K CB -0.311 32.150 32.500 -0.065 0.000 0.715 203 K HN 0.299 nan 8.250 nan 0.000 0.437 204 R N 0.383 120.885 120.500 0.003 0.000 2.127 204 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 204 R C 2.271 178.576 176.300 0.009 0.000 1.134 204 R CA 1.270 57.376 56.100 0.011 0.000 0.975 204 R CB -0.194 30.121 30.300 0.024 0.000 0.865 204 R HN 0.201 nan 8.270 nan 0.000 0.447 205 A N -0.124 122.703 122.820 0.012 0.000 1.878 205 A HA -0.097 4.223 4.320 -0.000 0.000 0.213 205 A C 2.102 179.692 177.584 0.011 0.000 1.192 205 A CA 1.696 53.741 52.037 0.013 0.000 0.619 205 A CB -0.236 18.778 19.000 0.023 0.000 0.837 205 A HN 0.444 nan 8.150 nan 0.000 0.446 206 T N -6.128 108.432 114.554 0.010 0.000 2.969 206 T HA 0.162 4.512 4.350 -0.000 0.000 0.250 206 T C 0.305 175.003 174.700 -0.003 0.000 1.021 206 T CA 0.877 62.983 62.100 0.009 0.000 1.003 206 T CB 0.166 69.046 68.868 0.020 0.000 1.040 206 T HN 0.308 nan 8.240 nan 0.000 0.492 207 D N 0.601 120.992 120.400 -0.014 0.000 3.012 207 D HA -0.126 4.514 4.640 -0.000 0.000 0.222 207 D C 0.171 176.450 176.300 -0.035 0.000 1.167 207 D CA 0.552 54.535 54.000 -0.028 0.000 0.854 207 D CB -1.785 39.004 40.800 -0.018 0.000 1.107 207 D HN 0.517 nan 8.370 nan 0.000 0.421 208 V N 0.602 120.496 119.914 -0.033 0.000 3.096 208 V HA 0.196 4.316 4.120 -0.000 0.000 0.306 208 V C 0.750 176.807 176.094 -0.062 0.000 1.088 208 V CA -0.178 62.103 62.300 -0.033 0.000 1.129 208 V CB 1.428 33.242 31.823 -0.015 0.000 1.014 208 V HN 0.235 nan 8.190 nan 0.000 0.486 209 M N 6.079 125.648 119.600 -0.051 0.000 2.120 209 M HA 0.313 4.793 4.480 -0.000 0.000 0.354 209 M C 0.385 176.650 176.300 -0.059 0.000 1.287 209 M CA -0.243 55.017 55.300 -0.066 0.000 1.103 209 M CB 0.854 33.433 32.600 -0.036 0.000 1.623 209 M HN 0.617 nan 8.290 nan 0.000 0.471 210 I N 3.234 123.747 120.570 -0.095 0.000 2.233 210 I HA 0.021 4.191 4.170 -0.000 0.000 0.243 210 I C 1.348 177.479 176.117 0.023 0.000 1.093 210 I CA 0.596 61.870 61.300 -0.042 0.000 1.380 210 I CB -1.636 36.325 38.000 -0.066 0.000 1.067 210 I HN 0.822 nan 8.210 nan 0.000 0.413 211 A N 0.854 123.701 122.820 0.046 0.000 2.584 211 A HA 0.294 4.614 4.320 -0.000 0.000 0.239 211 A C 1.563 179.168 177.584 0.035 0.000 1.043 211 A CA 0.930 53.007 52.037 0.067 0.000 0.756 211 A CB -0.597 18.448 19.000 0.075 0.000 0.963 211 A HN 0.854 nan 8.150 nan 0.000 0.511 212 G N 1.561 110.382 108.800 0.035 0.000 2.168 212 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.263 212 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.263 212 G C 0.269 175.174 174.900 0.008 0.000 0.977 212 G CA 0.879 45.991 45.100 0.019 0.000 0.659 212 G HN 0.823 nan 8.290 nan 0.000 0.533 213 K N -0.337 120.066 120.400 0.006 0.000 2.123 213 K HA 0.627 4.947 4.320 -0.000 0.000 0.248 213 K C -0.105 176.478 176.600 -0.028 0.000 0.969 213 K CA -0.825 55.454 56.287 -0.013 0.000 0.882 213 K CB 2.500 34.989 32.500 -0.018 0.000 1.080 213 K HN 0.013 nan 8.250 nan 0.000 0.441 214 V N 1.887 121.765 119.914 -0.060 0.000 2.348 214 V HA 0.256 4.376 4.120 -0.000 0.000 0.270 214 V C -0.172 175.819 176.094 -0.173 0.000 1.037 214 V CA -0.678 61.566 62.300 -0.093 0.000 0.872 214 V CB 0.837 32.601 31.823 -0.098 0.000 1.002 214 V HN 0.801 nan 8.190 nan 0.000 0.464 215 A N 5.577 128.309 122.820 -0.146 0.000 2.276 215 A HA 0.759 5.079 4.320 -0.000 0.000 0.316 215 A C -0.507 176.936 177.584 -0.235 0.000 1.229 215 A CA -0.455 51.466 52.037 -0.194 0.000 0.851 215 A CB 1.066 20.011 19.000 -0.091 0.000 1.165 215 A HN 0.611 nan 8.150 nan 0.000 0.513 216 V N 3.766 123.454 119.914 -0.378 0.000 2.370 216 V HA 0.355 4.475 4.120 -0.000 0.000 0.279 216 V C -0.218 175.782 176.094 -0.156 0.000 1.029 216 V CA -0.389 61.735 62.300 -0.294 0.000 0.870 216 V CB 1.284 32.850 31.823 -0.427 0.000 0.984 216 V HN 0.601 nan 8.190 nan 0.000 0.451 217 V N 4.525 124.374 119.914 -0.109 0.000 2.384 217 V HA 0.663 4.783 4.120 -0.000 0.000 0.287 217 V C 0.461 176.534 176.094 -0.035 0.000 1.020 217 V CA -0.600 61.663 62.300 -0.061 0.000 0.850 217 V CB 1.694 33.469 31.823 -0.079 0.000 0.987 217 V HN 0.950 nan 8.190 nan 0.000 0.436 218 A N 4.132 126.947 122.820 -0.008 0.000 2.269 218 A HA 0.789 5.109 4.320 -0.000 0.000 0.302 218 A C 0.677 178.269 177.584 0.014 0.000 1.266 218 A CA 0.361 52.396 52.037 -0.003 0.000 0.894 218 A CB 0.012 19.009 19.000 -0.005 0.000 1.147 218 A HN 2.044 nan 8.150 nan 0.000 0.537 219 G N 0.678 109.495 108.800 0.029 0.000 3.190 219 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 219 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 219 G C -0.594 174.359 174.900 0.088 0.000 1.033 219 G CA -0.125 45.005 45.100 0.050 0.000 0.797 219 G HN 1.476 nan 8.290 nan 0.000 0.567 220 Y N 2.980 123.251 120.300 -0.049 0.000 2.774 220 Y HA 0.506 5.056 4.550 -0.000 0.000 0.305 220 Y C 1.423 177.297 175.900 -0.044 0.000 1.067 220 Y CA 0.245 58.307 58.100 -0.063 0.000 1.304 220 Y CB -0.037 38.388 38.460 -0.058 0.000 1.209 220 Y HN 0.906 nan 8.280 nan 0.000 0.543 221 G N -0.025 108.704 108.800 -0.119 0.000 2.489 221 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.271 221 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.271 221 G C 0.665 175.414 174.900 -0.252 0.000 1.427 221 G CA 0.064 45.082 45.100 -0.137 0.000 1.057 221 G HN 0.260 nan 8.290 nan 0.000 0.532 222 D N -1.125 119.163 120.400 -0.187 0.000 2.149 222 D HA -0.136 4.503 4.640 -0.000 0.000 0.198 222 D C 2.708 178.879 176.300 -0.216 0.000 0.990 222 D CA 0.976 54.843 54.000 -0.223 0.000 0.839 222 D CB -0.207 40.495 40.800 -0.164 0.000 0.948 222 D HN 0.067 nan 8.370 nan 0.000 0.460 223 V N 0.980 120.809 119.914 -0.140 0.000 2.307 223 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 223 V C 2.625 178.643 176.094 -0.128 0.000 1.045 223 V CA 1.960 64.201 62.300 -0.099 0.000 1.024 223 V CB -1.022 30.782 31.823 -0.032 0.000 0.651 223 V HN 0.215 nan 8.190 nan 0.000 0.449 224 G N -0.358 108.353 108.800 -0.149 0.000 2.422 224 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 224 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 224 G C 1.673 176.410 174.900 -0.271 0.000 1.146 224 G CA 0.837 45.848 45.100 -0.148 0.000 0.769 224 G HN 0.462 nan 8.290 nan 0.000 0.547 225 K N 0.036 120.129 120.400 -0.513 0.000 2.026 225 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 225 K C 2.773 179.226 176.600 -0.245 0.000 1.048 225 K CA 1.034 56.963 56.287 -0.596 0.000 0.929 225 K CB -0.397 31.728 32.500 -0.626 0.000 0.713 225 K HN 0.276 nan 8.250 nan 0.000 0.439 226 G N 0.779 109.450 108.800 -0.216 0.000 2.402 226 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 226 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 226 G C 1.631 176.493 174.900 -0.064 0.000 1.162 226 G CA 0.943 45.961 45.100 -0.137 0.000 0.777 226 G HN 0.318 nan 8.290 nan 0.000 0.539 227 C N 0.954 120.217 119.300 -0.062 0.000 2.446 227 C HA 0.232 4.691 4.460 -0.000 0.000 0.277 227 C C 3.535 178.519 174.990 -0.010 0.000 1.275 227 C CA 0.687 59.693 59.018 -0.019 0.000 1.727 227 C CB -0.946 26.783 27.740 -0.018 0.000 2.010 227 C HN 0.557 nan 8.230 nan 0.000 0.486 228 A N -0.064 122.726 122.820 -0.050 0.000 1.908 228 A HA -0.290 4.029 4.320 -0.000 0.000 0.218 228 A C 2.150 179.781 177.584 0.079 0.000 1.181 228 A CA 2.045 54.028 52.037 -0.090 0.000 0.627 228 A CB -0.751 18.083 19.000 -0.277 0.000 0.818 228 A HN 0.733 nan 8.150 nan 0.000 0.445 229 Q N -0.832 119.033 119.800 0.108 0.000 2.046 229 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 229 Q C 2.302 178.346 176.000 0.073 0.000 0.975 229 Q CA 1.427 57.310 55.803 0.133 0.000 0.836 229 Q CB -0.336 28.450 28.738 0.081 0.000 0.896 229 Q HN 0.630 nan 8.270 nan 0.000 0.428 230 A N 0.665 123.519 122.820 0.056 0.000 1.883 230 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 230 A C 2.027 179.697 177.584 0.144 0.000 1.186 230 A CA 1.484 53.565 52.037 0.073 0.000 0.624 230 A CB -0.850 18.215 19.000 0.108 0.000 0.822 230 A HN 0.429 nan 8.150 nan 0.000 0.444 231 L N -1.306 120.007 121.223 0.150 0.000 2.056 231 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 231 L C 2.816 179.783 176.870 0.161 0.000 1.078 231 L CA 1.448 56.395 54.840 0.179 0.000 0.749 231 L CB -0.534 41.582 42.059 0.094 0.000 0.901 231 L HN 0.368 nan 8.230 nan 0.000 0.433 232 R N 0.619 121.201 120.500 0.136 0.000 2.081 232 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 232 R C 2.149 178.480 176.300 0.051 0.000 1.131 232 R CA 1.603 57.781 56.100 0.129 0.000 0.960 232 R CB -0.614 29.805 30.300 0.198 0.000 0.856 232 R HN 0.439 nan 8.270 nan 0.000 0.436 233 G N -0.877 107.909 108.800 -0.024 0.000 2.535 233 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 233 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 233 G C 0.889 175.635 174.900 -0.256 0.000 1.122 233 G CA 0.192 45.191 45.100 -0.169 0.000 0.769 233 G HN 0.256 nan 8.290 nan 0.000 0.549 234 F N -0.131 119.834 119.950 0.025 0.000 2.721 234 F HA 0.362 4.889 4.527 -0.000 0.000 0.301 234 F C 1.869 177.678 175.800 0.014 0.000 1.096 234 F CA 0.086 58.096 58.000 0.018 0.000 1.308 234 F CB 0.800 39.810 39.000 0.017 0.000 1.086 234 F HN 0.220 nan 8.300 nan 0.000 0.587 235 G N 0.176 109.071 108.800 0.158 0.000 2.143 235 G HA2 0.039 3.999 3.960 -0.000 0.000 0.175 235 G HA3 0.039 3.999 3.960 -0.000 0.000 0.175 235 G C 0.107 175.059 174.900 0.086 0.000 1.004 235 G CA -0.261 44.899 45.100 0.101 0.000 0.671 235 G HN 0.544 nan 8.290 nan 0.000 0.512 236 A N -0.130 122.751 122.820 0.101 0.000 2.293 236 A HA 0.848 5.168 4.320 -0.000 0.000 0.302 236 A C 0.511 178.131 177.584 0.059 0.000 1.119 236 A CA -0.046 52.032 52.037 0.068 0.000 0.823 236 A CB 0.641 19.682 19.000 0.069 0.000 1.097 236 A HN 0.839 nan 8.150 nan 0.000 0.491 237 R N 2.155 122.674 120.500 0.032 0.000 2.230 237 R HA 0.471 4.810 4.340 -0.000 0.000 0.337 237 R C -1.421 174.895 176.300 0.027 0.000 1.063 237 R CA -0.248 55.873 56.100 0.036 0.000 0.935 237 R CB 0.266 30.573 30.300 0.013 0.000 1.121 237 R HN 0.447 nan 8.270 nan 0.000 0.486 238 V N 6.988 126.951 119.914 0.082 0.000 2.461 238 V HA 0.270 4.390 4.120 -0.000 0.000 0.275 238 V C 0.451 176.555 176.094 0.018 0.000 1.047 238 V CA -0.285 62.032 62.300 0.028 0.000 0.955 238 V CB 1.150 32.983 31.823 0.016 0.000 0.988 238 V HN 0.700 nan 8.190 nan 0.000 0.471 239 I N 5.630 126.159 120.570 -0.069 0.000 2.441 239 I HA 0.487 4.657 4.170 -0.000 0.000 0.295 239 I C -0.532 175.516 176.117 -0.115 0.000 0.994 239 I CA -0.441 60.820 61.300 -0.065 0.000 1.144 239 I CB 1.813 39.772 38.000 -0.069 0.000 1.314 239 I HN 0.345 nan 8.210 nan 0.000 0.445 240 I N 3.841 124.342 120.570 -0.114 0.000 2.603 240 I HA 0.424 4.594 4.170 -0.000 0.000 0.300 240 I C 0.135 176.205 176.117 -0.078 0.000 1.017 240 I CA -0.452 60.769 61.300 -0.131 0.000 1.098 240 I CB 1.938 39.801 38.000 -0.229 0.000 1.279 240 I HN 0.540 nan 8.210 nan 0.000 0.437 241 T N 2.541 117.064 114.554 -0.051 0.000 2.861 241 T HA 0.714 5.064 4.350 -0.000 0.000 0.287 241 T C -0.574 174.120 174.700 -0.009 0.000 1.003 241 T CA -0.496 61.584 62.100 -0.033 0.000 0.977 241 T CB 2.743 71.589 68.868 -0.037 0.000 0.996 241 T HN 0.590 nan 8.240 nan 0.000 0.448 242 E N 1.610 121.808 120.200 -0.003 0.000 2.430 242 E HA 0.363 4.713 4.350 -0.000 0.000 0.279 242 E C 0.331 176.940 176.600 0.015 0.000 1.003 242 E CA -0.568 55.844 56.400 0.019 0.000 0.801 242 E CB 2.093 31.812 29.700 0.031 0.000 1.313 242 E HN 0.838 nan 8.360 nan 0.000 0.459 243 I N -2.740 117.845 120.570 0.024 0.000 4.187 243 I HA 0.377 4.547 4.170 -0.000 0.000 0.326 243 I C 0.555 176.685 176.117 0.021 0.000 1.302 243 I CA -0.135 61.177 61.300 0.020 0.000 1.196 243 I CB 0.689 38.703 38.000 0.024 0.000 1.095 243 I HN 0.062 nan 8.210 nan 0.000 0.411 244 D N 3.621 124.038 120.400 0.028 0.000 2.280 244 D HA 0.229 4.869 4.640 -0.000 0.000 0.243 244 D C -1.560 174.754 176.300 0.024 0.000 1.129 244 D CA -2.206 51.810 54.000 0.027 0.000 0.848 244 D CB 2.065 42.886 40.800 0.036 0.000 1.107 244 D HN 0.008 nan 8.370 nan 0.000 0.471 245 P HA -0.074 nan 4.420 nan 0.000 0.219 245 P C 1.769 179.078 177.300 0.014 0.000 1.150 245 P CA 0.702 63.808 63.100 0.010 0.000 0.814 245 P CB 0.651 32.354 31.700 0.005 0.000 0.787 246 I N 0.214 120.796 120.570 0.020 0.000 2.193 246 I HA -0.172 3.997 4.170 -0.000 0.000 0.240 246 I C 2.341 178.488 176.117 0.050 0.000 1.084 246 I CA 1.201 62.516 61.300 0.026 0.000 1.365 246 I CB -0.825 37.187 38.000 0.021 0.000 1.064 246 I HN -0.066 nan 8.210 nan 0.000 0.410 247 N N 1.217 119.960 118.700 0.072 0.000 2.289 247 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 247 N C 1.885 177.463 175.510 0.114 0.000 1.016 247 N CA 1.437 54.575 53.050 0.147 0.000 0.872 247 N CB -0.069 38.508 38.487 0.151 0.000 0.973 247 N HN 0.359 nan 8.380 nan 0.000 0.433 248 A N 1.339 124.182 122.820 0.037 0.000 1.897 248 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 248 A C 2.182 179.738 177.584 -0.047 0.000 1.181 248 A CA 0.726 52.748 52.037 -0.024 0.000 0.620 248 A CB -0.557 18.435 19.000 -0.013 0.000 0.821 248 A HN 0.142 nan 8.150 nan 0.000 0.443 249 L N 0.193 121.408 121.223 -0.014 0.000 2.131 249 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 249 L C 2.498 179.357 176.870 -0.017 0.000 1.092 249 L CA 1.974 56.804 54.840 -0.016 0.000 0.759 249 L CB -0.790 41.268 42.059 -0.003 0.000 0.903 249 L HN 0.502 nan 8.230 nan 0.000 0.435 250 Q N -1.056 118.754 119.800 0.017 0.000 2.050 250 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 250 Q C 2.263 178.245 176.000 -0.030 0.000 0.980 250 Q CA 1.632 57.475 55.803 0.066 0.000 0.840 250 Q CB -0.391 28.480 28.738 0.223 0.000 0.898 250 Q HN 0.631 nan 8.270 nan 0.000 0.424 251 A N 1.410 124.048 122.820 -0.303 0.000 1.908 251 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 251 A C 2.349 179.859 177.584 -0.124 0.000 1.181 251 A CA 1.755 53.487 52.037 -0.508 0.000 0.627 251 A CB -0.853 17.672 19.000 -0.792 0.000 0.818 251 A HN 0.406 nan 8.150 nan 0.000 0.445 252 A N -0.855 121.900 122.820 -0.108 0.000 1.877 252 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 252 A C 2.069 179.606 177.584 -0.078 0.000 1.186 252 A CA 1.993 53.987 52.037 -0.072 0.000 0.620 252 A CB -0.491 18.477 19.000 -0.054 0.000 0.822 252 A HN 0.423 nan 8.150 nan 0.000 0.443 253 M N -0.031 119.532 119.600 -0.061 0.000 2.539 253 M HA -0.038 4.442 4.480 -0.000 0.000 0.261 253 M C 0.836 177.086 176.300 -0.085 0.000 1.069 253 M CA 0.895 56.163 55.300 -0.054 0.000 1.081 253 M CB -1.015 31.571 32.600 -0.024 0.000 1.412 253 M HN 0.338 nan 8.290 nan 0.000 0.482 254 E N -0.434 119.689 120.200 -0.127 0.000 2.474 254 E HA 0.274 4.624 4.350 -0.000 0.000 0.195 254 E C 1.229 177.546 176.600 -0.473 0.000 1.039 254 E CA 0.406 56.659 56.400 -0.244 0.000 0.881 254 E CB 0.140 29.736 29.700 -0.173 0.000 0.970 254 E HN 0.572 nan 8.360 nan 0.000 0.486 255 G N 1.261 109.868 108.800 -0.322 0.000 2.136 255 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.242 255 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.242 255 G C -0.401 174.327 174.900 -0.286 0.000 0.989 255 G CA -0.114 44.813 45.100 -0.288 0.000 0.682 255 G HN 0.159 nan 8.290 nan 0.000 0.522 256 Y N 0.672 120.908 120.300 -0.107 0.000 2.320 256 Y HA 0.526 5.076 4.550 -0.000 0.000 0.334 256 Y C 0.706 176.537 175.900 -0.115 0.000 1.055 256 Y CA -1.278 56.751 58.100 -0.118 0.000 1.143 256 Y CB 1.050 39.400 38.460 -0.183 0.000 1.193 256 Y HN 0.348 nan 8.280 nan 0.000 0.477 257 E N 2.406 122.653 120.200 0.078 0.000 2.360 257 E HA 0.383 4.733 4.350 -0.000 0.000 0.269 257 E C -1.470 175.126 176.600 -0.006 0.000 1.022 257 E CA -0.315 56.094 56.400 0.016 0.000 0.887 257 E CB 0.708 30.411 29.700 0.006 0.000 0.990 257 E HN 0.441 nan 8.360 nan 0.000 0.426 258 V N 5.304 125.203 119.914 -0.025 0.000 2.350 258 V HA 0.341 4.461 4.120 -0.000 0.000 0.285 258 V C -0.150 175.926 176.094 -0.030 0.000 1.014 258 V CA -0.453 61.822 62.300 -0.042 0.000 0.831 258 V CB 1.227 33.017 31.823 -0.056 0.000 1.000 258 V HN 0.890 nan 8.190 nan 0.000 0.433 259 T N 1.123 115.659 114.554 -0.029 0.000 2.669 259 T HA 0.589 4.939 4.350 -0.000 0.000 0.283 259 T C 0.071 174.758 174.700 -0.021 0.000 1.019 259 T CA -0.658 61.430 62.100 -0.020 0.000 1.039 259 T CB 1.820 70.680 68.868 -0.014 0.000 1.374 259 T HN 0.656 nan 8.240 nan 0.000 0.523 260 T N -0.992 113.554 114.554 -0.013 0.000 2.918 260 T HA 0.417 4.767 4.350 -0.000 0.000 0.283 260 T C 1.178 175.861 174.700 -0.029 0.000 1.001 260 T CA -0.746 61.346 62.100 -0.014 0.000 1.041 260 T CB 0.935 69.805 68.868 0.003 0.000 1.028 260 T HN 0.482 nan 8.240 nan 0.000 0.511 261 M N 0.955 120.514 119.600 -0.068 0.000 2.213 261 M HA -0.023 4.457 4.480 -0.000 0.000 0.263 261 M C 1.240 177.474 176.300 -0.111 0.000 1.062 261 M CA 1.597 56.793 55.300 -0.174 0.000 1.105 261 M CB -1.106 31.253 32.600 -0.403 0.000 1.385 261 M HN 0.697 nan 8.290 nan 0.000 0.417 262 D N 0.139 120.563 120.400 0.040 0.000 2.182 262 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 262 D C 1.915 178.262 176.300 0.077 0.000 0.986 262 D CA 1.200 55.282 54.000 0.136 0.000 0.847 262 D CB -0.098 40.758 40.800 0.094 0.000 0.942 262 D HN 0.459 nan 8.370 nan 0.000 0.467 263 E N 0.104 120.327 120.200 0.039 0.000 2.099 263 E HA 0.116 4.466 4.350 -0.000 0.000 0.191 263 E C 2.122 178.745 176.600 0.038 0.000 0.962 263 E CA 0.580 56.999 56.400 0.033 0.000 0.826 263 E CB -0.366 29.345 29.700 0.018 0.000 0.788 263 E HN 0.153 nan 8.360 nan 0.000 0.461 264 A N 1.653 124.488 122.820 0.025 0.000 1.972 264 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 264 A C 2.599 180.257 177.584 0.124 0.000 1.169 264 A CA 1.683 53.741 52.037 0.035 0.000 0.635 264 A CB -1.194 17.806 19.000 -0.000 0.000 0.810 264 A HN 0.505 nan 8.150 nan 0.000 0.446 265 C N -0.036 119.351 119.300 0.145 0.000 2.403 265 C HA -0.099 4.360 4.460 -0.000 0.000 0.279 265 C C 2.276 177.403 174.990 0.227 0.000 1.269 265 C CA 1.186 60.340 59.018 0.226 0.000 1.774 265 C CB -1.312 26.440 27.740 0.020 0.000 1.993 265 C HN 0.603 nan 8.230 nan 0.000 0.496 266 K N 0.879 121.362 120.400 0.139 0.000 2.439 266 K HA -0.005 4.314 4.320 -0.000 0.000 0.197 266 K C 1.859 178.531 176.600 0.120 0.000 1.041 266 K CA 1.087 57.447 56.287 0.121 0.000 0.970 266 K CB -0.145 32.403 32.500 0.080 0.000 0.773 266 K HN 0.673 nan 8.250 nan 0.000 0.479 267 E N 0.778 121.043 120.200 0.108 0.000 2.290 267 E HA 0.036 4.386 4.350 -0.000 0.000 0.199 267 E C 0.879 177.482 176.600 0.005 0.000 0.912 267 E CA -0.143 56.287 56.400 0.051 0.000 0.924 267 E CB 0.451 30.158 29.700 0.013 0.000 0.901 267 E HN 0.240 nan 8.360 nan 0.000 0.487 268 G N 1.092 109.859 108.800 -0.056 0.000 2.484 268 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.235 268 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.235 268 G C 0.411 175.175 174.900 -0.227 0.000 1.282 268 G CA -0.166 44.681 45.100 -0.421 0.000 0.857 268 G HN 0.106 nan 8.290 nan 0.000 0.571 269 N N -0.386 118.148 118.700 -0.277 0.000 2.397 269 N HA 0.166 4.906 4.740 -0.000 0.000 0.190 269 N C 0.180 175.657 175.510 -0.056 0.000 1.099 269 N CA 0.294 53.304 53.050 -0.067 0.000 0.876 269 N CB 0.726 39.182 38.487 -0.051 0.000 1.143 269 N HN 0.441 nan 8.380 nan 0.000 0.468 270 I N 0.627 121.040 120.570 -0.262 0.000 2.607 270 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 270 I C -1.494 174.408 176.117 -0.358 0.000 1.129 270 I CA -0.632 60.593 61.300 -0.124 0.000 1.042 270 I CB 1.935 39.895 38.000 -0.066 0.000 1.242 270 I HN -0.271 nan 8.210 nan 0.000 0.421 271 F N 5.469 125.419 119.950 -0.000 0.000 2.482 271 F HA 0.657 5.184 4.527 -0.000 0.000 0.331 271 F C -0.228 175.566 175.800 -0.010 0.000 1.115 271 F CA -0.967 57.017 58.000 -0.027 0.000 0.955 271 F CB 1.980 40.944 39.000 -0.060 0.000 1.136 271 F HN -0.069 nan 8.300 nan 0.000 0.452 272 V N 1.525 121.505 119.914 0.109 0.000 2.482 272 V HA 0.411 4.531 4.120 -0.000 0.000 0.295 272 V C -0.448 175.682 176.094 0.059 0.000 1.026 272 V CA -1.006 61.340 62.300 0.076 0.000 0.856 272 V CB 1.764 33.609 31.823 0.036 0.000 1.001 272 V HN 0.811 nan 8.190 nan 0.000 0.424 273 T N -0.175 114.418 114.554 0.066 0.000 2.733 273 T HA 0.386 4.735 4.350 -0.000 0.000 0.294 273 T C 0.749 175.477 174.700 0.047 0.000 0.956 273 T CA 0.191 62.319 62.100 0.047 0.000 0.987 273 T CB 1.156 70.052 68.868 0.046 0.000 0.920 273 T HN 0.863 nan 8.240 nan 0.000 0.470 274 T N -0.261 114.313 114.554 0.033 0.000 3.084 274 T HA 0.224 4.573 4.350 -0.000 0.000 0.270 274 T C 0.737 175.457 174.700 0.033 0.000 1.008 274 T CA -0.327 61.790 62.100 0.030 0.000 0.900 274 T CB -0.154 68.717 68.868 0.005 0.000 1.084 274 T HN 0.565 nan 8.240 nan 0.000 0.538 275 T N 1.384 115.961 114.554 0.038 0.000 2.795 275 T HA 0.446 4.795 4.350 -0.000 0.000 0.314 275 T C 1.369 176.104 174.700 0.059 0.000 1.069 275 T CA 0.348 62.474 62.100 0.044 0.000 1.071 275 T CB 0.651 69.543 68.868 0.039 0.000 0.988 275 T HN 0.423 nan 8.240 nan 0.000 0.543 276 G N -0.677 108.164 108.800 0.068 0.000 3.502 276 G HA2 0.370 4.329 3.960 -0.000 0.000 0.267 276 G HA3 0.370 4.329 3.960 -0.000 0.000 0.267 276 G C 0.369 175.316 174.900 0.079 0.000 1.090 276 G CA -0.090 45.058 45.100 0.080 0.000 0.795 276 G HN 0.960 nan 8.290 nan 0.000 0.535 277 C N -0.755 118.586 119.300 0.068 0.000 3.213 277 C HA 0.829 5.289 4.460 -0.000 0.000 0.319 277 C C 0.660 175.679 174.990 0.048 0.000 1.386 277 C CA -0.739 58.313 59.018 0.057 0.000 1.494 277 C CB 1.207 28.979 27.740 0.053 0.000 1.905 277 C HN 0.452 nan 8.230 nan 0.000 0.456 278 V N 0.284 120.219 119.914 0.035 0.000 3.185 278 V HA 0.401 4.521 4.120 -0.000 0.000 0.305 278 V C 0.100 176.209 176.094 0.025 0.000 1.090 278 V CA 0.511 62.827 62.300 0.026 0.000 1.107 278 V CB 0.216 32.047 31.823 0.013 0.000 1.061 278 V HN 1.074 nan 8.190 nan 0.000 0.480 279 D N 0.270 120.684 120.400 0.024 0.000 2.705 279 D HA -0.166 4.473 4.640 -0.000 0.000 0.240 279 D C 0.555 176.869 176.300 0.022 0.000 1.137 279 D CA 0.761 54.774 54.000 0.022 0.000 0.677 279 D CB -0.701 40.111 40.800 0.019 0.000 1.049 279 D HN 0.513 nan 8.370 nan 0.000 0.427 280 I N -0.446 120.126 120.570 0.004 0.000 2.429 280 I HA 0.060 4.230 4.170 -0.000 0.000 0.247 280 I C 1.506 177.563 176.117 -0.101 0.000 1.099 280 I CA 0.755 62.036 61.300 -0.032 0.000 1.422 280 I CB -0.045 37.938 38.000 -0.029 0.000 1.112 280 I HN 0.122 nan 8.210 nan 0.000 0.430 281 I N 2.445 122.943 120.570 -0.120 0.000 2.390 281 I HA 0.211 4.381 4.170 -0.000 0.000 0.283 281 I C -0.709 175.274 176.117 -0.223 0.000 1.016 281 I CA -0.367 60.773 61.300 -0.267 0.000 1.151 281 I CB 1.425 39.125 38.000 -0.500 0.000 1.293 281 I HN -0.104 nan 8.210 nan 0.000 0.458 282 L N 4.134 125.335 121.223 -0.037 0.000 2.397 282 L HA 0.557 4.896 4.340 -0.000 0.000 0.266 282 L C 1.683 178.222 176.870 -0.552 0.000 1.040 282 L CA -0.022 54.657 54.840 -0.268 0.000 0.800 282 L CB 0.694 42.567 42.059 -0.309 0.000 1.324 282 L HN 0.546 nan 8.230 nan 0.000 0.469 283 G N -0.103 108.210 108.800 -0.813 0.000 2.422 283 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 283 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 283 G C 1.482 175.836 174.900 -0.910 0.000 1.146 283 G CA 0.891 44.956 45.100 -1.725 0.000 0.769 283 G HN 0.728 nan 8.290 nan 0.000 0.547 284 R N -0.349 119.770 120.500 -0.635 0.000 2.159 284 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 284 R C 1.980 178.024 176.300 -0.427 0.000 1.131 284 R CA 1.873 57.703 56.100 -0.451 0.000 0.982 284 R CB -0.714 29.315 30.300 -0.452 0.000 0.868 284 R HN 0.541 nan 8.270 nan 0.000 0.453 285 H N -0.812 118.028 119.070 -0.383 0.000 2.355 285 H HA 0.076 4.631 4.556 -0.000 0.000 0.303 285 H C 1.573 176.659 175.328 -0.403 0.000 1.061 285 H CA 1.242 57.051 56.048 -0.399 0.000 1.368 285 H CB -0.130 29.304 29.762 -0.547 0.000 1.412 285 H HN 0.045 nan 8.280 nan 0.000 0.523 286 F N 1.812 121.552 119.950 -0.351 0.000 2.115 286 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 286 F C 2.112 177.812 175.800 -0.168 0.000 1.092 286 F CA 1.557 59.356 58.000 -0.335 0.000 1.245 286 F CB -0.427 38.243 39.000 -0.549 0.000 0.995 286 F HN 0.250 nan 8.300 nan 0.000 0.481 287 E N -0.966 119.232 120.200 -0.003 0.000 2.333 287 E HA -0.228 4.122 4.350 -0.000 0.000 0.198 287 E C 1.921 178.548 176.600 0.045 0.000 1.007 287 E CA 0.833 57.273 56.400 0.065 0.000 0.845 287 E CB -0.165 29.566 29.700 0.051 0.000 0.766 287 E HN 0.403 nan 8.360 nan 0.000 0.507 288 Q N -0.316 119.502 119.800 0.029 0.000 2.349 288 Q HA 0.129 4.468 4.340 -0.000 0.000 0.209 288 Q C 0.354 176.433 176.000 0.131 0.000 0.920 288 Q CA 0.164 56.003 55.803 0.060 0.000 0.901 288 Q CB 0.381 29.145 28.738 0.042 0.000 1.021 288 Q HN 0.170 nan 8.270 nan 0.000 0.519 289 M N 1.850 121.521 119.600 0.118 0.000 2.235 289 M HA -0.077 4.403 4.480 -0.000 0.000 0.336 289 M C 0.069 176.537 176.300 0.280 0.000 1.146 289 M CA 0.822 56.228 55.300 0.177 0.000 1.018 289 M CB 0.215 32.858 32.600 0.073 0.000 1.694 289 M HN -0.027 nan 8.290 nan 0.000 0.451 290 K N 1.450 121.974 120.400 0.207 0.000 2.276 290 K HA 0.032 4.352 4.320 -0.000 0.000 0.259 290 K C -0.363 176.183 176.600 -0.090 0.000 1.001 290 K CA -0.447 55.874 56.287 0.056 0.000 0.927 290 K CB 0.215 32.748 32.500 0.055 0.000 0.969 290 K HN 0.511 nan 8.250 nan 0.000 0.490 291 D N 1.403 121.535 120.400 -0.446 0.000 2.525 291 D HA -0.094 4.546 4.640 -0.000 0.000 0.235 291 D C -0.151 176.105 176.300 -0.073 0.000 1.137 291 D CA 0.876 54.669 54.000 -0.346 0.000 0.868 291 D CB 0.245 40.818 40.800 -0.378 0.000 1.180 291 D HN 0.489 nan 8.370 nan 0.000 0.465 292 D N 1.018 121.425 120.400 0.012 0.000 2.870 292 D HA -0.189 4.450 4.640 -0.000 0.000 0.228 292 D C -0.756 175.601 176.300 0.096 0.000 1.147 292 D CA 0.976 55.011 54.000 0.058 0.000 0.757 292 D CB -1.256 39.563 40.800 0.031 0.000 1.091 292 D HN 0.526 nan 8.370 nan 0.000 0.429 293 A N 0.419 123.323 122.820 0.142 0.000 2.450 293 A HA 0.446 4.766 4.320 -0.000 0.000 0.255 293 A C 0.775 178.498 177.584 0.233 0.000 1.096 293 A CA -0.044 52.128 52.037 0.226 0.000 0.778 293 A CB 0.375 19.574 19.000 0.332 0.000 1.031 293 A HN 0.334 nan 8.150 nan 0.000 0.494 294 I N 3.432 124.139 120.570 0.227 0.000 2.337 294 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 294 I C -0.474 175.806 176.117 0.272 0.000 1.046 294 I CA -0.181 61.239 61.300 0.200 0.000 1.324 294 I CB 1.162 39.240 38.000 0.130 0.000 1.409 294 I HN 0.291 nan 8.210 nan 0.000 0.494 295 V N 6.521 126.582 119.914 0.245 0.000 2.459 295 V HA 0.539 4.659 4.120 -0.000 0.000 0.295 295 V C -0.115 176.094 176.094 0.192 0.000 1.029 295 V CA -0.451 61.993 62.300 0.240 0.000 0.874 295 V CB 1.561 33.513 31.823 0.215 0.000 0.985 295 V HN 0.995 nan 8.190 nan 0.000 0.438 296 C N 2.749 122.152 119.300 0.171 0.000 3.239 296 C HA 0.846 5.306 4.460 -0.000 0.000 0.317 296 C C -0.963 174.102 174.990 0.125 0.000 1.310 296 C CA -0.990 58.112 59.018 0.141 0.000 1.371 296 C CB 1.225 29.038 27.740 0.122 0.000 1.714 296 C HN 0.882 nan 8.230 nan 0.000 0.473 297 N N 0.001 118.773 118.700 0.119 0.000 2.269 297 N HA 0.709 5.449 4.740 -0.000 0.000 0.304 297 N C -0.633 174.940 175.510 0.105 0.000 1.072 297 N CA -0.734 52.380 53.050 0.107 0.000 0.802 297 N CB 1.843 40.398 38.487 0.112 0.000 1.348 297 N HN 0.933 nan 8.380 nan 0.000 0.484 298 I N 0.926 121.551 120.570 0.091 0.000 4.338 298 I HA 0.494 4.664 4.170 -0.000 0.000 0.329 298 I C 0.545 176.714 176.117 0.087 0.000 1.378 298 I CA -0.302 61.052 61.300 0.089 0.000 1.170 298 I CB 0.169 38.217 38.000 0.079 0.000 1.206 298 I HN 0.652 nan 8.210 nan 0.000 0.432 299 G N -0.389 108.463 108.800 0.087 0.000 2.442 299 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.249 299 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.249 299 G C 0.616 175.585 174.900 0.114 0.000 1.263 299 G CA 0.089 45.242 45.100 0.088 0.000 0.846 299 G HN 0.374 nan 8.290 nan 0.000 0.555 300 H N 1.746 120.783 119.070 -0.055 0.000 2.375 300 H HA -0.192 4.363 4.556 -0.000 0.000 0.289 300 H C 0.359 175.590 175.328 -0.161 0.000 1.121 300 H CA 1.370 57.319 56.048 -0.164 0.000 1.207 300 H CB -0.187 29.360 29.762 -0.359 0.000 1.355 300 H HN 0.329 nan 8.280 nan 0.000 0.486 301 F N -0.074 119.827 119.950 -0.081 0.000 2.461 301 F HA 0.190 4.717 4.527 -0.000 0.000 0.332 301 F C 1.242 177.009 175.800 -0.056 0.000 1.073 301 F CA -0.857 57.040 58.000 -0.172 0.000 1.017 301 F CB 0.820 39.707 39.000 -0.188 0.000 1.301 301 F HN 0.158 nan 8.300 nan 0.000 0.492 302 D N 0.004 120.517 120.400 0.189 0.000 2.587 302 D HA 0.026 4.665 4.640 -0.000 0.000 0.233 302 D C 0.711 177.049 176.300 0.063 0.000 1.213 302 D CA 0.253 54.316 54.000 0.105 0.000 0.827 302 D CB -0.404 40.442 40.800 0.076 0.000 1.006 302 D HN 0.289 nan 8.370 nan 0.000 0.490 303 V N -3.429 116.521 119.914 0.061 0.000 3.647 303 V HA 0.214 4.334 4.120 -0.000 0.000 0.279 303 V C 1.540 177.662 176.094 0.047 0.000 1.314 303 V CA 0.119 62.433 62.300 0.024 0.000 1.125 303 V CB -0.280 31.531 31.823 -0.019 0.000 0.907 303 V HN -0.015 nan 8.190 nan 0.000 0.434 304 E N 1.228 121.469 120.200 0.068 0.000 2.170 304 E HA 0.241 4.591 4.350 -0.000 0.000 0.191 304 E C 0.350 176.978 176.600 0.047 0.000 0.981 304 E CA 0.640 57.074 56.400 0.056 0.000 0.830 304 E CB 0.271 30.009 29.700 0.062 0.000 0.775 304 E HN 0.606 nan 8.360 nan 0.000 0.470 305 I N 1.689 122.305 120.570 0.076 0.000 2.412 305 I HA 0.099 4.269 4.170 -0.000 0.000 0.296 305 I C -0.291 175.919 176.117 0.155 0.000 0.987 305 I CA -0.750 60.613 61.300 0.104 0.000 1.180 305 I CB 1.468 39.560 38.000 0.153 0.000 1.340 305 I HN -0.203 nan 8.210 nan 0.000 0.455 306 D N 5.669 126.201 120.400 0.219 0.000 2.470 306 D HA 0.142 4.781 4.640 -0.000 0.000 0.226 306 D C 0.826 177.280 176.300 0.258 0.000 1.196 306 D CA 0.009 54.149 54.000 0.233 0.000 0.979 306 D CB 0.898 41.839 40.800 0.235 0.000 1.059 306 D HN 0.250 nan 8.370 nan 0.000 0.515 307 V N 3.551 123.554 119.914 0.148 0.000 2.591 307 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 307 V C 2.071 178.181 176.094 0.027 0.000 1.053 307 V CA 1.203 63.535 62.300 0.053 0.000 1.068 307 V CB -0.339 31.536 31.823 0.086 0.000 0.689 307 V HN 0.360 nan 8.190 nan 0.000 0.462 308 K N -0.034 120.412 120.400 0.077 0.000 2.032 308 K HA -0.249 4.070 4.320 -0.000 0.000 0.209 308 K C 1.722 178.348 176.600 0.043 0.000 1.048 308 K CA 1.991 58.311 56.287 0.055 0.000 0.927 308 K CB -0.832 31.706 32.500 0.064 0.000 0.712 308 K HN 0.601 nan 8.250 nan 0.000 0.441 309 W N 1.428 122.679 121.300 -0.082 0.000 2.318 309 W HA -0.175 4.485 4.660 -0.000 0.000 0.313 309 W C 1.588 177.964 176.519 -0.238 0.000 1.221 309 W CA 1.486 58.766 57.345 -0.108 0.000 1.266 309 W CB -0.229 29.208 29.460 -0.038 0.000 1.150 309 W HN -0.004 nan 8.180 nan 0.000 0.496 310 L N 0.749 121.963 121.223 -0.015 0.000 2.012 310 L HA -0.331 4.009 4.340 -0.000 0.000 0.210 310 L C 2.256 178.891 176.870 -0.391 0.000 1.073 310 L CA 1.814 56.380 54.840 -0.457 0.000 0.748 310 L CB -0.978 40.439 42.059 -1.071 0.000 0.891 310 L HN 0.077 nan 8.230 nan 0.000 0.431 311 N N 0.038 118.632 118.700 -0.177 0.000 2.223 311 N HA -0.174 4.566 4.740 -0.000 0.000 0.185 311 N C 1.349 176.801 175.510 -0.097 0.000 1.016 311 N CA 1.209 54.268 53.050 0.016 0.000 0.863 311 N CB -0.091 38.431 38.487 0.059 0.000 0.983 311 N HN 0.493 nan 8.380 nan 0.000 0.429 312 E N -0.657 119.410 120.200 -0.223 0.000 2.481 312 E HA 0.191 4.541 4.350 -0.000 0.000 0.198 312 E C 0.538 176.881 176.600 -0.430 0.000 1.027 312 E CA -0.046 56.197 56.400 -0.261 0.000 0.900 312 E CB 0.364 29.938 29.700 -0.211 0.000 0.993 312 E HN 0.332 nan 8.360 nan 0.000 0.482 313 N N 0.321 118.624 118.700 -0.661 0.000 2.266 313 N HA 0.102 4.841 4.740 -0.000 0.000 0.217 313 N C 0.246 175.454 175.510 -0.503 0.000 1.211 313 N CA 0.068 52.636 53.050 -0.804 0.000 0.881 313 N CB 0.896 38.312 38.487 -1.784 0.000 1.153 313 N HN -0.034 nan 8.380 nan 0.000 0.489 314 A N 1.234 123.833 122.820 -0.368 0.000 2.498 314 A HA 0.185 4.504 4.320 -0.000 0.000 0.239 314 A C 1.619 179.166 177.584 -0.062 0.000 1.068 314 A CA -0.099 51.870 52.037 -0.113 0.000 0.766 314 A CB 0.535 19.592 19.000 0.095 0.000 1.003 314 A HN -0.031 nan 8.150 nan 0.000 0.497 315 V N 1.419 121.321 119.914 -0.021 0.000 2.407 315 V HA -0.088 4.032 4.120 -0.000 0.000 0.248 315 V C 1.007 177.096 176.094 -0.009 0.000 1.055 315 V CA 2.496 64.785 62.300 -0.018 0.000 1.049 315 V CB -0.983 30.841 31.823 0.003 0.000 0.662 315 V HN 1.065 nan 8.190 nan 0.000 0.455 316 E N -0.921 119.286 120.200 0.012 0.000 2.388 316 E HA 0.464 4.813 4.350 -0.000 0.000 0.280 316 E C -0.898 175.690 176.600 -0.020 0.000 1.019 316 E CA -0.978 55.417 56.400 -0.007 0.000 0.806 316 E CB 1.532 31.223 29.700 -0.015 0.000 1.246 316 E HN 0.145 nan 8.360 nan 0.000 0.443 317 K N 1.927 122.269 120.400 -0.098 0.000 2.345 317 K HA 0.577 4.897 4.320 -0.000 0.000 0.255 317 K C -1.814 174.646 176.600 -0.234 0.000 0.934 317 K CA -0.783 55.328 56.287 -0.293 0.000 0.801 317 K CB 2.106 34.329 32.500 -0.463 0.000 1.137 317 K HN 0.366 nan 8.250 nan 0.000 0.424 318 V N 4.251 124.021 119.914 -0.240 0.000 2.531 318 V HA 0.252 4.372 4.120 -0.000 0.000 0.301 318 V C -0.451 175.548 176.094 -0.159 0.000 1.034 318 V CA -1.080 61.130 62.300 -0.150 0.000 0.865 318 V CB 1.541 33.310 31.823 -0.089 0.000 0.995 318 V HN 0.913 nan 8.190 nan 0.000 0.424 319 N N 4.620 123.246 118.700 -0.123 0.000 2.458 319 N HA 0.161 4.901 4.740 -0.000 0.000 0.270 319 N C 0.432 175.904 175.510 -0.064 0.000 1.102 319 N CA -0.479 52.512 53.050 -0.098 0.000 0.967 319 N CB 1.368 39.809 38.487 -0.075 0.000 1.078 319 N HN 0.524 nan 8.380 nan 0.000 0.471 320 I N 2.480 123.019 120.570 -0.051 0.000 2.494 320 I HA -0.026 4.144 4.170 -0.000 0.000 0.250 320 I C 0.886 176.987 176.117 -0.027 0.000 1.112 320 I CA 1.329 62.610 61.300 -0.032 0.000 1.438 320 I CB -0.861 37.127 38.000 -0.020 0.000 1.111 320 I HN 0.701 nan 8.210 nan 0.000 0.431 321 K N -0.456 119.926 120.400 -0.031 0.000 2.755 321 K HA 0.371 4.691 4.320 -0.000 0.000 0.294 321 K C -3.144 173.431 176.600 -0.041 0.000 1.060 321 K CA -1.432 54.838 56.287 -0.028 0.000 0.845 321 K CB 0.447 32.935 32.500 -0.020 0.000 1.539 321 K HN -0.382 nan 8.250 nan 0.000 0.379 322 P HA -0.020 nan 4.420 nan 0.000 0.261 322 P C -0.833 176.401 177.300 -0.110 0.000 1.173 322 P CA 0.763 63.815 63.100 -0.080 0.000 0.760 322 P CB 0.302 31.962 31.700 -0.067 0.000 0.783 323 Q N -0.579 119.120 119.800 -0.168 0.000 2.481 323 Q HA -0.143 4.197 4.340 -0.000 0.000 0.258 323 Q C -0.791 175.175 176.000 -0.057 0.000 0.961 323 Q CA 1.017 56.718 55.803 -0.171 0.000 1.121 323 Q CB -2.109 26.497 28.738 -0.220 0.000 1.503 323 Q HN 0.280 nan 8.270 nan 0.000 0.544 324 V N 0.785 120.677 119.914 -0.038 0.000 2.509 324 V HA 0.444 4.564 4.120 -0.000 0.000 0.289 324 V C -0.522 175.562 176.094 -0.016 0.000 1.026 324 V CA -0.861 61.436 62.300 -0.004 0.000 0.872 324 V CB 2.047 33.868 31.823 -0.004 0.000 1.017 324 V HN 0.063 nan 8.190 nan 0.000 0.436 325 D N 3.316 123.718 120.400 0.004 0.000 2.481 325 D HA 0.500 5.140 4.640 -0.000 0.000 0.244 325 D C -0.425 175.849 176.300 -0.044 0.000 1.057 325 D CA -0.644 53.305 54.000 -0.085 0.000 0.848 325 D CB 2.959 43.651 40.800 -0.180 0.000 1.388 325 D HN 0.358 nan 8.370 nan 0.000 0.475 326 R N 2.158 122.585 120.500 -0.123 0.000 2.320 326 R HA 0.285 4.624 4.340 -0.000 0.000 0.319 326 R C -1.103 175.151 176.300 -0.076 0.000 0.969 326 R CA -0.544 55.547 56.100 -0.016 0.000 0.857 326 R CB 0.353 30.652 30.300 -0.002 0.000 1.160 326 R HN 0.313 nan 8.270 nan 0.000 0.491 327 Y N 3.269 123.578 120.300 0.016 0.000 2.310 327 Y HA 0.288 4.838 4.550 -0.000 0.000 0.326 327 Y C 0.003 175.917 175.900 0.024 0.000 1.151 327 Y CA -0.732 57.369 58.100 0.002 0.000 1.195 327 Y CB 1.189 39.634 38.460 -0.025 0.000 1.210 327 Y HN 0.410 nan 8.280 nan 0.000 0.483 328 L N 4.406 125.727 121.223 0.164 0.000 2.287 328 L HA 0.540 4.880 4.340 -0.000 0.000 0.287 328 L C -1.339 175.601 176.870 0.117 0.000 1.022 328 L CA -0.350 54.563 54.840 0.122 0.000 0.814 328 L CB 0.454 42.556 42.059 0.071 0.000 1.217 328 L HN 0.542 nan 8.230 nan 0.000 0.420 329 L N 4.649 125.953 121.223 0.134 0.000 2.399 329 L HA 0.420 4.760 4.340 -0.000 0.000 0.265 329 L C 1.324 178.238 176.870 0.074 0.000 1.089 329 L CA -0.786 54.122 54.840 0.113 0.000 0.802 329 L CB 1.047 43.212 42.059 0.176 0.000 1.180 329 L HN 0.684 nan 8.230 nan 0.000 0.454 330 K N 1.027 121.453 120.400 0.044 0.000 2.160 330 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 330 K C 1.424 178.035 176.600 0.019 0.000 1.047 330 K CA 1.694 57.994 56.287 0.022 0.000 0.930 330 K CB -0.210 32.295 32.500 0.009 0.000 0.720 330 K HN 0.642 nan 8.250 nan 0.000 0.450 331 N N 0.009 118.715 118.700 0.011 0.000 2.571 331 N HA -0.055 4.685 4.740 -0.000 0.000 0.189 331 N C 0.997 176.484 175.510 -0.039 0.000 1.154 331 N CA 1.186 54.201 53.050 -0.059 0.000 0.907 331 N CB 0.099 38.484 38.487 -0.170 0.000 0.977 331 N HN 0.265 nan 8.380 nan 0.000 0.449 332 G N -1.004 107.828 108.800 0.052 0.000 2.157 332 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 332 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 332 G C -0.475 174.577 174.900 0.253 0.000 0.979 332 G CA 0.124 45.295 45.100 0.119 0.000 0.650 332 G HN 0.663 nan 8.290 nan 0.000 0.529 333 H N 0.013 119.129 119.070 0.077 0.000 2.473 333 H HA 0.592 5.148 4.556 -0.000 0.000 0.327 333 H C 0.426 175.815 175.328 0.101 0.000 1.105 333 H CA -0.919 55.181 56.048 0.088 0.000 1.280 333 H CB 0.959 30.780 29.762 0.098 0.000 1.450 333 H HN 0.089 nan 8.280 nan 0.000 0.492 334 R N 1.823 122.431 120.500 0.181 0.000 2.500 334 R HA 0.380 4.720 4.340 -0.000 0.000 0.277 334 R C -0.675 175.726 176.300 0.167 0.000 1.026 334 R CA -0.453 55.738 56.100 0.151 0.000 1.058 334 R CB 0.748 31.107 30.300 0.098 0.000 1.078 334 R HN 0.472 nan 8.270 nan 0.000 0.509 335 I N 3.519 124.208 120.570 0.197 0.000 2.512 335 I HA 0.319 4.488 4.170 -0.000 0.000 0.287 335 I C -0.471 175.790 176.117 0.240 0.000 1.069 335 I CA -0.537 60.891 61.300 0.213 0.000 1.056 335 I CB 1.749 39.869 38.000 0.200 0.000 1.229 335 I HN 0.542 nan 8.210 nan 0.000 0.429 336 I N 6.274 126.964 120.570 0.201 0.000 2.291 336 I HA 0.269 4.438 4.170 -0.000 0.000 0.290 336 I C 0.025 176.268 176.117 0.210 0.000 1.050 336 I CA -0.272 61.139 61.300 0.184 0.000 1.245 336 I CB 1.134 39.209 38.000 0.126 0.000 1.405 336 I HN 0.282 nan 8.210 nan 0.000 0.478 337 L N 7.499 128.879 121.223 0.261 0.000 2.312 337 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 337 L C -0.683 176.296 176.870 0.182 0.000 1.070 337 L CA -0.574 54.416 54.840 0.250 0.000 0.805 337 L CB 1.301 43.573 42.059 0.355 0.000 1.174 337 L HN 0.523 nan 8.230 nan 0.000 0.434 338 L N 4.717 126.033 121.223 0.156 0.000 2.329 338 L HA 0.435 4.775 4.340 -0.000 0.000 0.279 338 L C 0.997 177.936 176.870 0.115 0.000 1.014 338 L CA -0.568 54.339 54.840 0.113 0.000 0.814 338 L CB 1.592 43.711 42.059 0.101 0.000 1.257 338 L HN 0.871 nan 8.230 nan 0.000 0.424 339 A N 2.310 125.171 122.820 0.068 0.000 2.799 339 A HA -0.261 4.059 4.320 -0.000 0.000 0.287 339 A C 0.873 178.570 177.584 0.189 0.000 1.484 339 A CA 1.386 53.462 52.037 0.066 0.000 0.813 339 A CB -1.924 17.148 19.000 0.121 0.000 1.009 339 A HN 1.011 nan 8.150 nan 0.000 0.545 340 E N -3.718 116.587 120.200 0.175 0.000 2.539 340 E HA -0.201 4.149 4.350 -0.000 0.000 0.253 340 E C 1.234 177.963 176.600 0.216 0.000 1.145 340 E CA 1.430 57.967 56.400 0.228 0.000 0.738 340 E CB -1.752 28.133 29.700 0.308 0.000 1.308 340 E HN 2.500 nan 8.360 nan 0.000 0.409 341 G N -0.568 108.347 108.800 0.192 0.000 2.159 341 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.256 341 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.256 341 G C 0.275 175.274 174.900 0.165 0.000 0.977 341 G CA 0.579 45.780 45.100 0.168 0.000 0.652 341 G HN 0.290 nan 8.290 nan 0.000 0.531 342 R N -1.144 119.477 120.500 0.202 0.000 2.700 342 R HA 0.672 5.012 4.340 -0.000 0.000 0.253 342 R C 0.408 176.821 176.300 0.189 0.000 1.091 342 R CA -1.179 55.042 56.100 0.203 0.000 1.104 342 R CB 0.296 30.764 30.300 0.279 0.000 1.202 342 R HN 0.053 nan 8.270 nan 0.000 0.532 343 L N 1.675 123.007 121.223 0.182 0.000 2.700 343 L HA -0.123 4.217 4.340 -0.000 0.000 0.276 343 L C 1.324 178.277 176.870 0.138 0.000 1.200 343 L CA 0.803 55.732 54.840 0.148 0.000 0.951 343 L CB 0.202 42.344 42.059 0.139 0.000 1.226 343 L HN 0.541 nan 8.230 nan 0.000 0.489 344 V N 4.847 124.831 119.914 0.116 0.000 2.453 344 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 344 V C 2.069 178.215 176.094 0.088 0.000 1.048 344 V CA 1.786 64.147 62.300 0.102 0.000 1.049 344 V CB -0.292 31.588 31.823 0.095 0.000 0.672 344 V HN 1.108 nan 8.190 nan 0.000 0.457 345 N N 0.570 119.320 118.700 0.085 0.000 2.142 345 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 345 N C 1.708 177.256 175.510 0.062 0.000 1.023 345 N CA 2.098 55.198 53.050 0.083 0.000 0.852 345 N CB -0.744 37.813 38.487 0.117 0.000 0.998 345 N HN 0.507 nan 8.380 nan 0.000 0.424 346 L N -0.445 120.801 121.223 0.038 0.000 2.375 346 L HA 0.221 4.561 4.340 -0.000 0.000 0.215 346 L C 2.396 179.330 176.870 0.106 0.000 1.108 346 L CA 0.784 55.644 54.840 0.034 0.000 0.830 346 L CB -0.206 41.825 42.059 -0.046 0.000 0.959 346 L HN 0.330 nan 8.230 nan 0.000 0.457 347 G N -1.953 106.923 108.800 0.127 0.000 2.595 347 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.213 347 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.213 347 G C 1.211 176.146 174.900 0.059 0.000 1.141 347 G CA 0.412 45.596 45.100 0.142 0.000 0.806 347 G HN 0.382 nan 8.290 nan 0.000 0.530 348 C N 0.058 119.392 119.300 0.056 0.000 3.336 348 C HA 0.783 5.243 4.460 -0.000 0.000 0.291 348 C C 1.235 176.252 174.990 0.044 0.000 1.363 348 C CA 0.020 59.058 59.018 0.034 0.000 1.737 348 C CB -0.637 27.124 27.740 0.035 0.000 2.274 348 C HN 0.581 nan 8.230 nan 0.000 0.663 349 A N -0.129 122.726 122.820 0.059 0.000 2.566 349 A HA 0.760 5.079 4.320 -0.000 0.000 0.291 349 A C -0.080 177.547 177.584 0.072 0.000 1.278 349 A CA -0.188 51.888 52.037 0.064 0.000 0.711 349 A CB 0.325 19.367 19.000 0.069 0.000 1.332 349 A HN 0.025 nan 8.150 nan 0.000 0.478 350 M N 1.119 120.766 119.600 0.078 0.000 2.626 350 M HA 0.297 4.777 4.480 -0.000 0.000 0.262 350 M C 0.968 177.312 176.300 0.073 0.000 1.256 350 M CA 0.868 56.217 55.300 0.082 0.000 0.981 350 M CB -1.121 31.535 32.600 0.093 0.000 1.492 350 M HN 1.505 nan 8.290 nan 0.000 0.474 351 G N 0.974 109.810 108.800 0.060 0.000 2.645 351 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.239 351 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.239 351 G C -0.545 174.438 174.900 0.139 0.000 1.331 351 G CA -0.493 44.622 45.100 0.024 0.000 0.890 351 G HN 0.652 nan 8.290 nan 0.000 0.572 352 H N 1.373 120.438 119.070 -0.009 0.000 2.690 352 H HA 0.351 4.907 4.556 -0.000 0.000 0.365 352 H C -1.733 173.607 175.328 0.020 0.000 1.142 352 H CA -0.843 55.206 56.048 0.002 0.000 1.417 352 H CB 0.489 30.232 29.762 -0.032 0.000 1.446 352 H HN 0.352 nan 8.280 nan 0.000 0.599 353 P HA -0.019 nan 4.420 nan 0.000 0.272 353 P C 0.259 177.631 177.300 0.121 0.000 1.240 353 P CA -0.065 63.111 63.100 0.128 0.000 0.791 353 P CB 0.749 32.520 31.700 0.119 0.000 0.978 354 S N 0.145 115.918 115.700 0.122 0.000 2.356 354 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 354 S C 1.606 176.280 174.600 0.124 0.000 1.032 354 S CA 1.062 59.328 58.200 0.110 0.000 1.005 354 S CB -1.181 62.088 63.200 0.115 0.000 0.867 354 S HN 0.479 nan 8.310 nan 0.000 0.449 355 F N 2.009 121.981 119.950 0.036 0.000 2.087 355 F HA -0.190 4.337 4.527 -0.001 0.000 0.299 355 F C 2.389 178.187 175.800 -0.004 0.000 1.100 355 F CA 1.367 59.395 58.000 0.047 0.000 1.226 355 F CB -0.568 38.455 39.000 0.037 0.000 0.983 355 F HN 0.049 nan 8.300 nan 0.000 0.479 356 V N 0.046 120.009 119.914 0.081 0.000 2.548 356 V HA -0.228 3.891 4.120 -0.000 0.000 0.249 356 V C 2.148 178.140 176.094 -0.169 0.000 1.055 356 V CA 1.383 63.657 62.300 -0.044 0.000 1.065 356 V CB -0.189 31.685 31.823 0.086 0.000 0.681 356 V HN 0.297 nan 8.190 nan 0.000 0.462 357 M N -0.570 118.924 119.600 -0.177 0.000 2.296 357 M HA -0.055 4.424 4.480 -0.000 0.000 0.265 357 M C 2.427 178.437 176.300 -0.483 0.000 1.064 357 M CA 1.742 56.766 55.300 -0.460 0.000 1.109 357 M CB -1.562 30.772 32.600 -0.443 0.000 1.396 357 M HN 0.465 nan 8.290 nan 0.000 0.430 358 S N 0.606 116.181 115.700 -0.209 0.000 2.382 358 S HA -0.156 4.314 4.470 -0.000 0.000 0.228 358 S C 1.722 176.296 174.600 -0.043 0.000 1.027 358 S CA 1.658 59.842 58.200 -0.027 0.000 0.991 358 S CB -0.097 63.139 63.200 0.061 0.000 0.823 358 S HN 0.472 nan 8.310 nan 0.000 0.469 359 N N 1.051 119.556 118.700 -0.326 0.000 2.058 359 N HA -0.011 4.728 4.740 -0.000 0.000 0.191 359 N C 1.995 177.402 175.510 -0.171 0.000 1.037 359 N CA 1.827 54.642 53.050 -0.391 0.000 0.848 359 N CB -0.473 37.689 38.487 -0.542 0.000 1.021 359 N HN 0.358 nan 8.380 nan 0.000 0.422 360 S N 0.198 115.782 115.700 -0.194 0.000 2.356 360 S HA -0.067 4.403 4.470 -0.000 0.000 0.223 360 S C 1.610 176.270 174.600 0.100 0.000 1.032 360 S CA 0.875 59.018 58.200 -0.096 0.000 1.005 360 S CB -0.472 62.602 63.200 -0.210 0.000 0.867 360 S HN 0.232 nan 8.310 nan 0.000 0.449 361 F N 2.268 122.224 119.950 0.009 0.000 2.234 361 F HA -0.025 4.502 4.527 -0.001 0.000 0.299 361 F C 2.732 178.543 175.800 0.018 0.000 1.087 361 F CA 0.409 58.420 58.000 0.018 0.000 1.340 361 F CB -1.886 37.119 39.000 0.008 0.000 1.031 361 F HN 0.157 nan 8.300 nan 0.000 0.500 362 T N -0.166 114.508 114.554 0.199 0.000 2.777 362 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 362 T C 1.973 176.736 174.700 0.106 0.000 1.040 362 T CA 1.259 63.438 62.100 0.132 0.000 1.141 362 T CB -0.301 68.642 68.868 0.125 0.000 0.868 362 T HN 0.246 nan 8.240 nan 0.000 0.444 363 N N 0.802 119.557 118.700 0.093 0.000 2.149 363 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 363 N C 2.085 177.649 175.510 0.090 0.000 1.019 363 N CA 0.947 54.044 53.050 0.079 0.000 0.857 363 N CB -0.099 38.427 38.487 0.065 0.000 0.997 363 N HN 0.400 nan 8.380 nan 0.000 0.426 364 Q N 0.715 120.594 119.800 0.131 0.000 2.050 364 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 364 Q C 2.346 178.382 176.000 0.060 0.000 0.980 364 Q CA 0.878 56.749 55.803 0.114 0.000 0.840 364 Q CB -0.500 28.346 28.738 0.179 0.000 0.898 364 Q HN 0.220 nan 8.270 nan 0.000 0.424 365 V N 1.125 121.074 119.914 0.060 0.000 2.392 365 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 365 V C 2.400 178.487 176.094 -0.012 0.000 1.059 365 V CA 1.679 63.988 62.300 0.015 0.000 1.051 365 V CB -0.593 31.244 31.823 0.024 0.000 0.658 365 V HN 0.338 nan 8.190 nan 0.000 0.455 366 M N -0.122 119.487 119.600 0.014 0.000 2.117 366 M HA -0.149 4.331 4.480 -0.000 0.000 0.262 366 M C 2.370 178.669 176.300 -0.002 0.000 1.065 366 M CA 2.100 57.403 55.300 0.005 0.000 1.114 366 M CB -0.544 32.084 32.600 0.046 0.000 1.361 366 M HN 0.407 nan 8.290 nan 0.000 0.408 367 A N -0.350 122.469 122.820 -0.002 0.000 1.930 367 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 367 A C 2.096 179.638 177.584 -0.070 0.000 1.175 367 A CA 1.193 53.202 52.037 -0.046 0.000 0.627 367 A CB -0.487 18.494 19.000 -0.032 0.000 0.815 367 A HN 0.424 nan 8.150 nan 0.000 0.443 368 Q N -0.297 119.479 119.800 -0.041 0.000 2.084 368 Q HA -0.090 4.249 4.340 -0.000 0.000 0.202 368 Q C 2.084 178.083 176.000 -0.002 0.000 0.978 368 Q CA 1.397 57.178 55.803 -0.037 0.000 0.844 368 Q CB -0.374 28.335 28.738 -0.049 0.000 0.898 368 Q HN 0.783 nan 8.270 nan 0.000 0.426 369 I N 0.704 121.255 120.570 -0.032 0.000 2.353 369 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 369 I C 2.251 178.352 176.117 -0.027 0.000 1.119 369 I CA 0.751 62.027 61.300 -0.040 0.000 1.417 369 I CB -0.098 37.806 38.000 -0.160 0.000 1.078 369 I HN 0.098 nan 8.210 nan 0.000 0.421 370 E N 0.610 120.813 120.200 0.004 0.000 2.017 370 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 370 E C 2.257 178.873 176.600 0.028 0.000 0.997 370 E CA 1.195 57.660 56.400 0.108 0.000 0.804 370 E CB -0.396 29.338 29.700 0.057 0.000 0.757 370 E HN 0.236 nan 8.360 nan 0.000 0.448 371 L N 0.332 121.460 121.223 -0.158 0.000 2.042 371 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 371 L C 2.165 179.070 176.870 0.059 0.000 1.076 371 L CA 1.489 56.255 54.840 -0.123 0.000 0.749 371 L CB -1.273 40.706 42.059 -0.133 0.000 0.893 371 L HN 0.381 nan 8.230 nan 0.000 0.432 372 W N -0.104 121.121 121.300 -0.124 0.000 2.452 372 W HA -0.184 4.475 4.660 -0.001 0.000 0.313 372 W C 2.168 178.608 176.519 -0.131 0.000 1.176 372 W CA 1.560 58.835 57.345 -0.117 0.000 1.350 372 W CB -0.029 29.355 29.460 -0.126 0.000 1.148 372 W HN 0.068 nan 8.180 nan 0.000 0.498 373 T N -0.477 113.956 114.554 -0.201 0.000 2.812 373 T HA -0.148 4.201 4.350 -0.000 0.000 0.264 373 T C -0.388 174.011 174.700 -0.503 0.000 1.042 373 T CA 1.229 63.056 62.100 -0.455 0.000 1.140 373 T CB -0.329 68.221 68.868 -0.530 0.000 0.870 373 T HN 0.113 nan 8.240 nan 0.000 0.445 374 H N 0.406 119.474 119.070 -0.003 0.000 2.418 374 H HA 0.255 4.811 4.556 -0.001 0.000 0.238 374 H C -1.845 173.544 175.328 0.101 0.000 1.403 374 H CA -1.976 54.089 56.048 0.029 0.000 1.419 374 H CB 1.295 31.104 29.762 0.078 0.000 1.463 374 H HN 0.160 nan 8.280 nan 0.000 0.515 375 P HA -0.146 nan 4.420 nan 0.000 0.215 375 P C 0.737 178.091 177.300 0.089 0.000 1.157 375 P CA 1.039 64.184 63.100 0.076 0.000 0.859 375 P CB 0.574 32.240 31.700 -0.056 0.000 0.786 376 D N -0.205 120.209 120.400 0.023 0.000 2.403 376 D HA -0.118 4.522 4.640 -0.000 0.000 0.227 376 D C 1.736 177.994 176.300 -0.070 0.000 0.995 376 D CA 0.707 54.698 54.000 -0.015 0.000 0.928 376 D CB -0.076 40.708 40.800 -0.027 0.000 0.887 376 D HN 0.317 nan 8.370 nan 0.000 0.529 377 K N 0.001 120.338 120.400 -0.105 0.000 2.361 377 K HA -0.042 4.278 4.320 -0.000 0.000 0.196 377 K C -0.303 175.856 176.600 -0.734 0.000 1.039 377 K CA 0.262 56.311 56.287 -0.398 0.000 1.001 377 K CB 0.416 32.632 32.500 -0.475 0.000 0.795 377 K HN 0.081 nan 8.250 nan 0.000 0.495 378 Y N 2.031 122.220 120.300 -0.185 0.000 2.749 378 Y HA 0.302 4.851 4.550 -0.001 0.000 0.343 378 Y C -2.291 173.560 175.900 -0.082 0.000 1.015 378 Y CA -2.751 55.136 58.100 -0.355 0.000 1.270 378 Y CB 0.971 39.237 38.460 -0.324 0.000 1.097 378 Y HN 0.058 nan 8.280 nan 0.000 0.571 379 P HA 0.037 nan 4.420 nan 0.000 0.272 379 P C -0.016 177.444 177.300 0.266 0.000 1.240 379 P CA -0.225 62.973 63.100 0.163 0.000 0.791 379 P CB 1.310 33.084 31.700 0.122 0.000 0.978 380 V N 0.751 120.760 119.914 0.157 0.000 2.539 380 V HA 0.367 4.487 4.120 -0.000 0.000 0.300 380 V C 1.260 177.409 176.094 0.092 0.000 1.019 380 V CA 1.769 64.144 62.300 0.126 0.000 1.160 380 V CB -0.948 30.921 31.823 0.078 0.000 0.901 380 V HN 1.117 nan 8.190 nan 0.000 0.481 381 G N 3.323 112.140 108.800 0.029 0.000 2.341 381 G HA2 0.343 4.302 3.960 -0.000 0.000 0.293 381 G HA3 0.343 4.302 3.960 -0.000 0.000 0.293 381 G C -1.364 173.335 174.900 -0.336 0.000 1.298 381 G CA -0.103 44.907 45.100 -0.150 0.000 0.868 381 G HN 1.206 nan 8.290 nan 0.000 0.540 382 V N 0.618 120.251 119.914 -0.468 0.000 2.384 382 V HA 0.839 4.959 4.120 -0.000 0.000 0.287 382 V C -0.268 175.455 176.094 -0.619 0.000 1.020 382 V CA -0.443 61.557 62.300 -0.500 0.000 0.850 382 V CB 0.436 31.892 31.823 -0.611 0.000 0.987 382 V HN 0.930 nan 8.190 nan 0.000 0.436 383 H N 5.545 124.529 119.070 -0.144 0.000 2.693 383 H HA 0.757 5.312 4.556 -0.000 0.000 0.348 383 H C -1.118 174.106 175.328 -0.173 0.000 1.222 383 H CA -0.591 55.405 56.048 -0.087 0.000 1.270 383 H CB 1.236 31.129 29.762 0.218 0.000 1.798 383 H HN 0.613 nan 8.280 nan 0.000 0.592 384 F N -0.100 120.037 119.950 0.312 0.000 2.541 384 F HA 0.331 4.858 4.527 -0.000 0.000 0.331 384 F C -0.378 175.551 175.800 0.214 0.000 1.057 384 F CA -1.009 57.119 58.000 0.213 0.000 0.975 384 F CB 0.885 39.993 39.000 0.181 0.000 1.246 384 F HN 0.176 nan 8.300 nan 0.000 0.484 385 L N 4.113 125.564 121.223 0.381 0.000 2.371 385 L HA 0.425 4.765 4.340 -0.000 0.000 0.272 385 L C -1.970 175.026 176.870 0.211 0.000 1.124 385 L CA -2.250 52.742 54.840 0.253 0.000 0.816 385 L CB -0.112 42.052 42.059 0.175 0.000 1.129 385 L HN 0.328 nan 8.230 nan 0.000 0.448 386 P HA 0.022 nan 4.420 nan 0.000 0.269 386 P C 0.176 177.525 177.300 0.083 0.000 1.209 386 P CA -0.276 62.892 63.100 0.114 0.000 0.776 386 P CB 0.660 32.407 31.700 0.080 0.000 0.876 387 K N 1.792 122.230 120.400 0.064 0.000 2.113 387 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 387 K C 1.913 178.534 176.600 0.035 0.000 1.047 387 K CA 1.442 57.762 56.287 0.056 0.000 0.928 387 K CB -0.053 32.479 32.500 0.053 0.000 0.716 387 K HN 0.171 nan 8.250 nan 0.000 0.446 388 K N 0.773 121.181 120.400 0.013 0.000 2.063 388 K HA -0.122 4.197 4.320 -0.000 0.000 0.208 388 K C 1.963 178.579 176.600 0.027 0.000 1.048 388 K CA 1.342 57.626 56.287 -0.005 0.000 0.928 388 K CB -0.317 32.174 32.500 -0.015 0.000 0.713 388 K HN 0.257 nan 8.250 nan 0.000 0.442 389 L N 0.421 121.672 121.223 0.047 0.000 2.109 389 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 389 L C 2.208 179.107 176.870 0.049 0.000 1.086 389 L CA 0.971 55.847 54.840 0.060 0.000 0.760 389 L CB -0.440 41.667 42.059 0.079 0.000 0.910 389 L HN 0.131 nan 8.230 nan 0.000 0.437 390 D N 0.598 121.024 120.400 0.044 0.000 2.104 390 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 390 D C 2.045 178.348 176.300 0.004 0.000 0.994 390 D CA 1.388 55.397 54.000 0.016 0.000 0.830 390 D CB 0.144 40.953 40.800 0.016 0.000 0.959 390 D HN 0.367 nan 8.370 nan 0.000 0.452 391 E N 0.184 120.408 120.200 0.041 0.000 2.106 391 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 391 E C 2.118 178.757 176.600 0.065 0.000 0.984 391 E CA 0.808 57.253 56.400 0.075 0.000 0.806 391 E CB -0.073 29.704 29.700 0.128 0.000 0.750 391 E HN 0.239 nan 8.360 nan 0.000 0.458 392 A N 1.297 124.149 122.820 0.054 0.000 1.933 392 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 392 A C 2.527 180.142 177.584 0.052 0.000 1.175 392 A CA 1.157 53.228 52.037 0.056 0.000 0.628 392 A CB -0.640 18.395 19.000 0.059 0.000 0.814 392 A HN 0.117 nan 8.150 nan 0.000 0.444 393 V N -0.303 119.634 119.914 0.037 0.000 2.343 393 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 393 V C 3.013 179.137 176.094 0.051 0.000 1.051 393 V CA 1.914 64.239 62.300 0.042 0.000 1.036 393 V CB -1.178 30.634 31.823 -0.018 0.000 0.654 393 V HN 0.618 nan 8.190 nan 0.000 0.451 394 A N -0.792 122.002 122.820 -0.044 0.000 1.897 394 A HA -0.188 4.131 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 1.498 53.481 52.037 -0.090 0.000 0.620 394 A CB -0.490 18.439 19.000 -0.119 0.000 0.821 394 A HN 0.460 nan 8.150 nan 0.000 0.443 395 E N 0.270 120.509 120.200 0.065 0.000 2.097 395 E HA -0.227 4.122 4.350 -0.000 0.000 0.196 395 E C 2.196 178.829 176.600 0.056 0.000 1.000 395 E CA 1.373 57.816 56.400 0.072 0.000 0.804 395 E CB -0.345 29.400 29.700 0.074 0.000 0.740 395 E HN 0.500 nan 8.360 nan 0.000 0.454 396 A N 0.048 122.888 122.820 0.033 0.000 2.076 396 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 396 A C 1.420 178.875 177.584 -0.216 0.000 1.160 396 A CA 1.705 53.686 52.037 -0.094 0.000 0.653 396 A CB -0.627 18.275 19.000 -0.163 0.000 0.801 396 A HN 0.299 nan 8.150 nan 0.000 0.455 397 H N -2.064 116.978 119.070 -0.045 0.000 2.622 397 H HA 0.260 4.816 4.556 -0.000 0.000 0.269 397 H C 1.402 176.823 175.328 0.155 0.000 0.977 397 H CA -0.054 55.999 56.048 0.009 0.000 1.179 397 H CB 0.218 29.855 29.762 -0.209 0.000 1.458 397 H HN 0.295 nan 8.280 nan 0.000 0.531 398 L N 0.322 121.652 121.223 0.177 0.000 2.046 398 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 398 L C 2.566 179.499 176.870 0.105 0.000 1.077 398 L CA 1.879 56.800 54.840 0.136 0.000 0.747 398 L CB -1.124 40.987 42.059 0.087 0.000 0.896 398 L HN 0.431 nan 8.230 nan 0.000 0.432 399 G N -0.767 108.079 108.800 0.076 0.000 2.491 399 G HA2 -0.402 3.557 3.960 -0.000 0.000 0.218 399 G HA3 -0.402 3.557 3.960 -0.000 0.000 0.218 399 G C 1.753 176.689 174.900 0.060 0.000 1.180 399 G CA 1.209 46.339 45.100 0.051 0.000 0.774 399 G HN 0.316 nan 8.290 nan 0.000 0.562 400 K N 0.308 120.768 120.400 0.101 0.000 2.113 400 K HA 0.031 4.351 4.320 -0.000 0.000 0.208 400 K C 2.324 178.943 176.600 0.032 0.000 1.047 400 K CA 1.017 57.362 56.287 0.098 0.000 0.928 400 K CB -0.432 32.205 32.500 0.228 0.000 0.716 400 K HN 0.378 nan 8.250 nan 0.000 0.446 401 L N -0.304 120.946 121.223 0.045 0.000 2.554 401 L HA 0.099 4.438 4.340 -0.000 0.000 0.226 401 L C 0.398 177.262 176.870 -0.011 0.000 1.137 401 L CA 0.421 55.244 54.840 -0.029 0.000 0.863 401 L CB -0.506 41.549 42.059 -0.008 0.000 0.985 401 L HN 0.409 nan 8.230 nan 0.000 0.451 402 N N -0.937 117.771 118.700 0.013 0.000 2.776 402 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 402 N C -0.267 175.250 175.510 0.011 0.000 1.111 402 N CA -0.055 53.000 53.050 0.008 0.000 0.711 402 N CB -0.623 37.860 38.487 -0.005 0.000 1.065 402 N HN -0.001 nan 8.380 nan 0.000 0.556 403 V N 1.074 121.002 119.914 0.024 0.000 2.614 403 V HA 0.131 4.251 4.120 -0.000 0.000 0.291 403 V C 0.619 176.725 176.094 0.020 0.000 1.049 403 V CA 0.319 62.633 62.300 0.024 0.000 1.038 403 V CB 1.488 33.336 31.823 0.041 0.000 0.980 403 V HN 0.044 nan 8.190 nan 0.000 0.481 404 K N 5.211 125.618 120.400 0.011 0.000 2.404 404 K HA 0.406 4.726 4.320 -0.000 0.000 0.257 404 K C -0.807 175.794 176.600 0.002 0.000 1.026 404 K CA -0.809 55.482 56.287 0.007 0.000 0.951 404 K CB 1.666 34.167 32.500 0.002 0.000 1.203 404 K HN 0.362 nan 8.250 nan 0.000 0.446 405 L N 1.875 123.100 121.223 0.003 0.000 2.452 405 L HA 0.144 4.484 4.340 -0.000 0.000 0.267 405 L C 0.142 176.999 176.870 -0.023 0.000 1.188 405 L CA 0.742 55.574 54.840 -0.012 0.000 0.821 405 L CB 1.015 43.071 42.059 -0.004 0.000 1.102 405 L HN 0.496 nan 8.230 nan 0.000 0.470 406 T N 3.029 117.554 114.554 -0.048 0.000 2.907 406 T HA 0.399 4.749 4.350 -0.000 0.000 0.284 406 T C -0.547 174.120 174.700 -0.055 0.000 1.004 406 T CA -0.513 61.559 62.100 -0.047 0.000 1.063 406 T CB 1.154 69.989 68.868 -0.055 0.000 0.992 406 T HN 0.346 nan 8.240 nan 0.000 0.483 407 K N 2.322 122.707 120.400 -0.025 0.000 2.358 407 K HA 0.496 4.815 4.320 -0.000 0.000 0.260 407 K C -0.879 175.724 176.600 0.005 0.000 0.956 407 K CA -0.757 55.530 56.287 -0.000 0.000 0.834 407 K CB 0.544 33.057 32.500 0.023 0.000 1.102 407 K HN 0.232 nan 8.250 nan 0.000 0.431 408 L N 3.030 124.265 121.223 0.020 0.000 2.506 408 L HA 0.115 4.454 4.340 -0.000 0.000 0.281 408 L C 0.562 177.455 176.870 0.039 0.000 1.228 408 L CA 0.749 55.608 54.840 0.033 0.000 0.850 408 L CB 0.400 42.506 42.059 0.078 0.000 1.110 408 L HN 0.887 nan 8.230 nan 0.000 0.496 409 T N -0.742 113.829 114.554 0.029 0.000 2.874 409 T HA 0.191 4.541 4.350 -0.000 0.000 0.281 409 T C 0.983 175.705 174.700 0.038 0.000 0.994 409 T CA -0.707 61.408 62.100 0.025 0.000 1.015 409 T CB 0.958 69.832 68.868 0.011 0.000 1.028 409 T HN 0.535 nan 8.240 nan 0.000 0.523 410 E N 0.438 120.657 120.200 0.033 0.000 2.118 410 E HA -0.165 4.184 4.350 -0.000 0.000 0.195 410 E C 1.902 178.529 176.600 0.045 0.000 0.992 410 E CA 1.339 57.762 56.400 0.038 0.000 0.804 410 E CB -0.204 29.513 29.700 0.028 0.000 0.741 410 E HN 0.795 nan 8.360 nan 0.000 0.458 411 K N 0.218 120.641 120.400 0.038 0.000 2.026 411 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 411 K C 2.277 178.921 176.600 0.074 0.000 1.048 411 K CA 1.472 57.785 56.287 0.043 0.000 0.929 411 K CB 0.013 32.522 32.500 0.015 0.000 0.713 411 K HN 0.079 nan 8.250 nan 0.000 0.439 412 Q N -0.230 119.605 119.800 0.058 0.000 2.016 412 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 412 Q C 2.128 178.211 176.000 0.138 0.000 0.978 412 Q CA 1.597 57.454 55.803 0.090 0.000 0.833 412 Q CB -0.205 28.560 28.738 0.045 0.000 0.895 412 Q HN 0.422 nan 8.270 nan 0.000 0.427 413 A N 0.797 123.677 122.820 0.101 0.000 1.958 413 A HA -0.275 4.044 4.320 -0.000 0.000 0.221 413 A C 2.038 179.677 177.584 0.090 0.000 1.178 413 A CA 1.517 53.614 52.037 0.100 0.000 0.642 413 A CB -0.464 18.587 19.000 0.086 0.000 0.816 413 A HN 0.306 nan 8.150 nan 0.000 0.453 414 Q N -1.971 117.885 119.800 0.093 0.000 2.049 414 Q HA -0.156 4.184 4.340 -0.000 0.000 0.198 414 Q C 2.017 178.077 176.000 0.100 0.000 0.971 414 Q CA 1.733 57.585 55.803 0.080 0.000 0.833 414 Q CB -0.507 28.277 28.738 0.076 0.000 0.896 414 Q HN 0.855 nan 8.270 nan 0.000 0.434 415 Y N 1.301 121.608 120.300 0.012 0.000 2.128 415 Y HA -0.197 4.353 4.550 0.000 0.000 0.284 415 Y C 2.027 177.933 175.900 0.010 0.000 1.154 415 Y CA 1.453 59.559 58.100 0.009 0.000 1.149 415 Y CB -0.291 38.173 38.460 0.007 0.000 0.976 415 Y HN 0.011 nan 8.280 nan 0.000 0.505 416 L N -0.459 120.817 121.223 0.088 0.000 2.376 416 L HA 0.058 4.398 4.340 -0.000 0.000 0.219 416 L C 1.612 178.461 176.870 -0.035 0.000 1.133 416 L CA 0.809 55.649 54.840 -0.001 0.000 0.816 416 L CB -0.860 41.253 42.059 0.089 0.000 0.933 416 L HN 0.537 nan 8.230 nan 0.000 0.449 417 G N 1.396 110.189 108.800 -0.012 0.000 2.225 417 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.264 417 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.264 417 G C 0.026 174.926 174.900 -0.001 0.000 1.060 417 G CA 0.680 45.771 45.100 -0.016 0.000 0.833 417 G HN 0.422 nan 8.290 nan 0.000 0.498 418 M N -2.078 117.537 119.600 0.026 0.000 2.631 418 M HA 0.841 5.321 4.480 -0.000 0.000 0.288 418 M C -3.051 173.271 176.300 0.037 0.000 1.260 418 M CA -2.528 52.787 55.300 0.025 0.000 0.842 418 M CB 1.960 34.592 32.600 0.053 0.000 1.743 418 M HN -0.097 nan 8.290 nan 0.000 0.461 419 P HA 0.286 nan 4.420 nan 0.000 0.277 419 P C 0.735 178.074 177.300 0.065 0.000 1.240 419 P CA -0.596 62.504 63.100 0.001 0.000 0.798 419 P CB 0.648 32.313 31.700 -0.058 0.000 0.979 420 I N 0.692 121.316 120.570 0.090 0.000 2.248 420 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 420 I C 1.013 177.281 176.117 0.252 0.000 1.107 420 I CA 1.909 63.307 61.300 0.163 0.000 1.373 420 I CB -0.849 37.212 38.000 0.101 0.000 1.055 420 I HN 0.419 nan 8.210 nan 0.000 0.418 421 N N 0.188 118.931 118.700 0.072 0.000 2.516 421 N HA 0.069 4.809 4.740 -0.000 0.000 0.197 421 N C 1.186 176.431 175.510 -0.441 0.000 1.064 421 N CA 0.483 53.520 53.050 -0.023 0.000 0.866 421 N CB -0.483 38.002 38.487 -0.004 0.000 1.255 421 N HN 0.224 nan 8.380 nan 0.000 0.447 422 G N 3.212 111.820 108.800 -0.320 0.000 2.669 422 G HA2 -0.039 3.920 3.960 -0.000 0.000 0.227 422 G HA3 -0.039 3.920 3.960 -0.000 0.000 0.227 422 G C -2.290 172.209 174.900 -0.669 0.000 1.210 422 G CA -0.397 44.489 45.100 -0.357 0.000 0.855 422 G HN 0.063 nan 8.290 nan 0.000 0.551 423 P HA -0.075 nan 4.420 nan 0.000 0.261 423 P C -0.007 177.046 177.300 -0.413 0.000 1.165 423 P CA 0.457 63.315 63.100 -0.404 0.000 0.759 423 P CB 0.170 31.773 31.700 -0.163 0.000 0.772 424 F N 1.618 121.552 119.950 -0.027 0.000 2.765 424 F HA 0.173 4.699 4.527 -0.001 0.000 0.302 424 F C 1.349 177.043 175.800 -0.178 0.000 1.111 424 F CA 0.693 58.647 58.000 -0.076 0.000 1.359 424 F CB 0.021 38.987 39.000 -0.056 0.000 1.097 424 F HN 0.056 nan 8.300 nan 0.000 0.577 425 K N 0.641 121.007 120.400 -0.055 0.000 2.502 425 K HA 0.379 4.699 4.320 -0.000 0.000 0.257 425 K C -2.871 173.627 176.600 -0.171 0.000 0.938 425 K CA -1.800 54.334 56.287 -0.255 0.000 0.819 425 K CB 2.000 34.178 32.500 -0.536 0.000 1.333 425 K HN -0.272 nan 8.250 nan 0.000 0.434 426 P HA 0.097 nan 4.420 nan 0.000 0.272 426 P C -0.022 177.141 177.300 -0.228 0.000 1.240 426 P CA -0.103 62.836 63.100 -0.267 0.000 0.791 426 P CB 0.674 32.064 31.700 -0.516 0.000 0.978 427 D N -0.371 119.963 120.400 -0.110 0.000 2.218 427 D HA -0.161 4.479 4.640 -0.000 0.000 0.204 427 D C 1.597 177.902 176.300 0.008 0.000 0.976 427 D CA 1.379 55.373 54.000 -0.010 0.000 0.853 427 D CB -0.369 40.462 40.800 0.052 0.000 0.939 427 D HN 0.626 nan 8.370 nan 0.000 0.481 428 H N -1.606 117.499 119.070 0.059 0.000 2.539 428 H HA -0.036 4.519 4.556 -0.000 0.000 0.267 428 H C 0.246 175.598 175.328 0.040 0.000 0.982 428 H CA -0.362 55.708 56.048 0.037 0.000 1.146 428 H CB -0.761 29.015 29.762 0.023 0.000 1.382 428 H HN 0.063 nan 8.280 nan 0.000 0.577 429 Y N 3.228 123.357 120.300 -0.285 0.000 2.620 429 Y HA 0.007 4.557 4.550 0.000 0.000 0.330 429 Y C 1.122 176.953 175.900 -0.115 0.000 1.186 429 Y CA 0.149 58.088 58.100 -0.268 0.000 1.467 429 Y CB 0.522 38.697 38.460 -0.475 0.000 1.262 429 Y HN 0.056 nan 8.280 nan 0.000 0.550 430 R N 3.788 123.933 120.500 -0.592 0.000 2.362 430 R HA 0.092 4.432 4.340 -0.000 0.000 0.227 430 R C -0.701 175.503 176.300 -0.160 0.000 0.905 430 R CA -0.158 55.794 56.100 -0.246 0.000 1.067 430 R CB -0.010 30.175 30.300 -0.192 0.000 1.078 430 R HN 0.793 nan 8.270 nan 0.000 0.516 431 Y N 0.000 119.879 120.300 -0.702 0.000 2.660 431 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 431 Y CA 0.000 57.973 58.100 -0.212 0.000 1.940 431 Y CB 0.000 38.506 38.460 0.076 0.000 1.050 431 Y HN 0.000 nan 8.280 nan 0.000 0.758