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 2iz0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAQANFGVVG MAVMGKNLAL NVESRGYTVA IYNRTTSKTE EVFKEHQDKN DATA SEQUENCE LVFTKTLEEF VGSLEKPRRI MLMVQAGAAT DATIKSLLPL LDIGDILIDG DATA SEQUENCE GNTHFPDTMR RNAELADSGI NFIGTGVSGG EKGALLGPSM MPGGQKEAYD DATA SEQUENCE LVAPIFEQIA AKAPQDGKPC VAYMGANGAG HYVKMVHNGI EYGDMQLIAE DATA SEQUENCE SYDLLKRILG LSNAEIQAIF EEWNEGELDS YLIEITKEVL KRKDDEGEGY DATA SEQUENCE IVDKILDKAG NKGTGKWTSE SALDLGVPLP LITESVFARY ISTYKDERVK DATA SEQUENCE ASKVLSGPAL DFSGDKKEVI EKIRKALYFS KIMSYAQGFA QLRKASEEFD DATA SEQUENCE WDLPYGTIAQ IWRAGCIIRA EFLQNITDAF DKDSELENLL LDDYFVDITK DATA SEQUENCE RYQEAVRDVV SLAVQAGTPI PTFTSAISYY DSYRSENLPA NLIQAQRDYF DATA SEQUENCE GAHTYERTDK AGIFHYDWYT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 A N 0.464 123.272 122.820 -0.021 0.000 2.081 2 A HA -0.032 4.287 4.320 -0.000 0.000 0.213 2 A C 1.272 178.849 177.584 -0.012 0.000 1.374 2 A CA 0.690 52.709 52.037 -0.030 0.000 1.203 2 A CB -0.555 18.427 19.000 -0.030 0.000 0.786 2 A HN 0.815 nan 8.150 nan 0.000 0.535 3 Q N -0.111 119.691 119.800 0.004 0.000 2.291 3 Q HA 0.058 4.398 4.340 -0.000 0.000 0.205 3 Q C 1.011 177.031 176.000 0.033 0.000 0.970 3 Q CA 0.860 56.678 55.803 0.026 0.000 0.876 3 Q CB -0.140 28.624 28.738 0.042 0.000 0.935 3 Q HN 0.731 nan 8.270 nan 0.000 0.455 4 A N 0.704 123.530 122.820 0.009 0.000 2.328 4 A HA 0.215 4.534 4.320 -0.000 0.000 0.284 4 A C -0.151 177.448 177.584 0.025 0.000 1.160 4 A CA -0.520 51.531 52.037 0.022 0.000 0.818 4 A CB 0.331 19.316 19.000 -0.026 0.000 1.087 4 A HN 0.278 nan 8.150 nan 0.000 0.504 5 N N 0.458 119.215 118.700 0.095 0.000 2.424 5 N HA 0.229 4.969 4.740 -0.000 0.000 0.178 5 N C -0.634 174.940 175.510 0.108 0.000 1.060 5 N CA 0.659 53.769 53.050 0.101 0.000 0.901 5 N CB 0.268 38.877 38.487 0.203 0.000 0.979 5 N HN 0.628 nan 8.380 nan 0.000 0.451 6 F N -0.735 119.166 119.950 -0.082 0.000 2.654 6 F HA 0.624 5.151 4.527 -0.000 0.000 0.308 6 F C -1.026 174.759 175.800 -0.025 0.000 1.108 6 F CA -0.902 57.047 58.000 -0.085 0.000 0.957 6 F CB 1.775 40.697 39.000 -0.130 0.000 1.309 6 F HN -0.172 nan 8.300 nan 0.000 0.446 7 G N 2.460 111.039 108.800 -0.368 0.000 2.687 7 G HA2 0.590 4.550 3.960 -0.000 0.000 0.301 7 G HA3 0.590 4.550 3.960 -0.000 0.000 0.301 7 G C -2.413 172.584 174.900 0.161 0.000 1.416 7 G CA -0.713 44.376 45.100 -0.018 0.000 1.005 7 G HN 0.563 nan 8.290 nan 0.000 0.509 8 V N 2.286 122.421 119.914 0.369 0.000 2.409 8 V HA 0.476 4.596 4.120 -0.000 0.000 0.291 8 V C -0.099 176.044 176.094 0.081 0.000 1.020 8 V CA -0.786 61.651 62.300 0.229 0.000 0.848 8 V CB 1.593 33.555 31.823 0.232 0.000 0.990 8 V HN 0.568 nan 8.190 nan 0.000 0.430 9 V N 3.589 123.478 119.914 -0.041 0.000 2.394 9 V HA 0.902 5.022 4.120 -0.000 0.000 0.282 9 V C 0.593 176.672 176.094 -0.025 0.000 1.031 9 V CA 0.298 62.511 62.300 -0.145 0.000 0.881 9 V CB 1.033 32.726 31.823 -0.217 0.000 0.982 9 V HN 1.302 nan 8.190 nan 0.000 0.451 10 G N 5.662 114.445 108.800 -0.030 0.000 3.373 10 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.685 10 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.685 10 G C -0.547 174.349 174.900 -0.008 0.000 1.166 10 G CA -0.718 44.370 45.100 -0.019 0.000 1.063 10 G HN 0.425 nan 8.290 nan 0.000 0.481 11 M N 1.587 121.171 119.600 -0.025 0.000 2.673 11 M HA 0.389 4.869 4.480 -0.000 0.000 0.334 11 M C 1.313 177.621 176.300 0.013 0.000 1.211 11 M CA 0.087 55.389 55.300 0.005 0.000 0.962 11 M CB 0.129 32.730 32.600 0.001 0.000 1.343 11 M HN 0.980 nan 8.290 nan 0.000 0.511 12 A N 0.434 123.258 122.820 0.007 0.000 2.256 12 A HA 0.310 4.630 4.320 -0.000 0.000 0.276 12 A C 1.602 179.199 177.584 0.022 0.000 1.259 12 A CA 0.006 52.050 52.037 0.012 0.000 0.813 12 A CB 0.012 19.016 19.000 0.006 0.000 1.200 12 A HN 0.141 nan 8.150 nan 0.000 0.506 13 V N -0.534 119.392 119.914 0.020 0.000 2.278 13 V HA -0.273 3.847 4.120 -0.000 0.000 0.251 13 V C 2.247 178.355 176.094 0.023 0.000 1.062 13 V CA 2.886 65.200 62.300 0.023 0.000 1.038 13 V CB -0.607 31.226 31.823 0.018 0.000 0.646 13 V HN 0.703 nan 8.190 nan 0.000 0.447 14 M N -0.061 119.550 119.600 0.019 0.000 2.156 14 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 14 M C 2.312 178.628 176.300 0.027 0.000 1.067 14 M CA 1.905 57.215 55.300 0.017 0.000 1.131 14 M CB -2.009 30.599 32.600 0.013 0.000 1.368 14 M HN 0.484 nan 8.290 nan 0.000 0.416 15 G N 0.130 108.951 108.800 0.035 0.000 2.402 15 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 15 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 15 G C 1.698 176.633 174.900 0.059 0.000 1.162 15 G CA 1.084 46.216 45.100 0.052 0.000 0.777 15 G HN 0.478 nan 8.290 nan 0.000 0.539 16 K N 0.544 120.974 120.400 0.050 0.000 2.020 16 K HA -0.147 4.173 4.320 -0.000 0.000 0.212 16 K C 2.259 178.877 176.600 0.031 0.000 1.050 16 K CA 1.639 57.958 56.287 0.053 0.000 0.929 16 K CB -0.250 32.286 32.500 0.061 0.000 0.714 16 K HN 0.186 nan 8.250 nan 0.000 0.443 17 N N 0.737 119.451 118.700 0.024 0.000 2.188 17 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 17 N C 1.963 177.475 175.510 0.004 0.000 1.018 17 N CA 1.092 54.146 53.050 0.007 0.000 0.858 17 N CB -0.117 38.376 38.487 0.010 0.000 0.989 17 N HN 0.235 nan 8.380 nan 0.000 0.426 18 L N 1.001 122.235 121.223 0.019 0.000 2.083 18 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 18 L C 2.503 179.399 176.870 0.043 0.000 1.083 18 L CA 0.898 55.751 54.840 0.022 0.000 0.752 18 L CB -0.425 41.660 42.059 0.043 0.000 0.899 18 L HN 0.103 nan 8.230 nan 0.000 0.433 19 A N -0.143 122.723 122.820 0.077 0.000 1.883 19 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 19 A C 2.096 179.707 177.584 0.046 0.000 1.186 19 A CA 1.602 53.702 52.037 0.105 0.000 0.624 19 A CB -0.675 18.396 19.000 0.119 0.000 0.822 19 A HN 0.263 nan 8.150 nan 0.000 0.444 20 L N 0.584 121.800 121.223 -0.012 0.000 2.083 20 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 20 L C 2.291 179.143 176.870 -0.030 0.000 1.083 20 L CA 1.887 56.688 54.840 -0.065 0.000 0.752 20 L CB -1.402 40.571 42.059 -0.143 0.000 0.899 20 L HN 0.538 nan 8.230 nan 0.000 0.433 21 N N 0.020 118.708 118.700 -0.020 0.000 2.043 21 N HA -0.157 4.583 4.740 -0.000 0.000 0.193 21 N C 1.847 177.351 175.510 -0.010 0.000 1.037 21 N CA 1.786 54.825 53.050 -0.019 0.000 0.851 21 N CB -0.153 38.316 38.487 -0.030 0.000 1.027 21 N HN 0.157 nan 8.380 nan 0.000 0.422 22 V N 1.545 121.443 119.914 -0.027 0.000 2.343 22 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 22 V C 2.538 178.694 176.094 0.104 0.000 1.051 22 V CA 1.695 63.971 62.300 -0.039 0.000 1.036 22 V CB -0.628 31.071 31.823 -0.206 0.000 0.654 22 V HN 0.407 nan 8.190 nan 0.000 0.451 23 E N 1.024 121.275 120.200 0.085 0.000 2.110 23 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 23 E C 2.409 179.047 176.600 0.064 0.000 0.988 23 E CA 1.760 58.221 56.400 0.102 0.000 0.804 23 E CB -0.163 29.578 29.700 0.069 0.000 0.745 23 E HN 0.720 nan 8.360 nan 0.000 0.458 24 S N 0.065 115.785 115.700 0.033 0.000 2.474 24 S HA -0.034 4.435 4.470 -0.000 0.000 0.235 24 S C 1.523 176.123 174.600 0.001 0.000 0.997 24 S CA 0.229 58.435 58.200 0.010 0.000 0.949 24 S CB -0.103 63.098 63.200 0.001 0.000 0.766 24 S HN 0.102 nan 8.310 nan 0.000 0.517 25 R N 1.208 121.726 120.500 0.029 0.000 2.313 25 R HA 0.289 4.629 4.340 -0.000 0.000 0.199 25 R C 1.439 177.616 176.300 -0.206 0.000 0.958 25 R CA 0.415 56.508 56.100 -0.012 0.000 1.047 25 R CB -1.149 29.224 30.300 0.121 0.000 0.955 25 R HN 0.669 nan 8.270 nan 0.000 0.481 26 G N 0.405 109.099 108.800 -0.175 0.000 2.167 26 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.194 26 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.194 26 G C -0.684 173.997 174.900 -0.365 0.000 1.027 26 G CA -0.450 44.490 45.100 -0.265 0.000 0.717 26 G HN 0.244 nan 8.290 nan 0.000 0.501 27 Y N -0.322 119.982 120.300 0.007 0.000 2.562 27 Y HA 0.717 5.268 4.550 0.000 0.000 0.343 27 Y C 0.855 176.784 175.900 0.048 0.000 1.025 27 Y CA -0.706 57.409 58.100 0.026 0.000 1.082 27 Y CB 1.829 40.301 38.460 0.021 0.000 1.264 27 Y HN 0.066 nan 8.280 nan 0.000 0.478 28 T N 2.460 117.159 114.554 0.242 0.000 2.799 28 T HA 0.530 4.880 4.350 -0.000 0.000 0.286 28 T C -0.820 173.997 174.700 0.195 0.000 0.973 28 T CA -0.524 61.683 62.100 0.179 0.000 1.035 28 T CB 0.434 69.382 68.868 0.134 0.000 0.932 28 T HN 0.302 nan 8.240 nan 0.000 0.469 29 V N 2.865 122.894 119.914 0.192 0.000 2.409 29 V HA 0.669 4.789 4.120 -0.000 0.000 0.291 29 V C 0.357 176.571 176.094 0.200 0.000 1.020 29 V CA -1.215 61.214 62.300 0.215 0.000 0.848 29 V CB 1.405 33.367 31.823 0.231 0.000 0.990 29 V HN 1.074 nan 8.190 nan 0.000 0.430 30 A N 6.537 129.456 122.820 0.164 0.000 2.388 30 A HA 0.820 5.140 4.320 -0.000 0.000 0.257 30 A C -0.229 177.575 177.584 0.366 0.000 1.095 30 A CA -0.248 51.899 52.037 0.183 0.000 0.791 30 A CB 0.180 19.149 19.000 -0.050 0.000 1.029 30 A HN 1.027 nan 8.150 nan 0.000 0.489 31 I N -0.611 120.167 120.570 0.347 0.000 2.608 31 I HA 0.831 5.001 4.170 -0.000 0.000 0.295 31 I C -1.104 175.126 176.117 0.189 0.000 1.049 31 I CA -0.924 60.544 61.300 0.281 0.000 1.063 31 I CB 2.062 40.189 38.000 0.212 0.000 1.248 31 I HN 0.670 nan 8.210 nan 0.000 0.424 32 Y N 4.154 124.369 120.300 -0.142 0.000 2.552 32 Y HA 0.616 5.166 4.550 -0.000 0.000 0.337 32 Y C -1.695 174.060 175.900 -0.243 0.000 1.094 32 Y CA -0.625 57.295 58.100 -0.301 0.000 1.028 32 Y CB 2.210 40.296 38.460 -0.623 0.000 1.321 32 Y HN 0.890 nan 8.280 nan 0.000 0.456 33 N N 2.463 120.524 118.700 -1.065 0.000 2.396 33 N HA 0.313 5.053 4.740 -0.000 0.000 0.275 33 N C 0.090 174.995 175.510 -1.008 0.000 1.218 33 N CA -0.749 51.862 53.050 -0.731 0.000 0.812 33 N CB 1.707 39.996 38.487 -0.331 0.000 1.592 33 N HN 0.720 nan 8.380 nan 0.000 0.480 34 R N 0.973 121.188 120.500 -0.476 0.000 2.066 34 R HA 0.039 4.379 4.340 -0.000 0.000 0.232 34 R C -0.451 175.725 176.300 -0.207 0.000 1.131 34 R CA 1.288 57.233 56.100 -0.258 0.000 0.955 34 R CB -0.780 29.489 30.300 -0.050 0.000 0.851 34 R HN 0.635 nan 8.270 nan 0.000 0.432 35 T N 1.910 116.369 114.554 -0.158 0.000 2.738 35 T HA 0.077 4.427 4.350 -0.000 0.000 0.293 35 T C 0.706 175.327 174.700 -0.132 0.000 0.913 35 T CA 0.059 62.096 62.100 -0.105 0.000 1.103 35 T CB 1.484 70.316 68.868 -0.060 0.000 0.880 35 T HN 0.267 nan 8.240 nan 0.000 0.526 36 T N 2.364 116.858 114.554 -0.100 0.000 2.915 36 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 36 T C 2.425 177.157 174.700 0.054 0.000 1.071 36 T CA 1.363 63.429 62.100 -0.058 0.000 1.132 36 T CB -0.177 68.697 68.868 0.009 0.000 0.878 36 T HN 0.767 nan 8.240 nan 0.000 0.479 37 S N 1.360 117.082 115.700 0.036 0.000 2.399 37 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 37 S C 1.913 176.552 174.600 0.064 0.000 1.022 37 S CA 0.815 59.048 58.200 0.056 0.000 0.983 37 S CB -0.227 62.990 63.200 0.028 0.000 0.803 37 S HN 0.232 nan 8.310 nan 0.000 0.480 38 K N 1.460 121.881 120.400 0.035 0.000 2.057 38 K HA 0.079 4.399 4.320 -0.000 0.000 0.206 38 K C 2.367 179.022 176.600 0.092 0.000 1.050 38 K CA 1.872 58.184 56.287 0.040 0.000 0.935 38 K CB -1.208 31.291 32.500 -0.001 0.000 0.715 38 K HN 0.510 nan 8.250 nan 0.000 0.439 39 T N 0.668 115.283 114.554 0.100 0.000 2.821 39 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 39 T C 1.632 176.600 174.700 0.447 0.000 1.046 39 T CA 1.133 63.355 62.100 0.203 0.000 1.139 39 T CB -0.096 68.782 68.868 0.018 0.000 0.871 39 T HN 0.320 nan 8.240 nan 0.000 0.454 40 E N 1.157 121.603 120.200 0.411 0.000 2.051 40 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 40 E C 2.138 178.838 176.600 0.166 0.000 0.991 40 E CA 1.223 57.742 56.400 0.199 0.000 0.799 40 E CB -0.018 29.727 29.700 0.076 0.000 0.748 40 E HN 0.584 nan 8.360 nan 0.000 0.449 41 E N -0.020 120.261 120.200 0.134 0.000 2.038 41 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 41 E C 2.235 178.908 176.600 0.121 0.000 1.000 41 E CA 1.627 58.083 56.400 0.093 0.000 0.803 41 E CB -0.162 29.580 29.700 0.069 0.000 0.750 41 E HN 0.254 nan 8.360 nan 0.000 0.448 42 V N 0.238 120.267 119.914 0.192 0.000 2.548 42 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 42 V C 1.910 178.197 176.094 0.322 0.000 1.055 42 V CA 1.440 63.901 62.300 0.268 0.000 1.065 42 V CB -0.424 31.556 31.823 0.262 0.000 0.681 42 V HN 0.248 nan 8.190 nan 0.000 0.462 43 F N 1.647 121.704 119.950 0.179 0.000 2.102 43 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 43 F C 2.345 178.181 175.800 0.061 0.000 1.105 43 F CA 2.460 60.549 58.000 0.148 0.000 1.239 43 F CB -0.296 38.780 39.000 0.127 0.000 0.991 43 F HN 0.114 nan 8.300 nan 0.000 0.474 44 K N -0.067 120.355 120.400 0.036 0.000 2.148 44 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 44 K C 1.791 178.292 176.600 -0.165 0.000 1.050 44 K CA 1.581 57.809 56.287 -0.099 0.000 0.942 44 K CB -0.190 32.302 32.500 -0.012 0.000 0.724 44 K HN 0.372 nan 8.250 nan 0.000 0.446 45 E N -0.366 119.734 120.200 -0.168 0.000 2.427 45 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 45 E C -0.061 176.181 176.600 -0.597 0.000 1.028 45 E CA 0.497 56.689 56.400 -0.348 0.000 0.864 45 E CB 0.285 29.762 29.700 -0.372 0.000 0.813 45 E HN 0.323 nan 8.360 nan 0.000 0.514 46 H N 0.145 119.150 119.070 -0.108 0.000 2.616 46 H HA 0.186 4.742 4.556 -0.000 0.000 0.229 46 H C 0.354 175.552 175.328 -0.216 0.000 1.418 46 H CA -0.077 55.906 56.048 -0.107 0.000 1.248 46 H CB 0.364 30.103 29.762 -0.038 0.000 1.822 46 H HN 0.157 nan 8.280 nan 0.000 0.522 47 Q N -0.089 119.588 119.800 -0.205 0.000 2.230 47 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 47 Q C 0.782 176.705 176.000 -0.129 0.000 0.963 47 Q CA 1.095 56.727 55.803 -0.285 0.000 0.866 47 Q CB 0.323 28.908 28.738 -0.255 0.000 0.931 47 Q HN 0.421 nan 8.270 nan 0.000 0.452 48 D N 0.372 120.737 120.400 -0.058 0.000 2.218 48 D HA -0.079 4.561 4.640 -0.000 0.000 0.204 48 D C 0.057 176.362 176.300 0.009 0.000 0.976 48 D CA 0.986 54.977 54.000 -0.014 0.000 0.853 48 D CB 0.329 41.134 40.800 0.008 0.000 0.939 48 D HN -0.065 nan 8.370 nan 0.000 0.481 49 K N 0.846 121.261 120.400 0.024 0.000 2.087 49 K HA 0.231 4.551 4.320 -0.000 0.000 0.255 49 K C -0.178 176.456 176.600 0.056 0.000 0.988 49 K CA -0.465 55.847 56.287 0.041 0.000 0.915 49 K CB 0.502 33.029 32.500 0.045 0.000 1.043 49 K HN -0.073 nan 8.250 nan 0.000 0.457 50 N N 2.397 121.142 118.700 0.075 0.000 3.124 50 N HA 0.141 4.881 4.740 -0.000 0.000 0.284 50 N C -0.516 175.086 175.510 0.154 0.000 1.209 50 N CA 0.070 53.184 53.050 0.106 0.000 1.149 50 N CB -0.106 38.435 38.487 0.090 0.000 1.434 50 N HN 0.251 nan 8.380 nan 0.000 0.529 51 L N 0.379 121.727 121.223 0.208 0.000 2.334 51 L HA 0.556 4.896 4.340 -0.000 0.000 0.273 51 L C 0.016 177.108 176.870 0.370 0.000 1.013 51 L CA -1.136 53.875 54.840 0.284 0.000 0.816 51 L CB 2.077 44.335 42.059 0.332 0.000 1.278 51 L HN -0.121 nan 8.230 nan 0.000 0.431 52 V N 2.261 122.350 119.914 0.292 0.000 2.334 52 V HA 0.228 4.348 4.120 -0.000 0.000 0.281 52 V C -0.372 175.840 176.094 0.196 0.000 1.016 52 V CA -0.448 61.989 62.300 0.229 0.000 0.832 52 V CB 1.133 33.038 31.823 0.136 0.000 0.999 52 V HN 0.442 nan 8.190 nan 0.000 0.439 53 F N 5.723 125.609 119.950 -0.107 0.000 2.471 53 F HA 0.525 5.051 4.527 -0.000 0.000 0.365 53 F C 0.749 176.494 175.800 -0.092 0.000 1.095 53 F CA 0.096 57.953 58.000 -0.237 0.000 1.174 53 F CB 0.686 39.178 39.000 -0.846 0.000 1.105 53 F HN 0.618 nan 8.300 nan 0.000 0.535 54 T N 2.359 116.571 114.554 -0.570 0.000 2.887 54 T HA 0.412 4.762 4.350 -0.000 0.000 0.288 54 T C 0.046 174.404 174.700 -0.570 0.000 1.021 54 T CA -0.763 61.119 62.100 -0.363 0.000 1.000 54 T CB 2.010 70.906 68.868 0.047 0.000 1.034 54 T HN 0.769 nan 8.240 nan 0.000 0.467 55 K N -0.059 120.178 120.400 -0.270 0.000 2.412 55 K HA 0.292 4.612 4.320 -0.000 0.000 0.202 55 K C 0.614 177.301 176.600 0.145 0.000 1.102 55 K CA -0.296 55.903 56.287 -0.146 0.000 1.027 55 K CB 0.527 32.990 32.500 -0.061 0.000 0.931 55 K HN 0.734 nan 8.250 nan 0.000 0.557 56 T N -2.617 112.029 114.554 0.155 0.000 2.916 56 T HA 0.397 4.747 4.350 -0.000 0.000 0.292 56 T C 0.847 175.468 174.700 -0.131 0.000 1.064 56 T CA -1.031 61.137 62.100 0.113 0.000 1.011 56 T CB 1.443 70.333 68.868 0.037 0.000 1.152 56 T HN -0.016 nan 8.240 nan 0.000 0.510 57 L N 0.160 121.186 121.223 -0.330 0.000 2.141 57 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 57 L C 2.667 179.474 176.870 -0.105 0.000 1.094 57 L CA 1.289 55.897 54.840 -0.386 0.000 0.763 57 L CB -0.505 41.343 42.059 -0.353 0.000 0.908 57 L HN 0.732 nan 8.230 nan 0.000 0.437 58 E N 0.083 120.240 120.200 -0.071 0.000 2.077 58 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 58 E C 2.029 178.614 176.600 -0.024 0.000 0.989 58 E CA 1.162 57.539 56.400 -0.038 0.000 0.800 58 E CB -0.039 29.645 29.700 -0.027 0.000 0.746 58 E HN 0.376 nan 8.360 nan 0.000 0.452 59 E N -0.496 119.698 120.200 -0.009 0.000 2.047 59 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 59 E C 1.865 178.473 176.600 0.014 0.000 0.987 59 E CA 0.879 57.281 56.400 0.003 0.000 0.799 59 E CB -0.181 29.528 29.700 0.016 0.000 0.752 59 E HN 0.266 nan 8.360 nan 0.000 0.449 60 F N 0.941 120.812 119.950 -0.132 0.000 2.069 60 F HA -0.239 4.288 4.527 0.000 0.000 0.298 60 F C 2.016 177.748 175.800 -0.114 0.000 1.113 60 F CA 1.525 59.446 58.000 -0.131 0.000 1.214 60 F CB -0.463 38.398 39.000 -0.233 0.000 0.978 60 F HN -0.112 nan 8.300 nan 0.000 0.474 61 V N 0.509 120.345 119.914 -0.131 0.000 2.358 61 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 61 V C 2.775 178.750 176.094 -0.198 0.000 1.047 61 V CA 1.884 64.055 62.300 -0.216 0.000 1.035 61 V CB -1.674 30.106 31.823 -0.071 0.000 0.658 61 V HN 0.566 nan 8.190 nan 0.000 0.452 62 G N 0.030 108.757 108.800 -0.122 0.000 2.462 62 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 62 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 62 G C 1.727 176.563 174.900 -0.106 0.000 1.121 62 G CA 1.297 46.342 45.100 -0.093 0.000 0.758 62 G HN 0.665 nan 8.290 nan 0.000 0.559 63 S N -0.692 114.919 115.700 -0.149 0.000 2.558 63 S HA 0.345 4.815 4.470 -0.000 0.000 0.217 63 S C 0.756 175.266 174.600 -0.150 0.000 0.975 63 S CA -0.421 57.705 58.200 -0.124 0.000 0.912 63 S CB -0.103 63.033 63.200 -0.106 0.000 0.776 63 S HN 0.150 nan 8.310 nan 0.000 0.526 64 L N 1.815 122.909 121.223 -0.215 0.000 2.325 64 L HA 0.494 4.834 4.340 -0.000 0.000 0.279 64 L C 0.333 177.130 176.870 -0.122 0.000 1.054 64 L CA -0.645 54.074 54.840 -0.202 0.000 0.804 64 L CB 1.273 43.144 42.059 -0.312 0.000 1.200 64 L HN 0.231 nan 8.230 nan 0.000 0.436 65 E N 2.491 122.644 120.200 -0.079 0.000 2.373 65 E HA 0.131 4.481 4.350 -0.000 0.000 0.267 65 E C -0.842 175.722 176.600 -0.060 0.000 1.032 65 E CA -0.452 55.918 56.400 -0.050 0.000 0.889 65 E CB 0.801 30.490 29.700 -0.017 0.000 0.984 65 E HN 0.377 nan 8.360 nan 0.000 0.425 66 K N 4.511 124.881 120.400 -0.050 0.000 2.174 66 K HA 0.300 4.620 4.320 -0.000 0.000 0.275 66 K C -2.169 174.408 176.600 -0.038 0.000 1.015 66 K CA -1.738 54.519 56.287 -0.050 0.000 0.933 66 K CB 0.758 33.231 32.500 -0.044 0.000 1.025 66 K HN 0.432 nan 8.250 nan 0.000 0.463 67 P HA 0.082 nan 4.420 nan 0.000 0.276 67 P C -0.866 176.393 177.300 -0.068 0.000 1.235 67 P CA -0.146 62.924 63.100 -0.051 0.000 0.772 67 P CB 0.670 32.343 31.700 -0.045 0.000 0.871 68 R N 2.896 123.345 120.500 -0.086 0.000 2.543 68 R HA 0.296 4.636 4.340 -0.000 0.000 0.277 68 R C 0.515 176.731 176.300 -0.141 0.000 1.074 68 R CA -0.223 55.800 56.100 -0.127 0.000 1.076 68 R CB 0.727 30.939 30.300 -0.147 0.000 0.993 68 R HN 0.433 nan 8.270 nan 0.000 0.459 69 R N 3.008 123.382 120.500 -0.210 0.000 2.337 69 R HA 0.408 4.747 4.340 -0.000 0.000 0.319 69 R C -0.622 175.342 176.300 -0.561 0.000 0.954 69 R CA -0.368 55.548 56.100 -0.305 0.000 0.840 69 R CB 1.098 31.276 30.300 -0.202 0.000 1.164 69 R HN 0.463 nan 8.270 nan 0.000 0.472 70 I N 3.599 123.956 120.570 -0.354 0.000 2.436 70 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 70 I C -0.451 175.582 176.117 -0.141 0.000 1.010 70 I CA -0.609 60.561 61.300 -0.217 0.000 1.098 70 I CB 2.049 40.059 38.000 0.016 0.000 1.266 70 I HN 0.430 nan 8.210 nan 0.000 0.434 71 M N 6.807 126.336 119.600 -0.119 0.000 2.243 71 M HA 0.494 4.974 4.480 -0.000 0.000 0.324 71 M C -1.730 174.622 176.300 0.088 0.000 1.031 71 M CA -0.811 54.523 55.300 0.057 0.000 0.949 71 M CB 1.480 34.198 32.600 0.197 0.000 1.615 71 M HN 0.347 nan 8.290 nan 0.000 0.430 72 L N 6.053 127.333 121.223 0.095 0.000 2.275 72 L HA 0.448 4.788 4.340 -0.000 0.000 0.288 72 L C -0.544 176.375 176.870 0.083 0.000 1.046 72 L CA 0.231 55.117 54.840 0.076 0.000 0.805 72 L CB 1.422 43.531 42.059 0.084 0.000 1.193 72 L HN 0.696 nan 8.230 nan 0.000 0.426 73 M N 5.743 125.381 119.600 0.062 0.000 2.634 73 M HA 0.364 4.844 4.480 -0.000 0.000 0.211 73 M C -0.672 175.651 176.300 0.039 0.000 1.019 73 M CA -0.378 54.955 55.300 0.054 0.000 0.834 73 M CB 0.663 33.292 32.600 0.049 0.000 1.376 73 M HN 0.279 nan 8.290 nan 0.000 0.465 74 V N -0.774 119.165 119.914 0.042 0.000 2.919 74 V HA 0.551 4.671 4.120 -0.000 0.000 0.316 74 V C 0.208 176.323 176.094 0.035 0.000 1.077 74 V CA -1.095 61.224 62.300 0.031 0.000 0.977 74 V CB 1.827 33.668 31.823 0.030 0.000 1.039 74 V HN 0.740 nan 8.190 nan 0.000 0.441 75 Q N 1.497 121.314 119.800 0.028 0.000 2.310 75 Q HA 0.275 4.615 4.340 -0.000 0.000 0.315 75 Q C 0.404 176.432 176.000 0.046 0.000 1.081 75 Q CA 0.420 56.242 55.803 0.031 0.000 0.981 75 Q CB 0.702 29.453 28.738 0.023 0.000 1.184 75 Q HN 1.234 nan 8.270 nan 0.000 0.389 76 A N 3.469 126.328 122.820 0.064 0.000 2.406 76 A HA 0.556 4.876 4.320 -0.000 0.000 0.243 76 A C 0.871 178.510 177.584 0.092 0.000 1.082 76 A CA 0.542 52.635 52.037 0.093 0.000 0.786 76 A CB -0.055 19.049 19.000 0.172 0.000 1.029 76 A HN 1.290 nan 8.150 nan 0.000 0.495 77 G N -0.070 108.777 108.800 0.079 0.000 2.545 77 G HA2 0.153 4.113 3.960 -0.000 0.000 0.240 77 G HA3 0.153 4.113 3.960 -0.000 0.000 0.240 77 G C 1.283 176.204 174.900 0.035 0.000 1.172 77 G CA 1.241 46.379 45.100 0.062 0.000 0.949 77 G HN 2.014 nan 8.290 nan 0.000 0.574 78 A N -0.107 122.733 122.820 0.032 0.000 1.908 78 A HA 0.297 4.617 4.320 -0.000 0.000 0.218 78 A C 3.018 180.612 177.584 0.016 0.000 1.181 78 A CA 3.838 55.886 52.037 0.018 0.000 0.627 78 A CB -1.137 17.873 19.000 0.018 0.000 0.818 78 A HN 2.344 nan 8.150 nan 0.000 0.445 79 A N -1.063 121.770 122.820 0.022 0.000 1.877 79 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 79 A C 2.327 179.923 177.584 0.021 0.000 1.186 79 A CA 2.379 54.428 52.037 0.020 0.000 0.620 79 A CB -1.349 17.664 19.000 0.022 0.000 0.822 79 A HN 0.426 nan 8.150 nan 0.000 0.443 80 T N 0.243 114.813 114.554 0.028 0.000 2.746 80 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 80 T C 1.538 176.250 174.700 0.021 0.000 1.039 80 T CA 1.554 63.673 62.100 0.033 0.000 1.142 80 T CB -0.448 68.446 68.868 0.044 0.000 0.866 80 T HN 0.482 nan 8.240 nan 0.000 0.444 81 D N 1.411 121.816 120.400 0.010 0.000 2.104 81 D HA -0.047 4.593 4.640 -0.000 0.000 0.194 81 D C 2.384 178.678 176.300 -0.010 0.000 0.994 81 D CA 1.373 55.369 54.000 -0.007 0.000 0.830 81 D CB -0.531 40.261 40.800 -0.013 0.000 0.959 81 D HN 0.411 nan 8.370 nan 0.000 0.452 82 A N 0.413 123.231 122.820 -0.004 0.000 1.933 82 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 82 A C 2.384 179.964 177.584 -0.006 0.000 1.175 82 A CA 2.077 54.111 52.037 -0.005 0.000 0.628 82 A CB -0.886 18.114 19.000 0.001 0.000 0.814 82 A HN 0.215 nan 8.150 nan 0.000 0.444 83 T N 0.398 114.952 114.554 0.001 0.000 2.708 83 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 83 T C 1.791 176.482 174.700 -0.015 0.000 1.037 83 T CA 1.624 63.722 62.100 -0.003 0.000 1.146 83 T CB -0.413 68.461 68.868 0.009 0.000 0.865 83 T HN 0.434 nan 8.240 nan 0.000 0.435 84 I N 0.757 121.323 120.570 -0.006 0.000 2.226 84 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 84 I C 2.609 178.707 176.117 -0.031 0.000 1.100 84 I CA 1.209 62.501 61.300 -0.014 0.000 1.374 84 I CB -0.302 37.687 38.000 -0.019 0.000 1.057 84 I HN 0.182 nan 8.210 nan 0.000 0.413 85 K N 0.883 121.263 120.400 -0.032 0.000 2.063 85 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 85 K C 2.204 178.785 176.600 -0.032 0.000 1.048 85 K CA 1.808 58.075 56.287 -0.034 0.000 0.928 85 K CB 0.023 32.505 32.500 -0.029 0.000 0.713 85 K HN 0.180 nan 8.250 nan 0.000 0.442 86 S N 0.866 116.547 115.700 -0.031 0.000 2.402 86 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 86 S C 1.626 176.199 174.600 -0.045 0.000 1.021 86 S CA 0.805 58.983 58.200 -0.037 0.000 0.974 86 S CB -0.110 63.066 63.200 -0.041 0.000 0.800 86 S HN 0.215 nan 8.310 nan 0.000 0.484 87 L N 1.028 122.226 121.223 -0.042 0.000 2.168 87 L HA 0.220 4.560 4.340 -0.000 0.000 0.203 87 L C 1.761 178.617 176.870 -0.024 0.000 1.078 87 L CA 1.005 55.824 54.840 -0.035 0.000 0.780 87 L CB -0.796 41.250 42.059 -0.022 0.000 0.939 87 L HN 0.147 nan 8.230 nan 0.000 0.451 88 L N 0.519 121.726 121.223 -0.027 0.000 2.021 88 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 88 L C -0.253 176.600 176.870 -0.027 0.000 1.074 88 L CA 2.313 57.136 54.840 -0.029 0.000 0.760 88 L CB -2.440 39.594 42.059 -0.041 0.000 0.889 88 L HN 0.214 nan 8.230 nan 0.000 0.433 89 P HA -0.128 nan 4.420 nan 0.000 0.219 89 P C 1.769 179.053 177.300 -0.026 0.000 1.146 89 P CA 0.828 63.912 63.100 -0.026 0.000 0.808 89 P CB 0.061 31.746 31.700 -0.026 0.000 0.779 90 L N -2.331 118.875 121.223 -0.028 0.000 2.313 90 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 90 L C 1.062 177.913 176.870 -0.031 0.000 1.119 90 L CA 0.736 55.558 54.840 -0.030 0.000 0.809 90 L CB -1.513 40.527 42.059 -0.031 0.000 0.933 90 L HN -0.012 nan 8.230 nan 0.000 0.449 91 L N -0.678 120.528 121.223 -0.027 0.000 2.439 91 L HA 0.241 4.581 4.340 -0.000 0.000 0.261 91 L C 0.309 177.162 176.870 -0.028 0.000 1.153 91 L CA 0.188 55.010 54.840 -0.029 0.000 0.808 91 L CB 0.324 42.371 42.059 -0.020 0.000 1.126 91 L HN 0.045 nan 8.230 nan 0.000 0.460 92 D N 0.647 121.029 120.400 -0.031 0.000 2.350 92 D HA 0.386 5.026 4.640 -0.000 0.000 0.238 92 D C -0.075 176.211 176.300 -0.023 0.000 0.989 92 D CA -0.494 53.490 54.000 -0.027 0.000 0.921 92 D CB 1.972 42.753 40.800 -0.032 0.000 1.297 92 D HN 0.245 nan 8.370 nan 0.000 0.490 93 I N 1.010 121.568 120.570 -0.020 0.000 2.821 93 I HA 0.034 4.203 4.170 -0.000 0.000 0.294 93 I C 1.614 177.720 176.117 -0.019 0.000 1.210 93 I CA 1.175 62.465 61.300 -0.016 0.000 1.430 93 I CB 0.136 38.127 38.000 -0.014 0.000 1.356 93 I HN 0.789 nan 8.210 nan 0.000 0.563 94 G N 3.832 112.622 108.800 -0.016 0.000 2.232 94 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.226 94 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.226 94 G C 0.057 174.941 174.900 -0.027 0.000 0.996 94 G CA -0.392 44.695 45.100 -0.022 0.000 0.626 94 G HN 0.567 nan 8.290 nan 0.000 0.509 95 D N 0.395 120.779 120.400 -0.027 0.000 2.382 95 D HA 0.516 5.156 4.640 -0.000 0.000 0.240 95 D C 0.612 176.900 176.300 -0.020 0.000 1.146 95 D CA 0.416 54.395 54.000 -0.035 0.000 0.897 95 D CB 0.908 41.685 40.800 -0.038 0.000 1.197 95 D HN 0.334 nan 8.370 nan 0.000 0.432 96 I N 1.706 122.255 120.570 -0.034 0.000 2.410 96 I HA 0.183 4.353 4.170 -0.000 0.000 0.286 96 I C -0.767 175.350 176.117 0.000 0.000 1.009 96 I CA -0.824 60.465 61.300 -0.019 0.000 1.111 96 I CB 1.527 39.491 38.000 -0.059 0.000 1.262 96 I HN 0.031 nan 8.210 nan 0.000 0.443 97 L N 8.568 129.840 121.223 0.082 0.000 2.287 97 L HA 0.645 4.984 4.340 -0.000 0.000 0.287 97 L C -0.883 176.089 176.870 0.169 0.000 1.022 97 L CA -0.094 54.830 54.840 0.141 0.000 0.814 97 L CB 0.943 43.130 42.059 0.213 0.000 1.217 97 L HN 0.419 nan 8.230 nan 0.000 0.420 98 I N 4.263 124.902 120.570 0.115 0.000 2.389 98 I HA 0.329 4.499 4.170 -0.000 0.000 0.288 98 I C -0.873 175.327 176.117 0.138 0.000 0.999 98 I CA -0.581 60.772 61.300 0.087 0.000 1.129 98 I CB 1.754 39.864 38.000 0.183 0.000 1.288 98 I HN 0.517 nan 8.210 nan 0.000 0.444 99 D N 4.929 125.409 120.400 0.133 0.000 2.412 99 D HA 0.340 4.980 4.640 -0.000 0.000 0.224 99 D C 0.764 177.201 176.300 0.229 0.000 1.093 99 D CA -0.379 53.758 54.000 0.229 0.000 0.850 99 D CB 1.625 42.653 40.800 0.380 0.000 1.046 99 D HN 0.679 nan 8.370 nan 0.000 0.507 100 G N 2.479 111.386 108.800 0.178 0.000 3.233 100 G HA2 0.311 4.271 3.960 -0.000 0.000 0.234 100 G HA3 0.311 4.271 3.960 -0.000 0.000 0.234 100 G C 0.756 175.745 174.900 0.149 0.000 1.137 100 G CA -0.066 45.121 45.100 0.144 0.000 0.763 100 G HN 0.548 nan 8.290 nan 0.000 0.549 101 G N 0.165 109.055 108.800 0.151 0.000 2.621 101 G HA2 0.278 4.238 3.960 -0.000 0.000 0.271 101 G HA3 0.278 4.238 3.960 -0.000 0.000 0.271 101 G C -0.097 174.841 174.900 0.062 0.000 1.236 101 G CA -0.668 44.483 45.100 0.086 0.000 0.958 101 G HN 0.090 nan 8.290 nan 0.000 0.512 102 N N 0.699 119.431 118.700 0.053 0.000 3.124 102 N HA 0.156 4.895 4.740 -0.000 0.000 0.284 102 N C -0.007 175.578 175.510 0.125 0.000 1.209 102 N CA 0.163 53.266 53.050 0.087 0.000 1.149 102 N CB 0.358 38.904 38.487 0.098 0.000 1.434 102 N HN 0.230 nan 8.380 nan 0.000 0.529 103 T N 0.350 114.781 114.554 -0.206 0.000 2.869 103 T HA 0.028 4.378 4.350 -0.000 0.000 0.295 103 T C 0.289 174.861 174.700 -0.213 0.000 0.987 103 T CA -0.257 61.694 62.100 -0.248 0.000 1.109 103 T CB 0.715 69.285 68.868 -0.497 0.000 0.932 103 T HN 0.366 nan 8.240 nan 0.000 0.518 104 H N 3.274 122.016 119.070 -0.546 0.000 3.004 104 H HA 0.018 4.574 4.556 -0.000 0.000 0.316 104 H C 1.133 176.177 175.328 -0.473 0.000 1.014 104 H CA -0.541 54.925 56.048 -0.970 0.000 1.454 104 H CB 0.296 29.132 29.762 -1.544 0.000 1.472 104 H HN 0.758 nan 8.280 nan 0.000 0.571 105 F N 5.026 124.798 119.950 -0.297 0.000 2.202 105 F HA 0.009 4.536 4.527 -0.000 0.000 0.301 105 F C -1.394 174.285 175.800 -0.202 0.000 1.082 105 F CA -0.246 57.680 58.000 -0.124 0.000 1.313 105 F CB -1.738 37.297 39.000 0.058 0.000 1.024 105 F HN 0.455 nan 8.300 nan 0.000 0.495 106 P HA -0.122 nan 4.420 nan 0.000 0.218 106 P C 0.892 177.982 177.300 -0.350 0.000 1.148 106 P CA 1.844 64.499 63.100 -0.742 0.000 0.822 106 P CB -0.063 31.081 31.700 -0.925 0.000 0.784 107 D N -1.531 118.677 120.400 -0.320 0.000 2.117 107 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 107 D C 1.850 178.130 176.300 -0.034 0.000 0.982 107 D CA 1.358 55.265 54.000 -0.154 0.000 0.828 107 D CB -1.064 39.655 40.800 -0.134 0.000 0.967 107 D HN 0.131 nan 8.370 nan 0.000 0.464 108 T N 0.684 115.272 114.554 0.055 0.000 2.821 108 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 108 T C 2.100 176.934 174.700 0.223 0.000 1.046 108 T CA 0.750 63.008 62.100 0.264 0.000 1.139 108 T CB -0.091 69.043 68.868 0.443 0.000 0.871 108 T HN 0.123 nan 8.240 nan 0.000 0.454 109 M N 0.402 120.082 119.600 0.133 0.000 2.117 109 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 109 M C 2.559 178.900 176.300 0.069 0.000 1.065 109 M CA 1.507 56.883 55.300 0.126 0.000 1.114 109 M CB -0.303 32.356 32.600 0.099 0.000 1.361 109 M HN 0.068 nan 8.290 nan 0.000 0.408 110 R N 0.135 120.638 120.500 0.005 0.000 2.075 110 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 110 R C 2.256 178.531 176.300 -0.041 0.000 1.126 110 R CA 1.653 57.738 56.100 -0.024 0.000 0.963 110 R CB -0.103 30.161 30.300 -0.059 0.000 0.858 110 R HN 0.132 nan 8.270 nan 0.000 0.435 111 R N 0.315 120.775 120.500 -0.066 0.000 2.083 111 R HA -0.142 4.197 4.340 -0.000 0.000 0.237 111 R C 1.928 178.100 176.300 -0.214 0.000 1.137 111 R CA 2.168 58.142 56.100 -0.209 0.000 0.951 111 R CB -0.468 29.624 30.300 -0.347 0.000 0.851 111 R HN 0.218 nan 8.270 nan 0.000 0.434 112 N N -0.424 118.275 118.700 -0.002 0.000 2.104 112 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 112 N C 1.451 176.997 175.510 0.059 0.000 1.024 112 N CA 1.893 55.028 53.050 0.141 0.000 0.853 112 N CB -0.219 38.427 38.487 0.265 0.000 1.008 112 N HN 0.385 nan 8.380 nan 0.000 0.424 113 A N 0.423 123.266 122.820 0.038 0.000 1.898 113 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 113 A C 2.008 179.588 177.584 -0.005 0.000 1.181 113 A CA 1.420 53.473 52.037 0.026 0.000 0.620 113 A CB -0.604 18.412 19.000 0.027 0.000 0.819 113 A HN 0.433 nan 8.150 nan 0.000 0.442 114 E N -0.191 119.987 120.200 -0.037 0.000 2.085 114 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 114 E C 1.575 178.139 176.600 -0.059 0.000 0.994 114 E CA 1.188 57.556 56.400 -0.054 0.000 0.801 114 E CB -0.247 29.405 29.700 -0.081 0.000 0.743 114 E HN 0.608 nan 8.360 nan 0.000 0.453 115 L N 0.187 121.361 121.223 -0.081 0.000 2.591 115 L HA 0.113 4.453 4.340 -0.000 0.000 0.228 115 L C 2.292 179.157 176.870 -0.008 0.000 1.133 115 L CA -0.093 54.707 54.840 -0.066 0.000 0.880 115 L CB -0.214 41.768 42.059 -0.128 0.000 1.033 115 L HN 0.114 nan 8.230 nan 0.000 0.450 116 A N 0.381 123.206 122.820 0.009 0.000 1.903 116 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 116 A C 1.472 179.070 177.584 0.022 0.000 1.191 116 A CA 2.065 54.120 52.037 0.031 0.000 0.638 116 A CB -0.274 18.745 19.000 0.032 0.000 0.823 116 A HN 0.383 nan 8.150 nan 0.000 0.451 117 D N -1.161 119.245 120.400 0.009 0.000 2.559 117 D HA 0.143 4.783 4.640 -0.000 0.000 0.234 117 D C 1.255 177.555 176.300 -0.001 0.000 1.226 117 D CA 0.774 54.777 54.000 0.006 0.000 0.830 117 D CB 0.283 41.086 40.800 0.004 0.000 1.028 117 D HN 0.560 nan 8.370 nan 0.000 0.492 118 S N -0.917 114.782 115.700 -0.002 0.000 2.501 118 S HA 0.205 4.675 4.470 -0.000 0.000 0.220 118 S C 1.835 176.432 174.600 -0.005 0.000 0.997 118 S CA 0.581 58.776 58.200 -0.008 0.000 0.919 118 S CB 0.435 63.624 63.200 -0.017 0.000 0.778 118 S HN 0.272 nan 8.310 nan 0.000 0.523 119 G N 0.990 109.791 108.800 0.002 0.000 2.179 119 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 119 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 119 G C -0.028 174.875 174.900 0.004 0.000 0.977 119 G CA 0.258 45.358 45.100 0.001 0.000 0.641 119 G HN 0.579 nan 8.290 nan 0.000 0.533 120 I N 2.180 122.757 120.570 0.012 0.000 2.312 120 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 120 I C -0.034 176.119 176.117 0.060 0.000 1.008 120 I CA -0.869 60.445 61.300 0.024 0.000 1.226 120 I CB 0.892 38.902 38.000 0.016 0.000 1.371 120 I HN 0.038 nan 8.210 nan 0.000 0.468 121 N N 6.462 125.198 118.700 0.059 0.000 2.497 121 N HA 0.176 4.916 4.740 -0.000 0.000 0.268 121 N C -0.940 174.672 175.510 0.170 0.000 1.171 121 N CA 0.151 53.250 53.050 0.082 0.000 0.948 121 N CB 1.370 39.870 38.487 0.022 0.000 1.069 121 N HN 0.328 nan 8.380 nan 0.000 0.460 122 F N 2.695 122.652 119.950 0.011 0.000 2.529 122 F HA 0.585 5.112 4.527 -0.000 0.000 0.320 122 F C -0.973 174.853 175.800 0.044 0.000 1.118 122 F CA -1.034 56.983 58.000 0.027 0.000 0.915 122 F CB 0.974 39.992 39.000 0.030 0.000 1.161 122 F HN 0.303 nan 8.300 nan 0.000 0.445 123 I N 4.628 124.747 120.570 -0.752 0.000 2.478 123 I HA 0.435 4.604 4.170 -0.000 0.000 0.287 123 I C -0.149 175.433 176.117 -0.893 0.000 1.042 123 I CA -0.816 60.104 61.300 -0.634 0.000 1.067 123 I CB 2.071 39.968 38.000 -0.173 0.000 1.233 123 I HN 0.807 nan 8.210 nan 0.000 0.431 124 G N 3.408 111.718 108.800 -0.816 0.000 2.347 124 G HA2 0.496 4.456 3.960 -0.000 0.000 0.314 124 G HA3 0.496 4.456 3.960 -0.000 0.000 0.314 124 G C -0.642 173.785 174.900 -0.788 0.000 1.126 124 G CA -0.193 44.514 45.100 -0.655 0.000 0.929 124 G HN 0.433 nan 8.290 nan 0.000 0.441 125 T N 1.170 115.400 114.554 -0.541 0.000 2.863 125 T HA 0.683 5.033 4.350 -0.000 0.000 0.285 125 T C 0.625 175.232 174.700 -0.155 0.000 1.009 125 T CA -0.105 61.806 62.100 -0.314 0.000 0.989 125 T CB 1.273 70.087 68.868 -0.091 0.000 1.004 125 T HN 0.652 nan 8.240 nan 0.000 0.455 126 G N 2.002 110.743 108.800 -0.098 0.000 2.444 126 G HA2 0.571 4.531 3.960 -0.000 0.000 0.268 126 G HA3 0.571 4.531 3.960 -0.000 0.000 0.268 126 G C -1.017 173.838 174.900 -0.074 0.000 1.203 126 G CA -0.363 44.739 45.100 0.002 0.000 0.835 126 G HN 0.771 nan 8.290 nan 0.000 0.543 127 V N 0.777 120.642 119.914 -0.083 0.000 2.577 127 V HA 0.587 4.707 4.120 -0.000 0.000 0.303 127 V C 0.089 176.091 176.094 -0.155 0.000 1.042 127 V CA -0.757 61.473 62.300 -0.117 0.000 0.872 127 V CB 1.404 33.174 31.823 -0.088 0.000 0.998 127 V HN 0.826 nan 8.190 nan 0.000 0.423 128 S N 2.503 118.098 115.700 -0.174 0.000 2.704 128 S HA 0.826 5.296 4.470 -0.000 0.000 0.305 128 S C 0.874 175.397 174.600 -0.128 0.000 1.107 128 S CA 0.588 58.670 58.200 -0.197 0.000 0.993 128 S CB 1.617 64.671 63.200 -0.243 0.000 1.110 128 S HN 2.005 nan 8.310 nan 0.000 0.534 129 G N 0.483 109.192 108.800 -0.151 0.000 2.179 129 G HA2 0.150 4.110 3.960 -0.000 0.000 0.220 129 G HA3 0.150 4.110 3.960 -0.000 0.000 0.220 129 G C 1.317 176.133 174.900 -0.140 0.000 0.990 129 G CA 0.395 45.373 45.100 -0.202 0.000 0.646 129 G HN 2.013 nan 8.290 nan 0.000 0.517 130 G N 0.467 109.216 108.800 -0.085 0.000 2.601 130 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.252 130 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.252 130 G C 0.934 175.825 174.900 -0.015 0.000 1.294 130 G CA 1.321 46.403 45.100 -0.031 0.000 0.912 130 G HN 1.839 nan 8.290 nan 0.000 0.574 131 E N -0.379 119.826 120.200 0.008 0.000 2.077 131 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 131 E C 2.103 178.711 176.600 0.013 0.000 0.989 131 E CA 1.519 57.926 56.400 0.013 0.000 0.800 131 E CB -0.169 29.544 29.700 0.021 0.000 0.746 131 E HN 0.364 nan 8.360 nan 0.000 0.452 132 K N 0.688 121.103 120.400 0.025 0.000 2.148 132 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 132 K C 2.274 178.879 176.600 0.008 0.000 1.050 132 K CA 1.109 57.412 56.287 0.027 0.000 0.942 132 K CB -0.644 31.888 32.500 0.053 0.000 0.724 132 K HN 0.378 nan 8.250 nan 0.000 0.446 133 G N 1.467 110.259 108.800 -0.015 0.000 2.446 133 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 133 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 133 G C 1.724 176.603 174.900 -0.034 0.000 1.168 133 G CA 1.283 46.360 45.100 -0.038 0.000 0.771 133 G HN 0.371 nan 8.290 nan 0.000 0.551 134 A N 0.178 122.980 122.820 -0.030 0.000 1.933 134 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 134 A C 2.361 179.933 177.584 -0.020 0.000 1.175 134 A CA 1.739 53.759 52.037 -0.028 0.000 0.628 134 A CB -0.389 18.602 19.000 -0.016 0.000 0.814 134 A HN 0.437 nan 8.150 nan 0.000 0.444 135 L N -0.880 120.338 121.223 -0.009 0.000 2.044 135 L HA 0.033 4.373 4.340 -0.000 0.000 0.205 135 L C 2.026 178.892 176.870 -0.007 0.000 1.075 135 L CA 1.807 56.644 54.840 -0.006 0.000 0.747 135 L CB -0.222 41.839 42.059 0.005 0.000 0.903 135 L HN 0.382 nan 8.230 nan 0.000 0.435 136 L N -1.750 119.471 121.223 -0.003 0.000 2.537 136 L HA 0.460 4.800 4.340 -0.000 0.000 0.224 136 L C 0.422 177.291 176.870 -0.002 0.000 1.065 136 L CA 0.302 55.143 54.840 0.002 0.000 0.860 136 L CB 0.204 42.271 42.059 0.013 0.000 1.086 136 L HN 0.320 nan 8.230 nan 0.000 0.482 137 G N 1.427 110.220 108.800 -0.011 0.000 2.110 137 G HA2 0.167 4.127 3.960 -0.000 0.000 0.218 137 G HA3 0.167 4.127 3.960 -0.000 0.000 0.218 137 G C -3.284 171.601 174.900 -0.025 0.000 2.460 137 G CA -0.534 44.558 45.100 -0.014 0.000 0.838 137 G HN -0.307 nan 8.290 nan 0.000 0.534 138 P HA 0.519 nan 4.420 nan 0.000 0.285 138 P C 0.121 177.398 177.300 -0.039 0.000 1.269 138 P CA -0.399 62.666 63.100 -0.058 0.000 0.844 138 P CB 2.069 33.717 31.700 -0.087 0.000 1.094 139 S N 1.811 117.500 115.700 -0.019 0.000 2.523 139 S HA 0.492 4.962 4.470 -0.000 0.000 0.275 139 S C -0.186 174.402 174.600 -0.020 0.000 1.281 139 S CA -0.428 57.792 58.200 0.033 0.000 1.050 139 S CB -0.687 62.600 63.200 0.147 0.000 0.937 139 S HN 0.274 nan 8.310 nan 0.000 0.492 140 M N 4.614 124.200 119.600 -0.023 0.000 2.465 140 M HA 0.450 4.930 4.480 -0.000 0.000 0.316 140 M C -1.043 175.242 176.300 -0.025 0.000 1.121 140 M CA -0.289 54.961 55.300 -0.083 0.000 0.934 140 M CB 2.168 34.640 32.600 -0.213 0.000 1.692 140 M HN 0.513 nan 8.290 nan 0.000 0.444 141 M N 4.168 123.738 119.600 -0.050 0.000 2.066 141 M HA 0.364 4.844 4.480 -0.000 0.000 0.264 141 M C -2.560 173.671 176.300 -0.115 0.000 0.886 141 M CA -1.430 53.831 55.300 -0.065 0.000 0.810 141 M CB 0.959 33.537 32.600 -0.036 0.000 1.451 141 M HN 0.133 nan 8.290 nan 0.000 0.373 142 P HA 0.591 nan 4.420 nan 0.000 0.288 142 P C -0.272 176.926 177.300 -0.170 0.000 1.267 142 P CA -0.259 62.829 63.100 -0.020 0.000 0.815 142 P CB 1.596 33.508 31.700 0.353 0.000 0.989 143 G N 0.046 108.706 108.800 -0.233 0.000 2.619 143 G HA2 0.774 4.734 3.960 -0.000 0.000 0.296 143 G HA3 0.774 4.734 3.960 -0.000 0.000 0.296 143 G C -0.785 174.029 174.900 -0.142 0.000 1.334 143 G CA -0.692 44.234 45.100 -0.289 0.000 0.934 143 G HN 0.777 nan 8.290 nan 0.000 0.476 144 G N -0.657 108.138 108.800 -0.007 0.000 2.350 144 G HA2 0.399 4.359 3.960 -0.000 0.000 0.276 144 G HA3 0.399 4.359 3.960 -0.000 0.000 0.276 144 G C -1.259 173.752 174.900 0.186 0.000 1.313 144 G CA -0.859 44.282 45.100 0.068 0.000 0.903 144 G HN 0.763 nan 8.290 nan 0.000 0.490 145 Q N 0.236 120.113 119.800 0.129 0.000 2.352 145 Q HA 0.269 4.609 4.340 -0.000 0.000 0.260 145 Q C 1.042 177.045 176.000 0.005 0.000 0.976 145 Q CA -0.341 55.519 55.803 0.094 0.000 0.881 145 Q CB 1.614 30.387 28.738 0.057 0.000 1.235 145 Q HN 0.637 nan 8.270 nan 0.000 0.419 146 K N 2.750 123.070 120.400 -0.134 0.000 2.113 146 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 146 K C 1.152 177.632 176.600 -0.201 0.000 1.047 146 K CA 1.830 57.849 56.287 -0.447 0.000 0.928 146 K CB 0.139 32.389 32.500 -0.417 0.000 0.716 146 K HN 0.569 nan 8.250 nan 0.000 0.446 147 E N -0.218 119.920 120.200 -0.103 0.000 2.077 147 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 147 E C 1.931 178.487 176.600 -0.074 0.000 0.989 147 E CA 1.454 57.809 56.400 -0.075 0.000 0.800 147 E CB -0.473 29.200 29.700 -0.045 0.000 0.746 147 E HN 0.406 nan 8.360 nan 0.000 0.452 148 A N 0.247 123.040 122.820 -0.045 0.000 1.902 148 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 148 A C 2.157 179.688 177.584 -0.090 0.000 1.181 148 A CA 1.569 53.576 52.037 -0.049 0.000 0.623 148 A CB -0.944 18.054 19.000 -0.004 0.000 0.818 148 A HN 0.399 nan 8.150 nan 0.000 0.443 149 Y N 1.392 121.583 120.300 -0.181 0.000 2.128 149 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 149 Y C 1.707 177.468 175.900 -0.232 0.000 1.154 149 Y CA 2.215 60.191 58.100 -0.205 0.000 1.149 149 Y CB -0.340 37.976 38.460 -0.240 0.000 0.976 149 Y HN 0.359 nan 8.280 nan 0.000 0.505 150 D N 0.027 120.260 120.400 -0.279 0.000 2.263 150 D HA -0.143 4.497 4.640 -0.000 0.000 0.208 150 D C 2.117 178.232 176.300 -0.307 0.000 0.971 150 D CA 1.211 55.027 54.000 -0.307 0.000 0.867 150 D CB -0.266 40.444 40.800 -0.150 0.000 0.929 150 D HN 0.433 nan 8.370 nan 0.000 0.492 151 L N 0.089 121.147 121.223 -0.275 0.000 2.240 151 L HA -0.038 4.302 4.340 -0.000 0.000 0.211 151 L C 2.091 178.777 176.870 -0.307 0.000 1.106 151 L CA 0.512 55.214 54.840 -0.230 0.000 0.793 151 L CB 0.094 42.055 42.059 -0.163 0.000 0.927 151 L HN 0.019 nan 8.230 nan 0.000 0.446 152 V N -5.128 114.488 119.914 -0.496 0.000 3.528 152 V HA 0.360 4.480 4.120 -0.000 0.000 0.294 152 V C 2.125 177.692 176.094 -0.878 0.000 1.404 152 V CA 0.569 62.444 62.300 -0.708 0.000 1.065 152 V CB 0.146 31.351 31.823 -1.030 0.000 0.904 152 V HN 0.131 nan 8.190 nan 0.000 0.435 153 A N 1.657 123.998 122.820 -0.798 0.000 1.883 153 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 153 A C 0.575 177.999 177.584 -0.267 0.000 1.186 153 A CA 2.288 53.930 52.037 -0.657 0.000 0.624 153 A CB -1.823 16.722 19.000 -0.759 0.000 0.822 153 A HN 0.623 nan 8.150 nan 0.000 0.444 154 P HA -0.138 nan 4.420 nan 0.000 0.215 154 P C 1.635 178.915 177.300 -0.033 0.000 1.157 154 P CA 0.993 64.039 63.100 -0.089 0.000 0.868 154 P CB -0.083 31.571 31.700 -0.075 0.000 0.788 155 I N -2.436 118.090 120.570 -0.073 0.000 2.439 155 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 155 I C 1.797 177.968 176.117 0.091 0.000 1.139 155 I CA 1.059 62.330 61.300 -0.047 0.000 1.438 155 I CB -0.141 37.722 38.000 -0.229 0.000 1.085 155 I HN -0.231 nan 8.210 nan 0.000 0.427 156 F N 1.612 121.486 119.950 -0.127 0.000 2.102 156 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 156 F C 2.501 178.272 175.800 -0.049 0.000 1.105 156 F CA 1.388 59.338 58.000 -0.085 0.000 1.239 156 F CB -1.094 37.872 39.000 -0.058 0.000 0.991 156 F HN 0.166 nan 8.300 nan 0.000 0.474 157 E N -0.307 119.988 120.200 0.157 0.000 2.077 157 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 157 E C 2.110 178.746 176.600 0.061 0.000 0.989 157 E CA 1.328 57.783 56.400 0.091 0.000 0.800 157 E CB -0.286 29.452 29.700 0.063 0.000 0.746 157 E HN 0.535 nan 8.360 nan 0.000 0.452 158 Q N 0.375 120.211 119.800 0.059 0.000 2.050 158 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 158 Q C 2.498 178.517 176.000 0.032 0.000 0.980 158 Q CA 1.594 57.428 55.803 0.052 0.000 0.840 158 Q CB -0.308 28.483 28.738 0.088 0.000 0.898 158 Q HN 0.494 nan 8.270 nan 0.000 0.424 159 I N -2.124 118.454 120.570 0.013 0.000 2.761 159 I HA 0.154 4.324 4.170 -0.000 0.000 0.261 159 I C 0.963 177.065 176.117 -0.026 0.000 1.198 159 I CA -0.161 61.125 61.300 -0.024 0.000 1.482 159 I CB -0.295 37.655 38.000 -0.082 0.000 1.100 159 I HN -0.112 nan 8.210 nan 0.000 0.445 160 A N 1.954 124.768 122.820 -0.011 0.000 2.448 160 A HA 0.572 4.892 4.320 -0.000 0.000 0.239 160 A C 0.787 178.374 177.584 0.005 0.000 1.080 160 A CA 0.181 52.211 52.037 -0.011 0.000 0.779 160 A CB -0.132 18.880 19.000 0.018 0.000 1.026 160 A HN 0.574 nan 8.150 nan 0.000 0.499 161 A N 1.630 124.454 122.820 0.007 0.000 2.466 161 A HA 0.488 4.808 4.320 -0.000 0.000 0.238 161 A C 0.205 177.808 177.584 0.033 0.000 1.074 161 A CA -0.053 51.996 52.037 0.020 0.000 0.774 161 A CB 0.085 19.099 19.000 0.024 0.000 1.015 161 A HN 0.656 nan 8.150 nan 0.000 0.498 162 K N 1.169 121.589 120.400 0.034 0.000 2.206 162 K HA 0.543 4.863 4.320 -0.000 0.000 0.264 162 K C -0.070 176.557 176.600 0.044 0.000 0.967 162 K CA -0.268 56.042 56.287 0.038 0.000 0.844 162 K CB 1.590 34.110 32.500 0.032 0.000 1.099 162 K HN 0.769 nan 8.250 nan 0.000 0.441 163 A N 4.881 127.730 122.820 0.049 0.000 2.520 163 A HA 0.152 4.472 4.320 -0.000 0.000 0.245 163 A C -1.117 176.494 177.584 0.045 0.000 1.072 163 A CA -0.726 51.343 52.037 0.053 0.000 0.761 163 A CB -0.135 18.898 19.000 0.055 0.000 1.004 163 A HN 0.449 nan 8.150 nan 0.000 0.499 164 P HA -0.168 nan 4.420 nan 0.000 0.220 164 P C 0.860 178.181 177.300 0.036 0.000 1.148 164 P CA 1.200 64.325 63.100 0.041 0.000 0.803 164 P CB 0.247 31.973 31.700 0.044 0.000 0.782 165 Q N 0.486 120.308 119.800 0.037 0.000 2.119 165 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 165 Q C 1.087 177.104 176.000 0.028 0.000 0.972 165 Q CA 1.951 57.774 55.803 0.032 0.000 0.847 165 Q CB -0.399 28.358 28.738 0.033 0.000 0.903 165 Q HN 0.451 nan 8.270 nan 0.000 0.433 166 D N -4.378 116.040 120.400 0.030 0.000 2.497 166 D HA 0.197 4.837 4.640 -0.000 0.000 0.256 166 D C 0.819 177.136 176.300 0.027 0.000 1.273 166 D CA 0.436 54.452 54.000 0.027 0.000 0.812 166 D CB -0.033 40.783 40.800 0.026 0.000 1.190 166 D HN 0.151 nan 8.370 nan 0.000 0.524 167 G N 0.716 109.534 108.800 0.030 0.000 2.179 167 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 167 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 167 G C 0.116 175.035 174.900 0.032 0.000 0.977 167 G CA 0.253 45.370 45.100 0.029 0.000 0.641 167 G HN 0.429 nan 8.290 nan 0.000 0.533 168 K N 1.568 121.989 120.400 0.035 0.000 2.368 168 K HA 0.414 4.734 4.320 -0.000 0.000 0.282 168 K C -2.142 174.485 176.600 0.044 0.000 1.035 168 K CA -1.489 54.821 56.287 0.038 0.000 0.973 168 K CB 0.787 33.309 32.500 0.037 0.000 0.957 168 K HN 0.090 nan 8.250 nan 0.000 0.474 169 P HA -0.024 nan 4.420 nan 0.000 0.269 169 P C -0.581 176.755 177.300 0.060 0.000 1.209 169 P CA -0.299 62.834 63.100 0.054 0.000 0.776 169 P CB 0.515 32.253 31.700 0.062 0.000 0.876 170 C N 3.481 122.816 119.300 0.059 0.000 2.874 170 C HA 0.434 4.894 4.460 -0.000 0.000 0.523 170 C C 0.485 175.513 174.990 0.064 0.000 1.234 170 C CA -0.122 58.936 59.018 0.067 0.000 1.485 170 C CB -1.694 26.094 27.740 0.080 0.000 1.916 170 C HN 0.364 nan 8.230 nan 0.000 0.630 171 V N 1.100 121.061 119.914 0.079 0.000 2.969 171 V HA 0.941 5.061 4.120 -0.000 0.000 0.304 171 V C -0.997 175.185 176.094 0.147 0.000 1.192 171 V CA 0.128 62.498 62.300 0.116 0.000 0.962 171 V CB 2.102 34.028 31.823 0.171 0.000 1.045 171 V HN 0.636 nan 8.190 nan 0.000 0.428 172 A N 4.286 127.184 122.820 0.131 0.000 2.586 172 A HA 0.660 4.980 4.320 -0.000 0.000 0.291 172 A C -1.928 175.564 177.584 -0.153 0.000 1.062 172 A CA -0.559 51.518 52.037 0.067 0.000 0.666 172 A CB 1.050 20.037 19.000 -0.022 0.000 1.281 172 A HN 1.555 nan 8.150 nan 0.000 0.421 173 Y N 2.387 122.298 120.300 -0.649 0.000 2.496 173 Y HA 0.290 4.840 4.550 0.000 0.000 0.334 173 Y C 1.151 176.769 175.900 -0.470 0.000 1.080 173 Y CA -0.253 57.303 58.100 -0.906 0.000 1.355 173 Y CB 0.541 38.394 38.460 -1.012 0.000 1.193 173 Y HN 0.582 nan 8.280 nan 0.000 0.523 174 M N 4.099 123.244 119.600 -0.760 0.000 2.357 174 M HA 0.239 4.719 4.480 -0.000 0.000 0.266 174 M C 1.032 176.781 176.300 -0.917 0.000 1.095 174 M CA 1.233 56.123 55.300 -0.683 0.000 1.156 174 M CB -0.852 31.429 32.600 -0.532 0.000 1.365 174 M HN 0.862 nan 8.290 nan 0.000 0.447 175 G N -0.741 107.211 108.800 -1.413 0.000 2.339 175 G HA2 0.361 4.321 3.960 -0.000 0.000 0.275 175 G HA3 0.361 4.321 3.960 -0.000 0.000 0.275 175 G C -1.550 172.872 174.900 -0.796 0.000 1.323 175 G CA -0.495 43.894 45.100 -1.186 0.000 0.927 175 G HN 0.461 nan 8.290 nan 0.000 0.486 176 A N -0.100 122.518 122.820 -0.336 0.000 2.366 176 A HA 0.634 4.954 4.320 -0.000 0.000 0.249 176 A C 1.287 178.803 177.584 -0.114 0.000 1.084 176 A CA 1.262 53.278 52.037 -0.035 0.000 0.794 176 A CB -0.361 18.752 19.000 0.188 0.000 1.034 176 A HN 2.668 nan 8.150 nan 0.000 0.491 177 N N -0.017 118.706 118.700 0.038 0.000 1.482 177 N HA -0.321 4.419 4.740 -0.000 0.000 0.143 177 N C 0.987 176.479 175.510 -0.031 0.000 0.494 177 N CA 2.494 55.597 53.050 0.089 0.000 1.128 177 N CB -1.422 37.191 38.487 0.209 0.000 1.360 177 N HN 1.149 nan 8.380 nan 0.000 0.441 178 G N -1.120 107.692 108.800 0.021 0.000 3.181 178 G HA2 0.471 4.431 3.960 -0.000 0.000 0.219 178 G HA3 0.471 4.431 3.960 -0.000 0.000 0.219 178 G C 1.328 175.943 174.900 -0.474 0.000 1.182 178 G CA 0.770 45.865 45.100 -0.009 0.000 0.791 178 G HN 0.918 nan 8.290 nan 0.000 0.537 179 A N 0.956 123.110 122.820 -1.109 0.000 1.908 179 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 179 A C 2.602 179.721 177.584 -0.775 0.000 1.181 179 A CA 2.157 53.203 52.037 -1.651 0.000 0.627 179 A CB -0.809 17.221 19.000 -1.618 0.000 0.818 179 A HN 0.456 nan 8.150 nan 0.000 0.445 180 G N -1.391 107.080 108.800 -0.548 0.000 2.404 180 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 180 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 180 G C 1.402 176.179 174.900 -0.205 0.000 1.174 180 G CA 1.152 46.030 45.100 -0.370 0.000 0.780 180 G HN 0.764 nan 8.290 nan 0.000 0.537 181 H N -2.007 117.002 119.070 -0.102 0.000 2.457 181 H HA -0.042 4.514 4.556 -0.000 0.000 0.294 181 H C 2.156 177.505 175.328 0.036 0.000 1.064 181 H CA 1.081 57.135 56.048 0.010 0.000 1.330 181 H CB 0.008 29.820 29.762 0.082 0.000 1.395 181 H HN 0.419 nan 8.280 nan 0.000 0.541 182 Y N 0.624 120.880 120.300 -0.073 0.000 2.163 182 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 182 Y C 2.325 178.171 175.900 -0.091 0.000 1.136 182 Y CA 1.073 59.053 58.100 -0.199 0.000 1.147 182 Y CB -0.373 37.772 38.460 -0.525 0.000 0.987 182 Y HN -0.052 nan 8.280 nan 0.000 0.509 183 V N 0.573 120.542 119.914 0.092 0.000 2.343 183 V HA -0.293 3.826 4.120 -0.000 0.000 0.247 183 V C 2.312 178.499 176.094 0.156 0.000 1.051 183 V CA 2.238 64.607 62.300 0.116 0.000 1.036 183 V CB -0.678 31.147 31.823 0.004 0.000 0.654 183 V HN 0.243 nan 8.190 nan 0.000 0.451 184 K N 0.406 120.858 120.400 0.087 0.000 2.097 184 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 184 K C 2.118 178.748 176.600 0.050 0.000 1.049 184 K CA 1.847 58.162 56.287 0.047 0.000 0.933 184 K CB -0.487 32.034 32.500 0.034 0.000 0.717 184 K HN 0.450 nan 8.250 nan 0.000 0.442 185 M N -0.302 119.318 119.600 0.033 0.000 2.086 185 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 185 M C 1.571 177.813 176.300 -0.096 0.000 1.067 185 M CA 1.708 57.005 55.300 -0.005 0.000 1.116 185 M CB -0.021 32.574 32.600 -0.009 0.000 1.348 185 M HN 0.029 nan 8.290 nan 0.000 0.407 186 V N 0.401 120.244 119.914 -0.118 0.000 2.343 186 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 186 V C 2.629 178.649 176.094 -0.124 0.000 1.051 186 V CA 2.234 64.469 62.300 -0.108 0.000 1.036 186 V CB -1.425 30.383 31.823 -0.024 0.000 0.654 186 V HN 0.637 nan 8.190 nan 0.000 0.451 187 H N 1.343 120.298 119.070 -0.192 0.000 2.289 187 H HA -0.242 4.314 4.556 -0.000 0.000 0.294 187 H C 2.172 177.275 175.328 -0.375 0.000 1.095 187 H CA 2.615 58.383 56.048 -0.467 0.000 1.256 187 H CB -0.270 29.255 29.762 -0.396 0.000 1.359 187 H HN 0.399 nan 8.280 nan 0.000 0.487 188 N N 0.184 118.890 118.700 0.009 0.000 2.244 188 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 188 N C 2.202 177.574 175.510 -0.230 0.000 1.016 188 N CA 1.088 54.109 53.050 -0.048 0.000 0.866 188 N CB -0.926 37.554 38.487 -0.013 0.000 0.980 188 N HN 0.531 nan 8.380 nan 0.000 0.430 189 G N 1.293 109.905 108.800 -0.314 0.000 2.459 189 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 189 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 189 G C 1.558 176.298 174.900 -0.268 0.000 1.183 189 G CA 0.598 45.484 45.100 -0.357 0.000 0.776 189 G HN 0.287 nan 8.290 nan 0.000 0.552 190 I N 0.880 121.256 120.570 -0.323 0.000 2.248 190 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 190 I C 2.712 178.641 176.117 -0.313 0.000 1.107 190 I CA 1.742 62.802 61.300 -0.399 0.000 1.373 190 I CB -0.217 37.381 38.000 -0.670 0.000 1.055 190 I HN 0.409 nan 8.210 nan 0.000 0.418 191 E N 0.602 120.627 120.200 -0.292 0.000 2.072 191 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 191 E C 2.274 178.881 176.600 0.012 0.000 0.985 191 E CA 1.337 57.641 56.400 -0.161 0.000 0.801 191 E CB -0.163 29.431 29.700 -0.176 0.000 0.750 191 E HN 0.415 nan 8.360 nan 0.000 0.452 192 Y N 0.598 120.790 120.300 -0.181 0.000 2.207 192 Y HA -0.059 4.491 4.550 -0.000 0.000 0.287 192 Y C 2.483 178.302 175.900 -0.135 0.000 1.156 192 Y CA 1.358 59.368 58.100 -0.150 0.000 1.182 192 Y CB -0.997 37.360 38.460 -0.171 0.000 0.979 192 Y HN 0.214 nan 8.280 nan 0.000 0.521 193 G N -0.568 108.243 108.800 0.018 0.000 2.402 193 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 193 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 193 G C 1.269 176.148 174.900 -0.035 0.000 1.162 193 G CA 1.181 46.257 45.100 -0.039 0.000 0.777 193 G HN 0.282 nan 8.290 nan 0.000 0.539 194 D N 0.337 120.727 120.400 -0.015 0.000 2.097 194 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 194 D C 2.640 178.948 176.300 0.014 0.000 0.984 194 D CA 0.764 54.783 54.000 0.032 0.000 0.826 194 D CB -0.253 40.593 40.800 0.077 0.000 0.973 194 D HN 0.258 nan 8.370 nan 0.000 0.460 195 M N -0.111 119.480 119.600 -0.015 0.000 2.108 195 M HA -0.229 4.251 4.480 -0.000 0.000 0.261 195 M C 2.153 178.429 176.300 -0.040 0.000 1.066 195 M CA 1.352 56.627 55.300 -0.042 0.000 1.107 195 M CB -0.132 32.411 32.600 -0.095 0.000 1.356 195 M HN -0.063 nan 8.290 nan 0.000 0.406 196 Q N 0.815 120.586 119.800 -0.047 0.000 2.119 196 Q HA -0.056 4.284 4.340 -0.000 0.000 0.201 196 Q C 1.709 177.677 176.000 -0.053 0.000 0.972 196 Q CA 1.596 57.374 55.803 -0.040 0.000 0.847 196 Q CB -0.369 28.344 28.738 -0.043 0.000 0.903 196 Q HN 0.546 nan 8.270 nan 0.000 0.433 197 L N -0.463 120.696 121.223 -0.106 0.000 2.046 197 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 197 L C 2.302 179.151 176.870 -0.034 0.000 1.077 197 L CA 1.027 55.719 54.840 -0.247 0.000 0.747 197 L CB -0.381 41.518 42.059 -0.266 0.000 0.896 197 L HN 0.264 nan 8.230 nan 0.000 0.432 198 I N -0.297 120.329 120.570 0.092 0.000 2.226 198 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 198 I C 2.770 179.039 176.117 0.254 0.000 1.100 198 I CA 1.183 62.630 61.300 0.244 0.000 1.374 198 I CB -0.409 37.683 38.000 0.153 0.000 1.057 198 I HN 0.207 nan 8.210 nan 0.000 0.413 199 A N 0.372 123.274 122.820 0.137 0.000 1.877 199 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 199 A C 2.209 179.951 177.584 0.262 0.000 1.186 199 A CA 1.791 53.934 52.037 0.177 0.000 0.620 199 A CB -0.616 18.436 19.000 0.087 0.000 0.822 199 A HN 0.436 nan 8.150 nan 0.000 0.443 200 E N -0.038 120.284 120.200 0.204 0.000 2.077 200 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 200 E C 2.358 179.181 176.600 0.372 0.000 0.989 200 E CA 1.391 57.947 56.400 0.260 0.000 0.800 200 E CB -0.147 29.702 29.700 0.248 0.000 0.746 200 E HN 0.623 nan 8.360 nan 0.000 0.452 201 S N 0.482 116.468 115.700 0.476 0.000 2.356 201 S HA -0.214 4.256 4.470 -0.000 0.000 0.223 201 S C 1.768 176.603 174.600 0.391 0.000 1.032 201 S CA 1.285 59.788 58.200 0.503 0.000 1.005 201 S CB -0.519 63.056 63.200 0.625 0.000 0.867 201 S HN 0.372 nan 8.310 nan 0.000 0.449 202 Y N 2.699 123.196 120.300 0.329 0.000 2.114 202 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 202 Y C 2.109 178.079 175.900 0.117 0.000 1.165 202 Y CA 1.949 60.185 58.100 0.227 0.000 1.148 202 Y CB -0.770 37.780 38.460 0.149 0.000 0.972 202 Y HN 0.154 nan 8.280 nan 0.000 0.504 203 D N -0.089 120.310 120.400 -0.003 0.000 2.123 203 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 203 D C 2.265 178.505 176.300 -0.100 0.000 0.992 203 D CA 1.649 55.575 54.000 -0.124 0.000 0.833 203 D CB -0.354 40.463 40.800 0.029 0.000 0.954 203 D HN 0.475 nan 8.370 nan 0.000 0.455 204 L N -0.169 121.052 121.223 -0.004 0.000 2.017 204 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 204 L C 2.614 179.424 176.870 -0.100 0.000 1.073 204 L CA 0.678 55.495 54.840 -0.038 0.000 0.745 204 L CB -0.391 41.664 42.059 -0.006 0.000 0.894 204 L HN 0.106 nan 8.230 nan 0.000 0.432 205 L N -0.304 120.870 121.223 -0.083 0.000 2.141 205 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 205 L C 2.660 179.435 176.870 -0.158 0.000 1.094 205 L CA 1.266 56.035 54.840 -0.119 0.000 0.763 205 L CB -0.410 41.601 42.059 -0.080 0.000 0.908 205 L HN 0.265 nan 8.230 nan 0.000 0.437 206 K N -0.076 120.190 120.400 -0.224 0.000 2.067 206 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 206 K C 2.342 178.842 176.600 -0.168 0.000 1.048 206 K CA 0.651 56.788 56.287 -0.250 0.000 0.954 206 K CB 0.201 32.418 32.500 -0.472 0.000 0.737 206 K HN 0.125 nan 8.250 nan 0.000 0.444 207 R N 0.030 120.439 120.500 -0.151 0.000 2.080 207 R HA 0.115 4.455 4.340 -0.000 0.000 0.222 207 R C 2.255 178.515 176.300 -0.066 0.000 1.107 207 R CA 0.973 57.017 56.100 -0.094 0.000 0.980 207 R CB 0.053 30.308 30.300 -0.075 0.000 0.879 207 R HN 0.239 nan 8.270 nan 0.000 0.439 208 I N 0.264 120.780 120.570 -0.089 0.000 2.512 208 I HA -0.125 4.045 4.170 -0.000 0.000 0.247 208 I C 1.913 177.955 176.117 -0.125 0.000 1.094 208 I CA 0.738 61.986 61.300 -0.087 0.000 1.427 208 I CB 0.000 37.922 38.000 -0.130 0.000 1.149 208 I HN 0.050 nan 8.210 nan 0.000 0.438 209 L N 0.845 121.941 121.223 -0.211 0.000 2.492 209 L HA 0.150 4.490 4.340 -0.000 0.000 0.223 209 L C 1.404 178.222 176.870 -0.087 0.000 1.132 209 L CA 0.622 55.334 54.840 -0.213 0.000 0.850 209 L CB -0.646 41.255 42.059 -0.265 0.000 0.966 209 L HN 0.558 nan 8.230 nan 0.000 0.454 210 G N 1.091 109.844 108.800 -0.078 0.000 2.198 210 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 210 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 210 G C 0.153 175.020 174.900 -0.054 0.000 1.025 210 G CA -0.046 45.024 45.100 -0.051 0.000 0.769 210 G HN 0.248 nan 8.290 nan 0.000 0.507 211 L N 1.069 122.245 121.223 -0.079 0.000 2.395 211 L HA 0.525 4.864 4.340 -0.000 0.000 0.269 211 L C 1.518 178.347 176.870 -0.067 0.000 1.133 211 L CA -0.151 54.647 54.840 -0.069 0.000 0.812 211 L CB 1.220 43.228 42.059 -0.085 0.000 1.125 211 L HN 0.445 nan 8.230 nan 0.000 0.452 212 S N 0.854 116.524 115.700 -0.050 0.000 2.608 212 S HA 0.127 4.597 4.470 -0.000 0.000 0.261 212 S C 0.829 175.374 174.600 -0.091 0.000 1.314 212 S CA -0.694 57.474 58.200 -0.054 0.000 0.992 212 S CB 0.751 63.941 63.200 -0.016 0.000 0.935 212 S HN 0.600 nan 8.310 nan 0.000 0.564 213 N N 0.979 119.563 118.700 -0.193 0.000 2.309 213 N HA -0.037 4.703 4.740 -0.000 0.000 0.182 213 N C 1.899 177.290 175.510 -0.197 0.000 1.018 213 N CA 1.354 54.219 53.050 -0.308 0.000 0.876 213 N CB -1.121 36.837 38.487 -0.881 0.000 0.972 213 N HN 0.779 nan 8.380 nan 0.000 0.434 214 A N 1.409 124.171 122.820 -0.097 0.000 1.873 214 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 214 A C 2.110 179.681 177.584 -0.022 0.000 1.186 214 A CA 1.310 53.348 52.037 0.002 0.000 0.616 214 A CB -0.491 18.548 19.000 0.064 0.000 0.823 214 A HN 0.298 nan 8.150 nan 0.000 0.442 215 E N -0.347 119.832 120.200 -0.034 0.000 2.077 215 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 215 E C 1.865 178.420 176.600 -0.075 0.000 0.989 215 E CA 1.293 57.663 56.400 -0.051 0.000 0.800 215 E CB -0.279 29.390 29.700 -0.051 0.000 0.746 215 E HN 0.695 nan 8.360 nan 0.000 0.452 216 I N 0.991 121.530 120.570 -0.051 0.000 2.315 216 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 216 I C 2.765 178.918 176.117 0.060 0.000 1.117 216 I CA 0.745 62.041 61.300 -0.006 0.000 1.404 216 I CB -0.206 37.864 38.000 0.118 0.000 1.071 216 I HN 0.155 nan 8.210 nan 0.000 0.419 217 Q N 1.512 121.323 119.800 0.019 0.000 2.020 217 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 217 Q C 2.374 178.374 176.000 0.000 0.000 0.982 217 Q CA 2.308 58.122 55.803 0.019 0.000 0.838 217 Q CB -0.191 28.540 28.738 -0.012 0.000 0.899 217 Q HN 0.515 nan 8.270 nan 0.000 0.423 218 A N 0.945 123.743 122.820 -0.037 0.000 1.917 218 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 218 A C 2.207 179.707 177.584 -0.141 0.000 1.182 218 A CA 1.666 53.666 52.037 -0.061 0.000 0.633 218 A CB -0.827 18.140 19.000 -0.055 0.000 0.819 218 A HN 0.461 nan 8.150 nan 0.000 0.448 219 I N -1.993 118.421 120.570 -0.259 0.000 2.127 219 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 219 I C 2.267 177.886 176.117 -0.829 0.000 1.075 219 I CA 1.632 62.580 61.300 -0.587 0.000 1.334 219 I CB -0.418 37.118 38.000 -0.772 0.000 1.040 219 I HN 0.325 nan 8.210 nan 0.000 0.405 220 F N 0.850 120.443 119.950 -0.595 0.000 2.202 220 F HA -0.224 4.303 4.527 -0.000 0.000 0.301 220 F C 2.516 178.251 175.800 -0.108 0.000 1.082 220 F CA 1.537 59.336 58.000 -0.336 0.000 1.313 220 F CB -0.434 38.456 39.000 -0.184 0.000 1.024 220 F HN 0.099 nan 8.300 nan 0.000 0.495 221 E N -0.136 120.092 120.200 0.047 0.000 2.077 221 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 221 E C 2.066 178.701 176.600 0.059 0.000 0.989 221 E CA 1.269 57.699 56.400 0.050 0.000 0.800 221 E CB -0.002 29.707 29.700 0.016 0.000 0.746 221 E HN 0.268 nan 8.360 nan 0.000 0.452 222 E N -0.488 119.722 120.200 0.015 0.000 2.072 222 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 222 E C 1.432 178.166 176.600 0.223 0.000 0.982 222 E CA 1.073 57.521 56.400 0.080 0.000 0.803 222 E CB -0.198 29.529 29.700 0.044 0.000 0.755 222 E HN 0.307 nan 8.360 nan 0.000 0.453 223 W N 0.926 122.221 121.300 -0.008 0.000 2.338 223 W HA -0.067 4.593 4.660 -0.000 0.000 0.304 223 W C 2.072 178.614 176.519 0.038 0.000 1.212 223 W CA 1.323 58.663 57.345 -0.007 0.000 1.264 223 W CB -1.395 28.042 29.460 -0.039 0.000 1.142 223 W HN 0.224 nan 8.180 nan 0.000 0.512 224 N N 0.320 119.201 118.700 0.302 0.000 2.453 224 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 224 N C 1.344 176.936 175.510 0.136 0.000 1.041 224 N CA 1.242 54.414 53.050 0.203 0.000 0.900 224 N CB -0.131 38.456 38.487 0.166 0.000 0.961 224 N HN 0.237 nan 8.380 nan 0.000 0.443 225 E N -1.139 119.135 120.200 0.125 0.000 2.299 225 E HA 0.072 4.422 4.350 -0.000 0.000 0.193 225 E C 1.075 177.717 176.600 0.071 0.000 0.998 225 E CA 0.484 56.936 56.400 0.086 0.000 0.851 225 E CB 0.150 29.895 29.700 0.075 0.000 0.795 225 E HN 0.333 nan 8.360 nan 0.000 0.492 226 G N 1.300 110.144 108.800 0.073 0.000 2.695 226 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.213 226 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.213 226 G C 0.628 175.525 174.900 -0.004 0.000 1.406 226 G CA -0.169 44.943 45.100 0.021 0.000 1.049 226 G HN 0.170 nan 8.290 nan 0.000 0.573 227 E N -0.504 119.633 120.200 -0.104 0.000 2.333 227 E HA -0.053 4.296 4.350 -0.000 0.000 0.198 227 E C 1.996 178.561 176.600 -0.059 0.000 1.007 227 E CA 0.521 56.825 56.400 -0.160 0.000 0.845 227 E CB -0.149 29.267 29.700 -0.474 0.000 0.766 227 E HN 0.341 nan 8.360 nan 0.000 0.507 228 L N 1.494 122.706 121.223 -0.018 0.000 2.478 228 L HA -0.017 4.323 4.340 -0.000 0.000 0.223 228 L C 0.733 177.724 176.870 0.202 0.000 1.140 228 L CA -0.042 54.904 54.840 0.177 0.000 0.842 228 L CB -0.345 41.808 42.059 0.158 0.000 0.953 228 L HN 0.070 nan 8.230 nan 0.000 0.452 229 D N 1.558 122.047 120.400 0.147 0.000 3.941 229 D HA -0.107 4.533 4.640 -0.000 0.000 0.225 229 D C -0.126 176.249 176.300 0.126 0.000 1.298 229 D CA 0.663 54.740 54.000 0.129 0.000 0.835 229 D CB 0.225 41.084 40.800 0.098 0.000 1.205 229 D HN 0.299 nan 8.370 nan 0.000 0.644 230 S N 2.672 118.454 115.700 0.135 0.000 2.588 230 S HA 0.208 4.678 4.470 -0.000 0.000 0.269 230 S C 0.351 175.035 174.600 0.140 0.000 1.157 230 S CA -0.910 57.372 58.200 0.136 0.000 0.824 230 S CB 0.558 63.849 63.200 0.152 0.000 1.126 230 S HN 0.348 nan 8.310 nan 0.000 0.464 231 Y N 1.423 121.750 120.300 0.046 0.000 2.145 231 Y HA 0.009 4.559 4.550 -0.000 0.000 0.286 231 Y C 1.806 177.720 175.900 0.023 0.000 1.145 231 Y CA 1.928 60.046 58.100 0.030 0.000 1.148 231 Y CB -0.385 38.084 38.460 0.014 0.000 0.981 231 Y HN 0.675 nan 8.280 nan 0.000 0.507 232 L N -0.484 120.783 121.223 0.074 0.000 2.083 232 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 232 L C 2.370 179.193 176.870 -0.079 0.000 1.083 232 L CA 1.382 56.207 54.840 -0.024 0.000 0.752 232 L CB -0.469 41.634 42.059 0.074 0.000 0.899 232 L HN 0.293 nan 8.230 nan 0.000 0.433 233 I N -0.485 120.107 120.570 0.036 0.000 2.353 233 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 233 I C 2.576 178.692 176.117 -0.001 0.000 1.119 233 I CA 0.971 62.334 61.300 0.105 0.000 1.417 233 I CB -0.121 38.065 38.000 0.310 0.000 1.078 233 I HN 0.294 nan 8.210 nan 0.000 0.421 234 E N 1.674 121.841 120.200 -0.055 0.000 2.038 234 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 234 E C 2.248 178.727 176.600 -0.201 0.000 1.000 234 E CA 2.034 58.372 56.400 -0.104 0.000 0.803 234 E CB -0.151 29.479 29.700 -0.117 0.000 0.750 234 E HN 0.630 nan 8.360 nan 0.000 0.448 235 I N -1.435 118.919 120.570 -0.359 0.000 2.676 235 I HA -0.092 4.078 4.170 -0.000 0.000 0.259 235 I C 1.992 177.946 176.117 -0.273 0.000 1.194 235 I CA 1.133 62.228 61.300 -0.342 0.000 1.473 235 I CB -0.314 37.402 38.000 -0.474 0.000 1.096 235 I HN -0.048 nan 8.210 nan 0.000 0.443 236 T N 2.455 116.827 114.554 -0.302 0.000 2.746 236 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 236 T C 1.870 176.343 174.700 -0.378 0.000 1.039 236 T CA 2.103 63.953 62.100 -0.416 0.000 1.142 236 T CB -0.283 68.192 68.868 -0.654 0.000 0.866 236 T HN 0.588 nan 8.240 nan 0.000 0.444 237 K N 1.071 121.322 120.400 -0.248 0.000 2.209 237 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 237 K C 1.824 178.362 176.600 -0.104 0.000 1.048 237 K CA 1.230 57.442 56.287 -0.124 0.000 0.940 237 K CB -0.040 32.449 32.500 -0.018 0.000 0.729 237 K HN 0.190 nan 8.250 nan 0.000 0.451 238 E N 1.146 121.275 120.200 -0.120 0.000 2.072 238 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 238 E C 2.285 178.833 176.600 -0.086 0.000 0.982 238 E CA 0.879 57.226 56.400 -0.088 0.000 0.803 238 E CB -0.303 29.339 29.700 -0.096 0.000 0.755 238 E HN 0.153 nan 8.360 nan 0.000 0.453 239 V N 1.665 121.500 119.914 -0.131 0.000 2.332 239 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 239 V C 2.412 178.449 176.094 -0.095 0.000 1.055 239 V CA 1.348 63.575 62.300 -0.123 0.000 1.038 239 V CB -0.431 31.282 31.823 -0.183 0.000 0.651 239 V HN 0.204 nan 8.190 nan 0.000 0.450 240 L N -0.766 120.375 121.223 -0.136 0.000 2.551 240 L HA -0.097 4.243 4.340 -0.000 0.000 0.228 240 L C 2.320 179.198 176.870 0.015 0.000 1.153 240 L CA 1.034 55.802 54.840 -0.119 0.000 0.851 240 L CB -0.458 41.498 42.059 -0.171 0.000 0.959 240 L HN 0.309 nan 8.230 nan 0.000 0.451 241 K N -0.405 120.023 120.400 0.047 0.000 2.116 241 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 241 K C 0.522 177.218 176.600 0.160 0.000 1.052 241 K CA 0.345 56.701 56.287 0.115 0.000 0.952 241 K CB 0.163 32.689 32.500 0.043 0.000 0.729 241 K HN 0.096 nan 8.250 nan 0.000 0.446 242 R N 2.248 122.813 120.500 0.109 0.000 2.543 242 R HA 0.146 4.486 4.340 -0.000 0.000 0.277 242 R C 0.191 176.526 176.300 0.059 0.000 1.074 242 R CA 0.127 56.261 56.100 0.056 0.000 1.076 242 R CB 0.312 30.624 30.300 0.021 0.000 0.993 242 R HN -0.035 nan 8.270 nan 0.000 0.459 243 K N 0.987 121.360 120.400 -0.044 0.000 2.106 243 K HA 0.154 4.474 4.320 -0.000 0.000 0.246 243 K C -0.170 176.395 176.600 -0.058 0.000 0.987 243 K CA -0.938 55.273 56.287 -0.127 0.000 0.904 243 K CB 1.039 33.423 32.500 -0.194 0.000 1.071 243 K HN 0.433 nan 8.250 nan 0.000 0.453 244 D N 1.594 121.959 120.400 -0.058 0.000 2.458 244 D HA -0.063 4.577 4.640 -0.000 0.000 0.243 244 D C 0.434 176.717 176.300 -0.029 0.000 1.146 244 D CA 0.095 54.081 54.000 -0.025 0.000 0.877 244 D CB 0.669 41.459 40.800 -0.017 0.000 1.176 244 D HN 0.459 nan 8.370 nan 0.000 0.461 245 D N 2.247 122.636 120.400 -0.019 0.000 2.349 245 D HA -0.081 4.559 4.640 -0.000 0.000 0.215 245 D C 0.006 176.296 176.300 -0.016 0.000 1.016 245 D CA 0.482 54.471 54.000 -0.018 0.000 0.870 245 D CB -0.014 40.777 40.800 -0.014 0.000 0.917 245 D HN 0.586 nan 8.370 nan 0.000 0.524 246 E N 0.021 120.213 120.200 -0.013 0.000 3.306 246 E HA 0.502 4.852 4.350 -0.000 0.000 0.197 246 E C 0.236 176.829 176.600 -0.011 0.000 0.980 246 E CA -0.449 55.945 56.400 -0.011 0.000 1.259 246 E CB 1.190 30.886 29.700 -0.007 0.000 1.112 246 E HN 0.287 nan 8.360 nan 0.000 0.458 247 G N 0.640 109.431 108.800 -0.016 0.000 2.343 247 G HA2 0.021 3.981 3.960 -0.000 0.000 0.289 247 G HA3 0.021 3.981 3.960 -0.000 0.000 0.289 247 G C -1.397 173.488 174.900 -0.026 0.000 1.295 247 G CA -0.872 44.218 45.100 -0.016 0.000 0.869 247 G HN -0.050 nan 8.290 nan 0.000 0.522 248 E N -0.154 120.031 120.200 -0.025 0.000 2.318 248 E HA 0.656 5.005 4.350 -0.000 0.000 0.265 248 E C 0.788 177.364 176.600 -0.040 0.000 1.069 248 E CA 0.791 57.167 56.400 -0.041 0.000 0.893 248 E CB 1.313 30.994 29.700 -0.032 0.000 1.076 248 E HN 2.040 nan 8.360 nan 0.000 0.414 249 G N 0.612 109.361 108.800 -0.085 0.000 2.500 249 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.209 249 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.209 249 G C -1.386 173.423 174.900 -0.153 0.000 1.283 249 G CA -0.799 44.255 45.100 -0.076 0.000 0.960 249 G HN 0.352 nan 8.290 nan 0.000 0.528 250 Y N -0.402 119.898 120.300 0.001 0.000 2.342 250 Y HA 0.538 5.088 4.550 -0.000 0.000 0.334 250 Y C 1.635 177.530 175.900 -0.009 0.000 1.067 250 Y CA -0.019 58.078 58.100 -0.004 0.000 1.128 250 Y CB 1.576 40.037 38.460 0.002 0.000 1.200 250 Y HN 0.605 nan 8.280 nan 0.000 0.464 251 I N 2.485 123.132 120.570 0.129 0.000 2.208 251 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 251 I C 2.044 178.194 176.117 0.054 0.000 1.097 251 I CA 1.469 62.806 61.300 0.062 0.000 1.363 251 I CB -0.435 37.581 38.000 0.027 0.000 1.051 251 I HN 0.602 nan 8.210 nan 0.000 0.413 252 V N 0.647 120.594 119.914 0.056 0.000 2.568 252 V HA -0.263 3.857 4.120 -0.000 0.000 0.253 252 V C 1.747 177.860 176.094 0.031 0.000 1.072 252 V CA 2.432 64.729 62.300 -0.004 0.000 1.084 252 V CB -0.768 31.004 31.823 -0.085 0.000 0.676 252 V HN 0.454 nan 8.190 nan 0.000 0.469 253 D N -0.555 119.894 120.400 0.081 0.000 2.347 253 D HA -0.011 4.629 4.640 -0.000 0.000 0.215 253 D C 1.852 178.190 176.300 0.063 0.000 0.976 253 D CA 0.535 54.587 54.000 0.086 0.000 0.884 253 D CB 0.016 40.887 40.800 0.118 0.000 0.915 253 D HN 0.404 nan 8.370 nan 0.000 0.526 254 K N 0.124 120.555 120.400 0.052 0.000 2.358 254 K HA 0.213 4.533 4.320 -0.000 0.000 0.197 254 K C 0.712 177.324 176.600 0.021 0.000 1.025 254 K CA -0.201 56.106 56.287 0.034 0.000 1.104 254 K CB 1.190 33.708 32.500 0.029 0.000 0.855 254 K HN 0.190 nan 8.250 nan 0.000 0.531 255 I N 2.197 122.777 120.570 0.016 0.000 2.395 255 I HA 0.032 4.202 4.170 -0.000 0.000 0.289 255 I C 0.152 176.275 176.117 0.010 0.000 1.023 255 I CA -0.884 60.419 61.300 0.004 0.000 1.350 255 I CB 0.668 38.661 38.000 -0.012 0.000 1.409 255 I HN -0.138 nan 8.210 nan 0.000 0.507 256 L N 7.265 128.492 121.223 0.007 0.000 2.410 256 L HA 0.095 4.434 4.340 -0.000 0.000 0.273 256 L C 0.517 177.394 176.870 0.012 0.000 1.152 256 L CA -0.063 54.784 54.840 0.011 0.000 0.855 256 L CB 0.382 42.446 42.059 0.007 0.000 1.129 256 L HN 0.576 nan 8.230 nan 0.000 0.463 257 D N 4.263 124.677 120.400 0.023 0.000 2.885 257 D HA 0.001 4.641 4.640 -0.000 0.000 0.234 257 D C -0.557 175.762 176.300 0.031 0.000 1.129 257 D CA 0.077 54.095 54.000 0.029 0.000 0.991 257 D CB -0.465 40.362 40.800 0.045 0.000 1.137 257 D HN 0.417 nan 8.370 nan 0.000 0.459 258 K N 0.687 121.099 120.400 0.019 0.000 2.527 258 K HA 0.499 4.819 4.320 -0.000 0.000 0.240 258 K C -0.563 176.043 176.600 0.010 0.000 0.989 258 K CA -0.736 55.566 56.287 0.024 0.000 0.985 258 K CB 1.871 34.380 32.500 0.015 0.000 1.221 258 K HN 0.217 nan 8.250 nan 0.000 0.458 259 A N 2.208 125.036 122.820 0.014 0.000 2.454 259 A HA 0.429 4.749 4.320 -0.000 0.000 0.260 259 A C 0.569 178.148 177.584 -0.009 0.000 1.106 259 A CA -0.040 51.986 52.037 -0.019 0.000 0.780 259 A CB 0.264 19.241 19.000 -0.038 0.000 1.044 259 A HN 0.740 nan 8.150 nan 0.000 0.498 260 G N 1.418 110.194 108.800 -0.040 0.000 2.477 260 G HA2 0.513 4.473 3.960 -0.000 0.000 0.304 260 G HA3 0.513 4.473 3.960 -0.000 0.000 0.304 260 G C -0.355 174.512 174.900 -0.054 0.000 1.175 260 G CA -0.289 44.793 45.100 -0.029 0.000 0.907 260 G HN 1.259 nan 8.290 nan 0.000 0.509 261 N N -2.040 116.651 118.700 -0.015 0.000 2.484 261 N HA 0.388 5.127 4.740 -0.000 0.000 0.269 261 N C -0.502 174.993 175.510 -0.024 0.000 1.237 261 N CA -0.927 52.123 53.050 -0.000 0.000 0.838 261 N CB 2.094 40.645 38.487 0.106 0.000 1.593 261 N HN 0.345 nan 8.380 nan 0.000 0.485 262 K N 0.156 120.518 120.400 -0.063 0.000 2.501 262 K HA 0.345 4.664 4.320 -0.000 0.000 0.204 262 K C 0.347 176.721 176.600 -0.377 0.000 1.067 262 K CA 0.073 56.271 56.287 -0.149 0.000 1.060 262 K CB 1.306 33.745 32.500 -0.102 0.000 0.873 262 K HN 0.855 nan 8.250 nan 0.000 0.540 263 G N 1.302 109.808 108.800 -0.491 0.000 2.296 263 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.188 263 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.188 263 G C 1.104 175.127 174.900 -1.463 0.000 1.000 263 G CA 0.411 44.918 45.100 -0.988 0.000 0.672 263 G HN 0.269 nan 8.290 nan 0.000 0.483 264 T N -0.859 113.118 114.554 -0.961 0.000 2.746 264 T HA 0.148 4.498 4.350 -0.000 0.000 0.267 264 T C 2.489 176.865 174.700 -0.540 0.000 1.039 264 T CA 2.053 63.799 62.100 -0.591 0.000 1.142 264 T CB -0.744 67.971 68.868 -0.255 0.000 0.866 264 T HN 1.169 nan 8.240 nan 0.000 0.444 265 G N 1.790 110.052 108.800 -0.896 0.000 2.421 265 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 265 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 265 G C 1.526 176.081 174.900 -0.574 0.000 1.171 265 G CA 1.042 45.443 45.100 -1.166 0.000 0.775 265 G HN 0.623 nan 8.290 nan 0.000 0.543 266 K N -0.693 119.447 120.400 -0.434 0.000 2.044 266 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 266 K C 2.266 178.830 176.600 -0.061 0.000 1.049 266 K CA 1.815 57.966 56.287 -0.227 0.000 0.927 266 K CB -0.304 32.108 32.500 -0.146 0.000 0.713 266 K HN 0.402 nan 8.250 nan 0.000 0.443 267 W N 1.267 122.464 121.300 -0.171 0.000 2.363 267 W HA -0.098 4.562 4.660 -0.000 0.000 0.296 267 W C 2.305 178.803 176.519 -0.035 0.000 1.212 267 W CA 1.357 58.639 57.345 -0.105 0.000 1.260 267 W CB -1.375 27.992 29.460 -0.155 0.000 1.131 267 W HN 0.194 nan 8.180 nan 0.000 0.530 268 T N 0.130 114.724 114.554 0.066 0.000 2.652 268 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 268 T C 2.023 176.719 174.700 -0.008 0.000 1.039 268 T CA 2.254 64.332 62.100 -0.037 0.000 1.153 268 T CB -0.698 68.064 68.868 -0.176 0.000 0.863 268 T HN -0.012 nan 8.240 nan 0.000 0.428 269 S N 1.176 116.834 115.700 -0.070 0.000 2.383 269 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 269 S C 2.107 176.732 174.600 0.040 0.000 1.030 269 S CA 1.131 59.295 58.200 -0.061 0.000 1.002 269 S CB -0.307 62.785 63.200 -0.180 0.000 0.829 269 S HN 0.588 nan 8.310 nan 0.000 0.467 270 E N 0.612 120.872 120.200 0.101 0.000 2.106 270 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 270 E C 2.243 178.964 176.600 0.201 0.000 0.984 270 E CA 1.052 57.550 56.400 0.162 0.000 0.806 270 E CB -0.168 29.660 29.700 0.213 0.000 0.750 270 E HN 0.381 nan 8.360 nan 0.000 0.458 271 S N 0.277 116.129 115.700 0.252 0.000 2.383 271 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 271 S C 2.085 176.830 174.600 0.242 0.000 1.026 271 S CA 0.988 59.386 58.200 0.330 0.000 0.981 271 S CB -0.117 63.351 63.200 0.447 0.000 0.818 271 S HN 0.322 nan 8.310 nan 0.000 0.472 272 A N 1.452 124.373 122.820 0.168 0.000 1.908 272 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 272 A C 2.183 179.835 177.584 0.112 0.000 1.181 272 A CA 1.579 53.689 52.037 0.123 0.000 0.627 272 A CB -0.855 18.189 19.000 0.072 0.000 0.818 272 A HN 0.574 nan 8.150 nan 0.000 0.445 273 L N -0.839 120.451 121.223 0.111 0.000 2.093 273 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 273 L C 2.353 179.286 176.870 0.104 0.000 1.085 273 L CA 1.605 56.507 54.840 0.104 0.000 0.755 273 L CB -0.415 41.708 42.059 0.107 0.000 0.904 273 L HN 0.386 nan 8.230 nan 0.000 0.435 274 D N 0.006 120.482 120.400 0.126 0.000 2.149 274 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 274 D C 2.133 178.485 176.300 0.086 0.000 0.972 274 D CA 1.092 55.161 54.000 0.115 0.000 0.835 274 D CB 0.126 41.020 40.800 0.156 0.000 0.966 274 D HN 0.204 nan 8.370 nan 0.000 0.476 275 L N -1.062 120.219 121.223 0.097 0.000 2.509 275 L HA 0.235 4.575 4.340 -0.000 0.000 0.222 275 L C 1.453 178.348 176.870 0.042 0.000 1.123 275 L CA 0.508 55.379 54.840 0.051 0.000 0.856 275 L CB 0.029 42.132 42.059 0.073 0.000 0.985 275 L HN 0.253 nan 8.230 nan 0.000 0.456 276 G N 0.551 109.388 108.800 0.061 0.000 2.149 276 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.235 276 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.235 276 G C -0.036 174.907 174.900 0.071 0.000 1.018 276 G CA -0.012 45.124 45.100 0.059 0.000 0.728 276 G HN 0.092 nan 8.290 nan 0.000 0.508 277 V N 1.876 121.839 119.914 0.082 0.000 2.394 277 V HA 0.515 4.635 4.120 -0.000 0.000 0.282 277 V C -1.382 174.771 176.094 0.099 0.000 1.031 277 V CA -1.638 60.717 62.300 0.092 0.000 0.881 277 V CB 1.620 33.499 31.823 0.093 0.000 0.982 277 V HN 0.255 nan 8.190 nan 0.000 0.451 278 P HA 0.242 nan 4.420 nan 0.000 0.276 278 P C -0.604 176.763 177.300 0.111 0.000 1.264 278 P CA -0.082 63.105 63.100 0.145 0.000 0.769 278 P CB 1.103 32.930 31.700 0.213 0.000 0.840 279 L N 7.189 128.444 121.223 0.054 0.000 2.783 279 L HA 0.327 4.667 4.340 -0.000 0.000 0.265 279 L C -1.720 175.124 176.870 -0.043 0.000 1.398 279 L CA -1.509 53.316 54.840 -0.026 0.000 0.802 279 L CB 1.222 43.265 42.059 -0.027 0.000 1.126 279 L HN 0.139 nan 8.230 nan 0.000 0.529 280 P HA -0.166 nan 4.420 nan 0.000 0.216 280 P C 1.669 178.951 177.300 -0.030 0.000 1.153 280 P CA 1.067 64.177 63.100 0.016 0.000 0.844 280 P CB 0.600 32.351 31.700 0.086 0.000 0.787 281 L N -0.574 120.593 121.223 -0.094 0.000 1.994 281 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 281 L C 2.685 179.499 176.870 -0.092 0.000 1.071 281 L CA 1.574 56.362 54.840 -0.086 0.000 0.745 281 L CB -0.621 41.359 42.059 -0.132 0.000 0.892 281 L HN -0.212 nan 8.230 nan 0.000 0.431 282 I N -0.913 119.580 120.570 -0.128 0.000 2.226 282 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 282 I C 2.308 178.318 176.117 -0.179 0.000 1.100 282 I CA 1.639 62.853 61.300 -0.144 0.000 1.374 282 I CB -0.539 37.356 38.000 -0.175 0.000 1.057 282 I HN 0.298 nan 8.210 nan 0.000 0.413 283 T N 0.036 114.475 114.554 -0.192 0.000 2.777 283 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 283 T C 1.792 176.295 174.700 -0.328 0.000 1.040 283 T CA 0.995 62.900 62.100 -0.326 0.000 1.141 283 T CB -0.175 68.548 68.868 -0.241 0.000 0.868 283 T HN 0.296 nan 8.240 nan 0.000 0.444 284 E N 1.553 121.710 120.200 -0.073 0.000 2.118 284 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 284 E C 2.654 179.259 176.600 0.009 0.000 0.992 284 E CA 1.502 57.942 56.400 0.066 0.000 0.804 284 E CB -0.303 29.445 29.700 0.079 0.000 0.741 284 E HN 0.661 nan 8.360 nan 0.000 0.458 285 S N 0.209 115.875 115.700 -0.055 0.000 2.406 285 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 285 S C 2.272 176.833 174.600 -0.066 0.000 1.020 285 S CA 0.856 59.035 58.200 -0.037 0.000 0.965 285 S CB -0.458 62.734 63.200 -0.014 0.000 0.798 285 S HN 0.025 nan 8.310 nan 0.000 0.488 286 V N 1.115 120.920 119.914 -0.180 0.000 2.295 286 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 286 V C 2.307 178.068 176.094 -0.555 0.000 1.049 286 V CA 1.824 63.903 62.300 -0.368 0.000 1.024 286 V CB -1.059 30.400 31.823 -0.608 0.000 0.648 286 V HN 0.429 nan 8.190 nan 0.000 0.447 287 F N 0.799 120.538 119.950 -0.352 0.000 2.234 287 F HA -0.033 4.494 4.527 0.000 0.000 0.299 287 F C 2.390 178.144 175.800 -0.076 0.000 1.087 287 F CA 0.712 58.572 58.000 -0.234 0.000 1.340 287 F CB -1.318 37.630 39.000 -0.086 0.000 1.031 287 F HN 0.104 nan 8.300 nan 0.000 0.500 288 A N 0.225 123.110 122.820 0.108 0.000 1.933 288 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 288 A C 2.418 180.051 177.584 0.081 0.000 1.175 288 A CA 1.380 53.467 52.037 0.083 0.000 0.628 288 A CB -0.545 18.481 19.000 0.045 0.000 0.814 288 A HN 0.290 nan 8.150 nan 0.000 0.444 289 R N -1.685 118.839 120.500 0.040 0.000 2.066 289 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 289 R C 2.020 178.477 176.300 0.262 0.000 1.131 289 R CA 1.493 57.642 56.100 0.082 0.000 0.955 289 R CB -0.543 29.762 30.300 0.009 0.000 0.851 289 R HN 0.588 nan 8.270 nan 0.000 0.432 290 Y N 0.931 121.322 120.300 0.151 0.000 2.114 290 Y HA -0.205 4.345 4.550 -0.000 0.000 0.282 290 Y C 2.245 178.289 175.900 0.241 0.000 1.165 290 Y CA 0.524 58.750 58.100 0.209 0.000 1.148 290 Y CB -0.746 37.876 38.460 0.271 0.000 0.972 290 Y HN 0.069 nan 8.280 nan 0.000 0.504 291 I N -0.089 120.668 120.570 0.313 0.000 2.546 291 I HA -0.247 3.923 4.170 -0.000 0.000 0.255 291 I C 2.384 178.630 176.117 0.215 0.000 1.163 291 I CA 1.326 62.737 61.300 0.185 0.000 1.457 291 I CB -0.224 37.808 38.000 0.053 0.000 1.092 291 I HN 0.251 nan 8.210 nan 0.000 0.434 292 S N -0.453 115.357 115.700 0.184 0.000 2.423 292 S HA -0.198 4.272 4.470 -0.000 0.000 0.231 292 S C 2.029 176.715 174.600 0.143 0.000 1.014 292 S CA 1.451 59.733 58.200 0.136 0.000 0.965 292 S CB -1.150 62.106 63.200 0.093 0.000 0.785 292 S HN 0.633 nan 8.310 nan 0.000 0.495 293 T N -2.423 112.243 114.554 0.186 0.000 2.995 293 T HA 0.033 4.382 4.350 -0.000 0.000 0.269 293 T C 0.736 175.476 174.700 0.066 0.000 1.091 293 T CA 0.313 62.478 62.100 0.108 0.000 1.128 293 T CB -0.831 68.083 68.868 0.077 0.000 0.891 293 T HN 0.433 nan 8.240 nan 0.000 0.492 294 Y N 1.914 122.236 120.300 0.037 0.000 3.007 294 Y HA 0.410 4.960 4.550 -0.000 0.000 0.390 294 Y C 1.775 177.688 175.900 0.022 0.000 1.065 294 Y CA -0.909 57.206 58.100 0.025 0.000 1.845 294 Y CB -0.230 38.248 38.460 0.029 0.000 1.828 294 Y HN 0.148 nan 8.280 nan 0.000 0.458 295 K N 0.558 121.014 120.400 0.094 0.000 2.026 295 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 295 K C 1.345 177.978 176.600 0.054 0.000 1.048 295 K CA 2.056 58.384 56.287 0.068 0.000 0.929 295 K CB -0.017 32.505 32.500 0.037 0.000 0.713 295 K HN 0.240 nan 8.250 nan 0.000 0.439 296 D N 0.635 121.053 120.400 0.030 0.000 2.123 296 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 296 D C 1.720 178.048 176.300 0.047 0.000 0.992 296 D CA 1.227 55.241 54.000 0.024 0.000 0.833 296 D CB -0.091 40.708 40.800 -0.002 0.000 0.954 296 D HN 0.439 nan 8.370 nan 0.000 0.455 297 E N 0.194 120.444 120.200 0.083 0.000 2.106 297 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 297 E C 2.220 178.871 176.600 0.084 0.000 0.984 297 E CA 0.516 56.979 56.400 0.106 0.000 0.806 297 E CB 0.082 29.904 29.700 0.202 0.000 0.750 297 E HN 0.203 nan 8.360 nan 0.000 0.458 298 R N 0.204 120.759 120.500 0.092 0.000 2.092 298 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 298 R C 2.407 178.736 176.300 0.047 0.000 1.119 298 R CA 0.754 56.894 56.100 0.067 0.000 0.970 298 R CB -0.188 30.157 30.300 0.075 0.000 0.864 298 R HN 0.018 nan 8.270 nan 0.000 0.440 299 V N 1.440 121.380 119.914 0.044 0.000 2.343 299 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 299 V C 2.084 178.194 176.094 0.028 0.000 1.051 299 V CA 1.765 64.085 62.300 0.032 0.000 1.036 299 V CB -0.351 31.488 31.823 0.027 0.000 0.654 299 V HN 0.296 nan 8.190 nan 0.000 0.451 300 K N 0.060 120.478 120.400 0.031 0.000 2.026 300 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 300 K C 2.313 178.928 176.600 0.025 0.000 1.048 300 K CA 1.467 57.770 56.287 0.026 0.000 0.929 300 K CB -0.419 32.098 32.500 0.028 0.000 0.713 300 K HN 0.466 nan 8.250 nan 0.000 0.439 301 A N 1.435 124.273 122.820 0.029 0.000 1.933 301 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 301 A C 2.150 179.746 177.584 0.020 0.000 1.175 301 A CA 2.079 54.131 52.037 0.024 0.000 0.628 301 A CB -0.665 18.350 19.000 0.025 0.000 0.814 301 A HN 0.413 nan 8.150 nan 0.000 0.444 302 S N -0.028 115.685 115.700 0.022 0.000 2.442 302 S HA -0.133 4.337 4.470 -0.000 0.000 0.236 302 S C 1.595 176.204 174.600 0.015 0.000 1.007 302 S CA 1.416 59.627 58.200 0.019 0.000 0.965 302 S CB -0.326 62.887 63.200 0.021 0.000 0.773 302 S HN 0.641 nan 8.310 nan 0.000 0.504 303 K N 0.182 120.591 120.400 0.015 0.000 2.400 303 K HA 0.242 4.562 4.320 -0.000 0.000 0.194 303 K C 1.299 177.906 176.600 0.011 0.000 1.033 303 K CA 0.564 56.858 56.287 0.013 0.000 1.021 303 K CB 0.192 32.699 32.500 0.012 0.000 0.808 303 K HN 0.305 nan 8.250 nan 0.000 0.505 304 V N 0.423 120.344 119.914 0.012 0.000 3.219 304 V HA 0.054 4.174 4.120 -0.000 0.000 0.240 304 V C 0.084 176.183 176.094 0.009 0.000 1.222 304 V CA 0.168 62.474 62.300 0.010 0.000 1.181 304 V CB 0.367 32.197 31.823 0.010 0.000 0.941 304 V HN 0.089 nan 8.190 nan 0.000 0.471 305 L N 2.398 123.627 121.223 0.010 0.000 2.281 305 L HA 0.402 4.742 4.340 -0.000 0.000 0.285 305 L C 0.672 177.547 176.870 0.009 0.000 1.074 305 L CA 0.390 55.236 54.840 0.009 0.000 0.817 305 L CB 0.558 42.622 42.059 0.009 0.000 1.168 305 L HN 0.373 nan 8.230 nan 0.000 0.434 306 S N 1.597 117.302 115.700 0.008 0.000 2.669 306 S HA 0.955 5.425 4.470 -0.000 0.000 0.270 306 S C 0.165 174.770 174.600 0.008 0.000 1.225 306 S CA -0.103 58.101 58.200 0.008 0.000 0.991 306 S CB 2.060 65.264 63.200 0.006 0.000 0.987 306 S HN 0.856 nan 8.310 nan 0.000 0.552 307 G N -0.224 108.581 108.800 0.008 0.000 2.550 307 G HA2 0.600 4.560 3.960 -0.000 0.000 0.293 307 G HA3 0.600 4.560 3.960 -0.000 0.000 0.293 307 G C -3.316 171.590 174.900 0.009 0.000 1.402 307 G CA -1.089 44.016 45.100 0.009 0.000 0.784 307 G HN 0.688 nan 8.290 nan 0.000 0.482 308 P HA 0.545 nan 4.420 nan 0.000 0.272 308 P C -0.321 176.986 177.300 0.012 0.000 1.223 308 P CA -0.113 62.993 63.100 0.011 0.000 0.784 308 P CB 1.419 33.127 31.700 0.013 0.000 0.923 309 A N 2.518 125.344 122.820 0.011 0.000 3.297 309 A HA 0.372 4.692 4.320 -0.000 0.000 0.304 309 A C -0.236 177.357 177.584 0.014 0.000 0.963 309 A CA -0.501 51.544 52.037 0.012 0.000 0.935 309 A CB -0.527 18.478 19.000 0.009 0.000 1.093 309 A HN 0.448 nan 8.150 nan 0.000 0.480 310 L N 0.292 121.527 121.223 0.020 0.000 2.395 310 L HA 0.366 4.706 4.340 -0.000 0.000 0.269 310 L C -0.353 176.540 176.870 0.039 0.000 1.133 310 L CA -0.590 54.265 54.840 0.024 0.000 0.812 310 L CB 0.998 43.075 42.059 0.030 0.000 1.125 310 L HN 0.309 nan 8.230 nan 0.000 0.452 311 D N 1.903 122.322 120.400 0.031 0.000 2.349 311 D HA 0.176 4.816 4.640 -0.000 0.000 0.232 311 D C -0.637 175.698 176.300 0.058 0.000 1.071 311 D CA -0.413 53.615 54.000 0.047 0.000 0.832 311 D CB 1.176 41.986 40.800 0.017 0.000 1.086 311 D HN 0.132 nan 8.370 nan 0.000 0.504 312 F N 2.719 122.657 119.950 -0.020 0.000 2.578 312 F HA 0.016 4.543 4.527 -0.000 0.000 0.381 312 F C 1.319 177.107 175.800 -0.020 0.000 1.069 312 F CA 0.338 58.325 58.000 -0.022 0.000 1.231 312 F CB 0.627 39.612 39.000 -0.025 0.000 1.086 312 F HN 0.215 nan 8.300 nan 0.000 0.564 313 S N 2.893 118.104 115.700 -0.814 0.000 2.603 313 S HA 0.381 4.851 4.470 -0.000 0.000 0.232 313 S C 0.839 175.020 174.600 -0.698 0.000 1.016 313 S CA -0.036 57.836 58.200 -0.547 0.000 0.976 313 S CB -0.190 62.828 63.200 -0.303 0.000 0.921 313 S HN 0.788 nan 8.310 nan 0.000 0.516 314 G N 1.122 109.052 108.800 -1.450 0.000 2.531 314 G HA2 0.422 4.382 3.960 -0.000 0.000 0.253 314 G HA3 0.422 4.382 3.960 -0.000 0.000 0.253 314 G C -1.119 173.699 174.900 -0.136 0.000 1.439 314 G CA -0.589 44.083 45.100 -0.714 0.000 1.056 314 G HN 0.356 nan 8.290 nan 0.000 0.555 315 D N -1.286 119.200 120.400 0.145 0.000 2.313 315 D HA 0.302 4.942 4.640 -0.000 0.000 0.239 315 D C 1.301 177.768 176.300 0.279 0.000 1.142 315 D CA -0.348 53.761 54.000 0.181 0.000 0.847 315 D CB 1.064 41.916 40.800 0.087 0.000 1.082 315 D HN 0.255 nan 8.370 nan 0.000 0.480 316 K N 2.408 122.944 120.400 0.227 0.000 2.062 316 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 316 K C 1.607 178.217 176.600 0.018 0.000 1.051 316 K CA 0.846 57.184 56.287 0.086 0.000 0.941 316 K CB 0.148 32.678 32.500 0.050 0.000 0.719 316 K HN 0.355 nan 8.250 nan 0.000 0.440 317 K N 1.118 121.538 120.400 0.033 0.000 2.074 317 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 317 K C 2.191 178.802 176.600 0.018 0.000 1.048 317 K CA 1.635 57.934 56.287 0.020 0.000 0.926 317 K CB -0.026 32.487 32.500 0.021 0.000 0.713 317 K HN 0.236 nan 8.250 nan 0.000 0.444 318 E N 0.575 120.792 120.200 0.028 0.000 2.107 318 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 318 E C 1.863 178.459 176.600 -0.005 0.000 0.982 318 E CA 0.861 57.270 56.400 0.014 0.000 0.809 318 E CB 0.259 29.978 29.700 0.032 0.000 0.756 318 E HN 0.041 nan 8.360 nan 0.000 0.459 319 V N 1.232 121.146 119.914 0.000 0.000 2.453 319 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 319 V C 2.339 178.387 176.094 -0.077 0.000 1.048 319 V CA 1.319 63.580 62.300 -0.064 0.000 1.049 319 V CB -0.342 31.382 31.823 -0.164 0.000 0.672 319 V HN 0.317 nan 8.190 nan 0.000 0.457 320 I N 0.350 120.897 120.570 -0.038 0.000 2.163 320 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 320 I C 2.636 178.816 176.117 0.105 0.000 1.085 320 I CA 1.909 63.245 61.300 0.061 0.000 1.347 320 I CB -0.320 37.717 38.000 0.062 0.000 1.044 320 I HN 0.352 nan 8.210 nan 0.000 0.408 321 E N 1.560 121.772 120.200 0.020 0.000 2.110 321 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 321 E C 2.001 178.489 176.600 -0.187 0.000 0.988 321 E CA 1.598 57.957 56.400 -0.069 0.000 0.804 321 E CB -0.070 29.590 29.700 -0.067 0.000 0.745 321 E HN 0.322 nan 8.360 nan 0.000 0.458 322 K N -0.110 120.197 120.400 -0.156 0.000 2.057 322 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 322 K C 2.252 178.706 176.600 -0.242 0.000 1.050 322 K CA 1.470 57.634 56.287 -0.205 0.000 0.935 322 K CB -0.211 32.194 32.500 -0.158 0.000 0.715 322 K HN 0.219 nan 8.250 nan 0.000 0.439 323 I N 0.754 121.211 120.570 -0.188 0.000 2.226 323 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 323 I C 2.697 178.642 176.117 -0.287 0.000 1.100 323 I CA 1.051 62.242 61.300 -0.182 0.000 1.374 323 I CB -0.240 37.763 38.000 0.005 0.000 1.057 323 I HN 0.169 nan 8.210 nan 0.000 0.413 324 R N 1.469 121.659 120.500 -0.517 0.000 2.082 324 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 324 R C 2.347 178.331 176.300 -0.527 0.000 1.136 324 R CA 1.832 57.328 56.100 -1.007 0.000 0.935 324 R CB -0.109 29.524 30.300 -1.110 0.000 0.842 324 R HN 0.268 nan 8.270 nan 0.000 0.430 325 K N -0.239 119.867 120.400 -0.491 0.000 2.044 325 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 325 K C 2.130 178.700 176.600 -0.050 0.000 1.049 325 K CA 1.600 57.570 56.287 -0.529 0.000 0.927 325 K CB -0.262 31.717 32.500 -0.869 0.000 0.713 325 K HN 0.256 nan 8.250 nan 0.000 0.443 326 A N 1.471 124.232 122.820 -0.098 0.000 1.908 326 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 326 A C 2.114 179.950 177.584 0.419 0.000 1.181 326 A CA 1.372 53.445 52.037 0.061 0.000 0.627 326 A CB -0.541 18.333 19.000 -0.210 0.000 0.818 326 A HN 0.264 nan 8.150 nan 0.000 0.445 327 L N -1.975 119.449 121.223 0.335 0.000 2.056 327 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 327 L C 2.274 179.331 176.870 0.313 0.000 1.078 327 L CA 2.192 57.254 54.840 0.370 0.000 0.749 327 L CB -0.881 41.296 42.059 0.197 0.000 0.901 327 L HN 0.488 nan 8.230 nan 0.000 0.433 328 Y N -0.888 119.499 120.300 0.146 0.000 2.200 328 Y HA -0.270 4.279 4.550 -0.000 0.000 0.290 328 Y C 2.377 178.399 175.900 0.203 0.000 1.137 328 Y CA 1.715 59.926 58.100 0.184 0.000 1.163 328 Y CB -0.662 37.926 38.460 0.212 0.000 0.988 328 Y HN 0.314 nan 8.280 nan 0.000 0.518 329 F N 0.065 120.110 119.950 0.159 0.000 2.126 329 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 329 F C 2.362 178.152 175.800 -0.017 0.000 1.096 329 F CA 2.193 60.206 58.000 0.021 0.000 1.255 329 F CB -0.619 38.437 39.000 0.093 0.000 0.997 329 F HN -0.039 nan 8.300 nan 0.000 0.479 330 S N -0.073 115.844 115.700 0.362 0.000 2.395 330 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 330 S C 1.966 176.601 174.600 0.058 0.000 1.027 330 S CA 0.852 59.186 58.200 0.224 0.000 0.965 330 S CB -0.316 63.006 63.200 0.204 0.000 0.812 330 S HN 0.348 nan 8.310 nan 0.000 0.482 331 K N 1.278 121.730 120.400 0.087 0.000 2.044 331 K HA -0.119 4.201 4.320 -0.000 0.000 0.210 331 K C 1.905 178.579 176.600 0.124 0.000 1.049 331 K CA 1.448 57.834 56.287 0.165 0.000 0.927 331 K CB -0.334 32.315 32.500 0.249 0.000 0.713 331 K HN 0.302 nan 8.250 nan 0.000 0.443 332 I N 0.799 121.232 120.570 -0.228 0.000 2.286 332 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 332 I C 2.355 178.330 176.117 -0.236 0.000 1.115 332 I CA 0.930 61.958 61.300 -0.454 0.000 1.392 332 I CB -0.174 37.406 38.000 -0.700 0.000 1.065 332 I HN 0.265 nan 8.210 nan 0.000 0.418 333 M N -0.404 119.068 119.600 -0.213 0.000 2.159 333 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 333 M C 2.567 178.761 176.300 -0.178 0.000 1.063 333 M CA 1.421 56.608 55.300 -0.188 0.000 1.110 333 M CB -1.371 31.152 32.600 -0.127 0.000 1.374 333 M HN 0.208 nan 8.290 nan 0.000 0.411 334 S N -0.248 115.417 115.700 -0.059 0.000 2.356 334 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 334 S C 1.923 176.512 174.600 -0.018 0.000 1.032 334 S CA 1.232 59.394 58.200 -0.064 0.000 1.005 334 S CB -0.225 62.966 63.200 -0.014 0.000 0.867 334 S HN 0.402 nan 8.310 nan 0.000 0.449 335 Y N 1.607 121.914 120.300 0.011 0.000 2.200 335 Y HA 0.061 4.611 4.550 -0.000 0.000 0.290 335 Y C 2.732 178.737 175.900 0.177 0.000 1.137 335 Y CA 0.817 59.025 58.100 0.181 0.000 1.163 335 Y CB -0.935 37.707 38.460 0.304 0.000 0.988 335 Y HN 0.359 nan 8.280 nan 0.000 0.518 336 A N -0.225 122.656 122.820 0.102 0.000 1.933 336 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 336 A C 2.108 179.706 177.584 0.024 0.000 1.175 336 A CA 1.859 53.890 52.037 -0.009 0.000 0.628 336 A CB -0.682 18.232 19.000 -0.144 0.000 0.814 336 A HN 0.533 nan 8.150 nan 0.000 0.444 337 Q N -0.872 118.875 119.800 -0.088 0.000 2.020 337 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 337 Q C 2.291 178.284 176.000 -0.011 0.000 0.982 337 Q CA 1.299 57.030 55.803 -0.121 0.000 0.838 337 Q CB -0.511 28.049 28.738 -0.297 0.000 0.899 337 Q HN 0.678 nan 8.270 nan 0.000 0.423 338 G N -0.016 108.778 108.800 -0.009 0.000 2.476 338 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 338 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 338 G C 1.044 175.949 174.900 0.009 0.000 1.164 338 G CA 0.777 45.859 45.100 -0.030 0.000 0.768 338 G HN 0.241 nan 8.290 nan 0.000 0.560 339 F N 1.502 121.514 119.950 0.104 0.000 2.259 339 F HA 0.185 4.712 4.527 -0.000 0.000 0.298 339 F C 2.971 178.787 175.800 0.027 0.000 1.088 339 F CA 0.729 58.797 58.000 0.114 0.000 1.358 339 F CB -0.078 39.036 39.000 0.190 0.000 1.040 339 F HN 0.234 nan 8.300 nan 0.000 0.505 340 A N -0.490 122.441 122.820 0.185 0.000 1.933 340 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 340 A C 2.138 179.776 177.584 0.091 0.000 1.175 340 A CA 1.847 53.945 52.037 0.102 0.000 0.628 340 A CB -0.814 18.239 19.000 0.089 0.000 0.814 340 A HN 0.467 nan 8.150 nan 0.000 0.444 341 Q N -0.410 119.451 119.800 0.101 0.000 2.083 341 Q HA -0.067 4.273 4.340 -0.000 0.000 0.198 341 Q C 1.947 178.051 176.000 0.173 0.000 0.969 341 Q CA 1.252 57.133 55.803 0.130 0.000 0.838 341 Q CB -0.241 28.575 28.738 0.129 0.000 0.900 341 Q HN 0.659 nan 8.270 nan 0.000 0.436 342 L N 0.295 121.622 121.223 0.173 0.000 2.079 342 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 342 L C 2.788 179.809 176.870 0.252 0.000 1.081 342 L CA 1.421 56.397 54.840 0.227 0.000 0.752 342 L CB -0.426 41.746 42.059 0.187 0.000 0.896 342 L HN 0.251 nan 8.230 nan 0.000 0.433 343 R N 0.291 120.859 120.500 0.114 0.000 2.073 343 R HA -0.215 4.125 4.340 -0.000 0.000 0.234 343 R C 2.372 178.722 176.300 0.082 0.000 1.134 343 R CA 1.593 57.730 56.100 0.061 0.000 0.952 343 R CB -0.007 30.229 30.300 -0.107 0.000 0.850 343 R HN 0.017 nan 8.270 nan 0.000 0.433 344 K N 0.323 120.751 120.400 0.046 0.000 2.057 344 K HA 0.004 4.323 4.320 -0.000 0.000 0.206 344 K C 1.728 178.278 176.600 -0.083 0.000 1.050 344 K CA 1.623 57.906 56.287 -0.006 0.000 0.935 344 K CB -0.370 32.139 32.500 0.016 0.000 0.715 344 K HN 0.246 nan 8.250 nan 0.000 0.439 345 A N -0.122 122.664 122.820 -0.057 0.000 1.883 345 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 345 A C 2.337 179.775 177.584 -0.242 0.000 1.186 345 A CA 2.339 54.251 52.037 -0.208 0.000 0.624 345 A CB -1.277 17.474 19.000 -0.414 0.000 0.822 345 A HN 0.421 nan 8.150 nan 0.000 0.444 346 S N -0.737 114.946 115.700 -0.028 0.000 2.374 346 S HA -0.260 4.210 4.470 -0.000 0.000 0.227 346 S C 2.064 176.598 174.600 -0.110 0.000 1.037 346 S CA 1.940 60.161 58.200 0.036 0.000 1.024 346 S CB -0.353 62.949 63.200 0.169 0.000 0.861 346 S HN 0.697 nan 8.310 nan 0.000 0.456 347 E N 0.013 120.147 120.200 -0.110 0.000 2.028 347 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 347 E C 2.071 178.502 176.600 -0.283 0.000 0.988 347 E CA 1.464 57.779 56.400 -0.142 0.000 0.799 347 E CB -0.303 29.341 29.700 -0.093 0.000 0.755 347 E HN 0.546 nan 8.360 nan 0.000 0.447 348 E N -0.482 119.452 120.200 -0.443 0.000 2.077 348 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 348 E C 1.144 177.212 176.600 -0.887 0.000 0.989 348 E CA 1.392 57.371 56.400 -0.703 0.000 0.800 348 E CB -0.103 29.007 29.700 -0.984 0.000 0.746 348 E HN 0.300 nan 8.360 nan 0.000 0.452 349 F N 0.588 120.140 119.950 -0.664 0.000 2.664 349 F HA 0.238 4.765 4.527 -0.000 0.000 0.303 349 F C -0.057 175.242 175.800 -0.834 0.000 1.092 349 F CA -0.010 57.411 58.000 -0.966 0.000 1.305 349 F CB 0.310 38.127 39.000 -1.971 0.000 1.054 349 F HN -0.157 nan 8.300 nan 0.000 0.565 350 D N -0.301 119.878 120.400 -0.369 0.000 2.746 350 D HA -0.221 4.419 4.640 -0.000 0.000 0.241 350 D C 0.247 176.544 176.300 -0.005 0.000 1.140 350 D CA 0.416 54.328 54.000 -0.147 0.000 0.707 350 D CB -0.984 39.767 40.800 -0.082 0.000 1.034 350 D HN 0.385 nan 8.370 nan 0.000 0.423 351 W N 0.246 121.517 121.300 -0.048 0.000 2.842 351 W HA 0.068 4.728 4.660 0.000 0.000 0.267 351 W C 1.217 177.639 176.519 -0.161 0.000 1.219 351 W CA 0.489 57.766 57.345 -0.112 0.000 1.458 351 W CB -0.116 29.250 29.460 -0.155 0.000 1.006 351 W HN 0.181 nan 8.180 nan 0.000 0.603 352 D N 0.872 121.313 120.400 0.068 0.000 2.705 352 D HA -0.189 4.451 4.640 -0.000 0.000 0.240 352 D C -0.264 175.905 176.300 -0.218 0.000 1.137 352 D CA 0.399 54.362 54.000 -0.062 0.000 0.677 352 D CB -1.265 39.515 40.800 -0.033 0.000 1.049 352 D HN 0.011 nan 8.370 nan 0.000 0.427 353 L N 0.512 121.545 121.223 -0.317 0.000 2.490 353 L HA 0.249 4.589 4.340 -0.000 0.000 0.274 353 L C -1.312 175.061 176.870 -0.828 0.000 1.201 353 L CA -1.167 53.367 54.840 -0.510 0.000 0.869 353 L CB 0.266 42.072 42.059 -0.422 0.000 1.123 353 L HN 0.128 nan 8.230 nan 0.000 0.484 354 P HA 0.095 nan 4.420 nan 0.000 0.256 354 P C -0.173 176.854 177.300 -0.455 0.000 1.689 354 P CA -0.315 62.496 63.100 -0.480 0.000 1.124 354 P CB 0.213 31.740 31.700 -0.289 0.000 1.766 355 Y N 2.115 122.214 120.300 -0.334 0.000 2.165 355 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 355 Y C 2.761 178.492 175.900 -0.281 0.000 1.155 355 Y CA 2.102 59.943 58.100 -0.433 0.000 1.164 355 Y CB -1.685 36.044 38.460 -1.218 0.000 0.978 355 Y HN 0.284 nan 8.280 nan 0.000 0.513 356 G N -1.050 107.678 108.800 -0.120 0.000 2.422 356 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 356 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 356 G C 1.677 176.589 174.900 0.020 0.000 1.146 356 G CA 1.550 46.703 45.100 0.087 0.000 0.769 356 G HN 0.378 nan 8.290 nan 0.000 0.547 357 T N 1.258 115.772 114.554 -0.066 0.000 2.857 357 T HA 0.017 4.367 4.350 -0.000 0.000 0.266 357 T C 2.380 176.981 174.700 -0.165 0.000 1.048 357 T CA 0.667 62.712 62.100 -0.092 0.000 1.139 357 T CB -0.092 68.705 68.868 -0.117 0.000 0.874 357 T HN 0.243 nan 8.240 nan 0.000 0.455 358 I N 1.617 122.035 120.570 -0.254 0.000 2.127 358 I HA -0.242 3.928 4.170 -0.000 0.000 0.241 358 I C 2.950 178.678 176.117 -0.649 0.000 1.075 358 I CA 1.328 62.305 61.300 -0.538 0.000 1.334 358 I CB -0.514 37.132 38.000 -0.590 0.000 1.040 358 I HN 0.198 nan 8.210 nan 0.000 0.405 359 A N -0.021 122.684 122.820 -0.192 0.000 1.908 359 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 359 A C 2.287 179.915 177.584 0.074 0.000 1.181 359 A CA 1.507 53.592 52.037 0.079 0.000 0.627 359 A CB -0.533 18.600 19.000 0.221 0.000 0.818 359 A HN 0.445 nan 8.150 nan 0.000 0.445 360 Q N -0.191 119.618 119.800 0.016 0.000 2.050 360 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 360 Q C 2.138 178.166 176.000 0.047 0.000 0.980 360 Q CA 1.797 57.623 55.803 0.039 0.000 0.840 360 Q CB -0.545 28.205 28.738 0.020 0.000 0.898 360 Q HN 0.973 nan 8.270 nan 0.000 0.424 361 I N -3.956 116.601 120.570 -0.021 0.000 3.444 361 I HA -0.045 4.125 4.170 -0.000 0.000 0.287 361 I C 0.860 177.102 176.117 0.208 0.000 1.302 361 I CA 0.429 61.751 61.300 0.037 0.000 1.368 361 I CB -0.312 37.676 38.000 -0.020 0.000 1.048 361 I HN 0.024 nan 8.210 nan 0.000 0.487 362 W N 1.921 123.282 121.300 0.102 0.000 3.316 362 W HA 0.278 4.937 4.660 -0.000 0.000 0.327 362 W C 2.012 178.581 176.519 0.084 0.000 1.232 362 W CA -0.467 56.947 57.345 0.115 0.000 1.805 362 W CB -0.572 28.993 29.460 0.175 0.000 1.090 362 W HN 0.176 nan 8.180 nan 0.000 0.654 363 R N 0.312 120.967 120.500 0.258 0.000 2.235 363 R HA 0.228 4.568 4.340 -0.000 0.000 0.213 363 R C 0.726 177.100 176.300 0.124 0.000 1.059 363 R CA 0.851 57.048 56.100 0.162 0.000 0.997 363 R CB 0.127 30.497 30.300 0.116 0.000 0.884 363 R HN -0.081 nan 8.270 nan 0.000 0.462 364 A N -1.713 121.181 122.820 0.123 0.000 2.610 364 A HA 0.534 4.854 4.320 -0.000 0.000 0.291 364 A C 0.182 177.801 177.584 0.058 0.000 1.086 364 A CA -0.215 51.871 52.037 0.081 0.000 0.677 364 A CB 1.061 20.102 19.000 0.067 0.000 1.278 364 A HN 0.137 nan 8.150 nan 0.000 0.414 365 G N -1.328 107.480 108.800 0.013 0.000 2.225 365 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.267 365 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.267 365 G C 0.314 175.172 174.900 -0.070 0.000 1.024 365 G CA 0.870 45.952 45.100 -0.030 0.000 0.784 365 G HN 2.076 nan 8.290 nan 0.000 0.507 366 C N 0.314 119.553 119.300 -0.102 0.000 2.481 366 C HA 0.631 5.091 4.460 -0.000 0.000 0.324 366 C C 1.760 176.586 174.990 -0.274 0.000 1.170 366 C CA -0.840 58.130 59.018 -0.080 0.000 1.361 366 C CB 0.249 28.032 27.740 0.072 0.000 1.977 366 C HN 0.300 nan 8.230 nan 0.000 0.459 367 I N 5.009 125.401 120.570 -0.297 0.000 2.361 367 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 367 I C 1.729 177.753 176.117 -0.156 0.000 1.133 367 I CA 1.887 62.951 61.300 -0.393 0.000 1.413 367 I CB -0.613 37.287 38.000 -0.167 0.000 1.073 367 I HN 0.803 nan 8.210 nan 0.000 0.424 368 I N -1.081 119.312 120.570 -0.295 0.000 3.874 368 I HA 0.224 4.394 4.170 -0.000 0.000 0.331 368 I C 1.045 177.152 176.117 -0.017 0.000 1.489 368 I CA -0.496 60.669 61.300 -0.225 0.000 1.187 368 I CB -0.318 37.327 38.000 -0.592 0.000 1.150 368 I HN -0.030 nan 8.210 nan 0.000 0.412 369 R N 2.715 123.235 120.500 0.032 0.000 2.480 369 R HA 0.436 4.776 4.340 -0.000 0.000 0.303 369 R C -0.582 175.752 176.300 0.056 0.000 0.985 369 R CA 0.603 56.757 56.100 0.090 0.000 1.051 369 R CB 0.374 30.738 30.300 0.107 0.000 0.935 369 R HN 0.582 nan 8.270 nan 0.000 0.410 370 A N 3.412 126.200 122.820 -0.055 0.000 2.515 370 A HA 0.200 4.520 4.320 -0.000 0.000 0.296 370 A C 0.353 177.807 177.584 -0.216 0.000 1.094 370 A CA -0.775 51.130 52.037 -0.220 0.000 0.718 370 A CB 1.621 20.212 19.000 -0.683 0.000 1.307 370 A HN 0.836 nan 8.150 nan 0.000 0.408 371 E N 0.441 120.577 120.200 -0.106 0.000 2.153 371 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 371 E C 1.050 177.673 176.600 0.038 0.000 0.988 371 E CA 1.915 58.327 56.400 0.021 0.000 0.811 371 E CB -0.180 29.594 29.700 0.124 0.000 0.746 371 E HN 0.726 nan 8.360 nan 0.000 0.466 372 F N -0.824 119.203 119.950 0.128 0.000 2.804 372 F HA 0.218 4.745 4.527 0.000 0.000 0.303 372 F C 1.687 177.531 175.800 0.073 0.000 1.154 372 F CA -0.115 57.943 58.000 0.096 0.000 1.401 372 F CB -0.729 38.412 39.000 0.235 0.000 1.106 372 F HN -0.145 nan 8.300 nan 0.000 0.568 373 L N 0.126 121.332 121.223 -0.028 0.000 2.079 373 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 373 L C 2.746 179.691 176.870 0.125 0.000 1.081 373 L CA 1.455 56.360 54.840 0.108 0.000 0.752 373 L CB -0.626 41.505 42.059 0.120 0.000 0.896 373 L HN 0.285 nan 8.230 nan 0.000 0.433 374 Q N 0.454 120.291 119.800 0.061 0.000 2.119 374 Q HA -0.159 4.180 4.340 -0.000 0.000 0.201 374 Q C 1.888 177.874 176.000 -0.025 0.000 0.972 374 Q CA 1.535 57.351 55.803 0.022 0.000 0.847 374 Q CB -0.116 28.617 28.738 -0.008 0.000 0.903 374 Q HN 0.434 nan 8.270 nan 0.000 0.433 375 N N -0.069 118.573 118.700 -0.096 0.000 2.223 375 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 375 N C 1.737 177.266 175.510 0.032 0.000 1.016 375 N CA 1.358 54.248 53.050 -0.268 0.000 0.863 375 N CB -0.092 37.868 38.487 -0.877 0.000 0.983 375 N HN 0.373 nan 8.380 nan 0.000 0.429 376 I N 1.084 121.774 120.570 0.199 0.000 2.163 376 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 376 I C 2.070 178.237 176.117 0.082 0.000 1.081 376 I CA 1.115 62.477 61.300 0.104 0.000 1.353 376 I CB -0.633 37.416 38.000 0.081 0.000 1.054 376 I HN 0.075 nan 8.210 nan 0.000 0.407 377 T N 0.227 114.859 114.554 0.130 0.000 2.720 377 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 377 T C 1.519 176.280 174.700 0.103 0.000 1.037 377 T CA 1.594 63.784 62.100 0.151 0.000 1.144 377 T CB -0.349 68.579 68.868 0.100 0.000 0.864 377 T HN 0.317 nan 8.240 nan 0.000 0.444 378 D N 1.283 121.700 120.400 0.028 0.000 2.123 378 D HA -0.050 4.590 4.640 -0.000 0.000 0.196 378 D C 2.384 178.678 176.300 -0.011 0.000 0.992 378 D CA 1.295 55.292 54.000 -0.005 0.000 0.833 378 D CB -0.412 40.348 40.800 -0.066 0.000 0.954 378 D HN 0.421 nan 8.370 nan 0.000 0.455 379 A N 0.183 122.969 122.820 -0.058 0.000 1.933 379 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 379 A C 1.920 179.389 177.584 -0.191 0.000 1.175 379 A CA 1.021 52.967 52.037 -0.151 0.000 0.628 379 A CB -0.758 18.098 19.000 -0.239 0.000 0.814 379 A HN 0.133 nan 8.150 nan 0.000 0.444 380 F N 0.305 120.266 119.950 0.019 0.000 2.416 380 F HA 0.009 4.536 4.527 -0.000 0.000 0.296 380 F C 1.816 177.643 175.800 0.046 0.000 1.099 380 F CA 0.784 58.809 58.000 0.040 0.000 1.427 380 F CB -0.218 38.822 39.000 0.067 0.000 1.079 380 F HN 0.176 nan 8.300 nan 0.000 0.536 381 D N 0.203 120.716 120.400 0.189 0.000 2.097 381 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 381 D C 2.299 178.652 176.300 0.087 0.000 0.989 381 D CA 0.967 55.037 54.000 0.116 0.000 0.827 381 D CB -0.214 40.631 40.800 0.074 0.000 0.966 381 D HN 0.047 nan 8.370 nan 0.000 0.456 382 K N 0.076 120.513 120.400 0.061 0.000 1.991 382 K HA -0.114 4.206 4.320 -0.000 0.000 0.212 382 K C 0.176 176.809 176.600 0.056 0.000 1.049 382 K CA 0.981 57.292 56.287 0.040 0.000 0.932 382 K CB -0.037 32.471 32.500 0.013 0.000 0.717 382 K HN 0.098 nan 8.250 nan 0.000 0.441 383 D N -0.759 119.683 120.400 0.070 0.000 2.542 383 D HA 0.087 4.727 4.640 -0.000 0.000 0.252 383 D C 0.180 176.600 176.300 0.201 0.000 1.222 383 D CA -0.031 54.027 54.000 0.098 0.000 0.895 383 D CB 1.857 42.692 40.800 0.059 0.000 1.207 383 D HN -0.054 nan 8.370 nan 0.000 0.558 384 S N 2.928 118.747 115.700 0.199 0.000 2.406 384 S HA -0.076 4.394 4.470 -0.000 0.000 0.228 384 S C 0.852 175.629 174.600 0.296 0.000 1.020 384 S CA 0.999 59.353 58.200 0.257 0.000 0.965 384 S CB 0.079 63.373 63.200 0.156 0.000 0.798 384 S HN 0.531 nan 8.310 nan 0.000 0.488 385 E N 0.916 121.242 120.200 0.210 0.000 2.394 385 E HA 0.180 4.530 4.350 -0.000 0.000 0.191 385 E C -0.531 176.164 176.600 0.158 0.000 1.044 385 E CA -0.395 56.111 56.400 0.177 0.000 0.939 385 E CB 0.238 30.008 29.700 0.116 0.000 1.089 385 E HN 0.337 nan 8.360 nan 0.000 0.456 386 L N 1.667 123.012 121.223 0.204 0.000 2.628 386 L HA -0.075 4.265 4.340 -0.000 0.000 0.274 386 L C 0.884 177.817 176.870 0.106 0.000 1.209 386 L CA 0.778 55.678 54.840 0.100 0.000 0.930 386 L CB 0.553 42.573 42.059 -0.065 0.000 1.183 386 L HN 0.028 nan 8.230 nan 0.000 0.492 387 E N 2.903 123.143 120.200 0.066 0.000 2.152 387 E HA -0.017 4.332 4.350 -0.000 0.000 0.192 387 E C 0.168 176.807 176.600 0.066 0.000 0.983 387 E CA 0.760 57.203 56.400 0.073 0.000 0.818 387 E CB 0.120 29.874 29.700 0.089 0.000 0.758 387 E HN 0.665 nan 8.360 nan 0.000 0.467 388 N N -0.803 117.914 118.700 0.030 0.000 2.516 388 N HA 0.057 4.796 4.740 -0.000 0.000 0.268 388 N C 0.056 175.489 175.510 -0.128 0.000 1.096 388 N CA -0.199 52.832 53.050 -0.032 0.000 0.954 388 N CB 1.239 39.706 38.487 -0.032 0.000 1.676 388 N HN -0.079 nan 8.380 nan 0.000 0.490 389 L N 2.265 123.339 121.223 -0.248 0.000 2.187 389 L HA -0.098 4.242 4.340 -0.000 0.000 0.213 389 L C 2.035 178.753 176.870 -0.253 0.000 1.100 389 L CA 1.114 55.704 54.840 -0.416 0.000 0.765 389 L CB -0.120 41.489 42.059 -0.749 0.000 0.904 389 L HN 0.556 nan 8.230 nan 0.000 0.437 390 L N -0.509 120.614 121.223 -0.166 0.000 2.362 390 L HA -0.177 4.163 4.340 -0.000 0.000 0.219 390 L C 2.127 179.057 176.870 0.100 0.000 1.134 390 L CA 0.781 55.617 54.840 -0.006 0.000 0.807 390 L CB -0.345 41.720 42.059 0.011 0.000 0.927 390 L HN 0.361 nan 8.230 nan 0.000 0.447 391 L N -0.933 120.338 121.223 0.080 0.000 2.509 391 L HA 0.021 4.361 4.340 -0.000 0.000 0.222 391 L C 0.590 177.494 176.870 0.056 0.000 1.123 391 L CA -0.029 54.859 54.840 0.081 0.000 0.856 391 L CB -0.238 41.865 42.059 0.073 0.000 0.985 391 L HN 0.163 nan 8.230 nan 0.000 0.456 392 D N -0.283 120.158 120.400 0.069 0.000 2.304 392 D HA -0.018 4.622 4.640 -0.000 0.000 0.250 392 D C 0.866 177.230 176.300 0.107 0.000 1.107 392 D CA -0.275 53.777 54.000 0.087 0.000 0.885 392 D CB 1.038 41.917 40.800 0.131 0.000 1.192 392 D HN -0.050 nan 8.370 nan 0.000 0.436 393 D N 2.094 122.528 120.400 0.057 0.000 2.133 393 D HA -0.277 4.363 4.640 -0.000 0.000 0.192 393 D C 1.435 177.730 176.300 -0.009 0.000 1.001 393 D CA 1.252 55.267 54.000 0.026 0.000 0.844 393 D CB -0.432 40.378 40.800 0.017 0.000 0.944 393 D HN 0.589 nan 8.370 nan 0.000 0.447 394 Y N 0.308 120.508 120.300 -0.166 0.000 2.128 394 Y HA -0.271 4.279 4.550 0.000 0.000 0.284 394 Y C 2.087 177.722 175.900 -0.441 0.000 1.154 394 Y CA 1.659 59.546 58.100 -0.355 0.000 1.149 394 Y CB -0.524 37.602 38.460 -0.556 0.000 0.976 394 Y HN -0.102 nan 8.280 nan 0.000 0.505 395 F N -1.667 118.220 119.950 -0.105 0.000 2.416 395 F HA -0.075 4.452 4.527 -0.000 0.000 0.296 395 F C 2.305 177.982 175.800 -0.204 0.000 1.099 395 F CA 0.860 58.715 58.000 -0.240 0.000 1.427 395 F CB -0.930 37.961 39.000 -0.183 0.000 1.079 395 F HN -0.158 nan 8.300 nan 0.000 0.536 396 V N 0.589 120.526 119.914 0.040 0.000 2.282 396 V HA -0.358 3.761 4.120 -0.000 0.000 0.249 396 V C 2.174 178.243 176.094 -0.041 0.000 1.057 396 V CA 2.449 64.768 62.300 0.032 0.000 1.032 396 V CB -0.592 31.253 31.823 0.036 0.000 0.645 396 V HN 0.329 nan 8.190 nan 0.000 0.447 397 D N -0.209 120.107 120.400 -0.139 0.000 2.097 397 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 397 D C 1.954 178.101 176.300 -0.254 0.000 0.984 397 D CA 1.531 55.420 54.000 -0.184 0.000 0.826 397 D CB -0.193 40.464 40.800 -0.238 0.000 0.973 397 D HN 0.430 nan 8.370 nan 0.000 0.460 398 I N 0.426 120.758 120.570 -0.396 0.000 2.179 398 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 398 I C 2.540 178.489 176.117 -0.280 0.000 1.088 398 I CA 1.754 62.764 61.300 -0.483 0.000 1.357 398 I CB -0.629 37.051 38.000 -0.534 0.000 1.051 398 I HN 0.247 nan 8.210 nan 0.000 0.409 399 T N -1.210 113.247 114.554 -0.162 0.000 2.867 399 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 399 T C 1.860 176.594 174.700 0.056 0.000 1.057 399 T CA 1.380 63.458 62.100 -0.038 0.000 1.136 399 T CB -0.346 68.437 68.868 -0.142 0.000 0.874 399 T HN 0.280 nan 8.240 nan 0.000 0.466 400 K N 0.959 121.380 120.400 0.035 0.000 2.063 400 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 400 K C 2.615 179.247 176.600 0.053 0.000 1.048 400 K CA 1.151 57.476 56.287 0.063 0.000 0.928 400 K CB -0.047 32.471 32.500 0.030 0.000 0.713 400 K HN 0.339 nan 8.250 nan 0.000 0.442 401 R N -1.481 119.032 120.500 0.022 0.000 2.173 401 R HA 0.001 4.341 4.340 -0.000 0.000 0.208 401 R C 1.473 177.946 176.300 0.288 0.000 1.035 401 R CA 0.625 56.781 56.100 0.092 0.000 1.004 401 R CB 0.140 30.455 30.300 0.025 0.000 0.917 401 R HN 0.224 nan 8.270 nan 0.000 0.462 402 Y N 1.118 121.428 120.300 0.018 0.000 2.478 402 Y HA 0.061 4.611 4.550 -0.000 0.000 0.261 402 Y C 2.327 178.131 175.900 -0.161 0.000 1.127 402 Y CA -0.200 57.895 58.100 -0.008 0.000 1.288 402 Y CB -0.313 38.217 38.460 0.118 0.000 1.084 402 Y HN 0.129 nan 8.280 nan 0.000 0.530 403 Q N 0.778 120.566 119.800 -0.021 0.000 2.124 403 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 403 Q C 1.075 176.930 176.000 -0.242 0.000 0.977 403 Q CA 1.715 57.330 55.803 -0.313 0.000 0.850 403 Q CB 0.072 28.733 28.738 -0.127 0.000 0.901 403 Q HN 0.268 nan 8.270 nan 0.000 0.429 404 E N 0.559 120.696 120.200 -0.104 0.000 2.150 404 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 404 E C 1.887 178.413 176.600 -0.124 0.000 0.985 404 E CA 1.037 57.385 56.400 -0.086 0.000 0.814 404 E CB -0.167 29.511 29.700 -0.037 0.000 0.752 404 E HN 0.528 nan 8.360 nan 0.000 0.466 405 A N 0.909 123.638 122.820 -0.151 0.000 1.968 405 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 405 A C 2.552 179.993 177.584 -0.237 0.000 1.169 405 A CA 0.960 52.887 52.037 -0.184 0.000 0.638 405 A CB -0.455 18.414 19.000 -0.219 0.000 0.812 405 A HN 0.122 nan 8.150 nan 0.000 0.446 406 V N 0.164 119.886 119.914 -0.320 0.000 2.407 406 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 406 V C 2.614 178.554 176.094 -0.258 0.000 1.055 406 V CA 2.277 64.354 62.300 -0.371 0.000 1.049 406 V CB -0.836 30.580 31.823 -0.678 0.000 0.662 406 V HN 0.540 nan 8.190 nan 0.000 0.455 407 R N -0.109 120.267 120.500 -0.206 0.000 2.092 407 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 407 R C 2.066 178.305 176.300 -0.101 0.000 1.119 407 R CA 1.554 57.582 56.100 -0.120 0.000 0.970 407 R CB -0.395 29.856 30.300 -0.081 0.000 0.864 407 R HN 0.488 nan 8.270 nan 0.000 0.440 408 D N 0.202 120.536 120.400 -0.110 0.000 2.117 408 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 408 D C 1.980 178.215 176.300 -0.108 0.000 0.982 408 D CA 0.943 54.891 54.000 -0.088 0.000 0.828 408 D CB -0.187 40.567 40.800 -0.078 0.000 0.967 408 D HN -0.032 nan 8.370 nan 0.000 0.464 409 V N 0.624 120.434 119.914 -0.173 0.000 2.295 409 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 409 V C 2.655 178.626 176.094 -0.204 0.000 1.049 409 V CA 1.068 63.227 62.300 -0.235 0.000 1.024 409 V CB -0.495 31.088 31.823 -0.400 0.000 0.648 409 V HN 0.060 nan 8.190 nan 0.000 0.447 410 V N -0.440 119.368 119.914 -0.176 0.000 2.332 410 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 410 V C 2.675 178.740 176.094 -0.048 0.000 1.055 410 V CA 2.478 64.725 62.300 -0.088 0.000 1.038 410 V CB -0.660 31.139 31.823 -0.040 0.000 0.651 410 V HN 0.607 nan 8.190 nan 0.000 0.450 411 S N -0.587 115.084 115.700 -0.048 0.000 2.355 411 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 411 S C 1.917 176.508 174.600 -0.015 0.000 1.031 411 S CA 1.844 60.030 58.200 -0.023 0.000 0.993 411 S CB -0.303 62.883 63.200 -0.022 0.000 0.859 411 S HN 0.428 nan 8.310 nan 0.000 0.453 412 L N 1.803 123.011 121.223 -0.024 0.000 2.017 412 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 412 L C 2.508 179.373 176.870 -0.007 0.000 1.073 412 L CA 2.156 56.996 54.840 -0.000 0.000 0.745 412 L CB -1.111 40.945 42.059 -0.005 0.000 0.894 412 L HN 0.321 nan 8.230 nan 0.000 0.432 413 A N -1.131 121.667 122.820 -0.037 0.000 1.883 413 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 413 A C 2.256 179.843 177.584 0.005 0.000 1.186 413 A CA 2.265 54.289 52.037 -0.022 0.000 0.624 413 A CB -1.186 17.795 19.000 -0.031 0.000 0.822 413 A HN 0.322 nan 8.150 nan 0.000 0.444 414 V N -0.124 119.795 119.914 0.007 0.000 2.358 414 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 414 V C 2.657 178.760 176.094 0.016 0.000 1.047 414 V CA 1.873 64.183 62.300 0.017 0.000 1.035 414 V CB -0.710 31.124 31.823 0.019 0.000 0.658 414 V HN 0.528 nan 8.190 nan 0.000 0.452 415 Q N -0.104 119.704 119.800 0.013 0.000 2.226 415 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 415 Q C 2.236 178.248 176.000 0.020 0.000 0.975 415 Q CA 1.725 57.538 55.803 0.016 0.000 0.866 415 Q CB -0.440 28.307 28.738 0.016 0.000 0.915 415 Q HN 0.665 nan 8.270 nan 0.000 0.440 416 A N -0.746 122.088 122.820 0.023 0.000 2.132 416 A HA 0.340 4.660 4.320 -0.000 0.000 0.213 416 A C 1.448 179.044 177.584 0.019 0.000 1.154 416 A CA 0.995 53.047 52.037 0.026 0.000 0.753 416 A CB 0.046 19.064 19.000 0.031 0.000 0.826 416 A HN 0.388 nan 8.150 nan 0.000 0.469 417 G N -1.125 107.686 108.800 0.019 0.000 2.132 417 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.228 417 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.228 417 G C 0.200 175.113 174.900 0.022 0.000 1.000 417 G CA 0.317 45.429 45.100 0.019 0.000 0.693 417 G HN 0.589 nan 8.290 nan 0.000 0.515 418 T N 3.195 117.762 114.554 0.023 0.000 2.771 418 T HA 0.545 4.894 4.350 -0.000 0.000 0.291 418 T C -1.977 172.753 174.700 0.049 0.000 0.954 418 T CA -0.791 61.326 62.100 0.029 0.000 1.045 418 T CB 2.144 71.023 68.868 0.018 0.000 0.917 418 T HN 0.202 nan 8.240 nan 0.000 0.484 419 P HA 0.280 nan 4.420 nan 0.000 0.271 419 P C -0.325 177.040 177.300 0.107 0.000 1.226 419 P CA -0.319 62.824 63.100 0.071 0.000 0.765 419 P CB 0.180 31.917 31.700 0.062 0.000 0.835 420 I N 0.992 121.639 120.570 0.128 0.000 2.948 420 I HA 0.323 4.493 4.170 -0.000 0.000 0.308 420 I C -1.985 174.238 176.117 0.175 0.000 1.478 420 I CA -2.406 59.016 61.300 0.204 0.000 0.843 420 I CB 1.604 39.772 38.000 0.281 0.000 2.100 420 I HN 0.023 nan 8.210 nan 0.000 0.625 421 P HA -0.189 nan 4.420 nan 0.000 0.216 421 P C 1.511 178.869 177.300 0.096 0.000 1.150 421 P CA 2.231 65.392 63.100 0.102 0.000 0.837 421 P CB 0.043 31.794 31.700 0.085 0.000 0.786 422 T N -4.194 110.394 114.554 0.055 0.000 2.937 422 T HA -0.034 4.316 4.350 -0.000 0.000 0.260 422 T C 1.780 176.498 174.700 0.030 0.000 1.051 422 T CA 0.466 62.565 62.100 -0.002 0.000 1.141 422 T CB -1.231 67.582 68.868 -0.093 0.000 0.879 422 T HN -0.163 nan 8.240 nan 0.000 0.459 423 F N 3.173 123.177 119.950 0.089 0.000 2.095 423 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 423 F C 3.066 178.921 175.800 0.092 0.000 1.104 423 F CA 1.688 59.742 58.000 0.091 0.000 1.232 423 F CB -1.243 37.796 39.000 0.065 0.000 0.987 423 F HN 0.356 nan 8.300 nan 0.000 0.475 424 T N -3.956 110.762 114.554 0.273 0.000 2.915 424 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 424 T C 2.179 176.987 174.700 0.180 0.000 1.071 424 T CA 1.276 63.488 62.100 0.187 0.000 1.132 424 T CB -0.742 68.209 68.868 0.138 0.000 0.878 424 T HN 0.205 nan 8.240 nan 0.000 0.479 425 S N 1.112 116.914 115.700 0.169 0.000 2.387 425 S HA 0.125 4.595 4.470 -0.000 0.000 0.226 425 S C 2.423 177.151 174.600 0.213 0.000 1.026 425 S CA 0.982 59.278 58.200 0.160 0.000 0.972 425 S CB -0.826 62.437 63.200 0.105 0.000 0.814 425 S HN 0.712 nan 8.310 nan 0.000 0.477 426 A N 1.248 124.207 122.820 0.230 0.000 1.858 426 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 426 A C 2.090 179.956 177.584 0.470 0.000 1.190 426 A CA 1.673 53.901 52.037 0.317 0.000 0.617 426 A CB -0.884 18.327 19.000 0.351 0.000 0.827 426 A HN 0.570 nan 8.150 nan 0.000 0.443 427 I N -0.075 120.732 120.570 0.394 0.000 2.493 427 I HA -0.111 4.059 4.170 -0.000 0.000 0.254 427 I C 2.341 178.665 176.117 0.345 0.000 1.160 427 I CA 1.577 63.099 61.300 0.369 0.000 1.445 427 I CB -0.226 37.870 38.000 0.160 0.000 1.086 427 I HN 0.214 nan 8.210 nan 0.000 0.433 428 S N -0.461 115.406 115.700 0.279 0.000 2.383 428 S HA -0.213 4.257 4.470 -0.000 0.000 0.227 428 S C 1.911 176.666 174.600 0.258 0.000 1.026 428 S CA 1.427 59.763 58.200 0.226 0.000 0.981 428 S CB -0.586 62.727 63.200 0.187 0.000 0.818 428 S HN 0.631 nan 8.310 nan 0.000 0.472 429 Y N 1.004 121.417 120.300 0.188 0.000 2.163 429 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 429 Y C 2.239 178.271 175.900 0.220 0.000 1.136 429 Y CA 1.528 59.729 58.100 0.168 0.000 1.147 429 Y CB -0.755 37.782 38.460 0.129 0.000 0.987 429 Y HN 0.288 nan 8.280 nan 0.000 0.509 430 Y N 1.328 121.769 120.300 0.235 0.000 2.097 430 Y HA -0.271 4.278 4.550 -0.000 0.000 0.282 430 Y C 2.134 178.105 175.900 0.119 0.000 1.152 430 Y CA 2.351 60.557 58.100 0.177 0.000 1.136 430 Y CB -0.679 38.018 38.460 0.396 0.000 0.975 430 Y HN 0.180 nan 8.280 nan 0.000 0.498 431 D N -0.882 119.595 120.400 0.129 0.000 2.178 431 D HA -0.129 4.511 4.640 -0.000 0.000 0.202 431 D C 2.312 178.576 176.300 -0.060 0.000 0.974 431 D CA 1.424 55.421 54.000 -0.005 0.000 0.841 431 D CB -0.156 40.705 40.800 0.101 0.000 0.953 431 D HN 0.336 nan 8.370 nan 0.000 0.478 432 S N -0.255 115.430 115.700 -0.025 0.000 2.371 432 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 432 S C 1.804 176.341 174.600 -0.105 0.000 1.029 432 S CA 0.330 58.503 58.200 -0.045 0.000 0.978 432 S CB -0.260 62.941 63.200 0.002 0.000 0.833 432 S HN 0.298 nan 8.310 nan 0.000 0.466 433 Y N 3.258 123.363 120.300 -0.325 0.000 2.224 433 Y HA -0.133 4.417 4.550 -0.000 0.000 0.289 433 Y C 2.341 178.075 175.900 -0.276 0.000 1.146 433 Y CA 1.673 59.558 58.100 -0.358 0.000 1.182 433 Y CB -0.160 37.981 38.460 -0.532 0.000 0.983 433 Y HN 0.211 nan 8.280 nan 0.000 0.524 434 R N -0.683 119.626 120.500 -0.318 0.000 2.299 434 R HA 0.145 4.485 4.340 -0.000 0.000 0.197 434 R C 0.329 176.481 176.300 -0.246 0.000 0.971 434 R CA 0.535 56.433 56.100 -0.336 0.000 1.030 434 R CB -0.449 29.613 30.300 -0.397 0.000 0.932 434 R HN 0.068 nan 8.270 nan 0.000 0.477 435 S N 2.301 117.879 115.700 -0.203 0.000 2.443 435 S HA -0.011 4.459 4.470 -0.000 0.000 0.284 435 S C 0.748 175.264 174.600 -0.141 0.000 1.206 435 S CA -0.301 57.817 58.200 -0.138 0.000 1.074 435 S CB 1.344 64.486 63.200 -0.095 0.000 0.963 435 S HN 0.439 nan 8.310 nan 0.000 0.501 436 E N 3.840 123.968 120.200 -0.120 0.000 2.085 436 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 436 E C -0.127 176.425 176.600 -0.080 0.000 0.994 436 E CA 1.053 57.391 56.400 -0.104 0.000 0.801 436 E CB 0.175 29.826 29.700 -0.081 0.000 0.743 436 E HN 0.523 nan 8.360 nan 0.000 0.453 437 N N 0.403 119.064 118.700 -0.065 0.000 2.314 437 N HA 0.334 5.074 4.740 -0.000 0.000 0.294 437 N C -1.009 174.475 175.510 -0.044 0.000 1.029 437 N CA -0.338 52.683 53.050 -0.049 0.000 0.845 437 N CB 1.980 40.442 38.487 -0.041 0.000 1.321 437 N HN 0.046 nan 8.380 nan 0.000 0.481 438 L N 1.770 122.973 121.223 -0.035 0.000 2.303 438 L HA 0.552 4.892 4.340 -0.000 0.000 0.266 438 L C -1.364 175.495 176.870 -0.018 0.000 1.011 438 L CA -1.708 53.118 54.840 -0.024 0.000 0.818 438 L CB 2.282 44.331 42.059 -0.018 0.000 1.326 438 L HN 0.353 nan 8.230 nan 0.000 0.435 439 P HA 0.050 nan 4.420 nan 0.000 0.256 439 P C 0.639 177.934 177.300 -0.009 0.000 1.335 439 P CA 0.110 63.202 63.100 -0.013 0.000 0.808 439 P CB 0.325 32.019 31.700 -0.010 0.000 1.305 440 A N 1.907 124.726 122.820 -0.002 0.000 2.125 440 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 440 A C 2.118 179.701 177.584 -0.001 0.000 1.156 440 A CA 1.429 53.470 52.037 0.007 0.000 0.671 440 A CB -1.077 17.932 19.000 0.016 0.000 0.794 440 A HN 0.357 nan 8.150 nan 0.000 0.459 441 N N 0.483 119.173 118.700 -0.017 0.000 2.166 441 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 441 N C 1.502 176.981 175.510 -0.052 0.000 1.019 441 N CA 1.753 54.781 53.050 -0.037 0.000 0.856 441 N CB -0.766 37.691 38.487 -0.050 0.000 0.993 441 N HN 0.382 nan 8.380 nan 0.000 0.426 442 L N 0.831 122.026 121.223 -0.045 0.000 2.056 442 L HA 0.135 4.475 4.340 -0.000 0.000 0.207 442 L C 2.328 179.170 176.870 -0.047 0.000 1.078 442 L CA 1.018 55.823 54.840 -0.057 0.000 0.749 442 L CB -0.531 41.499 42.059 -0.049 0.000 0.901 442 L HN 0.109 nan 8.230 nan 0.000 0.433 443 I N -0.859 119.702 120.570 -0.016 0.000 2.179 443 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 443 I C 2.469 178.586 176.117 -0.001 0.000 1.088 443 I CA 1.035 62.340 61.300 0.009 0.000 1.357 443 I CB -0.413 37.604 38.000 0.028 0.000 1.051 443 I HN 0.357 nan 8.210 nan 0.000 0.409 444 Q N 0.509 120.312 119.800 0.006 0.000 2.124 444 Q HA -0.173 4.166 4.340 -0.000 0.000 0.202 444 Q C 2.456 178.469 176.000 0.021 0.000 0.977 444 Q CA 1.802 57.628 55.803 0.039 0.000 0.850 444 Q CB -0.416 28.366 28.738 0.074 0.000 0.901 444 Q HN 0.588 nan 8.270 nan 0.000 0.429 445 A N 1.040 123.830 122.820 -0.051 0.000 1.877 445 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 445 A C 2.111 179.556 177.584 -0.232 0.000 1.186 445 A CA 1.579 53.567 52.037 -0.082 0.000 0.620 445 A CB -0.522 18.408 19.000 -0.117 0.000 0.822 445 A HN 0.386 nan 8.150 nan 0.000 0.443 446 Q N -0.697 118.982 119.800 -0.202 0.000 2.050 446 Q HA -0.177 4.162 4.340 -0.000 0.000 0.202 446 Q C 2.372 178.097 176.000 -0.459 0.000 0.980 446 Q CA 1.742 57.428 55.803 -0.196 0.000 0.840 446 Q CB -0.194 28.556 28.738 0.020 0.000 0.898 446 Q HN 0.619 nan 8.270 nan 0.000 0.424 447 R N 0.296 120.523 120.500 -0.456 0.000 2.096 447 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 447 R C 1.807 177.866 176.300 -0.402 0.000 1.127 447 R CA 1.497 57.156 56.100 -0.735 0.000 0.968 447 R CB -0.165 30.025 30.300 -0.183 0.000 0.861 447 R HN 0.246 nan 8.270 nan 0.000 0.440 448 D N -0.375 120.005 120.400 -0.032 0.000 2.183 448 D HA -0.168 4.472 4.640 -0.000 0.000 0.203 448 D C 1.596 178.008 176.300 0.188 0.000 0.969 448 D CA 0.772 54.942 54.000 0.283 0.000 0.842 448 D CB 0.032 41.261 40.800 0.715 0.000 0.957 448 D HN 0.175 nan 8.370 nan 0.000 0.484 449 Y N 0.148 120.179 120.300 -0.449 0.000 2.089 449 Y HA -0.193 4.357 4.550 -0.000 0.000 0.282 449 Y C 1.855 177.697 175.900 -0.097 0.000 1.139 449 Y CA 2.214 59.873 58.100 -0.735 0.000 1.123 449 Y CB -0.555 37.298 38.460 -1.011 0.000 0.980 449 Y HN 0.114 nan 8.280 nan 0.000 0.493 450 F N -1.762 118.313 119.950 0.208 0.000 2.473 450 F HA 0.379 4.906 4.527 -0.000 0.000 0.294 450 F C 1.854 177.722 175.800 0.114 0.000 1.103 450 F CA 0.872 58.987 58.000 0.192 0.000 1.442 450 F CB -0.851 38.271 39.000 0.205 0.000 1.097 450 F HN -0.065 nan 8.300 nan 0.000 0.547 451 G N -1.004 107.797 108.800 0.001 0.000 3.342 451 G HA2 0.407 4.367 3.960 -0.000 0.000 0.252 451 G HA3 0.407 4.367 3.960 -0.000 0.000 0.252 451 G C 0.850 175.504 174.900 -0.411 0.000 1.011 451 G CA -0.018 44.990 45.100 -0.153 0.000 0.869 451 G HN 0.822 nan 8.290 nan 0.000 0.514 452 A N 0.609 123.362 122.820 -0.111 0.000 2.745 452 A HA -0.231 4.089 4.320 -0.000 0.000 0.296 452 A C 1.240 178.739 177.584 -0.141 0.000 1.500 452 A CA 1.085 53.108 52.037 -0.022 0.000 0.766 452 A CB -2.439 16.436 19.000 -0.208 0.000 1.030 452 A HN 0.540 nan 8.150 nan 0.000 0.489 453 H N 0.218 119.334 119.070 0.077 0.000 2.547 453 H HA 0.090 4.646 4.556 -0.000 0.000 0.272 453 H C 1.471 176.849 175.328 0.084 0.000 0.989 453 H CA 2.373 58.453 56.048 0.053 0.000 1.214 453 H CB -0.152 29.628 29.762 0.029 0.000 1.389 453 H HN 1.690 nan 8.280 nan 0.000 0.577 454 T N -1.321 113.383 114.554 0.251 0.000 0.541 454 T HA -0.185 4.165 4.350 -0.000 0.000 0.774 454 T C -0.736 174.108 174.700 0.239 0.000 0.992 454 T CA 0.388 62.581 62.100 0.154 0.000 4.077 454 T CB -1.370 67.506 68.868 0.014 0.000 2.303 454 T HN 0.556 nan 8.240 nan 0.000 0.398 455 Y N -1.426 119.013 120.300 0.231 0.000 2.656 455 Y HA 0.841 5.390 4.550 -0.000 0.000 0.334 455 Y C -0.497 175.549 175.900 0.244 0.000 1.179 455 Y CA -1.400 56.821 58.100 0.202 0.000 1.050 455 Y CB 0.898 39.474 38.460 0.193 0.000 1.308 455 Y HN 0.966 nan 8.280 nan 0.000 0.456 456 E N 1.574 122.024 120.200 0.418 0.000 2.250 456 E HA 0.567 4.917 4.350 -0.000 0.000 0.269 456 E C -0.936 175.909 176.600 0.408 0.000 1.018 456 E CA -1.189 55.434 56.400 0.373 0.000 0.873 456 E CB 1.524 31.356 29.700 0.219 0.000 1.134 456 E HN 0.524 nan 8.360 nan 0.000 0.403 457 R N -0.208 120.467 120.500 0.291 0.000 2.720 457 R HA 0.192 4.532 4.340 -0.000 0.000 0.272 457 R C 1.189 177.521 176.300 0.054 0.000 0.991 457 R CA -0.154 56.000 56.100 0.089 0.000 1.010 457 R CB 1.032 31.221 30.300 -0.186 0.000 1.141 457 R HN 0.677 nan 8.270 nan 0.000 0.494 458 T N -2.835 111.720 114.554 0.001 0.000 2.951 458 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 458 T C 0.967 175.664 174.700 -0.005 0.000 1.073 458 T CA 1.343 63.442 62.100 -0.003 0.000 1.134 458 T CB -0.079 68.775 68.868 -0.023 0.000 0.884 458 T HN 0.704 nan 8.240 nan 0.000 0.479 459 D N 1.091 121.478 120.400 -0.022 0.000 2.449 459 D HA 0.122 4.762 4.640 -0.000 0.000 0.210 459 D C 0.508 176.809 176.300 0.001 0.000 1.094 459 D CA -0.133 53.855 54.000 -0.020 0.000 0.846 459 D CB 0.049 40.825 40.800 -0.041 0.000 1.003 459 D HN 0.687 nan 8.370 nan 0.000 0.504 460 K N -0.528 119.885 120.400 0.022 0.000 2.532 460 K HA 0.731 5.051 4.320 -0.000 0.000 0.265 460 K C -0.958 175.746 176.600 0.173 0.000 0.948 460 K CA -1.123 55.215 56.287 0.085 0.000 0.842 460 K CB 2.111 34.669 32.500 0.097 0.000 1.392 460 K HN -0.064 nan 8.250 nan 0.000 0.436 461 A N 1.032 123.946 122.820 0.157 0.000 2.406 461 A HA 0.671 4.991 4.320 -0.000 0.000 0.243 461 A C 0.673 178.389 177.584 0.220 0.000 1.082 461 A CA 0.867 52.999 52.037 0.157 0.000 0.786 461 A CB -0.505 18.545 19.000 0.083 0.000 1.029 461 A HN 1.408 nan 8.150 nan 0.000 0.495 462 G N -0.869 108.002 108.800 0.119 0.000 2.440 462 G HA2 0.195 4.155 3.960 -0.000 0.000 0.684 462 G HA3 0.195 4.155 3.960 -0.000 0.000 0.684 462 G C -0.882 173.899 174.900 -0.199 0.000 1.309 462 G CA -0.454 44.577 45.100 -0.115 0.000 0.931 462 G HN 0.958 nan 8.290 nan 0.000 0.612 463 I N 0.232 120.519 120.570 -0.471 0.000 2.377 463 I HA 0.665 4.835 4.170 -0.000 0.000 0.293 463 I C -0.376 175.314 176.117 -0.713 0.000 0.987 463 I CA -0.607 60.478 61.300 -0.359 0.000 1.185 463 I CB 1.274 39.152 38.000 -0.203 0.000 1.341 463 I HN 0.357 nan 8.210 nan 0.000 0.455 464 F N 3.653 123.421 119.950 -0.304 0.000 2.577 464 F HA 0.500 5.027 4.527 -0.000 0.000 0.318 464 F C -0.197 175.235 175.800 -0.614 0.000 1.065 464 F CA -0.751 56.987 58.000 -0.437 0.000 0.929 464 F CB 1.670 40.397 39.000 -0.455 0.000 1.237 464 F HN 0.393 nan 8.300 nan 0.000 0.468 465 H N 0.612 119.551 119.070 -0.218 0.000 2.771 465 H HA 0.398 4.954 4.556 -0.000 0.000 0.361 465 H C -2.052 173.329 175.328 0.088 0.000 1.108 465 H CA -0.980 55.021 56.048 -0.078 0.000 1.201 465 H CB 1.363 31.117 29.762 -0.014 0.000 1.681 465 H HN 0.571 nan 8.280 nan 0.000 0.534 466 Y N 2.970 122.951 120.300 -0.531 0.000 2.361 466 Y HA 0.245 4.794 4.550 -0.000 0.000 0.332 466 Y C -0.285 175.035 175.900 -0.967 0.000 1.101 466 Y CA -0.719 56.958 58.100 -0.705 0.000 1.137 466 Y CB 1.194 39.046 38.460 -1.013 0.000 1.207 466 Y HN 0.723 nan 8.280 nan 0.000 0.463 467 D N 4.949 124.773 120.400 -0.959 0.000 2.453 467 D HA 0.025 4.665 4.640 -0.000 0.000 0.223 467 D C -0.392 175.651 176.300 -0.429 0.000 1.183 467 D CA -0.116 53.574 54.000 -0.515 0.000 0.933 467 D CB -0.054 40.525 40.800 -0.367 0.000 1.038 467 D HN 0.622 nan 8.370 nan 0.000 0.513 468 W N 2.323 123.591 121.300 -0.053 0.000 3.077 468 W HA 0.049 4.709 4.660 -0.000 0.000 0.245 468 W C 0.270 176.429 176.519 -0.600 0.000 1.316 468 W CA -0.258 56.951 57.345 -0.227 0.000 1.537 468 W CB -0.078 29.047 29.460 -0.558 0.000 1.131 468 W HN 0.445 nan 8.180 nan 0.000 0.695 469 Y N -0.062 120.324 120.300 0.145 0.000 2.738 469 Y HA 0.568 5.118 4.550 -0.000 0.000 0.249 469 Y C 0.940 176.864 175.900 0.040 0.000 1.153 469 Y CA 0.355 58.511 58.100 0.094 0.000 1.165 469 Y CB 0.013 38.509 38.460 0.060 0.000 1.235 469 Y HN -0.184 nan 8.280 nan 0.000 0.559 470 T N 0.000 114.613 114.554 0.098 0.000 3.816 470 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 470 T CA 0.000 nan 62.100 nan 0.000 1.349 470 T CB 0.000 nan 68.868 nan 0.000 0.612 470 T HN 0.000 nan 8.240 nan 0.000 0.658