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 1e03_1_I DATA FIRST_RESID 6 DATA SEQUENCE DIcTAKPRDI PMNPMcIYRS PEKXXXXXXX XEQKIPEATN RRVWELSKAN DATA SEQUENCE SRFATTFYQH LADSKNDNDN IFLSPLSIST AFAMTKLGAc NDTLQQLMEV DATA SEQUENCE FKFDTISEKT SDQIHFFFAK LNcRLYRKAN KSSKLVSANR LFGDKSLTFN DATA SEQUENCE ETYQDISELV YGAKLQPLDF KENAEQSRAA INKWVSNKTE GRITDVIPSE DATA SEQUENCE AINELTVLVL VNTIYFKGLW KSKFSPENTR KELFYKADGE ScSASMMYQE DATA SEQUENCE GKFRYRRVAE GTQVLELPFK GDDITMVLIL PKPEKSLAKV EKELTPEVLQ DATA SEQUENCE EWLDELEEMM LVVHMPRFRI EDGFSLKEQL QDMGLVDLFS PEKSKLPGIV DATA SEQUENCE AEGRDDLYVS DAFHKAFLEV NEEGSEAAAS TAVVIAGRSL NPNRVTFKAN DATA SEQUENCE RPFLVFIREV PLNTIIFMGR VANPcV 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.333 176.300 0.055 0.000 2.045 6 D CA 0.000 54.024 54.000 0.040 0.000 0.868 6 D CB 0.000 40.821 40.800 0.035 0.000 0.688 7 I N -0.444 120.161 120.570 0.058 0.000 2.229 7 I HA -0.318 3.855 4.170 0.004 0.000 0.250 7 I C 1.885 178.024 176.117 0.037 0.000 1.096 7 I CA 1.385 62.730 61.300 0.074 0.000 1.358 7 I CB -2.079 35.937 38.000 0.026 0.000 1.047 7 I HN 0.346 nan 8.210 nan 0.000 0.422 8 c N 1.773 120.382 118.600 0.013 0.000 2.429 8 c HA -0.091 4.482 4.570 0.004 0.000 0.277 8 c C 2.947 177.062 174.090 0.041 0.000 1.262 8 c CA 1.519 57.851 56.329 0.005 0.000 1.733 8 c CB -1.814 40.707 42.510 0.019 0.000 2.010 8 c HN 0.723 nan 8.230 nan 0.000 0.483 9 T N -0.292 114.296 114.554 0.057 0.000 3.065 9 T HA 0.387 4.739 4.350 0.004 0.000 0.252 9 T C 0.802 175.556 174.700 0.090 0.000 1.099 9 T CA 0.690 62.829 62.100 0.065 0.000 1.063 9 T CB -0.169 68.728 68.868 0.048 0.000 0.948 9 T HN 0.555 nan 8.240 nan 0.000 0.506 10 A N 1.332 124.223 122.820 0.118 0.000 2.327 10 A HA 0.649 4.971 4.320 0.004 0.000 0.255 10 A C 0.229 177.955 177.584 0.237 0.000 1.099 10 A CA -0.386 51.736 52.037 0.143 0.000 0.801 10 A CB 0.418 19.511 19.000 0.154 0.000 1.062 10 A HN 0.408 nan 8.150 nan 0.000 0.496 11 K N -0.249 120.217 120.400 0.110 0.000 2.444 11 K HA 0.456 4.778 4.320 0.004 0.000 0.252 11 K C -2.185 174.147 176.600 -0.448 0.000 0.993 11 K CA -1.855 54.438 56.287 0.010 0.000 0.847 11 K CB 1.989 34.504 32.500 0.025 0.000 1.340 11 K HN 0.244 nan 8.250 nan 0.000 0.446 12 P HA -0.294 nan 4.420 nan 0.000 0.217 12 P C 1.151 178.170 177.300 -0.469 0.000 1.158 12 P CA 1.843 64.401 63.100 -0.902 0.000 0.887 12 P CB 0.198 31.573 31.700 -0.541 0.000 0.792 13 R N -0.119 120.229 120.500 -0.254 0.000 2.148 13 R HA -0.123 4.219 4.340 0.004 0.000 0.223 13 R C 1.826 178.048 176.300 -0.130 0.000 1.088 13 R CA 1.899 57.907 56.100 -0.152 0.000 0.985 13 R CB -2.128 28.120 30.300 -0.088 0.000 0.880 13 R HN 0.223 nan 8.270 nan 0.000 0.451 14 D N 0.851 121.170 120.400 -0.136 0.000 2.127 14 D HA -0.117 4.525 4.640 0.004 0.000 0.190 14 D C 1.047 177.300 176.300 -0.078 0.000 1.000 14 D CA 1.924 55.875 54.000 -0.082 0.000 0.839 14 D CB -0.043 40.728 40.800 -0.049 0.000 0.955 14 D HN 0.611 nan 8.370 nan 0.000 0.446 15 I N -0.664 119.839 120.570 -0.110 0.000 2.428 15 I HA 0.333 4.506 4.170 0.004 0.000 0.279 15 I C -2.740 173.314 176.117 -0.105 0.000 1.040 15 I CA -2.273 58.981 61.300 -0.077 0.000 1.171 15 I CB 0.631 38.611 38.000 -0.033 0.000 1.312 15 I HN -0.264 nan 8.210 nan 0.000 0.470 16 P HA 0.136 nan 4.420 nan 0.000 0.260 16 P C 0.033 177.308 177.300 -0.043 0.000 1.185 16 P CA 0.376 63.432 63.100 -0.074 0.000 0.763 16 P CB 0.586 32.257 31.700 -0.048 0.000 0.776 17 M N 1.582 121.165 119.600 -0.029 0.000 3.269 17 M HA 0.264 4.746 4.480 0.004 0.000 0.340 17 M C -0.368 175.977 176.300 0.074 0.000 1.662 17 M CA -0.801 54.525 55.300 0.043 0.000 0.547 17 M CB -0.873 31.826 32.600 0.166 0.000 1.449 17 M HN 0.136 nan 8.290 nan 0.000 0.459 18 N N 3.729 122.449 118.700 0.032 0.000 2.442 18 N HA 0.615 5.358 4.740 0.004 0.000 0.265 18 N C -2.245 173.285 175.510 0.034 0.000 1.138 18 N CA -0.753 52.322 53.050 0.041 0.000 0.956 18 N CB 1.128 39.628 38.487 0.022 0.000 1.067 18 N HN 0.609 nan 8.380 nan 0.000 0.474 19 P HA 0.047 nan 4.420 nan 0.000 0.274 19 P C 0.676 177.990 177.300 0.023 0.000 1.237 19 P CA -0.476 62.634 63.100 0.016 0.000 0.793 19 P CB 0.956 32.675 31.700 0.031 0.000 0.977 20 M N 0.990 120.599 119.600 0.015 0.000 2.200 20 M HA -0.106 4.376 4.480 0.004 0.000 0.261 20 M C 0.476 176.792 176.300 0.026 0.000 1.074 20 M CA 2.070 57.380 55.300 0.016 0.000 1.098 20 M CB -0.447 32.158 32.600 0.008 0.000 1.268 20 M HN 0.295 nan 8.290 nan 0.000 0.432 21 c N 0.263 118.882 118.600 0.031 0.000 2.347 21 c HA 0.646 5.218 4.570 0.004 0.000 0.366 21 c C 0.157 174.289 174.090 0.070 0.000 1.241 21 c CA -1.070 55.288 56.329 0.048 0.000 2.360 21 c CB 0.502 43.043 42.510 0.052 0.000 2.290 21 c HN 0.563 nan 8.230 nan 0.000 0.587 22 I N -0.473 120.151 120.570 0.089 0.000 2.865 22 I HA 0.642 4.814 4.170 0.004 0.000 0.302 22 I C -1.412 174.806 176.117 0.168 0.000 1.140 22 I CA -0.751 60.617 61.300 0.113 0.000 1.021 22 I CB 1.811 39.858 38.000 0.078 0.000 1.233 22 I HN 0.638 nan 8.210 nan 0.000 0.427 23 Y N 3.855 124.185 120.300 0.050 0.000 2.391 23 Y HA 0.718 5.271 4.550 0.004 0.000 0.341 23 Y C -1.077 174.856 175.900 0.054 0.000 0.965 23 Y CA -0.586 57.547 58.100 0.054 0.000 1.067 23 Y CB 1.311 39.812 38.460 0.068 0.000 1.199 23 Y HN 0.575 nan 8.280 nan 0.000 0.450 24 R N 3.184 123.288 120.500 -0.660 0.000 2.795 24 R HA 0.653 4.996 4.340 0.004 0.000 0.275 24 R C -0.973 174.878 176.300 -0.749 0.000 0.981 24 R CA -0.854 54.962 56.100 -0.473 0.000 0.917 24 R CB 1.561 31.728 30.300 -0.222 0.000 1.202 24 R HN 0.782 nan 8.270 nan 0.000 0.469 25 S N -0.034 115.462 115.700 -0.341 0.000 2.740 25 S HA 0.584 5.056 4.470 0.004 0.000 0.300 25 S C -1.690 172.870 174.600 -0.067 0.000 1.147 25 S CA -0.928 57.160 58.200 -0.187 0.000 0.871 25 S CB 1.320 64.548 63.200 0.047 0.000 1.173 25 S HN 0.357 nan 8.310 nan 0.000 0.510 26 P HA 0.168 nan 4.420 nan 0.000 0.218 26 P C 0.148 177.451 177.300 0.006 0.000 1.148 26 P CA 0.988 64.088 63.100 -0.000 0.000 0.822 26 P CB 0.060 31.770 31.700 0.018 0.000 0.784 27 E N -1.120 119.090 120.200 0.017 0.000 2.264 27 E HA 0.467 4.820 4.350 0.004 0.000 0.260 27 E C -0.099 176.511 176.600 0.017 0.000 0.961 27 E CA -0.506 55.904 56.400 0.017 0.000 0.834 27 E CB 1.039 30.753 29.700 0.023 0.000 1.230 27 E HN -0.026 nan 8.360 nan 0.000 0.412 38 Q N 0.531 120.391 119.800 0.099 0.000 2.294 38 Q HA 0.743 5.086 4.340 0.004 0.000 0.257 38 Q C 0.133 176.216 176.000 0.138 0.000 0.955 38 Q CA 0.213 56.119 55.803 0.171 0.000 0.936 38 Q CB 0.256 29.113 28.738 0.198 0.000 1.188 38 Q HN 1.495 nan 8.270 nan 0.000 0.420 39 K N 1.342 121.841 120.400 0.165 0.000 2.533 39 K HA 0.878 5.200 4.320 0.004 0.000 0.272 39 K C -1.339 175.141 176.600 -0.201 0.000 0.985 39 K CA -0.194 56.089 56.287 -0.007 0.000 0.876 39 K CB 1.745 34.245 32.500 0.000 0.000 1.452 39 K HN 1.360 nan 8.250 nan 0.000 0.439 40 I N 2.158 122.491 120.570 -0.395 0.000 2.406 40 I HA 0.560 4.732 4.170 0.004 0.000 0.290 40 I C -2.278 173.609 176.117 -0.382 0.000 0.999 40 I CA -2.060 58.825 61.300 -0.692 0.000 1.124 40 I CB 2.177 39.715 38.000 -0.770 0.000 1.289 40 I HN 0.622 nan 8.210 nan 0.000 0.441 41 P HA 0.100 nan 4.420 nan 0.000 0.270 41 P C -1.076 176.142 177.300 -0.136 0.000 1.227 41 P CA -0.203 62.809 63.100 -0.147 0.000 0.788 41 P CB 0.351 32.014 31.700 -0.062 0.000 0.926 42 E N 0.717 120.874 120.200 -0.073 0.000 2.373 42 E HA 0.284 4.636 4.350 0.004 0.000 0.267 42 E C 0.334 176.908 176.600 -0.045 0.000 1.032 42 E CA 0.080 56.446 56.400 -0.058 0.000 0.889 42 E CB 0.112 29.792 29.700 -0.034 0.000 0.984 42 E HN 0.607 nan 8.360 nan 0.000 0.425 43 A N 2.843 125.637 122.820 -0.043 0.000 2.312 43 A HA -0.178 4.144 4.320 0.004 0.000 0.286 43 A C -0.146 177.424 177.584 -0.023 0.000 1.425 43 A CA 1.305 53.326 52.037 -0.027 0.000 0.748 43 A CB -1.773 17.221 19.000 -0.011 0.000 1.126 43 A HN 0.403 nan 8.150 nan 0.000 0.368 44 T N 1.665 116.192 114.554 -0.045 0.000 2.916 44 T HA 0.392 4.744 4.350 0.004 0.000 0.298 44 T C -0.153 174.526 174.700 -0.034 0.000 1.031 44 T CA -0.704 61.377 62.100 -0.031 0.000 0.993 44 T CB 1.239 70.077 68.868 -0.050 0.000 1.045 44 T HN 0.586 nan 8.240 nan 0.000 0.454 45 N N 1.927 120.631 118.700 0.007 0.000 2.452 45 N HA 0.018 4.760 4.740 0.004 0.000 0.266 45 N C 1.533 177.050 175.510 0.011 0.000 1.175 45 N CA -0.268 52.786 53.050 0.005 0.000 0.945 45 N CB 0.893 39.400 38.487 0.032 0.000 1.063 45 N HN 0.663 nan 8.380 nan 0.000 0.472 46 R N 4.327 124.820 120.500 -0.012 0.000 2.091 46 R HA -0.126 4.216 4.340 0.004 0.000 0.238 46 R C 1.597 177.954 176.300 0.095 0.000 1.136 46 R CA 1.098 57.234 56.100 0.060 0.000 0.959 46 R CB -0.214 30.092 30.300 0.010 0.000 0.856 46 R HN 0.536 nan 8.270 nan 0.000 0.437 47 R N 1.126 121.556 120.500 -0.116 0.000 2.070 47 R HA -0.067 4.275 4.340 0.004 0.000 0.233 47 R C 2.453 178.599 176.300 -0.257 0.000 1.137 47 R CA 1.662 57.564 56.100 -0.331 0.000 0.945 47 R CB -0.850 28.924 30.300 -0.876 0.000 0.845 47 R HN 0.073 nan 8.270 nan 0.000 0.430 48 V N 0.705 120.517 119.914 -0.170 0.000 2.252 48 V HA -0.290 3.832 4.120 0.004 0.000 0.249 48 V C 2.086 178.191 176.094 0.018 0.000 1.056 48 V CA 2.200 64.468 62.300 -0.053 0.000 1.022 48 V CB -0.707 31.129 31.823 0.020 0.000 0.641 48 V HN 0.514 nan 8.190 nan 0.000 0.445 49 W N 1.706 122.943 121.300 -0.106 0.000 2.318 49 W HA -0.298 4.364 4.660 0.004 0.000 0.313 49 W C 2.607 179.086 176.519 -0.067 0.000 1.221 49 W CA 2.495 59.797 57.345 -0.073 0.000 1.266 49 W CB -0.264 29.164 29.460 -0.052 0.000 1.150 49 W HN 0.562 nan 8.180 nan 0.000 0.496 50 E N -0.077 120.040 120.200 -0.138 0.000 2.085 50 E HA -0.300 4.052 4.350 0.004 0.000 0.194 50 E C 2.073 178.528 176.600 -0.242 0.000 0.994 50 E CA 1.676 57.883 56.400 -0.323 0.000 0.801 50 E CB -1.106 28.509 29.700 -0.142 0.000 0.743 50 E HN 0.411 nan 8.360 nan 0.000 0.453 51 L N 1.444 122.565 121.223 -0.171 0.000 2.156 51 L HA -0.074 4.269 4.340 0.004 0.000 0.208 51 L C 2.568 179.341 176.870 -0.162 0.000 1.095 51 L CA 1.786 56.533 54.840 -0.155 0.000 0.770 51 L CB -0.365 41.533 42.059 -0.267 0.000 0.914 51 L HN 0.264 nan 8.230 nan 0.000 0.439 52 S N -0.971 114.624 115.700 -0.174 0.000 2.402 52 S HA -0.197 4.275 4.470 0.004 0.000 0.229 52 S C 2.080 176.612 174.600 -0.113 0.000 1.021 52 S CA 1.320 59.448 58.200 -0.119 0.000 0.974 52 S CB -0.129 63.032 63.200 -0.064 0.000 0.800 52 S HN 0.472 nan 8.310 nan 0.000 0.484 53 K N 0.848 121.113 120.400 -0.225 0.000 2.155 53 K HA 0.189 4.511 4.320 0.004 0.000 0.203 53 K C 2.358 178.903 176.600 -0.092 0.000 1.052 53 K CA 0.990 57.145 56.287 -0.220 0.000 0.948 53 K CB -0.364 31.885 32.500 -0.420 0.000 0.728 53 K HN 0.437 nan 8.250 nan 0.000 0.448 54 A N 1.664 124.460 122.820 -0.040 0.000 1.877 54 A HA -0.250 4.072 4.320 0.004 0.000 0.216 54 A C 1.962 179.636 177.584 0.148 0.000 1.186 54 A CA 2.009 54.090 52.037 0.072 0.000 0.620 54 A CB -0.786 18.317 19.000 0.171 0.000 0.822 54 A HN 0.386 nan 8.150 nan 0.000 0.443 55 N N 0.339 119.143 118.700 0.173 0.000 2.036 55 N HA -0.165 4.578 4.740 0.004 0.000 0.195 55 N C 1.796 177.433 175.510 0.210 0.000 1.037 55 N CA 2.394 55.596 53.050 0.254 0.000 0.855 55 N CB -0.431 38.187 38.487 0.217 0.000 1.033 55 N HN 0.326 nan 8.380 nan 0.000 0.423 56 S N 0.218 115.980 115.700 0.104 0.000 2.359 56 S HA -0.161 4.311 4.470 0.004 0.000 0.222 56 S C 1.904 176.539 174.600 0.058 0.000 1.038 56 S CA 1.228 59.467 58.200 0.065 0.000 1.051 56 S CB -0.404 62.800 63.200 0.005 0.000 0.944 56 S HN 0.393 nan 8.310 nan 0.000 0.433 57 R N -0.232 120.296 120.500 0.046 0.000 2.112 57 R HA -0.175 4.168 4.340 0.004 0.000 0.242 57 R C 2.141 178.480 176.300 0.064 0.000 1.137 57 R CA 1.977 58.099 56.100 0.036 0.000 0.944 57 R CB -0.690 29.628 30.300 0.029 0.000 0.857 57 R HN 0.437 nan 8.270 nan 0.000 0.435 58 F N 1.281 121.223 119.950 -0.014 0.000 2.043 58 F HA -0.267 4.262 4.527 0.004 0.000 0.297 58 F C 2.333 178.162 175.800 0.049 0.000 1.121 58 F CA 1.542 59.523 58.000 -0.031 0.000 1.199 58 F CB -0.810 38.162 39.000 -0.046 0.000 0.968 58 F HN 0.057 nan 8.300 nan 0.000 0.478 59 A N 0.171 122.925 122.820 -0.109 0.000 1.896 59 A HA -0.356 3.967 4.320 0.004 0.000 0.220 59 A C 2.294 179.863 177.584 -0.026 0.000 1.206 59 A CA 3.558 55.546 52.037 -0.081 0.000 0.647 59 A CB -1.811 17.252 19.000 0.105 0.000 0.828 59 A HN 0.626 nan 8.150 nan 0.000 0.455 60 T N -2.367 112.188 114.554 0.003 0.000 2.622 60 T HA -0.185 4.167 4.350 0.004 0.000 0.266 60 T C 1.848 176.559 174.700 0.018 0.000 1.047 60 T CA 2.254 64.379 62.100 0.042 0.000 1.159 60 T CB -1.498 67.381 68.868 0.018 0.000 0.863 60 T HN 0.463 nan 8.240 nan 0.000 0.422 61 T N 1.570 116.083 114.554 -0.070 0.000 2.684 61 T HA -0.068 4.284 4.350 0.004 0.000 0.267 61 T C 1.482 176.086 174.700 -0.161 0.000 1.036 61 T CA 1.405 63.452 62.100 -0.089 0.000 1.148 61 T CB -0.854 67.935 68.868 -0.131 0.000 0.863 61 T HN 0.333 nan 8.240 nan 0.000 0.436 62 F N 0.841 120.488 119.950 -0.505 0.000 2.065 62 F HA -0.171 4.358 4.527 0.004 0.000 0.298 62 F C 2.293 177.980 175.800 -0.189 0.000 1.112 62 F CA 1.225 58.918 58.000 -0.513 0.000 1.212 62 F CB -0.595 37.860 39.000 -0.909 0.000 0.975 62 F HN 0.138 nan 8.300 nan 0.000 0.476 63 Y N 1.086 121.327 120.300 -0.100 0.000 2.145 63 Y HA -0.294 4.258 4.550 0.004 0.000 0.286 63 Y C 2.581 178.402 175.900 -0.132 0.000 1.145 63 Y CA 2.252 60.302 58.100 -0.083 0.000 1.148 63 Y CB -0.769 37.695 38.460 0.006 0.000 0.981 63 Y HN 0.192 nan 8.280 nan 0.000 0.507 64 Q N -0.800 119.066 119.800 0.110 0.000 2.029 64 Q HA -0.318 4.024 4.340 0.004 0.000 0.209 64 Q C 2.191 178.122 176.000 -0.116 0.000 0.999 64 Q CA 2.056 57.880 55.803 0.035 0.000 0.857 64 Q CB -0.654 28.120 28.738 0.061 0.000 0.926 64 Q HN 0.684 nan 8.270 nan 0.000 0.415 65 H N 0.096 118.996 119.070 -0.283 0.000 2.265 65 H HA -0.181 4.377 4.556 0.004 0.000 0.295 65 H C 2.346 177.419 175.328 -0.425 0.000 1.084 65 H CA 1.672 57.516 56.048 -0.339 0.000 1.261 65 H CB -0.174 29.341 29.762 -0.412 0.000 1.360 65 H HN 0.156 nan 8.280 nan 0.000 0.487 66 L N 1.056 121.996 121.223 -0.472 0.000 1.978 66 L HA -0.229 4.113 4.340 0.004 0.000 0.218 66 L C 2.682 179.254 176.870 -0.498 0.000 1.075 66 L CA 2.217 56.723 54.840 -0.557 0.000 0.767 66 L CB -1.058 40.595 42.059 -0.677 0.000 0.890 66 L HN 0.250 nan 8.230 nan 0.000 0.434 67 A N -0.838 121.613 122.820 -0.614 0.000 1.873 67 A HA -0.355 3.968 4.320 0.004 0.000 0.218 67 A C 2.141 179.556 177.584 -0.282 0.000 1.193 67 A CA 2.256 53.996 52.037 -0.495 0.000 0.629 67 A CB -1.366 17.348 19.000 -0.476 0.000 0.826 67 A HN 0.634 nan 8.150 nan 0.000 0.447 68 D N -0.164 120.092 120.400 -0.240 0.000 2.190 68 D HA -0.136 4.507 4.640 0.004 0.000 0.200 68 D C 1.956 178.146 176.300 -0.182 0.000 0.992 68 D CA 1.789 55.675 54.000 -0.190 0.000 0.854 68 D CB -0.051 40.624 40.800 -0.208 0.000 0.936 68 D HN 0.521 nan 8.370 nan 0.000 0.462 69 S N -1.621 113.954 115.700 -0.210 0.000 2.671 69 S HA 0.171 4.643 4.470 0.004 0.000 0.220 69 S C 0.586 175.089 174.600 -0.162 0.000 0.951 69 S CA -0.324 57.770 58.200 -0.177 0.000 0.932 69 S CB 0.289 63.376 63.200 -0.188 0.000 0.777 69 S HN 0.058 nan 8.310 nan 0.000 0.508 70 K N 1.367 121.665 120.400 -0.170 0.000 2.352 70 K HA 0.339 4.661 4.320 0.004 0.000 0.240 70 K C -0.591 175.943 176.600 -0.109 0.000 1.017 70 K CA -0.909 55.289 56.287 -0.148 0.000 0.851 70 K CB 0.824 33.211 32.500 -0.188 0.000 1.261 70 K HN 0.080 nan 8.250 nan 0.000 0.451 71 N N 1.074 119.722 118.700 -0.087 0.000 2.508 71 N HA -0.036 4.707 4.740 0.004 0.000 0.264 71 N C -0.272 175.203 175.510 -0.059 0.000 1.216 71 N CA 0.161 53.174 53.050 -0.062 0.000 0.943 71 N CB 0.965 39.424 38.487 -0.047 0.000 1.113 71 N HN 0.439 nan 8.380 nan 0.000 0.447 72 D N 1.168 121.544 120.400 -0.040 0.000 2.312 72 D HA -0.033 4.609 4.640 0.004 0.000 0.211 72 D C 0.550 176.842 176.300 -0.013 0.000 0.964 72 D CA 0.909 54.893 54.000 -0.025 0.000 0.877 72 D CB 0.117 40.911 40.800 -0.010 0.000 0.924 72 D HN 0.519 nan 8.370 nan 0.000 0.515 73 N N 0.747 119.438 118.700 -0.015 0.000 2.280 73 N HA -0.020 4.723 4.740 0.004 0.000 0.192 73 N C -0.220 175.268 175.510 -0.037 0.000 1.109 73 N CA 0.121 53.165 53.050 -0.010 0.000 0.855 73 N CB 0.708 39.193 38.487 -0.003 0.000 0.974 73 N HN 0.127 nan 8.380 nan 0.000 0.482 74 D N 1.045 121.416 120.400 -0.049 0.000 2.283 74 D HA 0.194 4.836 4.640 0.004 0.000 0.248 74 D C 0.200 176.457 176.300 -0.071 0.000 1.072 74 D CA 0.013 53.977 54.000 -0.060 0.000 0.929 74 D CB 0.810 41.569 40.800 -0.068 0.000 1.182 74 D HN -0.068 nan 8.370 nan 0.000 0.433 75 N N 0.740 119.396 118.700 -0.073 0.000 2.493 75 N HA 0.407 5.149 4.740 0.004 0.000 0.275 75 N C -0.101 175.395 175.510 -0.022 0.000 1.186 75 N CA -0.269 52.736 53.050 -0.075 0.000 0.978 75 N CB 1.187 39.620 38.487 -0.090 0.000 1.184 75 N HN 0.306 nan 8.380 nan 0.000 0.487 76 I N -0.413 120.176 120.570 0.031 0.000 3.145 76 I HA 0.578 4.750 4.170 0.004 0.000 0.313 76 I C -1.072 175.222 176.117 0.297 0.000 1.122 76 I CA -0.714 60.647 61.300 0.102 0.000 0.987 76 I CB 1.918 39.955 38.000 0.063 0.000 1.236 76 I HN 0.375 nan 8.210 nan 0.000 0.453 77 F N 4.907 124.966 119.950 0.182 0.000 2.871 77 F HA 0.459 4.989 4.527 0.004 0.000 0.322 77 F C -1.713 174.337 175.800 0.416 0.000 1.029 77 F CA -0.703 57.441 58.000 0.240 0.000 1.197 77 F CB 0.680 39.769 39.000 0.149 0.000 1.478 77 F HN 0.443 nan 8.300 nan 0.000 0.709 78 L N 1.959 123.106 121.223 -0.125 0.000 2.510 78 L HA 0.930 5.272 4.340 0.004 0.000 0.252 78 L C -1.421 175.488 176.870 0.065 0.000 1.091 78 L CA -1.002 53.965 54.840 0.211 0.000 0.888 78 L CB 2.013 44.366 42.059 0.489 0.000 1.507 78 L HN 0.405 nan 8.230 nan 0.000 0.407 79 S N 0.347 116.207 115.700 0.267 0.000 2.733 79 S HA 0.567 5.040 4.470 0.004 0.000 0.307 79 S C -2.042 172.570 174.600 0.020 0.000 1.127 79 S CA -1.341 56.924 58.200 0.109 0.000 1.097 79 S CB 1.231 64.540 63.200 0.182 0.000 1.003 79 S HN 0.631 nan 8.310 nan 0.000 0.477 80 P HA -0.058 nan 4.420 nan 0.000 0.217 80 P C 1.659 179.071 177.300 0.186 0.000 1.151 80 P CA 0.442 63.618 63.100 0.127 0.000 0.828 80 P CB 0.140 31.939 31.700 0.164 0.000 0.788 81 L N -0.522 120.772 121.223 0.118 0.000 2.046 81 L HA -0.133 4.209 4.340 0.004 0.000 0.208 81 L C 2.552 179.528 176.870 0.177 0.000 1.077 81 L CA 1.637 56.572 54.840 0.159 0.000 0.747 81 L CB -0.753 41.339 42.059 0.055 0.000 0.896 81 L HN 0.015 nan 8.230 nan 0.000 0.432 82 S N -0.041 115.731 115.700 0.121 0.000 2.356 82 S HA -0.160 4.312 4.470 0.004 0.000 0.223 82 S C 1.843 176.537 174.600 0.156 0.000 1.032 82 S CA 1.317 59.613 58.200 0.160 0.000 1.005 82 S CB -0.181 63.158 63.200 0.230 0.000 0.867 82 S HN 0.316 nan 8.310 nan 0.000 0.449 83 I N 0.982 121.620 120.570 0.115 0.000 2.208 83 I HA -0.182 3.990 4.170 0.004 0.000 0.245 83 I C 2.442 178.630 176.117 0.119 0.000 1.097 83 I CA 1.004 62.380 61.300 0.126 0.000 1.363 83 I CB -0.415 37.576 38.000 -0.015 0.000 1.051 83 I HN 0.215 nan 8.210 nan 0.000 0.413 84 S N 0.167 115.916 115.700 0.081 0.000 2.368 84 S HA -0.172 4.300 4.470 0.004 0.000 0.225 84 S C 2.059 176.477 174.600 -0.304 0.000 1.030 84 S CA 1.963 60.140 58.200 -0.038 0.000 0.999 84 S CB -0.442 62.949 63.200 0.318 0.000 0.844 84 S HN 0.475 nan 8.310 nan 0.000 0.459 85 T N 2.712 117.148 114.554 -0.198 0.000 2.622 85 T HA -0.109 4.243 4.350 0.004 0.000 0.266 85 T C 2.192 176.634 174.700 -0.431 0.000 1.047 85 T CA 1.353 63.204 62.100 -0.415 0.000 1.159 85 T CB -0.784 68.131 68.868 0.079 0.000 0.863 85 T HN 0.463 nan 8.240 nan 0.000 0.422 86 A N 1.429 124.121 122.820 -0.213 0.000 1.881 86 A HA -0.159 4.163 4.320 0.004 0.000 0.219 86 A C 2.015 179.233 177.584 -0.610 0.000 1.215 86 A CA 2.072 53.880 52.037 -0.383 0.000 0.648 86 A CB -1.369 17.497 19.000 -0.225 0.000 0.832 86 A HN 0.497 nan 8.150 nan 0.000 0.455 87 F N 0.122 119.760 119.950 -0.520 0.000 2.250 87 F HA -0.081 4.449 4.527 0.004 0.000 0.301 87 F C 2.708 178.162 175.800 -0.576 0.000 1.077 87 F CA 0.838 58.444 58.000 -0.657 0.000 1.348 87 F CB -0.469 37.845 39.000 -1.144 0.000 1.040 87 F HN 0.279 nan 8.300 nan 0.000 0.509 88 A N -0.130 122.383 122.820 -0.511 0.000 1.902 88 A HA -0.189 4.134 4.320 0.004 0.000 0.217 88 A C 2.271 179.596 177.584 -0.433 0.000 1.181 88 A CA 1.432 53.130 52.037 -0.566 0.000 0.623 88 A CB -0.540 17.834 19.000 -1.044 0.000 0.818 88 A HN 0.156 nan 8.150 nan 0.000 0.443 89 M N 0.326 119.607 119.600 -0.532 0.000 2.082 89 M HA -0.167 4.316 4.480 0.004 0.000 0.258 89 M C 2.518 178.667 176.300 -0.253 0.000 1.071 89 M CA 2.462 57.480 55.300 -0.470 0.000 1.103 89 M CB -2.047 30.118 32.600 -0.724 0.000 1.307 89 M HN 0.719 nan 8.290 nan 0.000 0.409 90 T N -1.425 112.950 114.554 -0.299 0.000 2.849 90 T HA -0.182 4.170 4.350 0.004 0.000 0.270 90 T C 1.870 176.486 174.700 -0.141 0.000 1.066 90 T CA 1.504 63.473 62.100 -0.218 0.000 1.130 90 T CB -0.282 68.428 68.868 -0.262 0.000 0.864 90 T HN 0.274 nan 8.240 nan 0.000 0.481 91 K N 0.521 120.840 120.400 -0.136 0.000 2.097 91 K HA -0.064 4.258 4.320 0.004 0.000 0.206 91 K C 2.228 178.791 176.600 -0.061 0.000 1.049 91 K CA 1.071 57.311 56.287 -0.078 0.000 0.933 91 K CB -0.659 31.792 32.500 -0.082 0.000 0.717 91 K HN 0.415 nan 8.250 nan 0.000 0.442 92 L N 0.864 122.038 121.223 -0.082 0.000 2.081 92 L HA -0.101 4.242 4.340 0.004 0.000 0.212 92 L C 2.111 178.977 176.870 -0.008 0.000 1.080 92 L CA 2.378 57.168 54.840 -0.083 0.000 0.754 92 L CB -1.017 40.936 42.059 -0.177 0.000 0.893 92 L HN 0.314 nan 8.230 nan 0.000 0.433 93 G N -1.776 107.015 108.800 -0.015 0.000 2.744 93 G HA2 0.258 4.221 3.960 0.004 0.000 0.211 93 G HA3 0.258 4.221 3.960 0.004 0.000 0.211 93 G C 0.728 175.584 174.900 -0.074 0.000 1.146 93 G CA 0.328 45.374 45.100 -0.089 0.000 0.787 93 G HN 0.629 nan 8.290 nan 0.000 0.534 94 A N -0.741 122.043 122.820 -0.059 0.000 2.507 94 A HA 0.496 4.819 4.320 0.004 0.000 0.235 94 A C -0.031 177.549 177.584 -0.007 0.000 1.070 94 A CA 0.275 52.289 52.037 -0.038 0.000 0.768 94 A CB 0.136 19.115 19.000 -0.034 0.000 1.011 94 A HN 0.352 nan 8.150 nan 0.000 0.502 95 c N 0.066 118.667 118.600 0.002 0.000 3.291 95 c HA 0.585 5.157 4.570 0.004 0.000 0.316 95 c C 1.153 175.264 174.090 0.035 0.000 1.391 95 c CA -0.083 56.261 56.329 0.025 0.000 1.394 95 c CB 0.939 43.459 42.510 0.017 0.000 1.744 95 c HN 1.286 nan 8.230 nan 0.000 0.461 96 N N 0.341 119.073 118.700 0.054 0.000 1.194 96 N HA -0.269 4.473 4.740 0.004 0.000 0.131 96 N C 0.130 175.679 175.510 0.065 0.000 0.688 96 N CA 2.157 55.243 53.050 0.059 0.000 0.927 96 N CB -0.761 37.748 38.487 0.038 0.000 1.224 96 N HN 0.877 nan 8.380 nan 0.000 0.529 97 D N -0.509 119.918 120.400 0.045 0.000 2.194 97 D HA 0.011 4.654 4.640 0.004 0.000 0.204 97 D C 1.716 178.026 176.300 0.017 0.000 0.964 97 D CA 1.667 55.690 54.000 0.038 0.000 0.846 97 D CB -0.556 40.265 40.800 0.034 0.000 0.962 97 D HN 0.438 nan 8.370 nan 0.000 0.490 98 T N 1.256 115.816 114.554 0.009 0.000 2.684 98 T HA -0.178 4.174 4.350 0.004 0.000 0.267 98 T C 1.945 176.634 174.700 -0.017 0.000 1.036 98 T CA 0.809 62.903 62.100 -0.009 0.000 1.148 98 T CB -0.408 68.449 68.868 -0.019 0.000 0.863 98 T HN 0.072 nan 8.240 nan 0.000 0.436 99 L N 0.949 122.165 121.223 -0.012 0.000 2.046 99 L HA -0.066 4.276 4.340 0.004 0.000 0.208 99 L C 2.635 179.426 176.870 -0.133 0.000 1.077 99 L CA 1.854 56.675 54.840 -0.031 0.000 0.747 99 L CB -0.734 41.336 42.059 0.020 0.000 0.896 99 L HN 0.253 nan 8.230 nan 0.000 0.432 100 Q N -0.850 118.877 119.800 -0.122 0.000 2.030 100 Q HA -0.287 4.056 4.340 0.004 0.000 0.204 100 Q C 2.212 178.099 176.000 -0.188 0.000 0.986 100 Q CA 2.372 58.028 55.803 -0.246 0.000 0.843 100 Q CB -0.199 28.547 28.738 0.014 0.000 0.904 100 Q HN 0.681 nan 8.270 nan 0.000 0.420 101 Q N 0.096 119.854 119.800 -0.071 0.000 2.135 101 Q HA -0.165 4.177 4.340 0.004 0.000 0.204 101 Q C 2.264 178.245 176.000 -0.032 0.000 0.981 101 Q CA 1.354 57.133 55.803 -0.040 0.000 0.856 101 Q CB -0.138 28.598 28.738 -0.003 0.000 0.902 101 Q HN 0.418 nan 8.270 nan 0.000 0.425 102 L N -0.225 120.996 121.223 -0.004 0.000 1.976 102 L HA -0.232 4.110 4.340 0.004 0.000 0.209 102 L C 2.405 179.329 176.870 0.091 0.000 1.071 102 L CA 0.873 55.770 54.840 0.095 0.000 0.746 102 L CB -0.269 41.834 42.059 0.074 0.000 0.890 102 L HN 0.357 nan 8.230 nan 0.000 0.432 103 M N -0.505 119.084 119.600 -0.019 0.000 2.073 103 M HA -0.273 4.209 4.480 0.004 0.000 0.258 103 M C 2.115 178.371 176.300 -0.074 0.000 1.070 103 M CA 1.768 57.056 55.300 -0.020 0.000 1.103 103 M CB -1.190 31.159 32.600 -0.418 0.000 1.321 103 M HN 0.224 nan 8.290 nan 0.000 0.405 104 E N -0.617 119.508 120.200 -0.124 0.000 2.031 104 E HA -0.142 4.210 4.350 0.004 0.000 0.193 104 E C 2.108 178.636 176.600 -0.120 0.000 0.994 104 E CA 1.398 57.748 56.400 -0.083 0.000 0.800 104 E CB -0.108 29.558 29.700 -0.056 0.000 0.752 104 E HN 0.222 nan 8.360 nan 0.000 0.447 105 V N 0.581 120.397 119.914 -0.164 0.000 2.252 105 V HA -0.257 3.865 4.120 0.004 0.000 0.249 105 V C 1.757 177.553 176.094 -0.497 0.000 1.056 105 V CA 1.768 63.882 62.300 -0.309 0.000 1.022 105 V CB -0.495 31.083 31.823 -0.407 0.000 0.641 105 V HN 0.246 nan 8.190 nan 0.000 0.445 106 F N 0.324 119.937 119.950 -0.562 0.000 2.816 106 F HA 0.150 4.679 4.527 0.004 0.000 0.302 106 F C 1.259 176.571 175.800 -0.813 0.000 1.178 106 F CA 0.127 57.501 58.000 -1.043 0.000 1.421 106 F CB -0.235 37.709 39.000 -1.761 0.000 1.114 106 F HN 0.056 nan 8.300 nan 0.000 0.573 107 K N -1.560 118.678 120.400 -0.270 0.000 3.209 107 K HA -0.239 4.083 4.320 0.004 0.000 0.289 107 K C 0.479 177.110 176.600 0.053 0.000 1.191 107 K CA 0.566 56.811 56.287 -0.069 0.000 0.851 107 K CB -2.783 29.729 32.500 0.020 0.000 1.242 107 K HN 0.291 nan 8.250 nan 0.000 0.480 108 F N 1.108 121.113 119.950 0.092 0.000 2.615 108 F HA -0.026 4.503 4.527 0.004 0.000 0.297 108 F C 2.054 177.911 175.800 0.094 0.000 1.124 108 F CA 0.988 59.045 58.000 0.095 0.000 1.451 108 F CB -0.420 38.637 39.000 0.095 0.000 1.103 108 F HN 0.180 nan 8.300 nan 0.000 0.569 109 D N -0.688 119.865 120.400 0.256 0.000 2.263 109 D HA -0.166 4.477 4.640 0.004 0.000 0.208 109 D C 1.786 178.209 176.300 0.205 0.000 0.971 109 D CA 1.634 55.791 54.000 0.262 0.000 0.867 109 D CB -1.443 39.508 40.800 0.253 0.000 0.929 109 D HN 0.322 nan 8.370 nan 0.000 0.492 110 T N -0.511 114.131 114.554 0.146 0.000 2.904 110 T HA -0.035 4.317 4.350 0.004 0.000 0.267 110 T C 1.617 176.363 174.700 0.077 0.000 1.059 110 T CA 0.574 62.730 62.100 0.093 0.000 1.137 110 T CB -0.870 68.031 68.868 0.056 0.000 0.879 110 T HN 0.515 nan 8.240 nan 0.000 0.467 111 I N 1.848 122.474 120.570 0.093 0.000 3.543 111 I HA 0.273 4.445 4.170 0.004 0.000 0.262 111 I C 0.856 177.010 176.117 0.062 0.000 1.301 111 I CA -0.849 60.487 61.300 0.060 0.000 1.242 111 I CB 0.108 38.144 38.000 0.060 0.000 1.402 111 I HN 0.278 nan 8.210 nan 0.000 0.671 112 S N 1.179 116.901 115.700 0.037 0.000 2.641 112 S HA 0.175 4.647 4.470 0.004 0.000 0.261 112 S C 0.844 175.477 174.600 0.055 0.000 1.257 112 S CA -0.442 57.780 58.200 0.037 0.000 0.983 112 S CB 1.016 64.227 63.200 0.017 0.000 0.990 112 S HN 0.761 nan 8.310 nan 0.000 0.572 113 E N 0.870 121.099 120.200 0.048 0.000 2.015 113 E HA -0.123 4.230 4.350 0.004 0.000 0.191 113 E C 1.933 178.577 176.600 0.073 0.000 0.991 113 E CA 0.818 57.252 56.400 0.057 0.000 0.802 113 E CB -0.463 29.262 29.700 0.040 0.000 0.759 113 E HN 0.650 nan 8.360 nan 0.000 0.447 114 K N 0.645 121.086 120.400 0.070 0.000 2.063 114 K HA -0.115 4.207 4.320 0.004 0.000 0.208 114 K C 2.073 178.777 176.600 0.173 0.000 1.048 114 K CA 1.609 57.959 56.287 0.105 0.000 0.928 114 K CB -0.124 32.433 32.500 0.095 0.000 0.713 114 K HN 0.084 nan 8.250 nan 0.000 0.442 115 T N -0.089 114.536 114.554 0.118 0.000 2.951 115 T HA -0.072 4.281 4.350 0.004 0.000 0.268 115 T C 1.866 176.659 174.700 0.154 0.000 1.073 115 T CA 1.174 63.364 62.100 0.152 0.000 1.134 115 T CB -0.070 68.763 68.868 -0.058 0.000 0.884 115 T HN 0.178 nan 8.240 nan 0.000 0.479 116 S N 0.823 116.593 115.700 0.117 0.000 2.406 116 S HA -0.117 4.356 4.470 0.004 0.000 0.228 116 S C 1.603 176.276 174.600 0.122 0.000 1.020 116 S CA 0.956 59.226 58.200 0.116 0.000 0.965 116 S CB -0.308 62.978 63.200 0.143 0.000 0.798 116 S HN 0.406 nan 8.310 nan 0.000 0.488 117 D N 0.861 121.339 120.400 0.130 0.000 2.149 117 D HA 0.024 4.666 4.640 0.004 0.000 0.206 117 D C 1.323 177.708 176.300 0.143 0.000 0.967 117 D CA 0.782 54.862 54.000 0.133 0.000 0.848 117 D CB -0.317 40.547 40.800 0.107 0.000 0.998 117 D HN 0.450 nan 8.370 nan 0.000 0.474 118 Q N 0.545 120.402 119.800 0.096 0.000 2.217 118 Q HA 0.176 4.518 4.340 0.004 0.000 0.226 118 Q C 1.753 177.683 176.000 -0.117 0.000 0.875 118 Q CA -0.252 55.473 55.803 -0.131 0.000 0.974 118 Q CB 0.735 29.356 28.738 -0.196 0.000 1.079 118 Q HN 0.354 nan 8.270 nan 0.000 0.463 119 I N 0.979 121.585 120.570 0.059 0.000 2.248 119 I HA -0.374 3.799 4.170 0.004 0.000 0.248 119 I C 2.196 178.404 176.117 0.151 0.000 1.107 119 I CA 1.829 63.202 61.300 0.122 0.000 1.373 119 I CB 0.157 38.150 38.000 -0.012 0.000 1.055 119 I HN 0.373 nan 8.210 nan 0.000 0.418 120 H N -1.788 117.315 119.070 0.054 0.000 2.495 120 H HA -0.136 4.423 4.556 0.004 0.000 0.287 120 H C 1.885 177.234 175.328 0.035 0.000 1.033 120 H CA 1.428 57.474 56.048 -0.003 0.000 1.307 120 H CB -0.786 28.915 29.762 -0.102 0.000 1.401 120 H HN 0.446 nan 8.280 nan 0.000 0.555 121 F N 0.875 120.452 119.950 -0.621 0.000 2.270 121 F HA 0.061 4.590 4.527 0.004 0.000 0.295 121 F C 1.203 176.732 175.800 -0.450 0.000 1.087 121 F CA 0.391 58.059 58.000 -0.553 0.000 1.365 121 F CB -0.224 38.279 39.000 -0.829 0.000 1.056 121 F HN 0.054 nan 8.300 nan 0.000 0.506 122 F N -0.686 119.169 119.950 -0.158 0.000 2.325 122 F HA -0.052 4.477 4.527 0.004 0.000 0.299 122 F C 2.061 177.720 175.800 -0.235 0.000 1.090 122 F CA 0.941 58.815 58.000 -0.211 0.000 1.392 122 F CB -1.301 37.642 39.000 -0.096 0.000 1.053 122 F HN -0.054 nan 8.300 nan 0.000 0.521 123 F N 0.209 120.123 119.950 -0.060 0.000 2.134 123 F HA -0.171 4.358 4.527 0.004 0.000 0.299 123 F C 2.496 178.244 175.800 -0.088 0.000 1.097 123 F CA 1.219 59.192 58.000 -0.046 0.000 1.264 123 F CB -0.937 38.038 39.000 -0.042 0.000 1.001 123 F HN -0.052 nan 8.300 nan 0.000 0.479 124 A N 0.461 123.269 122.820 -0.020 0.000 1.851 124 A HA -0.265 4.058 4.320 0.004 0.000 0.216 124 A C 2.360 179.835 177.584 -0.183 0.000 1.195 124 A CA 2.985 54.947 52.037 -0.125 0.000 0.622 124 A CB -1.451 17.401 19.000 -0.247 0.000 0.831 124 A HN 0.304 nan 8.150 nan 0.000 0.444 125 K N -0.507 119.685 120.400 -0.346 0.000 2.020 125 K HA -0.118 4.204 4.320 0.004 0.000 0.212 125 K C 2.070 178.631 176.600 -0.064 0.000 1.050 125 K CA 1.987 58.149 56.287 -0.208 0.000 0.929 125 K CB -1.453 30.945 32.500 -0.170 0.000 0.714 125 K HN 0.644 nan 8.250 nan 0.000 0.443 126 L N 1.471 122.662 121.223 -0.053 0.000 2.046 126 L HA -0.134 4.209 4.340 0.004 0.000 0.208 126 L C 1.871 178.746 176.870 0.009 0.000 1.077 126 L CA 2.158 56.977 54.840 -0.035 0.000 0.747 126 L CB -0.522 41.465 42.059 -0.121 0.000 0.896 126 L HN 0.449 nan 8.230 nan 0.000 0.432 127 N N -1.127 117.593 118.700 0.034 0.000 2.244 127 N HA -0.176 4.566 4.740 0.004 0.000 0.183 127 N C 1.980 177.539 175.510 0.082 0.000 1.016 127 N CA 1.376 54.471 53.050 0.074 0.000 0.866 127 N CB -0.755 37.793 38.487 0.101 0.000 0.980 127 N HN 0.506 nan 8.380 nan 0.000 0.430 128 c N 1.420 120.049 118.600 0.050 0.000 2.453 128 c HA -0.041 4.532 4.570 0.004 0.000 0.277 128 c C 2.900 177.043 174.090 0.087 0.000 1.262 128 c CA 0.913 57.285 56.329 0.071 0.000 1.718 128 c CB -0.759 41.765 42.510 0.022 0.000 2.031 128 c HN 0.519 nan 8.230 nan 0.000 0.480 129 R N 0.708 121.241 120.500 0.056 0.000 2.080 129 R HA -0.115 4.227 4.340 0.004 0.000 0.236 129 R C 2.099 178.442 176.300 0.071 0.000 1.137 129 R CA 2.268 58.400 56.100 0.054 0.000 0.943 129 R CB -0.785 29.541 30.300 0.043 0.000 0.846 129 R HN 0.512 nan 8.270 nan 0.000 0.431 130 L N -0.426 120.850 121.223 0.087 0.000 2.042 130 L HA -0.184 4.159 4.340 0.004 0.000 0.210 130 L C 2.696 179.654 176.870 0.146 0.000 1.076 130 L CA 1.562 56.465 54.840 0.105 0.000 0.749 130 L CB -0.922 41.194 42.059 0.095 0.000 0.893 130 L HN 0.217 nan 8.230 nan 0.000 0.432 131 Y N 1.461 121.789 120.300 0.047 0.000 2.114 131 Y HA -0.291 4.261 4.550 0.004 0.000 0.282 131 Y C 2.793 178.728 175.900 0.057 0.000 1.165 131 Y CA 1.565 59.698 58.100 0.055 0.000 1.148 131 Y CB -0.301 38.185 38.460 0.042 0.000 0.972 131 Y HN 0.027 nan 8.280 nan 0.000 0.504 132 R N 0.190 120.617 120.500 -0.122 0.000 2.082 132 R HA -0.171 4.171 4.340 0.004 0.000 0.234 132 R C 2.306 178.526 176.300 -0.132 0.000 1.136 132 R CA 2.051 58.045 56.100 -0.177 0.000 0.935 132 R CB -0.382 29.884 30.300 -0.057 0.000 0.842 132 R HN 0.300 nan 8.270 nan 0.000 0.430 133 K N 0.668 121.048 120.400 -0.035 0.000 2.032 133 K HA -0.119 4.204 4.320 0.004 0.000 0.209 133 K C 2.325 178.943 176.600 0.031 0.000 1.048 133 K CA 1.387 57.682 56.287 0.013 0.000 0.927 133 K CB -0.343 32.191 32.500 0.056 0.000 0.712 133 K HN 0.167 nan 8.250 nan 0.000 0.441 134 A N 2.498 125.353 122.820 0.059 0.000 1.848 134 A HA -0.315 4.007 4.320 0.004 0.000 0.217 134 A C 2.030 179.660 177.584 0.076 0.000 1.220 134 A CA 2.283 54.406 52.037 0.143 0.000 0.645 134 A CB -1.145 18.000 19.000 0.242 0.000 0.842 134 A HN 0.336 nan 8.150 nan 0.000 0.451 135 N N -0.092 118.572 118.700 -0.059 0.000 2.182 135 N HA -0.273 4.469 4.740 0.004 0.000 0.192 135 N C 1.715 177.171 175.510 -0.090 0.000 1.007 135 N CA 2.767 55.748 53.050 -0.116 0.000 0.873 135 N CB -0.669 37.604 38.487 -0.356 0.000 0.998 135 N HN 0.644 nan 8.380 nan 0.000 0.436 136 K N -0.799 119.559 120.400 -0.071 0.000 2.248 136 K HA -0.321 4.001 4.320 0.004 0.000 0.216 136 K C 2.031 178.609 176.600 -0.035 0.000 0.902 136 K CA 3.081 59.346 56.287 -0.037 0.000 0.975 136 K CB -1.724 30.781 32.500 0.008 0.000 1.016 136 K HN 0.652 nan 8.250 nan 0.000 0.508 137 S N -2.499 113.176 115.700 -0.041 0.000 2.733 137 S HA 0.342 4.814 4.470 0.004 0.000 0.270 137 S C 0.473 174.990 174.600 -0.139 0.000 1.062 137 S CA 0.151 58.316 58.200 -0.059 0.000 1.256 137 S CB 0.507 63.695 63.200 -0.020 0.000 1.187 137 S HN 0.443 nan 8.310 nan 0.000 0.666 138 S N 2.506 118.090 115.700 -0.194 0.000 2.585 138 S HA 0.462 4.935 4.470 0.004 0.000 0.277 138 S C -0.190 174.200 174.600 -0.350 0.000 1.241 138 S CA -0.564 57.374 58.200 -0.438 0.000 1.041 138 S CB 0.743 63.603 63.200 -0.566 0.000 0.987 138 S HN 0.084 nan 8.310 nan 0.000 0.512 139 K N 2.312 122.415 120.400 -0.495 0.000 2.310 139 K HA 0.287 4.610 4.320 0.004 0.000 0.290 139 K C -1.174 175.394 176.600 -0.052 0.000 1.077 139 K CA -0.321 55.842 56.287 -0.206 0.000 0.922 139 K CB 0.353 32.803 32.500 -0.083 0.000 1.057 139 K HN 0.375 nan 8.250 nan 0.000 0.479 140 L N 5.567 126.914 121.223 0.206 0.000 2.401 140 L HA 0.262 4.604 4.340 0.004 0.000 0.263 140 L C -1.160 175.919 176.870 0.348 0.000 1.004 140 L CA -0.770 54.326 54.840 0.426 0.000 0.881 140 L CB 1.351 43.761 42.059 0.585 0.000 1.219 140 L HN 0.209 nan 8.230 nan 0.000 0.441 141 V N 1.380 121.469 119.914 0.292 0.000 2.350 141 V HA 0.677 4.799 4.120 0.004 0.000 0.285 141 V C 0.302 176.459 176.094 0.105 0.000 1.014 141 V CA -0.475 61.913 62.300 0.147 0.000 0.831 141 V CB 0.995 32.872 31.823 0.089 0.000 1.000 141 V HN 0.650 nan 8.190 nan 0.000 0.433 142 S N 3.121 118.809 115.700 -0.019 0.000 2.549 142 S HA 0.878 5.351 4.470 0.004 0.000 0.297 142 S C 0.057 174.583 174.600 -0.123 0.000 1.115 142 S CA 0.021 58.195 58.200 -0.044 0.000 1.059 142 S CB 1.568 64.694 63.200 -0.122 0.000 1.046 142 S HN 1.467 nan 8.310 nan 0.000 0.506 143 A N 4.353 127.115 122.820 -0.097 0.000 2.768 143 A HA 0.527 4.849 4.320 0.004 0.000 0.299 143 A C -0.857 176.757 177.584 0.050 0.000 1.171 143 A CA -0.934 50.994 52.037 -0.181 0.000 0.759 143 A CB 0.322 19.130 19.000 -0.321 0.000 1.267 143 A HN 0.805 nan 8.150 nan 0.000 0.421 144 N N 2.100 120.871 118.700 0.117 0.000 2.310 144 N HA 0.718 5.460 4.740 0.004 0.000 0.292 144 N C -0.809 174.760 175.510 0.098 0.000 1.049 144 N CA -0.652 52.490 53.050 0.153 0.000 0.849 144 N CB 2.582 41.093 38.487 0.040 0.000 1.532 144 N HN 0.623 nan 8.380 nan 0.000 0.479 145 R N 0.878 121.408 120.500 0.050 0.000 2.716 145 R HA 0.479 4.822 4.340 0.004 0.000 0.271 145 R C -1.812 174.212 176.300 -0.459 0.000 1.028 145 R CA -0.668 55.256 56.100 -0.295 0.000 0.883 145 R CB 1.453 31.182 30.300 -0.951 0.000 1.250 145 R HN 0.437 nan 8.270 nan 0.000 0.465 146 L N 2.208 123.112 121.223 -0.531 0.000 2.317 146 L HA 0.552 4.894 4.340 0.004 0.000 0.281 146 L C -1.150 175.305 176.870 -0.692 0.000 1.024 146 L CA -0.022 54.542 54.840 -0.460 0.000 0.810 146 L CB 1.363 43.242 42.059 -0.300 0.000 1.240 146 L HN 0.413 nan 8.230 nan 0.000 0.427 147 F N 1.004 120.905 119.950 -0.081 0.000 2.495 147 F HA 0.799 5.329 4.527 0.004 0.000 0.327 147 F C 0.699 176.540 175.800 0.068 0.000 1.103 147 F CA -0.743 57.236 58.000 -0.034 0.000 0.949 147 F CB 2.094 41.140 39.000 0.076 0.000 1.142 147 F HN 0.440 nan 8.300 nan 0.000 0.457 148 G N 1.103 110.028 108.800 0.207 0.000 2.642 148 G HA2 0.278 4.241 3.960 0.004 0.000 0.293 148 G HA3 0.278 4.241 3.960 0.004 0.000 0.293 148 G C -1.622 173.478 174.900 0.333 0.000 1.341 148 G CA -0.717 44.577 45.100 0.323 0.000 0.916 148 G HN 0.502 nan 8.290 nan 0.000 0.474 149 D N -0.343 120.284 120.400 0.379 0.000 2.419 149 D HA 0.014 4.657 4.640 0.004 0.000 0.236 149 D C 1.027 177.370 176.300 0.073 0.000 1.165 149 D CA 0.112 54.169 54.000 0.096 0.000 0.882 149 D CB 1.150 42.056 40.800 0.177 0.000 1.201 149 D HN 0.348 nan 8.370 nan 0.000 0.443 150 K N 0.614 120.978 120.400 -0.061 0.000 2.103 150 K HA -0.123 4.200 4.320 0.004 0.000 0.204 150 K C 2.009 178.581 176.600 -0.046 0.000 1.052 150 K CA 0.814 57.082 56.287 -0.032 0.000 0.945 150 K CB -0.117 32.340 32.500 -0.071 0.000 0.722 150 K HN 0.433 nan 8.250 nan 0.000 0.443 151 S N 0.532 116.202 115.700 -0.049 0.000 2.465 151 S HA -0.097 4.375 4.470 0.004 0.000 0.241 151 S C 0.950 175.482 174.600 -0.113 0.000 1.000 151 S CA 0.502 58.667 58.200 -0.058 0.000 0.964 151 S CB -0.304 62.883 63.200 -0.022 0.000 0.763 151 S HN 0.117 nan 8.310 nan 0.000 0.512 152 L N 0.401 121.498 121.223 -0.209 0.000 2.365 152 L HA 0.496 4.838 4.340 0.004 0.000 0.267 152 L C -0.275 176.251 176.870 -0.574 0.000 1.033 152 L CA -0.787 53.822 54.840 -0.385 0.000 0.802 152 L CB 1.564 43.345 42.059 -0.463 0.000 1.267 152 L HN -0.028 nan 8.230 nan 0.000 0.457 153 T N 1.188 115.415 114.554 -0.545 0.000 2.842 153 T HA 0.464 4.816 4.350 0.004 0.000 0.308 153 T C -0.499 173.931 174.700 -0.450 0.000 1.041 153 T CA -0.341 61.511 62.100 -0.413 0.000 0.964 153 T CB 0.059 68.813 68.868 -0.190 0.000 0.972 153 T HN 0.079 nan 8.240 nan 0.000 0.460 154 F N 3.008 122.941 119.950 -0.028 0.000 2.456 154 F HA 0.261 4.791 4.527 0.004 0.000 0.358 154 F C 1.285 177.073 175.800 -0.019 0.000 1.095 154 F CA -1.242 56.735 58.000 -0.038 0.000 1.216 154 F CB 0.361 39.341 39.000 -0.034 0.000 1.125 154 F HN 0.409 nan 8.300 nan 0.000 0.549 155 N N 2.736 121.519 118.700 0.138 0.000 2.365 155 N HA -0.143 4.599 4.740 0.004 0.000 0.265 155 N C 1.032 176.632 175.510 0.149 0.000 1.288 155 N CA 0.292 53.400 53.050 0.098 0.000 0.869 155 N CB 0.597 39.121 38.487 0.062 0.000 1.071 155 N HN 0.742 nan 8.380 nan 0.000 0.480 156 E N 2.838 123.100 120.200 0.103 0.000 2.150 156 E HA -0.090 4.263 4.350 0.004 0.000 0.193 156 E C 1.128 177.771 176.600 0.071 0.000 0.985 156 E CA 1.455 57.908 56.400 0.088 0.000 0.814 156 E CB -0.047 29.685 29.700 0.054 0.000 0.752 156 E HN 0.718 nan 8.360 nan 0.000 0.466 157 T N -0.241 114.352 114.554 0.065 0.000 2.708 157 T HA -0.191 4.162 4.350 0.004 0.000 0.266 157 T C 1.311 176.029 174.700 0.030 0.000 1.037 157 T CA 1.446 63.568 62.100 0.037 0.000 1.146 157 T CB -0.631 68.254 68.868 0.027 0.000 0.865 157 T HN 0.337 nan 8.240 nan 0.000 0.435 158 Y N 2.212 122.483 120.300 -0.048 0.000 2.069 158 Y HA -0.272 4.281 4.550 0.004 0.000 0.278 158 Y C 2.675 178.528 175.900 -0.079 0.000 1.175 158 Y CA 1.706 59.757 58.100 -0.082 0.000 1.134 158 Y CB -0.443 37.973 38.460 -0.073 0.000 0.965 158 Y HN 0.146 nan 8.280 nan 0.000 0.498 159 Q N 0.149 119.997 119.800 0.080 0.000 2.077 159 Q HA -0.235 4.107 4.340 0.004 0.000 0.206 159 Q C 1.853 177.802 176.000 -0.085 0.000 0.989 159 Q CA 1.994 57.792 55.803 -0.007 0.000 0.853 159 Q CB -0.596 28.180 28.738 0.063 0.000 0.907 159 Q HN 0.610 nan 8.270 nan 0.000 0.418 160 D N 0.480 120.845 120.400 -0.057 0.000 2.097 160 D HA -0.099 4.543 4.640 0.004 0.000 0.195 160 D C 2.127 178.376 176.300 -0.085 0.000 0.989 160 D CA 0.784 54.752 54.000 -0.054 0.000 0.827 160 D CB -0.373 40.411 40.800 -0.026 0.000 0.966 160 D HN 0.242 nan 8.370 nan 0.000 0.456 161 I N 0.563 121.055 120.570 -0.131 0.000 2.118 161 I HA -0.297 3.875 4.170 0.004 0.000 0.241 161 I C 2.557 178.567 176.117 -0.179 0.000 1.070 161 I CA 0.995 62.209 61.300 -0.143 0.000 1.327 161 I CB -0.384 37.479 38.000 -0.229 0.000 1.034 161 I HN -0.059 nan 8.210 nan 0.000 0.405 162 S N 0.122 115.616 115.700 -0.342 0.000 2.374 162 S HA -0.300 4.173 4.470 0.004 0.000 0.227 162 S C 1.988 176.531 174.600 -0.096 0.000 1.037 162 S CA 2.148 60.171 58.200 -0.294 0.000 1.024 162 S CB -0.283 62.647 63.200 -0.449 0.000 0.861 162 S HN 0.491 nan 8.310 nan 0.000 0.456 163 E N -0.333 119.815 120.200 -0.086 0.000 2.110 163 E HA -0.127 4.225 4.350 0.004 0.000 0.193 163 E C 1.950 178.540 176.600 -0.018 0.000 0.988 163 E CA 0.945 57.320 56.400 -0.041 0.000 0.804 163 E CB -0.180 29.497 29.700 -0.038 0.000 0.745 163 E HN 0.341 nan 8.360 nan 0.000 0.458 164 L N -0.058 121.157 121.223 -0.014 0.000 1.993 164 L HA -0.065 4.277 4.340 0.004 0.000 0.206 164 L C 2.374 179.258 176.870 0.024 0.000 1.074 164 L CA 1.280 56.126 54.840 0.011 0.000 0.746 164 L CB -0.855 41.218 42.059 0.023 0.000 0.896 164 L HN 0.093 nan 8.230 nan 0.000 0.435 165 V N -1.655 118.282 119.914 0.039 0.000 2.515 165 V HA -0.268 3.854 4.120 0.004 0.000 0.250 165 V C 1.715 177.869 176.094 0.100 0.000 1.058 165 V CA 1.599 63.934 62.300 0.059 0.000 1.064 165 V CB -0.333 31.549 31.823 0.098 0.000 0.675 165 V HN 0.615 nan 8.190 nan 0.000 0.461 166 Y N -0.695 119.557 120.300 -0.081 0.000 2.500 166 Y HA 0.463 5.016 4.550 0.004 0.000 0.246 166 Y C 1.465 177.326 175.900 -0.065 0.000 1.146 166 Y CA 0.327 58.375 58.100 -0.087 0.000 1.230 166 Y CB 1.087 39.467 38.460 -0.133 0.000 1.214 166 Y HN 0.213 nan 8.280 nan 0.000 0.526 167 G N 0.527 109.292 108.800 -0.059 0.000 2.397 167 G HA2 -0.019 3.943 3.960 0.004 0.000 0.211 167 G HA3 -0.019 3.943 3.960 0.004 0.000 0.211 167 G C 0.186 175.057 174.900 -0.049 0.000 1.077 167 G CA -0.205 44.839 45.100 -0.092 0.000 0.649 167 G HN 0.946 nan 8.290 nan 0.000 0.511 168 A N -0.144 122.646 122.820 -0.050 0.000 2.587 168 A HA 0.775 5.097 4.320 0.004 0.000 0.293 168 A C -0.331 177.213 177.584 -0.065 0.000 1.087 168 A CA 0.176 52.186 52.037 -0.045 0.000 0.692 168 A CB 1.100 20.076 19.000 -0.041 0.000 1.291 168 A HN 0.925 nan 8.150 nan 0.000 0.407 169 K N 0.905 121.252 120.400 -0.088 0.000 2.090 169 K HA 0.643 4.965 4.320 0.004 0.000 0.250 169 K C -0.181 176.313 176.600 -0.176 0.000 1.004 169 K CA -0.660 55.562 56.287 -0.108 0.000 0.919 169 K CB 1.041 33.496 32.500 -0.076 0.000 1.045 169 K HN 0.577 nan 8.250 nan 0.000 0.471 170 L N 1.832 122.937 121.223 -0.197 0.000 2.601 170 L HA -0.090 4.252 4.340 0.004 0.000 0.277 170 L C -0.166 176.521 176.870 -0.306 0.000 1.219 170 L CA 0.368 55.008 54.840 -0.334 0.000 0.915 170 L CB 0.410 42.175 42.059 -0.489 0.000 1.160 170 L HN 0.549 nan 8.230 nan 0.000 0.494 171 Q N 7.103 126.715 119.800 -0.314 0.000 2.360 171 Q HA 0.393 4.735 4.340 0.004 0.000 0.254 171 Q C -2.373 173.635 176.000 0.014 0.000 0.975 171 Q CA -2.133 53.597 55.803 -0.121 0.000 0.912 171 Q CB 1.368 30.066 28.738 -0.068 0.000 1.212 171 Q HN 0.344 nan 8.270 nan 0.000 0.452 172 P HA 0.249 nan 4.420 nan 0.000 0.271 172 P C -0.676 176.596 177.300 -0.046 0.000 1.216 172 P CA 0.043 63.186 63.100 0.071 0.000 0.771 172 P CB 0.747 32.546 31.700 0.165 0.000 0.864 173 L N 1.589 122.689 121.223 -0.205 0.000 2.506 173 L HA 0.338 4.681 4.340 0.004 0.000 0.257 173 L C -0.450 176.046 176.870 -0.622 0.000 0.964 173 L CA -0.912 53.694 54.840 -0.390 0.000 0.836 173 L CB 2.612 44.373 42.059 -0.496 0.000 1.384 173 L HN 0.205 nan 8.230 nan 0.000 0.410 174 D N 0.699 120.847 120.400 -0.419 0.000 2.352 174 D HA 0.240 4.883 4.640 0.004 0.000 0.245 174 D C 0.160 176.283 176.300 -0.294 0.000 1.224 174 D CA 0.197 54.011 54.000 -0.311 0.000 0.879 174 D CB 0.597 41.316 40.800 -0.135 0.000 1.057 174 D HN 0.213 nan 8.370 nan 0.000 0.491 175 F N 2.474 122.437 119.950 0.021 0.000 2.505 175 F HA 0.202 4.731 4.527 0.004 0.000 0.289 175 F C 2.167 177.982 175.800 0.024 0.000 1.101 175 F CA -0.012 58.001 58.000 0.021 0.000 1.446 175 F CB -0.240 38.781 39.000 0.035 0.000 1.123 175 F HN 0.296 nan 8.300 nan 0.000 0.564 176 K N 0.411 120.921 120.400 0.183 0.000 2.001 176 K HA -0.183 4.140 4.320 0.004 0.000 0.214 176 K C 1.768 178.415 176.600 0.079 0.000 1.050 176 K CA 1.943 58.299 56.287 0.115 0.000 0.934 176 K CB -0.132 32.412 32.500 0.074 0.000 0.718 176 K HN 0.240 nan 8.250 nan 0.000 0.443 177 E N 0.030 120.259 120.200 0.049 0.000 2.121 177 E HA -0.005 4.347 4.350 0.004 0.000 0.194 177 E C 0.821 177.441 176.600 0.033 0.000 0.940 177 E CA 0.512 56.932 56.400 0.033 0.000 0.884 177 E CB -0.329 29.380 29.700 0.014 0.000 0.874 177 E HN 0.242 nan 8.360 nan 0.000 0.471 178 N N 1.559 120.269 118.700 0.017 0.000 2.484 178 N HA 0.168 4.910 4.740 0.004 0.000 0.245 178 N C 0.865 176.395 175.510 0.034 0.000 1.184 178 N CA 0.175 53.232 53.050 0.011 0.000 0.884 178 N CB 0.345 38.821 38.487 -0.018 0.000 1.182 178 N HN 0.157 nan 8.380 nan 0.000 0.493 179 A N 1.287 124.156 122.820 0.082 0.000 1.970 179 A HA -0.347 3.976 4.320 0.004 0.000 0.227 179 A C 2.008 179.656 177.584 0.108 0.000 1.568 179 A CA 1.760 53.881 52.037 0.139 0.000 0.813 179 A CB -0.755 18.316 19.000 0.118 0.000 0.833 179 A HN 0.502 nan 8.150 nan 0.000 0.492 180 E N -1.130 119.105 120.200 0.058 0.000 2.118 180 E HA -0.281 4.072 4.350 0.004 0.000 0.195 180 E C 2.682 179.288 176.600 0.010 0.000 0.992 180 E CA 2.051 58.469 56.400 0.030 0.000 0.804 180 E CB -0.353 29.357 29.700 0.016 0.000 0.741 180 E HN 0.749 nan 8.360 nan 0.000 0.458 181 Q N 0.501 120.304 119.800 0.004 0.000 2.045 181 Q HA -0.242 4.101 4.340 0.004 0.000 0.206 181 Q C 2.205 178.184 176.000 -0.035 0.000 0.991 181 Q CA 2.571 58.364 55.803 -0.015 0.000 0.851 181 Q CB -1.254 27.474 28.738 -0.018 0.000 0.911 181 Q HN 0.499 nan 8.270 nan 0.000 0.418 182 S N 0.673 116.348 115.700 -0.040 0.000 2.359 182 S HA -0.205 4.267 4.470 0.004 0.000 0.224 182 S C 2.033 176.584 174.600 -0.082 0.000 1.035 182 S CA 1.093 59.240 58.200 -0.088 0.000 1.018 182 S CB -0.415 62.700 63.200 -0.141 0.000 0.876 182 S HN 0.659 nan 8.310 nan 0.000 0.448 183 R N 2.105 122.605 120.500 -0.001 0.000 2.096 183 R HA -0.084 4.258 4.340 0.004 0.000 0.240 183 R C 2.413 178.665 176.300 -0.081 0.000 1.139 183 R CA 1.794 57.872 56.100 -0.037 0.000 0.952 183 R CB -1.070 29.226 30.300 -0.008 0.000 0.854 183 R HN 0.464 nan 8.270 nan 0.000 0.436 184 A N 0.590 123.378 122.820 -0.053 0.000 1.933 184 A HA -0.089 4.233 4.320 0.004 0.000 0.218 184 A C 2.402 179.959 177.584 -0.046 0.000 1.175 184 A CA 1.853 53.864 52.037 -0.043 0.000 0.628 184 A CB -0.648 18.336 19.000 -0.027 0.000 0.814 184 A HN 0.524 nan 8.150 nan 0.000 0.444 185 A N 0.056 122.836 122.820 -0.067 0.000 1.902 185 A HA -0.084 4.239 4.320 0.004 0.000 0.217 185 A C 2.107 179.650 177.584 -0.068 0.000 1.181 185 A CA 1.480 53.481 52.037 -0.060 0.000 0.623 185 A CB -0.611 18.334 19.000 -0.092 0.000 0.818 185 A HN 0.504 nan 8.150 nan 0.000 0.443 186 I N 0.202 120.643 120.570 -0.214 0.000 2.127 186 I HA -0.316 3.857 4.170 0.004 0.000 0.241 186 I C 2.194 178.323 176.117 0.020 0.000 1.075 186 I CA 1.476 62.605 61.300 -0.285 0.000 1.334 186 I CB -0.560 37.130 38.000 -0.517 0.000 1.040 186 I HN 0.319 nan 8.210 nan 0.000 0.405 187 N N 1.300 119.991 118.700 -0.016 0.000 2.084 187 N HA -0.202 4.541 4.740 0.004 0.000 0.190 187 N C 2.077 177.616 175.510 0.049 0.000 1.030 187 N CA 2.147 55.208 53.050 0.019 0.000 0.849 187 N CB -0.660 37.815 38.487 -0.020 0.000 1.012 187 N HN 0.397 nan 8.380 nan 0.000 0.423 188 K N 0.704 121.131 120.400 0.044 0.000 2.063 188 K HA -0.168 4.154 4.320 0.004 0.000 0.208 188 K C 1.898 178.556 176.600 0.095 0.000 1.048 188 K CA 1.595 57.910 56.287 0.048 0.000 0.928 188 K CB -1.689 30.834 32.500 0.038 0.000 0.713 188 K HN 0.426 nan 8.250 nan 0.000 0.442 189 W N 1.045 122.334 121.300 -0.018 0.000 2.335 189 W HA -0.205 4.458 4.660 0.004 0.000 0.311 189 W C 1.904 178.439 176.519 0.027 0.000 1.213 189 W CA 2.046 59.404 57.345 0.022 0.000 1.274 189 W CB -0.350 29.163 29.460 0.088 0.000 1.148 189 W HN 0.055 nan 8.180 nan 0.000 0.498 190 V N 0.833 120.793 119.914 0.077 0.000 2.287 190 V HA -0.385 3.737 4.120 0.004 0.000 0.248 190 V C 2.389 178.359 176.094 -0.208 0.000 1.053 190 V CA 2.466 64.685 62.300 -0.136 0.000 1.027 190 V CB -1.526 30.345 31.823 0.081 0.000 0.646 190 V HN 0.232 nan 8.190 nan 0.000 0.447 191 S N 0.332 115.963 115.700 -0.115 0.000 2.368 191 S HA -0.261 4.211 4.470 0.004 0.000 0.225 191 S C 1.952 176.449 174.600 -0.171 0.000 1.030 191 S CA 1.765 59.889 58.200 -0.126 0.000 0.999 191 S CB -0.771 62.382 63.200 -0.078 0.000 0.844 191 S HN 0.763 nan 8.310 nan 0.000 0.459 192 N N 1.928 120.522 118.700 -0.178 0.000 2.043 192 N HA -0.245 4.497 4.740 0.004 0.000 0.193 192 N C 1.945 177.300 175.510 -0.258 0.000 1.037 192 N CA 2.137 55.075 53.050 -0.186 0.000 0.851 192 N CB -0.401 37.996 38.487 -0.150 0.000 1.027 192 N HN 0.492 nan 8.380 nan 0.000 0.422 193 K N 0.183 120.332 120.400 -0.419 0.000 2.209 193 K HA -0.090 4.232 4.320 0.004 0.000 0.204 193 K C 1.870 178.295 176.600 -0.293 0.000 1.048 193 K CA 1.899 57.925 56.287 -0.435 0.000 0.940 193 K CB -1.349 30.692 32.500 -0.766 0.000 0.729 193 K HN 0.718 nan 8.250 nan 0.000 0.451 194 T N -2.288 112.113 114.554 -0.254 0.000 3.145 194 T HA 0.326 4.678 4.350 0.004 0.000 0.255 194 T C 0.035 174.601 174.700 -0.223 0.000 1.039 194 T CA 0.480 62.462 62.100 -0.197 0.000 0.928 194 T CB -0.272 68.498 68.868 -0.164 0.000 1.029 194 T HN 0.584 nan 8.240 nan 0.000 0.554 195 E N 0.305 120.383 120.200 -0.204 0.000 2.694 195 E HA -0.156 4.196 4.350 0.004 0.000 0.272 195 E C 0.914 177.384 176.600 -0.217 0.000 1.040 195 E CA 0.491 56.772 56.400 -0.197 0.000 0.809 195 E CB -1.850 27.731 29.700 -0.198 0.000 1.389 195 E HN 0.950 nan 8.360 nan 0.000 0.413 196 G N -0.517 108.163 108.800 -0.199 0.000 2.160 196 G HA2 -0.401 3.562 3.960 0.004 0.000 0.251 196 G HA3 -0.401 3.562 3.960 0.004 0.000 0.251 196 G C 0.680 175.439 174.900 -0.235 0.000 1.008 196 G CA 0.735 45.725 45.100 -0.183 0.000 0.724 196 G HN 0.259 nan 8.290 nan 0.000 0.514 197 R N -0.748 119.567 120.500 -0.309 0.000 2.146 197 R HA 0.435 4.778 4.340 0.004 0.000 0.206 197 R C 0.989 177.122 176.300 -0.278 0.000 1.049 197 R CA 0.707 56.543 56.100 -0.440 0.000 1.029 197 R CB 0.195 30.053 30.300 -0.735 0.000 0.949 197 R HN 0.449 nan 8.270 nan 0.000 0.471 198 I N 1.551 122.035 120.570 -0.143 0.000 2.371 198 I HA 0.199 4.372 4.170 0.004 0.000 0.282 198 I C -0.318 175.787 176.117 -0.020 0.000 1.031 198 I CA -0.196 61.096 61.300 -0.014 0.000 1.180 198 I CB 1.551 39.573 38.000 0.036 0.000 1.336 198 I HN 0.072 nan 8.210 nan 0.000 0.467 199 T N 0.394 114.950 114.554 0.003 0.000 2.949 199 T HA 0.433 4.785 4.350 0.004 0.000 0.287 199 T C 0.089 174.802 174.700 0.023 0.000 1.034 199 T CA -0.550 61.549 62.100 -0.001 0.000 1.018 199 T CB 1.521 70.383 68.868 -0.010 0.000 1.135 199 T HN 0.733 nan 8.240 nan 0.000 0.532 200 D N -0.359 120.046 120.400 0.009 0.000 2.723 200 D HA -0.187 4.456 4.640 0.004 0.000 0.236 200 D C 0.658 176.959 176.300 0.001 0.000 1.138 200 D CA 0.811 54.813 54.000 0.003 0.000 0.676 200 D CB -2.068 38.743 40.800 0.017 0.000 1.069 200 D HN 0.364 nan 8.370 nan 0.000 0.430 201 V N -0.133 119.778 119.914 -0.005 0.000 2.295 201 V HA -0.104 4.018 4.120 0.004 0.000 0.246 201 V C 1.868 177.870 176.094 -0.152 0.000 1.049 201 V CA 1.618 63.913 62.300 -0.008 0.000 1.024 201 V CB -0.306 31.541 31.823 0.040 0.000 0.648 201 V HN 0.504 nan 8.190 nan 0.000 0.447 202 I N 3.155 123.561 120.570 -0.273 0.000 2.306 202 I HA 0.272 4.444 4.170 0.004 0.000 0.288 202 I C -2.056 173.901 176.117 -0.268 0.000 1.036 202 I CA -1.851 59.124 61.300 -0.542 0.000 1.221 202 I CB 1.412 39.074 38.000 -0.565 0.000 1.385 202 I HN 0.188 nan 8.210 nan 0.000 0.472 203 P HA 0.124 nan 4.420 nan 0.000 0.277 203 P C -0.454 176.822 177.300 -0.040 0.000 1.276 203 P CA -0.515 62.551 63.100 -0.057 0.000 0.788 203 P CB 0.470 32.182 31.700 0.021 0.000 1.114 204 S N 1.241 116.938 115.700 -0.005 0.000 2.555 204 S HA 0.016 4.488 4.470 0.004 0.000 0.293 204 S C 0.505 175.115 174.600 0.017 0.000 1.248 204 S CA 0.296 58.498 58.200 0.004 0.000 1.096 204 S CB -0.796 62.410 63.200 0.011 0.000 0.881 204 S HN 0.503 nan 8.310 nan 0.000 0.498 205 E N -0.192 120.016 120.200 0.013 0.000 3.303 205 E HA -0.232 4.120 4.350 0.004 0.000 0.302 205 E C 0.822 177.447 176.600 0.042 0.000 0.902 205 E CA 0.872 57.288 56.400 0.027 0.000 1.042 205 E CB -1.817 27.903 29.700 0.033 0.000 1.528 205 E HN 0.749 nan 8.360 nan 0.000 0.424 206 A N -0.078 122.763 122.820 0.035 0.000 1.975 206 A HA 0.233 4.555 4.320 0.004 0.000 0.215 206 A C 1.200 178.840 177.584 0.093 0.000 1.170 206 A CA 0.687 52.783 52.037 0.099 0.000 0.656 206 A CB 0.359 19.404 19.000 0.074 0.000 0.821 206 A HN 0.204 nan 8.150 nan 0.000 0.449 207 I N 0.355 120.928 120.570 0.005 0.000 2.603 207 I HA 0.353 4.526 4.170 0.004 0.000 0.300 207 I C -0.409 175.695 176.117 -0.022 0.000 1.017 207 I CA -0.849 60.418 61.300 -0.056 0.000 1.098 207 I CB 2.187 40.114 38.000 -0.123 0.000 1.279 207 I HN 0.514 nan 8.210 nan 0.000 0.437 208 N N 2.661 121.342 118.700 -0.031 0.000 3.550 208 N HA 0.166 4.908 4.740 0.004 0.000 0.345 208 N C 0.213 175.761 175.510 0.064 0.000 1.647 208 N CA -0.731 52.337 53.050 0.029 0.000 0.737 208 N CB 0.001 38.508 38.487 0.034 0.000 2.178 208 N HN 0.487 nan 8.380 nan 0.000 0.638 209 E N -0.024 120.225 120.200 0.082 0.000 2.427 209 E HA -0.006 4.347 4.350 0.004 0.000 0.196 209 E C 0.848 177.518 176.600 0.117 0.000 1.028 209 E CA 0.812 57.279 56.400 0.112 0.000 0.864 209 E CB -0.273 29.482 29.700 0.091 0.000 0.813 209 E HN 0.642 nan 8.360 nan 0.000 0.514 210 L N 1.182 122.458 121.223 0.088 0.000 2.585 210 L HA 0.144 4.486 4.340 0.004 0.000 0.226 210 L C 0.655 177.582 176.870 0.096 0.000 1.113 210 L CA -0.023 54.883 54.840 0.109 0.000 0.876 210 L CB 0.119 42.243 42.059 0.108 0.000 1.072 210 L HN -0.133 nan 8.230 nan 0.000 0.468 211 T N 0.473 115.011 114.554 -0.027 0.000 2.916 211 T HA 0.101 4.453 4.350 0.004 0.000 0.303 211 T C 1.096 175.710 174.700 -0.144 0.000 1.025 211 T CA 0.218 62.168 62.100 -0.250 0.000 1.142 211 T CB 1.828 70.275 68.868 -0.702 0.000 0.947 211 T HN 0.134 nan 8.240 nan 0.000 0.544 212 V N 1.295 121.122 119.914 -0.146 0.000 3.371 212 V HA 0.609 4.731 4.120 0.004 0.000 0.246 212 V C -0.118 176.062 176.094 0.143 0.000 1.303 212 V CA -0.100 62.251 62.300 0.085 0.000 1.156 212 V CB 0.081 31.927 31.823 0.038 0.000 0.929 212 V HN 0.552 nan 8.190 nan 0.000 0.459 213 L N 1.231 122.415 121.223 -0.066 0.000 2.588 213 L HA 0.788 5.131 4.340 0.004 0.000 0.263 213 L C -1.452 175.392 176.870 -0.044 0.000 0.935 213 L CA -0.249 54.594 54.840 0.004 0.000 0.891 213 L CB 2.172 44.187 42.059 -0.074 0.000 1.318 213 L HN 0.016 nan 8.230 nan 0.000 0.409 214 V N 4.883 124.840 119.914 0.071 0.000 2.680 214 V HA 0.596 4.718 4.120 0.004 0.000 0.309 214 V C -0.626 175.535 176.094 0.113 0.000 1.052 214 V CA -0.684 61.695 62.300 0.131 0.000 0.908 214 V CB 1.833 33.822 31.823 0.277 0.000 1.001 214 V HN 0.569 nan 8.190 nan 0.000 0.431 215 L N 4.034 125.301 121.223 0.073 0.000 2.295 215 L HA 0.672 5.014 4.340 0.004 0.000 0.285 215 L C -0.340 176.630 176.870 0.166 0.000 1.035 215 L CA -0.009 54.825 54.840 -0.009 0.000 0.806 215 L CB 1.879 43.802 42.059 -0.226 0.000 1.214 215 L HN 0.481 nan 8.230 nan 0.000 0.426 216 V N 3.019 123.039 119.914 0.177 0.000 2.487 216 V HA 0.603 4.726 4.120 0.004 0.000 0.298 216 V C -0.996 175.235 176.094 0.228 0.000 1.028 216 V CA -0.774 61.696 62.300 0.283 0.000 0.860 216 V CB 1.817 33.885 31.823 0.408 0.000 0.991 216 V HN 0.921 nan 8.190 nan 0.000 0.427 217 N N 1.643 120.475 118.700 0.219 0.000 2.454 217 N HA 0.726 5.468 4.740 0.004 0.000 0.291 217 N C -0.857 174.701 175.510 0.081 0.000 1.079 217 N CA -0.644 52.521 53.050 0.192 0.000 0.893 217 N CB 2.258 40.895 38.487 0.249 0.000 1.512 217 N HN 0.649 nan 8.380 nan 0.000 0.497 218 T N -0.665 113.919 114.554 0.051 0.000 2.933 218 T HA 0.758 5.111 4.350 0.004 0.000 0.305 218 T C -0.706 174.034 174.700 0.067 0.000 1.092 218 T CA -0.693 61.400 62.100 -0.011 0.000 1.008 218 T CB 0.894 69.784 68.868 0.037 0.000 1.102 218 T HN 0.493 nan 8.240 nan 0.000 0.469 219 I N 2.056 122.713 120.570 0.145 0.000 2.656 219 I HA 0.472 4.644 4.170 0.004 0.000 0.292 219 I C -1.540 174.813 176.117 0.394 0.000 1.144 219 I CA -1.221 60.255 61.300 0.294 0.000 1.038 219 I CB 2.512 40.779 38.000 0.445 0.000 1.244 219 I HN 0.806 nan 8.210 nan 0.000 0.420 220 Y N 6.268 126.717 120.300 0.248 0.000 2.446 220 Y HA 0.746 5.298 4.550 0.003 0.000 0.338 220 Y C -1.746 174.322 175.900 0.281 0.000 1.055 220 Y CA -1.013 57.216 58.100 0.215 0.000 1.101 220 Y CB 1.743 40.223 38.460 0.033 0.000 1.221 220 Y HN 0.467 nan 8.280 nan 0.000 0.460 221 F N 5.215 124.622 119.950 -0.906 0.000 2.628 221 F HA 0.524 5.053 4.527 0.004 0.000 0.309 221 F C -1.791 173.470 175.800 -0.899 0.000 1.108 221 F CA -0.823 56.755 58.000 -0.702 0.000 0.971 221 F CB 1.588 40.303 39.000 -0.475 0.000 1.279 221 F HN 0.511 nan 8.300 nan 0.000 0.441 222 K N 4.157 123.838 120.400 -1.199 0.000 2.690 222 K HA 0.533 4.855 4.320 0.004 0.000 0.264 222 K C -1.321 174.564 176.600 -1.193 0.000 1.040 222 K CA -0.522 55.224 56.287 -0.903 0.000 0.946 222 K CB 1.254 33.487 32.500 -0.444 0.000 1.268 222 K HN 0.901 nan 8.250 nan 0.000 0.473 223 G N 2.898 110.874 108.800 -1.373 0.000 2.367 223 G HA2 0.388 4.350 3.960 0.004 0.000 0.314 223 G HA3 0.388 4.350 3.960 0.004 0.000 0.314 223 G C -0.982 173.464 174.900 -0.756 0.000 1.130 223 G CA -0.716 43.488 45.100 -1.492 0.000 0.864 223 G HN 0.466 nan 8.290 nan 0.000 0.486 224 L N 2.475 123.455 121.223 -0.406 0.000 2.456 224 L HA 0.268 4.611 4.340 0.004 0.000 0.277 224 L C 0.047 177.083 176.870 0.278 0.000 1.124 224 L CA -0.834 53.970 54.840 -0.059 0.000 0.880 224 L CB -0.260 41.787 42.059 -0.020 0.000 1.192 224 L HN 0.543 nan 8.230 nan 0.000 0.463 225 W N 5.349 126.849 121.300 0.332 0.000 2.210 225 W HA 0.035 4.698 4.660 0.004 0.000 0.330 225 W C 1.541 178.170 176.519 0.183 0.000 1.334 225 W CA -0.409 57.133 57.345 0.329 0.000 1.227 225 W CB 0.680 30.295 29.460 0.260 0.000 1.178 225 W HN 0.608 nan 8.180 nan 0.000 0.560 226 K N 1.325 121.986 120.400 0.434 0.000 2.097 226 K HA -0.109 4.213 4.320 0.004 0.000 0.205 226 K C 0.690 177.347 176.600 0.094 0.000 1.050 226 K CA 1.096 57.506 56.287 0.204 0.000 0.938 226 K CB 0.044 32.627 32.500 0.139 0.000 0.718 226 K HN 0.240 nan 8.250 nan 0.000 0.442 227 S N 1.376 117.108 115.700 0.052 0.000 2.577 227 S HA 0.215 4.687 4.470 0.004 0.000 0.294 227 S C -1.302 173.219 174.600 -0.131 0.000 1.161 227 S CA -0.981 57.154 58.200 -0.107 0.000 1.143 227 S CB 0.444 63.472 63.200 -0.287 0.000 0.991 227 S HN 0.260 nan 8.310 nan 0.000 0.475 228 K N 2.806 123.200 120.400 -0.010 0.000 2.258 228 K HA 0.353 4.676 4.320 0.004 0.000 0.264 228 K C -0.771 175.780 176.600 -0.082 0.000 1.007 228 K CA -0.302 56.030 56.287 0.075 0.000 0.941 228 K CB 0.451 33.070 32.500 0.198 0.000 0.966 228 K HN 0.296 nan 8.250 nan 0.000 0.480 229 F N 0.601 120.573 119.950 0.038 0.000 2.379 229 F HA 0.144 4.673 4.527 0.003 0.000 0.332 229 F C 1.070 176.908 175.800 0.064 0.000 1.096 229 F CA -0.414 57.596 58.000 0.016 0.000 1.105 229 F CB 1.740 40.746 39.000 0.010 0.000 1.189 229 F HN 0.541 nan 8.300 nan 0.000 0.515 230 S N 3.482 119.320 115.700 0.230 0.000 2.480 230 S HA 0.359 4.831 4.470 0.004 0.000 0.286 230 S C -1.820 172.882 174.600 0.169 0.000 1.180 230 S CA -1.615 56.683 58.200 0.163 0.000 1.075 230 S CB 1.258 64.527 63.200 0.114 0.000 0.996 230 S HN 0.304 nan 8.310 nan 0.000 0.487 231 P HA -0.122 nan 4.420 nan 0.000 0.217 231 P C 0.927 178.281 177.300 0.089 0.000 1.148 231 P CA 1.210 64.373 63.100 0.106 0.000 0.828 231 P CB 0.066 31.816 31.700 0.084 0.000 0.783 232 E N -0.213 120.037 120.200 0.082 0.000 2.097 232 E HA -0.239 4.113 4.350 0.004 0.000 0.196 232 E C 1.517 178.158 176.600 0.067 0.000 1.000 232 E CA 1.704 58.143 56.400 0.066 0.000 0.804 232 E CB -0.795 28.940 29.700 0.058 0.000 0.740 232 E HN 0.513 nan 8.360 nan 0.000 0.454 233 N N 0.036 118.797 118.700 0.102 0.000 2.409 233 N HA -0.039 4.703 4.740 0.004 0.000 0.179 233 N C 0.061 175.629 175.510 0.097 0.000 1.032 233 N CA 0.418 53.530 53.050 0.103 0.000 0.898 233 N CB 0.115 38.742 38.487 0.234 0.000 0.971 233 N HN -0.088 nan 8.380 nan 0.000 0.441 234 T N 2.198 116.817 114.554 0.107 0.000 2.866 234 T HA 0.032 4.384 4.350 0.004 0.000 0.293 234 T C 0.361 175.096 174.700 0.059 0.000 1.005 234 T CA 0.421 62.572 62.100 0.086 0.000 1.162 234 T CB 0.322 69.232 68.868 0.070 0.000 0.968 234 T HN 0.093 nan 8.240 nan 0.000 0.530 235 R N 2.164 122.701 120.500 0.061 0.000 2.888 235 R HA 0.436 4.778 4.340 0.004 0.000 0.266 235 R C -0.486 175.843 176.300 0.048 0.000 1.020 235 R CA -1.069 55.057 56.100 0.043 0.000 0.963 235 R CB 1.244 31.566 30.300 0.036 0.000 1.197 235 R HN 0.358 nan 8.270 nan 0.000 0.481 236 K N 2.081 122.501 120.400 0.033 0.000 2.285 236 K HA 0.292 4.614 4.320 0.004 0.000 0.286 236 K C -0.282 176.336 176.600 0.030 0.000 1.072 236 K CA 0.003 56.308 56.287 0.030 0.000 0.913 236 K CB 0.995 33.506 32.500 0.019 0.000 1.067 236 K HN 0.497 nan 8.250 nan 0.000 0.479 237 E N 2.519 122.742 120.200 0.038 0.000 2.367 237 E HA 0.348 4.701 4.350 0.004 0.000 0.273 237 E C -0.615 175.988 176.600 0.005 0.000 0.903 237 E CA -0.820 55.597 56.400 0.029 0.000 0.764 237 E CB 1.753 31.487 29.700 0.057 0.000 1.252 237 E HN 0.323 nan 8.360 nan 0.000 0.446 238 L N 2.712 123.901 121.223 -0.055 0.000 2.416 238 L HA 0.256 4.598 4.340 0.004 0.000 0.272 238 L C -0.165 176.559 176.870 -0.244 0.000 1.161 238 L CA 0.073 54.799 54.840 -0.190 0.000 0.845 238 L CB 0.123 41.975 42.059 -0.344 0.000 1.119 238 L HN 0.410 nan 8.230 nan 0.000 0.464 239 F N 2.578 122.285 119.950 -0.405 0.000 2.495 239 F HA 0.432 4.961 4.527 0.003 0.000 0.327 239 F C -0.827 174.697 175.800 -0.459 0.000 1.103 239 F CA -0.659 57.164 58.000 -0.295 0.000 0.949 239 F CB 1.163 40.096 39.000 -0.112 0.000 1.142 239 F HN 0.148 nan 8.300 nan 0.000 0.457 240 Y N 5.363 125.480 120.300 -0.305 0.000 2.417 240 Y HA 0.310 4.862 4.550 0.003 0.000 0.336 240 Y C -0.044 175.807 175.900 -0.082 0.000 0.961 240 Y CA -0.922 57.096 58.100 -0.136 0.000 1.215 240 Y CB 0.655 39.015 38.460 -0.166 0.000 1.120 240 Y HN 0.417 nan 8.280 nan 0.000 0.499 241 K N 0.427 120.958 120.400 0.218 0.000 2.098 241 K HA 0.675 4.997 4.320 0.004 0.000 0.257 241 K C 0.893 177.568 176.600 0.125 0.000 0.999 241 K CA -0.213 56.206 56.287 0.220 0.000 0.924 241 K CB 1.213 33.845 32.500 0.220 0.000 1.028 241 K HN 0.572 nan 8.250 nan 0.000 0.466 242 A N 1.551 124.429 122.820 0.096 0.000 2.093 242 A HA -0.226 4.096 4.320 0.004 0.000 0.222 242 A C 1.297 178.906 177.584 0.041 0.000 1.162 242 A CA 2.079 54.149 52.037 0.056 0.000 0.655 242 A CB -0.924 18.102 19.000 0.042 0.000 0.805 242 A HN 0.939 nan 8.150 nan 0.000 0.461 243 D N -2.619 117.808 120.400 0.045 0.000 2.340 243 D HA 0.295 4.937 4.640 0.004 0.000 0.220 243 D C 1.206 177.528 176.300 0.038 0.000 1.039 243 D CA 0.906 54.926 54.000 0.033 0.000 0.866 243 D CB -0.597 40.220 40.800 0.028 0.000 0.913 243 D HN 0.756 nan 8.370 nan 0.000 0.523 244 G N -0.429 108.402 108.800 0.052 0.000 2.225 244 G HA2 -0.322 3.641 3.960 0.004 0.000 0.254 244 G HA3 -0.322 3.641 3.960 0.004 0.000 0.254 244 G C 0.261 175.210 174.900 0.082 0.000 0.988 244 G CA 0.355 45.489 45.100 0.056 0.000 0.625 244 G HN 0.504 nan 8.290 nan 0.000 0.527 245 E N 0.479 120.726 120.200 0.078 0.000 2.322 245 E HA 0.701 5.054 4.350 0.004 0.000 0.257 245 E C 0.661 177.319 176.600 0.097 0.000 1.155 245 E CA 0.360 56.806 56.400 0.076 0.000 0.936 245 E CB 1.118 30.846 29.700 0.047 0.000 1.130 245 E HN 0.482 nan 8.360 nan 0.000 0.465 246 S N -0.102 115.633 115.700 0.058 0.000 2.704 246 S HA 0.697 5.169 4.470 0.004 0.000 0.305 246 S C -0.750 173.834 174.600 -0.027 0.000 1.107 246 S CA -0.663 57.525 58.200 -0.020 0.000 0.993 246 S CB 1.142 64.299 63.200 -0.071 0.000 1.110 246 S HN 0.560 nan 8.310 nan 0.000 0.534 247 c N 0.449 119.010 118.600 -0.066 0.000 3.285 247 c HA 0.839 5.412 4.570 0.004 0.000 0.320 247 c C -0.502 173.565 174.090 -0.039 0.000 1.411 247 c CA -0.392 55.923 56.329 -0.023 0.000 1.429 247 c CB 1.600 44.128 42.510 0.030 0.000 1.812 247 c HN 0.886 nan 8.230 nan 0.000 0.454 248 S N 1.478 117.164 115.700 -0.024 0.000 2.542 248 S HA 0.699 5.171 4.470 0.004 0.000 0.245 248 S C -0.226 174.371 174.600 -0.005 0.000 1.325 248 S CA -0.062 58.130 58.200 -0.015 0.000 1.176 248 S CB 0.225 63.417 63.200 -0.014 0.000 1.045 248 S HN 1.033 nan 8.310 nan 0.000 0.481 249 A N 2.720 125.552 122.820 0.022 0.000 2.252 249 A HA 0.758 5.080 4.320 0.004 0.000 0.305 249 A C 0.223 177.835 177.584 0.046 0.000 1.097 249 A CA -0.532 51.519 52.037 0.023 0.000 0.849 249 A CB 0.626 19.666 19.000 0.067 0.000 1.142 249 A HN 0.594 nan 8.150 nan 0.000 0.499 250 S N 0.670 116.400 115.700 0.050 0.000 2.464 250 S HA 0.352 4.824 4.470 0.004 0.000 0.313 250 S C -0.255 174.389 174.600 0.074 0.000 1.078 250 S CA -0.151 58.080 58.200 0.053 0.000 1.096 250 S CB -0.269 62.955 63.200 0.040 0.000 1.032 250 S HN 0.557 nan 8.310 nan 0.000 0.498 251 M N 4.994 124.648 119.600 0.091 0.000 2.162 251 M HA 0.372 4.854 4.480 0.004 0.000 0.356 251 M C -0.432 175.928 176.300 0.099 0.000 1.303 251 M CA 0.305 55.678 55.300 0.122 0.000 1.116 251 M CB 0.224 32.927 32.600 0.172 0.000 1.632 251 M HN 0.485 nan 8.290 nan 0.000 0.469 252 M N 4.630 124.244 119.600 0.023 0.000 2.314 252 M HA 0.355 4.837 4.480 0.004 0.000 0.342 252 M C -1.102 175.273 176.300 0.125 0.000 1.171 252 M CA -0.587 54.679 55.300 -0.057 0.000 1.098 252 M CB 1.270 33.518 32.600 -0.586 0.000 1.559 252 M HN 0.693 nan 8.290 nan 0.000 0.459 253 Y N 2.007 122.386 120.300 0.131 0.000 2.553 253 Y HA 0.599 5.151 4.550 0.002 0.000 0.347 253 Y C -1.241 174.757 175.900 0.162 0.000 1.019 253 Y CA -0.525 57.603 58.100 0.045 0.000 1.032 253 Y CB 1.815 40.208 38.460 -0.112 0.000 1.284 253 Y HN 0.771 nan 8.280 nan 0.000 0.466 254 Q N 2.276 121.617 119.800 -0.765 0.000 2.791 254 Q HA 0.407 4.749 4.340 0.004 0.000 0.280 254 Q C -2.310 173.300 176.000 -0.650 0.000 0.928 254 Q CA -1.002 54.400 55.803 -0.669 0.000 0.819 254 Q CB 1.556 29.987 28.738 -0.511 0.000 1.552 254 Q HN 0.752 nan 8.270 nan 0.000 0.410 255 E N 0.082 120.028 120.200 -0.424 0.000 2.227 255 E HA 0.882 5.235 4.350 0.004 0.000 0.268 255 E C -0.568 175.962 176.600 -0.116 0.000 0.907 255 E CA -0.524 55.734 56.400 -0.236 0.000 0.786 255 E CB 2.225 31.813 29.700 -0.186 0.000 1.191 255 E HN 0.862 nan 8.360 nan 0.000 0.411 256 G N 1.163 109.946 108.800 -0.028 0.000 2.341 256 G HA2 0.205 4.168 3.960 0.004 0.000 0.299 256 G HA3 0.205 4.168 3.960 0.004 0.000 0.299 256 G C -1.624 173.164 174.900 -0.187 0.000 1.274 256 G CA -0.849 44.153 45.100 -0.164 0.000 0.853 256 G HN 0.291 nan 8.290 nan 0.000 0.493 257 K N 0.180 120.320 120.400 -0.432 0.000 2.293 257 K HA 0.677 5.000 4.320 0.004 0.000 0.267 257 K C -1.617 174.646 176.600 -0.561 0.000 1.010 257 K CA -0.458 55.637 56.287 -0.320 0.000 0.875 257 K CB 0.599 32.955 32.500 -0.240 0.000 1.106 257 K HN 0.269 nan 8.250 nan 0.000 0.450 258 F N 1.970 121.851 119.950 -0.115 0.000 2.601 258 F HA 0.423 4.952 4.527 0.003 0.000 0.309 258 F C 0.127 175.900 175.800 -0.046 0.000 1.089 258 F CA -1.016 56.920 58.000 -0.106 0.000 0.940 258 F CB 1.551 40.451 39.000 -0.168 0.000 1.273 258 F HN 0.277 nan 8.300 nan 0.000 0.450 259 R N 1.865 122.461 120.500 0.161 0.000 2.442 259 R HA 0.322 4.664 4.340 0.004 0.000 0.291 259 R C -1.434 174.965 176.300 0.165 0.000 1.069 259 R CA -0.255 55.918 56.100 0.122 0.000 1.022 259 R CB 0.694 31.040 30.300 0.077 0.000 0.976 259 R HN 0.737 nan 8.270 nan 0.000 0.443 260 Y N 1.407 121.703 120.300 -0.006 0.000 2.588 260 Y HA 0.543 5.096 4.550 0.005 0.000 0.343 260 Y C -1.362 174.520 175.900 -0.030 0.000 1.065 260 Y CA -1.330 56.747 58.100 -0.039 0.000 1.038 260 Y CB 2.055 40.489 38.460 -0.043 0.000 1.297 260 Y HN 0.529 nan 8.280 nan 0.000 0.467 261 R N 3.209 123.175 120.500 -0.889 0.000 2.536 261 R HA 0.415 4.757 4.340 0.004 0.000 0.269 261 R C -2.158 173.606 176.300 -0.894 0.000 1.113 261 R CA -0.736 54.935 56.100 -0.715 0.000 0.948 261 R CB 1.440 31.529 30.300 -0.352 0.000 1.237 261 R HN 0.852 nan 8.270 nan 0.000 0.441 262 R N 3.871 124.026 120.500 -0.575 0.000 2.229 262 R HA 0.541 4.884 4.340 0.004 0.000 0.328 262 R C -0.081 176.051 176.300 -0.278 0.000 1.009 262 R CA -0.493 55.393 56.100 -0.357 0.000 0.864 262 R CB 0.758 30.976 30.300 -0.137 0.000 1.085 262 R HN 0.545 nan 8.270 nan 0.000 0.453 263 V N 1.085 120.795 119.914 -0.340 0.000 3.707 263 V HA 0.691 4.814 4.120 0.004 0.000 0.293 263 V C 0.090 176.102 176.094 -0.137 0.000 1.307 263 V CA -0.895 61.231 62.300 -0.290 0.000 0.971 263 V CB 0.684 32.114 31.823 -0.655 0.000 1.263 263 V HN 0.780 nan 8.190 nan 0.000 0.473 264 A N 0.201 123.021 122.820 0.001 0.000 2.532 264 A HA 0.273 4.596 4.320 0.004 0.000 0.269 264 A C 0.808 178.436 177.584 0.074 0.000 1.079 264 A CA 1.246 53.345 52.037 0.104 0.000 0.800 264 A CB -1.745 17.410 19.000 0.259 0.000 1.000 264 A HN 1.251 nan 8.150 nan 0.000 0.522 265 E N 0.470 120.690 120.200 0.033 0.000 4.157 265 E HA -0.231 4.122 4.350 0.004 0.000 0.351 265 E C 0.996 177.592 176.600 -0.007 0.000 0.691 265 E CA 1.087 57.501 56.400 0.023 0.000 1.380 265 E CB -1.533 28.198 29.700 0.051 0.000 1.727 265 E HN 2.262 nan 8.360 nan 0.000 0.402 266 G N -0.748 108.029 108.800 -0.039 0.000 2.232 266 G HA2 -0.287 3.676 3.960 0.004 0.000 0.226 266 G HA3 -0.287 3.676 3.960 0.004 0.000 0.226 266 G C 0.380 175.224 174.900 -0.094 0.000 0.996 266 G CA 0.140 45.206 45.100 -0.056 0.000 0.626 266 G HN 0.249 nan 8.290 nan 0.000 0.509 267 T N 2.031 116.514 114.554 -0.119 0.000 2.923 267 T HA 0.360 4.713 4.350 0.004 0.000 0.304 267 T C 0.298 174.837 174.700 -0.268 0.000 1.044 267 T CA 0.798 62.788 62.100 -0.182 0.000 1.141 267 T CB 0.794 69.509 68.868 -0.255 0.000 1.023 267 T HN 0.463 nan 8.240 nan 0.000 0.533 268 Q N 1.728 121.425 119.800 -0.171 0.000 2.322 268 Q HA 0.530 4.872 4.340 0.004 0.000 0.265 268 Q C -1.014 174.971 176.000 -0.026 0.000 0.985 268 Q CA -0.740 54.998 55.803 -0.108 0.000 0.849 268 Q CB 1.993 30.809 28.738 0.132 0.000 1.274 268 Q HN 0.408 nan 8.270 nan 0.000 0.449 269 V N 3.915 123.693 119.914 -0.227 0.000 2.398 269 V HA 0.505 4.627 4.120 0.004 0.000 0.286 269 V C -0.736 175.292 176.094 -0.110 0.000 1.026 269 V CA -0.758 61.464 62.300 -0.130 0.000 0.868 269 V CB 1.458 33.147 31.823 -0.224 0.000 0.982 269 V HN 0.569 nan 8.190 nan 0.000 0.443 270 L N 3.879 125.035 121.223 -0.112 0.000 2.408 270 L HA 0.667 5.010 4.340 0.004 0.000 0.268 270 L C -0.566 176.209 176.870 -0.159 0.000 0.986 270 L CA -0.121 54.557 54.840 -0.270 0.000 0.820 270 L CB 2.084 43.520 42.059 -1.038 0.000 1.303 270 L HN 0.791 nan 8.230 nan 0.000 0.411 271 E N 4.529 124.691 120.200 -0.064 0.000 2.145 271 E HA 0.492 4.845 4.350 0.004 0.000 0.262 271 E C -1.786 174.856 176.600 0.070 0.000 0.883 271 E CA -0.714 55.702 56.400 0.026 0.000 0.748 271 E CB 0.955 30.698 29.700 0.072 0.000 1.140 271 E HN 0.634 nan 8.360 nan 0.000 0.417 272 L N 7.130 128.378 121.223 0.043 0.000 2.262 272 L HA 0.458 4.800 4.340 0.004 0.000 0.288 272 L C -2.200 174.731 176.870 0.102 0.000 1.035 272 L CA -1.963 52.933 54.840 0.092 0.000 0.820 272 L CB 0.875 42.820 42.059 -0.190 0.000 1.204 272 L HN 0.418 nan 8.230 nan 0.000 0.424 273 P HA 0.282 nan 4.420 nan 0.000 0.282 273 P C -0.812 176.573 177.300 0.141 0.000 1.249 273 P CA -0.357 62.787 63.100 0.074 0.000 0.806 273 P CB 0.927 32.684 31.700 0.096 0.000 0.984 274 F N 0.664 120.802 119.950 0.314 0.000 2.380 274 F HA 0.340 4.869 4.527 0.003 0.000 0.321 274 F C 1.618 177.521 175.800 0.172 0.000 1.103 274 F CA -0.865 57.287 58.000 0.253 0.000 1.067 274 F CB 0.446 39.572 39.000 0.209 0.000 1.265 274 F HN 0.219 nan 8.300 nan 0.000 0.517 275 K N 0.814 121.423 120.400 0.348 0.000 2.437 275 K HA 0.245 4.568 4.320 0.004 0.000 0.277 275 K C 0.833 177.531 176.600 0.164 0.000 1.073 275 K CA 1.277 57.682 56.287 0.196 0.000 1.105 275 K CB -0.430 32.150 32.500 0.134 0.000 0.881 275 K HN 0.905 nan 8.250 nan 0.000 0.475 276 G N 3.407 112.283 108.800 0.128 0.000 2.307 276 G HA2 -0.229 3.733 3.960 0.004 0.000 0.210 276 G HA3 -0.229 3.733 3.960 0.004 0.000 0.210 276 G C 0.259 175.224 174.900 0.109 0.000 1.005 276 G CA 0.124 45.287 45.100 0.104 0.000 0.634 276 G HN 0.897 nan 8.290 nan 0.000 0.496 277 D N -0.158 120.328 120.400 0.144 0.000 2.837 277 D HA -0.165 4.477 4.640 0.004 0.000 0.195 277 D C 0.865 177.249 176.300 0.141 0.000 1.033 277 D CA 1.498 55.577 54.000 0.132 0.000 1.021 277 D CB -1.142 39.709 40.800 0.084 0.000 1.101 277 D HN 0.547 nan 8.370 nan 0.000 0.431 278 D N 0.243 120.733 120.400 0.149 0.000 2.084 278 D HA -0.027 4.615 4.640 0.004 0.000 0.196 278 D C 1.063 177.475 176.300 0.186 0.000 0.985 278 D CA 0.848 54.933 54.000 0.141 0.000 0.826 278 D CB 0.301 41.175 40.800 0.125 0.000 0.978 278 D HN 0.282 nan 8.370 nan 0.000 0.456 279 I N 0.462 121.191 120.570 0.265 0.000 2.377 279 I HA 0.145 4.318 4.170 0.004 0.000 0.293 279 I C 0.301 176.700 176.117 0.469 0.000 0.987 279 I CA -0.066 61.451 61.300 0.362 0.000 1.185 279 I CB 1.994 40.240 38.000 0.410 0.000 1.341 279 I HN -0.124 nan 8.210 nan 0.000 0.455 280 T N 3.331 118.105 114.554 0.365 0.000 2.896 280 T HA 0.652 5.004 4.350 0.004 0.000 0.297 280 T C -0.617 174.210 174.700 0.212 0.000 1.108 280 T CA -0.905 61.308 62.100 0.190 0.000 1.004 280 T CB 1.576 70.528 68.868 0.141 0.000 1.159 280 T HN 0.545 nan 8.240 nan 0.000 0.499 281 M N 2.647 122.290 119.600 0.070 0.000 2.227 281 M HA 0.682 5.164 4.480 0.004 0.000 0.335 281 M C -1.877 174.575 176.300 0.254 0.000 1.053 281 M CA -0.722 54.735 55.300 0.263 0.000 0.973 281 M CB 1.217 34.020 32.600 0.339 0.000 1.623 281 M HN 0.563 nan 8.290 nan 0.000 0.434 282 V N 6.636 126.743 119.914 0.321 0.000 2.459 282 V HA 0.505 4.627 4.120 0.004 0.000 0.295 282 V C -0.400 175.920 176.094 0.378 0.000 1.029 282 V CA -0.681 61.791 62.300 0.287 0.000 0.874 282 V CB 1.769 33.755 31.823 0.271 0.000 0.985 282 V HN 0.831 nan 8.190 nan 0.000 0.438 283 L N 5.699 127.093 121.223 0.284 0.000 2.329 283 L HA 0.648 4.990 4.340 0.004 0.000 0.279 283 L C -0.894 176.198 176.870 0.369 0.000 1.014 283 L CA -0.642 54.425 54.840 0.378 0.000 0.814 283 L CB 1.912 44.146 42.059 0.293 0.000 1.257 283 L HN 0.420 nan 8.230 nan 0.000 0.424 284 I N 3.907 124.735 120.570 0.430 0.000 2.390 284 I HA 0.306 4.478 4.170 0.004 0.000 0.283 284 I C -0.702 175.594 176.117 0.298 0.000 1.016 284 I CA -0.105 61.391 61.300 0.328 0.000 1.151 284 I CB 1.665 39.903 38.000 0.397 0.000 1.293 284 I HN 0.359 nan 8.210 nan 0.000 0.458 285 L N 10.515 131.854 121.223 0.193 0.000 2.298 285 L HA 0.749 5.092 4.340 0.004 0.000 0.284 285 L C -2.476 174.392 176.870 -0.004 0.000 1.013 285 L CA -1.631 53.250 54.840 0.068 0.000 0.824 285 L CB 1.088 43.015 42.059 -0.220 0.000 1.221 285 L HN 0.255 nan 8.230 nan 0.000 0.418 286 P HA 0.330 nan 4.420 nan 0.000 0.278 286 P C -0.842 176.431 177.300 -0.044 0.000 1.266 286 P CA -0.486 62.615 63.100 0.002 0.000 0.807 286 P CB 0.419 32.147 31.700 0.046 0.000 1.094 287 K N 0.765 121.139 120.400 -0.042 0.000 2.149 287 K HA 0.227 4.550 4.320 0.004 0.000 0.245 287 K C -1.846 174.717 176.600 -0.062 0.000 1.024 287 K CA -0.817 55.434 56.287 -0.061 0.000 0.899 287 K CB -2.027 30.444 32.500 -0.048 0.000 1.038 287 K HN 0.399 nan 8.250 nan 0.000 0.496 288 P HA -0.104 nan 4.420 nan 0.000 0.220 288 P C 0.339 177.595 177.300 -0.072 0.000 1.148 288 P CA 1.146 64.188 63.100 -0.096 0.000 0.803 288 P CB 0.365 31.985 31.700 -0.132 0.000 0.782 289 E N -0.299 119.867 120.200 -0.055 0.000 2.060 289 E HA -0.035 4.317 4.350 0.004 0.000 0.189 289 E C 0.992 177.579 176.600 -0.022 0.000 0.974 289 E CA 0.675 57.051 56.400 -0.040 0.000 0.808 289 E CB -0.464 29.215 29.700 -0.034 0.000 0.768 289 E HN 0.140 nan 8.360 nan 0.000 0.453 290 K N 2.267 122.659 120.400 -0.013 0.000 2.338 290 K HA 0.098 4.420 4.320 0.004 0.000 0.290 290 K C -0.171 176.437 176.600 0.013 0.000 1.069 290 K CA -0.168 56.123 56.287 0.006 0.000 0.941 290 K CB 0.456 32.968 32.500 0.020 0.000 1.023 290 K HN 0.125 nan 8.250 nan 0.000 0.477 291 S N 3.492 119.201 115.700 0.016 0.000 2.587 291 S HA -0.065 4.407 4.470 0.004 0.000 0.260 291 S C 1.052 175.679 174.600 0.045 0.000 1.353 291 S CA -0.564 57.650 58.200 0.023 0.000 0.995 291 S CB 0.690 63.901 63.200 0.019 0.000 0.912 291 S HN 0.686 nan 8.310 nan 0.000 0.568 292 L N 1.477 122.732 121.223 0.054 0.000 2.395 292 L HA 0.282 4.625 4.340 0.004 0.000 0.218 292 L C 2.397 179.317 176.870 0.084 0.000 1.130 292 L CA 1.693 56.581 54.840 0.082 0.000 0.826 292 L CB -1.406 40.706 42.059 0.088 0.000 0.941 292 L HN 0.918 nan 8.230 nan 0.000 0.451 293 A N -0.196 122.658 122.820 0.056 0.000 1.902 293 A HA -0.180 4.142 4.320 0.004 0.000 0.217 293 A C 2.253 179.866 177.584 0.049 0.000 1.181 293 A CA 1.681 53.744 52.037 0.044 0.000 0.623 293 A CB -0.386 18.624 19.000 0.017 0.000 0.818 293 A HN 0.467 nan 8.150 nan 0.000 0.443 294 K N -0.223 120.207 120.400 0.050 0.000 2.002 294 K HA -0.093 4.229 4.320 0.004 0.000 0.209 294 K C 1.980 178.627 176.600 0.078 0.000 1.048 294 K CA 1.502 57.819 56.287 0.052 0.000 0.930 294 K CB -0.871 31.658 32.500 0.048 0.000 0.714 294 K HN 0.325 nan 8.250 nan 0.000 0.438 295 V N 2.429 122.409 119.914 0.111 0.000 2.252 295 V HA -0.283 3.839 4.120 0.004 0.000 0.249 295 V C 2.273 178.452 176.094 0.141 0.000 1.056 295 V CA 1.975 64.371 62.300 0.160 0.000 1.022 295 V CB -0.707 31.251 31.823 0.226 0.000 0.641 295 V HN 0.375 nan 8.190 nan 0.000 0.445 296 E N 0.174 120.460 120.200 0.144 0.000 2.065 296 E HA -0.318 4.035 4.350 0.004 0.000 0.201 296 E C 2.279 178.946 176.600 0.110 0.000 1.016 296 E CA 1.878 58.377 56.400 0.166 0.000 0.818 296 E CB -0.280 29.549 29.700 0.215 0.000 0.749 296 E HN 0.601 nan 8.360 nan 0.000 0.453 297 K N 0.837 121.278 120.400 0.068 0.000 2.009 297 K HA -0.182 4.140 4.320 0.004 0.000 0.210 297 K C 2.109 178.719 176.600 0.017 0.000 1.049 297 K CA 1.588 57.894 56.287 0.031 0.000 0.929 297 K CB -0.085 32.423 32.500 0.013 0.000 0.714 297 K HN 0.075 nan 8.250 nan 0.000 0.440 298 E N 0.257 120.470 120.200 0.022 0.000 2.347 298 E HA -0.084 4.269 4.350 0.004 0.000 0.196 298 E C -0.363 176.202 176.600 -0.058 0.000 1.008 298 E CA 0.069 56.466 56.400 -0.005 0.000 0.852 298 E CB 0.167 29.880 29.700 0.022 0.000 0.783 298 E HN 0.001 nan 8.360 nan 0.000 0.505 299 L N 1.884 123.078 121.223 -0.048 0.000 2.385 299 L HA 0.101 4.443 4.340 0.004 0.000 0.281 299 L C 0.281 177.084 176.870 -0.111 0.000 1.106 299 L CA 0.377 55.138 54.840 -0.132 0.000 0.856 299 L CB 0.352 42.365 42.059 -0.077 0.000 1.186 299 L HN -0.043 nan 8.230 nan 0.000 0.453 300 T N 2.137 116.587 114.554 -0.174 0.000 2.949 300 T HA 0.578 4.931 4.350 0.004 0.000 0.287 300 T C -1.989 172.611 174.700 -0.166 0.000 1.034 300 T CA -1.846 60.176 62.100 -0.129 0.000 1.018 300 T CB 1.543 70.342 68.868 -0.115 0.000 1.135 300 T HN 0.310 nan 8.240 nan 0.000 0.532 301 P HA -0.055 nan 4.420 nan 0.000 0.215 301 P C 1.150 178.362 177.300 -0.146 0.000 1.157 301 P CA 1.161 64.187 63.100 -0.123 0.000 0.868 301 P CB 0.042 31.695 31.700 -0.079 0.000 0.788 302 E N -0.517 119.604 120.200 -0.132 0.000 2.085 302 E HA -0.126 4.227 4.350 0.004 0.000 0.194 302 E C 2.047 178.539 176.600 -0.179 0.000 0.994 302 E CA 1.042 57.367 56.400 -0.124 0.000 0.801 302 E CB -1.339 28.304 29.700 -0.094 0.000 0.743 302 E HN 0.032 nan 8.360 nan 0.000 0.453 303 V N 0.843 120.593 119.914 -0.275 0.000 2.358 303 V HA -0.224 3.898 4.120 0.004 0.000 0.246 303 V C 2.275 178.023 176.094 -0.577 0.000 1.047 303 V CA 1.531 63.551 62.300 -0.467 0.000 1.035 303 V CB -0.514 30.927 31.823 -0.637 0.000 0.658 303 V HN 0.209 nan 8.190 nan 0.000 0.452 304 L N -0.221 120.721 121.223 -0.469 0.000 1.989 304 L HA -0.266 4.076 4.340 0.004 0.000 0.211 304 L C 2.646 179.434 176.870 -0.136 0.000 1.071 304 L CA 2.225 56.873 54.840 -0.321 0.000 0.749 304 L CB -0.416 41.448 42.059 -0.325 0.000 0.890 304 L HN 0.318 nan 8.230 nan 0.000 0.431 305 Q N 0.204 119.928 119.800 -0.125 0.000 2.014 305 Q HA -0.306 4.036 4.340 0.004 0.000 0.207 305 Q C 2.056 178.054 176.000 -0.004 0.000 0.993 305 Q CA 2.404 58.178 55.803 -0.047 0.000 0.850 305 Q CB -0.393 28.323 28.738 -0.037 0.000 0.916 305 Q HN 0.589 nan 8.270 nan 0.000 0.417 306 E N -1.126 119.054 120.200 -0.034 0.000 2.045 306 E HA -0.250 4.102 4.350 0.004 0.000 0.212 306 E C 1.591 178.276 176.600 0.142 0.000 1.039 306 E CA 1.835 58.247 56.400 0.021 0.000 0.860 306 E CB -0.353 29.325 29.700 -0.036 0.000 0.776 306 E HN 0.446 nan 8.360 nan 0.000 0.467 307 W N 0.586 121.863 121.300 -0.038 0.000 2.289 307 W HA -0.251 4.412 4.660 0.005 0.000 0.331 307 W C 2.358 178.851 176.519 -0.043 0.000 1.283 307 W CA 1.079 58.398 57.345 -0.044 0.000 1.252 307 W CB -1.396 28.034 29.460 -0.050 0.000 1.153 307 W HN 0.246 nan 8.180 nan 0.000 0.467 308 L N -0.176 121.174 121.223 0.213 0.000 2.051 308 L HA -0.286 4.056 4.340 0.004 0.000 0.214 308 L C 2.111 179.026 176.870 0.075 0.000 1.076 308 L CA 1.774 56.678 54.840 0.106 0.000 0.758 308 L CB -0.913 41.184 42.059 0.063 0.000 0.890 308 L HN -0.055 nan 8.230 nan 0.000 0.433 309 D N -0.037 120.407 120.400 0.073 0.000 2.178 309 D HA -0.159 4.483 4.640 0.004 0.000 0.201 309 D C 1.674 178.004 176.300 0.050 0.000 0.980 309 D CA 1.103 55.137 54.000 0.056 0.000 0.842 309 D CB -0.097 40.734 40.800 0.052 0.000 0.948 309 D HN 0.553 nan 8.370 nan 0.000 0.472 310 E N 0.250 120.483 120.200 0.057 0.000 2.463 310 E HA 0.087 4.439 4.350 0.004 0.000 0.191 310 E C 0.403 177.008 176.600 0.008 0.000 1.083 310 E CA -0.177 56.243 56.400 0.034 0.000 0.872 310 E CB 0.167 29.890 29.700 0.039 0.000 0.966 310 E HN 0.258 nan 8.360 nan 0.000 0.491 311 L N 2.219 123.450 121.223 0.013 0.000 2.453 311 L HA 0.082 4.424 4.340 0.004 0.000 0.272 311 L C 0.282 177.164 176.870 0.021 0.000 1.182 311 L CA 0.574 55.415 54.840 0.003 0.000 0.858 311 L CB 0.430 42.502 42.059 0.022 0.000 1.120 311 L HN 0.079 nan 8.230 nan 0.000 0.474 312 E N 2.316 122.535 120.200 0.032 0.000 2.234 312 E HA 0.244 4.597 4.350 0.004 0.000 0.266 312 E C -1.029 175.614 176.600 0.071 0.000 0.877 312 E CA -0.767 55.660 56.400 0.046 0.000 0.758 312 E CB 2.209 31.936 29.700 0.047 0.000 1.170 312 E HN 0.437 nan 8.360 nan 0.000 0.415 313 E N 3.003 123.232 120.200 0.048 0.000 2.442 313 E HA 0.150 4.502 4.350 0.004 0.000 0.262 313 E C -0.746 175.882 176.600 0.046 0.000 1.004 313 E CA 0.644 57.068 56.400 0.040 0.000 0.928 313 E CB 0.600 30.305 29.700 0.008 0.000 0.937 313 E HN 0.383 nan 8.360 nan 0.000 0.446 314 M N 3.172 122.798 119.600 0.043 0.000 2.790 314 M HA 0.223 4.705 4.480 0.004 0.000 0.272 314 M C -1.808 174.492 176.300 0.001 0.000 1.168 314 M CA -0.686 54.631 55.300 0.029 0.000 0.829 314 M CB 1.654 34.296 32.600 0.070 0.000 1.675 314 M HN 0.452 nan 8.290 nan 0.000 0.505 315 M N 4.417 124.004 119.600 -0.023 0.000 2.129 315 M HA 0.526 5.008 4.480 0.004 0.000 0.348 315 M C -1.436 174.829 176.300 -0.058 0.000 1.116 315 M CA -0.541 54.737 55.300 -0.036 0.000 1.022 315 M CB 0.780 33.354 32.600 -0.044 0.000 1.599 315 M HN 0.549 nan 8.290 nan 0.000 0.449 316 L N 2.609 123.798 121.223 -0.057 0.000 2.600 316 L HA 0.733 5.075 4.340 0.004 0.000 0.257 316 L C -0.741 176.058 176.870 -0.118 0.000 1.048 316 L CA -1.114 53.652 54.840 -0.123 0.000 0.869 316 L CB 0.247 42.145 42.059 -0.269 0.000 1.482 316 L HN 0.280 nan 8.230 nan 0.000 0.408 317 V N 0.749 120.590 119.914 -0.123 0.000 2.686 317 V HA 0.697 4.820 4.120 0.004 0.000 0.295 317 V C -0.190 175.803 176.094 -0.168 0.000 1.057 317 V CA -0.519 61.677 62.300 -0.172 0.000 1.012 317 V CB 1.604 33.397 31.823 -0.050 0.000 1.006 317 V HN 0.560 nan 8.190 nan 0.000 0.477 318 V N 4.101 123.843 119.914 -0.287 0.000 2.483 318 V HA 0.433 4.555 4.120 0.004 0.000 0.297 318 V C -0.874 175.173 176.094 -0.079 0.000 1.027 318 V CA -0.651 61.546 62.300 -0.172 0.000 0.855 318 V CB 1.461 33.047 31.823 -0.395 0.000 0.995 318 V HN 0.944 nan 8.190 nan 0.000 0.424 319 H N 4.329 123.476 119.070 0.128 0.000 2.469 319 H HA 0.812 5.370 4.556 0.004 0.000 0.342 319 H C -0.274 175.118 175.328 0.105 0.000 1.115 319 H CA -0.431 55.703 56.048 0.144 0.000 1.204 319 H CB 1.729 31.564 29.762 0.122 0.000 1.492 319 H HN 0.601 nan 8.280 nan 0.000 0.499 320 M N 4.093 123.783 119.600 0.150 0.000 2.333 320 M HA 0.284 4.766 4.480 0.004 0.000 0.286 320 M C -3.168 173.192 176.300 0.101 0.000 1.113 320 M CA -1.737 53.620 55.300 0.097 0.000 0.959 320 M CB 2.504 35.116 32.600 0.021 0.000 1.776 320 M HN 0.383 nan 8.290 nan 0.000 0.492 321 P HA 0.276 nan 4.420 nan 0.000 0.278 321 P C -1.515 175.980 177.300 0.325 0.000 1.238 321 P CA -0.194 63.067 63.100 0.268 0.000 0.794 321 P CB 0.388 32.285 31.700 0.327 0.000 0.955 322 R N 2.693 123.299 120.500 0.176 0.000 2.308 322 R HA 0.680 5.022 4.340 0.004 0.000 0.305 322 R C -0.091 176.322 176.300 0.188 0.000 1.053 322 R CA -0.395 55.769 56.100 0.108 0.000 0.957 322 R CB -0.024 30.281 30.300 0.009 0.000 1.022 322 R HN 0.467 nan 8.270 nan 0.000 0.461 323 F N -2.285 117.670 119.950 0.008 0.000 2.686 323 F HA 0.713 5.243 4.527 0.004 0.000 0.311 323 F C -0.903 174.847 175.800 -0.083 0.000 1.128 323 F CA -1.387 56.583 58.000 -0.051 0.000 0.946 323 F CB 1.643 40.601 39.000 -0.070 0.000 1.336 323 F HN 0.208 nan 8.300 nan 0.000 0.457 324 R N 1.320 121.818 120.500 -0.004 0.000 2.575 324 R HA 0.839 5.181 4.340 0.004 0.000 0.293 324 R C -1.378 174.804 176.300 -0.197 0.000 0.983 324 R CA -0.840 55.148 56.100 -0.188 0.000 0.887 324 R CB 1.774 31.985 30.300 -0.150 0.000 1.184 324 R HN 0.774 nan 8.270 nan 0.000 0.445 325 I N 1.700 122.049 120.570 -0.368 0.000 2.498 325 I HA 0.425 4.597 4.170 0.004 0.000 0.290 325 I C -0.110 175.739 176.117 -0.446 0.000 1.032 325 I CA -0.546 60.584 61.300 -0.282 0.000 1.073 325 I CB 2.201 40.141 38.000 -0.100 0.000 1.251 325 I HN 0.751 nan 8.210 nan 0.000 0.426 326 E N 4.629 124.676 120.200 -0.255 0.000 2.244 326 E HA 0.473 4.825 4.350 0.004 0.000 0.260 326 E C -1.822 174.860 176.600 0.136 0.000 0.884 326 E CA -0.778 55.561 56.400 -0.101 0.000 0.777 326 E CB 1.895 31.503 29.700 -0.153 0.000 1.197 326 E HN 0.312 nan 8.360 nan 0.000 0.416 327 D N 3.152 123.727 120.400 0.292 0.000 2.440 327 D HA 0.373 5.015 4.640 0.004 0.000 0.239 327 D C -0.813 175.754 176.300 0.445 0.000 1.084 327 D CA -0.248 53.998 54.000 0.409 0.000 0.843 327 D CB 1.692 42.837 40.800 0.576 0.000 1.097 327 D HN 0.600 nan 8.370 nan 0.000 0.531 328 G N 2.223 111.257 108.800 0.390 0.000 2.370 328 G HA2 0.603 4.566 3.960 0.004 0.000 0.317 328 G HA3 0.603 4.566 3.960 0.004 0.000 0.317 328 G C -0.777 174.406 174.900 0.472 0.000 1.162 328 G CA -0.592 44.698 45.100 0.317 0.000 0.922 328 G HN 0.313 nan 8.290 nan 0.000 0.454 329 F N -0.227 119.889 119.950 0.277 0.000 2.668 329 F HA 0.755 5.285 4.527 0.004 0.000 0.309 329 F C -0.519 175.440 175.800 0.265 0.000 1.117 329 F CA -1.599 56.553 58.000 0.252 0.000 0.951 329 F CB 1.543 40.665 39.000 0.203 0.000 1.323 329 F HN 0.257 nan 8.300 nan 0.000 0.451 330 S N 2.083 117.983 115.700 0.333 0.000 2.410 330 S HA 0.435 4.907 4.470 0.004 0.000 0.304 330 S C 0.992 175.676 174.600 0.141 0.000 1.095 330 S CA -0.744 57.479 58.200 0.038 0.000 1.089 330 S CB 0.328 63.475 63.200 -0.089 0.000 0.968 330 S HN 0.721 nan 8.310 nan 0.000 0.480 331 L N 3.823 125.132 121.223 0.144 0.000 2.353 331 L HA -0.105 4.237 4.340 0.004 0.000 0.220 331 L C 2.568 179.504 176.870 0.109 0.000 1.133 331 L CA 0.851 55.847 54.840 0.261 0.000 0.798 331 L CB -0.459 41.773 42.059 0.288 0.000 0.922 331 L HN 0.619 nan 8.230 nan 0.000 0.445 332 K N 1.153 121.483 120.400 -0.118 0.000 1.980 332 K HA -0.304 4.018 4.320 0.004 0.000 0.223 332 K C 1.984 178.346 176.600 -0.398 0.000 1.052 332 K CA 2.281 58.257 56.287 -0.518 0.000 0.974 332 K CB -0.225 31.910 32.500 -0.607 0.000 0.734 332 K HN 0.289 nan 8.250 nan 0.000 0.447 333 E N 0.318 120.383 120.200 -0.225 0.000 2.055 333 E HA -0.355 3.997 4.350 0.004 0.000 0.209 333 E C 2.251 178.799 176.600 -0.087 0.000 1.036 333 E CA 2.269 58.587 56.400 -0.137 0.000 0.849 333 E CB -0.170 29.486 29.700 -0.074 0.000 0.767 333 E HN 0.411 nan 8.360 nan 0.000 0.461 334 Q N 0.220 119.999 119.800 -0.036 0.000 2.062 334 Q HA -0.222 4.120 4.340 0.004 0.000 0.209 334 Q C 2.367 178.362 176.000 -0.008 0.000 0.996 334 Q CA 2.224 58.013 55.803 -0.024 0.000 0.859 334 Q CB -0.247 28.476 28.738 -0.025 0.000 0.920 334 Q HN 0.382 nan 8.270 nan 0.000 0.415 335 L N 0.150 121.403 121.223 0.051 0.000 2.042 335 L HA -0.268 4.075 4.340 0.004 0.000 0.210 335 L C 2.728 179.618 176.870 0.034 0.000 1.076 335 L CA 1.641 56.514 54.840 0.055 0.000 0.749 335 L CB -0.579 41.552 42.059 0.120 0.000 0.893 335 L HN 0.376 nan 8.230 nan 0.000 0.432 336 Q N -0.213 119.581 119.800 -0.010 0.000 2.014 336 Q HA -0.297 4.045 4.340 0.004 0.000 0.207 336 Q C 1.922 177.933 176.000 0.017 0.000 0.993 336 Q CA 2.107 57.927 55.803 0.028 0.000 0.850 336 Q CB -0.381 28.327 28.738 -0.051 0.000 0.916 336 Q HN 0.422 nan 8.270 nan 0.000 0.417 337 D N 0.515 120.913 120.400 -0.002 0.000 2.154 337 D HA -0.192 4.450 4.640 0.004 0.000 0.190 337 D C 1.737 178.055 176.300 0.031 0.000 1.003 337 D CA 1.526 55.541 54.000 0.026 0.000 0.849 337 D CB -0.087 40.744 40.800 0.051 0.000 0.942 337 D HN 0.217 nan 8.370 nan 0.000 0.446 338 M N -1.619 117.941 119.600 -0.067 0.000 2.706 338 M HA 0.117 4.599 4.480 0.004 0.000 0.251 338 M C 1.496 177.741 176.300 -0.092 0.000 1.070 338 M CA 1.314 56.509 55.300 -0.175 0.000 1.073 338 M CB 0.104 32.480 32.600 -0.372 0.000 1.449 338 M HN 0.283 nan 8.290 nan 0.000 0.531 339 G N 1.318 110.101 108.800 -0.028 0.000 2.192 339 G HA2 -0.182 3.780 3.960 0.004 0.000 0.193 339 G HA3 -0.182 3.780 3.960 0.004 0.000 0.193 339 G C -0.207 174.703 174.900 0.017 0.000 0.999 339 G CA -0.515 44.581 45.100 -0.008 0.000 0.659 339 G HN 0.378 nan 8.290 nan 0.000 0.503 340 L N 2.847 124.098 121.223 0.046 0.000 2.358 340 L HA 0.628 4.970 4.340 0.004 0.000 0.274 340 L C 1.385 178.397 176.870 0.238 0.000 1.136 340 L CA -0.092 54.818 54.840 0.116 0.000 0.970 340 L CB 0.799 42.942 42.059 0.139 0.000 1.314 340 L HN 0.103 nan 8.230 nan 0.000 0.427 341 V N 0.890 120.900 119.914 0.160 0.000 2.602 341 V HA 0.051 4.173 4.120 0.004 0.000 0.235 341 V C 1.674 177.866 176.094 0.163 0.000 1.087 341 V CA 0.620 63.034 62.300 0.190 0.000 1.117 341 V CB -0.748 31.144 31.823 0.116 0.000 0.820 341 V HN 0.484 nan 8.190 nan 0.000 0.490 342 D N 1.170 121.618 120.400 0.081 0.000 2.157 342 D HA -0.239 4.403 4.640 0.004 0.000 0.191 342 D C 1.932 178.245 176.300 0.022 0.000 1.004 342 D CA 1.684 55.713 54.000 0.048 0.000 0.854 342 D CB -0.570 40.245 40.800 0.026 0.000 0.936 342 D HN 0.295 nan 8.370 nan 0.000 0.446 343 L N -0.458 120.720 121.223 -0.076 0.000 2.089 343 L HA -0.177 4.166 4.340 0.004 0.000 0.213 343 L C 1.660 178.373 176.870 -0.261 0.000 1.079 343 L CA 1.625 56.320 54.840 -0.241 0.000 0.758 343 L CB -0.452 41.330 42.059 -0.461 0.000 0.891 343 L HN 0.005 nan 8.230 nan 0.000 0.433 344 F N -2.048 117.990 119.950 0.147 0.000 2.754 344 F HA 0.244 4.773 4.527 0.004 0.000 0.297 344 F C 1.515 177.454 175.800 0.231 0.000 1.122 344 F CA 0.240 58.351 58.000 0.186 0.000 1.400 344 F CB -0.545 38.531 39.000 0.127 0.000 1.117 344 F HN 0.010 nan 8.300 nan 0.000 0.587 345 S N 2.164 118.025 115.700 0.269 0.000 2.439 345 S HA 0.222 4.694 4.470 0.004 0.000 0.282 345 S C -1.648 172.955 174.600 0.005 0.000 1.170 345 S CA -1.540 56.736 58.200 0.126 0.000 1.054 345 S CB 1.000 64.251 63.200 0.085 0.000 0.956 345 S HN -0.163 nan 8.310 nan 0.000 0.490 346 P HA -0.085 nan 4.420 nan 0.000 0.214 346 P C 1.735 178.893 177.300 -0.237 0.000 1.163 346 P CA 2.259 65.012 63.100 -0.578 0.000 0.889 346 P CB -0.104 31.138 31.700 -0.764 0.000 0.790 347 E N 0.743 120.857 120.200 -0.144 0.000 2.051 347 E HA -0.229 4.123 4.350 0.004 0.000 0.192 347 E C 1.790 178.367 176.600 -0.038 0.000 0.991 347 E CA 1.865 58.219 56.400 -0.076 0.000 0.799 347 E CB -1.383 28.286 29.700 -0.052 0.000 0.748 347 E HN 0.429 nan 8.360 nan 0.000 0.449 348 K N 0.400 120.789 120.400 -0.018 0.000 2.356 348 K HA 0.150 4.472 4.320 0.004 0.000 0.195 348 K C 1.376 177.983 176.600 0.012 0.000 1.037 348 K CA 0.480 56.769 56.287 0.003 0.000 1.014 348 K CB 0.460 32.969 32.500 0.016 0.000 0.815 348 K HN 0.213 nan 8.250 nan 0.000 0.507 349 S N 1.709 117.422 115.700 0.022 0.000 2.544 349 S HA 0.162 4.635 4.470 0.004 0.000 0.290 349 S C -0.214 174.400 174.600 0.022 0.000 1.276 349 S CA -0.023 58.199 58.200 0.036 0.000 1.075 349 S CB 0.157 63.417 63.200 0.100 0.000 0.849 349 S HN 0.277 nan 8.310 nan 0.000 0.494 350 K N 5.040 125.443 120.400 0.005 0.000 2.579 350 K HA 0.591 4.913 4.320 0.004 0.000 0.225 350 K C -1.011 175.578 176.600 -0.018 0.000 0.992 350 K CA -0.612 55.674 56.287 -0.001 0.000 1.018 350 K CB 0.421 32.923 32.500 0.003 0.000 1.249 350 K HN 0.705 nan 8.250 nan 0.000 0.489 351 L N 2.690 123.895 121.223 -0.030 0.000 2.495 351 L HA 0.354 4.696 4.340 0.004 0.000 0.248 351 L C -1.814 175.017 176.870 -0.066 0.000 1.229 351 L CA -1.553 53.250 54.840 -0.063 0.000 0.942 351 L CB 1.918 43.916 42.059 -0.102 0.000 1.242 351 L HN 0.355 nan 8.230 nan 0.000 0.484 352 P HA -0.014 nan 4.420 nan 0.000 0.229 352 P C 1.422 178.692 177.300 -0.050 0.000 1.160 352 P CA 0.622 63.698 63.100 -0.039 0.000 0.777 352 P CB 0.409 32.097 31.700 -0.020 0.000 0.814 353 G N -0.800 107.959 108.800 -0.069 0.000 2.920 353 G HA2 0.013 3.976 3.960 0.004 0.000 0.208 353 G HA3 0.013 3.976 3.960 0.004 0.000 0.208 353 G C 1.196 176.008 174.900 -0.146 0.000 1.159 353 G CA 0.042 45.105 45.100 -0.062 0.000 0.784 353 G HN 0.253 nan 8.290 nan 0.000 0.535 354 I N 0.154 120.579 120.570 -0.242 0.000 3.526 354 I HA 0.119 4.291 4.170 0.004 0.000 0.294 354 I C 0.574 176.665 176.117 -0.043 0.000 1.229 354 I CA 0.139 61.217 61.300 -0.370 0.000 1.408 354 I CB 0.670 38.324 38.000 -0.576 0.000 1.127 354 I HN -0.056 nan 8.210 nan 0.000 0.439 355 V N -0.980 118.916 119.914 -0.029 0.000 3.193 355 V HA 0.644 4.766 4.120 0.004 0.000 0.320 355 V C 1.384 177.450 176.094 -0.047 0.000 1.112 355 V CA -0.552 61.728 62.300 -0.033 0.000 1.026 355 V CB 0.841 32.623 31.823 -0.068 0.000 1.128 355 V HN 0.128 nan 8.190 nan 0.000 0.452 356 A N 0.624 123.391 122.820 -0.089 0.000 2.067 356 A HA -0.236 4.086 4.320 0.004 0.000 0.218 356 A C 1.601 179.162 177.584 -0.039 0.000 1.395 356 A CA 2.836 54.833 52.037 -0.068 0.000 0.821 356 A CB -0.853 18.095 19.000 -0.087 0.000 0.822 356 A HN 0.997 nan 8.150 nan 0.000 0.502 357 E N -2.639 117.538 120.200 -0.038 0.000 2.601 357 E HA 0.406 4.758 4.350 0.004 0.000 0.219 357 E C 0.672 177.258 176.600 -0.022 0.000 0.964 357 E CA 0.795 57.180 56.400 -0.025 0.000 1.050 357 E CB 0.969 30.655 29.700 -0.023 0.000 1.068 357 E HN 1.172 nan 8.360 nan 0.000 0.496 358 G N -0.117 108.666 108.800 -0.028 0.000 2.163 358 G HA2 -0.348 3.614 3.960 0.004 0.000 0.213 358 G HA3 -0.348 3.614 3.960 0.004 0.000 0.213 358 G C 1.265 176.153 174.900 -0.020 0.000 0.991 358 G CA 0.491 45.577 45.100 -0.023 0.000 0.653 358 G HN 0.403 nan 8.290 nan 0.000 0.518 359 R N 0.465 120.949 120.500 -0.026 0.000 2.057 359 R HA 0.159 4.502 4.340 0.004 0.000 0.229 359 R C 1.172 177.460 176.300 -0.021 0.000 1.136 359 R CA 1.820 57.906 56.100 -0.023 0.000 0.952 359 R CB -0.853 29.430 30.300 -0.028 0.000 0.848 359 R HN 0.372 nan 8.270 nan 0.000 0.430 360 D N 2.234 122.615 120.400 -0.030 0.000 2.455 360 D HA 0.132 4.774 4.640 0.004 0.000 0.234 360 D C -1.020 175.284 176.300 0.007 0.000 1.224 360 D CA -0.150 53.839 54.000 -0.018 0.000 0.999 360 D CB 0.266 41.039 40.800 -0.045 0.000 1.072 360 D HN 0.272 nan 8.370 nan 0.000 0.514 361 D N 1.650 122.060 120.400 0.017 0.000 2.536 361 D HA -0.048 4.594 4.640 0.004 0.000 0.260 361 D C 0.067 176.426 176.300 0.098 0.000 1.270 361 D CA 0.109 54.129 54.000 0.034 0.000 0.934 361 D CB 0.245 41.053 40.800 0.013 0.000 1.129 361 D HN 0.231 nan 8.370 nan 0.000 0.533 362 L N 4.616 125.900 121.223 0.103 0.000 2.343 362 L HA 0.450 4.793 4.340 0.004 0.000 0.275 362 L C -0.771 176.230 176.870 0.218 0.000 1.056 362 L CA -0.509 54.429 54.840 0.164 0.000 0.804 362 L CB 0.808 42.918 42.059 0.085 0.000 1.203 362 L HN 0.301 nan 8.230 nan 0.000 0.440 363 Y N 1.798 122.099 120.300 0.003 0.000 2.644 363 Y HA 0.732 5.284 4.550 0.004 0.000 0.338 363 Y C -1.315 174.578 175.900 -0.012 0.000 1.119 363 Y CA -1.758 56.333 58.100 -0.015 0.000 1.060 363 Y CB 0.706 39.172 38.460 0.011 0.000 1.294 363 Y HN 0.193 nan 8.280 nan 0.000 0.472 364 V N 2.684 122.497 119.914 -0.168 0.000 2.368 364 V HA 0.183 4.305 4.120 0.004 0.000 0.266 364 V C 0.691 176.698 176.094 -0.144 0.000 1.045 364 V CA 0.251 62.424 62.300 -0.212 0.000 0.899 364 V CB 0.419 32.118 31.823 -0.206 0.000 1.006 364 V HN 1.044 nan 8.190 nan 0.000 0.470 365 S N 3.062 118.579 115.700 -0.306 0.000 2.344 365 S HA -0.073 4.400 4.470 0.004 0.000 0.217 365 S C 0.672 175.292 174.600 0.032 0.000 1.033 365 S CA 1.340 59.428 58.200 -0.186 0.000 1.017 365 S CB 0.002 63.058 63.200 -0.241 0.000 0.941 365 S HN 0.917 nan 8.310 nan 0.000 0.430 366 D N -1.940 118.472 120.400 0.019 0.000 2.652 366 D HA 0.667 5.309 4.640 0.004 0.000 0.285 366 D C -1.804 174.462 176.300 -0.057 0.000 1.173 366 D CA -0.415 53.538 54.000 -0.079 0.000 0.981 366 D CB 2.101 42.737 40.800 -0.273 0.000 1.440 366 D HN 0.202 nan 8.370 nan 0.000 0.485 367 A N 1.396 124.061 122.820 -0.259 0.000 2.530 367 A HA 0.558 4.880 4.320 0.004 0.000 0.279 367 A C -1.608 175.852 177.584 -0.206 0.000 1.109 367 A CA -0.553 51.459 52.037 -0.042 0.000 0.763 367 A CB -0.049 19.140 19.000 0.315 0.000 1.257 367 A HN 0.266 nan 8.150 nan 0.000 0.424 368 F N 1.194 121.230 119.950 0.143 0.000 2.421 368 F HA 0.623 5.152 4.527 0.004 0.000 0.337 368 F C 0.469 176.338 175.800 0.115 0.000 1.105 368 F CA -0.045 58.025 58.000 0.117 0.000 1.049 368 F CB 1.699 40.762 39.000 0.105 0.000 1.139 368 F HN 0.730 nan 8.300 nan 0.000 0.479 369 H N 2.091 121.193 119.070 0.054 0.000 2.667 369 H HA 0.557 5.115 4.556 0.004 0.000 0.353 369 H C -1.438 173.815 175.328 -0.124 0.000 1.072 369 H CA -0.982 55.018 56.048 -0.079 0.000 1.214 369 H CB 1.602 31.198 29.762 -0.278 0.000 1.600 369 H HN 0.624 nan 8.280 nan 0.000 0.527 370 K N 3.908 124.025 120.400 -0.473 0.000 2.513 370 K HA 0.799 5.122 4.320 0.004 0.000 0.251 370 K C -1.998 174.507 176.600 -0.159 0.000 0.939 370 K CA -0.575 55.597 56.287 -0.192 0.000 0.793 370 K CB 1.651 34.169 32.500 0.031 0.000 1.241 370 K HN 0.650 nan 8.250 nan 0.000 0.431 371 A N 3.331 126.211 122.820 0.100 0.000 2.454 371 A HA 0.815 5.137 4.320 0.004 0.000 0.302 371 A C -1.957 175.948 177.584 0.535 0.000 1.079 371 A CA -0.638 51.596 52.037 0.329 0.000 0.731 371 A CB 0.980 20.178 19.000 0.331 0.000 1.299 371 A HN 0.623 nan 8.150 nan 0.000 0.413 372 F N 1.235 121.405 119.950 0.368 0.000 2.562 372 F HA 0.631 5.160 4.527 0.003 0.000 0.319 372 F C -1.264 174.413 175.800 -0.205 0.000 1.154 372 F CA -0.789 57.308 58.000 0.162 0.000 0.931 372 F CB 1.906 41.059 39.000 0.255 0.000 1.198 372 F HN 0.529 nan 8.300 nan 0.000 0.444 373 L N 5.656 126.528 121.223 -0.584 0.000 2.333 373 L HA 0.552 4.894 4.340 0.004 0.000 0.280 373 L C -1.041 175.548 176.870 -0.469 0.000 1.004 373 L CA -0.091 54.274 54.840 -0.792 0.000 0.820 373 L CB 1.600 42.741 42.059 -1.530 0.000 1.247 373 L HN 0.679 nan 8.230 nan 0.000 0.416 374 E N 3.601 123.609 120.200 -0.319 0.000 2.176 374 E HA 0.618 4.970 4.350 0.004 0.000 0.267 374 E C -1.785 174.590 176.600 -0.375 0.000 0.893 374 E CA -0.675 55.594 56.400 -0.217 0.000 0.761 374 E CB 1.908 31.637 29.700 0.049 0.000 1.133 374 E HN 0.495 nan 8.360 nan 0.000 0.409 375 V N 5.495 125.101 119.914 -0.514 0.000 2.577 375 V HA 0.408 4.531 4.120 0.004 0.000 0.303 375 V C -0.405 175.541 176.094 -0.246 0.000 1.042 375 V CA -0.632 61.383 62.300 -0.474 0.000 0.872 375 V CB 1.563 32.873 31.823 -0.856 0.000 0.998 375 V HN 0.830 nan 8.190 nan 0.000 0.423 376 N N 3.032 121.719 118.700 -0.022 0.000 3.506 376 N HA 0.292 5.034 4.740 0.004 0.000 0.331 376 N C 0.471 176.132 175.510 0.252 0.000 1.631 376 N CA -0.683 52.403 53.050 0.060 0.000 0.786 376 N CB 0.769 39.270 38.487 0.023 0.000 2.023 376 N HN 0.205 nan 8.380 nan 0.000 0.621 377 E N -0.666 119.664 120.200 0.217 0.000 2.267 377 E HA -0.122 4.230 4.350 0.004 0.000 0.197 377 E C 0.136 177.056 176.600 0.533 0.000 0.998 377 E CA 1.817 58.424 56.400 0.345 0.000 0.830 377 E CB -0.045 29.798 29.700 0.239 0.000 0.751 377 E HN 0.775 nan 8.360 nan 0.000 0.491 378 E N -3.036 117.428 120.200 0.440 0.000 2.614 378 E HA 0.145 4.497 4.350 0.004 0.000 0.192 378 E C 0.553 177.235 176.600 0.136 0.000 0.930 378 E CA 0.193 56.844 56.400 0.419 0.000 1.346 378 E CB 0.077 29.930 29.700 0.256 0.000 1.252 378 E HN 0.055 nan 8.360 nan 0.000 0.647 379 G N 2.486 111.271 108.800 -0.026 0.000 2.333 379 G HA2 -0.321 3.642 3.960 0.004 0.000 0.296 379 G HA3 -0.321 3.642 3.960 0.004 0.000 0.296 379 G C 0.125 174.955 174.900 -0.116 0.000 1.059 379 G CA 0.507 45.481 45.100 -0.209 0.000 1.050 379 G HN 0.581 nan 8.290 nan 0.000 0.508 380 S N -0.813 114.863 115.700 -0.040 0.000 2.531 380 S HA 0.655 5.128 4.470 0.004 0.000 0.279 380 S C 0.645 175.222 174.600 -0.038 0.000 1.305 380 S CA 0.095 58.284 58.200 -0.018 0.000 1.058 380 S CB 2.460 65.669 63.200 0.015 0.000 0.899 380 S HN 0.466 nan 8.310 nan 0.000 0.493 381 E N 0.457 120.633 120.200 -0.039 0.000 2.581 381 E HA 0.184 4.536 4.350 0.004 0.000 0.195 381 E C 0.885 177.463 176.600 -0.037 0.000 0.936 381 E CA 0.421 56.794 56.400 -0.045 0.000 1.387 381 E CB 0.560 30.223 29.700 -0.062 0.000 1.424 381 E HN 0.751 nan 8.360 nan 0.000 0.742 382 A N 0.865 123.670 122.820 -0.025 0.000 2.042 382 A HA 0.650 4.972 4.320 0.004 0.000 0.204 382 A C 1.092 178.671 177.584 -0.008 0.000 1.712 382 A CA 0.724 52.750 52.037 -0.018 0.000 0.890 382 A CB -0.114 18.877 19.000 -0.015 0.000 1.176 382 A HN 0.110 nan 8.150 nan 0.000 0.573 383 A N -0.635 122.185 122.820 0.001 0.000 2.304 383 A HA 0.609 4.931 4.320 0.004 0.000 0.271 383 A C 1.223 178.813 177.584 0.010 0.000 1.091 383 A CA 0.311 52.354 52.037 0.009 0.000 0.812 383 A CB 0.421 19.433 19.000 0.020 0.000 1.056 383 A HN 1.252 nan 8.150 nan 0.000 0.489 384 A N 0.585 123.412 122.820 0.012 0.000 2.021 384 A HA 0.432 4.754 4.320 0.004 0.000 0.216 384 A C 1.080 178.677 177.584 0.023 0.000 1.163 384 A CA 1.552 53.596 52.037 0.012 0.000 0.676 384 A CB -0.497 18.509 19.000 0.009 0.000 0.818 384 A HN 2.094 nan 8.150 nan 0.000 0.453 385 S N -3.861 111.857 115.700 0.029 0.000 2.656 385 S HA 0.610 5.083 4.470 0.004 0.000 0.265 385 S C -0.791 173.837 174.600 0.047 0.000 1.132 385 S CA -0.134 58.091 58.200 0.042 0.000 0.819 385 S CB 1.067 64.290 63.200 0.038 0.000 1.119 385 S HN 0.329 nan 8.310 nan 0.000 0.476 386 T N 0.164 114.753 114.554 0.058 0.000 2.957 386 T HA 0.804 5.156 4.350 0.004 0.000 0.336 386 T C -1.109 173.629 174.700 0.064 0.000 1.462 386 T CA 0.001 62.136 62.100 0.059 0.000 1.073 386 T CB 1.463 70.373 68.868 0.069 0.000 1.319 386 T HN 1.532 nan 8.240 nan 0.000 0.485 387 A N 1.469 124.321 122.820 0.053 0.000 2.479 387 A HA 0.963 5.285 4.320 0.004 0.000 0.296 387 A C -0.717 176.894 177.584 0.045 0.000 1.121 387 A CA -0.787 51.283 52.037 0.054 0.000 0.743 387 A CB 1.436 20.463 19.000 0.045 0.000 1.323 387 A HN 1.270 nan 8.150 nan 0.000 0.415 388 V N -1.248 118.692 119.914 0.043 0.000 2.555 388 V HA 0.844 4.966 4.120 0.004 0.000 0.302 388 V C -0.882 175.226 176.094 0.022 0.000 1.038 388 V CA -0.638 61.679 62.300 0.027 0.000 0.887 388 V CB 1.334 33.167 31.823 0.016 0.000 0.991 388 V HN 0.727 nan 8.190 nan 0.000 0.434 389 V N 6.317 126.238 119.914 0.012 0.000 2.340 389 V HA 0.443 4.566 4.120 0.004 0.000 0.277 389 V C -0.175 175.919 176.094 0.001 0.000 1.017 389 V CA -0.197 62.109 62.300 0.010 0.000 0.820 389 V CB 1.044 32.873 31.823 0.010 0.000 1.028 389 V HN 0.813 nan 8.190 nan 0.000 0.436 390 I N 3.987 124.557 120.570 0.001 0.000 2.337 390 I HA 0.683 4.856 4.170 0.004 0.000 0.285 390 I C 0.489 176.604 176.117 -0.003 0.000 1.041 390 I CA -0.263 61.032 61.300 -0.008 0.000 1.199 390 I CB 1.311 39.302 38.000 -0.015 0.000 1.370 390 I HN 0.547 nan 8.210 nan 0.000 0.470 391 A N 4.054 126.871 122.820 -0.005 0.000 2.312 391 A HA 0.756 5.079 4.320 0.004 0.000 0.326 391 A C 0.962 178.542 177.584 -0.007 0.000 1.172 391 A CA 0.157 52.192 52.037 -0.003 0.000 0.821 391 A CB 1.148 20.147 19.000 -0.001 0.000 1.166 391 A HN 1.130 nan 8.150 nan 0.000 0.493 392 G N 0.425 109.222 108.800 -0.005 0.000 2.141 392 G HA2 -0.205 3.757 3.960 0.004 0.000 0.242 392 G HA3 -0.205 3.757 3.960 0.004 0.000 0.242 392 G C 0.266 175.160 174.900 -0.010 0.000 0.982 392 G CA 0.527 45.623 45.100 -0.008 0.000 0.662 392 G HN 1.110 nan 8.290 nan 0.000 0.527 393 R N -0.197 120.297 120.500 -0.010 0.000 2.474 393 R HA 0.690 5.032 4.340 0.004 0.000 0.295 393 R C -0.600 175.696 176.300 -0.007 0.000 0.980 393 R CA 0.121 56.213 56.100 -0.013 0.000 0.934 393 R CB 1.427 31.716 30.300 -0.018 0.000 1.101 393 R HN 0.381 nan 8.270 nan 0.000 0.469 394 S N 5.447 121.142 115.700 -0.008 0.000 2.609 394 S HA 0.333 4.805 4.470 0.004 0.000 0.250 394 S C -0.945 173.651 174.600 -0.007 0.000 1.112 394 S CA -0.788 57.410 58.200 -0.004 0.000 1.102 394 S CB 0.398 63.597 63.200 -0.002 0.000 1.124 394 S HN 0.563 nan 8.310 nan 0.000 0.460 395 L N 3.087 124.306 121.223 -0.006 0.000 2.416 395 L HA 0.543 4.886 4.340 0.004 0.000 0.262 395 L C 0.828 177.695 176.870 -0.005 0.000 1.093 395 L CA -1.142 53.692 54.840 -0.010 0.000 0.801 395 L CB 0.477 42.527 42.059 -0.015 0.000 1.191 395 L HN 0.654 nan 8.230 nan 0.000 0.459 396 N N 1.545 120.240 118.700 -0.008 0.000 2.454 396 N HA 0.023 4.765 4.740 0.004 0.000 0.260 396 N C -1.908 173.602 175.510 0.000 0.000 1.218 396 N CA -0.969 52.078 53.050 -0.004 0.000 0.904 396 N CB 0.909 39.392 38.487 -0.006 0.000 1.065 396 N HN 0.237 nan 8.380 nan 0.000 0.462 397 P HA -0.112 nan 4.420 nan 0.000 0.216 397 P C -0.553 176.751 177.300 0.008 0.000 1.153 397 P CA 1.532 64.636 63.100 0.008 0.000 0.858 397 P CB 0.029 31.733 31.700 0.007 0.000 0.789 398 N N -0.120 118.583 118.700 0.005 0.000 3.209 398 N HA 0.074 4.816 4.740 0.004 0.000 0.309 398 N C 0.157 175.667 175.510 -0.000 0.000 1.384 398 N CA -0.410 52.642 53.050 0.004 0.000 1.173 398 N CB -0.138 38.352 38.487 0.005 0.000 1.460 398 N HN 0.211 nan 8.380 nan 0.000 0.534 399 R N -0.821 119.676 120.500 -0.004 0.000 2.536 399 R HA 0.458 4.800 4.340 0.004 0.000 0.279 399 R C -0.334 175.948 176.300 -0.030 0.000 1.001 399 R CA -0.570 55.519 56.100 -0.019 0.000 1.027 399 R CB 0.716 31.000 30.300 -0.026 0.000 1.096 399 R HN -0.121 nan 8.270 nan 0.000 0.502 400 V N 1.221 121.097 119.914 -0.064 0.000 3.096 400 V HA 0.122 4.244 4.120 0.004 0.000 0.306 400 V C 0.042 176.069 176.094 -0.110 0.000 1.088 400 V CA 0.603 62.846 62.300 -0.095 0.000 1.129 400 V CB 1.574 33.299 31.823 -0.163 0.000 1.014 400 V HN 0.934 nan 8.190 nan 0.000 0.486 401 T N 4.420 118.933 114.554 -0.069 0.000 2.928 401 T HA 0.454 4.806 4.350 0.004 0.000 0.296 401 T C -1.359 173.367 174.700 0.043 0.000 1.000 401 T CA -0.379 61.721 62.100 -0.001 0.000 0.989 401 T CB 0.593 69.500 68.868 0.065 0.000 1.005 401 T HN 0.435 nan 8.240 nan 0.000 0.442 402 F N 5.323 125.217 119.950 -0.095 0.000 2.375 402 F HA 0.634 5.162 4.527 0.003 0.000 0.361 402 F C -0.111 175.694 175.800 0.008 0.000 1.117 402 F CA -0.727 57.233 58.000 -0.067 0.000 1.037 402 F CB 0.726 39.646 39.000 -0.133 0.000 1.192 402 F HN 0.400 nan 8.300 nan 0.000 0.452 403 K N 5.567 125.790 120.400 -0.295 0.000 2.575 403 K HA 0.600 4.923 4.320 0.004 0.000 0.236 403 K C -0.921 175.454 176.600 -0.375 0.000 0.976 403 K CA -0.640 55.524 56.287 -0.206 0.000 0.985 403 K CB 1.150 33.497 32.500 -0.255 0.000 1.198 403 K HN 0.682 nan 8.250 nan 0.000 0.464 404 A N 4.348 126.962 122.820 -0.343 0.000 2.906 404 A HA 0.074 4.396 4.320 0.004 0.000 0.289 404 A C 0.193 177.737 177.584 -0.067 0.000 1.675 404 A CA -0.393 51.446 52.037 -0.331 0.000 1.372 404 A CB -0.547 18.084 19.000 -0.615 0.000 1.091 404 A HN 0.818 nan 8.150 nan 0.000 0.579 405 N N 1.895 120.470 118.700 -0.210 0.000 2.282 405 N HA 0.091 4.833 4.740 0.004 0.000 0.240 405 N C -0.111 174.938 175.510 -0.768 0.000 1.182 405 N CA -0.352 52.499 53.050 -0.332 0.000 0.874 405 N CB 0.183 38.608 38.487 -0.103 0.000 1.126 405 N HN 0.742 nan 8.380 nan 0.000 0.516 406 R N -1.647 118.379 120.500 -0.791 0.000 2.663 406 R HA 0.505 4.847 4.340 0.004 0.000 0.267 406 R C -3.370 172.811 176.300 -0.198 0.000 1.038 406 R CA -1.311 54.415 56.100 -0.623 0.000 0.886 406 R CB 0.261 30.420 30.300 -0.235 0.000 1.249 406 R HN -0.246 nan 8.270 nan 0.000 0.463 407 P HA -0.083 nan 4.420 nan 0.000 0.267 407 P C -1.064 176.391 177.300 0.257 0.000 1.175 407 P CA 0.589 63.807 63.100 0.197 0.000 0.763 407 P CB 0.059 31.829 31.700 0.116 0.000 0.795 408 F N -0.956 119.048 119.950 0.091 0.000 2.678 408 F HA 0.544 5.074 4.527 0.004 0.000 0.308 408 F C -1.711 174.133 175.800 0.075 0.000 1.118 408 F CA -1.460 56.590 58.000 0.084 0.000 0.959 408 F CB 0.588 39.647 39.000 0.099 0.000 1.305 408 F HN -0.033 nan 8.300 nan 0.000 0.443 409 L N 2.693 124.078 121.223 0.270 0.000 2.399 409 L HA 0.754 5.096 4.340 0.004 0.000 0.266 409 L C -0.546 176.433 176.870 0.182 0.000 1.114 409 L CA -1.260 53.638 54.840 0.097 0.000 0.804 409 L CB 1.525 43.641 42.059 0.095 0.000 1.146 409 L HN 0.584 nan 8.230 nan 0.000 0.451 410 V N 2.184 122.062 119.914 -0.061 0.000 2.588 410 V HA 0.491 4.613 4.120 0.004 0.000 0.304 410 V C -0.866 175.130 176.094 -0.164 0.000 1.042 410 V CA -0.500 61.867 62.300 0.112 0.000 0.877 410 V CB 1.766 33.727 31.823 0.231 0.000 0.996 410 V HN 0.389 nan 8.190 nan 0.000 0.425 411 F N 4.186 124.308 119.950 0.287 0.000 2.557 411 F HA 0.634 5.163 4.527 0.003 0.000 0.316 411 F C -0.191 175.781 175.800 0.286 0.000 1.141 411 F CA -0.471 57.676 58.000 0.245 0.000 0.922 411 F CB 1.860 40.964 39.000 0.173 0.000 1.194 411 F HN 0.231 nan 8.300 nan 0.000 0.443 412 I N 4.829 125.683 120.570 0.473 0.000 2.362 412 I HA 0.572 4.744 4.170 0.004 0.000 0.289 412 I C -0.572 175.732 176.117 0.311 0.000 0.994 412 I CA -0.625 60.926 61.300 0.419 0.000 1.158 412 I CB 1.529 39.799 38.000 0.450 0.000 1.315 412 I HN 0.654 nan 8.210 nan 0.000 0.451 413 R N 4.308 124.970 120.500 0.269 0.000 2.808 413 R HA 0.520 4.862 4.340 0.004 0.000 0.272 413 R C -0.985 175.420 176.300 0.175 0.000 0.995 413 R CA -0.943 55.270 56.100 0.189 0.000 0.917 413 R CB 1.817 32.217 30.300 0.167 0.000 1.217 413 R HN 0.351 nan 8.270 nan 0.000 0.471 414 E N 1.546 121.825 120.200 0.132 0.000 2.289 414 E HA 0.070 4.422 4.350 0.004 0.000 0.278 414 E C 0.515 177.187 176.600 0.120 0.000 1.032 414 E CA -0.191 56.286 56.400 0.128 0.000 0.854 414 E CB 1.684 31.446 29.700 0.103 0.000 1.046 414 E HN 0.525 nan 8.360 nan 0.000 0.409 415 V N 6.893 126.880 119.914 0.121 0.000 2.229 415 V HA -0.172 3.950 4.120 0.004 0.000 0.243 415 V C -0.980 175.168 176.094 0.089 0.000 1.042 415 V CA 1.727 64.090 62.300 0.105 0.000 1.000 415 V CB -1.400 30.484 31.823 0.102 0.000 0.637 415 V HN 0.643 nan 8.190 nan 0.000 0.446 416 P HA -0.186 nan 4.420 nan 0.000 0.214 416 P C 1.908 179.260 177.300 0.087 0.000 1.169 416 P CA 1.506 64.646 63.100 0.068 0.000 0.908 416 P CB -0.134 31.600 31.700 0.056 0.000 0.791 417 L N -1.677 119.609 121.223 0.104 0.000 2.156 417 L HA 0.068 4.410 4.340 0.004 0.000 0.208 417 L C 0.710 177.669 176.870 0.148 0.000 1.095 417 L CA 1.557 56.487 54.840 0.149 0.000 0.770 417 L CB -0.939 41.200 42.059 0.134 0.000 0.914 417 L HN 0.043 nan 8.230 nan 0.000 0.439 418 N N -0.708 118.057 118.700 0.109 0.000 2.937 418 N HA -0.153 4.589 4.740 0.004 0.000 0.248 418 N C -0.259 175.292 175.510 0.068 0.000 1.069 418 N CA 0.920 54.022 53.050 0.087 0.000 0.822 418 N CB -1.451 37.086 38.487 0.082 0.000 1.122 418 N HN 0.306 nan 8.380 nan 0.000 0.554 419 T N 1.549 116.147 114.554 0.073 0.000 2.834 419 T HA 0.293 4.645 4.350 0.004 0.000 0.298 419 T C 1.126 175.869 174.700 0.072 0.000 0.966 419 T CA -0.014 62.120 62.100 0.058 0.000 1.141 419 T CB 0.563 69.460 68.868 0.049 0.000 0.905 419 T HN 0.092 nan 8.240 nan 0.000 0.535 420 I N 5.028 125.647 120.570 0.081 0.000 2.406 420 I HA 0.132 4.304 4.170 0.004 0.000 0.293 420 I C 1.232 177.388 176.117 0.064 0.000 1.101 420 I CA 0.075 61.452 61.300 0.128 0.000 1.334 420 I CB 0.289 38.399 38.000 0.183 0.000 1.421 420 I HN 0.710 nan 8.210 nan 0.000 0.513 421 I N 5.410 125.983 120.570 0.005 0.000 2.494 421 I HA 0.054 4.226 4.170 0.004 0.000 0.250 421 I C 0.059 175.899 176.117 -0.462 0.000 1.112 421 I CA 0.915 62.068 61.300 -0.245 0.000 1.438 421 I CB 0.208 38.027 38.000 -0.302 0.000 1.111 421 I HN 0.306 nan 8.210 nan 0.000 0.431 422 F N 0.847 120.819 119.950 0.036 0.000 2.588 422 F HA 0.578 5.107 4.527 0.004 0.000 0.310 422 F C -0.172 175.643 175.800 0.024 0.000 1.082 422 F CA -0.952 57.013 58.000 -0.059 0.000 0.929 422 F CB 1.737 40.690 39.000 -0.077 0.000 1.254 422 F HN -0.240 nan 8.300 nan 0.000 0.455 423 M N 1.321 120.988 119.600 0.112 0.000 2.470 423 M HA 0.970 5.452 4.480 0.004 0.000 0.285 423 M C -1.114 175.201 176.300 0.025 0.000 1.213 423 M CA -0.338 54.936 55.300 -0.044 0.000 0.901 423 M CB 2.578 35.117 32.600 -0.102 0.000 1.718 423 M HN 0.757 nan 8.290 nan 0.000 0.469 424 G N 1.532 110.322 108.800 -0.016 0.000 2.548 424 G HA2 0.613 4.575 3.960 0.004 0.000 0.301 424 G HA3 0.613 4.575 3.960 0.004 0.000 0.301 424 G C -2.377 172.558 174.900 0.058 0.000 1.349 424 G CA -0.923 44.311 45.100 0.224 0.000 0.792 424 G HN 0.890 nan 8.290 nan 0.000 0.481 425 R N -0.109 120.439 120.500 0.079 0.000 2.533 425 R HA 0.532 4.875 4.340 0.004 0.000 0.288 425 R C -1.695 174.458 176.300 -0.245 0.000 1.039 425 R CA -0.486 55.573 56.100 -0.068 0.000 0.909 425 R CB 2.135 32.485 30.300 0.083 0.000 1.195 425 R HN 0.388 nan 8.270 nan 0.000 0.438 426 V N 4.538 124.107 119.914 -0.576 0.000 2.288 426 V HA 0.328 4.450 4.120 0.004 0.000 0.266 426 V C 0.838 176.627 176.094 -0.508 0.000 1.048 426 V CA 0.064 61.895 62.300 -0.781 0.000 0.842 426 V CB 0.819 31.740 31.823 -1.503 0.000 1.064 426 V HN 0.904 nan 8.190 nan 0.000 0.472 427 A N 4.418 127.074 122.820 -0.272 0.000 2.343 427 A HA 0.324 4.647 4.320 0.004 0.000 0.223 427 A C 0.709 178.234 177.584 -0.098 0.000 1.214 427 A CA 0.077 52.069 52.037 -0.075 0.000 0.900 427 A CB -0.021 18.954 19.000 -0.042 0.000 0.942 427 A HN 0.770 nan 8.150 nan 0.000 0.507 428 N N 0.065 118.558 118.700 -0.346 0.000 2.976 428 N HA 0.129 4.871 4.740 0.004 0.000 0.249 428 N C -3.140 172.086 175.510 -0.473 0.000 1.258 428 N CA -0.626 52.148 53.050 -0.460 0.000 0.864 428 N CB 1.557 39.918 38.487 -0.210 0.000 1.551 428 N HN -0.077 nan 8.380 nan 0.000 0.607 429 P HA 0.303 nan 4.420 nan 0.000 0.257 429 P C -0.472 176.693 177.300 -0.225 0.000 1.737 429 P CA -0.017 62.868 63.100 -0.358 0.000 1.130 429 P CB -0.382 31.097 31.700 -0.369 0.000 1.572 430 c N -0.842 117.631 118.600 -0.212 0.000 2.401 430 c HA 0.591 5.164 4.570 0.004 0.000 0.356 430 c C 1.346 175.394 174.090 -0.070 0.000 1.192 430 c CA -0.827 55.433 56.329 -0.116 0.000 2.028 430 c CB 1.218 43.669 42.510 -0.100 0.000 2.344 430 c HN 0.102 nan 8.230 nan 0.000 0.525 431 V N 0.000 119.890 119.914 -0.041 0.000 2.409 431 V HA 0.000 4.122 4.120 0.004 0.000 0.244 431 V CA 0.000 62.286 62.300 -0.024 0.000 1.235 431 V CB 0.000 31.816 31.823 -0.013 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556