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 3kal_1_B DATA FIRST_RESID 25 DATA SEQUENCE APPLFDYHRI DQKLLQNIVY DALVWSTLNC LLVGDKSVQR SGRVPGVGLV DATA SEQUENCE HLPLSLLPGP FPESHWKQGC ELAPIFNELV DRVSLDGKFL QESLSRTKNA DATA SEQUENCE DEFTSRLLDI HSKMLQINKK EDIRMGIVRS DYMIDEKTKS LLQIEMNTIS DATA SEQUENCE TSFALIGCLM TGLHKSLLSQ YGKFLGLNSN RVPANNAVDQ SAEALAKAWS DATA SEQUENCE EYNNPRAAIL VVVQVEERNM YEQHYISALL REKHHIRSIR KTLTEIDQEG DATA SEQUENCE KILPDGTLSV DGQAISVVYF RAGYTPKDYP SESEWRARLL MEQSSAIKCP DATA SEQUENCE TISYHLVGTK KIQQELAKPG VLERFVENKD HIAKLRACFA GLWSLEDSDI DATA SEQUENCE VKKAIENPEL FVMKPQREGG GNNIYGDELR ETLLKXXXXX XXEDAAYILM DATA SEQUENCE QRIFPATSPA ILVRDGNWDT GHVISEAGIF GTYLRNKDKI IINNESGYMV DATA SEQUENCE RTKISSSYEG GVLPGFGVVD TVYLT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.576 177.584 -0.014 0.000 1.274 25 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 25 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 26 P HA 0.481 nan 4.420 nan 0.000 0.276 26 P C -2.462 174.811 177.300 -0.046 0.000 1.253 26 P CA -0.361 62.722 63.100 -0.029 0.000 0.766 26 P CB 0.321 32.008 31.700 -0.021 0.000 0.845 27 P HA 0.142 nan 4.420 nan 0.000 0.285 27 P C -0.168 177.065 177.300 -0.110 0.000 1.282 27 P CA -0.511 62.538 63.100 -0.085 0.000 0.778 27 P CB 0.305 31.945 31.700 -0.099 0.000 1.222 28 L N -1.122 120.005 121.223 -0.160 0.000 2.439 28 L HA 0.282 4.621 4.340 -0.002 0.000 0.261 28 L C 0.526 177.269 176.870 -0.211 0.000 1.153 28 L CA -0.494 54.220 54.840 -0.211 0.000 0.808 28 L CB -0.633 41.223 42.059 -0.339 0.000 1.126 28 L HN 0.248 nan 8.230 nan 0.000 0.460 29 F N 2.024 121.803 119.950 -0.285 0.000 2.579 29 F HA -0.150 4.376 4.527 -0.001 0.000 0.397 29 F C 0.914 176.473 175.800 -0.401 0.000 1.027 29 F CA 0.161 58.021 58.000 -0.234 0.000 1.217 29 F CB 0.115 39.055 39.000 -0.101 0.000 0.986 29 F HN 0.468 nan 8.300 nan 0.000 0.551 30 D N 6.382 126.630 120.400 -0.255 0.000 2.346 30 D HA -0.055 4.584 4.640 -0.002 0.000 0.260 30 D C 0.542 176.885 176.300 0.070 0.000 1.252 30 D CA 0.225 54.096 54.000 -0.215 0.000 0.895 30 D CB 0.173 40.857 40.800 -0.193 0.000 1.097 30 D HN 0.611 nan 8.370 nan 0.000 0.489 31 Y N 2.139 122.460 120.300 0.035 0.000 2.639 31 Y HA -0.144 4.405 4.550 -0.001 0.000 0.297 31 Y C 1.542 177.517 175.900 0.125 0.000 1.151 31 Y CA 0.023 58.150 58.100 0.046 0.000 1.335 31 Y CB 0.222 38.651 38.460 -0.051 0.000 0.994 31 Y HN 0.523 nan 8.280 nan 0.000 0.548 32 H N -0.320 118.842 119.070 0.154 0.000 2.551 32 H HA 0.091 4.646 4.556 -0.002 0.000 0.266 32 H C 1.261 176.646 175.328 0.096 0.000 0.977 32 H CA 0.439 56.546 56.048 0.098 0.000 1.163 32 H CB 0.180 29.989 29.762 0.080 0.000 1.381 32 H HN 0.245 nan 8.280 nan 0.000 0.581 33 R N 0.361 120.999 120.500 0.230 0.000 2.509 33 R HA 0.255 4.594 4.340 -0.002 0.000 0.300 33 R C 0.248 176.690 176.300 0.237 0.000 0.985 33 R CA -0.249 55.952 56.100 0.168 0.000 1.092 33 R CB 0.359 30.686 30.300 0.046 0.000 1.237 33 R HN 0.212 nan 8.270 nan 0.000 0.546 34 I N 2.556 123.271 120.570 0.241 0.000 2.648 34 I HA -0.086 4.083 4.170 -0.002 0.000 0.284 34 I C 0.750 176.873 176.117 0.011 0.000 1.153 34 I CA -0.318 61.054 61.300 0.121 0.000 1.426 34 I CB 0.302 38.258 38.000 -0.073 0.000 1.381 34 I HN 0.027 nan 8.210 nan 0.000 0.571 35 D N 5.590 125.985 120.400 -0.007 0.000 2.629 35 D HA -0.138 4.501 4.640 -0.002 0.000 0.228 35 D C 1.003 177.252 176.300 -0.085 0.000 1.127 35 D CA 0.386 54.362 54.000 -0.041 0.000 0.855 35 D CB 0.899 41.664 40.800 -0.058 0.000 1.180 35 D HN 0.436 nan 8.370 nan 0.000 0.484 36 Q N 2.629 122.403 119.800 -0.043 0.000 2.135 36 Q HA -0.219 4.120 4.340 -0.002 0.000 0.204 36 Q C 1.809 177.765 176.000 -0.074 0.000 0.981 36 Q CA 1.819 57.601 55.803 -0.035 0.000 0.856 36 Q CB -0.152 28.616 28.738 0.050 0.000 0.902 36 Q HN 0.778 nan 8.270 nan 0.000 0.425 37 K N -0.022 120.331 120.400 -0.079 0.000 2.098 37 K HA -0.102 4.217 4.320 -0.002 0.000 0.203 37 K C 2.098 178.603 176.600 -0.158 0.000 1.051 37 K CA 0.541 56.772 56.287 -0.094 0.000 0.957 37 K CB -0.382 32.074 32.500 -0.073 0.000 0.738 37 K HN 0.019 nan 8.250 nan 0.000 0.447 38 L N 1.812 122.914 121.223 -0.202 0.000 1.997 38 L HA -0.191 4.148 4.340 -0.002 0.000 0.216 38 L C 2.239 178.887 176.870 -0.369 0.000 1.074 38 L CA 1.643 56.307 54.840 -0.293 0.000 0.763 38 L CB -0.858 41.005 42.059 -0.327 0.000 0.890 38 L HN 0.428 nan 8.230 nan 0.000 0.434 39 L N -0.737 120.275 121.223 -0.352 0.000 2.083 39 L HA -0.241 4.098 4.340 -0.002 0.000 0.209 39 L C 2.494 179.099 176.870 -0.442 0.000 1.083 39 L CA 1.801 56.360 54.840 -0.469 0.000 0.752 39 L CB -0.651 41.071 42.059 -0.561 0.000 0.899 39 L HN 0.463 nan 8.230 nan 0.000 0.433 40 Q N -0.800 118.835 119.800 -0.275 0.000 2.124 40 Q HA -0.184 4.155 4.340 -0.002 0.000 0.202 40 Q C 1.988 177.928 176.000 -0.101 0.000 0.977 40 Q CA 1.575 57.301 55.803 -0.129 0.000 0.850 40 Q CB -0.119 28.611 28.738 -0.013 0.000 0.901 40 Q HN 0.564 nan 8.270 nan 0.000 0.429 41 N N 0.523 119.133 118.700 -0.150 0.000 2.069 41 N HA -0.149 4.590 4.740 -0.002 0.000 0.191 41 N C 1.749 177.183 175.510 -0.126 0.000 1.031 41 N CA 1.205 54.202 53.050 -0.089 0.000 0.852 41 N CB -0.220 38.230 38.487 -0.063 0.000 1.018 41 N HN 0.284 nan 8.380 nan 0.000 0.423 42 I N 0.235 120.535 120.570 -0.450 0.000 2.179 42 I HA -0.207 3.962 4.170 -0.002 0.000 0.242 42 I C 2.127 178.120 176.117 -0.207 0.000 1.088 42 I CA 0.814 61.808 61.300 -0.510 0.000 1.357 42 I CB -0.484 37.096 38.000 -0.701 0.000 1.051 42 I HN -0.091 nan 8.210 nan 0.000 0.409 43 V N 0.417 120.204 119.914 -0.211 0.000 2.295 43 V HA -0.331 3.788 4.120 -0.002 0.000 0.246 43 V C 2.380 178.473 176.094 -0.002 0.000 1.049 43 V CA 2.146 64.375 62.300 -0.119 0.000 1.024 43 V CB -0.810 30.945 31.823 -0.114 0.000 0.648 43 V HN 0.410 nan 8.190 nan 0.000 0.447 44 Y N 1.285 121.549 120.300 -0.060 0.000 2.181 44 Y HA -0.257 4.292 4.550 -0.002 0.000 0.288 44 Y C 2.377 178.288 175.900 0.019 0.000 1.146 44 Y CA 2.115 60.209 58.100 -0.010 0.000 1.164 44 Y CB -0.295 38.168 38.460 0.005 0.000 0.982 44 Y HN 0.319 nan 8.280 nan 0.000 0.515 45 D N 0.212 120.741 120.400 0.215 0.000 2.104 45 D HA -0.210 4.429 4.640 -0.002 0.000 0.194 45 D C 2.318 178.674 176.300 0.094 0.000 0.994 45 D CA 1.561 55.674 54.000 0.189 0.000 0.830 45 D CB -0.701 40.284 40.800 0.308 0.000 0.959 45 D HN 0.491 nan 8.370 nan 0.000 0.452 46 A N 0.637 123.476 122.820 0.032 0.000 1.908 46 A HA -0.171 4.148 4.320 -0.002 0.000 0.218 46 A C 2.405 179.977 177.584 -0.020 0.000 1.181 46 A CA 1.182 53.218 52.037 -0.001 0.000 0.627 46 A CB -0.851 18.108 19.000 -0.069 0.000 0.818 46 A HN 0.244 nan 8.150 nan 0.000 0.445 47 L N -0.786 120.356 121.223 -0.135 0.000 2.046 47 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 47 L C 2.528 179.309 176.870 -0.148 0.000 1.077 47 L CA 1.052 55.767 54.840 -0.208 0.000 0.747 47 L CB -0.675 41.227 42.059 -0.263 0.000 0.896 47 L HN 0.246 nan 8.230 nan 0.000 0.432 48 V N -1.067 118.733 119.914 -0.191 0.000 2.270 48 V HA -0.295 3.824 4.120 -0.002 0.000 0.245 48 V C 2.141 178.224 176.094 -0.018 0.000 1.043 48 V CA 1.969 64.177 62.300 -0.153 0.000 1.014 48 V CB -0.640 31.081 31.823 -0.170 0.000 0.645 48 V HN 0.561 nan 8.190 nan 0.000 0.447 49 W N 1.060 122.304 121.300 -0.094 0.000 2.304 49 W HA -0.281 4.378 4.660 -0.001 0.000 0.315 49 W C 2.820 179.299 176.519 -0.067 0.000 1.233 49 W CA 2.405 59.714 57.345 -0.061 0.000 1.261 49 W CB -0.258 29.179 29.460 -0.038 0.000 1.150 49 W HN 0.164 nan 8.180 nan 0.000 0.494 50 S N -0.566 115.296 115.700 0.271 0.000 2.370 50 S HA -0.241 4.228 4.470 -0.002 0.000 0.226 50 S C 1.595 176.183 174.600 -0.020 0.000 1.033 50 S CA 2.047 60.358 58.200 0.185 0.000 1.011 50 S CB -0.908 62.379 63.200 0.145 0.000 0.852 50 S HN 0.365 nan 8.310 nan 0.000 0.457 51 T N 2.651 117.170 114.554 -0.059 0.000 2.770 51 T HA 0.128 4.477 4.350 -0.002 0.000 0.263 51 T C 1.785 176.387 174.700 -0.162 0.000 1.039 51 T CA 0.808 62.851 62.100 -0.096 0.000 1.142 51 T CB -0.397 68.419 68.868 -0.086 0.000 0.868 51 T HN 0.242 nan 8.240 nan 0.000 0.435 52 L N 1.165 122.257 121.223 -0.218 0.000 2.191 52 L HA -0.024 4.315 4.340 -0.002 0.000 0.212 52 L C 1.726 178.390 176.870 -0.344 0.000 1.103 52 L CA 0.969 55.648 54.840 -0.269 0.000 0.769 52 L CB -0.357 41.522 42.059 -0.301 0.000 0.908 52 L HN 0.285 nan 8.230 nan 0.000 0.438 53 N N -1.383 117.040 118.700 -0.461 0.000 2.235 53 N HA 0.050 4.789 4.740 -0.002 0.000 0.231 53 N C 0.240 175.584 175.510 -0.277 0.000 1.177 53 N CA 0.083 52.827 53.050 -0.509 0.000 0.874 53 N CB 0.766 38.552 38.487 -1.167 0.000 1.097 53 N HN 0.174 nan 8.380 nan 0.000 0.518 54 C N 1.388 120.572 119.300 -0.192 0.000 4.235 54 C HA -0.212 4.247 4.460 -0.002 0.000 0.301 54 C C 0.820 175.768 174.990 -0.069 0.000 1.409 54 C CA -0.293 58.654 59.018 -0.119 0.000 2.024 54 C CB -2.308 25.393 27.740 -0.065 0.000 1.286 54 C HN 0.445 nan 8.230 nan 0.000 0.746 55 L N 1.946 123.150 121.223 -0.033 0.000 2.511 55 L HA 0.464 4.803 4.340 -0.002 0.000 0.239 55 L C 0.096 176.980 176.870 0.024 0.000 1.400 55 L CA 0.837 55.691 54.840 0.023 0.000 1.226 55 L CB -0.528 41.602 42.059 0.117 0.000 1.475 55 L HN 0.445 nan 8.230 nan 0.000 0.428 56 L N 1.651 122.874 121.223 -0.001 0.000 2.388 56 L HA 0.792 5.131 4.340 -0.002 0.000 0.264 56 L C -0.528 176.390 176.870 0.080 0.000 0.998 56 L CA -1.058 53.774 54.840 -0.013 0.000 0.817 56 L CB 2.071 44.051 42.059 -0.133 0.000 1.338 56 L HN 0.031 nan 8.230 nan 0.000 0.414 57 V N -1.955 118.021 119.914 0.104 0.000 3.167 57 V HA 0.816 4.935 4.120 -0.002 0.000 0.310 57 V C 0.269 176.494 176.094 0.218 0.000 1.207 57 V CA -0.881 61.564 62.300 0.241 0.000 1.059 57 V CB 1.449 33.365 31.823 0.155 0.000 1.079 57 V HN 0.771 nan 8.190 nan 0.000 0.446 58 G N 0.469 109.431 108.800 0.269 0.000 2.340 58 G HA2 0.282 4.241 3.960 -0.002 0.000 0.245 58 G HA3 0.282 4.241 3.960 -0.002 0.000 0.245 58 G C -0.306 174.647 174.900 0.087 0.000 1.294 58 G CA 0.239 45.448 45.100 0.181 0.000 0.896 58 G HN 0.891 nan 8.290 nan 0.000 0.522 59 D N 1.868 122.299 120.400 0.052 0.000 2.343 59 D HA 0.015 4.654 4.640 -0.002 0.000 0.255 59 D C 1.758 178.069 176.300 0.019 0.000 1.187 59 D CA -0.457 53.551 54.000 0.015 0.000 0.875 59 D CB 0.997 41.797 40.800 0.000 0.000 1.136 59 D HN 0.569 nan 8.370 nan 0.000 0.469 60 K N 1.432 121.839 120.400 0.012 0.000 2.218 60 K HA -0.199 4.120 4.320 -0.002 0.000 0.205 60 K C 1.354 177.958 176.600 0.007 0.000 1.046 60 K CA 1.556 57.850 56.287 0.013 0.000 0.933 60 K CB -0.208 32.298 32.500 0.009 0.000 0.728 60 K HN 0.256 nan 8.250 nan 0.000 0.454 61 S N 0.240 115.941 115.700 0.001 0.000 2.603 61 S HA 0.075 4.544 4.470 -0.002 0.000 0.220 61 S C 0.426 175.029 174.600 0.005 0.000 0.967 61 S CA -0.401 57.800 58.200 0.000 0.000 0.920 61 S CB 0.089 63.285 63.200 -0.006 0.000 0.773 61 S HN 0.098 nan 8.310 nan 0.000 0.529 62 V N 2.731 122.652 119.914 0.011 0.000 2.378 62 V HA 0.347 4.466 4.120 -0.002 0.000 0.288 62 V C 0.992 177.096 176.094 0.017 0.000 1.016 62 V CA -0.698 61.611 62.300 0.014 0.000 0.840 62 V CB 1.510 33.344 31.823 0.019 0.000 0.994 62 V HN 0.212 nan 8.190 nan 0.000 0.431 63 Q N 4.637 124.445 119.800 0.013 0.000 2.096 63 Q HA -0.173 4.166 4.340 -0.002 0.000 0.204 63 Q C 2.097 178.106 176.000 0.014 0.000 0.982 63 Q CA 1.973 57.783 55.803 0.012 0.000 0.850 63 Q CB 0.086 28.829 28.738 0.008 0.000 0.901 63 Q HN 0.836 nan 8.270 nan 0.000 0.422 64 R N -0.211 120.299 120.500 0.018 0.000 2.313 64 R HA 0.077 4.416 4.340 -0.002 0.000 0.199 64 R C 1.925 178.244 176.300 0.032 0.000 0.958 64 R CA 0.968 57.080 56.100 0.020 0.000 1.047 64 R CB -0.316 29.996 30.300 0.020 0.000 0.955 64 R HN 0.146 nan 8.270 nan 0.000 0.481 65 S N 0.205 115.929 115.700 0.040 0.000 2.522 65 S HA 0.017 4.486 4.470 -0.002 0.000 0.227 65 S C 1.676 176.314 174.600 0.064 0.000 0.986 65 S CA 0.410 58.651 58.200 0.068 0.000 0.929 65 S CB 0.252 63.495 63.200 0.072 0.000 0.769 65 S HN 0.475 nan 8.310 nan 0.000 0.529 66 G N 0.321 109.139 108.800 0.030 0.000 3.233 66 G HA2 0.365 4.324 3.960 -0.002 0.000 0.234 66 G HA3 0.365 4.324 3.960 -0.002 0.000 0.234 66 G C 1.235 176.126 174.900 -0.014 0.000 1.137 66 G CA -0.528 44.575 45.100 0.004 0.000 0.763 66 G HN 0.500 nan 8.290 nan 0.000 0.549 67 R N -1.405 119.097 120.500 0.002 0.000 2.646 67 R HA 0.180 4.519 4.340 -0.002 0.000 0.226 67 R C -0.423 175.885 176.300 0.015 0.000 0.928 67 R CA 0.002 56.101 56.100 -0.002 0.000 1.010 67 R CB 1.255 31.552 30.300 -0.005 0.000 1.516 67 R HN 0.128 nan 8.270 nan 0.000 0.621 68 V N 4.411 124.344 119.914 0.031 0.000 2.333 68 V HA 0.306 4.425 4.120 -0.002 0.000 0.274 68 V C -2.378 173.767 176.094 0.084 0.000 1.028 68 V CA -2.176 60.149 62.300 0.042 0.000 0.851 68 V CB 1.328 33.172 31.823 0.035 0.000 1.000 68 V HN -0.045 nan 8.190 nan 0.000 0.456 69 P HA 0.337 nan 4.420 nan 0.000 0.269 69 P C 0.955 178.359 177.300 0.174 0.000 1.209 69 P CA 0.829 64.065 63.100 0.226 0.000 0.776 69 P CB 0.821 32.609 31.700 0.147 0.000 0.876 70 G N 0.231 109.142 108.800 0.184 0.000 2.195 70 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.224 70 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.224 70 G C -0.149 174.768 174.900 0.028 0.000 0.990 70 G CA 0.080 45.209 45.100 0.048 0.000 0.639 70 G HN 0.775 nan 8.290 nan 0.000 0.514 71 V N -3.106 116.847 119.914 0.066 0.000 2.789 71 V HA 0.900 5.019 4.120 -0.002 0.000 0.311 71 V C 0.996 177.122 176.094 0.053 0.000 1.073 71 V CA 0.106 62.432 62.300 0.043 0.000 0.921 71 V CB 1.377 33.222 31.823 0.038 0.000 1.009 71 V HN 2.175 nan 8.190 nan 0.000 0.426 72 G N 3.136 111.953 108.800 0.028 0.000 2.338 72 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.296 72 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.296 72 G C -0.368 174.551 174.900 0.032 0.000 1.040 72 G CA 0.766 45.882 45.100 0.027 0.000 1.004 72 G HN 1.164 nan 8.290 nan 0.000 0.509 73 L N -1.025 120.203 121.223 0.008 0.000 2.375 73 L HA 0.807 5.146 4.340 -0.002 0.000 0.271 73 L C 0.552 177.411 176.870 -0.018 0.000 1.107 73 L CA -0.958 53.876 54.840 -0.011 0.000 0.806 73 L CB 1.824 43.832 42.059 -0.085 0.000 1.146 73 L HN 0.101 nan 8.230 nan 0.000 0.447 74 V N 1.626 121.525 119.914 -0.026 0.000 2.932 74 V HA 0.335 4.454 4.120 -0.002 0.000 0.307 74 V C -0.594 175.448 176.094 -0.088 0.000 1.147 74 V CA -0.677 61.588 62.300 -0.058 0.000 0.951 74 V CB 1.972 33.736 31.823 -0.099 0.000 1.031 74 V HN 0.898 nan 8.190 nan 0.000 0.426 75 H N 5.303 124.366 119.070 -0.011 0.000 2.757 75 H HA 0.227 4.782 4.556 -0.002 0.000 0.370 75 H C -0.391 174.937 175.328 0.000 0.000 1.172 75 H CA -0.508 55.534 56.048 -0.009 0.000 1.426 75 H CB 0.618 30.377 29.762 -0.005 0.000 1.438 75 H HN 0.468 nan 8.280 nan 0.000 0.612 76 L N 2.903 124.118 121.223 -0.015 0.000 2.540 76 L HA 0.060 4.399 4.340 -0.002 0.000 0.276 76 L C -1.947 174.927 176.870 0.008 0.000 1.212 76 L CA -1.215 53.599 54.840 -0.042 0.000 0.893 76 L CB -0.025 41.999 42.059 -0.058 0.000 1.138 76 L HN 0.607 nan 8.230 nan 0.000 0.491 77 P HA 0.109 nan 4.420 nan 0.000 0.263 77 P C -0.923 176.431 177.300 0.090 0.000 1.195 77 P CA 0.032 63.163 63.100 0.053 0.000 0.762 77 P CB 0.480 32.197 31.700 0.028 0.000 0.799 78 L N 0.411 121.720 121.223 0.143 0.000 2.350 78 L HA 0.778 5.117 4.340 -0.002 0.000 0.260 78 L C -0.160 176.775 176.870 0.109 0.000 1.015 78 L CA -0.939 53.959 54.840 0.097 0.000 0.821 78 L CB 1.782 43.886 42.059 0.075 0.000 1.370 78 L HN 0.038 nan 8.230 nan 0.000 0.416 79 S N 0.698 116.468 115.700 0.117 0.000 2.430 79 S HA 0.332 4.801 4.470 -0.002 0.000 0.289 79 S C 0.924 175.616 174.600 0.153 0.000 1.143 79 S CA -0.556 57.723 58.200 0.132 0.000 1.067 79 S CB 0.358 63.649 63.200 0.151 0.000 0.964 79 S HN 0.757 nan 8.310 nan 0.000 0.485 80 L N 6.053 127.288 121.223 0.019 0.000 2.043 80 L HA 0.112 4.451 4.340 -0.002 0.000 0.212 80 L C -0.219 176.503 176.870 -0.246 0.000 1.075 80 L CA 1.828 56.617 54.840 -0.085 0.000 0.752 80 L CB -0.041 41.898 42.059 -0.200 0.000 0.891 80 L HN 0.549 nan 8.230 nan 0.000 0.432 81 L N -0.801 120.106 121.223 -0.527 0.000 2.445 81 L HA 0.480 4.819 4.340 -0.002 0.000 0.262 81 L C -2.502 174.006 176.870 -0.603 0.000 0.974 81 L CA -1.861 52.432 54.840 -0.912 0.000 0.822 81 L CB 1.616 42.874 42.059 -1.335 0.000 1.339 81 L HN -0.170 nan 8.230 nan 0.000 0.409 82 P HA 0.232 nan 4.420 nan 0.000 0.275 82 P C -0.102 177.319 177.300 0.202 0.000 1.228 82 P CA -0.146 62.934 63.100 -0.033 0.000 0.786 82 P CB 0.977 32.719 31.700 0.070 0.000 0.927 83 G N 2.644 111.568 108.800 0.207 0.000 2.528 83 G HA2 0.465 4.424 3.960 -0.002 0.000 0.289 83 G HA3 0.465 4.424 3.960 -0.002 0.000 0.289 83 G C -2.489 172.528 174.900 0.195 0.000 1.192 83 G CA -1.535 43.674 45.100 0.182 0.000 0.921 83 G HN 0.385 nan 8.290 nan 0.000 0.512 84 P HA 0.337 nan 4.420 nan 0.000 0.275 84 P C -1.472 175.967 177.300 0.232 0.000 1.228 84 P CA -0.120 63.086 63.100 0.177 0.000 0.786 84 P CB 1.262 33.007 31.700 0.075 0.000 0.927 85 F N 3.177 123.136 119.950 0.014 0.000 2.588 85 F HA 0.418 4.944 4.527 -0.001 0.000 0.318 85 F C -2.712 173.084 175.800 -0.007 0.000 1.155 85 F CA -2.438 55.565 58.000 0.005 0.000 0.967 85 F CB 2.337 41.347 39.000 0.016 0.000 1.236 85 F HN 0.120 nan 8.300 nan 0.000 0.455 86 P HA 0.133 nan 4.420 nan 0.000 0.275 86 P C 0.179 177.613 177.300 0.223 0.000 1.228 86 P CA 0.073 63.190 63.100 0.029 0.000 0.786 86 P CB 0.925 32.560 31.700 -0.109 0.000 0.927 87 E N 1.807 122.110 120.200 0.172 0.000 2.204 87 E HA -0.172 4.177 4.350 -0.002 0.000 0.194 87 E C 1.468 178.223 176.600 0.258 0.000 0.989 87 E CA 1.517 58.040 56.400 0.206 0.000 0.824 87 E CB -0.038 29.721 29.700 0.099 0.000 0.756 87 E HN 0.472 nan 8.360 nan 0.000 0.477 88 S N -0.062 115.770 115.700 0.221 0.000 2.356 88 S HA -0.207 4.262 4.470 -0.002 0.000 0.223 88 S C 1.911 176.622 174.600 0.186 0.000 1.032 88 S CA 1.262 59.571 58.200 0.181 0.000 1.005 88 S CB -0.763 62.540 63.200 0.172 0.000 0.867 88 S HN 0.474 nan 8.310 nan 0.000 0.449 89 H N -1.033 118.095 119.070 0.096 0.000 2.363 89 H HA -0.047 4.508 4.556 -0.002 0.000 0.301 89 H C 2.007 177.517 175.328 0.304 0.000 1.074 89 H CA 1.096 57.208 56.048 0.106 0.000 1.354 89 H CB -0.365 29.359 29.762 -0.064 0.000 1.397 89 H HN 0.527 nan 8.280 nan 0.000 0.516 90 W N 2.857 124.408 121.300 0.419 0.000 2.302 90 W HA -0.284 4.375 4.660 -0.002 0.000 0.320 90 W C 2.419 178.968 176.519 0.049 0.000 1.241 90 W CA 1.751 59.215 57.345 0.198 0.000 1.264 90 W CB -0.174 29.350 29.460 0.106 0.000 1.154 90 W HN 0.139 nan 8.180 nan 0.000 0.483 91 K N 0.341 120.833 120.400 0.153 0.000 2.113 91 K HA -0.272 4.047 4.320 -0.002 0.000 0.208 91 K C 2.194 178.746 176.600 -0.081 0.000 1.047 91 K CA 2.204 58.503 56.287 0.020 0.000 0.928 91 K CB -0.352 32.191 32.500 0.071 0.000 0.716 91 K HN 0.264 nan 8.250 nan 0.000 0.446 92 Q N -0.846 118.898 119.800 -0.094 0.000 2.084 92 Q HA -0.094 4.245 4.340 -0.002 0.000 0.202 92 Q C 2.197 178.051 176.000 -0.243 0.000 0.978 92 Q CA 1.464 57.167 55.803 -0.166 0.000 0.844 92 Q CB -0.217 28.394 28.738 -0.211 0.000 0.898 92 Q HN 0.525 nan 8.270 nan 0.000 0.426 93 G N 0.207 108.794 108.800 -0.355 0.000 2.440 93 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.218 93 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.218 93 G C 1.399 176.128 174.900 -0.286 0.000 1.154 93 G CA 1.064 45.866 45.100 -0.496 0.000 0.767 93 G HN 0.386 nan 8.290 nan 0.000 0.552 94 C N -0.020 119.089 119.300 -0.318 0.000 2.464 94 C HA 0.151 4.610 4.460 -0.002 0.000 0.278 94 C C 2.653 177.586 174.990 -0.097 0.000 1.375 94 C CA 0.502 59.393 59.018 -0.211 0.000 1.761 94 C CB -0.540 27.066 27.740 -0.223 0.000 1.944 94 C HN 0.555 nan 8.230 nan 0.000 0.509 95 E N 0.666 120.802 120.200 -0.107 0.000 2.107 95 E HA -0.085 4.264 4.350 -0.002 0.000 0.191 95 E C 1.929 178.468 176.600 -0.102 0.000 0.982 95 E CA 0.775 57.122 56.400 -0.089 0.000 0.809 95 E CB -0.097 29.548 29.700 -0.092 0.000 0.756 95 E HN 0.598 nan 8.360 nan 0.000 0.459 96 L N 0.382 121.560 121.223 -0.075 0.000 2.362 96 L HA -0.118 4.221 4.340 -0.002 0.000 0.219 96 L C 2.288 179.225 176.870 0.111 0.000 1.134 96 L CA 0.360 55.187 54.840 -0.020 0.000 0.807 96 L CB -0.213 41.943 42.059 0.161 0.000 0.927 96 L HN 0.160 nan 8.230 nan 0.000 0.447 97 A N 1.189 124.068 122.820 0.098 0.000 1.845 97 A HA -0.119 4.200 4.320 -0.002 0.000 0.215 97 A C -0.175 177.472 177.584 0.106 0.000 1.195 97 A CA 1.663 53.785 52.037 0.143 0.000 0.616 97 A CB -1.801 17.257 19.000 0.097 0.000 0.832 97 A HN 0.279 nan 8.150 nan 0.000 0.443 98 P HA -0.062 nan 4.420 nan 0.000 0.221 98 P C 1.404 178.687 177.300 -0.029 0.000 1.150 98 P CA 0.854 63.983 63.100 0.048 0.000 0.800 98 P CB -0.184 31.543 31.700 0.045 0.000 0.787 99 I N -1.755 118.725 120.570 -0.150 0.000 2.202 99 I HA -0.221 3.948 4.170 -0.002 0.000 0.242 99 I C 2.319 178.294 176.117 -0.237 0.000 1.091 99 I CA 1.460 62.589 61.300 -0.287 0.000 1.368 99 I CB -0.852 36.830 38.000 -0.529 0.000 1.058 99 I HN -0.204 nan 8.210 nan 0.000 0.410 100 F N 1.512 121.410 119.950 -0.086 0.000 2.234 100 F HA -0.155 4.371 4.527 -0.002 0.000 0.299 100 F C 2.368 178.075 175.800 -0.155 0.000 1.087 100 F CA 1.118 59.065 58.000 -0.087 0.000 1.340 100 F CB -0.770 38.198 39.000 -0.052 0.000 1.031 100 F HN 0.100 nan 8.300 nan 0.000 0.500 101 N N 0.397 119.112 118.700 0.025 0.000 2.036 101 N HA -0.236 4.503 4.740 -0.002 0.000 0.195 101 N C 1.931 177.177 175.510 -0.439 0.000 1.037 101 N CA 1.606 54.536 53.050 -0.199 0.000 0.855 101 N CB -0.665 37.761 38.487 -0.103 0.000 1.033 101 N HN 0.263 nan 8.380 nan 0.000 0.423 102 E N 0.733 120.792 120.200 -0.235 0.000 2.085 102 E HA -0.127 4.222 4.350 -0.002 0.000 0.194 102 E C 1.910 178.419 176.600 -0.153 0.000 0.994 102 E CA 0.609 56.908 56.400 -0.168 0.000 0.801 102 E CB -0.426 29.287 29.700 0.022 0.000 0.743 102 E HN 0.230 nan 8.360 nan 0.000 0.453 103 L N -0.304 120.841 121.223 -0.130 0.000 2.012 103 L HA -0.146 4.193 4.340 -0.002 0.000 0.210 103 L C 2.253 179.000 176.870 -0.206 0.000 1.073 103 L CA 1.577 56.343 54.840 -0.122 0.000 0.748 103 L CB -0.680 41.330 42.059 -0.081 0.000 0.891 103 L HN 0.124 nan 8.230 nan 0.000 0.431 104 V N -0.083 119.687 119.914 -0.240 0.000 2.332 104 V HA -0.331 3.788 4.120 -0.002 0.000 0.248 104 V C 2.352 178.118 176.094 -0.546 0.000 1.055 104 V CA 2.092 64.147 62.300 -0.409 0.000 1.038 104 V CB -0.837 30.675 31.823 -0.519 0.000 0.651 104 V HN 0.577 nan 8.190 nan 0.000 0.450 105 D N -0.447 119.662 120.400 -0.485 0.000 2.117 105 D HA -0.166 4.473 4.640 -0.002 0.000 0.197 105 D C 2.396 178.673 176.300 -0.039 0.000 0.987 105 D CA 1.050 54.926 54.000 -0.206 0.000 0.829 105 D CB -0.038 40.727 40.800 -0.058 0.000 0.961 105 D HN 0.108 nan 8.370 nan 0.000 0.460 106 R N -0.040 120.421 120.500 -0.064 0.000 2.075 106 R HA -0.026 4.313 4.340 -0.002 0.000 0.232 106 R C 2.325 178.598 176.300 -0.046 0.000 1.126 106 R CA 0.571 56.685 56.100 0.023 0.000 0.963 106 R CB -0.793 29.556 30.300 0.081 0.000 0.858 106 R HN 0.243 nan 8.270 nan 0.000 0.435 107 V N 1.339 121.048 119.914 -0.342 0.000 2.548 107 V HA -0.190 3.929 4.120 -0.002 0.000 0.249 107 V C 2.493 178.480 176.094 -0.180 0.000 1.055 107 V CA 1.829 63.763 62.300 -0.609 0.000 1.065 107 V CB -0.650 30.674 31.823 -0.831 0.000 0.681 107 V HN 0.410 nan 8.190 nan 0.000 0.462 108 S N 0.662 116.294 115.700 -0.113 0.000 2.400 108 S HA -0.161 4.308 4.470 -0.002 0.000 0.232 108 S C 1.849 176.544 174.600 0.158 0.000 1.025 108 S CA 1.493 59.720 58.200 0.046 0.000 0.993 108 S CB -0.703 62.606 63.200 0.182 0.000 0.808 108 S HN 0.549 nan 8.310 nan 0.000 0.478 109 L N 1.146 122.459 121.223 0.150 0.000 2.465 109 L HA 0.157 4.496 4.340 -0.002 0.000 0.224 109 L C 0.931 177.915 176.870 0.190 0.000 1.145 109 L CA 0.580 55.525 54.840 0.175 0.000 0.834 109 L CB -0.344 41.809 42.059 0.157 0.000 0.944 109 L HN 0.260 nan 8.230 nan 0.000 0.451 110 D N 0.368 120.901 120.400 0.221 0.000 2.564 110 D HA 0.115 4.754 4.640 -0.002 0.000 0.226 110 D C 1.266 177.753 176.300 0.310 0.000 1.149 110 D CA 0.048 54.218 54.000 0.283 0.000 0.994 110 D CB 1.175 42.219 40.800 0.406 0.000 1.029 110 D HN 0.122 nan 8.370 nan 0.000 0.517 111 G N 2.215 111.177 108.800 0.269 0.000 2.448 111 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.219 111 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.219 111 G C 1.552 176.620 174.900 0.279 0.000 1.127 111 G CA 0.458 45.760 45.100 0.337 0.000 0.766 111 G HN 0.356 nan 8.290 nan 0.000 0.552 112 K N -0.580 119.948 120.400 0.213 0.000 2.025 112 K HA -0.028 4.291 4.320 -0.002 0.000 0.207 112 K C 2.090 178.812 176.600 0.202 0.000 1.049 112 K CA 0.934 57.323 56.287 0.169 0.000 0.933 112 K CB -0.329 32.255 32.500 0.140 0.000 0.714 112 K HN 0.235 nan 8.250 nan 0.000 0.438 113 F N 1.708 121.734 119.950 0.126 0.000 2.115 113 F HA -0.276 4.250 4.527 -0.002 0.000 0.300 113 F C 1.560 177.405 175.800 0.075 0.000 1.092 113 F CA 1.582 59.666 58.000 0.139 0.000 1.245 113 F CB -0.123 39.039 39.000 0.269 0.000 0.995 113 F HN -0.011 nan 8.300 nan 0.000 0.481 114 L N -0.636 120.634 121.223 0.077 0.000 2.068 114 L HA -0.158 4.181 4.340 -0.002 0.000 0.204 114 L C 2.622 179.413 176.870 -0.131 0.000 1.076 114 L CA 0.826 55.602 54.840 -0.106 0.000 0.753 114 L CB -0.778 41.233 42.059 -0.080 0.000 0.910 114 L HN 0.100 nan 8.230 nan 0.000 0.439 115 Q N 0.181 119.980 119.800 -0.002 0.000 2.119 115 Q HA -0.203 4.136 4.340 -0.002 0.000 0.201 115 Q C 2.018 177.977 176.000 -0.069 0.000 0.972 115 Q CA 1.529 57.330 55.803 -0.004 0.000 0.847 115 Q CB -0.020 28.754 28.738 0.060 0.000 0.903 115 Q HN 0.576 nan 8.270 nan 0.000 0.433 116 E N -0.215 119.936 120.200 -0.081 0.000 2.122 116 E HA -0.028 4.321 4.350 -0.002 0.000 0.190 116 E C 2.082 178.582 176.600 -0.166 0.000 0.977 116 E CA 0.770 57.116 56.400 -0.091 0.000 0.820 116 E CB 0.221 29.899 29.700 -0.036 0.000 0.770 116 E HN 0.163 nan 8.360 nan 0.000 0.462 117 S N 0.972 116.485 115.700 -0.311 0.000 2.399 117 S HA -0.073 4.396 4.470 -0.002 0.000 0.231 117 S C 1.719 176.180 174.600 -0.230 0.000 1.022 117 S CA 0.827 58.815 58.200 -0.353 0.000 0.983 117 S CB -0.030 62.791 63.200 -0.631 0.000 0.803 117 S HN 0.181 nan 8.310 nan 0.000 0.480 118 L N 1.911 123.011 121.223 -0.205 0.000 2.628 118 L HA 0.170 4.509 4.340 -0.002 0.000 0.229 118 L C 2.232 179.028 176.870 -0.123 0.000 1.137 118 L CA 0.133 54.876 54.840 -0.161 0.000 0.909 118 L CB -0.410 41.545 42.059 -0.172 0.000 1.137 118 L HN 0.328 nan 8.230 nan 0.000 0.470 119 S N 0.641 116.277 115.700 -0.108 0.000 2.370 119 S HA -0.205 4.264 4.470 -0.002 0.000 0.226 119 S C 2.055 176.612 174.600 -0.072 0.000 1.033 119 S CA 0.900 59.051 58.200 -0.081 0.000 1.011 119 S CB -0.229 62.932 63.200 -0.065 0.000 0.852 119 S HN 0.494 nan 8.310 nan 0.000 0.457 120 R N 0.949 121.408 120.500 -0.069 0.000 2.100 120 R HA 0.069 4.408 4.340 -0.002 0.000 0.220 120 R C 2.498 178.760 176.300 -0.064 0.000 1.091 120 R CA 1.347 57.414 56.100 -0.056 0.000 0.986 120 R CB -1.428 28.847 30.300 -0.041 0.000 0.888 120 R HN 0.452 nan 8.270 nan 0.000 0.444 121 T N 2.323 116.830 114.554 -0.079 0.000 2.620 121 T HA -0.280 4.069 4.350 -0.002 0.000 0.267 121 T C 1.730 176.372 174.700 -0.096 0.000 1.044 121 T CA 2.038 64.081 62.100 -0.094 0.000 1.161 121 T CB -0.276 68.525 68.868 -0.112 0.000 0.862 121 T HN 0.290 nan 8.240 nan 0.000 0.438 122 K N 1.233 121.571 120.400 -0.103 0.000 2.097 122 K HA -0.260 4.059 4.320 -0.002 0.000 0.214 122 K C 1.949 178.494 176.600 -0.091 0.000 1.052 122 K CA 2.323 58.546 56.287 -0.107 0.000 0.932 122 K CB -0.311 32.129 32.500 -0.101 0.000 0.716 122 K HN 0.548 nan 8.250 nan 0.000 0.455 123 N N -1.033 117.624 118.700 -0.072 0.000 2.376 123 N HA -0.008 4.731 4.740 -0.002 0.000 0.177 123 N C 1.491 176.972 175.510 -0.048 0.000 1.024 123 N CA 0.558 53.574 53.050 -0.057 0.000 0.893 123 N CB 0.078 38.537 38.487 -0.046 0.000 0.980 123 N HN 0.236 nan 8.380 nan 0.000 0.439 124 A N 0.178 122.968 122.820 -0.051 0.000 2.021 124 A HA -0.012 4.307 4.320 -0.002 0.000 0.216 124 A C 0.434 177.987 177.584 -0.052 0.000 1.163 124 A CA 0.819 52.830 52.037 -0.043 0.000 0.676 124 A CB 0.264 19.238 19.000 -0.045 0.000 0.818 124 A HN 0.139 nan 8.150 nan 0.000 0.453 125 D N -1.027 119.335 120.400 -0.064 0.000 2.440 125 D HA 0.237 4.876 4.640 -0.002 0.000 0.252 125 D C 0.646 176.921 176.300 -0.042 0.000 1.180 125 D CA -0.385 53.585 54.000 -0.050 0.000 0.894 125 D CB 0.909 41.672 40.800 -0.063 0.000 1.111 125 D HN 0.311 nan 8.370 nan 0.000 0.544 126 E N 3.100 123.289 120.200 -0.018 0.000 2.110 126 E HA -0.207 4.142 4.350 -0.002 0.000 0.193 126 E C 1.188 177.764 176.600 -0.039 0.000 0.988 126 E CA 0.659 57.033 56.400 -0.043 0.000 0.804 126 E CB 0.008 29.699 29.700 -0.015 0.000 0.745 126 E HN 0.540 nan 8.360 nan 0.000 0.458 127 F N 1.598 121.497 119.950 -0.084 0.000 2.095 127 F HA -0.209 4.317 4.527 -0.002 0.000 0.298 127 F C 2.293 178.022 175.800 -0.119 0.000 1.104 127 F CA 2.078 60.049 58.000 -0.048 0.000 1.232 127 F CB -0.713 38.298 39.000 0.018 0.000 0.987 127 F HN -0.042 nan 8.300 nan 0.000 0.475 128 T N -1.087 113.353 114.554 -0.189 0.000 2.915 128 T HA -0.173 4.176 4.350 -0.002 0.000 0.269 128 T C 2.275 176.782 174.700 -0.322 0.000 1.071 128 T CA 1.364 63.279 62.100 -0.309 0.000 1.132 128 T CB -0.460 68.309 68.868 -0.165 0.000 0.878 128 T HN 0.330 nan 8.240 nan 0.000 0.479 129 S N 0.696 116.234 115.700 -0.271 0.000 2.355 129 S HA -0.103 4.366 4.470 -0.002 0.000 0.222 129 S C 2.269 176.647 174.600 -0.369 0.000 1.031 129 S CA 0.689 58.732 58.200 -0.263 0.000 0.993 129 S CB -0.129 62.944 63.200 -0.212 0.000 0.859 129 S HN 0.209 nan 8.310 nan 0.000 0.453 130 R N 1.194 121.362 120.500 -0.552 0.000 2.094 130 R HA -0.051 4.288 4.340 -0.002 0.000 0.239 130 R C 2.325 178.202 176.300 -0.705 0.000 1.137 130 R CA 1.528 57.091 56.100 -0.896 0.000 0.943 130 R CB -1.603 27.720 30.300 -1.628 0.000 0.850 130 R HN 0.490 nan 8.270 nan 0.000 0.433 131 L N 0.423 121.290 121.223 -0.592 0.000 2.013 131 L HA -0.216 4.123 4.340 -0.002 0.000 0.212 131 L C 2.591 179.312 176.870 -0.249 0.000 1.073 131 L CA 1.347 55.953 54.840 -0.389 0.000 0.753 131 L CB -0.700 41.017 42.059 -0.571 0.000 0.890 131 L HN 0.110 nan 8.230 nan 0.000 0.432 132 L N -0.386 120.682 121.223 -0.258 0.000 2.042 132 L HA -0.247 4.092 4.340 -0.002 0.000 0.210 132 L C 2.307 179.130 176.870 -0.078 0.000 1.076 132 L CA 1.177 55.938 54.840 -0.131 0.000 0.749 132 L CB -0.609 41.367 42.059 -0.138 0.000 0.893 132 L HN 0.281 nan 8.230 nan 0.000 0.432 133 D N -0.028 120.279 120.400 -0.155 0.000 2.144 133 D HA -0.150 4.489 4.640 -0.002 0.000 0.199 133 D C 2.254 178.506 176.300 -0.081 0.000 0.984 133 D CA 1.243 55.162 54.000 -0.134 0.000 0.834 133 D CB -0.067 40.608 40.800 -0.209 0.000 0.955 133 D HN 0.328 nan 8.370 nan 0.000 0.465 134 I N 0.186 120.717 120.570 -0.066 0.000 2.202 134 I HA -0.243 3.926 4.170 -0.002 0.000 0.242 134 I C 2.495 178.644 176.117 0.054 0.000 1.091 134 I CA 0.996 62.306 61.300 0.017 0.000 1.368 134 I CB -0.362 37.684 38.000 0.078 0.000 1.058 134 I HN 0.169 nan 8.210 nan 0.000 0.410 135 H N 1.009 120.053 119.070 -0.043 0.000 2.321 135 H HA -0.153 4.402 4.556 -0.002 0.000 0.300 135 H C 2.394 177.712 175.328 -0.017 0.000 1.087 135 H CA 1.942 57.978 56.048 -0.021 0.000 1.319 135 H CB 0.262 30.000 29.762 -0.040 0.000 1.379 135 H HN 0.212 nan 8.280 nan 0.000 0.501 136 S N 0.751 116.392 115.700 -0.099 0.000 2.365 136 S HA -0.172 4.297 4.470 -0.002 0.000 0.225 136 S C 2.048 176.577 174.600 -0.118 0.000 1.039 136 S CA 1.610 59.728 58.200 -0.136 0.000 1.033 136 S CB -0.182 62.975 63.200 -0.073 0.000 0.887 136 S HN 0.448 nan 8.310 nan 0.000 0.447 137 K N 0.297 120.655 120.400 -0.069 0.000 2.113 137 K HA -0.073 4.247 4.320 -0.002 0.000 0.208 137 K C 2.121 178.696 176.600 -0.042 0.000 1.047 137 K CA 1.320 57.581 56.287 -0.042 0.000 0.928 137 K CB -0.193 32.299 32.500 -0.015 0.000 0.716 137 K HN 0.265 nan 8.250 nan 0.000 0.446 138 M N 0.064 119.632 119.600 -0.054 0.000 2.200 138 M HA -0.079 4.400 4.480 -0.002 0.000 0.265 138 M C 2.002 178.259 176.300 -0.072 0.000 1.066 138 M CA 1.133 56.411 55.300 -0.036 0.000 1.127 138 M CB -0.720 31.884 32.600 0.006 0.000 1.379 138 M HN 0.075 nan 8.290 nan 0.000 0.420 139 L N 0.750 121.877 121.223 -0.159 0.000 2.046 139 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 139 L C 2.552 179.379 176.870 -0.072 0.000 1.077 139 L CA 1.932 56.684 54.840 -0.146 0.000 0.747 139 L CB -1.302 40.616 42.059 -0.235 0.000 0.896 139 L HN 0.539 nan 8.230 nan 0.000 0.432 140 Q N -0.698 119.064 119.800 -0.064 0.000 2.451 140 Q HA -0.078 4.261 4.340 -0.002 0.000 0.206 140 Q C 1.748 177.736 176.000 -0.021 0.000 0.947 140 Q CA 0.960 56.741 55.803 -0.038 0.000 0.937 140 Q CB -0.145 28.571 28.738 -0.037 0.000 1.025 140 Q HN 0.570 nan 8.270 nan 0.000 0.511 141 I N -2.186 118.374 120.570 -0.017 0.000 4.035 141 I HA 0.256 4.425 4.170 -0.002 0.000 0.321 141 I C 0.098 176.216 176.117 0.002 0.000 1.289 141 I CA -0.062 61.237 61.300 -0.003 0.000 1.236 141 I CB 0.050 38.054 38.000 0.006 0.000 1.076 141 I HN 0.104 nan 8.210 nan 0.000 0.418 142 N N 2.845 121.543 118.700 -0.003 0.000 2.696 142 N HA -0.273 4.466 4.740 -0.002 0.000 0.271 142 N C -0.112 175.408 175.510 0.017 0.000 0.997 142 N CA 1.202 54.256 53.050 0.007 0.000 0.801 142 N CB -0.773 37.718 38.487 0.005 0.000 0.913 142 N HN 0.807 nan 8.380 nan 0.000 0.557 143 K N 0.060 120.475 120.400 0.024 0.000 2.237 143 K HA 0.115 4.434 4.320 -0.002 0.000 0.270 143 K C 0.012 176.631 176.600 0.032 0.000 1.015 143 K CA -0.571 55.733 56.287 0.028 0.000 0.949 143 K CB 0.929 33.450 32.500 0.035 0.000 0.976 143 K HN 0.199 nan 8.250 nan 0.000 0.472 144 K N 2.832 123.247 120.400 0.026 0.000 2.338 144 K HA -0.010 4.310 4.320 -0.002 0.000 0.290 144 K C -1.001 175.618 176.600 0.032 0.000 1.069 144 K CA -0.191 56.112 56.287 0.028 0.000 0.941 144 K CB 0.367 32.877 32.500 0.018 0.000 1.023 144 K HN 0.702 nan 8.250 nan 0.000 0.477 145 E N 3.108 123.334 120.200 0.043 0.000 2.400 145 E HA 0.074 4.423 4.350 -0.002 0.000 0.232 145 E C -0.688 175.941 176.600 0.050 0.000 0.988 145 E CA -0.491 55.940 56.400 0.051 0.000 0.823 145 E CB 1.063 30.802 29.700 0.065 0.000 1.246 145 E HN 0.318 nan 8.360 nan 0.000 0.441 146 D N 2.511 122.932 120.400 0.036 0.000 2.525 146 D HA 0.169 4.808 4.640 -0.002 0.000 0.229 146 D C -0.614 175.709 176.300 0.039 0.000 1.202 146 D CA -0.271 53.755 54.000 0.042 0.000 0.828 146 D CB 0.216 41.036 40.800 0.034 0.000 1.008 146 D HN 0.436 nan 8.370 nan 0.000 0.493 147 I N 0.963 121.559 120.570 0.043 0.000 2.330 147 I HA 0.391 4.560 4.170 -0.002 0.000 0.289 147 I C 0.183 176.327 176.117 0.044 0.000 1.001 147 I CA -0.390 60.934 61.300 0.040 0.000 1.193 147 I CB 1.135 39.165 38.000 0.049 0.000 1.345 147 I HN -0.298 nan 8.210 nan 0.000 0.461 148 R N 7.917 128.443 120.500 0.044 0.000 3.189 148 R HA 0.223 4.562 4.340 -0.002 0.000 0.222 148 R C -0.864 175.450 176.300 0.023 0.000 1.735 148 R CA -0.672 55.433 56.100 0.008 0.000 1.129 148 R CB 1.338 31.627 30.300 -0.019 0.000 1.549 148 R HN 0.867 nan 8.270 nan 0.000 0.525 149 M N 0.138 119.775 119.600 0.062 0.000 4.031 149 M HA -0.222 4.257 4.480 -0.002 0.000 0.164 149 M C -0.776 175.574 176.300 0.082 0.000 1.530 149 M CA 1.613 56.968 55.300 0.092 0.000 1.092 149 M CB -0.077 32.559 32.600 0.059 0.000 1.353 149 M HN 0.581 nan 8.290 nan 0.000 0.200 150 G N 5.536 114.531 108.800 0.325 0.000 2.682 150 G HA2 0.741 4.700 3.960 -0.002 0.000 0.300 150 G HA3 0.741 4.700 3.960 -0.002 0.000 0.300 150 G C -1.248 173.819 174.900 0.277 0.000 1.391 150 G CA -1.016 44.308 45.100 0.373 0.000 0.990 150 G HN 0.921 nan 8.290 nan 0.000 0.501 151 I N 2.521 123.240 120.570 0.248 0.000 2.464 151 I HA 0.358 4.527 4.170 -0.002 0.000 0.277 151 I C 0.177 176.444 176.117 0.249 0.000 1.040 151 I CA -0.869 60.563 61.300 0.221 0.000 1.153 151 I CB 1.330 39.433 38.000 0.172 0.000 1.274 151 I HN 0.413 nan 8.210 nan 0.000 0.469 152 V N 2.701 122.758 119.914 0.238 0.000 3.158 152 V HA 0.708 4.827 4.120 -0.002 0.000 0.315 152 V C -0.554 175.620 176.094 0.134 0.000 1.148 152 V CA -0.909 61.483 62.300 0.153 0.000 1.042 152 V CB 2.342 34.207 31.823 0.069 0.000 1.101 152 V HN 0.726 nan 8.190 nan 0.000 0.448 153 R N 0.703 121.169 120.500 -0.057 0.000 2.510 153 R HA 0.539 4.878 4.340 -0.002 0.000 0.294 153 R C -1.181 174.916 176.300 -0.339 0.000 1.056 153 R CA -0.139 55.802 56.100 -0.266 0.000 0.918 153 R CB 1.989 32.010 30.300 -0.466 0.000 1.187 153 R HN 0.976 nan 8.270 nan 0.000 0.437 154 S N 2.774 118.244 115.700 -0.383 0.000 2.422 154 S HA 0.250 4.719 4.470 -0.002 0.000 0.298 154 S C -0.893 173.257 174.600 -0.751 0.000 1.118 154 S CA -0.609 57.215 58.200 -0.627 0.000 1.083 154 S CB 0.597 63.387 63.200 -0.683 0.000 0.971 154 S HN 0.450 nan 8.310 nan 0.000 0.478 155 D N 3.513 123.478 120.400 -0.725 0.000 2.193 155 D HA 0.439 5.078 4.640 -0.002 0.000 0.244 155 D C -0.998 174.961 176.300 -0.569 0.000 1.064 155 D CA 0.187 53.889 54.000 -0.497 0.000 0.845 155 D CB 0.907 41.527 40.800 -0.301 0.000 1.148 155 D HN 0.481 nan 8.370 nan 0.000 0.464 156 Y N 0.389 120.697 120.300 0.013 0.000 2.545 156 Y HA 0.507 5.056 4.550 -0.002 0.000 0.348 156 Y C 0.173 176.168 175.900 0.158 0.000 1.002 156 Y CA -0.927 57.227 58.100 0.090 0.000 1.039 156 Y CB 1.646 40.197 38.460 0.151 0.000 1.271 156 Y HN 0.064 nan 8.280 nan 0.000 0.467 157 M N 2.949 122.744 119.600 0.325 0.000 2.535 157 M HA 0.547 5.026 4.480 -0.002 0.000 0.314 157 M C -1.203 175.232 176.300 0.225 0.000 1.153 157 M CA -0.634 54.823 55.300 0.262 0.000 0.924 157 M CB 2.254 34.946 32.600 0.154 0.000 1.710 157 M HN 0.465 nan 8.290 nan 0.000 0.451 158 I N 1.516 122.171 120.570 0.141 0.000 2.297 158 I HA 0.130 4.299 4.170 -0.002 0.000 0.291 158 I C -0.281 175.865 176.117 0.048 0.000 1.033 158 I CA -0.484 60.835 61.300 0.033 0.000 1.253 158 I CB 0.790 38.661 38.000 -0.215 0.000 1.396 158 I HN 0.585 nan 8.210 nan 0.000 0.476 159 D N 5.458 125.905 120.400 0.079 0.000 2.401 159 D HA -0.048 4.591 4.640 -0.002 0.000 0.254 159 D C 1.179 177.523 176.300 0.073 0.000 1.192 159 D CA 0.354 54.409 54.000 0.090 0.000 0.885 159 D CB 0.955 41.815 40.800 0.100 0.000 1.147 159 D HN 0.566 nan 8.370 nan 0.000 0.478 160 E N 3.377 123.627 120.200 0.083 0.000 2.058 160 E HA -0.245 4.104 4.350 -0.002 0.000 0.194 160 E C 1.316 177.943 176.600 0.045 0.000 0.997 160 E CA 1.037 57.465 56.400 0.048 0.000 0.801 160 E CB 0.265 29.995 29.700 0.051 0.000 0.746 160 E HN 0.444 nan 8.360 nan 0.000 0.450 161 K N -0.303 120.137 120.400 0.066 0.000 1.987 161 K HA -0.179 4.140 4.320 -0.002 0.000 0.216 161 K C 2.354 178.982 176.600 0.047 0.000 1.051 161 K CA 1.891 58.209 56.287 0.051 0.000 0.942 161 K CB -0.814 31.723 32.500 0.062 0.000 0.722 161 K HN 0.143 nan 8.250 nan 0.000 0.444 162 T N 0.003 114.594 114.554 0.061 0.000 2.995 162 T HA -0.076 4.273 4.350 -0.002 0.000 0.269 162 T C 0.719 175.457 174.700 0.065 0.000 1.091 162 T CA 0.622 62.759 62.100 0.061 0.000 1.128 162 T CB 0.002 68.913 68.868 0.071 0.000 0.891 162 T HN 0.241 nan 8.240 nan 0.000 0.492 163 K N 1.541 121.979 120.400 0.063 0.000 3.192 163 K HA -0.125 4.194 4.320 -0.002 0.000 0.278 163 K C -0.650 176.074 176.600 0.207 0.000 1.164 163 K CA 0.602 56.931 56.287 0.070 0.000 0.816 163 K CB -1.773 30.762 32.500 0.058 0.000 1.256 163 K HN 0.607 nan 8.250 nan 0.000 0.497 164 S N 0.117 115.909 115.700 0.154 0.000 2.475 164 S HA 0.523 4.992 4.470 -0.002 0.000 0.298 164 S C -0.084 174.618 174.600 0.169 0.000 1.119 164 S CA -1.168 57.127 58.200 0.158 0.000 1.085 164 S CB 2.311 65.563 63.200 0.086 0.000 1.028 164 S HN 0.283 nan 8.310 nan 0.000 0.489 165 L N 3.515 124.835 121.223 0.161 0.000 2.456 165 L HA 0.410 4.749 4.340 -0.002 0.000 0.277 165 L C -1.162 175.807 176.870 0.165 0.000 1.124 165 L CA 0.232 55.161 54.840 0.148 0.000 0.880 165 L CB -0.401 41.653 42.059 -0.009 0.000 1.192 165 L HN 0.674 nan 8.230 nan 0.000 0.463 166 L N 5.080 126.456 121.223 0.253 0.000 2.341 166 L HA 0.428 4.767 4.340 -0.002 0.000 0.278 166 L C -0.091 177.012 176.870 0.390 0.000 1.005 166 L CA -0.611 54.401 54.840 0.287 0.000 0.818 166 L CB 1.725 43.886 42.059 0.171 0.000 1.259 166 L HN 0.583 nan 8.230 nan 0.000 0.418 167 Q N 2.963 122.998 119.800 0.391 0.000 2.286 167 Q HA 0.103 4.442 4.340 -0.002 0.000 0.267 167 Q C 0.492 176.465 176.000 -0.046 0.000 1.028 167 Q CA -0.286 55.561 55.803 0.073 0.000 0.901 167 Q CB 0.992 29.704 28.738 -0.044 0.000 1.183 167 Q HN 0.628 nan 8.270 nan 0.000 0.392 168 I N 2.734 123.233 120.570 -0.119 0.000 2.162 168 I HA -0.136 4.033 4.170 -0.002 0.000 0.238 168 I C 0.756 176.770 176.117 -0.172 0.000 1.076 168 I CA 1.545 62.779 61.300 -0.110 0.000 1.353 168 I CB -0.784 37.164 38.000 -0.087 0.000 1.063 168 I HN 0.797 nan 8.210 nan 0.000 0.408 169 E N -0.357 119.690 120.200 -0.255 0.000 2.423 169 E HA 0.439 4.788 4.350 -0.002 0.000 0.280 169 E C -1.043 175.335 176.600 -0.371 0.000 1.030 169 E CA -0.797 55.445 56.400 -0.263 0.000 0.812 169 E CB 1.751 31.336 29.700 -0.192 0.000 1.313 169 E HN -0.078 nan 8.360 nan 0.000 0.456 170 M N 2.375 121.771 119.600 -0.340 0.000 2.205 170 M HA 0.418 4.897 4.480 -0.002 0.000 0.344 170 M C -1.546 174.604 176.300 -0.249 0.000 1.085 170 M CA -0.337 54.741 55.300 -0.370 0.000 1.001 170 M CB 1.333 33.712 32.600 -0.369 0.000 1.626 170 M HN 0.481 nan 8.290 nan 0.000 0.442 171 N N 2.862 121.422 118.700 -0.234 0.000 2.476 171 N HA 0.277 5.016 4.740 -0.002 0.000 0.257 171 N C 0.049 175.503 175.510 -0.093 0.000 0.970 171 N CA 0.050 53.003 53.050 -0.162 0.000 0.938 171 N CB 1.468 39.849 38.487 -0.178 0.000 1.144 171 N HN 0.802 nan 8.380 nan 0.000 0.500 172 T N -0.851 113.673 114.554 -0.050 0.000 3.069 172 T HA 0.306 4.655 4.350 -0.002 0.000 0.252 172 T C 0.730 175.471 174.700 0.068 0.000 1.053 172 T CA 0.077 62.193 62.100 0.027 0.000 0.964 172 T CB 0.427 69.310 68.868 0.025 0.000 1.005 172 T HN 0.415 nan 8.240 nan 0.000 0.532 173 I N 0.802 121.366 120.570 -0.010 0.000 2.569 173 I HA 0.471 4.640 4.170 -0.002 0.000 0.290 173 I C -0.176 175.888 176.117 -0.089 0.000 1.088 173 I CA -0.631 60.634 61.300 -0.059 0.000 1.047 173 I CB 1.980 39.819 38.000 -0.268 0.000 1.237 173 I HN 0.136 nan 8.210 nan 0.000 0.421 174 S N 4.353 120.046 115.700 -0.012 0.000 3.447 174 S HA -0.167 4.302 4.470 -0.002 0.000 0.371 174 S C 0.285 174.808 174.600 -0.128 0.000 0.951 174 S CA 0.919 59.079 58.200 -0.067 0.000 1.269 174 S CB -1.319 61.849 63.200 -0.055 0.000 0.919 174 S HN 0.960 nan 8.310 nan 0.000 0.516 175 T N 1.457 116.015 114.554 0.007 0.000 2.799 175 T HA 0.517 4.866 4.350 -0.002 0.000 0.296 175 T C 0.480 175.240 174.700 0.099 0.000 0.947 175 T CA -0.025 62.098 62.100 0.038 0.000 1.141 175 T CB 1.239 70.218 68.868 0.184 0.000 0.891 175 T HN 0.876 nan 8.240 nan 0.000 0.533 176 S N 2.718 118.375 115.700 -0.072 0.000 2.669 176 S HA 0.581 5.050 4.470 -0.002 0.000 0.270 176 S C -0.002 174.716 174.600 0.196 0.000 1.225 176 S CA -0.842 57.288 58.200 -0.116 0.000 0.991 176 S CB -0.096 62.733 63.200 -0.618 0.000 0.987 176 S HN 0.843 nan 8.310 nan 0.000 0.552 177 F N -2.108 117.958 119.950 0.194 0.000 2.844 177 F HA -0.198 4.328 4.527 -0.002 0.000 0.288 177 F C 1.609 177.556 175.800 0.245 0.000 0.732 177 F CA -0.140 57.982 58.000 0.204 0.000 1.378 177 F CB -2.314 36.803 39.000 0.195 0.000 1.597 177 F HN 0.797 nan 8.300 nan 0.000 0.376 178 A N -0.297 122.607 122.820 0.140 0.000 1.933 178 A HA -0.005 4.314 4.320 -0.002 0.000 0.218 178 A C 2.113 179.608 177.584 -0.149 0.000 1.175 178 A CA 1.815 53.650 52.037 -0.337 0.000 0.628 178 A CB -0.237 18.380 19.000 -0.638 0.000 0.814 178 A HN 0.398 nan 8.150 nan 0.000 0.444 179 L N -0.795 120.383 121.223 -0.075 0.000 2.162 179 L HA 0.058 4.397 4.340 -0.002 0.000 0.205 179 L C 1.926 178.713 176.870 -0.140 0.000 1.086 179 L CA 1.235 55.965 54.840 -0.184 0.000 0.778 179 L CB -0.419 41.501 42.059 -0.232 0.000 0.928 179 L HN 0.223 nan 8.230 nan 0.000 0.446 180 I N 0.508 121.043 120.570 -0.058 0.000 2.163 180 I HA -0.167 4.002 4.170 -0.002 0.000 0.243 180 I C 2.601 178.631 176.117 -0.146 0.000 1.085 180 I CA 1.445 62.645 61.300 -0.165 0.000 1.347 180 I CB -2.194 35.548 38.000 -0.430 0.000 1.044 180 I HN 0.353 nan 8.210 nan 0.000 0.408 181 G N 0.600 109.376 108.800 -0.039 0.000 2.446 181 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.217 181 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.217 181 G C 1.906 176.691 174.900 -0.191 0.000 1.168 181 G CA 1.394 46.461 45.100 -0.055 0.000 0.771 181 G HN 0.595 nan 8.290 nan 0.000 0.551 182 C N -0.257 118.943 119.300 -0.166 0.000 2.448 182 C HA 0.322 4.781 4.460 -0.002 0.000 0.280 182 C C 2.693 177.623 174.990 -0.100 0.000 1.398 182 C CA 0.275 59.189 59.018 -0.172 0.000 1.774 182 C CB -1.174 26.483 27.740 -0.139 0.000 1.888 182 C HN 0.296 nan 8.230 nan 0.000 0.519 183 L N -0.301 120.879 121.223 -0.071 0.000 2.209 183 L HA 0.017 4.356 4.340 -0.002 0.000 0.207 183 L C 2.959 179.805 176.870 -0.040 0.000 1.094 183 L CA 0.920 55.805 54.840 0.075 0.000 0.790 183 L CB -0.486 41.613 42.059 0.066 0.000 0.932 183 L HN 0.222 nan 8.230 nan 0.000 0.447 184 M N -0.510 118.995 119.600 -0.159 0.000 2.117 184 M HA -0.158 4.321 4.480 -0.002 0.000 0.262 184 M C 2.333 178.415 176.300 -0.364 0.000 1.065 184 M CA 1.828 56.935 55.300 -0.322 0.000 1.114 184 M CB -1.311 31.121 32.600 -0.279 0.000 1.361 184 M HN 0.189 nan 8.290 nan 0.000 0.408 185 T N 0.108 114.536 114.554 -0.211 0.000 2.746 185 T HA -0.078 4.271 4.350 -0.002 0.000 0.267 185 T C 1.824 176.441 174.700 -0.138 0.000 1.039 185 T CA 1.573 63.609 62.100 -0.107 0.000 1.142 185 T CB -0.727 68.104 68.868 -0.061 0.000 0.866 185 T HN 0.584 nan 8.240 nan 0.000 0.444 186 G N 1.660 110.373 108.800 -0.145 0.000 2.421 186 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.216 186 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.216 186 G C 1.533 176.003 174.900 -0.718 0.000 1.171 186 G CA 0.955 45.967 45.100 -0.146 0.000 0.775 186 G HN 0.430 nan 8.290 nan 0.000 0.543 187 L N 0.062 120.561 121.223 -1.206 0.000 1.989 187 L HA -0.078 4.261 4.340 -0.002 0.000 0.211 187 L C 2.583 179.093 176.870 -0.599 0.000 1.071 187 L CA 2.373 56.373 54.840 -1.400 0.000 0.749 187 L CB -1.054 40.447 42.059 -0.929 0.000 0.890 187 L HN 0.440 nan 8.230 nan 0.000 0.431 188 H N -0.753 118.086 119.070 -0.384 0.000 2.357 188 H HA -0.108 4.447 4.556 -0.002 0.000 0.301 188 H C 2.073 177.300 175.328 -0.168 0.000 1.082 188 H CA 1.227 57.151 56.048 -0.208 0.000 1.342 188 H CB 0.125 29.826 29.762 -0.102 0.000 1.389 188 H HN 0.366 nan 8.280 nan 0.000 0.511 189 K N 0.118 120.483 120.400 -0.059 0.000 2.097 189 K HA -0.121 4.198 4.320 -0.002 0.000 0.206 189 K C 2.500 179.053 176.600 -0.078 0.000 1.049 189 K CA 1.206 57.466 56.287 -0.046 0.000 0.933 189 K CB -0.109 32.375 32.500 -0.027 0.000 0.717 189 K HN 0.048 nan 8.250 nan 0.000 0.442 190 S N 1.054 116.646 115.700 -0.179 0.000 2.368 190 S HA -0.033 4.436 4.470 -0.002 0.000 0.224 190 S C 1.930 176.474 174.600 -0.094 0.000 1.029 190 S CA 0.733 58.850 58.200 -0.138 0.000 0.988 190 S CB -0.127 62.916 63.200 -0.261 0.000 0.838 190 S HN 0.171 nan 8.310 nan 0.000 0.462 191 L N 1.038 122.205 121.223 -0.094 0.000 2.056 191 L HA -0.038 4.301 4.340 -0.002 0.000 0.207 191 L C 2.422 179.339 176.870 0.077 0.000 1.078 191 L CA 0.992 55.870 54.840 0.063 0.000 0.749 191 L CB -0.499 41.583 42.059 0.039 0.000 0.901 191 L HN 0.333 nan 8.230 nan 0.000 0.433 192 L N -0.361 120.868 121.223 0.010 0.000 2.093 192 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 192 L C 2.887 179.742 176.870 -0.025 0.000 1.085 192 L CA 1.598 56.446 54.840 0.013 0.000 0.755 192 L CB -0.698 41.385 42.059 0.039 0.000 0.904 192 L HN 0.430 nan 8.230 nan 0.000 0.435 193 S N -1.265 114.407 115.700 -0.046 0.000 2.419 193 S HA -0.197 4.272 4.470 -0.002 0.000 0.233 193 S C 1.893 176.403 174.600 -0.151 0.000 1.016 193 S CA 0.778 58.931 58.200 -0.078 0.000 0.974 193 S CB -0.133 63.034 63.200 -0.056 0.000 0.786 193 S HN 0.404 nan 8.310 nan 0.000 0.492 194 Q N -0.234 119.437 119.800 -0.214 0.000 2.165 194 Q HA 0.153 4.492 4.340 -0.002 0.000 0.197 194 Q C 0.929 176.607 176.000 -0.536 0.000 0.952 194 Q CA 1.137 56.675 55.803 -0.442 0.000 0.848 194 Q CB -0.035 28.260 28.738 -0.739 0.000 0.931 194 Q HN 0.850 nan 8.270 nan 0.000 0.470 195 Y N -1.683 118.606 120.300 -0.018 0.000 2.445 195 Y HA 0.219 4.768 4.550 -0.002 0.000 0.247 195 Y C 2.003 177.858 175.900 -0.074 0.000 1.129 195 Y CA 0.084 58.221 58.100 0.062 0.000 1.251 195 Y CB 0.384 38.887 38.460 0.071 0.000 1.176 195 Y HN 0.117 nan 8.280 nan 0.000 0.522 196 G N 1.813 110.598 108.800 -0.025 0.000 2.440 196 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.218 196 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.218 196 G C 1.633 176.461 174.900 -0.120 0.000 1.154 196 G CA 1.443 46.513 45.100 -0.050 0.000 0.767 196 G HN 0.479 nan 8.290 nan 0.000 0.552 197 K N -0.224 120.011 120.400 -0.275 0.000 2.032 197 K HA -0.079 4.240 4.320 -0.002 0.000 0.209 197 K C 2.099 178.530 176.600 -0.281 0.000 1.048 197 K CA 1.696 57.779 56.287 -0.339 0.000 0.927 197 K CB -0.700 31.486 32.500 -0.523 0.000 0.712 197 K HN 0.303 nan 8.250 nan 0.000 0.441 198 F N 1.589 121.532 119.950 -0.012 0.000 2.365 198 F HA 0.139 4.665 4.527 -0.002 0.000 0.300 198 F C 1.161 176.890 175.800 -0.119 0.000 1.090 198 F CA 0.345 58.324 58.000 -0.035 0.000 1.408 198 F CB -0.377 38.600 39.000 -0.039 0.000 1.060 198 F HN -0.099 nan 8.300 nan 0.000 0.534 199 L N -1.345 119.857 121.223 -0.034 0.000 2.304 199 L HA 0.575 4.914 4.340 -0.002 0.000 0.268 199 L C 1.116 178.005 176.870 0.032 0.000 1.010 199 L CA -0.982 53.736 54.840 -0.203 0.000 0.813 199 L CB 1.097 42.966 42.059 -0.317 0.000 1.315 199 L HN -0.117 nan 8.230 nan 0.000 0.445 200 G N 2.038 110.923 108.800 0.142 0.000 3.316 200 G HA2 0.475 4.434 3.960 -0.002 0.000 0.255 200 G HA3 0.475 4.434 3.960 -0.002 0.000 0.255 200 G C -0.435 174.478 174.900 0.020 0.000 0.880 200 G CA -0.032 45.116 45.100 0.080 0.000 1.956 200 G HN 0.239 nan 8.290 nan 0.000 0.634 201 L N 0.241 121.468 121.223 0.007 0.000 2.401 201 L HA 0.434 4.773 4.340 -0.002 0.000 0.266 201 L C -0.586 176.372 176.870 0.146 0.000 0.991 201 L CA -0.995 53.866 54.840 0.036 0.000 0.818 201 L CB 2.798 44.800 42.059 -0.096 0.000 1.321 201 L HN 0.224 nan 8.230 nan 0.000 0.413 202 N N -0.751 118.137 118.700 0.314 0.000 2.342 202 N HA 0.194 4.933 4.740 -0.002 0.000 0.293 202 N C 0.822 176.411 175.510 0.132 0.000 1.026 202 N CA -0.328 52.812 53.050 0.150 0.000 0.857 202 N CB 1.655 40.193 38.487 0.085 0.000 1.256 202 N HN 0.639 nan 8.380 nan 0.000 0.484 203 S N 2.337 118.073 115.700 0.060 0.000 2.442 203 S HA -0.123 4.346 4.470 -0.002 0.000 0.236 203 S C 1.175 175.765 174.600 -0.017 0.000 1.007 203 S CA 0.675 58.895 58.200 0.033 0.000 0.965 203 S CB -0.152 63.053 63.200 0.008 0.000 0.773 203 S HN 0.625 nan 8.310 nan 0.000 0.504 204 N N 1.129 119.807 118.700 -0.036 0.000 2.515 204 N HA 0.092 4.831 4.740 -0.002 0.000 0.185 204 N C 0.963 176.389 175.510 -0.141 0.000 1.109 204 N CA 0.295 53.307 53.050 -0.062 0.000 0.903 204 N CB -0.047 38.416 38.487 -0.040 0.000 0.969 204 N HN 0.292 nan 8.380 nan 0.000 0.450 205 R N 0.329 120.673 120.500 -0.260 0.000 2.317 205 R HA 0.184 4.523 4.340 -0.002 0.000 0.208 205 R C -0.067 175.912 176.300 -0.535 0.000 0.914 205 R CA -0.114 55.672 56.100 -0.523 0.000 1.060 205 R CB -0.200 29.451 30.300 -1.083 0.000 1.015 205 R HN -0.066 nan 8.270 nan 0.000 0.498 206 V N 4.011 123.757 119.914 -0.279 0.000 2.408 206 V HA 0.202 4.321 4.120 -0.002 0.000 0.267 206 V C -2.116 173.902 176.094 -0.127 0.000 1.047 206 V CA -1.938 60.259 62.300 -0.171 0.000 0.937 206 V CB 1.204 33.031 31.823 0.007 0.000 0.999 206 V HN -0.071 nan 8.190 nan 0.000 0.472 207 P HA 0.100 nan 4.420 nan 0.000 0.265 207 P C 0.058 177.468 177.300 0.183 0.000 1.193 207 P CA 0.220 63.252 63.100 -0.114 0.000 0.765 207 P CB 0.471 31.959 31.700 -0.353 0.000 0.823 208 A N 3.440 126.354 122.820 0.157 0.000 2.561 208 A HA 0.103 4.422 4.320 -0.002 0.000 0.234 208 A C 0.501 178.254 177.584 0.282 0.000 1.055 208 A CA 0.671 52.816 52.037 0.180 0.000 0.756 208 A CB -0.495 18.580 19.000 0.126 0.000 0.986 208 A HN 0.573 nan 8.150 nan 0.000 0.505 209 N N 0.736 119.536 118.700 0.166 0.000 2.430 209 N HA 0.241 4.980 4.740 -0.002 0.000 0.290 209 N C -0.675 174.855 175.510 0.034 0.000 1.063 209 N CA -0.529 52.573 53.050 0.087 0.000 0.883 209 N CB 1.327 39.691 38.487 -0.205 0.000 1.465 209 N HN 0.658 nan 8.380 nan 0.000 0.493 210 N N 2.313 121.045 118.700 0.054 0.000 2.235 210 N HA 0.167 4.906 4.740 -0.002 0.000 0.231 210 N C 0.813 176.314 175.510 -0.015 0.000 1.177 210 N CA -0.198 52.871 53.050 0.032 0.000 0.874 210 N CB 0.223 38.747 38.487 0.061 0.000 1.097 210 N HN 0.342 nan 8.380 nan 0.000 0.518 211 A N 0.529 123.306 122.820 -0.072 0.000 1.865 211 A HA -0.098 4.221 4.320 -0.002 0.000 0.217 211 A C 2.105 179.539 177.584 -0.251 0.000 1.191 211 A CA 1.770 53.690 52.037 -0.195 0.000 0.623 211 A CB -0.982 17.807 19.000 -0.351 0.000 0.826 211 A HN 0.155 nan 8.150 nan 0.000 0.444 212 V N 0.534 120.337 119.914 -0.185 0.000 2.332 212 V HA -0.262 3.857 4.120 -0.002 0.000 0.248 212 V C 2.075 178.163 176.094 -0.010 0.000 1.055 212 V CA 2.864 65.100 62.300 -0.107 0.000 1.038 212 V CB -0.737 31.032 31.823 -0.089 0.000 0.651 212 V HN 0.590 nan 8.190 nan 0.000 0.450 213 D N -0.919 119.497 120.400 0.027 0.000 2.117 213 D HA -0.160 4.480 4.640 -0.002 0.000 0.197 213 D C 2.335 178.649 176.300 0.025 0.000 0.987 213 D CA 1.206 55.242 54.000 0.059 0.000 0.829 213 D CB -0.288 40.549 40.800 0.061 0.000 0.961 213 D HN 0.473 nan 8.370 nan 0.000 0.460 214 Q N 0.356 120.149 119.800 -0.011 0.000 2.084 214 Q HA -0.063 4.276 4.340 -0.002 0.000 0.202 214 Q C 2.339 178.304 176.000 -0.059 0.000 0.978 214 Q CA 0.920 56.712 55.803 -0.018 0.000 0.844 214 Q CB -0.291 28.446 28.738 -0.001 0.000 0.898 214 Q HN 0.188 nan 8.270 nan 0.000 0.426 215 S N 1.095 116.726 115.700 -0.115 0.000 2.368 215 S HA -0.110 4.359 4.470 -0.002 0.000 0.225 215 S C 2.072 176.565 174.600 -0.178 0.000 1.030 215 S CA 1.027 59.137 58.200 -0.151 0.000 0.999 215 S CB -0.249 62.833 63.200 -0.197 0.000 0.844 215 S HN 0.503 nan 8.310 nan 0.000 0.459 216 A N 1.526 124.270 122.820 -0.126 0.000 1.933 216 A HA -0.170 4.149 4.320 -0.002 0.000 0.218 216 A C 2.033 179.445 177.584 -0.287 0.000 1.175 216 A CA 1.980 53.923 52.037 -0.157 0.000 0.628 216 A CB -0.641 18.353 19.000 -0.010 0.000 0.814 216 A HN 0.505 nan 8.150 nan 0.000 0.444 217 E N 0.321 120.412 120.200 -0.182 0.000 2.150 217 E HA -0.033 4.316 4.350 -0.002 0.000 0.193 217 E C 1.877 178.361 176.600 -0.193 0.000 0.985 217 E CA 1.540 57.809 56.400 -0.218 0.000 0.814 217 E CB -0.412 29.282 29.700 -0.009 0.000 0.752 217 E HN 0.465 nan 8.360 nan 0.000 0.466 218 A N 0.539 123.279 122.820 -0.134 0.000 1.897 218 A HA -0.058 4.261 4.320 -0.002 0.000 0.215 218 A C 2.278 179.796 177.584 -0.110 0.000 1.181 218 A CA 1.205 53.190 52.037 -0.087 0.000 0.620 218 A CB -0.715 18.262 19.000 -0.039 0.000 0.821 218 A HN 0.337 nan 8.150 nan 0.000 0.443 219 L N -0.580 120.531 121.223 -0.186 0.000 1.990 219 L HA -0.269 4.070 4.340 -0.002 0.000 0.213 219 L C 3.158 179.943 176.870 -0.141 0.000 1.072 219 L CA 1.368 56.090 54.840 -0.196 0.000 0.755 219 L CB -0.619 41.240 42.059 -0.332 0.000 0.889 219 L HN 0.453 nan 8.230 nan 0.000 0.432 220 A N -0.008 122.641 122.820 -0.285 0.000 1.883 220 A HA -0.258 4.061 4.320 -0.002 0.000 0.217 220 A C 2.311 179.908 177.584 0.022 0.000 1.186 220 A CA 2.050 53.930 52.037 -0.262 0.000 0.624 220 A CB -0.451 18.093 19.000 -0.761 0.000 0.822 220 A HN 0.346 nan 8.150 nan 0.000 0.444 221 K N -0.432 119.951 120.400 -0.028 0.000 2.057 221 K HA -0.035 4.284 4.320 -0.002 0.000 0.207 221 K C 2.327 178.975 176.600 0.080 0.000 1.049 221 K CA 1.056 57.370 56.287 0.045 0.000 0.931 221 K CB -0.336 32.170 32.500 0.010 0.000 0.714 221 K HN 0.455 nan 8.250 nan 0.000 0.440 222 A N 0.908 123.768 122.820 0.067 0.000 1.883 222 A HA -0.214 4.105 4.320 -0.002 0.000 0.217 222 A C 1.948 179.629 177.584 0.160 0.000 1.186 222 A CA 1.498 53.588 52.037 0.088 0.000 0.624 222 A CB -1.057 17.980 19.000 0.062 0.000 0.822 222 A HN 0.621 nan 8.150 nan 0.000 0.444 223 W N 1.268 122.554 121.300 -0.023 0.000 2.321 223 W HA -0.214 4.445 4.660 -0.002 0.000 0.306 223 W C 2.378 178.935 176.519 0.063 0.000 1.217 223 W CA 2.218 59.562 57.345 -0.001 0.000 1.257 223 W CB -0.347 29.087 29.460 -0.043 0.000 1.145 223 W HN 0.279 nan 8.180 nan 0.000 0.509 224 S N 0.323 116.170 115.700 0.246 0.000 2.382 224 S HA -0.198 4.271 4.470 -0.002 0.000 0.228 224 S C 1.615 176.204 174.600 -0.019 0.000 1.027 224 S CA 1.573 59.821 58.200 0.081 0.000 0.991 224 S CB -0.361 62.954 63.200 0.193 0.000 0.823 224 S HN 0.327 nan 8.310 nan 0.000 0.469 225 E N 0.193 120.409 120.200 0.027 0.000 2.072 225 E HA -0.086 4.263 4.350 -0.002 0.000 0.190 225 E C 1.770 178.362 176.600 -0.015 0.000 0.982 225 E CA 0.772 57.174 56.400 0.003 0.000 0.803 225 E CB -0.480 29.232 29.700 0.020 0.000 0.755 225 E HN 0.661 nan 8.360 nan 0.000 0.453 226 Y N 2.020 122.248 120.300 -0.120 0.000 2.114 226 Y HA -0.270 4.279 4.550 -0.002 0.000 0.282 226 Y C 0.604 176.379 175.900 -0.208 0.000 1.165 226 Y CA 1.876 59.889 58.100 -0.145 0.000 1.148 226 Y CB 0.077 38.439 38.460 -0.163 0.000 0.972 226 Y HN 0.069 nan 8.280 nan 0.000 0.504 227 N N 1.403 120.011 118.700 -0.153 0.000 2.688 227 N HA -0.228 4.511 4.740 -0.002 0.000 0.261 227 N C -1.863 173.512 175.510 -0.226 0.000 1.116 227 N CA 0.884 53.781 53.050 -0.256 0.000 0.689 227 N CB -1.752 36.621 38.487 -0.190 0.000 0.882 227 N HN 0.605 nan 8.380 nan 0.000 0.554 228 N N 1.884 120.428 118.700 -0.260 0.000 2.558 228 N HA 0.364 5.103 4.740 -0.002 0.000 0.285 228 N C -2.147 173.172 175.510 -0.319 0.000 1.112 228 N CA -1.441 51.515 53.050 -0.156 0.000 0.857 228 N CB 1.523 40.056 38.487 0.077 0.000 1.376 228 N HN 0.076 nan 8.380 nan 0.000 0.526 229 P HA 0.032 nan 4.420 nan 0.000 0.237 229 P C 0.331 177.764 177.300 0.222 0.000 1.178 229 P CA 0.611 63.697 63.100 -0.024 0.000 0.766 229 P CB 0.514 32.245 31.700 0.051 0.000 0.876 230 R N -0.748 119.825 120.500 0.121 0.000 2.362 230 R HA 0.371 4.710 4.340 -0.002 0.000 0.227 230 R C 1.055 177.457 176.300 0.170 0.000 0.905 230 R CA -0.208 55.983 56.100 0.151 0.000 1.067 230 R CB 0.329 30.679 30.300 0.084 0.000 1.078 230 R HN 0.092 nan 8.270 nan 0.000 0.516 231 A N 1.363 124.286 122.820 0.172 0.000 2.313 231 A HA 0.648 4.967 4.320 -0.002 0.000 0.261 231 A C 0.090 177.910 177.584 0.394 0.000 1.090 231 A CA -0.155 51.982 52.037 0.167 0.000 0.807 231 A CB 0.514 19.512 19.000 -0.003 0.000 1.055 231 A HN 0.292 nan 8.150 nan 0.000 0.492 232 A N 0.196 123.154 122.820 0.229 0.000 2.347 232 A HA 0.770 5.089 4.320 -0.002 0.000 0.301 232 A C -0.504 177.157 177.584 0.127 0.000 1.163 232 A CA -0.656 51.484 52.037 0.172 0.000 0.860 232 A CB 0.699 19.736 19.000 0.062 0.000 1.367 232 A HN 0.717 nan 8.150 nan 0.000 0.461 233 I N 0.932 121.520 120.570 0.031 0.000 2.321 233 I HA 0.237 4.406 4.170 -0.002 0.000 0.291 233 I C -0.811 175.296 176.117 -0.017 0.000 0.998 233 I CA -0.545 60.757 61.300 0.005 0.000 1.227 233 I CB 1.514 39.482 38.000 -0.053 0.000 1.368 233 I HN 0.522 nan 8.210 nan 0.000 0.466 234 L N 9.117 130.317 121.223 -0.039 0.000 2.278 234 L HA 0.358 4.697 4.340 -0.002 0.000 0.287 234 L C -0.509 176.304 176.870 -0.094 0.000 1.072 234 L CA 0.039 54.834 54.840 -0.074 0.000 0.819 234 L CB 0.952 42.947 42.059 -0.107 0.000 1.176 234 L HN 0.278 nan 8.230 nan 0.000 0.435 235 V N 6.247 126.115 119.914 -0.076 0.000 2.394 235 V HA 0.365 4.484 4.120 -0.002 0.000 0.282 235 V C -0.049 175.927 176.094 -0.197 0.000 1.031 235 V CA -0.716 61.524 62.300 -0.101 0.000 0.881 235 V CB 1.521 33.333 31.823 -0.020 0.000 0.982 235 V HN 0.506 nan 8.190 nan 0.000 0.451 236 V N 6.607 126.337 119.914 -0.306 0.000 2.364 236 V HA 0.498 4.617 4.120 -0.002 0.000 0.272 236 V C 0.148 176.120 176.094 -0.204 0.000 1.036 236 V CA -0.230 61.906 62.300 -0.273 0.000 0.880 236 V CB 1.381 32.981 31.823 -0.372 0.000 0.991 236 V HN 0.765 nan 8.190 nan 0.000 0.460 237 V N 2.810 122.621 119.914 -0.171 0.000 3.158 237 V HA 0.671 4.790 4.120 -0.002 0.000 0.315 237 V C -0.428 175.571 176.094 -0.159 0.000 1.148 237 V CA -1.005 61.201 62.300 -0.158 0.000 1.042 237 V CB 1.866 33.597 31.823 -0.154 0.000 1.101 237 V HN 0.760 nan 8.190 nan 0.000 0.448 238 Q N -0.042 119.670 119.800 -0.147 0.000 2.212 238 Q HA 0.483 4.822 4.340 -0.002 0.000 0.238 238 Q C 0.906 176.829 176.000 -0.128 0.000 0.955 238 Q CA -0.641 55.066 55.803 -0.159 0.000 0.906 238 Q CB 1.998 30.645 28.738 -0.151 0.000 1.215 238 Q HN 0.606 nan 8.270 nan 0.000 0.478 239 V N 0.124 119.964 119.914 -0.124 0.000 2.427 239 V HA -0.176 3.943 4.120 -0.002 0.000 0.248 239 V C 0.378 176.429 176.094 -0.072 0.000 1.051 239 V CA 1.642 63.886 62.300 -0.093 0.000 1.048 239 V CB -0.234 31.535 31.823 -0.090 0.000 0.666 239 V HN 0.681 nan 8.190 nan 0.000 0.456 240 E N -0.393 119.765 120.200 -0.069 0.000 2.210 240 E HA 0.500 4.849 4.350 -0.002 0.000 0.266 240 E C -0.693 175.877 176.600 -0.050 0.000 0.883 240 E CA -0.325 56.046 56.400 -0.048 0.000 0.761 240 E CB 1.738 31.420 29.700 -0.031 0.000 1.156 240 E HN 0.188 nan 8.360 nan 0.000 0.412 241 E N 2.816 122.984 120.200 -0.054 0.000 2.768 241 E HA 0.195 4.544 4.350 -0.002 0.000 0.290 241 E C -0.307 176.253 176.600 -0.068 0.000 1.100 241 E CA -0.048 56.313 56.400 -0.065 0.000 0.768 241 E CB 0.160 29.794 29.700 -0.110 0.000 1.501 241 E HN 0.496 nan 8.360 nan 0.000 0.384 242 R N 1.363 121.855 120.500 -0.013 0.000 2.193 242 R HA -0.040 4.299 4.340 -0.002 0.000 0.229 242 R C 0.810 177.138 176.300 0.046 0.000 1.110 242 R CA 1.072 57.188 56.100 0.026 0.000 0.988 242 R CB 0.007 30.346 30.300 0.064 0.000 0.871 242 R HN 0.168 nan 8.270 nan 0.000 0.458 243 N N 1.194 119.918 118.700 0.040 0.000 2.389 243 N HA -0.006 4.733 4.740 -0.002 0.000 0.237 243 N C 1.315 176.797 175.510 -0.047 0.000 1.148 243 N CA -0.074 53.030 53.050 0.090 0.000 0.854 243 N CB 0.110 38.703 38.487 0.176 0.000 1.115 243 N HN 0.243 nan 8.380 nan 0.000 0.492 244 M N -1.925 117.516 119.600 -0.265 0.000 2.296 244 M HA -0.087 4.392 4.480 -0.002 0.000 0.265 244 M C 0.890 176.914 176.300 -0.460 0.000 1.064 244 M CA 1.270 56.296 55.300 -0.457 0.000 1.109 244 M CB -0.583 31.716 32.600 -0.501 0.000 1.396 244 M HN 0.025 nan 8.290 nan 0.000 0.430 245 Y N 1.464 121.840 120.300 0.128 0.000 2.207 245 Y HA -0.212 4.337 4.550 -0.002 0.000 0.287 245 Y C 2.681 178.679 175.900 0.163 0.000 1.156 245 Y CA 1.963 60.183 58.100 0.200 0.000 1.182 245 Y CB -0.665 37.885 38.460 0.151 0.000 0.979 245 Y HN 0.471 nan 8.280 nan 0.000 0.521 246 E N 0.695 121.017 120.200 0.204 0.000 2.077 246 E HA -0.270 4.079 4.350 -0.002 0.000 0.193 246 E C 1.892 178.578 176.600 0.143 0.000 0.989 246 E CA 1.612 58.112 56.400 0.166 0.000 0.800 246 E CB -0.069 29.727 29.700 0.159 0.000 0.746 246 E HN 0.611 nan 8.360 nan 0.000 0.452 247 Q N -0.272 119.538 119.800 0.018 0.000 2.002 247 Q HA -0.219 4.120 4.340 -0.002 0.000 0.204 247 Q C 2.301 178.303 176.000 0.003 0.000 0.988 247 Q CA 1.638 57.416 55.803 -0.041 0.000 0.843 247 Q CB -0.533 28.055 28.738 -0.249 0.000 0.908 247 Q HN 0.488 nan 8.270 nan 0.000 0.420 248 H N -0.526 118.591 119.070 0.078 0.000 2.390 248 H HA -0.185 4.370 4.556 -0.001 0.000 0.298 248 H C 1.895 177.298 175.328 0.126 0.000 1.106 248 H CA 1.599 57.698 56.048 0.085 0.000 1.297 248 H CB -0.572 29.249 29.762 0.098 0.000 1.375 248 H HN 0.374 nan 8.280 nan 0.000 0.509 249 Y N 0.939 121.339 120.300 0.165 0.000 2.200 249 Y HA -0.133 4.417 4.550 -0.001 0.000 0.290 249 Y C 2.584 178.514 175.900 0.050 0.000 1.137 249 Y CA 1.001 59.158 58.100 0.095 0.000 1.163 249 Y CB -0.411 38.098 38.460 0.081 0.000 0.988 249 Y HN 0.006 nan 8.280 nan 0.000 0.518 250 I N -1.084 119.636 120.570 0.251 0.000 2.226 250 I HA -0.332 3.837 4.170 -0.002 0.000 0.245 250 I C 2.449 178.578 176.117 0.019 0.000 1.100 250 I CA 1.549 62.925 61.300 0.127 0.000 1.374 250 I CB -0.485 37.578 38.000 0.105 0.000 1.057 250 I HN 0.085 nan 8.210 nan 0.000 0.413 251 S N 0.606 116.329 115.700 0.039 0.000 2.382 251 S HA -0.175 4.294 4.470 -0.002 0.000 0.228 251 S C 2.245 176.819 174.600 -0.043 0.000 1.027 251 S CA 1.315 59.515 58.200 0.000 0.000 0.991 251 S CB -0.353 62.877 63.200 0.050 0.000 0.823 251 S HN 0.546 nan 8.310 nan 0.000 0.469 252 A N 1.604 124.390 122.820 -0.058 0.000 1.902 252 A HA -0.045 4.274 4.320 -0.002 0.000 0.217 252 A C 2.086 179.551 177.584 -0.200 0.000 1.181 252 A CA 1.187 53.141 52.037 -0.138 0.000 0.623 252 A CB -0.794 18.096 19.000 -0.182 0.000 0.818 252 A HN 0.459 nan 8.150 nan 0.000 0.443 253 L N -0.786 120.301 121.223 -0.228 0.000 2.013 253 L HA -0.257 4.082 4.340 -0.002 0.000 0.212 253 L C 2.652 179.468 176.870 -0.090 0.000 1.073 253 L CA 1.513 56.248 54.840 -0.175 0.000 0.753 253 L CB -0.710 41.302 42.059 -0.078 0.000 0.890 253 L HN 0.389 nan 8.230 nan 0.000 0.432 254 L N -0.639 120.554 121.223 -0.050 0.000 2.012 254 L HA -0.245 4.094 4.340 -0.002 0.000 0.210 254 L C 2.904 179.684 176.870 -0.150 0.000 1.073 254 L CA 1.415 56.218 54.840 -0.061 0.000 0.748 254 L CB -0.471 41.496 42.059 -0.154 0.000 0.891 254 L HN 0.264 nan 8.230 nan 0.000 0.431 255 R N 0.279 120.689 120.500 -0.150 0.000 2.070 255 R HA -0.173 4.166 4.340 -0.002 0.000 0.233 255 R C 2.098 178.291 176.300 -0.178 0.000 1.137 255 R CA 1.866 57.884 56.100 -0.137 0.000 0.945 255 R CB -0.074 30.171 30.300 -0.092 0.000 0.845 255 R HN 0.417 nan 8.270 nan 0.000 0.430 256 E N -0.358 119.715 120.200 -0.212 0.000 2.122 256 E HA -0.126 4.223 4.350 -0.002 0.000 0.190 256 E C 1.870 178.213 176.600 -0.428 0.000 0.977 256 E CA 0.871 57.130 56.400 -0.234 0.000 0.820 256 E CB 0.141 29.734 29.700 -0.178 0.000 0.770 256 E HN 0.289 nan 8.360 nan 0.000 0.462 257 K N 0.028 120.133 120.400 -0.492 0.000 2.214 257 K HA 0.002 4.321 4.320 -0.002 0.000 0.201 257 K C 1.648 177.753 176.600 -0.826 0.000 1.049 257 K CA 0.591 56.501 56.287 -0.628 0.000 0.978 257 K CB 0.361 32.492 32.500 -0.615 0.000 0.842 257 K HN 0.090 nan 8.250 nan 0.000 0.474 258 H N -0.295 118.506 119.070 -0.449 0.000 2.586 258 H HA 0.092 4.647 4.556 -0.002 0.000 0.273 258 H C -0.495 174.638 175.328 -0.324 0.000 0.997 258 H CA 0.311 56.153 56.048 -0.342 0.000 1.177 258 H CB 0.116 29.712 29.762 -0.276 0.000 1.471 258 H HN 0.363 nan 8.280 nan 0.000 0.538 259 H N 0.185 119.185 119.070 -0.117 0.000 2.506 259 H HA -0.142 4.413 4.556 -0.002 0.000 0.323 259 H C -0.435 174.737 175.328 -0.260 0.000 1.076 259 H CA 0.441 56.406 56.048 -0.139 0.000 1.108 259 H CB -1.967 27.754 29.762 -0.069 0.000 1.569 259 H HN 0.327 nan 8.280 nan 0.000 0.399 260 I N 0.530 120.902 120.570 -0.330 0.000 2.447 260 I HA 0.222 4.391 4.170 -0.002 0.000 0.287 260 I C 0.640 176.564 176.117 -0.322 0.000 1.023 260 I CA -0.830 60.102 61.300 -0.614 0.000 1.083 260 I CB 1.749 39.110 38.000 -1.065 0.000 1.245 260 I HN 0.254 nan 8.210 nan 0.000 0.434 261 R N 3.923 124.304 120.500 -0.197 0.000 2.623 261 R HA 0.289 4.628 4.340 -0.002 0.000 0.271 261 R C -0.707 175.535 176.300 -0.097 0.000 1.043 261 R CA 0.298 56.340 56.100 -0.097 0.000 1.083 261 R CB 0.684 30.971 30.300 -0.021 0.000 0.974 261 R HN 0.659 nan 8.270 nan 0.000 0.436 262 S N 4.613 120.276 115.700 -0.062 0.000 2.532 262 S HA 0.521 4.990 4.470 -0.002 0.000 0.301 262 S C -0.500 174.090 174.600 -0.018 0.000 1.083 262 S CA -0.856 57.321 58.200 -0.039 0.000 1.025 262 S CB 1.402 64.589 63.200 -0.022 0.000 1.056 262 S HN 0.630 nan 8.310 nan 0.000 0.494 263 I N -0.056 120.504 120.570 -0.017 0.000 2.608 263 I HA 0.735 4.904 4.170 -0.002 0.000 0.295 263 I C -0.768 175.333 176.117 -0.027 0.000 1.049 263 I CA -1.184 60.107 61.300 -0.016 0.000 1.063 263 I CB 1.803 39.793 38.000 -0.017 0.000 1.248 263 I HN 0.565 nan 8.210 nan 0.000 0.424 264 R N 4.587 125.072 120.500 -0.024 0.000 2.387 264 R HA 0.716 5.055 4.340 -0.002 0.000 0.314 264 R C -1.190 175.077 176.300 -0.055 0.000 0.958 264 R CA -0.985 55.088 56.100 -0.046 0.000 0.846 264 R CB 1.503 31.779 30.300 -0.041 0.000 1.147 264 R HN 0.485 nan 8.270 nan 0.000 0.447 265 K N 2.018 122.369 120.400 -0.082 0.000 2.464 265 K HA 0.269 4.588 4.320 -0.002 0.000 0.253 265 K C -0.352 176.183 176.600 -0.108 0.000 0.933 265 K CA -0.715 55.523 56.287 -0.082 0.000 0.801 265 K CB 2.524 34.978 32.500 -0.076 0.000 1.271 265 K HN 0.858 nan 8.250 nan 0.000 0.430 266 T N -1.004 113.488 114.554 -0.103 0.000 2.828 266 T HA 0.132 4.481 4.350 -0.002 0.000 0.290 266 T C 1.523 176.143 174.700 -0.134 0.000 1.019 266 T CA -0.704 61.318 62.100 -0.130 0.000 1.031 266 T CB 0.524 69.318 68.868 -0.123 0.000 1.001 266 T HN 0.223 nan 8.240 nan 0.000 0.531 267 L N 1.818 122.935 121.223 -0.177 0.000 2.043 267 L HA -0.084 4.255 4.340 -0.002 0.000 0.212 267 L C 2.951 179.746 176.870 -0.125 0.000 1.075 267 L CA 2.119 56.855 54.840 -0.172 0.000 0.752 267 L CB -2.218 39.660 42.059 -0.302 0.000 0.891 267 L HN 0.985 nan 8.230 nan 0.000 0.432 268 T N -0.908 113.570 114.554 -0.126 0.000 2.607 268 T HA -0.260 4.089 4.350 -0.002 0.000 0.267 268 T C 1.705 176.374 174.700 -0.052 0.000 1.049 268 T CA 1.699 63.754 62.100 -0.076 0.000 1.162 268 T CB -0.359 68.469 68.868 -0.066 0.000 0.863 268 T HN 0.418 nan 8.240 nan 0.000 0.424 269 E N 0.675 120.840 120.200 -0.058 0.000 2.160 269 E HA -0.075 4.274 4.350 -0.002 0.000 0.195 269 E C 2.221 178.799 176.600 -0.037 0.000 0.991 269 E CA 0.919 57.293 56.400 -0.043 0.000 0.810 269 E CB -0.422 29.250 29.700 -0.048 0.000 0.742 269 E HN 0.521 nan 8.360 nan 0.000 0.466 270 I N 1.173 121.715 120.570 -0.045 0.000 2.226 270 I HA -0.254 3.915 4.170 -0.002 0.000 0.245 270 I C 2.306 178.418 176.117 -0.010 0.000 1.100 270 I CA 1.320 62.600 61.300 -0.032 0.000 1.374 270 I CB -0.216 37.759 38.000 -0.042 0.000 1.057 270 I HN 0.069 nan 8.210 nan 0.000 0.413 271 D N 0.512 120.909 120.400 -0.006 0.000 2.144 271 D HA -0.229 4.410 4.640 -0.002 0.000 0.199 271 D C 2.203 178.509 176.300 0.010 0.000 0.984 271 D CA 1.555 55.563 54.000 0.013 0.000 0.834 271 D CB 0.096 40.908 40.800 0.020 0.000 0.955 271 D HN 0.314 nan 8.370 nan 0.000 0.465 272 Q N -0.593 119.206 119.800 -0.000 0.000 2.083 272 Q HA -0.025 4.314 4.340 -0.002 0.000 0.198 272 Q C 1.517 177.517 176.000 0.001 0.000 0.969 272 Q CA 1.209 57.012 55.803 0.000 0.000 0.838 272 Q CB 0.182 28.916 28.738 -0.007 0.000 0.900 272 Q HN 0.427 nan 8.270 nan 0.000 0.436 273 E N -0.658 119.539 120.200 -0.004 0.000 2.498 273 E HA 0.165 4.514 4.350 -0.002 0.000 0.203 273 E C 0.158 176.758 176.600 -0.001 0.000 1.013 273 E CA -0.145 56.252 56.400 -0.004 0.000 0.927 273 E CB 0.994 30.689 29.700 -0.009 0.000 1.012 273 E HN 0.135 nan 8.360 nan 0.000 0.482 274 G N 2.036 110.838 108.800 0.002 0.000 2.389 274 G HA2 0.483 4.442 3.960 -0.002 0.000 0.317 274 G HA3 0.483 4.442 3.960 -0.002 0.000 0.317 274 G C -0.579 174.330 174.900 0.015 0.000 1.137 274 G CA -0.433 44.670 45.100 0.006 0.000 0.870 274 G HN 0.038 nan 8.290 nan 0.000 0.496 275 K N 0.111 120.521 120.400 0.016 0.000 2.579 275 K HA 0.508 4.827 4.320 -0.002 0.000 0.284 275 K C -1.524 175.091 176.600 0.024 0.000 0.990 275 K CA -1.021 55.279 56.287 0.022 0.000 0.880 275 K CB 1.680 34.191 32.500 0.019 0.000 1.488 275 K HN 0.317 nan 8.250 nan 0.000 0.425 276 I N 2.883 123.470 120.570 0.029 0.000 2.312 276 I HA 0.210 4.379 4.170 -0.002 0.000 0.290 276 I C 0.046 176.180 176.117 0.029 0.000 1.008 276 I CA -1.022 60.297 61.300 0.032 0.000 1.226 276 I CB 0.955 38.977 38.000 0.037 0.000 1.371 276 I HN 0.379 nan 8.210 nan 0.000 0.468 277 L N 8.132 129.372 121.223 0.029 0.000 2.473 277 L HA 0.124 4.463 4.340 -0.002 0.000 0.268 277 L C -1.047 175.839 176.870 0.027 0.000 1.215 277 L CA -1.220 53.636 54.840 0.027 0.000 0.823 277 L CB 0.048 42.124 42.059 0.029 0.000 1.099 277 L HN 0.413 nan 8.230 nan 0.000 0.483 278 P HA -0.180 nan 4.420 nan 0.000 0.218 278 P C 0.465 177.778 177.300 0.022 0.000 1.146 278 P CA 1.139 64.251 63.100 0.020 0.000 0.813 278 P CB -0.143 31.566 31.700 0.016 0.000 0.778 279 D N -1.868 118.547 120.400 0.025 0.000 2.324 279 D HA 0.133 4.772 4.640 -0.002 0.000 0.235 279 D C 1.359 177.682 176.300 0.037 0.000 1.095 279 D CA 0.392 54.408 54.000 0.025 0.000 0.871 279 D CB -1.018 39.796 40.800 0.023 0.000 0.906 279 D HN 0.245 nan 8.370 nan 0.000 0.522 280 G N -0.698 108.127 108.800 0.042 0.000 2.176 280 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.253 280 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.253 280 G C 0.328 175.269 174.900 0.069 0.000 0.979 280 G CA 0.289 45.420 45.100 0.052 0.000 0.641 280 G HN 0.451 nan 8.290 nan 0.000 0.530 281 T N 1.456 116.051 114.554 0.069 0.000 2.832 281 T HA 0.484 4.833 4.350 -0.002 0.000 0.296 281 T C 0.393 175.118 174.700 0.041 0.000 0.968 281 T CA -0.215 61.930 62.100 0.075 0.000 1.107 281 T CB 1.807 70.723 68.868 0.080 0.000 0.916 281 T HN 0.616 nan 8.240 nan 0.000 0.517 282 L N 3.812 125.047 121.223 0.021 0.000 2.410 282 L HA 0.435 4.774 4.340 -0.002 0.000 0.273 282 L C 0.259 177.128 176.870 -0.000 0.000 1.152 282 L CA 0.553 55.397 54.840 0.007 0.000 0.855 282 L CB 0.690 42.742 42.059 -0.012 0.000 1.129 282 L HN 0.590 nan 8.230 nan 0.000 0.463 283 S N 4.152 119.855 115.700 0.005 0.000 2.532 283 S HA 0.799 5.268 4.470 -0.002 0.000 0.299 283 S C -1.219 173.380 174.600 -0.000 0.000 1.105 283 S CA -0.613 57.589 58.200 0.004 0.000 1.018 283 S CB 1.263 64.470 63.200 0.012 0.000 1.021 283 S HN 0.477 nan 8.310 nan 0.000 0.483 284 V N 4.366 124.277 119.914 -0.006 0.000 2.531 284 V HA 0.416 4.535 4.120 -0.002 0.000 0.301 284 V C -0.133 175.957 176.094 -0.007 0.000 1.034 284 V CA -0.493 61.802 62.300 -0.010 0.000 0.865 284 V CB 1.444 33.253 31.823 -0.023 0.000 0.995 284 V HN 1.108 nan 8.190 nan 0.000 0.424 285 D N 4.116 124.513 120.400 -0.005 0.000 2.737 285 D HA -0.188 4.451 4.640 -0.002 0.000 0.233 285 D C 1.252 177.553 176.300 0.002 0.000 1.155 285 D CA 2.165 56.163 54.000 -0.003 0.000 0.667 285 D CB -1.001 39.795 40.800 -0.006 0.000 1.060 285 D HN 1.550 nan 8.370 nan 0.000 0.427 286 G N -0.793 108.009 108.800 0.004 0.000 2.159 286 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.256 286 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.256 286 G C 0.047 174.953 174.900 0.011 0.000 0.977 286 G CA 0.663 45.768 45.100 0.008 0.000 0.652 286 G HN 0.733 nan 8.290 nan 0.000 0.531 287 Q N 0.615 120.421 119.800 0.009 0.000 2.322 287 Q HA 0.770 5.109 4.340 -0.002 0.000 0.265 287 Q C 0.205 176.212 176.000 0.012 0.000 0.985 287 Q CA 0.235 56.047 55.803 0.014 0.000 0.849 287 Q CB 1.281 30.026 28.738 0.011 0.000 1.274 287 Q HN 1.126 nan 8.270 nan 0.000 0.449 288 A N 4.919 127.751 122.820 0.020 0.000 2.425 288 A HA 0.537 4.857 4.320 -0.002 0.000 0.249 288 A C -0.574 177.007 177.584 -0.004 0.000 1.084 288 A CA -0.225 51.819 52.037 0.012 0.000 0.781 288 A CB 0.199 19.216 19.000 0.028 0.000 1.019 288 A HN 0.703 nan 8.150 nan 0.000 0.490 289 I N 2.584 123.128 120.570 -0.044 0.000 2.436 289 I HA 0.223 4.392 4.170 -0.002 0.000 0.289 289 I C 1.059 177.041 176.117 -0.226 0.000 1.010 289 I CA -0.107 61.144 61.300 -0.082 0.000 1.098 289 I CB 1.361 39.320 38.000 -0.069 0.000 1.266 289 I HN 0.781 nan 8.210 nan 0.000 0.434 290 S N 4.218 119.737 115.700 -0.302 0.000 2.503 290 S HA 0.264 4.733 4.470 -0.002 0.000 0.215 290 S C 0.433 174.776 174.600 -0.428 0.000 1.003 290 S CA -0.133 57.613 58.200 -0.756 0.000 0.910 290 S CB 0.324 62.898 63.200 -1.042 0.000 0.790 290 S HN 0.353 nan 8.310 nan 0.000 0.514 291 V N 1.660 121.486 119.914 -0.146 0.000 2.709 291 V HA 0.572 4.691 4.120 -0.002 0.000 0.308 291 V C -1.009 175.059 176.094 -0.044 0.000 1.062 291 V CA -0.780 61.496 62.300 -0.041 0.000 0.901 291 V CB 2.004 33.854 31.823 0.044 0.000 1.003 291 V HN 0.163 nan 8.190 nan 0.000 0.425 292 V N 4.586 124.474 119.914 -0.044 0.000 2.376 292 V HA 0.350 4.469 4.120 -0.002 0.000 0.287 292 V C -1.133 174.898 176.094 -0.105 0.000 1.015 292 V CA -0.675 61.534 62.300 -0.152 0.000 0.834 292 V CB 1.442 33.119 31.823 -0.244 0.000 1.001 292 V HN 0.774 nan 8.190 nan 0.000 0.428 293 Y N 6.105 126.254 120.300 -0.251 0.000 2.367 293 Y HA 0.596 5.145 4.550 -0.002 0.000 0.342 293 Y C -0.710 175.057 175.900 -0.222 0.000 0.979 293 Y CA -1.844 56.165 58.100 -0.152 0.000 1.161 293 Y CB 0.772 39.178 38.460 -0.090 0.000 1.155 293 Y HN 0.511 nan 8.280 nan 0.000 0.503 294 F N 6.380 126.187 119.950 -0.238 0.000 2.424 294 F HA 0.413 4.939 4.527 -0.001 0.000 0.356 294 F C 0.881 176.391 175.800 -0.482 0.000 1.110 294 F CA -0.244 57.590 58.000 -0.278 0.000 1.161 294 F CB 0.876 39.808 39.000 -0.113 0.000 1.115 294 F HN 0.349 nan 8.300 nan 0.000 0.507 295 R N 2.888 123.221 120.500 -0.279 0.000 2.633 295 R HA 0.633 4.972 4.340 -0.002 0.000 0.348 295 R C -0.519 175.809 176.300 0.047 0.000 1.100 295 R CA -0.257 55.732 56.100 -0.185 0.000 1.068 295 R CB 0.258 30.388 30.300 -0.283 0.000 1.351 295 R HN 0.671 nan 8.270 nan 0.000 0.575 296 A N -2.454 120.447 122.820 0.136 0.000 2.515 296 A HA 0.527 4.846 4.320 -0.002 0.000 0.292 296 A C 0.235 177.805 177.584 -0.022 0.000 1.065 296 A CA -0.106 51.897 52.037 -0.057 0.000 0.641 296 A CB 0.242 19.132 19.000 -0.183 0.000 1.306 296 A HN 0.208 nan 8.150 nan 0.000 0.441 297 G N -1.649 106.968 108.800 -0.305 0.000 2.136 297 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.242 297 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.242 297 G C 0.353 175.394 174.900 0.236 0.000 0.989 297 G CA 1.473 46.511 45.100 -0.103 0.000 0.682 297 G HN 2.215 nan 8.290 nan 0.000 0.522 298 Y N -0.472 119.938 120.300 0.184 0.000 2.457 298 Y HA 0.578 5.127 4.550 -0.002 0.000 0.263 298 Y C 0.760 176.809 175.900 0.248 0.000 1.164 298 Y CA 0.090 58.347 58.100 0.261 0.000 1.274 298 Y CB 0.009 38.485 38.460 0.027 0.000 1.097 298 Y HN 0.205 nan 8.280 nan 0.000 0.523 299 T N 0.879 115.316 114.554 -0.196 0.000 2.893 299 T HA 0.268 4.617 4.350 -0.002 0.000 0.293 299 T C -2.322 172.040 174.700 -0.563 0.000 1.027 299 T CA -1.888 59.933 62.100 -0.464 0.000 0.988 299 T CB 2.176 70.828 68.868 -0.361 0.000 1.043 299 T HN -0.320 nan 8.240 nan 0.000 0.461 300 P HA -0.070 nan 4.420 nan 0.000 0.220 300 P C 1.055 178.325 177.300 -0.050 0.000 1.144 300 P CA 1.011 63.908 63.100 -0.338 0.000 0.800 300 P CB 0.121 31.649 31.700 -0.287 0.000 0.772 301 K N -0.650 119.659 120.400 -0.152 0.000 2.283 301 K HA -0.101 4.218 4.320 -0.002 0.000 0.202 301 K C 1.156 177.666 176.600 -0.151 0.000 1.048 301 K CA 0.978 57.197 56.287 -0.113 0.000 0.948 301 K CB -0.368 32.053 32.500 -0.131 0.000 0.742 301 K HN 0.114 nan 8.250 nan 0.000 0.458 302 D N -0.416 119.844 120.400 -0.232 0.000 2.363 302 D HA -0.062 4.577 4.640 -0.002 0.000 0.226 302 D C -0.294 175.611 176.300 -0.658 0.000 1.020 302 D CA 0.853 54.574 54.000 -0.465 0.000 0.892 302 D CB 0.176 40.580 40.800 -0.659 0.000 0.900 302 D HN 0.254 nan 8.370 nan 0.000 0.531 303 Y N -0.246 119.900 120.300 -0.256 0.000 2.480 303 Y HA 0.232 4.781 4.550 -0.001 0.000 0.356 303 Y C -1.429 174.422 175.900 -0.081 0.000 0.922 303 Y CA -1.604 56.313 58.100 -0.305 0.000 1.146 303 Y CB 1.021 39.117 38.460 -0.607 0.000 1.185 303 Y HN -0.078 nan 8.280 nan 0.000 0.624 304 P HA -0.083 nan 4.420 nan 0.000 0.219 304 P C 0.367 177.728 177.300 0.102 0.000 1.146 304 P CA 1.080 64.213 63.100 0.055 0.000 0.808 304 P CB 0.687 32.386 31.700 -0.000 0.000 0.779 305 S N -1.487 114.282 115.700 0.115 0.000 2.667 305 S HA 0.228 4.697 4.470 -0.002 0.000 0.292 305 S C 0.909 175.665 174.600 0.260 0.000 1.126 305 S CA -0.610 57.678 58.200 0.147 0.000 0.881 305 S CB 1.635 64.885 63.200 0.083 0.000 1.132 305 S HN -0.144 nan 8.310 nan 0.000 0.492 306 E N 1.028 121.379 120.200 0.252 0.000 2.209 306 E HA -0.084 4.265 4.350 -0.002 0.000 0.196 306 E C 1.892 178.634 176.600 0.236 0.000 0.993 306 E CA 0.876 57.451 56.400 0.293 0.000 0.819 306 E CB -0.376 29.431 29.700 0.179 0.000 0.745 306 E HN 0.441 nan 8.360 nan 0.000 0.477 307 S N 1.426 117.211 115.700 0.142 0.000 2.380 307 S HA -0.242 4.227 4.470 -0.002 0.000 0.229 307 S C 1.840 176.487 174.600 0.079 0.000 1.050 307 S CA 1.904 60.156 58.200 0.086 0.000 1.100 307 S CB -0.228 62.994 63.200 0.037 0.000 0.984 307 S HN 0.294 nan 8.310 nan 0.000 0.434 308 E N -0.001 120.217 120.200 0.031 0.000 2.106 308 E HA -0.079 4.270 4.350 -0.002 0.000 0.192 308 E C 1.722 178.359 176.600 0.062 0.000 0.984 308 E CA 0.926 57.275 56.400 -0.084 0.000 0.806 308 E CB -0.274 29.207 29.700 -0.364 0.000 0.750 308 E HN 0.680 nan 8.360 nan 0.000 0.458 309 W N 0.812 122.311 121.300 0.330 0.000 2.388 309 W HA -0.010 4.649 4.660 -0.001 0.000 0.294 309 W C 2.335 178.944 176.519 0.151 0.000 1.212 309 W CA 0.471 57.966 57.345 0.250 0.000 1.271 309 W CB -0.035 29.493 29.460 0.114 0.000 1.126 309 W HN -0.042 nan 8.180 nan 0.000 0.535 310 R N 0.205 120.901 120.500 0.328 0.000 2.073 310 R HA -0.132 4.207 4.340 -0.002 0.000 0.234 310 R C 2.392 178.793 176.300 0.168 0.000 1.134 310 R CA 1.525 57.749 56.100 0.206 0.000 0.952 310 R CB -1.007 29.379 30.300 0.144 0.000 0.850 310 R HN 0.163 nan 8.270 nan 0.000 0.433 311 A N 1.359 124.260 122.820 0.135 0.000 1.892 311 A HA -0.277 4.042 4.320 -0.002 0.000 0.218 311 A C 2.142 179.816 177.584 0.150 0.000 1.188 311 A CA 1.904 54.000 52.037 0.099 0.000 0.631 311 A CB -0.517 18.501 19.000 0.031 0.000 0.822 311 A HN 0.185 nan 8.150 nan 0.000 0.447 312 R N -0.649 119.980 120.500 0.216 0.000 2.080 312 R HA -0.149 4.190 4.340 -0.002 0.000 0.236 312 R C 1.972 178.426 176.300 0.257 0.000 1.137 312 R CA 1.912 58.187 56.100 0.291 0.000 0.943 312 R CB -0.894 29.642 30.300 0.394 0.000 0.846 312 R HN 0.424 nan 8.270 nan 0.000 0.431 313 L N 0.316 121.686 121.223 0.244 0.000 1.990 313 L HA -0.127 4.212 4.340 -0.002 0.000 0.213 313 L C 2.106 179.060 176.870 0.140 0.000 1.072 313 L CA 1.821 56.768 54.840 0.178 0.000 0.755 313 L CB -0.973 41.180 42.059 0.156 0.000 0.889 313 L HN 0.406 nan 8.230 nan 0.000 0.432 314 L N -0.833 120.468 121.223 0.129 0.000 1.990 314 L HA -0.276 4.063 4.340 -0.002 0.000 0.213 314 L C 2.445 179.373 176.870 0.096 0.000 1.072 314 L CA 2.298 57.196 54.840 0.096 0.000 0.755 314 L CB -0.412 41.695 42.059 0.080 0.000 0.889 314 L HN 0.341 nan 8.230 nan 0.000 0.432 315 M N -1.303 118.367 119.600 0.116 0.000 2.159 315 M HA -0.203 4.276 4.480 -0.002 0.000 0.263 315 M C 2.163 178.547 176.300 0.139 0.000 1.063 315 M CA 1.619 56.989 55.300 0.116 0.000 1.110 315 M CB -0.349 32.335 32.600 0.140 0.000 1.374 315 M HN 0.227 nan 8.290 nan 0.000 0.411 316 E N 0.605 120.905 120.200 0.166 0.000 2.110 316 E HA -0.193 4.156 4.350 -0.002 0.000 0.193 316 E C 1.892 178.559 176.600 0.111 0.000 0.988 316 E CA 1.492 57.983 56.400 0.152 0.000 0.804 316 E CB 0.010 29.802 29.700 0.153 0.000 0.745 316 E HN 0.498 nan 8.360 nan 0.000 0.458 317 Q N 0.189 120.046 119.800 0.095 0.000 2.079 317 Q HA -0.047 4.292 4.340 -0.002 0.000 0.200 317 Q C 1.009 177.051 176.000 0.071 0.000 0.974 317 Q CA 0.875 56.723 55.803 0.074 0.000 0.840 317 Q CB -0.330 28.447 28.738 0.065 0.000 0.898 317 Q HN 0.231 nan 8.270 nan 0.000 0.430 318 S N 0.497 116.240 115.700 0.072 0.000 2.537 318 S HA -0.115 4.354 4.470 -0.002 0.000 0.280 318 S C 1.241 175.888 174.600 0.078 0.000 1.335 318 S CA 0.264 58.503 58.200 0.065 0.000 1.025 318 S CB 0.880 64.110 63.200 0.051 0.000 0.836 318 S HN 0.396 nan 8.310 nan 0.000 0.523 319 S N 2.574 118.330 115.700 0.093 0.000 2.481 319 S HA 0.172 4.641 4.470 -0.002 0.000 0.231 319 S C 0.959 175.665 174.600 0.176 0.000 0.996 319 S CA 0.168 58.458 58.200 0.150 0.000 0.942 319 S CB -1.058 62.268 63.200 0.209 0.000 0.768 319 S HN 1.391 nan 8.310 nan 0.000 0.520 320 A N 2.300 125.151 122.820 0.052 0.000 2.531 320 A HA 0.398 4.717 4.320 -0.002 0.000 0.236 320 A C 0.415 178.007 177.584 0.014 0.000 1.062 320 A CA -0.309 51.685 52.037 -0.072 0.000 0.760 320 A CB -0.258 18.681 19.000 -0.101 0.000 0.995 320 A HN 0.420 nan 8.150 nan 0.000 0.501 321 I N 2.384 122.950 120.570 -0.008 0.000 2.494 321 I HA 0.117 4.286 4.170 -0.002 0.000 0.289 321 I C 0.581 176.728 176.117 0.051 0.000 1.106 321 I CA 0.226 61.556 61.300 0.051 0.000 1.369 321 I CB -0.192 37.846 38.000 0.064 0.000 1.410 321 I HN 0.512 nan 8.210 nan 0.000 0.523 322 K N 4.627 125.078 120.400 0.085 0.000 2.144 322 K HA 0.308 4.627 4.320 -0.002 0.000 0.270 322 K C -0.497 176.195 176.600 0.153 0.000 1.005 322 K CA -0.107 56.284 56.287 0.172 0.000 0.932 322 K CB 1.006 33.667 32.500 0.268 0.000 1.021 322 K HN 0.674 nan 8.250 nan 0.000 0.462 323 C N 6.766 126.224 119.300 0.263 0.000 2.653 323 C HA 0.555 5.014 4.460 -0.002 0.000 0.291 323 C C -2.687 172.567 174.990 0.440 0.000 1.064 323 C CA -1.758 57.418 59.018 0.264 0.000 1.469 323 C CB -0.002 27.891 27.740 0.256 0.000 1.861 323 C HN 0.676 nan 8.230 nan 0.000 0.434 324 P HA 0.404 nan 4.420 nan 0.000 0.289 324 P C -0.152 177.218 177.300 0.117 0.000 1.300 324 P CA 0.061 63.249 63.100 0.148 0.000 0.828 324 P CB 1.401 33.217 31.700 0.194 0.000 1.235 325 T N -1.837 112.719 114.554 0.003 0.000 2.802 325 T HA 0.066 4.415 4.350 -0.002 0.000 0.305 325 T C 1.456 176.230 174.700 0.122 0.000 1.053 325 T CA -0.381 61.760 62.100 0.068 0.000 1.058 325 T CB -0.120 68.767 68.868 0.032 0.000 0.988 325 T HN 0.268 nan 8.240 nan 0.000 0.539 326 I N 1.607 122.256 120.570 0.130 0.000 2.264 326 I HA -0.183 3.986 4.170 -0.002 0.000 0.248 326 I C 2.587 178.757 176.117 0.089 0.000 1.111 326 I CA 2.186 63.559 61.300 0.122 0.000 1.382 326 I CB -0.755 37.324 38.000 0.130 0.000 1.060 326 I HN 0.912 nan 8.210 nan 0.000 0.418 327 S N -0.421 115.366 115.700 0.144 0.000 2.345 327 S HA -0.244 4.225 4.470 -0.002 0.000 0.220 327 S C 2.176 176.864 174.600 0.147 0.000 1.031 327 S CA 1.205 59.446 58.200 0.069 0.000 0.996 327 S CB -1.263 62.069 63.200 0.221 0.000 0.882 327 S HN 0.453 nan 8.310 nan 0.000 0.445 328 Y N 1.960 122.280 120.300 0.033 0.000 2.151 328 Y HA -0.165 4.384 4.550 -0.002 0.000 0.284 328 Y C 2.676 178.607 175.900 0.051 0.000 1.166 328 Y CA 1.249 59.369 58.100 0.034 0.000 1.163 328 Y CB -1.362 37.134 38.460 0.060 0.000 0.974 328 Y HN 0.560 nan 8.280 nan 0.000 0.511 329 H N -0.448 118.679 119.070 0.095 0.000 2.319 329 H HA -0.187 4.368 4.556 -0.002 0.000 0.297 329 H C 2.093 177.391 175.328 -0.049 0.000 1.097 329 H CA 1.611 57.659 56.048 0.001 0.000 1.285 329 H CB -0.238 29.489 29.762 -0.058 0.000 1.368 329 H HN 0.258 nan 8.280 nan 0.000 0.495 330 L N 0.050 121.230 121.223 -0.072 0.000 2.083 330 L HA -0.174 4.165 4.340 -0.002 0.000 0.209 330 L C 2.664 179.465 176.870 -0.116 0.000 1.083 330 L CA 0.638 55.368 54.840 -0.183 0.000 0.752 330 L CB -0.252 41.630 42.059 -0.294 0.000 0.899 330 L HN 0.202 nan 8.230 nan 0.000 0.433 331 V N 0.345 120.210 119.914 -0.082 0.000 2.392 331 V HA -0.227 3.892 4.120 -0.002 0.000 0.249 331 V C 2.454 178.495 176.094 -0.089 0.000 1.059 331 V CA 2.004 64.246 62.300 -0.097 0.000 1.051 331 V CB -1.158 30.567 31.823 -0.165 0.000 0.658 331 V HN 0.593 nan 8.190 nan 0.000 0.455 332 G N 0.181 108.948 108.800 -0.054 0.000 2.776 332 G HA2 -0.073 3.886 3.960 -0.002 0.000 0.209 332 G HA3 -0.073 3.886 3.960 -0.002 0.000 0.209 332 G C 0.828 175.699 174.900 -0.048 0.000 1.145 332 G CA 0.753 45.821 45.100 -0.053 0.000 0.791 332 G HN 0.609 nan 8.290 nan 0.000 0.530 333 T N -1.681 112.839 114.554 -0.057 0.000 2.903 333 T HA 0.232 4.582 4.350 -0.002 0.000 0.314 333 T C 1.285 175.932 174.700 -0.089 0.000 1.078 333 T CA -0.352 61.708 62.100 -0.066 0.000 1.114 333 T CB 1.471 70.278 68.868 -0.102 0.000 0.987 333 T HN -0.095 nan 8.240 nan 0.000 0.548 334 K N 0.945 121.294 120.400 -0.085 0.000 2.155 334 K HA -0.003 4.316 4.320 -0.002 0.000 0.203 334 K C 2.061 178.597 176.600 -0.107 0.000 1.052 334 K CA 0.845 57.071 56.287 -0.102 0.000 0.948 334 K CB -0.433 32.017 32.500 -0.085 0.000 0.728 334 K HN 0.596 nan 8.250 nan 0.000 0.448 335 K N 1.936 122.275 120.400 -0.101 0.000 2.009 335 K HA -0.080 4.239 4.320 -0.002 0.000 0.210 335 K C 1.880 178.410 176.600 -0.116 0.000 1.049 335 K CA 1.184 57.408 56.287 -0.106 0.000 0.929 335 K CB -0.464 31.967 32.500 -0.116 0.000 0.714 335 K HN -0.032 nan 8.250 nan 0.000 0.440 336 I N 1.402 121.901 120.570 -0.119 0.000 2.264 336 I HA -0.260 3.909 4.170 -0.002 0.000 0.248 336 I C 2.510 178.589 176.117 -0.063 0.000 1.111 336 I CA 1.499 62.752 61.300 -0.079 0.000 1.382 336 I CB -1.321 36.650 38.000 -0.048 0.000 1.060 336 I HN 0.486 nan 8.210 nan 0.000 0.418 337 Q N 0.630 120.357 119.800 -0.122 0.000 2.096 337 Q HA -0.265 4.074 4.340 -0.002 0.000 0.204 337 Q C 2.330 178.177 176.000 -0.256 0.000 0.982 337 Q CA 1.784 57.470 55.803 -0.195 0.000 0.850 337 Q CB -0.091 28.517 28.738 -0.216 0.000 0.901 337 Q HN 0.472 nan 8.270 nan 0.000 0.422 338 Q N 0.358 120.040 119.800 -0.196 0.000 2.002 338 Q HA -0.221 4.118 4.340 -0.002 0.000 0.204 338 Q C 1.821 177.749 176.000 -0.120 0.000 0.988 338 Q CA 1.678 57.369 55.803 -0.186 0.000 0.843 338 Q CB -0.143 28.517 28.738 -0.131 0.000 0.908 338 Q HN 0.430 nan 8.270 nan 0.000 0.420 339 E N 0.595 120.767 120.200 -0.047 0.000 2.130 339 E HA -0.176 4.173 4.350 -0.002 0.000 0.196 339 E C 2.234 178.935 176.600 0.169 0.000 0.998 339 E CA 0.954 57.391 56.400 0.062 0.000 0.806 339 E CB -0.320 29.407 29.700 0.045 0.000 0.738 339 E HN 0.427 nan 8.360 nan 0.000 0.459 340 L N 0.024 121.325 121.223 0.130 0.000 2.275 340 L HA -0.104 4.235 4.340 -0.002 0.000 0.215 340 L C 2.278 179.234 176.870 0.142 0.000 1.119 340 L CA 0.842 55.784 54.840 0.170 0.000 0.790 340 L CB -0.290 41.829 42.059 0.101 0.000 0.919 340 L HN 0.036 nan 8.230 nan 0.000 0.443 341 A N -0.686 122.096 122.820 -0.063 0.000 2.178 341 A HA 0.021 4.340 4.320 -0.002 0.000 0.211 341 A C 0.968 178.596 177.584 0.074 0.000 1.157 341 A CA 0.005 52.010 52.037 -0.054 0.000 0.780 341 A CB -0.088 18.707 19.000 -0.342 0.000 0.828 341 A HN 0.192 nan 8.150 nan 0.000 0.476 342 K N 0.946 121.388 120.400 0.070 0.000 2.469 342 K HA 0.179 4.498 4.320 -0.002 0.000 0.274 342 K C -2.573 174.099 176.600 0.120 0.000 0.983 342 K CA -1.391 54.953 56.287 0.095 0.000 0.974 342 K CB -0.085 32.475 32.500 0.100 0.000 0.913 342 K HN 0.041 nan 8.250 nan 0.000 0.493 343 P HA -0.118 nan 4.420 nan 0.000 0.260 343 P C 0.549 177.894 177.300 0.075 0.000 1.172 343 P CA 1.070 64.222 63.100 0.086 0.000 0.760 343 P CB 0.403 32.149 31.700 0.076 0.000 0.773 344 G N 2.342 111.178 108.800 0.060 0.000 2.216 344 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.269 344 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.269 344 G C 1.010 175.928 174.900 0.030 0.000 0.981 344 G CA 0.598 45.718 45.100 0.033 0.000 0.658 344 G HN 0.552 nan 8.290 nan 0.000 0.539 345 V N 0.297 120.264 119.914 0.089 0.000 2.346 345 V HA 0.118 4.237 4.120 -0.002 0.000 0.244 345 V C 2.544 178.717 176.094 0.132 0.000 1.037 345 V CA 2.072 64.435 62.300 0.105 0.000 1.029 345 V CB -0.362 31.615 31.823 0.256 0.000 0.663 345 V HN 0.433 nan 8.190 nan 0.000 0.454 346 L N 0.091 121.438 121.223 0.207 0.000 2.085 346 L HA -0.304 4.035 4.340 -0.002 0.000 0.218 346 L C 2.705 179.635 176.870 0.100 0.000 1.080 346 L CA 2.660 57.627 54.840 0.211 0.000 0.776 346 L CB -0.621 41.529 42.059 0.152 0.000 0.891 346 L HN 0.464 nan 8.230 nan 0.000 0.437 347 E N -0.692 119.512 120.200 0.008 0.000 2.338 347 E HA -0.148 4.201 4.350 -0.002 0.000 0.197 347 E C 2.067 178.569 176.600 -0.163 0.000 1.007 347 E CA 0.459 56.826 56.400 -0.056 0.000 0.849 347 E CB -0.029 29.642 29.700 -0.048 0.000 0.774 347 E HN 0.362 nan 8.360 nan 0.000 0.506 348 R N -0.730 119.566 120.500 -0.341 0.000 2.159 348 R HA -0.091 4.248 4.340 -0.002 0.000 0.237 348 R C 0.881 176.775 176.300 -0.677 0.000 1.131 348 R CA 1.130 56.835 56.100 -0.657 0.000 0.982 348 R CB -0.092 29.521 30.300 -1.145 0.000 0.868 348 R HN 0.244 nan 8.270 nan 0.000 0.453 349 F N -1.273 118.608 119.950 -0.116 0.000 2.706 349 F HA 0.247 4.773 4.527 -0.002 0.000 0.313 349 F C 0.147 175.900 175.800 -0.078 0.000 1.096 349 F CA -0.580 57.348 58.000 -0.120 0.000 1.219 349 F CB 1.305 40.201 39.000 -0.173 0.000 1.051 349 F HN -0.226 nan 8.300 nan 0.000 0.568 350 V N 0.615 120.571 119.914 0.071 0.000 2.969 350 V HA 0.419 4.538 4.120 -0.002 0.000 0.304 350 V C -0.469 175.618 176.094 -0.012 0.000 1.192 350 V CA -0.459 61.865 62.300 0.039 0.000 0.962 350 V CB 2.131 33.977 31.823 0.038 0.000 1.045 350 V HN 0.187 nan 8.190 nan 0.000 0.428 351 E N 3.564 123.748 120.200 -0.027 0.000 2.508 351 E HA 0.085 4.434 4.350 -0.002 0.000 0.217 351 E C 0.613 177.164 176.600 -0.082 0.000 0.896 351 E CA -0.024 56.345 56.400 -0.051 0.000 1.118 351 E CB -0.179 29.494 29.700 -0.045 0.000 1.133 351 E HN 0.772 nan 8.360 nan 0.000 0.526 352 N N 2.393 121.019 118.700 -0.124 0.000 2.418 352 N HA -0.059 4.680 4.740 -0.002 0.000 0.277 352 N C 0.959 176.362 175.510 -0.178 0.000 1.317 352 N CA -0.051 52.855 53.050 -0.239 0.000 0.922 352 N CB 0.514 38.674 38.487 -0.545 0.000 1.194 352 N HN -0.113 nan 8.380 nan 0.000 0.485 353 K N 2.453 122.771 120.400 -0.137 0.000 2.148 353 K HA -0.156 4.163 4.320 -0.002 0.000 0.204 353 K C 1.058 177.608 176.600 -0.083 0.000 1.050 353 K CA 0.990 57.221 56.287 -0.092 0.000 0.942 353 K CB -0.215 32.243 32.500 -0.070 0.000 0.724 353 K HN 0.673 nan 8.250 nan 0.000 0.446 354 D N 0.635 120.974 120.400 -0.102 0.000 2.182 354 D HA -0.157 4.482 4.640 -0.002 0.000 0.201 354 D C 1.676 178.014 176.300 0.064 0.000 0.986 354 D CA 1.359 55.338 54.000 -0.035 0.000 0.847 354 D CB 0.081 40.868 40.800 -0.021 0.000 0.942 354 D HN 0.450 nan 8.370 nan 0.000 0.467 355 H N -0.484 118.526 119.070 -0.101 0.000 2.357 355 H HA 0.004 4.559 4.556 -0.002 0.000 0.301 355 H C 2.275 177.492 175.328 -0.185 0.000 1.082 355 H CA 0.822 56.785 56.048 -0.143 0.000 1.342 355 H CB 0.166 29.851 29.762 -0.128 0.000 1.389 355 H HN 0.207 nan 8.280 nan 0.000 0.511 356 I N 1.143 121.701 120.570 -0.020 0.000 2.208 356 I HA -0.278 3.891 4.170 -0.002 0.000 0.245 356 I C 2.875 178.904 176.117 -0.148 0.000 1.097 356 I CA 0.891 62.130 61.300 -0.102 0.000 1.363 356 I CB -0.528 37.429 38.000 -0.072 0.000 1.051 356 I HN 0.278 nan 8.210 nan 0.000 0.413 357 A N 1.450 124.208 122.820 -0.102 0.000 1.851 357 A HA -0.240 4.079 4.320 -0.002 0.000 0.216 357 A C 2.365 179.859 177.584 -0.150 0.000 1.195 357 A CA 1.885 53.858 52.037 -0.106 0.000 0.622 357 A CB -0.607 18.352 19.000 -0.067 0.000 0.831 357 A HN 0.322 nan 8.150 nan 0.000 0.444 358 K N -0.509 119.808 120.400 -0.138 0.000 2.074 358 K HA -0.145 4.174 4.320 -0.002 0.000 0.209 358 K C 1.933 178.380 176.600 -0.255 0.000 1.048 358 K CA 1.613 57.798 56.287 -0.169 0.000 0.926 358 K CB -0.467 31.941 32.500 -0.154 0.000 0.713 358 K HN 0.474 nan 8.250 nan 0.000 0.444 359 L N 0.576 121.577 121.223 -0.370 0.000 1.976 359 L HA -0.189 4.150 4.340 -0.002 0.000 0.209 359 L C 2.502 178.819 176.870 -0.922 0.000 1.071 359 L CA 1.403 55.867 54.840 -0.628 0.000 0.746 359 L CB -0.356 41.291 42.059 -0.685 0.000 0.890 359 L HN 0.144 nan 8.230 nan 0.000 0.432 360 R N -0.011 120.025 120.500 -0.773 0.000 2.148 360 R HA -0.088 4.251 4.340 -0.002 0.000 0.227 360 R C 2.315 178.438 176.300 -0.296 0.000 1.103 360 R CA 1.024 56.713 56.100 -0.684 0.000 0.983 360 R CB -0.581 29.543 30.300 -0.293 0.000 0.874 360 R HN 0.355 nan 8.270 nan 0.000 0.451 361 A N 1.450 124.142 122.820 -0.213 0.000 2.032 361 A HA -0.225 4.094 4.320 -0.002 0.000 0.221 361 A C 2.347 179.922 177.584 -0.015 0.000 1.165 361 A CA 1.759 53.741 52.037 -0.091 0.000 0.645 361 A CB -0.728 18.214 19.000 -0.098 0.000 0.807 361 A HN 0.685 nan 8.150 nan 0.000 0.453 362 C N -3.038 116.271 119.300 0.016 0.000 2.906 362 C HA 0.587 5.046 4.460 -0.002 0.000 0.274 362 C C 0.249 175.480 174.990 0.401 0.000 1.257 362 C CA -1.396 57.747 59.018 0.209 0.000 1.695 362 C CB -1.469 26.466 27.740 0.326 0.000 1.958 362 C HN 0.238 nan 8.230 nan 0.000 0.619 363 F N 2.702 122.704 119.950 0.087 0.000 2.427 363 F HA 0.621 5.147 4.527 -0.002 0.000 0.352 363 F C 0.885 176.688 175.800 0.004 0.000 1.100 363 F CA -1.088 56.938 58.000 0.044 0.000 1.191 363 F CB 0.458 39.466 39.000 0.014 0.000 1.128 363 F HN 0.357 nan 8.300 nan 0.000 0.533 364 A N 2.119 125.021 122.820 0.136 0.000 2.264 364 A HA 0.633 4.952 4.320 -0.002 0.000 0.304 364 A C 0.547 178.053 177.584 -0.131 0.000 1.100 364 A CA -0.250 51.796 52.037 0.015 0.000 0.839 364 A CB 0.099 19.090 19.000 -0.015 0.000 1.121 364 A HN 0.896 nan 8.150 nan 0.000 0.496 365 G N -0.382 108.315 108.800 -0.171 0.000 2.150 365 G HA2 0.401 4.360 3.960 -0.002 0.000 0.250 365 G HA3 0.401 4.360 3.960 -0.002 0.000 0.250 365 G C -0.530 173.670 174.900 -1.167 0.000 1.179 365 G CA 0.332 45.040 45.100 -0.653 0.000 0.934 365 G HN 0.615 nan 8.290 nan 0.000 0.453 366 L N 2.674 123.016 121.223 -1.468 0.000 2.431 366 L HA 0.610 4.949 4.340 -0.002 0.000 0.266 366 L C -0.796 175.475 176.870 -0.998 0.000 0.978 366 L CA -0.986 53.264 54.840 -0.983 0.000 0.822 366 L CB 2.260 43.999 42.059 -0.532 0.000 1.310 366 L HN 0.542 nan 8.230 nan 0.000 0.409 367 W N 0.949 122.267 121.300 0.031 0.000 3.217 367 W HA 0.357 5.016 4.660 -0.002 0.000 0.323 367 W C -0.282 176.243 176.519 0.011 0.000 1.216 367 W CA -0.688 56.676 57.345 0.031 0.000 1.194 367 W CB 2.170 31.662 29.460 0.054 0.000 1.397 367 W HN 0.352 nan 8.180 nan 0.000 0.537 368 S N 1.448 117.279 115.700 0.219 0.000 2.580 368 S HA 0.278 4.747 4.470 -0.002 0.000 0.274 368 S C 0.930 175.603 174.600 0.123 0.000 1.329 368 S CA -0.437 57.838 58.200 0.126 0.000 1.036 368 S CB 0.561 63.808 63.200 0.078 0.000 0.919 368 S HN 0.453 nan 8.310 nan 0.000 0.515 369 L N 3.695 124.966 121.223 0.081 0.000 2.786 369 L HA 0.031 4.370 4.340 -0.002 0.000 0.250 369 L C 1.215 178.096 176.870 0.019 0.000 1.151 369 L CA 0.785 55.650 54.840 0.041 0.000 0.910 369 L CB -0.803 41.278 42.059 0.036 0.000 1.082 369 L HN 0.763 nan 8.230 nan 0.000 0.433 370 E N -1.275 118.944 120.200 0.032 0.000 2.490 370 E HA -0.005 4.344 4.350 -0.002 0.000 0.209 370 E C 0.436 177.049 176.600 0.022 0.000 0.971 370 E CA -0.222 56.189 56.400 0.019 0.000 0.988 370 E CB 0.540 30.253 29.700 0.023 0.000 1.029 370 E HN 0.191 nan 8.360 nan 0.000 0.496 371 D N 1.438 121.864 120.400 0.043 0.000 2.455 371 D HA -0.013 4.626 4.640 -0.002 0.000 0.234 371 D C 0.888 177.163 176.300 -0.042 0.000 1.224 371 D CA 0.105 54.124 54.000 0.031 0.000 0.999 371 D CB 0.650 41.516 40.800 0.109 0.000 1.072 371 D HN 0.082 nan 8.370 nan 0.000 0.514 372 S N 2.143 117.815 115.700 -0.047 0.000 2.501 372 S HA -0.092 4.377 4.470 -0.002 0.000 0.220 372 S C 1.390 175.929 174.600 -0.103 0.000 0.997 372 S CA 0.020 58.174 58.200 -0.075 0.000 0.919 372 S CB 0.324 63.492 63.200 -0.053 0.000 0.778 372 S HN 0.277 nan 8.310 nan 0.000 0.523 373 D N 2.505 122.848 120.400 -0.094 0.000 2.204 373 D HA -0.139 4.500 4.640 -0.002 0.000 0.189 373 D C 1.829 178.010 176.300 -0.199 0.000 1.006 373 D CA 1.730 55.659 54.000 -0.118 0.000 0.855 373 D CB -0.197 40.544 40.800 -0.097 0.000 0.946 373 D HN 0.416 nan 8.370 nan 0.000 0.448 374 I N 0.422 120.823 120.570 -0.282 0.000 2.617 374 I HA -0.110 4.059 4.170 -0.002 0.000 0.256 374 I C 2.555 178.392 176.117 -0.466 0.000 1.167 374 I CA 0.406 61.423 61.300 -0.473 0.000 1.469 374 I CB -1.389 36.077 38.000 -0.891 0.000 1.098 374 I HN -0.080 nan 8.210 nan 0.000 0.436 375 V N 2.534 122.264 119.914 -0.306 0.000 2.295 375 V HA -0.306 3.813 4.120 -0.002 0.000 0.246 375 V C 2.713 178.652 176.094 -0.258 0.000 1.049 375 V CA 2.261 64.398 62.300 -0.272 0.000 1.024 375 V CB -0.984 30.741 31.823 -0.165 0.000 0.648 375 V HN 0.489 nan 8.190 nan 0.000 0.447 376 K N 1.007 121.290 120.400 -0.196 0.000 2.015 376 K HA -0.367 3.952 4.320 -0.002 0.000 0.220 376 K C 2.181 178.667 176.600 -0.190 0.000 1.055 376 K CA 2.668 58.859 56.287 -0.160 0.000 0.951 376 K CB -0.457 31.974 32.500 -0.115 0.000 0.725 376 K HN 0.278 nan 8.250 nan 0.000 0.449 377 K N 0.061 120.321 120.400 -0.232 0.000 2.113 377 K HA -0.135 4.184 4.320 -0.002 0.000 0.208 377 K C 2.003 178.409 176.600 -0.324 0.000 1.047 377 K CA 1.662 57.823 56.287 -0.210 0.000 0.928 377 K CB -0.272 32.122 32.500 -0.177 0.000 0.716 377 K HN 0.462 nan 8.250 nan 0.000 0.446 378 A N 0.611 123.040 122.820 -0.652 0.000 1.903 378 A HA -0.026 4.293 4.320 -0.002 0.000 0.213 378 A C 2.067 179.472 177.584 -0.298 0.000 1.185 378 A CA 1.158 52.733 52.037 -0.770 0.000 0.628 378 A CB -0.648 17.725 19.000 -1.046 0.000 0.830 378 A HN 0.426 nan 8.150 nan 0.000 0.446 379 I N -1.506 118.928 120.570 -0.227 0.000 2.264 379 I HA -0.230 3.939 4.170 -0.002 0.000 0.248 379 I C 2.129 178.203 176.117 -0.072 0.000 1.111 379 I CA 2.319 63.544 61.300 -0.126 0.000 1.382 379 I CB -0.434 37.500 38.000 -0.110 0.000 1.060 379 I HN 0.515 nan 8.210 nan 0.000 0.418 380 E N 1.946 122.103 120.200 -0.072 0.000 2.086 380 E HA -0.099 4.250 4.350 -0.002 0.000 0.190 380 E C 0.307 176.920 176.600 0.021 0.000 0.975 380 E CA 0.718 57.103 56.400 -0.026 0.000 0.813 380 E CB 0.080 29.759 29.700 -0.035 0.000 0.768 380 E HN 0.614 nan 8.360 nan 0.000 0.457 381 N N 1.919 120.652 118.700 0.055 0.000 2.886 381 N HA 0.153 4.892 4.740 -0.002 0.000 0.285 381 N C -2.268 173.391 175.510 0.249 0.000 1.706 381 N CA -1.073 52.069 53.050 0.153 0.000 0.904 381 N CB 1.606 40.226 38.487 0.222 0.000 1.224 381 N HN 0.219 nan 8.380 nan 0.000 0.488 382 P HA -0.135 nan 4.420 nan 0.000 0.223 382 P C 1.294 178.751 177.300 0.262 0.000 1.151 382 P CA 1.107 64.314 63.100 0.178 0.000 0.787 382 P CB 0.355 32.105 31.700 0.082 0.000 0.788 383 E N 0.006 120.360 120.200 0.256 0.000 2.409 383 E HA -0.116 4.233 4.350 -0.002 0.000 0.198 383 E C 1.114 177.943 176.600 0.381 0.000 1.024 383 E CA 0.772 57.353 56.400 0.303 0.000 0.861 383 E CB -0.751 29.084 29.700 0.226 0.000 0.788 383 E HN 0.210 nan 8.360 nan 0.000 0.521 384 L N -0.215 121.204 121.223 0.326 0.000 2.667 384 L HA 0.355 4.694 4.340 -0.002 0.000 0.232 384 L C -0.440 176.255 176.870 -0.292 0.000 1.138 384 L CA 0.304 55.221 54.840 0.127 0.000 0.921 384 L CB -0.114 41.962 42.059 0.029 0.000 1.180 384 L HN -0.052 nan 8.230 nan 0.000 0.487 385 F N -1.941 118.094 119.950 0.142 0.000 2.591 385 F HA 0.573 5.099 4.527 -0.002 0.000 0.309 385 F C -0.260 175.519 175.800 -0.035 0.000 1.098 385 F CA -1.095 56.948 58.000 0.072 0.000 0.937 385 F CB 1.810 40.834 39.000 0.041 0.000 1.250 385 F HN -0.521 nan 8.300 nan 0.000 0.447 386 V N 3.202 123.162 119.914 0.076 0.000 2.581 386 V HA 0.496 4.615 4.120 -0.002 0.000 0.303 386 V C -0.468 175.555 176.094 -0.119 0.000 1.041 386 V CA -0.782 61.392 62.300 -0.209 0.000 0.907 386 V CB 1.965 33.594 31.823 -0.322 0.000 0.994 386 V HN 0.790 nan 8.190 nan 0.000 0.442 387 M N 4.724 124.183 119.600 -0.236 0.000 2.114 387 M HA 0.506 4.985 4.480 -0.002 0.000 0.332 387 M C -0.914 175.363 176.300 -0.038 0.000 1.014 387 M CA -0.353 54.884 55.300 -0.104 0.000 0.956 387 M CB 0.906 33.403 32.600 -0.171 0.000 1.551 387 M HN 0.605 nan 8.290 nan 0.000 0.427 388 K N 6.562 127.002 120.400 0.067 0.000 2.376 388 K HA 0.576 4.895 4.320 -0.002 0.000 0.257 388 K C -2.807 173.829 176.600 0.061 0.000 0.939 388 K CA -1.761 54.553 56.287 0.044 0.000 0.809 388 K CB 1.881 34.363 32.500 -0.031 0.000 1.121 388 K HN 0.348 nan 8.250 nan 0.000 0.425 389 P HA 0.036 nan 4.420 nan 0.000 0.275 389 P C -0.720 176.492 177.300 -0.146 0.000 1.266 389 P CA -0.419 62.515 63.100 -0.278 0.000 0.793 389 P CB 0.551 32.091 31.700 -0.266 0.000 1.074 390 Q N 1.110 120.824 119.800 -0.143 0.000 2.835 390 Q HA 0.286 4.625 4.340 -0.002 0.000 0.235 390 Q C 0.175 176.202 176.000 0.044 0.000 1.313 390 Q CA 0.248 56.022 55.803 -0.049 0.000 1.053 390 Q CB -0.073 28.633 28.738 -0.054 0.000 1.443 390 Q HN 0.319 nan 8.270 nan 0.000 0.576 391 R N 0.599 121.115 120.500 0.027 0.000 2.817 391 R HA 0.559 4.898 4.340 -0.002 0.000 0.268 391 R C -0.538 175.794 176.300 0.052 0.000 1.027 391 R CA -0.716 55.414 56.100 0.051 0.000 0.928 391 R CB 1.538 31.834 30.300 -0.007 0.000 1.228 391 R HN 0.184 nan 8.270 nan 0.000 0.469 392 E N -0.083 120.166 120.200 0.082 0.000 2.294 392 E HA 0.424 4.773 4.350 -0.002 0.000 0.272 392 E C 0.008 176.630 176.600 0.037 0.000 0.896 392 E CA -0.237 56.185 56.400 0.037 0.000 0.802 392 E CB 1.899 31.634 29.700 0.058 0.000 1.267 392 E HN 0.896 nan 8.360 nan 0.000 0.406 393 G N 1.523 110.300 108.800 -0.040 0.000 2.559 393 G HA2 0.199 4.158 3.960 -0.002 0.000 0.202 393 G HA3 0.199 4.158 3.960 -0.002 0.000 0.202 393 G C 0.517 175.413 174.900 -0.007 0.000 0.992 393 G CA 0.205 45.271 45.100 -0.057 0.000 0.764 393 G HN 1.112 nan 8.290 nan 0.000 0.525 394 G N -1.296 107.502 108.800 -0.003 0.000 2.781 394 G HA2 0.459 4.418 3.960 -0.002 0.000 0.683 394 G HA3 0.459 4.418 3.960 -0.002 0.000 0.683 394 G C 1.260 176.171 174.900 0.019 0.000 1.390 394 G CA 0.985 46.090 45.100 0.009 0.000 0.850 394 G HN 2.440 nan 8.290 nan 0.000 0.557 395 G N -0.760 108.040 108.800 0.001 0.000 2.905 395 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.199 395 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.199 395 G C 1.139 176.039 174.900 -0.000 0.000 1.370 395 G CA 0.829 45.924 45.100 -0.008 0.000 0.966 395 G HN 1.461 nan 8.290 nan 0.000 0.522 396 N N 1.786 120.494 118.700 0.014 0.000 2.290 396 N HA 0.014 4.753 4.740 -0.002 0.000 0.179 396 N C 0.685 176.214 175.510 0.031 0.000 1.016 396 N CA 0.630 53.692 53.050 0.021 0.000 0.871 396 N CB -0.373 38.118 38.487 0.007 0.000 0.987 396 N HN 0.458 nan 8.380 nan 0.000 0.431 397 N N 1.370 120.077 118.700 0.013 0.000 2.273 397 N HA 0.084 4.823 4.740 -0.002 0.000 0.227 397 N C -0.066 175.380 175.510 -0.107 0.000 1.292 397 N CA 0.508 53.514 53.050 -0.074 0.000 0.875 397 N CB 0.728 39.118 38.487 -0.162 0.000 1.105 397 N HN 0.140 nan 8.380 nan 0.000 0.434 398 I N 0.714 121.086 120.570 -0.330 0.000 2.569 398 I HA 0.338 4.507 4.170 -0.002 0.000 0.290 398 I C -1.150 174.646 176.117 -0.534 0.000 1.088 398 I CA -0.666 60.474 61.300 -0.267 0.000 1.047 398 I CB 1.311 39.209 38.000 -0.170 0.000 1.237 398 I HN 0.310 nan 8.210 nan 0.000 0.421 399 Y N 2.357 122.423 120.300 -0.389 0.000 2.609 399 Y HA 0.692 5.241 4.550 -0.002 0.000 0.342 399 Y C 1.109 176.834 175.900 -0.292 0.000 1.058 399 Y CA -0.164 57.659 58.100 -0.462 0.000 1.055 399 Y CB 1.250 39.037 38.460 -1.122 0.000 1.292 399 Y HN 0.771 nan 8.280 nan 0.000 0.476 400 G N 1.150 110.002 108.800 0.087 0.000 2.699 400 G HA2 -0.433 3.526 3.960 -0.002 0.000 0.351 400 G HA3 -0.433 3.526 3.960 -0.002 0.000 0.351 400 G C 0.958 175.918 174.900 0.100 0.000 1.191 400 G CA 1.488 46.684 45.100 0.160 0.000 0.953 400 G HN 0.671 nan 8.290 nan 0.000 0.557 401 D N 0.379 120.854 120.400 0.127 0.000 2.084 401 D HA -0.035 4.604 4.640 -0.002 0.000 0.194 401 D C 2.263 178.587 176.300 0.040 0.000 0.990 401 D CA 1.378 55.428 54.000 0.083 0.000 0.826 401 D CB -0.437 40.423 40.800 0.099 0.000 0.971 401 D HN 0.620 nan 8.370 nan 0.000 0.453 402 E N 0.252 120.475 120.200 0.040 0.000 2.265 402 E HA -0.127 4.222 4.350 -0.002 0.000 0.196 402 E C 2.204 178.773 176.600 -0.052 0.000 0.996 402 E CA 0.165 56.567 56.400 0.004 0.000 0.832 402 E CB -0.009 29.705 29.700 0.022 0.000 0.756 402 E HN 0.240 nan 8.360 nan 0.000 0.491 403 L N 0.390 121.575 121.223 -0.064 0.000 2.068 403 L HA -0.101 4.238 4.340 -0.002 0.000 0.204 403 L C 2.781 179.587 176.870 -0.107 0.000 1.076 403 L CA 0.939 55.712 54.840 -0.113 0.000 0.753 403 L CB -0.224 41.772 42.059 -0.106 0.000 0.910 403 L HN 0.000 nan 8.230 nan 0.000 0.439 404 R N -0.140 120.323 120.500 -0.061 0.000 2.083 404 R HA -0.232 4.107 4.340 -0.002 0.000 0.237 404 R C 2.069 178.329 176.300 -0.065 0.000 1.137 404 R CA 2.019 58.082 56.100 -0.062 0.000 0.951 404 R CB -0.144 30.140 30.300 -0.028 0.000 0.851 404 R HN 0.348 nan 8.270 nan 0.000 0.434 405 E N -0.575 119.596 120.200 -0.048 0.000 2.153 405 E HA -0.113 4.236 4.350 -0.002 0.000 0.194 405 E C 1.843 178.402 176.600 -0.067 0.000 0.988 405 E CA 1.767 58.141 56.400 -0.044 0.000 0.811 405 E CB -0.220 29.467 29.700 -0.022 0.000 0.746 405 E HN 0.354 nan 8.360 nan 0.000 0.466 406 T N 0.349 114.842 114.554 -0.103 0.000 2.894 406 T HA 0.064 4.413 4.350 -0.002 0.000 0.258 406 T C 1.858 176.458 174.700 -0.166 0.000 1.043 406 T CA 0.323 62.334 62.100 -0.149 0.000 1.141 406 T CB -0.079 68.652 68.868 -0.228 0.000 0.873 406 T HN 0.069 nan 8.240 nan 0.000 0.449 407 L N 0.665 121.788 121.223 -0.167 0.000 2.083 407 L HA -0.031 4.308 4.340 -0.002 0.000 0.209 407 L C 2.399 179.203 176.870 -0.111 0.000 1.083 407 L CA 1.120 55.866 54.840 -0.156 0.000 0.752 407 L CB -0.555 41.406 42.059 -0.163 0.000 0.899 407 L HN 0.295 nan 8.230 nan 0.000 0.433 408 L N -0.242 120.927 121.223 -0.089 0.000 1.956 408 L HA -0.225 4.114 4.340 -0.002 0.000 0.216 408 L C 1.442 178.279 176.870 -0.056 0.000 1.073 408 L CA 1.404 56.205 54.840 -0.065 0.000 0.762 408 L CB -0.486 41.543 42.059 -0.051 0.000 0.889 408 L HN 0.177 nan 8.230 nan 0.000 0.433 418 D N 0.496 120.944 120.400 0.080 0.000 2.234 418 D HA -0.035 4.604 4.640 -0.002 0.000 0.205 418 D C 1.774 178.148 176.300 0.122 0.000 0.962 418 D CA 0.883 54.958 54.000 0.125 0.000 0.855 418 D CB 0.111 40.948 40.800 0.062 0.000 0.951 418 D HN 0.232 nan 8.370 nan 0.000 0.500 419 A N 0.821 123.665 122.820 0.041 0.000 2.076 419 A HA 0.090 4.409 4.320 -0.002 0.000 0.220 419 A C 2.397 179.944 177.584 -0.061 0.000 1.160 419 A CA 1.567 53.599 52.037 -0.008 0.000 0.653 419 A CB -1.013 17.969 19.000 -0.030 0.000 0.801 419 A HN 0.387 nan 8.150 nan 0.000 0.455 420 A N -1.454 121.304 122.820 -0.104 0.000 1.986 420 A HA 0.062 4.381 4.320 -0.002 0.000 0.220 420 A C 0.761 178.033 177.584 -0.520 0.000 1.171 420 A CA 0.949 52.789 52.037 -0.329 0.000 0.640 420 A CB -0.434 18.304 19.000 -0.436 0.000 0.811 420 A HN 0.541 nan 8.150 nan 0.000 0.451 421 Y N -1.211 119.070 120.300 -0.031 0.000 2.528 421 Y HA 0.605 5.154 4.550 -0.002 0.000 0.335 421 Y C 0.172 176.054 175.900 -0.029 0.000 1.093 421 Y CA -1.341 56.739 58.100 -0.035 0.000 1.134 421 Y CB 1.085 39.522 38.460 -0.039 0.000 1.253 421 Y HN 0.285 nan 8.280 nan 0.000 0.478 422 I N -0.586 120.064 120.570 0.134 0.000 3.023 422 I HA 0.680 4.849 4.170 -0.002 0.000 0.312 422 I C -1.626 174.564 176.117 0.121 0.000 1.056 422 I CA -1.146 60.212 61.300 0.096 0.000 1.033 422 I CB 1.530 39.541 38.000 0.019 0.000 1.233 422 I HN 0.237 nan 8.210 nan 0.000 0.462 423 L N 3.516 124.838 121.223 0.165 0.000 2.334 423 L HA 0.635 4.974 4.340 -0.002 0.000 0.276 423 L C -0.505 176.565 176.870 0.332 0.000 1.014 423 L CA -0.430 54.565 54.840 0.258 0.000 0.815 423 L CB 1.542 43.802 42.059 0.334 0.000 1.268 423 L HN 0.821 nan 8.230 nan 0.000 0.428 424 M N 2.451 122.244 119.600 0.322 0.000 2.446 424 M HA 0.330 4.809 4.480 -0.002 0.000 0.294 424 M C -0.478 175.993 176.300 0.285 0.000 1.158 424 M CA -0.618 54.790 55.300 0.181 0.000 0.899 424 M CB 2.138 34.730 32.600 -0.012 0.000 1.687 424 M HN 0.672 nan 8.290 nan 0.000 0.455 425 Q N 4.638 124.559 119.800 0.202 0.000 2.362 425 Q HA -0.029 4.310 4.340 -0.002 0.000 0.305 425 Q C -0.509 175.445 176.000 -0.076 0.000 1.120 425 Q CA 0.572 56.397 55.803 0.037 0.000 1.011 425 Q CB 0.445 29.223 28.738 0.067 0.000 1.048 425 Q HN 0.577 nan 8.270 nan 0.000 0.386 426 R N 4.571 124.977 120.500 -0.158 0.000 2.480 426 R HA 0.043 4.382 4.340 -0.002 0.000 0.303 426 R C -0.449 175.646 176.300 -0.341 0.000 0.985 426 R CA 0.311 56.263 56.100 -0.246 0.000 1.051 426 R CB 0.104 30.255 30.300 -0.248 0.000 0.935 426 R HN 0.587 nan 8.270 nan 0.000 0.410 427 I N 5.023 125.368 120.570 -0.375 0.000 2.428 427 I HA 0.210 4.379 4.170 -0.002 0.000 0.296 427 I C -0.417 175.407 176.117 -0.489 0.000 0.985 427 I CA -0.280 60.868 61.300 -0.253 0.000 1.260 427 I CB 1.035 38.993 38.000 -0.070 0.000 1.389 427 I HN 0.441 nan 8.210 nan 0.000 0.484 428 F N 6.361 126.351 119.950 0.065 0.000 2.564 428 F HA 0.408 4.934 4.527 -0.002 0.000 0.368 428 F C -2.262 173.570 175.800 0.053 0.000 1.127 428 F CA -2.010 56.028 58.000 0.062 0.000 1.170 428 F CB 0.543 39.573 39.000 0.049 0.000 1.397 428 F HN 0.194 nan 8.300 nan 0.000 0.493 429 P HA 0.107 nan 4.420 nan 0.000 0.271 429 P C -0.339 177.034 177.300 0.122 0.000 1.233 429 P CA -0.334 62.840 63.100 0.122 0.000 0.789 429 P CB 0.698 32.467 31.700 0.116 0.000 0.951 430 A N 1.564 124.425 122.820 0.067 0.000 2.524 430 A HA 0.196 4.515 4.320 -0.002 0.000 0.250 430 A C 0.638 178.263 177.584 0.068 0.000 1.078 430 A CA 0.638 52.703 52.037 0.046 0.000 0.761 430 A CB -0.802 18.200 19.000 0.003 0.000 1.012 430 A HN 0.473 nan 8.150 nan 0.000 0.500 431 T N 1.671 116.269 114.554 0.074 0.000 2.828 431 T HA 0.529 4.878 4.350 -0.002 0.000 0.290 431 T C 0.533 175.286 174.700 0.089 0.000 1.019 431 T CA 0.600 62.763 62.100 0.105 0.000 1.031 431 T CB 0.414 69.343 68.868 0.102 0.000 1.001 431 T HN 1.236 nan 8.240 nan 0.000 0.531 432 S N 1.445 117.217 115.700 0.120 0.000 2.541 432 S HA 0.614 5.083 4.470 -0.002 0.000 0.271 432 S C -3.328 171.319 174.600 0.077 0.000 1.133 432 S CA -1.688 56.553 58.200 0.068 0.000 0.876 432 S CB 1.745 64.967 63.200 0.036 0.000 1.105 432 S HN 0.280 nan 8.310 nan 0.000 0.470 433 P HA 0.497 nan 4.420 nan 0.000 0.271 433 P C -1.028 176.217 177.300 -0.091 0.000 1.216 433 P CA 0.030 62.856 63.100 -0.456 0.000 0.771 433 P CB 0.697 31.925 31.700 -0.787 0.000 0.864 434 A N 3.632 126.501 122.820 0.081 0.000 2.454 434 A HA 0.680 4.999 4.320 -0.002 0.000 0.302 434 A C -1.071 176.691 177.584 0.296 0.000 1.079 434 A CA -0.583 51.591 52.037 0.229 0.000 0.731 434 A CB 1.109 20.212 19.000 0.172 0.000 1.299 434 A HN 0.347 nan 8.150 nan 0.000 0.413 435 I N 2.619 123.290 120.570 0.169 0.000 2.312 435 I HA 0.268 4.437 4.170 -0.002 0.000 0.290 435 I C -0.562 175.633 176.117 0.131 0.000 1.008 435 I CA -0.050 61.332 61.300 0.137 0.000 1.226 435 I CB 0.621 38.602 38.000 -0.031 0.000 1.371 435 I HN 0.462 nan 8.210 nan 0.000 0.468 436 L N 7.021 128.349 121.223 0.175 0.000 2.272 436 L HA 0.521 4.860 4.340 -0.002 0.000 0.289 436 L C -0.289 176.686 176.870 0.175 0.000 1.032 436 L CA -0.830 54.099 54.840 0.149 0.000 0.810 436 L CB 1.659 43.792 42.059 0.124 0.000 1.205 436 L HN 0.211 nan 8.230 nan 0.000 0.422 437 V N 4.127 124.139 119.914 0.162 0.000 2.417 437 V HA 0.541 4.660 4.120 -0.002 0.000 0.291 437 V C -0.001 176.260 176.094 0.279 0.000 1.024 437 V CA -0.641 61.775 62.300 0.193 0.000 0.861 437 V CB 1.645 33.524 31.823 0.093 0.000 0.985 437 V HN 0.746 nan 8.190 nan 0.000 0.436 438 R N 2.065 122.722 120.500 0.260 0.000 2.673 438 R HA 0.353 4.692 4.340 -0.002 0.000 0.281 438 R C -0.447 175.958 176.300 0.175 0.000 0.991 438 R CA -0.897 55.318 56.100 0.192 0.000 0.896 438 R CB 1.531 31.866 30.300 0.059 0.000 1.201 438 R HN 0.803 nan 8.270 nan 0.000 0.457 439 D N 1.630 122.041 120.400 0.019 0.000 2.808 439 D HA -0.223 4.416 4.640 -0.002 0.000 0.220 439 D C 0.819 177.231 176.300 0.187 0.000 1.215 439 D CA 2.226 56.254 54.000 0.045 0.000 0.608 439 D CB -0.780 40.010 40.800 -0.017 0.000 1.005 439 D HN 0.945 nan 8.370 nan 0.000 0.403 440 G N -0.772 108.266 108.800 0.396 0.000 2.175 440 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.244 440 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.244 440 G C 0.195 175.174 174.900 0.132 0.000 0.982 440 G CA 0.133 45.354 45.100 0.201 0.000 0.641 440 G HN 0.550 nan 8.290 nan 0.000 0.527 441 N N 0.350 119.123 118.700 0.122 0.000 2.319 441 N HA 0.630 5.369 4.740 -0.002 0.000 0.305 441 N C -0.173 175.398 175.510 0.101 0.000 1.103 441 N CA -0.156 52.918 53.050 0.040 0.000 0.815 441 N CB 1.253 39.714 38.487 -0.043 0.000 1.288 441 N HN 0.543 nan 8.380 nan 0.000 0.493 442 W N 0.795 122.095 121.300 0.001 0.000 2.689 442 W HA 0.648 5.307 4.660 -0.002 0.000 0.340 442 W C -1.294 175.214 176.519 -0.019 0.000 1.060 442 W CA -0.555 56.784 57.345 -0.009 0.000 1.218 442 W CB 1.243 30.688 29.460 -0.026 0.000 1.410 442 W HN 0.282 nan 8.180 nan 0.000 0.528 443 D N 0.860 121.392 120.400 0.220 0.000 2.579 443 D HA 0.369 5.008 4.640 -0.002 0.000 0.257 443 D C -0.728 175.715 176.300 0.239 0.000 1.176 443 D CA -0.219 53.840 54.000 0.099 0.000 0.914 443 D CB 2.735 43.514 40.800 -0.035 0.000 1.431 443 D HN 0.370 nan 8.370 nan 0.000 0.454 444 T N -1.391 113.208 114.554 0.075 0.000 2.907 444 T HA 0.823 5.172 4.350 -0.002 0.000 0.284 444 T C 0.393 175.016 174.700 -0.128 0.000 1.004 444 T CA -0.617 61.386 62.100 -0.162 0.000 1.063 444 T CB 1.654 70.124 68.868 -0.663 0.000 0.992 444 T HN 0.413 nan 8.240 nan 0.000 0.483 445 G N 0.382 109.159 108.800 -0.038 0.000 2.623 445 G HA2 0.558 4.517 3.960 -0.002 0.000 0.290 445 G HA3 0.558 4.517 3.960 -0.002 0.000 0.290 445 G C -2.164 172.698 174.900 -0.064 0.000 1.437 445 G CA -0.952 44.145 45.100 -0.005 0.000 0.798 445 G HN 0.875 nan 8.290 nan 0.000 0.488 446 H N -1.047 118.153 119.070 0.216 0.000 2.589 446 H HA 0.604 5.159 4.556 -0.002 0.000 0.335 446 H C 0.207 175.613 175.328 0.130 0.000 1.019 446 H CA -0.571 55.580 56.048 0.170 0.000 1.213 446 H CB 2.063 31.905 29.762 0.133 0.000 1.472 446 H HN 0.567 nan 8.280 nan 0.000 0.508 447 V N 1.711 121.749 119.914 0.206 0.000 3.113 447 V HA 0.701 4.820 4.120 -0.002 0.000 0.316 447 V C -0.117 176.074 176.094 0.162 0.000 1.125 447 V CA -1.079 61.321 62.300 0.168 0.000 1.026 447 V CB 1.918 33.833 31.823 0.153 0.000 1.080 447 V HN 0.768 nan 8.190 nan 0.000 0.444 448 I N -0.672 119.991 120.570 0.155 0.000 2.892 448 I HA 0.872 5.041 4.170 -0.002 0.000 0.306 448 I C -0.356 175.863 176.117 0.170 0.000 1.078 448 I CA -0.595 60.799 61.300 0.157 0.000 1.032 448 I CB 2.344 40.431 38.000 0.146 0.000 1.229 448 I HN 0.570 nan 8.210 nan 0.000 0.435 449 S N 2.112 117.929 115.700 0.196 0.000 2.482 449 S HA 0.411 4.880 4.470 -0.002 0.000 0.303 449 S C -0.833 173.923 174.600 0.261 0.000 1.091 449 S CA -0.579 57.759 58.200 0.230 0.000 1.057 449 S CB 1.508 64.862 63.200 0.257 0.000 1.031 449 S HN 0.737 nan 8.310 nan 0.000 0.485 450 E N 2.045 122.378 120.200 0.223 0.000 2.220 450 E HA 0.569 4.918 4.350 -0.002 0.000 0.256 450 E C -0.980 175.733 176.600 0.189 0.000 0.881 450 E CA -0.808 55.717 56.400 0.207 0.000 0.766 450 E CB 1.018 30.802 29.700 0.141 0.000 1.187 450 E HN 0.698 nan 8.360 nan 0.000 0.419 451 A N 3.523 126.474 122.820 0.218 0.000 2.309 451 A HA 0.567 4.886 4.320 -0.002 0.000 0.290 451 A C 0.326 177.972 177.584 0.103 0.000 1.206 451 A CA 0.037 52.164 52.037 0.150 0.000 0.850 451 A CB 0.799 19.806 19.000 0.011 0.000 1.118 451 A HN 0.602 nan 8.150 nan 0.000 0.523 452 G N 2.448 111.263 108.800 0.026 0.000 2.347 452 G HA2 0.524 4.483 3.960 -0.002 0.000 0.314 452 G HA3 0.524 4.483 3.960 -0.002 0.000 0.314 452 G C -0.431 174.324 174.900 -0.242 0.000 1.126 452 G CA -0.337 44.650 45.100 -0.187 0.000 0.929 452 G HN 0.535 nan 8.290 nan 0.000 0.441 453 I N 3.255 123.697 120.570 -0.213 0.000 2.328 453 I HA 0.314 4.483 4.170 -0.002 0.000 0.287 453 I C -0.382 175.658 176.117 -0.128 0.000 1.012 453 I CA -1.222 60.022 61.300 -0.094 0.000 1.195 453 I CB 0.756 38.739 38.000 -0.028 0.000 1.350 453 I HN 0.254 nan 8.210 nan 0.000 0.464 454 F N 3.886 123.884 119.950 0.081 0.000 2.429 454 F HA 0.511 5.037 4.527 -0.001 0.000 0.348 454 F C 1.265 177.107 175.800 0.070 0.000 1.109 454 F CA 0.081 58.120 58.000 0.066 0.000 1.232 454 F CB 0.991 40.037 39.000 0.077 0.000 1.157 454 F HN 0.479 nan 8.300 nan 0.000 0.564 455 G N 0.574 109.543 108.800 0.282 0.000 2.495 455 G HA2 0.602 4.561 3.960 -0.002 0.000 0.318 455 G HA3 0.602 4.561 3.960 -0.002 0.000 0.318 455 G C -1.202 173.837 174.900 0.232 0.000 1.257 455 G CA -0.772 44.459 45.100 0.219 0.000 0.962 455 G HN 0.677 nan 8.290 nan 0.000 0.483 456 T N -1.280 113.401 114.554 0.213 0.000 2.863 456 T HA 0.684 5.033 4.350 -0.002 0.000 0.285 456 T C -1.412 173.454 174.700 0.277 0.000 1.009 456 T CA -0.838 61.385 62.100 0.205 0.000 0.989 456 T CB 2.013 70.953 68.868 0.120 0.000 1.004 456 T HN 0.574 nan 8.240 nan 0.000 0.455 457 Y N 2.071 122.441 120.300 0.117 0.000 2.479 457 Y HA 0.692 5.241 4.550 -0.002 0.000 0.338 457 Y C -2.086 173.878 175.900 0.107 0.000 1.055 457 Y CA -1.594 56.580 58.100 0.123 0.000 1.023 457 Y CB 2.016 40.583 38.460 0.178 0.000 1.287 457 Y HN 0.929 nan 8.280 nan 0.000 0.447 458 L N 6.280 127.313 121.223 -0.317 0.000 2.580 458 L HA 0.556 4.895 4.340 -0.002 0.000 0.266 458 L C -1.794 174.848 176.870 -0.381 0.000 0.955 458 L CA -0.472 54.235 54.840 -0.221 0.000 0.886 458 L CB 1.534 43.551 42.059 -0.071 0.000 1.263 458 L HN 0.681 nan 8.230 nan 0.000 0.406 459 R N 3.322 123.650 120.500 -0.286 0.000 2.215 459 R HA 0.319 4.658 4.340 -0.002 0.000 0.336 459 R C -0.356 175.917 176.300 -0.046 0.000 0.996 459 R CA -0.188 55.822 56.100 -0.150 0.000 0.847 459 R CB 1.002 31.334 30.300 0.054 0.000 1.127 459 R HN 0.832 nan 8.270 nan 0.000 0.465 460 N N 2.480 121.157 118.700 -0.038 0.000 2.830 460 N HA 0.083 4.822 4.740 -0.002 0.000 0.232 460 N C 0.708 176.217 175.510 -0.001 0.000 1.062 460 N CA 0.668 53.711 53.050 -0.013 0.000 1.204 460 N CB 0.522 38.999 38.487 -0.018 0.000 1.589 460 N HN 0.291 nan 8.380 nan 0.000 0.604 461 K N 0.295 120.694 120.400 -0.002 0.000 2.253 461 K HA 0.097 4.416 4.320 -0.002 0.000 0.225 461 K C 0.718 177.334 176.600 0.026 0.000 1.037 461 K CA 1.059 57.354 56.287 0.013 0.000 0.928 461 K CB -0.271 32.235 32.500 0.010 0.000 1.057 461 K HN 0.429 nan 8.250 nan 0.000 0.462 462 D N 0.896 121.309 120.400 0.021 0.000 2.369 462 D HA -0.020 4.619 4.640 -0.002 0.000 0.211 462 D C 0.305 176.616 176.300 0.017 0.000 1.077 462 D CA 0.022 54.038 54.000 0.027 0.000 0.842 462 D CB 0.200 41.014 40.800 0.022 0.000 0.947 462 D HN -0.095 nan 8.370 nan 0.000 0.509 463 K N 1.912 122.314 120.400 0.003 0.000 2.253 463 K HA 0.335 4.654 4.320 -0.002 0.000 0.277 463 K C -0.548 176.031 176.600 -0.034 0.000 1.053 463 K CA -0.800 55.482 56.287 -0.009 0.000 0.892 463 K CB 0.664 33.158 32.500 -0.010 0.000 1.102 463 K HN 0.106 nan 8.250 nan 0.000 0.469 464 I N 4.079 124.628 120.570 -0.036 0.000 2.304 464 I HA 0.324 4.493 4.170 -0.002 0.000 0.291 464 I C -0.148 175.915 176.117 -0.089 0.000 1.018 464 I CA 0.072 61.314 61.300 -0.096 0.000 1.260 464 I CB 0.769 38.720 38.000 -0.082 0.000 1.390 464 I HN 0.804 nan 8.210 nan 0.000 0.475 465 I N 6.410 126.909 120.570 -0.119 0.000 2.703 465 I HA 0.246 4.415 4.170 -0.002 0.000 0.259 465 I C 0.427 176.512 176.117 -0.054 0.000 1.151 465 I CA 0.765 62.026 61.300 -0.065 0.000 1.470 465 I CB 0.121 38.089 38.000 -0.053 0.000 1.112 465 I HN 0.510 nan 8.210 nan 0.000 0.437 466 I N 0.512 121.024 120.570 -0.096 0.000 2.571 466 I HA 0.265 4.434 4.170 -0.002 0.000 0.289 466 I C -1.058 175.043 176.117 -0.027 0.000 1.115 466 I CA -0.543 60.739 61.300 -0.030 0.000 1.045 466 I CB 1.977 39.975 38.000 -0.003 0.000 1.238 466 I HN -0.050 nan 8.210 nan 0.000 0.424 467 N N 5.887 124.632 118.700 0.075 0.000 2.701 467 N HA 0.357 5.096 4.740 -0.002 0.000 0.258 467 N C -1.957 173.655 175.510 0.170 0.000 1.262 467 N CA -0.438 52.738 53.050 0.209 0.000 0.780 467 N CB 0.997 39.633 38.487 0.248 0.000 1.380 467 N HN 0.677 nan 8.380 nan 0.000 0.548 468 N N 0.451 119.254 118.700 0.170 0.000 2.225 468 N HA 0.136 4.875 4.740 -0.002 0.000 0.298 468 N C -1.387 174.204 175.510 0.134 0.000 1.076 468 N CA -0.660 52.466 53.050 0.127 0.000 0.792 468 N CB 2.238 40.790 38.487 0.109 0.000 1.498 468 N HN 0.344 nan 8.380 nan 0.000 0.474 469 E N 1.011 121.277 120.200 0.111 0.000 2.324 469 E HA 0.107 4.456 4.350 -0.002 0.000 0.271 469 E C -0.927 175.760 176.600 0.145 0.000 1.028 469 E CA 0.327 56.798 56.400 0.118 0.000 0.890 469 E CB 0.630 30.375 29.700 0.075 0.000 1.004 469 E HN 0.458 nan 8.360 nan 0.000 0.431 470 S N 3.386 119.201 115.700 0.192 0.000 2.422 470 S HA 0.450 4.919 4.470 -0.002 0.000 0.226 470 S C 0.194 174.934 174.600 0.234 0.000 1.242 470 S CA -0.051 58.254 58.200 0.174 0.000 1.231 470 S CB 0.474 63.760 63.200 0.144 0.000 1.067 470 S HN 0.929 nan 8.310 nan 0.000 0.462 471 G N 1.708 110.687 108.800 0.298 0.000 2.632 471 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.224 471 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.224 471 G C -0.910 174.366 174.900 0.626 0.000 1.341 471 G CA -0.005 45.337 45.100 0.403 0.000 0.880 471 G HN 1.012 nan 8.290 nan 0.000 0.566 472 Y N -3.221 117.389 120.300 0.518 0.000 2.689 472 Y HA 0.861 5.410 4.550 -0.001 0.000 0.333 472 Y C -0.475 175.711 175.900 0.476 0.000 1.208 472 Y CA -0.927 57.432 58.100 0.432 0.000 1.055 472 Y CB 1.394 40.082 38.460 0.381 0.000 1.304 472 Y HN 1.439 nan 8.280 nan 0.000 0.455 473 M N 3.076 122.915 119.600 0.399 0.000 2.575 473 M HA 0.811 5.290 4.480 -0.002 0.000 0.284 473 M C -2.326 174.188 176.300 0.356 0.000 1.253 473 M CA -0.919 54.577 55.300 0.327 0.000 0.861 473 M CB 2.108 34.916 32.600 0.346 0.000 1.733 473 M HN 1.212 nan 8.290 nan 0.000 0.462 474 V N 3.047 123.141 119.914 0.300 0.000 2.808 474 V HA 0.705 4.824 4.120 -0.002 0.000 0.308 474 V C -1.690 174.525 176.094 0.203 0.000 1.099 474 V CA -0.655 61.788 62.300 0.238 0.000 0.920 474 V CB 2.402 34.360 31.823 0.225 0.000 1.014 474 V HN 1.091 nan 8.190 nan 0.000 0.425 475 R N 3.306 123.923 120.500 0.196 0.000 2.393 475 R HA 0.767 5.106 4.340 -0.002 0.000 0.310 475 R C -0.883 175.523 176.300 0.177 0.000 0.968 475 R CA -0.235 55.981 56.100 0.193 0.000 0.867 475 R CB 1.860 32.276 30.300 0.194 0.000 1.124 475 R HN 0.899 nan 8.270 nan 0.000 0.450 476 T N 4.354 119.009 114.554 0.170 0.000 2.861 476 T HA 0.431 4.780 4.350 -0.002 0.000 0.287 476 T C -1.348 173.447 174.700 0.157 0.000 1.003 476 T CA -0.848 61.351 62.100 0.165 0.000 0.977 476 T CB 1.464 70.432 68.868 0.166 0.000 0.996 476 T HN 0.652 nan 8.240 nan 0.000 0.448 477 K N 1.358 121.849 120.400 0.152 0.000 2.536 477 K HA 0.604 4.923 4.320 -0.002 0.000 0.269 477 K C -0.947 175.735 176.600 0.136 0.000 0.965 477 K CA -1.123 55.253 56.287 0.148 0.000 0.860 477 K CB 1.096 33.687 32.500 0.151 0.000 1.423 477 K HN 0.220 nan 8.250 nan 0.000 0.438 478 I N 3.171 123.817 120.570 0.127 0.000 2.826 478 I HA -0.143 4.026 4.170 -0.002 0.000 0.295 478 I C 1.830 178.014 176.117 0.112 0.000 1.213 478 I CA 0.534 61.904 61.300 0.117 0.000 1.436 478 I CB 0.529 38.587 38.000 0.096 0.000 1.348 478 I HN 1.005 nan 8.210 nan 0.000 0.570 479 S N 4.248 120.027 115.700 0.131 0.000 2.392 479 S HA -0.210 4.259 4.470 -0.002 0.000 0.232 479 S C 1.562 176.229 174.600 0.111 0.000 1.041 479 S CA 1.395 59.675 58.200 0.134 0.000 1.026 479 S CB -0.464 62.828 63.200 0.153 0.000 0.845 479 S HN 0.790 nan 8.310 nan 0.000 0.465 480 S N 0.449 116.192 115.700 0.070 0.000 2.575 480 S HA 0.286 4.755 4.470 -0.002 0.000 0.215 480 S C 0.549 175.084 174.600 -0.109 0.000 0.966 480 S CA -0.390 57.817 58.200 0.012 0.000 0.911 480 S CB -0.363 62.834 63.200 -0.005 0.000 0.780 480 S HN 0.357 nan 8.310 nan 0.000 0.514 481 S N 1.915 117.583 115.700 -0.054 0.000 2.560 481 S HA 0.253 4.722 4.470 -0.002 0.000 0.284 481 S C 0.290 174.818 174.600 -0.120 0.000 1.327 481 S CA -0.369 57.774 58.200 -0.094 0.000 1.055 481 S CB 0.128 63.361 63.200 0.056 0.000 0.868 481 S HN 0.353 nan 8.310 nan 0.000 0.506 482 Y N 1.120 121.242 120.300 -0.297 0.000 2.138 482 Y HA 0.110 4.659 4.550 -0.002 0.000 0.286 482 Y C 1.391 177.064 175.900 -0.377 0.000 1.115 482 Y CA 0.315 57.998 58.100 -0.695 0.000 1.105 482 Y CB -0.634 37.428 38.460 -0.663 0.000 1.004 482 Y HN 0.610 nan 8.280 nan 0.000 0.494 483 E N -0.585 119.538 120.200 -0.129 0.000 2.366 483 E HA 0.370 4.719 4.350 -0.002 0.000 0.266 483 E C 0.312 176.916 176.600 0.008 0.000 1.051 483 E CA 0.216 56.498 56.400 -0.196 0.000 0.884 483 E CB 0.779 30.015 29.700 -0.773 0.000 1.006 483 E HN 0.392 nan 8.360 nan 0.000 0.417 484 G N 2.052 110.909 108.800 0.094 0.000 4.238 484 G HA2 0.198 4.157 3.960 -0.002 0.000 0.292 484 G HA3 0.198 4.157 3.960 -0.002 0.000 0.292 484 G C 0.305 175.339 174.900 0.224 0.000 1.036 484 G CA -0.302 44.914 45.100 0.193 0.000 0.812 484 G HN 0.548 nan 8.290 nan 0.000 0.489 485 G N 0.255 109.200 108.800 0.242 0.000 2.343 485 G HA2 0.337 4.296 3.960 -0.002 0.000 0.254 485 G HA3 0.337 4.296 3.960 -0.002 0.000 0.254 485 G C 1.016 176.083 174.900 0.278 0.000 1.277 485 G CA -0.061 45.176 45.100 0.228 0.000 0.909 485 G HN 0.082 nan 8.290 nan 0.000 0.502 486 V N 3.731 123.811 119.914 0.276 0.000 2.283 486 V HA -0.160 3.959 4.120 -0.002 0.000 0.243 486 V C 2.873 179.095 176.094 0.214 0.000 1.039 486 V CA 1.505 63.967 62.300 0.270 0.000 1.016 486 V CB -0.771 31.270 31.823 0.365 0.000 0.650 486 V HN 0.677 nan 8.190 nan 0.000 0.449 487 L N 0.009 121.378 121.223 0.244 0.000 2.046 487 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 487 L C 0.073 177.023 176.870 0.132 0.000 1.077 487 L CA 1.412 56.357 54.840 0.176 0.000 0.747 487 L CB -1.935 40.235 42.059 0.186 0.000 0.896 487 L HN 0.362 nan 8.230 nan 0.000 0.432 488 P HA -0.107 nan 4.420 nan 0.000 0.223 488 P C 0.953 178.282 177.300 0.049 0.000 1.144 488 P CA 1.746 64.973 63.100 0.212 0.000 0.783 488 P CB 0.012 31.955 31.700 0.405 0.000 0.771 489 G N -3.605 105.181 108.800 -0.023 0.000 2.154 489 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.186 489 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.186 489 G C 0.524 175.167 174.900 -0.429 0.000 1.000 489 G CA -0.234 44.711 45.100 -0.258 0.000 0.664 489 G HN 0.273 nan 8.290 nan 0.000 0.513 490 F N 0.801 120.790 119.950 0.065 0.000 2.694 490 F HA 0.504 5.030 4.527 -0.002 0.000 0.292 490 F C 1.720 177.563 175.800 0.072 0.000 1.121 490 F CA 0.705 58.743 58.000 0.063 0.000 1.352 490 F CB 0.957 39.996 39.000 0.065 0.000 1.107 490 F HN 0.425 nan 8.300 nan 0.000 0.597 491 G N -0.159 108.774 108.800 0.221 0.000 2.680 491 G HA2 0.583 4.542 3.960 -0.002 0.000 0.290 491 G HA3 0.583 4.542 3.960 -0.002 0.000 0.290 491 G C -1.746 173.243 174.900 0.148 0.000 1.355 491 G CA -0.599 44.615 45.100 0.191 0.000 0.903 491 G HN 0.008 nan 8.290 nan 0.000 0.474 492 V N -1.562 118.436 119.914 0.139 0.000 3.001 492 V HA 0.872 4.991 4.120 -0.002 0.000 0.314 492 V C 0.356 176.511 176.094 0.101 0.000 1.099 492 V CA -0.796 61.570 62.300 0.109 0.000 0.989 492 V CB 1.269 33.156 31.823 0.106 0.000 1.040 492 V HN 1.341 nan 8.190 nan 0.000 0.434 493 V N 0.063 119.995 119.914 0.031 0.000 2.953 493 V HA 0.827 4.946 4.120 -0.002 0.000 0.304 493 V C -0.298 175.816 176.094 0.034 0.000 1.073 493 V CA 0.155 62.455 62.300 0.001 0.000 1.064 493 V CB 1.259 32.974 31.823 -0.181 0.000 1.047 493 V HN 1.167 nan 8.190 nan 0.000 0.478 494 D N -0.407 120.030 120.400 0.062 0.000 2.677 494 D HA 0.655 5.294 4.640 -0.002 0.000 0.298 494 D C -0.182 176.211 176.300 0.155 0.000 1.250 494 D CA 0.471 54.564 54.000 0.155 0.000 0.888 494 D CB 2.340 43.263 40.800 0.205 0.000 1.397 494 D HN 1.016 nan 8.370 nan 0.000 0.461 495 T N -2.733 111.999 114.554 0.296 0.000 2.555 495 T HA 0.782 5.131 4.350 -0.002 0.000 0.234 495 T C -0.138 174.643 174.700 0.135 0.000 0.837 495 T CA -0.090 62.188 62.100 0.297 0.000 1.163 495 T CB 0.380 69.456 68.868 0.346 0.000 1.556 495 T HN 0.618 nan 8.240 nan 0.000 0.520 496 V N -1.652 118.231 119.914 -0.052 0.000 3.114 496 V HA 0.769 4.888 4.120 -0.002 0.000 0.308 496 V C -1.804 174.227 176.094 -0.104 0.000 1.168 496 V CA -1.362 60.859 62.300 -0.131 0.000 1.015 496 V CB 1.571 33.121 31.823 -0.454 0.000 1.050 496 V HN 1.018 nan 8.190 nan 0.000 0.433 497 Y N 2.688 122.926 120.300 -0.103 0.000 2.328 497 Y HA 0.721 5.270 4.550 -0.002 0.000 0.333 497 Y C -0.411 175.436 175.900 -0.087 0.000 0.958 497 Y CA -0.796 57.254 58.100 -0.083 0.000 1.167 497 Y CB 1.482 39.937 38.460 -0.009 0.000 1.151 497 Y HN 0.800 nan 8.280 nan 0.000 0.470 498 L N 6.650 127.574 121.223 -0.497 0.000 2.367 498 L HA 0.313 4.652 4.340 -0.002 0.000 0.275 498 L C 0.632 177.430 176.870 -0.119 0.000 1.129 498 L CA -0.218 54.466 54.840 -0.259 0.000 0.839 498 L CB 0.850 42.729 42.059 -0.300 0.000 1.133 498 L HN 0.734 nan 8.230 nan 0.000 0.453 499 T N 0.000 114.565 114.554 0.018 0.000 3.816 499 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 499 T CA 0.000 62.133 62.100 0.056 0.000 1.349 499 T CB 0.000 68.909 68.868 0.068 0.000 0.612 499 T HN 0.000 nan 8.240 nan 0.000 0.658