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 3ogm_1_N DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRRXX XXXXXXXXXX DATA SEQUENCE XEHPAHILAY YSLAGQRTDC PTTVRVLKEP I 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.605 174.600 0.009 0.000 1.055 12 S CA 0.000 58.205 58.200 0.008 0.000 1.107 12 S CB 0.000 63.204 63.200 0.007 0.000 0.593 13 C N 2.915 122.221 119.300 0.010 0.000 2.352 13 C HA 0.826 5.287 4.460 0.002 0.000 0.387 13 C C 0.769 175.767 174.990 0.012 0.000 1.294 13 C CA -0.235 58.790 59.018 0.011 0.000 2.137 13 C CB 0.768 28.516 27.740 0.013 0.000 2.146 13 C HN 0.946 nan 8.230 nan 0.000 0.559 14 V N 2.792 122.714 119.914 0.013 0.000 2.763 14 V HA 0.334 4.455 4.120 0.002 0.000 0.306 14 V C 0.819 176.923 176.094 0.018 0.000 1.059 14 V CA 0.064 62.373 62.300 0.014 0.000 1.138 14 V CB -0.045 31.787 31.823 0.014 0.000 0.940 14 V HN 1.028 nan 8.190 nan 0.000 0.489 15 A N 4.192 127.022 122.820 0.017 0.000 2.354 15 A HA 0.581 4.902 4.320 0.002 0.000 0.281 15 A C 0.598 178.199 177.584 0.029 0.000 1.174 15 A CA -0.339 51.710 52.037 0.021 0.000 0.828 15 A CB -0.156 18.854 19.000 0.016 0.000 1.099 15 A HN 0.930 nan 8.150 nan 0.000 0.516 16 T N 1.378 115.955 114.554 0.037 0.000 2.862 16 T HA 0.338 4.689 4.350 0.002 0.000 0.276 16 T C 1.614 176.355 174.700 0.069 0.000 0.974 16 T CA -0.313 61.819 62.100 0.053 0.000 0.966 16 T CB 1.045 69.950 68.868 0.062 0.000 1.072 16 T HN 0.371 nan 8.240 nan 0.000 0.538 17 V N 0.162 120.138 119.914 0.104 0.000 2.626 17 V HA -0.114 4.007 4.120 0.002 0.000 0.252 17 V C 2.287 178.468 176.094 0.145 0.000 1.067 17 V CA 1.687 64.074 62.300 0.145 0.000 1.081 17 V CB -0.912 31.065 31.823 0.256 0.000 0.686 17 V HN 0.855 nan 8.190 nan 0.000 0.468 18 D N 0.901 121.393 120.400 0.154 0.000 2.123 18 D HA -0.194 4.447 4.640 0.002 0.000 0.196 18 D C 1.577 177.910 176.300 0.056 0.000 0.992 18 D CA 1.309 55.387 54.000 0.129 0.000 0.833 18 D CB -0.200 40.673 40.800 0.122 0.000 0.954 18 D HN 0.418 nan 8.370 nan 0.000 0.455 19 D N -0.598 119.830 120.400 0.046 0.000 2.358 19 D HA -0.030 4.611 4.640 0.002 0.000 0.241 19 D C 0.861 177.164 176.300 0.006 0.000 1.094 19 D CA 0.179 54.193 54.000 0.023 0.000 0.907 19 D CB 1.059 41.873 40.800 0.024 0.000 0.893 19 D HN 0.127 nan 8.370 nan 0.000 0.528 20 V N 0.101 120.012 119.914 -0.006 0.000 3.623 20 V HA 0.001 4.122 4.120 0.002 0.000 0.283 20 V C 1.147 177.201 176.094 -0.066 0.000 1.643 20 V CA -0.120 62.165 62.300 -0.025 0.000 1.121 20 V CB 0.631 32.446 31.823 -0.013 0.000 0.933 20 V HN -0.062 nan 8.190 nan 0.000 0.420 21 I N 0.931 121.436 120.570 -0.109 0.000 2.353 21 I HA -0.050 4.121 4.170 0.002 0.000 0.248 21 I C 2.096 178.074 176.117 -0.232 0.000 1.119 21 I CA 2.007 63.153 61.300 -0.258 0.000 1.417 21 I CB -0.174 37.538 38.000 -0.479 0.000 1.078 21 I HN 0.379 nan 8.210 nan 0.000 0.421 22 E N 0.136 120.245 120.200 -0.152 0.000 2.114 22 E HA -0.297 4.054 4.350 0.002 0.000 0.199 22 E C 2.084 178.650 176.600 -0.057 0.000 1.008 22 E CA 1.602 57.940 56.400 -0.102 0.000 0.810 22 E CB -0.268 29.396 29.700 -0.059 0.000 0.739 22 E HN 0.655 nan 8.360 nan 0.000 0.456 23 Q N 0.213 119.996 119.800 -0.028 0.000 2.046 23 Q HA -0.107 4.234 4.340 0.002 0.000 0.200 23 Q C 2.524 178.587 176.000 0.105 0.000 0.975 23 Q CA 1.172 57.000 55.803 0.042 0.000 0.836 23 Q CB -0.110 28.648 28.738 0.034 0.000 0.896 23 Q HN 0.211 nan 8.270 nan 0.000 0.428 24 V N 1.144 121.061 119.914 0.005 0.000 2.407 24 V HA -0.269 3.852 4.120 0.002 0.000 0.248 24 V C 2.340 178.481 176.094 0.079 0.000 1.055 24 V CA 1.622 63.930 62.300 0.013 0.000 1.049 24 V CB -0.541 31.228 31.823 -0.090 0.000 0.662 24 V HN 0.306 nan 8.190 nan 0.000 0.455 25 M N 1.708 121.281 119.600 -0.044 0.000 2.108 25 M HA -0.201 4.280 4.480 0.002 0.000 0.257 25 M C 2.123 178.429 176.300 0.009 0.000 1.071 25 M CA 2.557 57.818 55.300 -0.065 0.000 1.093 25 M CB -0.867 31.654 32.600 -0.132 0.000 1.345 25 M HN 0.560 nan 8.290 nan 0.000 0.403 26 T N -2.700 111.871 114.554 0.028 0.000 3.215 26 T HA -0.045 4.306 4.350 0.002 0.000 0.254 26 T C 0.746 175.355 174.700 -0.152 0.000 1.149 26 T CA 0.571 62.633 62.100 -0.063 0.000 1.042 26 T CB -0.708 68.091 68.868 -0.115 0.000 0.966 26 T HN 0.495 nan 8.240 nan 0.000 0.534 27 Y N 0.532 120.808 120.300 -0.041 0.000 2.467 27 Y HA 0.496 5.047 4.550 0.002 0.000 0.250 27 Y C 0.669 176.557 175.900 -0.020 0.000 1.155 27 Y CA -1.329 56.755 58.100 -0.028 0.000 1.249 27 Y CB 0.275 38.721 38.460 -0.024 0.000 1.146 27 Y HN 0.279 nan 8.280 nan 0.000 0.524 28 I N 0.301 120.934 120.570 0.105 0.000 2.291 28 I HA 0.090 4.261 4.170 0.002 0.000 0.292 28 I C 1.246 177.375 176.117 0.020 0.000 1.064 28 I CA 0.082 61.419 61.300 0.061 0.000 1.269 28 I CB 1.269 39.303 38.000 0.057 0.000 1.418 28 I HN 0.012 nan 8.210 nan 0.000 0.485 29 T N 2.624 117.185 114.554 0.013 0.000 2.953 29 T HA -0.061 4.290 4.350 0.002 0.000 0.247 29 T C 0.850 175.541 174.700 -0.014 0.000 1.029 29 T CA 0.303 62.394 62.100 -0.016 0.000 1.144 29 T CB -0.004 68.850 68.868 -0.023 0.000 0.870 29 T HN 0.603 nan 8.240 nan 0.000 0.446 30 D N 2.272 122.674 120.400 0.003 0.000 2.570 30 D HA 0.021 4.662 4.640 0.002 0.000 0.243 30 D C -1.671 174.635 176.300 0.010 0.000 1.171 30 D CA -1.463 52.540 54.000 0.005 0.000 0.879 30 D CB 1.357 42.170 40.800 0.022 0.000 1.143 30 D HN 0.174 nan 8.370 nan 0.000 0.511 31 P HA -0.154 nan 4.420 nan 0.000 0.218 31 P C 1.005 178.328 177.300 0.038 0.000 1.146 31 P CA 1.161 64.263 63.100 0.004 0.000 0.813 31 P CB 0.285 31.977 31.700 -0.013 0.000 0.778 32 K N -0.767 119.657 120.400 0.040 0.000 2.365 32 K HA -0.031 4.290 4.320 0.002 0.000 0.197 32 K C 1.383 178.024 176.600 0.068 0.000 1.042 32 K CA 0.993 57.313 56.287 0.056 0.000 0.987 32 K CB -0.486 32.044 32.500 0.050 0.000 0.779 32 K HN 0.001 nan 8.250 nan 0.000 0.484 33 D N -0.527 119.913 120.400 0.066 0.000 2.240 33 D HA 0.001 4.642 4.640 0.002 0.000 0.206 33 D C 1.636 178.000 176.300 0.106 0.000 0.963 33 D CA 0.317 54.367 54.000 0.083 0.000 0.863 33 D CB 0.289 41.133 40.800 0.074 0.000 0.973 33 D HN -0.004 nan 8.370 nan 0.000 0.501 34 R N 0.959 121.514 120.500 0.093 0.000 2.075 34 R HA -0.096 4.245 4.340 0.002 0.000 0.232 34 R C 1.677 178.064 176.300 0.146 0.000 1.126 34 R CA 0.801 56.967 56.100 0.111 0.000 0.963 34 R CB -0.821 29.526 30.300 0.079 0.000 0.858 34 R HN 0.230 nan 8.270 nan 0.000 0.435 35 D N 0.207 120.684 120.400 0.129 0.000 2.133 35 D HA -0.124 4.517 4.640 0.002 0.000 0.195 35 D C 1.587 177.973 176.300 0.143 0.000 0.997 35 D CA 1.794 55.878 54.000 0.140 0.000 0.840 35 D CB 0.167 41.034 40.800 0.111 0.000 0.947 35 D HN 0.077 nan 8.370 nan 0.000 0.452 36 S N -0.583 115.195 115.700 0.130 0.000 2.348 36 S HA -0.008 4.463 4.470 0.002 0.000 0.219 36 S C 2.106 176.808 174.600 0.169 0.000 1.033 36 S CA 0.743 59.017 58.200 0.123 0.000 0.974 36 S CB -0.395 62.866 63.200 0.101 0.000 0.868 36 S HN 0.405 nan 8.310 nan 0.000 0.459 37 A N 2.055 125.009 122.820 0.224 0.000 2.032 37 A HA -0.144 4.177 4.320 0.002 0.000 0.221 37 A C 2.250 180.076 177.584 0.404 0.000 1.165 37 A CA 1.987 54.247 52.037 0.372 0.000 0.645 37 A CB -0.889 18.315 19.000 0.339 0.000 0.807 37 A HN 0.619 nan 8.150 nan 0.000 0.453 38 S N -1.091 114.789 115.700 0.300 0.000 2.522 38 S HA 0.139 4.610 4.470 0.002 0.000 0.227 38 S C 1.361 176.178 174.600 0.363 0.000 0.986 38 S CA 0.967 59.375 58.200 0.346 0.000 0.929 38 S CB -0.266 63.124 63.200 0.317 0.000 0.769 38 S HN 0.437 nan 8.310 nan 0.000 0.529 39 L N 1.501 122.862 121.223 0.229 0.000 2.693 39 L HA 0.291 4.632 4.340 0.002 0.000 0.235 39 L C 2.108 179.004 176.870 0.044 0.000 1.127 39 L CA 0.152 55.066 54.840 0.124 0.000 0.914 39 L CB 0.581 42.690 42.059 0.083 0.000 1.193 39 L HN 0.380 nan 8.230 nan 0.000 0.502 40 V N -1.996 117.935 119.914 0.028 0.000 3.041 40 V HA 0.022 4.143 4.120 0.002 0.000 0.260 40 V C 0.663 176.635 176.094 -0.205 0.000 1.105 40 V CA 0.612 62.803 62.300 -0.181 0.000 1.125 40 V CB -0.575 30.952 31.823 -0.494 0.000 0.730 40 V HN 0.580 nan 8.190 nan 0.000 0.479 41 C N -2.330 116.941 119.300 -0.047 0.000 2.986 41 C HA 0.369 4.830 4.460 0.002 0.000 0.326 41 C C 1.185 176.251 174.990 0.126 0.000 1.335 41 C CA -0.285 58.724 59.018 -0.014 0.000 1.223 41 C CB 0.794 28.480 27.740 -0.089 0.000 1.354 41 C HN 0.358 nan 8.230 nan 0.000 0.447 42 R N 0.242 120.804 120.500 0.104 0.000 2.081 42 R HA -0.042 4.299 4.340 0.002 0.000 0.235 42 R C 2.514 178.975 176.300 0.268 0.000 1.131 42 R CA 1.849 58.038 56.100 0.150 0.000 0.960 42 R CB -0.288 30.062 30.300 0.082 0.000 0.856 42 R HN 0.697 nan 8.270 nan 0.000 0.436 43 R N -0.090 120.568 120.500 0.262 0.000 2.075 43 R HA -0.157 4.184 4.340 0.002 0.000 0.232 43 R C 1.864 178.362 176.300 0.330 0.000 1.126 43 R CA 1.485 57.749 56.100 0.273 0.000 0.963 43 R CB -0.177 30.278 30.300 0.259 0.000 0.858 43 R HN 0.244 nan 8.270 nan 0.000 0.435 44 W N 0.115 121.479 121.300 0.106 0.000 2.342 44 W HA -0.204 4.457 4.660 0.002 0.000 0.297 44 W C 2.026 178.620 176.519 0.125 0.000 1.213 44 W CA 0.941 58.346 57.345 0.100 0.000 1.251 44 W CB -0.885 28.632 29.460 0.095 0.000 1.136 44 W HN 0.112 nan 8.180 nan 0.000 0.526 45 F N 1.483 121.586 119.950 0.254 0.000 2.102 45 F HA -0.191 4.337 4.527 0.002 0.000 0.298 45 F C 2.390 178.247 175.800 0.094 0.000 1.105 45 F CA 2.345 60.432 58.000 0.146 0.000 1.239 45 F CB -0.669 38.388 39.000 0.095 0.000 0.991 45 F HN -0.230 nan 8.300 nan 0.000 0.474 46 K N 0.529 120.981 120.400 0.087 0.000 2.063 46 K HA -0.163 4.158 4.320 0.002 0.000 0.208 46 K C 2.078 178.618 176.600 -0.099 0.000 1.048 46 K CA 2.126 58.379 56.287 -0.056 0.000 0.928 46 K CB -0.373 32.182 32.500 0.091 0.000 0.713 46 K HN 0.411 nan 8.250 nan 0.000 0.442 47 I N 0.773 121.318 120.570 -0.042 0.000 2.394 47 I HA -0.248 3.923 4.170 0.002 0.000 0.251 47 I C 2.043 178.114 176.117 -0.077 0.000 1.136 47 I CA 1.472 62.729 61.300 -0.072 0.000 1.425 47 I CB -0.308 37.618 38.000 -0.123 0.000 1.079 47 I HN 0.336 nan 8.210 nan 0.000 0.425 48 D N 0.195 120.553 120.400 -0.071 0.000 2.097 48 D HA -0.224 4.417 4.640 0.002 0.000 0.197 48 D C 2.293 178.596 176.300 0.005 0.000 0.984 48 D CA 1.518 55.507 54.000 -0.019 0.000 0.826 48 D CB -0.004 40.818 40.800 0.036 0.000 0.973 48 D HN 0.146 nan 8.370 nan 0.000 0.460 49 S N -0.336 115.256 115.700 -0.180 0.000 2.372 49 S HA -0.279 4.192 4.470 0.002 0.000 0.227 49 S C 1.779 176.388 174.600 0.016 0.000 1.044 49 S CA 1.764 59.847 58.200 -0.195 0.000 1.050 49 S CB -0.528 62.367 63.200 -0.509 0.000 0.901 49 S HN 0.412 nan 8.310 nan 0.000 0.447 50 E N -0.303 119.880 120.200 -0.028 0.000 2.481 50 E HA 0.038 4.389 4.350 0.002 0.000 0.195 50 E C 1.657 178.264 176.600 0.011 0.000 1.047 50 E CA 1.006 57.407 56.400 0.002 0.000 0.867 50 E CB 0.208 29.898 29.700 -0.017 0.000 0.858 50 E HN 0.863 nan 8.360 nan 0.000 0.513 51 T N -2.557 112.004 114.554 0.012 0.000 2.975 51 T HA 0.173 4.524 4.350 0.002 0.000 0.257 51 T C 0.844 175.530 174.700 -0.022 0.000 1.003 51 T CA -0.553 61.539 62.100 -0.012 0.000 0.932 51 T CB 0.197 69.045 68.868 -0.033 0.000 1.087 51 T HN -0.179 nan 8.240 nan 0.000 0.512 52 R N 2.064 122.564 120.500 0.001 0.000 2.538 52 R HA 0.150 4.491 4.340 0.002 0.000 0.282 52 R C 0.972 177.184 176.300 -0.146 0.000 1.009 52 R CA 0.600 56.625 56.100 -0.125 0.000 1.063 52 R CB 0.195 30.276 30.300 -0.365 0.000 0.945 52 R HN 0.423 nan 8.270 nan 0.000 0.414 53 E N 1.276 121.395 120.200 -0.136 0.000 2.206 53 E HA -0.010 4.341 4.350 0.002 0.000 0.195 53 E C -0.126 176.418 176.600 -0.094 0.000 0.935 53 E CA 0.206 56.550 56.400 -0.093 0.000 0.875 53 E CB 0.154 29.820 29.700 -0.057 0.000 0.841 53 E HN 0.492 nan 8.360 nan 0.000 0.477 54 H N 0.599 119.545 119.070 -0.206 0.000 2.538 54 H HA 0.459 5.016 4.556 0.002 0.000 0.353 54 H C -1.440 173.732 175.328 -0.260 0.000 1.109 54 H CA -0.530 55.402 56.048 -0.193 0.000 1.192 54 H CB 1.248 30.928 29.762 -0.137 0.000 1.555 54 H HN -0.185 nan 8.280 nan 0.000 0.518 55 V N 4.304 124.029 119.914 -0.315 0.000 2.709 55 V HA 0.334 4.455 4.120 0.002 0.000 0.308 55 V C -0.256 175.742 176.094 -0.160 0.000 1.062 55 V CA -0.659 61.534 62.300 -0.179 0.000 0.901 55 V CB 2.234 33.903 31.823 -0.257 0.000 1.003 55 V HN 0.894 nan 8.190 nan 0.000 0.425 56 T N 5.579 120.135 114.554 0.004 0.000 2.824 56 T HA 0.583 4.934 4.350 0.002 0.000 0.282 56 T C -0.426 174.246 174.700 -0.046 0.000 0.993 56 T CA -0.398 61.689 62.100 -0.022 0.000 0.967 56 T CB 1.219 70.115 68.868 0.047 0.000 0.960 56 T HN 0.487 nan 8.240 nan 0.000 0.441 57 M N 2.714 122.248 119.600 -0.110 0.000 2.061 57 M HA 0.413 4.894 4.480 0.002 0.000 0.346 57 M C 1.215 177.457 176.300 -0.097 0.000 1.112 57 M CA -0.810 54.438 55.300 -0.087 0.000 1.021 57 M CB 1.509 34.022 32.600 -0.145 0.000 1.530 57 M HN 0.799 nan 8.290 nan 0.000 0.437 58 A N 4.434 127.224 122.820 -0.051 0.000 2.067 58 A HA 0.139 4.460 4.320 0.002 0.000 0.219 58 A C 0.763 178.301 177.584 -0.076 0.000 1.158 58 A CA 0.973 52.956 52.037 -0.089 0.000 0.661 58 A CB 0.313 19.262 19.000 -0.086 0.000 0.801 58 A HN 0.730 nan 8.150 nan 0.000 0.452 59 L N 0.017 121.235 121.223 -0.008 0.000 2.476 59 L HA 0.198 4.540 4.340 0.002 0.000 0.269 59 L C 1.017 177.891 176.870 0.008 0.000 0.965 59 L CA -0.646 54.213 54.840 0.031 0.000 0.845 59 L CB 1.817 43.951 42.059 0.125 0.000 1.259 59 L HN 0.480 nan 8.230 nan 0.000 0.403 60 C N 1.824 121.069 119.300 -0.092 0.000 2.432 60 C HA -0.097 4.364 4.460 0.002 0.000 0.280 60 C C 1.786 176.800 174.990 0.039 0.000 1.353 60 C CA 0.219 59.151 59.018 -0.143 0.000 1.766 60 C CB -1.318 26.223 27.740 -0.331 0.000 1.924 60 C HN 0.780 nan 8.230 nan 0.000 0.509 61 Y N 1.024 121.414 120.300 0.149 0.000 2.553 61 Y HA 0.047 4.598 4.550 0.001 0.000 0.303 61 Y C 2.767 178.805 175.900 0.230 0.000 1.194 61 Y CA 0.901 59.094 58.100 0.154 0.000 1.305 61 Y CB -0.415 38.049 38.460 0.006 0.000 1.045 61 Y HN 0.334 nan 8.280 nan 0.000 0.514 62 T N -0.286 114.464 114.554 0.326 0.000 3.023 62 T HA 0.315 4.666 4.350 0.002 0.000 0.266 62 T C 0.433 175.325 174.700 0.320 0.000 1.093 62 T CA 0.778 63.084 62.100 0.344 0.000 1.129 62 T CB -0.148 68.886 68.868 0.276 0.000 0.899 62 T HN 0.290 nan 8.240 nan 0.000 0.491 63 A N -0.098 122.917 122.820 0.324 0.000 2.605 63 A HA 0.565 4.886 4.320 0.002 0.000 0.294 63 A C -0.211 177.531 177.584 0.262 0.000 1.062 63 A CA -0.884 51.321 52.037 0.279 0.000 0.682 63 A CB 0.617 19.768 19.000 0.251 0.000 1.278 63 A HN 0.170 nan 8.150 nan 0.000 0.410 64 T N 2.299 116.931 114.554 0.130 0.000 2.946 64 T HA 0.268 4.619 4.350 0.002 0.000 0.312 64 T C -1.872 172.727 174.700 -0.169 0.000 1.066 64 T CA 0.046 62.126 62.100 -0.034 0.000 1.138 64 T CB 0.165 69.024 68.868 -0.015 0.000 1.014 64 T HN 0.405 nan 8.240 nan 0.000 0.544 65 P HA -0.007 nan 4.420 nan 0.000 0.229 65 P C 1.030 178.210 177.300 -0.201 0.000 1.160 65 P CA 0.498 63.116 63.100 -0.803 0.000 0.777 65 P CB 0.131 30.996 31.700 -1.392 0.000 0.814 66 D N 0.066 120.370 120.400 -0.160 0.000 2.097 66 D HA -0.184 4.457 4.640 0.002 0.000 0.195 66 D C 2.135 178.441 176.300 0.009 0.000 0.989 66 D CA 1.051 55.019 54.000 -0.054 0.000 0.827 66 D CB -0.310 40.459 40.800 -0.050 0.000 0.966 66 D HN -0.112 nan 8.370 nan 0.000 0.456 67 R N -0.451 120.066 120.500 0.028 0.000 2.096 67 R HA -0.167 4.174 4.340 0.002 0.000 0.240 67 R C 2.383 178.731 176.300 0.082 0.000 1.139 67 R CA 1.489 57.625 56.100 0.060 0.000 0.952 67 R CB -0.535 29.818 30.300 0.088 0.000 0.854 67 R HN 0.326 nan 8.270 nan 0.000 0.436 68 L N 0.605 121.923 121.223 0.157 0.000 2.017 68 L HA -0.154 4.188 4.340 0.002 0.000 0.208 68 L C 2.335 179.313 176.870 0.179 0.000 1.073 68 L CA 2.475 57.452 54.840 0.229 0.000 0.745 68 L CB -0.603 41.694 42.059 0.397 0.000 0.894 68 L HN 0.346 nan 8.230 nan 0.000 0.432 69 S N -0.589 115.199 115.700 0.146 0.000 2.423 69 S HA -0.235 4.236 4.470 0.002 0.000 0.231 69 S C 2.210 176.848 174.600 0.063 0.000 1.014 69 S CA 0.960 59.227 58.200 0.112 0.000 0.965 69 S CB -0.675 62.575 63.200 0.082 0.000 0.785 69 S HN 0.644 nan 8.310 nan 0.000 0.495 70 R N 1.098 121.619 120.500 0.035 0.000 2.073 70 R HA 0.084 4.425 4.340 0.002 0.000 0.229 70 R C 2.528 178.799 176.300 -0.048 0.000 1.120 70 R CA 1.244 57.348 56.100 0.007 0.000 0.967 70 R CB -0.252 30.056 30.300 0.014 0.000 0.862 70 R HN 0.410 nan 8.270 nan 0.000 0.436 71 R N -0.428 119.996 120.500 -0.128 0.000 2.153 71 R HA 0.033 4.375 4.340 0.002 0.000 0.218 71 R C -0.166 175.761 176.300 -0.621 0.000 1.072 71 R CA 1.278 57.128 56.100 -0.416 0.000 0.990 71 R CB 0.194 30.139 30.300 -0.591 0.000 0.889 71 R HN 0.269 nan 8.270 nan 0.000 0.452 72 F N -0.445 119.507 119.950 0.004 0.000 2.593 72 F HA 0.367 4.895 4.527 0.002 0.000 0.336 72 F C -1.852 173.945 175.800 -0.006 0.000 1.491 72 F CA -2.142 55.848 58.000 -0.016 0.000 1.114 72 F CB 1.969 40.965 39.000 -0.005 0.000 1.468 72 F HN -0.037 nan 8.300 nan 0.000 0.579 73 P HA -0.142 nan 4.420 nan 0.000 0.220 73 P C -0.012 177.332 177.300 0.074 0.000 1.144 73 P CA 1.590 64.739 63.100 0.082 0.000 0.800 73 P CB 0.102 31.829 31.700 0.044 0.000 0.772 74 N N -1.287 117.460 118.700 0.079 0.000 2.328 74 N HA 0.166 4.907 4.740 0.002 0.000 0.247 74 N C -0.240 175.281 175.510 0.018 0.000 1.165 74 N CA -0.349 52.725 53.050 0.039 0.000 0.873 74 N CB 0.020 38.521 38.487 0.024 0.000 1.125 74 N HN 0.051 nan 8.380 nan 0.000 0.513 75 L N 1.084 122.323 121.223 0.026 0.000 2.543 75 L HA -0.027 4.314 4.340 0.002 0.000 0.285 75 L C 1.400 178.243 176.870 -0.045 0.000 1.236 75 L CA 0.515 55.334 54.840 -0.034 0.000 0.871 75 L CB 0.555 42.594 42.059 -0.033 0.000 1.121 75 L HN 0.321 nan 8.230 nan 0.000 0.501 76 R N 0.890 121.349 120.500 -0.069 0.000 2.287 76 R HA 0.183 4.524 4.340 0.002 0.000 0.197 76 R C 0.277 176.526 176.300 -0.085 0.000 0.900 76 R CA 0.187 56.251 56.100 -0.059 0.000 1.052 76 R CB 0.666 30.939 30.300 -0.045 0.000 1.117 76 R HN 0.558 nan 8.270 nan 0.000 0.568 77 S N 0.460 116.079 115.700 -0.135 0.000 2.548 77 S HA 0.662 5.133 4.470 0.002 0.000 0.286 77 S C -1.757 172.590 174.600 -0.422 0.000 1.098 77 S CA -0.623 57.449 58.200 -0.213 0.000 0.930 77 S CB 1.183 64.331 63.200 -0.087 0.000 1.070 77 S HN 0.057 nan 8.310 nan 0.000 0.480 78 L N 3.222 124.197 121.223 -0.413 0.000 2.434 78 L HA 0.737 5.078 4.340 0.002 0.000 0.260 78 L C -1.432 175.220 176.870 -0.362 0.000 0.983 78 L CA -0.267 54.322 54.840 -0.418 0.000 0.820 78 L CB 1.992 43.913 42.059 -0.230 0.000 1.361 78 L HN 0.750 nan 8.230 nan 0.000 0.410 79 K N 4.900 125.101 120.400 -0.332 0.000 2.601 79 K HA 0.648 4.969 4.320 0.002 0.000 0.249 79 K C -2.147 174.308 176.600 -0.241 0.000 0.966 79 K CA -0.493 55.647 56.287 -0.246 0.000 0.827 79 K CB 1.151 33.528 32.500 -0.205 0.000 1.178 79 K HN 0.712 nan 8.250 nan 0.000 0.437 80 L N 4.032 125.143 121.223 -0.186 0.000 2.346 80 L HA 0.553 4.894 4.340 0.002 0.000 0.276 80 L C -0.487 176.293 176.870 -0.151 0.000 1.006 80 L CA -1.013 53.685 54.840 -0.236 0.000 0.817 80 L CB 1.956 43.792 42.059 -0.372 0.000 1.272 80 L HN 0.487 nan 8.230 nan 0.000 0.421 81 K N 1.029 121.325 120.400 -0.174 0.000 2.207 81 K HA 0.617 4.938 4.320 0.002 0.000 0.255 81 K C 0.257 176.803 176.600 -0.090 0.000 0.941 81 K CA -0.541 55.673 56.287 -0.121 0.000 0.825 81 K CB 2.594 35.008 32.500 -0.142 0.000 1.119 81 K HN 0.744 nan 8.250 nan 0.000 0.430 82 G N 1.938 110.721 108.800 -0.028 0.000 2.508 82 G HA2 0.081 4.042 3.960 0.002 0.000 0.217 82 G HA3 0.081 4.042 3.960 0.002 0.000 0.217 82 G C -0.456 174.560 174.900 0.192 0.000 2.004 82 G CA -0.287 44.864 45.100 0.085 0.000 0.750 82 G HN 0.389 nan 8.290 nan 0.000 0.730 83 K N 1.840 122.321 120.400 0.134 0.000 2.485 83 K HA 0.194 4.515 4.320 0.002 0.000 0.277 83 K C -2.327 174.124 176.600 -0.249 0.000 0.990 83 K CA -0.966 55.214 56.287 -0.178 0.000 0.994 83 K CB 0.665 33.086 32.500 -0.132 0.000 0.906 83 K HN 0.112 nan 8.250 nan 0.000 0.488 84 P HA 0.045 nan 4.420 nan 0.000 0.271 84 P C 0.201 177.323 177.300 -0.296 0.000 1.233 84 P CA -0.201 62.753 63.100 -0.244 0.000 0.789 84 P CB 0.539 32.048 31.700 -0.317 0.000 0.951 85 R N 1.362 121.719 120.500 -0.238 0.000 2.170 85 R HA -0.195 4.146 4.340 0.002 0.000 0.242 85 R C 2.033 178.248 176.300 -0.142 0.000 1.145 85 R CA 1.786 57.785 56.100 -0.168 0.000 0.984 85 R CB -0.891 29.357 30.300 -0.087 0.000 0.869 85 R HN 0.537 nan 8.270 nan 0.000 0.455 86 A N 1.041 123.615 122.820 -0.409 0.000 1.978 86 A HA -0.182 4.139 4.320 0.002 0.000 0.220 86 A C 2.333 179.812 177.584 -0.175 0.000 1.170 86 A CA 1.689 53.471 52.037 -0.426 0.000 0.636 86 A CB -0.606 17.612 19.000 -1.302 0.000 0.810 86 A HN 0.426 nan 8.150 nan 0.000 0.448 87 A N -0.624 122.039 122.820 -0.260 0.000 2.032 87 A HA -0.177 4.144 4.320 0.002 0.000 0.221 87 A C 2.092 179.585 177.584 -0.153 0.000 1.165 87 A CA 1.823 53.753 52.037 -0.180 0.000 0.645 87 A CB -0.577 18.306 19.000 -0.194 0.000 0.807 87 A HN 0.561 nan 8.150 nan 0.000 0.453 88 M N -1.791 117.679 119.600 -0.217 0.000 2.686 88 M HA 0.056 4.537 4.480 0.002 0.000 0.246 88 M C -0.146 175.715 176.300 -0.732 0.000 1.096 88 M CA 0.794 55.818 55.300 -0.460 0.000 1.076 88 M CB 0.016 32.263 32.600 -0.588 0.000 1.504 88 M HN 0.450 nan 8.290 nan 0.000 0.524 89 F N -0.222 119.685 119.950 -0.072 0.000 2.814 89 F HA 0.307 4.836 4.527 0.002 0.000 0.326 89 F C 0.279 176.072 175.800 -0.011 0.000 1.159 89 F CA -0.813 57.168 58.000 -0.031 0.000 1.234 89 F CB -0.159 38.830 39.000 -0.018 0.000 1.016 89 F HN 0.082 nan 8.300 nan 0.000 0.510 90 N N 1.647 120.381 118.700 0.055 0.000 2.714 90 N HA -0.209 4.532 4.740 0.002 0.000 0.252 90 N C 0.469 176.022 175.510 0.072 0.000 1.014 90 N CA 0.653 53.728 53.050 0.042 0.000 0.735 90 N CB -1.211 37.306 38.487 0.049 0.000 0.924 90 N HN 0.466 nan 8.380 nan 0.000 0.540 91 L N -1.064 120.204 121.223 0.075 0.000 2.781 91 L HA 0.290 4.631 4.340 0.002 0.000 0.245 91 L C 0.528 177.501 176.870 0.172 0.000 1.118 91 L CA 0.231 55.154 54.840 0.138 0.000 0.918 91 L CB 0.367 42.530 42.059 0.174 0.000 1.246 91 L HN 0.110 nan 8.230 nan 0.000 0.526 92 I N 1.051 121.638 120.570 0.028 0.000 2.377 92 I HA 0.357 4.528 4.170 0.002 0.000 0.293 92 I C -2.168 173.968 176.117 0.031 0.000 0.987 92 I CA -2.487 58.823 61.300 0.016 0.000 1.185 92 I CB 1.468 39.357 38.000 -0.185 0.000 1.341 92 I HN -0.298 nan 8.210 nan 0.000 0.455 93 P HA -0.029 nan 4.420 nan 0.000 0.265 93 P C 0.698 178.070 177.300 0.119 0.000 1.187 93 P CA 0.253 63.412 63.100 0.099 0.000 0.766 93 P CB 0.885 32.681 31.700 0.159 0.000 0.820 94 E N 3.734 123.981 120.200 0.078 0.000 2.077 94 E HA -0.230 4.121 4.350 0.002 0.000 0.193 94 E C 1.142 177.805 176.600 0.105 0.000 0.989 94 E CA 1.845 58.287 56.400 0.070 0.000 0.800 94 E CB -0.729 28.994 29.700 0.038 0.000 0.746 94 E HN 0.427 nan 8.360 nan 0.000 0.452 95 N N -0.208 118.563 118.700 0.118 0.000 2.515 95 N HA -0.105 4.636 4.740 0.002 0.000 0.191 95 N C 1.235 176.815 175.510 0.117 0.000 1.182 95 N CA 0.556 53.682 53.050 0.126 0.000 0.879 95 N CB -1.094 37.467 38.487 0.122 0.000 0.984 95 N HN 0.381 nan 8.380 nan 0.000 0.453 96 W N 1.410 122.699 121.300 -0.018 0.000 2.335 96 W HA 0.079 4.739 4.660 0.001 0.000 0.311 96 W C 0.725 177.220 176.519 -0.041 0.000 1.213 96 W CA 2.262 59.602 57.345 -0.009 0.000 1.274 96 W CB -0.139 29.328 29.460 0.011 0.000 1.148 96 W HN 0.260 nan 8.180 nan 0.000 0.498 97 G N -3.309 105.356 108.800 -0.226 0.000 2.345 97 G HA2 0.388 4.349 3.960 0.002 0.000 0.285 97 G HA3 0.388 4.349 3.960 0.002 0.000 0.285 97 G C 0.223 174.983 174.900 -0.233 0.000 1.297 97 G CA -0.042 44.728 45.100 -0.549 0.000 0.875 97 G HN 1.021 nan 8.290 nan 0.000 0.506 98 G N -1.642 107.099 108.800 -0.098 0.000 2.130 98 G HA2 -0.085 3.876 3.960 0.002 0.000 0.216 98 G HA3 -0.085 3.876 3.960 0.002 0.000 0.216 98 G C 0.244 175.043 174.900 -0.169 0.000 0.999 98 G CA 0.397 45.443 45.100 -0.090 0.000 0.686 98 G HN 1.339 nan 8.290 nan 0.000 0.515 99 Y N -0.981 119.341 120.300 0.038 0.000 2.610 99 Y HA 0.288 4.839 4.550 0.001 0.000 0.332 99 Y C 1.574 177.472 175.900 -0.003 0.000 1.201 99 Y CA 0.593 58.699 58.100 0.010 0.000 1.465 99 Y CB 1.472 39.949 38.460 0.029 0.000 1.283 99 Y HN 0.019 nan 8.280 nan 0.000 0.563 100 V N 2.641 122.596 119.914 0.069 0.000 3.590 100 V HA -0.142 3.979 4.120 0.002 0.000 0.265 100 V C 1.848 177.986 176.094 0.073 0.000 1.239 100 V CA 1.517 63.776 62.300 -0.067 0.000 1.117 100 V CB -0.422 31.045 31.823 -0.593 0.000 0.818 100 V HN 1.107 nan 8.190 nan 0.000 0.451 101 T N -0.575 114.019 114.554 0.067 0.000 2.665 101 T HA -0.117 4.234 4.350 0.002 0.000 0.268 101 T C -0.045 174.661 174.700 0.010 0.000 1.035 101 T CA 1.779 63.898 62.100 0.032 0.000 1.151 101 T CB -1.906 66.963 68.868 0.002 0.000 0.862 101 T HN 0.452 nan 8.240 nan 0.000 0.438 102 P HA -0.015 nan 4.420 nan 0.000 0.219 102 P C 0.724 177.868 177.300 -0.260 0.000 1.146 102 P CA 0.974 63.952 63.100 -0.202 0.000 0.808 102 P CB -0.332 31.164 31.700 -0.340 0.000 0.779 103 W N -0.421 120.869 121.300 -0.018 0.000 2.494 103 W HA -0.026 4.635 4.660 0.001 0.000 0.286 103 W C 2.367 178.910 176.519 0.041 0.000 1.218 103 W CA 0.632 57.984 57.345 0.012 0.000 1.313 103 W CB -1.063 28.403 29.460 0.010 0.000 1.105 103 W HN -0.217 nan 8.180 nan 0.000 0.561 104 V N -0.338 119.721 119.914 0.242 0.000 2.453 104 V HA -0.202 3.919 4.120 0.002 0.000 0.247 104 V C 2.048 178.197 176.094 0.091 0.000 1.048 104 V CA 2.445 64.849 62.300 0.174 0.000 1.049 104 V CB -1.445 30.460 31.823 0.136 0.000 0.672 104 V HN 0.250 nan 8.190 nan 0.000 0.457 105 T N -2.233 112.346 114.554 0.042 0.000 3.051 105 T HA -0.113 4.238 4.350 0.002 0.000 0.269 105 T C 1.648 176.350 174.700 0.004 0.000 1.127 105 T CA 1.593 63.697 62.100 0.007 0.000 1.107 105 T CB -0.296 68.559 68.868 -0.022 0.000 0.898 105 T HN 0.616 nan 8.240 nan 0.000 0.517 106 E N 1.124 121.336 120.200 0.020 0.000 2.102 106 E HA 0.181 4.532 4.350 0.002 0.000 0.190 106 E C 1.934 178.575 176.600 0.069 0.000 0.971 106 E CA 0.521 56.935 56.400 0.023 0.000 0.821 106 E CB -0.476 29.224 29.700 -0.001 0.000 0.777 106 E HN 0.609 nan 8.360 nan 0.000 0.460 107 I N 0.243 120.881 120.570 0.113 0.000 2.208 107 I HA -0.273 3.898 4.170 0.002 0.000 0.245 107 I C 2.427 178.578 176.117 0.057 0.000 1.097 107 I CA 1.318 62.677 61.300 0.099 0.000 1.363 107 I CB -0.374 37.699 38.000 0.122 0.000 1.051 107 I HN 0.138 nan 8.210 nan 0.000 0.413 108 S N 0.636 116.364 115.700 0.046 0.000 2.400 108 S HA -0.196 4.275 4.470 0.002 0.000 0.232 108 S C 1.611 176.221 174.600 0.015 0.000 1.025 108 S CA 2.054 60.268 58.200 0.022 0.000 0.993 108 S CB -0.388 62.820 63.200 0.013 0.000 0.808 108 S HN 0.539 nan 8.310 nan 0.000 0.478 109 N N -0.631 118.080 118.700 0.018 0.000 2.407 109 N HA 0.198 4.939 4.740 0.002 0.000 0.182 109 N C 0.586 176.106 175.510 0.016 0.000 1.079 109 N CA 0.291 53.348 53.050 0.011 0.000 0.882 109 N CB 0.275 38.764 38.487 0.003 0.000 1.106 109 N HN 0.290 nan 8.380 nan 0.000 0.461 110 N N -0.007 118.709 118.700 0.027 0.000 2.075 110 N HA 0.181 4.922 4.740 0.002 0.000 0.226 110 N C -0.425 175.111 175.510 0.043 0.000 1.343 110 N CA 0.145 53.214 53.050 0.032 0.000 0.881 110 N CB 1.350 39.856 38.487 0.032 0.000 1.100 110 N HN 0.049 nan 8.380 nan 0.000 0.495 111 L N 1.425 122.678 121.223 0.049 0.000 2.956 111 L HA 0.368 4.709 4.340 0.002 0.000 0.232 111 L C 0.987 177.874 176.870 0.029 0.000 1.291 111 L CA -0.188 54.682 54.840 0.049 0.000 1.122 111 L CB 0.434 42.533 42.059 0.067 0.000 1.461 111 L HN -0.295 nan 8.230 nan 0.000 0.470 112 R N 0.059 120.573 120.500 0.022 0.000 2.369 112 R HA -0.120 4.221 4.340 0.002 0.000 0.200 112 R C 1.598 177.901 176.300 0.006 0.000 1.046 112 R CA 0.648 56.755 56.100 0.013 0.000 1.057 112 R CB -0.186 30.120 30.300 0.011 0.000 0.888 112 R HN 0.400 nan 8.270 nan 0.000 0.474 113 Q N -1.080 118.723 119.800 0.005 0.000 2.185 113 Q HA 0.202 4.543 4.340 0.002 0.000 0.234 113 Q C -0.654 175.338 176.000 -0.014 0.000 0.819 113 Q CA -0.199 55.601 55.803 -0.004 0.000 0.961 113 Q CB 0.557 29.294 28.738 -0.002 0.000 1.140 113 Q HN 0.112 nan 8.270 nan 0.000 0.492 114 L N 1.946 123.161 121.223 -0.014 0.000 2.499 114 L HA 0.045 4.386 4.340 0.002 0.000 0.273 114 L C 0.726 177.573 176.870 -0.038 0.000 1.195 114 L CA 1.079 55.900 54.840 -0.031 0.000 0.882 114 L CB 0.653 42.697 42.059 -0.025 0.000 1.133 114 L HN 0.232 nan 8.230 nan 0.000 0.483 115 K N 1.139 121.508 120.400 -0.051 0.000 2.450 115 K HA 0.252 4.573 4.320 0.002 0.000 0.206 115 K C 0.135 176.695 176.600 -0.065 0.000 1.148 115 K CA -0.114 56.144 56.287 -0.048 0.000 1.014 115 K CB 0.566 33.043 32.500 -0.037 0.000 0.966 115 K HN 0.421 nan 8.250 nan 0.000 0.566 116 S N 0.810 116.458 115.700 -0.087 0.000 2.571 116 S HA 0.536 5.007 4.470 0.002 0.000 0.284 116 S C -1.402 173.097 174.600 -0.168 0.000 1.128 116 S CA -0.523 57.611 58.200 -0.109 0.000 0.970 116 S CB 1.881 65.037 63.200 -0.074 0.000 1.039 116 S HN 0.051 nan 8.310 nan 0.000 0.485 117 V N 5.035 124.810 119.914 -0.232 0.000 2.638 117 V HA 0.506 4.627 4.120 0.002 0.000 0.306 117 V C -0.785 175.034 176.094 -0.458 0.000 1.052 117 V CA -0.692 61.373 62.300 -0.391 0.000 0.885 117 V CB 1.706 33.212 31.823 -0.528 0.000 0.999 117 V HN 1.014 nan 8.190 nan 0.000 0.424 118 H N 4.597 123.333 119.070 -0.557 0.000 2.860 118 H HA 0.608 5.165 4.556 0.002 0.000 0.312 118 H C -1.680 173.447 175.328 -0.334 0.000 0.995 118 H CA -0.691 55.127 56.048 -0.383 0.000 1.311 118 H CB 0.828 30.479 29.762 -0.185 0.000 1.478 118 H HN 0.488 nan 8.280 nan 0.000 0.508 119 F N 3.577 123.645 119.950 0.197 0.000 2.420 119 F HA 0.425 4.953 4.527 0.002 0.000 0.342 119 F C 0.271 176.166 175.800 0.159 0.000 1.113 119 F CA -0.823 57.222 58.000 0.075 0.000 1.059 119 F CB 1.497 40.498 39.000 0.001 0.000 1.128 119 F HN 0.449 nan 8.300 nan 0.000 0.475 120 R N 2.852 123.484 120.500 0.220 0.000 2.451 120 R HA 0.484 4.825 4.340 0.002 0.000 0.307 120 R C -0.377 175.949 176.300 0.044 0.000 0.965 120 R CA -0.693 55.476 56.100 0.114 0.000 0.865 120 R CB 0.711 30.994 30.300 -0.027 0.000 1.174 120 R HN 0.730 nan 8.270 nan 0.000 0.455 121 R N 3.549 124.078 120.500 0.049 0.000 3.127 121 R HA -0.213 4.128 4.340 0.002 0.000 0.247 121 R C -0.557 175.759 176.300 0.027 0.000 0.896 121 R CA 0.937 57.047 56.100 0.016 0.000 0.624 121 R CB -1.192 29.086 30.300 -0.036 0.000 1.154 121 R HN 0.583 nan 8.270 nan 0.000 0.474 122 M N 0.691 120.315 119.600 0.039 0.000 2.775 122 M HA 0.539 5.020 4.480 0.002 0.000 0.296 122 M C 0.006 176.307 176.300 0.002 0.000 1.248 122 M CA -1.157 54.137 55.300 -0.009 0.000 0.800 122 M CB 1.761 34.306 32.600 -0.092 0.000 1.765 122 M HN 0.002 nan 8.290 nan 0.000 0.472 123 I N 2.565 123.109 120.570 -0.043 0.000 2.330 123 I HA 0.338 4.509 4.170 0.002 0.000 0.286 123 I C -0.746 175.412 176.117 0.068 0.000 1.025 123 I CA -0.563 60.759 61.300 0.036 0.000 1.197 123 I CB 0.537 38.551 38.000 0.024 0.000 1.358 123 I HN 0.227 nan 8.210 nan 0.000 0.467 124 V N 5.715 125.706 119.914 0.129 0.000 2.357 124 V HA 0.312 4.433 4.120 0.002 0.000 0.284 124 V C 0.636 176.863 176.094 0.221 0.000 1.018 124 V CA -0.418 61.943 62.300 0.101 0.000 0.841 124 V CB 1.600 33.450 31.823 0.046 0.000 0.991 124 V HN 0.896 nan 8.190 nan 0.000 0.437 125 S N 2.174 117.957 115.700 0.139 0.000 2.672 125 S HA 0.322 4.793 4.470 0.002 0.000 0.276 125 S C 0.699 175.375 174.600 0.127 0.000 1.207 125 S CA -0.565 57.722 58.200 0.145 0.000 1.002 125 S CB 1.541 64.795 63.200 0.090 0.000 0.998 125 S HN 0.603 nan 8.310 nan 0.000 0.542 126 D N 0.351 120.829 120.400 0.130 0.000 2.116 126 D HA -0.110 4.531 4.640 0.002 0.000 0.193 126 D C 1.737 178.068 176.300 0.051 0.000 0.998 126 D CA 1.269 55.326 54.000 0.096 0.000 0.836 126 D CB -0.419 40.433 40.800 0.086 0.000 0.951 126 D HN 0.505 nan 8.370 nan 0.000 0.449 127 L N 1.209 122.456 121.223 0.041 0.000 2.017 127 L HA -0.198 4.143 4.340 0.002 0.000 0.208 127 L C 1.413 178.290 176.870 0.013 0.000 1.073 127 L CA 2.106 56.958 54.840 0.020 0.000 0.745 127 L CB -0.646 41.420 42.059 0.011 0.000 0.894 127 L HN 0.000 nan 8.230 nan 0.000 0.432 128 D N -0.649 119.762 120.400 0.018 0.000 2.269 128 D HA -0.197 4.444 4.640 0.002 0.000 0.208 128 D C 2.050 178.362 176.300 0.019 0.000 0.963 128 D CA 1.466 55.475 54.000 0.015 0.000 0.864 128 D CB -0.697 40.112 40.800 0.014 0.000 0.936 128 D HN 0.584 nan 8.370 nan 0.000 0.505 129 L N -1.530 119.699 121.223 0.009 0.000 2.375 129 L HA 0.238 4.579 4.340 0.002 0.000 0.215 129 L C 1.631 178.491 176.870 -0.017 0.000 1.108 129 L CA 1.130 55.967 54.840 -0.004 0.000 0.830 129 L CB -0.378 41.649 42.059 -0.052 0.000 0.959 129 L HN -0.181 nan 8.230 nan 0.000 0.457 130 D N 0.763 121.155 120.400 -0.013 0.000 2.117 130 D HA -0.199 4.442 4.640 0.002 0.000 0.198 130 D C 2.321 178.578 176.300 -0.073 0.000 0.982 130 D CA 1.296 55.275 54.000 -0.034 0.000 0.828 130 D CB 0.104 40.898 40.800 -0.010 0.000 0.967 130 D HN 0.201 nan 8.370 nan 0.000 0.464 131 R N 0.003 120.479 120.500 -0.040 0.000 2.091 131 R HA -0.118 4.223 4.340 0.002 0.000 0.238 131 R C 2.446 178.725 176.300 -0.035 0.000 1.136 131 R CA 0.756 56.833 56.100 -0.039 0.000 0.959 131 R CB -0.598 29.695 30.300 -0.012 0.000 0.856 131 R HN 0.364 nan 8.270 nan 0.000 0.437 132 L N 0.261 121.478 121.223 -0.009 0.000 1.961 132 L HA -0.199 4.142 4.340 0.002 0.000 0.210 132 L C 2.500 179.350 176.870 -0.033 0.000 1.072 132 L CA 1.570 56.415 54.840 0.007 0.000 0.749 132 L CB -0.708 41.378 42.059 0.045 0.000 0.889 132 L HN 0.212 nan 8.230 nan 0.000 0.432 133 A N 0.379 123.170 122.820 -0.050 0.000 1.873 133 A HA -0.354 3.967 4.320 0.002 0.000 0.219 133 A C 2.194 179.688 177.584 -0.151 0.000 1.269 133 A CA 2.728 54.724 52.037 -0.068 0.000 0.671 133 A CB -0.841 18.135 19.000 -0.041 0.000 0.842 133 A HN 0.482 nan 8.150 nan 0.000 0.460 134 K N -0.736 119.484 120.400 -0.301 0.000 2.074 134 K HA -0.117 4.204 4.320 0.002 0.000 0.209 134 K C 2.226 178.750 176.600 -0.127 0.000 1.048 134 K CA 1.327 57.423 56.287 -0.318 0.000 0.926 134 K CB -0.358 31.950 32.500 -0.320 0.000 0.713 134 K HN 0.511 nan 8.250 nan 0.000 0.444 135 A N 0.692 123.463 122.820 -0.082 0.000 2.014 135 A HA -0.063 4.258 4.320 0.002 0.000 0.218 135 A C 2.021 179.592 177.584 -0.022 0.000 1.163 135 A CA 1.246 53.260 52.037 -0.038 0.000 0.652 135 A CB -0.057 18.931 19.000 -0.020 0.000 0.808 135 A HN 0.081 nan 8.150 nan 0.000 0.449 136 R N -2.350 118.137 120.500 -0.022 0.000 2.225 136 R HA 0.486 4.827 4.340 0.002 0.000 0.194 136 R C 1.205 177.503 176.300 -0.004 0.000 0.949 136 R CA 1.076 57.170 56.100 -0.011 0.000 1.088 136 R CB -0.319 29.974 30.300 -0.012 0.000 1.106 136 R HN 0.635 nan 8.270 nan 0.000 0.566 137 A N 0.788 123.609 122.820 0.001 0.000 5.578 137 A HA -0.379 3.942 4.320 0.002 0.000 0.312 137 A C 1.067 178.665 177.584 0.024 0.000 1.861 137 A CA 1.700 53.755 52.037 0.030 0.000 0.719 137 A CB -1.752 17.271 19.000 0.039 0.000 1.323 137 A HN 0.397 nan 8.150 nan 0.000 0.387 138 D N -0.269 120.146 120.400 0.024 0.000 2.228 138 D HA -0.059 4.582 4.640 0.002 0.000 0.203 138 D C 1.252 177.555 176.300 0.004 0.000 0.988 138 D CA 1.573 55.582 54.000 0.015 0.000 0.864 138 D CB -0.431 40.376 40.800 0.013 0.000 0.928 138 D HN 0.503 nan 8.370 nan 0.000 0.469 139 D N -0.369 120.031 120.400 -0.000 0.000 2.310 139 D HA -0.066 4.575 4.640 0.002 0.000 0.212 139 D C 0.550 176.840 176.300 -0.016 0.000 0.965 139 D CA 0.105 54.100 54.000 -0.008 0.000 0.879 139 D CB -0.064 40.731 40.800 -0.009 0.000 0.921 139 D HN 0.160 nan 8.370 nan 0.000 0.510 140 L N 1.410 122.623 121.223 -0.016 0.000 2.385 140 L HA 0.081 4.422 4.340 0.002 0.000 0.285 140 L C 1.088 177.940 176.870 -0.029 0.000 1.125 140 L CA 0.277 55.099 54.840 -0.030 0.000 0.890 140 L CB 0.337 42.377 42.059 -0.031 0.000 1.251 140 L HN -0.135 nan 8.230 nan 0.000 0.445 141 E N 1.292 121.471 120.200 -0.035 0.000 2.122 141 E HA -0.000 4.351 4.350 0.002 0.000 0.190 141 E C 0.214 176.790 176.600 -0.041 0.000 0.977 141 E CA 0.742 57.123 56.400 -0.030 0.000 0.820 141 E CB 0.380 30.062 29.700 -0.029 0.000 0.770 141 E HN 0.622 nan 8.360 nan 0.000 0.462 142 T N -0.022 114.495 114.554 -0.061 0.000 2.916 142 T HA 0.482 4.833 4.350 0.002 0.000 0.298 142 T C -1.816 172.810 174.700 -0.122 0.000 1.031 142 T CA -0.882 61.169 62.100 -0.080 0.000 0.993 142 T CB 1.376 70.199 68.868 -0.075 0.000 1.045 142 T HN -0.032 nan 8.240 nan 0.000 0.454 143 L N 3.901 125.042 121.223 -0.137 0.000 2.406 143 L HA 0.676 5.017 4.340 0.002 0.000 0.272 143 L C -1.107 175.636 176.870 -0.213 0.000 0.980 143 L CA -0.343 54.382 54.840 -0.192 0.000 0.831 143 L CB 1.592 43.556 42.059 -0.159 0.000 1.253 143 L HN 0.718 nan 8.230 nan 0.000 0.406 144 K N 6.682 126.903 120.400 -0.299 0.000 2.449 144 K HA 0.492 4.813 4.320 0.002 0.000 0.257 144 K C -1.123 175.332 176.600 -0.242 0.000 0.989 144 K CA -0.430 55.649 56.287 -0.347 0.000 0.916 144 K CB 1.367 33.451 32.500 -0.693 0.000 1.136 144 K HN 0.580 nan 8.250 nan 0.000 0.439 145 L N 3.233 124.382 121.223 -0.123 0.000 2.352 145 L HA 0.173 4.514 4.340 0.002 0.000 0.272 145 L C -0.198 176.716 176.870 0.074 0.000 1.109 145 L CA -0.543 54.305 54.840 0.013 0.000 0.952 145 L CB 0.179 42.198 42.059 -0.067 0.000 1.314 145 L HN 0.492 nan 8.230 nan 0.000 0.427 146 D N 4.653 125.114 120.400 0.101 0.000 2.380 146 D HA 0.129 4.770 4.640 0.002 0.000 0.230 146 D C 0.297 176.670 176.300 0.122 0.000 1.154 146 D CA -0.241 53.823 54.000 0.107 0.000 0.859 146 D CB 0.541 41.465 40.800 0.208 0.000 1.045 146 D HN 0.303 nan 8.370 nan 0.000 0.495 147 K N 1.479 121.940 120.400 0.101 0.000 3.071 147 K HA -0.176 4.145 4.320 0.002 0.000 0.265 147 K C -0.284 176.370 176.600 0.090 0.000 1.060 147 K CA 0.314 56.641 56.287 0.066 0.000 0.767 147 K CB -2.179 30.328 32.500 0.012 0.000 1.241 147 K HN 0.398 nan 8.250 nan 0.000 0.486 148 C N 0.182 119.585 119.300 0.172 0.000 2.328 148 C HA 0.715 5.176 4.460 0.002 0.000 0.378 148 C C 1.059 176.167 174.990 0.197 0.000 1.249 148 C CA -0.114 59.026 59.018 0.204 0.000 2.204 148 C CB 1.505 29.415 27.740 0.284 0.000 2.218 148 C HN 0.641 nan 8.230 nan 0.000 0.564 149 S N -1.159 114.637 115.700 0.159 0.000 2.651 149 S HA 0.773 5.244 4.470 0.002 0.000 0.279 149 S C 0.006 174.656 174.600 0.084 0.000 1.148 149 S CA 0.303 58.519 58.200 0.027 0.000 0.837 149 S CB 1.287 64.481 63.200 -0.011 0.000 1.138 149 S HN 2.377 nan 8.310 nan 0.000 0.478 150 G N -0.026 108.750 108.800 -0.040 0.000 2.159 150 G HA2 -0.100 3.861 3.960 0.002 0.000 0.227 150 G HA3 -0.100 3.861 3.960 0.002 0.000 0.227 150 G C -0.261 174.706 174.900 0.112 0.000 0.986 150 G CA 0.239 45.370 45.100 0.052 0.000 0.651 150 G HN 1.607 nan 8.290 nan 0.000 0.523 151 F N 0.204 120.194 119.950 0.068 0.000 2.671 151 F HA 0.952 5.480 4.527 0.002 0.000 0.373 151 F C 0.248 176.093 175.800 0.075 0.000 1.122 151 F CA -0.479 57.549 58.000 0.047 0.000 1.082 151 F CB 1.215 40.219 39.000 0.007 0.000 1.399 151 F HN 0.554 nan 8.300 nan 0.000 0.509 152 T N -4.107 110.610 114.554 0.273 0.000 2.816 152 T HA 0.287 4.638 4.350 0.002 0.000 0.299 152 T C 0.704 175.490 174.700 0.143 0.000 1.230 152 T CA -0.052 62.142 62.100 0.157 0.000 1.007 152 T CB 0.801 69.731 68.868 0.104 0.000 1.289 152 T HN 1.121 nan 8.240 nan 0.000 0.508 153 T N -1.138 113.468 114.554 0.087 0.000 2.848 153 T HA -0.175 4.176 4.350 0.002 0.000 0.269 153 T C 1.141 175.885 174.700 0.074 0.000 1.081 153 T CA 1.952 64.073 62.100 0.036 0.000 1.125 153 T CB -0.883 68.115 68.868 0.216 0.000 0.848 153 T HN 0.630 nan 8.240 nan 0.000 0.503 154 D N 1.695 122.151 120.400 0.094 0.000 2.097 154 D HA 0.025 4.666 4.640 0.002 0.000 0.195 154 D C 2.491 178.832 176.300 0.067 0.000 0.989 154 D CA 1.470 55.523 54.000 0.088 0.000 0.827 154 D CB -1.078 39.770 40.800 0.080 0.000 0.966 154 D HN 0.572 nan 8.370 nan 0.000 0.456 155 G N 1.066 109.902 108.800 0.060 0.000 2.446 155 G HA2 -0.223 3.738 3.960 0.002 0.000 0.217 155 G HA3 -0.223 3.738 3.960 0.002 0.000 0.217 155 G C 1.817 176.688 174.900 -0.048 0.000 1.168 155 G CA 0.579 45.689 45.100 0.017 0.000 0.771 155 G HN 0.246 nan 8.290 nan 0.000 0.551 156 L N -0.250 120.901 121.223 -0.120 0.000 1.990 156 L HA -0.106 4.235 4.340 0.002 0.000 0.213 156 L C 2.715 179.590 176.870 0.008 0.000 1.072 156 L CA 0.926 55.646 54.840 -0.199 0.000 0.755 156 L CB -0.680 41.043 42.059 -0.560 0.000 0.889 156 L HN 0.239 nan 8.230 nan 0.000 0.432 157 L N -0.535 120.748 121.223 0.101 0.000 2.189 157 L HA -0.221 4.120 4.340 0.002 0.000 0.214 157 L C 2.629 179.565 176.870 0.110 0.000 1.097 157 L CA 1.949 56.888 54.840 0.165 0.000 0.764 157 L CB -0.651 41.504 42.059 0.160 0.000 0.900 157 L HN 0.195 nan 8.230 nan 0.000 0.436 158 S N -0.854 114.906 115.700 0.099 0.000 2.395 158 S HA -0.085 4.386 4.470 0.002 0.000 0.225 158 S C 1.993 176.710 174.600 0.194 0.000 1.027 158 S CA 1.045 59.342 58.200 0.161 0.000 0.965 158 S CB -0.435 62.843 63.200 0.130 0.000 0.812 158 S HN 0.633 nan 8.310 nan 0.000 0.482 159 I N 0.547 121.170 120.570 0.088 0.000 2.716 159 I HA 0.100 4.271 4.170 0.002 0.000 0.259 159 I C 1.877 178.038 176.117 0.073 0.000 1.172 159 I CA 0.885 62.226 61.300 0.070 0.000 1.478 159 I CB -0.288 37.707 38.000 -0.008 0.000 1.104 159 I HN 0.190 nan 8.210 nan 0.000 0.439 160 V N -0.511 119.450 119.914 0.079 0.000 3.041 160 V HA -0.049 4.072 4.120 0.002 0.000 0.260 160 V C 2.310 178.426 176.094 0.035 0.000 1.105 160 V CA 1.653 64.002 62.300 0.082 0.000 1.125 160 V CB -1.883 30.028 31.823 0.147 0.000 0.730 160 V HN 0.684 nan 8.190 nan 0.000 0.479 161 T N -2.980 111.572 114.554 -0.004 0.000 3.040 161 T HA 0.067 4.418 4.350 0.002 0.000 0.252 161 T C 1.618 176.200 174.700 -0.197 0.000 1.064 161 T CA 1.168 63.187 62.100 -0.135 0.000 1.110 161 T CB -0.459 68.283 68.868 -0.210 0.000 0.921 161 T HN 0.577 nan 8.240 nan 0.000 0.480 162 H N -0.329 118.730 119.070 -0.018 0.000 2.582 162 H HA 0.395 4.952 4.556 0.001 0.000 0.269 162 H C 0.305 175.623 175.328 -0.017 0.000 0.962 162 H CA 0.156 56.192 56.048 -0.019 0.000 1.230 162 H CB 0.365 30.120 29.762 -0.013 0.000 1.445 162 H HN 0.366 nan 8.280 nan 0.000 0.528 163 C N 2.207 121.565 119.300 0.096 0.000 2.248 163 C HA 0.292 4.753 4.460 0.002 0.000 0.320 163 C C 1.242 176.250 174.990 0.029 0.000 1.065 163 C CA -0.749 58.299 59.018 0.050 0.000 1.558 163 C CB -0.381 27.379 27.740 0.034 0.000 1.787 163 C HN 0.569 nan 8.230 nan 0.000 0.426 164 R N 0.803 121.314 120.500 0.019 0.000 2.275 164 R HA 0.019 4.360 4.340 0.002 0.000 0.199 164 R C 1.000 177.313 176.300 0.023 0.000 0.989 164 R CA 0.640 56.750 56.100 0.016 0.000 1.016 164 R CB 0.176 30.477 30.300 0.002 0.000 0.918 164 R HN 0.589 nan 8.270 nan 0.000 0.473 165 K N 0.875 121.285 120.400 0.017 0.000 2.514 165 K HA 0.282 4.603 4.320 0.002 0.000 0.207 165 K C -0.027 176.577 176.600 0.007 0.000 1.035 165 K CA -0.229 56.065 56.287 0.012 0.000 1.113 165 K CB 0.639 33.143 32.500 0.006 0.000 0.846 165 K HN 0.039 nan 8.250 nan 0.000 0.491 166 I N 2.143 122.719 120.570 0.010 0.000 2.821 166 I HA -0.185 3.986 4.170 0.002 0.000 0.294 166 I C 1.169 177.289 176.117 0.005 0.000 1.210 166 I CA 0.915 62.217 61.300 0.004 0.000 1.430 166 I CB 0.580 38.588 38.000 0.013 0.000 1.356 166 I HN 0.227 nan 8.210 nan 0.000 0.563 167 K N 3.052 123.448 120.400 -0.006 0.000 2.141 167 K HA 0.019 4.340 4.320 0.002 0.000 0.202 167 K C 0.708 177.303 176.600 -0.008 0.000 1.045 167 K CA 0.689 56.972 56.287 -0.006 0.000 0.971 167 K CB 0.238 32.730 32.500 -0.013 0.000 0.795 167 K HN 0.682 nan 8.250 nan 0.000 0.459 168 T N 0.475 115.016 114.554 -0.021 0.000 2.841 168 T HA 0.514 4.865 4.350 0.002 0.000 0.285 168 T C -1.635 173.042 174.700 -0.038 0.000 0.991 168 T CA -0.839 61.245 62.100 -0.028 0.000 0.966 168 T CB 1.104 69.947 68.868 -0.043 0.000 0.962 168 T HN -0.033 nan 8.240 nan 0.000 0.438 169 L N 5.427 126.640 121.223 -0.016 0.000 2.406 169 L HA 0.824 5.166 4.340 0.002 0.000 0.272 169 L C -1.876 174.995 176.870 0.003 0.000 0.980 169 L CA -0.710 54.123 54.840 -0.013 0.000 0.831 169 L CB 1.661 43.745 42.059 0.040 0.000 1.253 169 L HN 0.844 nan 8.230 nan 0.000 0.406 170 L N 5.567 126.764 121.223 -0.043 0.000 2.410 170 L HA 0.577 4.918 4.340 0.002 0.000 0.270 170 L C -0.558 176.310 176.870 -0.002 0.000 0.983 170 L CA -0.241 54.586 54.840 -0.021 0.000 0.822 170 L CB 1.997 44.000 42.059 -0.093 0.000 1.285 170 L HN 0.874 nan 8.230 nan 0.000 0.409 171 M N 3.165 122.826 119.600 0.103 0.000 2.511 171 M HA 0.218 4.700 4.480 0.002 0.000 0.387 171 M C -0.041 176.393 176.300 0.224 0.000 1.112 171 M CA -0.199 55.194 55.300 0.155 0.000 0.921 171 M CB 0.838 33.547 32.600 0.182 0.000 1.501 171 M HN 0.527 nan 8.290 nan 0.000 0.538 172 E N 2.648 122.950 120.200 0.171 0.000 2.558 172 E HA -0.164 4.187 4.350 0.002 0.000 0.255 172 E C 0.304 176.977 176.600 0.121 0.000 0.968 172 E CA 0.834 57.334 56.400 0.167 0.000 0.939 172 E CB 0.323 30.107 29.700 0.141 0.000 0.921 172 E HN 0.423 nan 8.360 nan 0.000 0.477 173 E N 1.734 121.986 120.200 0.088 0.000 3.496 173 E HA -0.224 4.127 4.350 0.002 0.000 0.300 173 E C -0.900 175.728 176.600 0.045 0.000 0.877 173 E CA 0.647 57.056 56.400 0.014 0.000 1.050 173 E CB -0.896 28.790 29.700 -0.024 0.000 1.532 173 E HN 0.482 nan 8.360 nan 0.000 0.447 174 S N 0.029 115.821 115.700 0.153 0.000 2.592 174 S HA 0.359 4.830 4.470 0.002 0.000 0.271 174 S C -0.201 174.450 174.600 0.085 0.000 1.326 174 S CA 0.022 58.346 58.200 0.208 0.000 1.024 174 S CB 1.471 64.935 63.200 0.439 0.000 0.921 174 S HN 0.388 nan 8.310 nan 0.000 0.527 175 S N 2.452 118.110 115.700 -0.070 0.000 2.519 175 S HA 0.840 5.311 4.470 0.002 0.000 0.309 175 S C -0.675 173.643 174.600 -0.470 0.000 1.100 175 S CA -0.814 57.167 58.200 -0.364 0.000 1.059 175 S CB 0.363 63.392 63.200 -0.284 0.000 1.008 175 S HN 0.616 nan 8.310 nan 0.000 0.478 176 F N -0.885 118.723 119.950 -0.569 0.000 2.789 176 F HA 0.815 5.342 4.527 0.001 0.000 0.319 176 F C -0.570 174.982 175.800 -0.413 0.000 1.168 176 F CA -1.274 56.302 58.000 -0.706 0.000 0.934 176 F CB 0.927 39.265 39.000 -1.103 0.000 1.375 176 F HN 0.401 nan 8.300 nan 0.000 0.480 177 S N 0.406 116.071 115.700 -0.058 0.000 2.429 177 S HA 0.241 4.712 4.470 0.002 0.000 0.302 177 S C -0.782 173.881 174.600 0.104 0.000 1.115 177 S CA -0.557 57.612 58.200 -0.052 0.000 1.095 177 S CB 0.651 63.830 63.200 -0.035 0.000 0.987 177 S HN 0.577 nan 8.310 nan 0.000 0.474 178 E N 3.045 123.273 120.200 0.046 0.000 2.089 178 E HA 0.171 4.522 4.350 0.002 0.000 0.284 178 E C 0.194 176.863 176.600 0.116 0.000 1.023 178 E CA -0.113 56.379 56.400 0.154 0.000 0.819 178 E CB 0.426 30.200 29.700 0.122 0.000 1.076 178 E HN 0.523 nan 8.360 nan 0.000 0.396 179 K N 2.698 123.185 120.400 0.144 0.000 2.354 179 K HA 0.069 4.390 4.320 0.002 0.000 0.194 179 K C -0.394 176.276 176.600 0.118 0.000 1.045 179 K CA 0.461 56.812 56.287 0.106 0.000 1.026 179 K CB 0.370 32.925 32.500 0.092 0.000 0.866 179 K HN 0.551 nan 8.250 nan 0.000 0.530 180 D N -2.986 117.518 120.400 0.175 0.000 2.893 180 D HA 0.090 4.731 4.640 0.002 0.000 0.346 180 D C -0.034 176.399 176.300 0.221 0.000 1.402 180 D CA -0.705 53.389 54.000 0.156 0.000 0.815 180 D CB 0.113 40.981 40.800 0.113 0.000 1.403 180 D HN -0.134 nan 8.370 nan 0.000 0.484 181 G N -1.329 107.539 108.800 0.113 0.000 3.596 181 G HA2 0.089 4.050 3.960 0.002 0.000 0.274 181 G HA3 0.089 4.050 3.960 0.002 0.000 0.274 181 G C 0.603 175.428 174.900 -0.125 0.000 1.007 181 G CA -0.205 44.887 45.100 -0.014 0.000 0.825 181 G HN 0.463 nan 8.290 nan 0.000 0.508 182 K N 0.690 121.100 120.400 0.017 0.000 2.442 182 K HA -0.076 4.245 4.320 0.002 0.000 0.198 182 K C 2.034 178.665 176.600 0.050 0.000 1.044 182 K CA 0.706 57.000 56.287 0.011 0.000 0.948 182 K CB -0.238 32.274 32.500 0.020 0.000 0.762 182 K HN 0.613 nan 8.250 nan 0.000 0.472 183 W N 1.255 122.562 121.300 0.012 0.000 2.418 183 W HA -0.038 4.622 4.660 -0.001 0.000 0.292 183 W C 1.355 177.857 176.519 -0.028 0.000 1.213 183 W CA 0.100 57.437 57.345 -0.014 0.000 1.283 183 W CB -0.792 28.643 29.460 -0.042 0.000 1.119 183 W HN -0.017 nan 8.180 nan 0.000 0.542 184 L N 0.556 121.076 121.223 -1.171 0.000 2.072 184 L HA -0.193 4.148 4.340 0.002 0.000 0.205 184 L C 2.897 179.525 176.870 -0.403 0.000 1.079 184 L CA 2.191 56.391 54.840 -1.066 0.000 0.752 184 L CB -0.832 40.476 42.059 -1.252 0.000 0.906 184 L HN 0.046 nan 8.230 nan 0.000 0.436 185 H N -0.459 118.404 119.070 -0.345 0.000 2.421 185 H HA -0.251 4.307 4.556 0.003 0.000 0.298 185 H C 2.092 177.369 175.328 -0.084 0.000 1.087 185 H CA 1.905 57.849 56.048 -0.173 0.000 1.330 185 H CB 0.354 30.041 29.762 -0.124 0.000 1.388 185 H HN 0.285 nan 8.280 nan 0.000 0.526 186 E N 0.066 120.327 120.200 0.102 0.000 2.208 186 E HA -0.080 4.271 4.350 0.002 0.000 0.193 186 E C 2.053 178.711 176.600 0.097 0.000 0.988 186 E CA 0.668 57.154 56.400 0.144 0.000 0.828 186 E CB -0.204 29.569 29.700 0.122 0.000 0.763 186 E HN 0.552 nan 8.360 nan 0.000 0.478 187 L N -0.042 121.192 121.223 0.018 0.000 1.988 187 L HA -0.146 4.195 4.340 0.002 0.000 0.207 187 L C 2.499 179.351 176.870 -0.030 0.000 1.071 187 L CA 1.129 55.976 54.840 0.012 0.000 0.744 187 L CB -0.760 41.294 42.059 -0.007 0.000 0.893 187 L HN 0.269 nan 8.230 nan 0.000 0.433 188 A N -0.276 122.475 122.820 -0.116 0.000 1.882 188 A HA -0.372 3.949 4.320 0.002 0.000 0.220 188 A C 2.129 179.614 177.584 -0.165 0.000 1.253 188 A CA 2.413 54.349 52.037 -0.170 0.000 0.664 188 A CB -0.969 17.848 19.000 -0.305 0.000 0.838 188 A HN 0.542 nan 8.150 nan 0.000 0.460 189 Q N -2.356 117.330 119.800 -0.189 0.000 2.234 189 Q HA -0.184 4.157 4.340 0.002 0.000 0.206 189 Q C 1.330 177.092 176.000 -0.397 0.000 0.980 189 Q CA 1.580 57.230 55.803 -0.255 0.000 0.869 189 Q CB -0.104 28.540 28.738 -0.156 0.000 0.912 189 Q HN 0.886 nan 8.270 nan 0.000 0.436 190 H N -2.581 116.466 119.070 -0.038 0.000 3.622 190 H HA 0.183 4.740 4.556 0.001 0.000 0.259 190 H C -0.261 175.057 175.328 -0.018 0.000 1.145 190 H CA -0.203 55.832 56.048 -0.022 0.000 1.178 190 H CB 0.625 30.379 29.762 -0.013 0.000 1.542 190 H HN 0.105 nan 8.280 nan 0.000 0.586 191 N N 0.335 119.079 118.700 0.073 0.000 2.473 191 N HA 0.122 4.863 4.740 0.002 0.000 0.291 191 N C 0.445 175.965 175.510 0.017 0.000 1.083 191 N CA 0.168 53.247 53.050 0.048 0.000 0.951 191 N CB 1.831 40.346 38.487 0.046 0.000 1.164 191 N HN -0.123 nan 8.380 nan 0.000 0.480 192 T N -0.544 114.020 114.554 0.017 0.000 3.057 192 T HA 0.007 4.358 4.350 0.002 0.000 0.254 192 T C 1.446 176.150 174.700 0.006 0.000 0.965 192 T CA 0.217 62.320 62.100 0.005 0.000 0.978 192 T CB -0.029 68.841 68.868 0.004 0.000 1.169 192 T HN 0.627 nan 8.240 nan 0.000 0.489 193 S N 1.317 117.023 115.700 0.010 0.000 2.489 193 S HA 0.188 4.659 4.470 0.002 0.000 0.228 193 S C 0.739 175.344 174.600 0.007 0.000 0.995 193 S CA -0.233 57.971 58.200 0.006 0.000 0.934 193 S CB -0.483 62.721 63.200 0.006 0.000 0.771 193 S HN 0.219 nan 8.310 nan 0.000 0.522 194 L N 2.655 123.887 121.223 0.015 0.000 2.640 194 L HA 0.023 4.364 4.340 0.002 0.000 0.280 194 L C 1.085 177.963 176.870 0.014 0.000 1.229 194 L CA 0.910 55.762 54.840 0.019 0.000 0.919 194 L CB 0.009 42.087 42.059 0.032 0.000 1.168 194 L HN 0.257 nan 8.230 nan 0.000 0.496 195 E N 2.398 122.603 120.200 0.008 0.000 2.280 195 E HA 0.165 4.516 4.350 0.002 0.000 0.197 195 E C -0.708 175.894 176.600 0.003 0.000 0.913 195 E CA 0.104 56.506 56.400 0.003 0.000 0.995 195 E CB 0.816 30.512 29.700 -0.006 0.000 0.991 195 E HN 0.399 nan 8.360 nan 0.000 0.484 196 V N 1.930 121.842 119.914 -0.004 0.000 2.540 196 V HA 0.514 4.636 4.120 0.002 0.000 0.302 196 V C -1.835 174.255 176.094 -0.007 0.000 1.035 196 V CA -0.798 61.494 62.300 -0.013 0.000 0.873 196 V CB 1.727 33.532 31.823 -0.030 0.000 0.992 196 V HN 0.075 nan 8.190 nan 0.000 0.428 197 L N 6.329 127.543 121.223 -0.015 0.000 2.406 197 L HA 0.716 5.057 4.340 0.002 0.000 0.272 197 L C -1.085 175.737 176.870 -0.080 0.000 0.980 197 L CA -0.063 54.785 54.840 0.013 0.000 0.831 197 L CB 1.731 43.820 42.059 0.049 0.000 1.253 197 L HN 0.823 nan 8.230 nan 0.000 0.406 198 N N 4.965 123.653 118.700 -0.020 0.000 2.519 198 N HA 0.412 5.153 4.740 0.002 0.000 0.286 198 N C -1.609 173.961 175.510 0.099 0.000 1.079 198 N CA -0.470 52.526 53.050 -0.091 0.000 0.878 198 N CB 0.837 39.290 38.487 -0.057 0.000 1.375 198 N HN 0.440 nan 8.380 nan 0.000 0.514 199 F N 3.182 123.194 119.950 0.102 0.000 2.542 199 F HA 0.385 4.914 4.527 0.003 0.000 0.323 199 F C 0.444 176.391 175.800 0.244 0.000 1.411 199 F CA -0.965 57.159 58.000 0.206 0.000 1.124 199 F CB -0.174 39.009 39.000 0.304 0.000 1.331 199 F HN 0.244 nan 8.300 nan 0.000 0.560 200 Y N 1.980 122.301 120.300 0.036 0.000 2.109 200 Y HA 0.125 4.676 4.550 0.002 0.000 0.285 200 Y C 0.972 176.865 175.900 -0.011 0.000 1.131 200 Y CA 1.357 59.427 58.100 -0.050 0.000 1.121 200 Y CB 0.050 38.466 38.460 -0.072 0.000 0.987 200 Y HN 0.396 nan 8.280 nan 0.000 0.495 201 M N 1.680 121.236 119.600 -0.073 0.000 3.347 201 M HA 0.208 4.689 4.480 0.002 0.000 0.260 201 M C -0.824 175.448 176.300 -0.047 0.000 1.362 201 M CA 0.116 55.275 55.300 -0.235 0.000 1.497 201 M CB 0.235 32.657 32.600 -0.296 0.000 1.080 201 M HN 0.210 nan 8.290 nan 0.000 0.592 202 T N -2.260 112.329 114.554 0.059 0.000 3.032 202 T HA 0.446 4.797 4.350 0.002 0.000 0.312 202 T C -0.611 174.110 174.700 0.034 0.000 1.078 202 T CA -1.118 61.041 62.100 0.099 0.000 1.028 202 T CB 1.514 70.642 68.868 0.435 0.000 1.091 202 T HN 0.284 nan 8.240 nan 0.000 0.457 203 E N 2.929 123.001 120.200 -0.214 0.000 1.861 203 E HA 0.260 4.611 4.350 0.002 0.000 0.263 203 E C -1.132 175.301 176.600 -0.279 0.000 1.137 203 E CA -0.196 56.079 56.400 -0.208 0.000 0.944 203 E CB -0.066 29.469 29.700 -0.274 0.000 1.092 203 E HN 0.552 nan 8.360 nan 0.000 0.420 204 F N 0.714 120.674 119.950 0.017 0.000 2.427 204 F HA 0.397 4.924 4.527 0.001 0.000 0.346 204 F C 0.944 176.708 175.800 -0.060 0.000 1.120 204 F CA -0.601 57.416 58.000 0.028 0.000 1.033 204 F CB 1.849 40.853 39.000 0.006 0.000 1.126 204 F HN 0.416 nan 8.300 nan 0.000 0.462 205 A N 2.840 125.751 122.820 0.153 0.000 2.551 205 A HA 0.279 4.600 4.320 0.002 0.000 0.252 205 A C 0.878 178.511 177.584 0.082 0.000 1.199 205 A CA -0.183 51.893 52.037 0.066 0.000 0.972 205 A CB 0.082 19.099 19.000 0.030 0.000 1.153 205 A HN 0.711 nan 8.150 nan 0.000 0.559 206 K N 0.777 121.259 120.400 0.138 0.000 2.506 206 K HA 0.318 4.639 4.320 0.002 0.000 0.204 206 K C -0.294 176.351 176.600 0.075 0.000 1.045 206 K CA -0.018 56.336 56.287 0.112 0.000 1.074 206 K CB 0.507 33.087 32.500 0.134 0.000 0.842 206 K HN 0.678 nan 8.250 nan 0.000 0.514 207 I N -1.732 118.860 120.570 0.037 0.000 2.377 207 I HA 0.356 4.527 4.170 0.002 0.000 0.293 207 I C -0.065 176.134 176.117 0.136 0.000 0.987 207 I CA -0.718 60.559 61.300 -0.039 0.000 1.185 207 I CB 1.824 39.675 38.000 -0.248 0.000 1.341 207 I HN -0.203 nan 8.210 nan 0.000 0.455 208 S N 6.954 122.710 115.700 0.094 0.000 2.523 208 S HA 0.363 4.834 4.470 0.002 0.000 0.275 208 S C -1.070 173.598 174.600 0.114 0.000 1.281 208 S CA -1.387 56.890 58.200 0.127 0.000 1.050 208 S CB 0.850 64.086 63.200 0.060 0.000 0.937 208 S HN 0.651 nan 8.310 nan 0.000 0.492 209 P HA -0.105 nan 4.420 nan 0.000 0.218 209 P C 0.989 178.153 177.300 -0.227 0.000 1.149 209 P CA 0.917 63.771 63.100 -0.410 0.000 0.817 209 P CB 0.101 31.449 31.700 -0.588 0.000 0.785 210 K N 0.155 120.488 120.400 -0.112 0.000 2.127 210 K HA -0.182 4.139 4.320 0.002 0.000 0.208 210 K C 1.654 178.192 176.600 -0.103 0.000 1.047 210 K CA 1.365 57.602 56.287 -0.083 0.000 0.927 210 K CB -0.804 31.671 32.500 -0.042 0.000 0.716 210 K HN 0.233 nan 8.250 nan 0.000 0.450 211 D N 0.783 121.114 120.400 -0.115 0.000 2.149 211 D HA -0.106 4.535 4.640 0.002 0.000 0.201 211 D C 1.920 178.130 176.300 -0.150 0.000 0.972 211 D CA 0.484 54.384 54.000 -0.167 0.000 0.835 211 D CB -0.081 40.608 40.800 -0.186 0.000 0.966 211 D HN 0.004 nan 8.370 nan 0.000 0.476 212 L N 1.548 122.681 121.223 -0.151 0.000 2.083 212 L HA -0.116 4.225 4.340 0.002 0.000 0.209 212 L C 2.096 178.934 176.870 -0.052 0.000 1.083 212 L CA 1.703 56.444 54.840 -0.165 0.000 0.752 212 L CB -0.606 41.255 42.059 -0.331 0.000 0.899 212 L HN -0.000 nan 8.230 nan 0.000 0.433 213 E N -1.325 118.850 120.200 -0.043 0.000 2.015 213 E HA -0.269 4.082 4.350 0.002 0.000 0.191 213 E C 2.027 178.639 176.600 0.020 0.000 0.991 213 E CA 1.710 58.148 56.400 0.063 0.000 0.802 213 E CB -0.258 29.440 29.700 -0.004 0.000 0.759 213 E HN 0.507 nan 8.360 nan 0.000 0.447 214 T N -0.072 114.455 114.554 -0.045 0.000 2.946 214 T HA -0.112 4.239 4.350 0.002 0.000 0.271 214 T C 1.824 176.492 174.700 -0.053 0.000 1.104 214 T CA 1.090 63.150 62.100 -0.066 0.000 1.114 214 T CB -0.300 68.499 68.868 -0.114 0.000 0.867 214 T HN 0.216 nan 8.240 nan 0.000 0.513 215 I N 0.741 121.293 120.570 -0.030 0.000 2.333 215 I HA 0.026 4.197 4.170 0.002 0.000 0.246 215 I C 3.044 179.179 176.117 0.030 0.000 1.106 215 I CA 0.929 62.224 61.300 -0.009 0.000 1.411 215 I CB -0.600 37.402 38.000 0.002 0.000 1.082 215 I HN 0.328 nan 8.210 nan 0.000 0.420 216 A N 0.820 123.692 122.820 0.087 0.000 1.902 216 A HA -0.255 4.066 4.320 0.002 0.000 0.217 216 A C 2.358 179.930 177.584 -0.020 0.000 1.181 216 A CA 1.724 53.799 52.037 0.063 0.000 0.623 216 A CB -0.617 18.419 19.000 0.060 0.000 0.818 216 A HN 0.286 nan 8.150 nan 0.000 0.443 217 R N -0.599 119.886 120.500 -0.025 0.000 2.152 217 R HA -0.082 4.259 4.340 0.002 0.000 0.232 217 R C 1.311 177.589 176.300 -0.038 0.000 1.117 217 R CA 1.612 57.687 56.100 -0.043 0.000 0.981 217 R CB -0.082 30.191 30.300 -0.045 0.000 0.870 217 R HN 0.515 nan 8.270 nan 0.000 0.451 218 N N -1.421 117.260 118.700 -0.031 0.000 2.368 218 N HA 0.049 4.790 4.740 0.002 0.000 0.178 218 N C -0.640 174.858 175.510 -0.020 0.000 1.076 218 N CA 0.364 53.395 53.050 -0.031 0.000 0.889 218 N CB 0.661 39.124 38.487 -0.039 0.000 1.040 218 N HN 0.083 nan 8.380 nan 0.000 0.463 219 C N 1.827 121.120 119.300 -0.011 0.000 2.184 219 C HA 0.406 4.867 4.460 0.002 0.000 0.328 219 C C 1.594 176.578 174.990 -0.010 0.000 1.081 219 C CA -0.893 58.123 59.018 -0.004 0.000 1.533 219 C CB 0.079 27.825 27.740 0.010 0.000 1.905 219 C HN 0.167 nan 8.230 nan 0.000 0.439 220 R N 1.093 121.584 120.500 -0.015 0.000 2.193 220 R HA -0.048 4.293 4.340 0.002 0.000 0.229 220 R C 1.781 178.071 176.300 -0.017 0.000 1.110 220 R CA 0.948 57.036 56.100 -0.020 0.000 0.988 220 R CB -0.185 30.102 30.300 -0.021 0.000 0.871 220 R HN 0.619 nan 8.270 nan 0.000 0.458 221 S N 0.003 115.697 115.700 -0.010 0.000 2.597 221 S HA 0.156 4.627 4.470 0.002 0.000 0.224 221 S C -0.125 174.473 174.600 -0.003 0.000 0.955 221 S CA -0.493 57.702 58.200 -0.008 0.000 0.933 221 S CB 0.037 63.233 63.200 -0.008 0.000 0.788 221 S HN 0.059 nan 8.310 nan 0.000 0.488 222 L N 2.509 123.733 121.223 0.001 0.000 2.530 222 L HA 0.160 4.501 4.340 0.002 0.000 0.273 222 L C 0.761 177.640 176.870 0.015 0.000 1.141 222 L CA 0.613 55.463 54.840 0.017 0.000 0.905 222 L CB 0.369 42.449 42.059 0.035 0.000 1.202 222 L HN 0.010 nan 8.230 nan 0.000 0.473 223 V N 2.520 122.444 119.914 0.016 0.000 3.048 223 V HA 0.246 4.367 4.120 0.002 0.000 0.241 223 V C 0.689 176.799 176.094 0.027 0.000 1.129 223 V CA 0.812 63.120 62.300 0.013 0.000 1.128 223 V CB 0.630 32.454 31.823 0.001 0.000 0.849 223 V HN 0.784 nan 8.190 nan 0.000 0.475 224 S N -0.005 115.707 115.700 0.020 0.000 2.541 224 S HA 0.705 5.176 4.470 0.002 0.000 0.280 224 S C -1.466 173.125 174.600 -0.015 0.000 1.112 224 S CA -0.269 57.934 58.200 0.005 0.000 0.925 224 S CB 1.915 65.096 63.200 -0.032 0.000 1.067 224 S HN 0.516 nan 8.310 nan 0.000 0.479 225 V N 4.518 124.400 119.914 -0.054 0.000 2.697 225 V HA 0.676 4.797 4.120 0.002 0.000 0.300 225 V C -1.756 174.060 176.094 -0.464 0.000 1.115 225 V CA -0.562 61.628 62.300 -0.183 0.000 0.912 225 V CB 1.546 33.333 31.823 -0.060 0.000 1.024 225 V HN 0.981 nan 8.190 nan 0.000 0.431 226 K N 4.533 124.595 120.400 -0.563 0.000 2.267 226 K HA 0.932 5.253 4.320 0.002 0.000 0.246 226 K C -1.365 174.772 176.600 -0.772 0.000 0.954 226 K CA -0.886 54.971 56.287 -0.717 0.000 0.824 226 K CB 2.746 34.890 32.500 -0.594 0.000 1.167 226 K HN 0.566 nan 8.250 nan 0.000 0.431 227 V N 0.267 119.851 119.914 -0.550 0.000 3.206 227 V HA 0.392 4.513 4.120 0.002 0.000 0.305 227 V C 0.373 176.515 176.094 0.079 0.000 1.257 227 V CA -0.643 61.411 62.300 -0.410 0.000 1.057 227 V CB 2.260 33.925 31.823 -0.262 0.000 1.075 227 V HN 1.017 nan 8.190 nan 0.000 0.443 228 G N -0.194 108.773 108.800 0.278 0.000 2.679 228 G HA2 0.124 4.085 3.960 0.002 0.000 0.202 228 G HA3 0.124 4.085 3.960 0.002 0.000 0.202 228 G C -0.077 174.934 174.900 0.185 0.000 1.566 228 G CA 0.126 45.375 45.100 0.248 0.000 1.074 228 G HN 0.667 nan 8.290 nan 0.000 0.564 229 D N 0.141 120.620 120.400 0.131 0.000 2.706 229 D HA 0.228 4.869 4.640 0.002 0.000 0.236 229 D C 0.004 176.429 176.300 0.209 0.000 1.231 229 D CA -0.221 53.897 54.000 0.196 0.000 0.828 229 D CB -0.409 40.489 40.800 0.164 0.000 1.015 229 D HN 0.114 nan 8.370 nan 0.000 0.484 230 F N 1.210 121.288 119.950 0.212 0.000 2.595 230 F HA -0.068 4.460 4.527 0.002 0.000 0.359 230 F C 1.595 177.510 175.800 0.191 0.000 1.147 230 F CA 0.048 58.156 58.000 0.179 0.000 1.341 230 F CB 0.760 39.856 39.000 0.161 0.000 1.104 230 F HN -0.187 nan 8.300 nan 0.000 0.603 231 E N 3.573 124.032 120.200 0.432 0.000 2.257 231 E HA 0.039 4.390 4.350 0.002 0.000 0.278 231 E C 0.902 177.675 176.600 0.288 0.000 1.049 231 E CA -0.039 56.547 56.400 0.310 0.000 0.876 231 E CB 0.934 30.779 29.700 0.243 0.000 1.035 231 E HN 0.543 nan 8.360 nan 0.000 0.419 232 I N 4.615 125.366 120.570 0.303 0.000 2.248 232 I HA -0.334 3.837 4.170 0.002 0.000 0.248 232 I C 2.156 178.440 176.117 0.278 0.000 1.107 232 I CA 1.069 62.544 61.300 0.292 0.000 1.373 232 I CB -0.084 38.029 38.000 0.188 0.000 1.055 232 I HN 0.615 nan 8.210 nan 0.000 0.418 233 L N -0.237 121.170 121.223 0.307 0.000 2.127 233 L HA -0.243 4.098 4.340 0.002 0.000 0.211 233 L C 2.130 179.067 176.870 0.113 0.000 1.089 233 L CA 1.431 56.391 54.840 0.201 0.000 0.757 233 L CB -0.548 41.597 42.059 0.142 0.000 0.899 233 L HN 0.348 nan 8.230 nan 0.000 0.434 234 E N -0.344 119.912 120.200 0.094 0.000 2.478 234 E HA -0.104 4.247 4.350 0.002 0.000 0.198 234 E C 1.788 178.355 176.600 -0.055 0.000 1.046 234 E CA 0.377 56.783 56.400 0.011 0.000 0.870 234 E CB 0.173 29.872 29.700 -0.002 0.000 0.818 234 E HN 0.518 nan 8.360 nan 0.000 0.527 235 L N 0.190 121.418 121.223 0.009 0.000 2.607 235 L HA 0.023 4.364 4.340 0.002 0.000 0.228 235 L C 1.774 178.742 176.870 0.162 0.000 1.123 235 L CA -0.143 54.685 54.840 -0.020 0.000 0.890 235 L CB 0.437 42.455 42.059 -0.068 0.000 1.103 235 L HN 0.027 nan 8.230 nan 0.000 0.468 236 V N 0.034 120.057 119.914 0.182 0.000 2.343 236 V HA -0.204 3.917 4.120 0.002 0.000 0.247 236 V C 2.631 178.780 176.094 0.092 0.000 1.051 236 V CA 2.049 64.454 62.300 0.175 0.000 1.036 236 V CB -1.331 30.522 31.823 0.051 0.000 0.654 236 V HN 0.568 nan 8.190 nan 0.000 0.451 237 G N -0.294 108.530 108.800 0.041 0.000 2.446 237 G HA2 -0.333 3.628 3.960 0.002 0.000 0.217 237 G HA3 -0.333 3.628 3.960 0.002 0.000 0.217 237 G C 1.488 176.389 174.900 0.002 0.000 1.168 237 G CA 1.170 46.274 45.100 0.006 0.000 0.771 237 G HN 0.484 nan 8.290 nan 0.000 0.551 238 F N 1.208 121.062 119.950 -0.159 0.000 2.025 238 F HA -0.066 4.463 4.527 0.003 0.000 0.297 238 F C 2.441 178.124 175.800 -0.195 0.000 1.132 238 F CA 1.665 59.521 58.000 -0.239 0.000 1.191 238 F CB -0.769 37.983 39.000 -0.412 0.000 0.963 238 F HN 0.137 nan 8.300 nan 0.000 0.481 239 F N 0.882 120.611 119.950 -0.368 0.000 2.115 239 F HA -0.266 4.262 4.527 0.002 0.000 0.300 239 F C 2.475 178.044 175.800 -0.385 0.000 1.092 239 F CA 1.917 59.619 58.000 -0.497 0.000 1.245 239 F CB -0.623 38.179 39.000 -0.330 0.000 0.995 239 F HN -0.027 nan 8.300 nan 0.000 0.481 240 K N -0.078 120.279 120.400 -0.071 0.000 2.057 240 K HA -0.148 4.173 4.320 0.002 0.000 0.207 240 K C 2.238 178.758 176.600 -0.133 0.000 1.049 240 K CA 1.317 57.549 56.287 -0.090 0.000 0.931 240 K CB -0.439 32.024 32.500 -0.062 0.000 0.714 240 K HN 0.264 nan 8.250 nan 0.000 0.440 241 A N 0.993 123.709 122.820 -0.174 0.000 2.072 241 A HA 0.116 4.437 4.320 0.002 0.000 0.216 241 A C 1.552 179.011 177.584 -0.209 0.000 1.156 241 A CA 0.813 52.755 52.037 -0.158 0.000 0.701 241 A CB -0.028 18.901 19.000 -0.119 0.000 0.816 241 A HN 0.247 nan 8.150 nan 0.000 0.458 242 A N 0.196 122.799 122.820 -0.362 0.000 3.074 242 A HA 0.574 4.895 4.320 0.002 0.000 0.251 242 A C 1.601 179.060 177.584 -0.207 0.000 1.695 242 A CA 0.630 52.440 52.037 -0.378 0.000 1.343 242 A CB -1.079 17.429 19.000 -0.820 0.000 1.078 242 A HN 0.796 nan 8.150 nan 0.000 0.644 243 A N 1.495 124.232 122.820 -0.137 0.000 1.849 243 A HA -0.221 4.100 4.320 0.002 0.000 0.217 243 A C 1.722 179.261 177.584 -0.074 0.000 1.202 243 A CA 1.972 53.952 52.037 -0.095 0.000 0.629 243 A CB -0.503 18.453 19.000 -0.074 0.000 0.834 243 A HN 0.578 nan 8.150 nan 0.000 0.447 244 N N -0.306 118.358 118.700 -0.059 0.000 2.515 244 N HA 0.056 4.797 4.740 0.002 0.000 0.191 244 N C -0.008 175.486 175.510 -0.027 0.000 1.182 244 N CA -0.048 52.979 53.050 -0.039 0.000 0.879 244 N CB -0.592 37.877 38.487 -0.029 0.000 0.984 244 N HN 0.390 nan 8.380 nan 0.000 0.453 245 L N 1.448 122.652 121.223 -0.031 0.000 2.534 245 L HA -0.026 4.315 4.340 0.002 0.000 0.271 245 L C 1.056 177.939 176.870 0.022 0.000 1.178 245 L CA 0.767 55.613 54.840 0.010 0.000 0.907 245 L CB 0.348 42.418 42.059 0.018 0.000 1.164 245 L HN 0.163 nan 8.230 nan 0.000 0.482 246 E N 2.791 123.011 120.200 0.033 0.000 2.372 246 E HA 0.098 4.449 4.350 0.002 0.000 0.201 246 E C -0.172 176.460 176.600 0.053 0.000 0.938 246 E CA 0.102 56.518 56.400 0.027 0.000 0.944 246 E CB 0.721 30.428 29.700 0.011 0.000 0.937 246 E HN 0.680 nan 8.360 nan 0.000 0.495 247 E N 0.454 120.702 120.200 0.079 0.000 2.256 247 E HA 0.380 4.731 4.350 0.002 0.000 0.268 247 E C -1.862 174.841 176.600 0.173 0.000 0.877 247 E CA -0.586 55.863 56.400 0.083 0.000 0.757 247 E CB 1.502 31.207 29.700 0.008 0.000 1.183 247 E HN -0.039 nan 8.360 nan 0.000 0.418 248 F N 5.178 125.146 119.950 0.031 0.000 2.617 248 F HA 0.489 5.017 4.527 0.001 0.000 0.325 248 F C -1.504 174.281 175.800 -0.025 0.000 1.179 248 F CA -0.537 57.498 58.000 0.058 0.000 0.965 248 F CB 0.784 39.944 39.000 0.266 0.000 1.232 248 F HN 0.559 nan 8.300 nan 0.000 0.461 249 C N 3.869 122.861 119.300 -0.513 0.000 2.470 249 C HA 1.019 5.480 4.460 0.002 0.000 0.341 249 C C 0.722 175.293 174.990 -0.697 0.000 1.190 249 C CA 0.193 58.908 59.018 -0.505 0.000 1.904 249 C CB 0.695 27.869 27.740 -0.944 0.000 2.354 249 C HN 1.329 nan 8.230 nan 0.000 0.509 250 G N 0.569 109.326 108.800 -0.072 0.000 2.416 250 G HA2 0.482 4.443 3.960 0.002 0.000 0.203 250 G HA3 0.482 4.443 3.960 0.002 0.000 0.203 250 G C 0.124 175.249 174.900 0.375 0.000 1.227 250 G CA 0.092 45.283 45.100 0.153 0.000 1.041 250 G HN 2.672 nan 8.290 nan 0.000 0.546 251 G N -1.466 107.558 108.800 0.374 0.000 2.645 251 G HA2 0.393 4.354 3.960 0.002 0.000 0.239 251 G HA3 0.393 4.354 3.960 0.002 0.000 0.239 251 G C 0.321 175.463 174.900 0.404 0.000 1.331 251 G CA 1.229 46.622 45.100 0.488 0.000 0.890 251 G HN 2.580 nan 8.290 nan 0.000 0.572 252 S N -1.298 114.633 115.700 0.386 0.000 2.603 252 S HA 0.588 5.059 4.470 0.002 0.000 0.274 252 S C -0.728 174.021 174.600 0.249 0.000 1.168 252 S CA -0.508 57.929 58.200 0.394 0.000 0.963 252 S CB 0.917 64.328 63.200 0.351 0.000 1.078 252 S HN 1.046 nan 8.310 nan 0.000 0.477 253 L N 5.250 126.594 121.223 0.201 0.000 2.287 253 L HA 0.493 4.834 4.340 0.002 0.000 0.280 253 L C -0.330 176.625 176.870 0.142 0.000 1.055 253 L CA -0.561 54.273 54.840 -0.009 0.000 0.863 253 L CB 0.648 42.613 42.059 -0.157 0.000 1.245 253 L HN 0.581 nan 8.230 nan 0.000 0.432 254 N N 3.736 122.594 118.700 0.264 0.000 2.457 254 N HA 0.181 4.922 4.740 0.002 0.000 0.250 254 N C -0.554 175.131 175.510 0.291 0.000 0.982 254 N CA -0.465 52.715 53.050 0.216 0.000 0.941 254 N CB 1.720 40.297 38.487 0.150 0.000 1.120 254 N HN 0.549 nan 8.380 nan 0.000 0.505 255 E N 0.608 120.933 120.200 0.207 0.000 2.109 255 E HA 0.195 4.546 4.350 0.002 0.000 0.278 255 E C -0.838 175.810 176.600 0.081 0.000 0.954 255 E CA -0.929 55.573 56.400 0.171 0.000 0.779 255 E CB 0.840 30.641 29.700 0.169 0.000 1.093 255 E HN 0.386 nan 8.360 nan 0.000 0.401 256 D N 4.315 124.741 120.400 0.043 0.000 2.229 256 D HA 0.072 4.713 4.640 0.002 0.000 0.249 256 D C 0.912 177.220 176.300 0.013 0.000 1.027 256 D CA -0.747 53.265 54.000 0.021 0.000 0.923 256 D CB 1.203 42.007 40.800 0.006 0.000 1.174 256 D HN 0.350 nan 8.370 nan 0.000 0.443 257 I N 1.096 121.674 120.570 0.013 0.000 2.676 257 I HA -0.042 4.129 4.170 0.002 0.000 0.259 257 I C 2.314 178.432 176.117 0.001 0.000 1.194 257 I CA 0.650 61.957 61.300 0.011 0.000 1.473 257 I CB -1.573 36.435 38.000 0.013 0.000 1.096 257 I HN 0.660 nan 8.210 nan 0.000 0.443 258 G N 0.747 109.544 108.800 -0.006 0.000 2.708 258 G HA2 -0.043 3.918 3.960 0.002 0.000 0.210 258 G HA3 -0.043 3.918 3.960 0.002 0.000 0.210 258 G C 0.863 175.749 174.900 -0.025 0.000 1.141 258 G CA 0.124 45.216 45.100 -0.013 0.000 0.788 258 G HN 0.308 nan 8.290 nan 0.000 0.531 259 M N -0.095 119.485 119.600 -0.032 0.000 2.060 259 M HA 0.195 4.676 4.480 0.002 0.000 0.231 259 M C -2.422 173.853 176.300 -0.041 0.000 0.936 259 M CA -1.212 54.056 55.300 -0.053 0.000 0.981 259 M CB 2.754 35.294 32.600 -0.100 0.000 2.216 259 M HN -0.153 nan 8.290 nan 0.000 0.399 260 P HA -0.047 nan 4.420 nan 0.000 0.219 260 P C 0.085 177.389 177.300 0.007 0.000 1.150 260 P CA 1.103 64.206 63.100 0.006 0.000 0.814 260 P CB 0.346 32.053 31.700 0.011 0.000 0.787 261 E N -0.408 119.785 120.200 -0.013 0.000 2.663 261 E HA 0.069 4.420 4.350 0.002 0.000 0.240 261 E C 1.138 177.702 176.600 -0.061 0.000 1.227 261 E CA -0.204 56.189 56.400 -0.012 0.000 1.528 261 E CB 0.048 29.746 29.700 -0.003 0.000 1.472 261 E HN 0.156 nan 8.360 nan 0.000 0.433 262 K N 0.075 120.399 120.400 -0.127 0.000 2.007 262 K HA -0.090 4.231 4.320 0.002 0.000 0.206 262 K C 0.562 176.964 176.600 -0.329 0.000 1.047 262 K CA 1.144 57.245 56.287 -0.311 0.000 0.937 262 K CB 0.189 32.358 32.500 -0.552 0.000 0.718 262 K HN 0.282 nan 8.250 nan 0.000 0.438 263 Y N 0.034 120.337 120.300 0.005 0.000 2.645 263 Y HA 0.160 4.711 4.550 0.001 0.000 0.307 263 Y C 0.808 176.701 175.900 -0.012 0.000 1.151 263 Y CA -0.670 57.427 58.100 -0.006 0.000 1.291 263 Y CB 0.624 39.091 38.460 0.013 0.000 1.135 263 Y HN 0.037 nan 8.280 nan 0.000 0.523 264 M N -0.466 119.182 119.600 0.080 0.000 2.431 264 M HA 0.129 4.610 4.480 0.002 0.000 0.237 264 M C -0.062 176.256 176.300 0.030 0.000 1.130 264 M CA 0.478 55.816 55.300 0.062 0.000 1.002 264 M CB -0.292 32.336 32.600 0.047 0.000 1.524 264 M HN 0.188 nan 8.290 nan 0.000 0.482 265 N N 0.649 119.353 118.700 0.007 0.000 2.598 265 N HA 0.216 4.957 4.740 0.002 0.000 0.309 265 N C -1.091 174.375 175.510 -0.073 0.000 1.645 265 N CA -0.069 52.967 53.050 -0.025 0.000 0.936 265 N CB 0.864 39.333 38.487 -0.030 0.000 1.323 265 N HN 0.054 nan 8.380 nan 0.000 0.497 266 L N 1.801 122.962 121.223 -0.103 0.000 2.257 266 L HA 0.339 4.680 4.340 0.002 0.000 0.290 266 L C 0.305 176.964 176.870 -0.351 0.000 1.044 266 L CA -0.649 54.000 54.840 -0.319 0.000 0.810 266 L CB 0.971 42.740 42.059 -0.482 0.000 1.193 266 L HN 0.009 nan 8.230 nan 0.000 0.425 267 V N 1.853 121.537 119.914 -0.382 0.000 2.222 267 V HA 0.308 4.429 4.120 0.002 0.000 0.253 267 V C 0.254 176.098 176.094 -0.416 0.000 1.210 267 V CA -0.655 61.479 62.300 -0.277 0.000 1.079 267 V CB -1.129 30.596 31.823 -0.164 0.000 1.265 267 V HN 0.349 nan 8.190 nan 0.000 0.494 268 F N 4.342 124.096 119.950 -0.327 0.000 2.429 268 F HA 0.461 4.988 4.527 0.002 0.000 0.348 268 F C -1.275 174.319 175.800 -0.343 0.000 1.109 268 F CA -1.811 55.920 58.000 -0.448 0.000 1.232 268 F CB 0.548 39.253 39.000 -0.492 0.000 1.157 268 F HN 0.334 nan 8.300 nan 0.000 0.564 269 P HA 0.012 nan 4.420 nan 0.000 0.266 269 P C 0.371 177.570 177.300 -0.168 0.000 1.193 269 P CA 0.067 63.122 63.100 -0.075 0.000 0.770 269 P CB 0.576 32.264 31.700 -0.020 0.000 0.836 270 R N 2.528 122.943 120.500 -0.143 0.000 2.083 270 R HA -0.153 4.188 4.340 0.002 0.000 0.237 270 R C 1.512 177.712 176.300 -0.167 0.000 1.137 270 R CA 1.582 57.587 56.100 -0.159 0.000 0.951 270 R CB -0.428 29.814 30.300 -0.097 0.000 0.851 270 R HN 0.523 nan 8.270 nan 0.000 0.434 271 K N 0.986 121.320 120.400 -0.111 0.000 2.432 271 K HA 0.093 4.414 4.320 0.002 0.000 0.196 271 K C 0.833 177.386 176.600 -0.078 0.000 1.038 271 K CA -0.107 56.134 56.287 -0.077 0.000 0.986 271 K CB -0.028 32.445 32.500 -0.045 0.000 0.782 271 K HN 0.121 nan 8.250 nan 0.000 0.485 272 L N 2.013 123.161 121.223 -0.125 0.000 2.780 272 L HA -0.147 4.195 4.340 0.002 0.000 0.275 272 L C 0.831 177.680 176.870 -0.036 0.000 1.153 272 L CA 0.174 54.962 54.840 -0.087 0.000 0.993 272 L CB 0.084 42.052 42.059 -0.151 0.000 1.319 272 L HN 0.437 nan 8.230 nan 0.000 0.479 273 C N 2.173 121.488 119.300 0.025 0.000 3.757 273 C HA 0.411 4.872 4.460 0.002 0.000 0.358 273 C C 0.784 175.805 174.990 0.052 0.000 1.484 273 C CA -0.757 58.295 59.018 0.058 0.000 1.862 273 C CB -0.076 27.686 27.740 0.037 0.000 2.654 273 C HN 0.797 nan 8.230 nan 0.000 0.699 274 R N 1.596 122.123 120.500 0.045 0.000 2.409 274 R HA 0.819 5.160 4.340 0.002 0.000 0.313 274 R C -0.821 175.507 176.300 0.046 0.000 0.953 274 R CA -0.017 56.101 56.100 0.030 0.000 0.849 274 R CB 1.500 31.807 30.300 0.010 0.000 1.171 274 R HN 0.710 nan 8.270 nan 0.000 0.458 275 L N -1.234 120.011 121.223 0.036 0.000 2.892 275 L HA 1.008 5.349 4.340 0.002 0.000 0.269 275 L C -1.040 175.853 176.870 0.039 0.000 1.058 275 L CA -0.879 54.001 54.840 0.066 0.000 0.923 275 L CB 2.305 44.420 42.059 0.094 0.000 1.518 275 L HN 0.518 nan 8.230 nan 0.000 0.402 276 G N 1.545 110.399 108.800 0.091 0.000 2.020 276 G HA2 0.434 4.395 3.960 0.002 0.000 0.304 276 G HA3 0.434 4.395 3.960 0.002 0.000 0.304 276 G C -1.409 173.596 174.900 0.175 0.000 1.500 276 G CA -0.665 44.486 45.100 0.085 0.000 1.120 276 G HN 0.637 nan 8.290 nan 0.000 0.555 277 L N 1.575 122.888 121.223 0.150 0.000 2.349 277 L HA 0.453 4.794 4.340 0.002 0.000 0.275 277 L C 0.702 177.662 176.870 0.150 0.000 1.115 277 L CA -0.523 54.441 54.840 0.207 0.000 0.820 277 L CB 1.432 43.571 42.059 0.134 0.000 1.135 277 L HN 0.406 nan 8.230 nan 0.000 0.445 278 S N 1.575 117.378 115.700 0.172 0.000 2.565 278 S HA 0.286 4.757 4.470 0.002 0.000 0.274 278 S C -0.180 174.445 174.600 0.042 0.000 1.309 278 S CA -0.287 57.907 58.200 -0.011 0.000 1.043 278 S CB 0.322 63.439 63.200 -0.138 0.000 0.939 278 S HN 0.618 nan 8.310 nan 0.000 0.504 279 Y N -1.571 118.807 120.300 0.131 0.000 4.798 279 Y HA -0.239 4.312 4.550 0.002 0.000 0.237 279 Y C 0.531 176.459 175.900 0.046 0.000 1.017 279 Y CA 0.379 58.532 58.100 0.087 0.000 2.010 279 Y CB -2.286 36.223 38.460 0.081 0.000 1.582 279 Y HN 0.715 nan 8.280 nan 0.000 0.621 280 M N 1.567 121.235 119.600 0.113 0.000 2.356 280 M HA 0.387 4.868 4.480 0.002 0.000 0.348 280 M C 0.971 177.287 176.300 0.026 0.000 1.595 280 M CA 1.000 56.319 55.300 0.033 0.000 1.095 280 M CB 0.203 32.787 32.600 -0.027 0.000 1.963 280 M HN 0.354 nan 8.290 nan 0.000 0.459 281 G N 5.081 113.902 108.800 0.035 0.000 2.537 281 G HA2 0.491 4.452 3.960 0.002 0.000 0.297 281 G HA3 0.491 4.452 3.960 0.002 0.000 0.297 281 G C -2.447 172.458 174.900 0.009 0.000 1.310 281 G CA -1.204 43.918 45.100 0.037 0.000 1.027 281 G HN 0.565 nan 8.290 nan 0.000 0.505 282 P HA -0.051 nan 4.420 nan 0.000 0.219 282 P C 1.482 178.802 177.300 0.033 0.000 1.150 282 P CA 0.693 63.807 63.100 0.023 0.000 0.814 282 P CB 0.214 31.939 31.700 0.042 0.000 0.787 283 N N 0.162 118.892 118.700 0.049 0.000 2.223 283 N HA -0.134 4.607 4.740 0.002 0.000 0.185 283 N C 1.380 176.931 175.510 0.068 0.000 1.016 283 N CA 1.176 54.266 53.050 0.067 0.000 0.863 283 N CB -0.480 38.056 38.487 0.082 0.000 0.983 283 N HN 0.408 nan 8.380 nan 0.000 0.429 284 E N 0.586 120.814 120.200 0.046 0.000 2.431 284 E HA 0.017 4.368 4.350 0.002 0.000 0.200 284 E C 1.791 178.340 176.600 -0.085 0.000 0.995 284 E CA -0.121 56.294 56.400 0.025 0.000 0.915 284 E CB -0.431 29.270 29.700 0.002 0.000 0.930 284 E HN 0.329 nan 8.360 nan 0.000 0.496 285 M N 1.956 121.479 119.600 -0.127 0.000 2.143 285 M HA -0.119 4.362 4.480 0.002 0.000 0.258 285 M C -0.956 174.989 176.300 -0.592 0.000 1.071 285 M CA 1.914 57.044 55.300 -0.284 0.000 1.088 285 M CB -1.033 31.439 32.600 -0.213 0.000 1.360 285 M HN -0.078 nan 8.290 nan 0.000 0.404 286 P HA -0.183 nan 4.420 nan 0.000 0.218 286 P C 1.494 178.530 177.300 -0.439 0.000 1.146 286 P CA 1.724 64.535 63.100 -0.483 0.000 0.820 286 P CB -0.819 30.942 31.700 0.103 0.000 0.778 287 I N -4.718 115.697 120.570 -0.257 0.000 3.010 287 I HA -0.118 4.053 4.170 0.002 0.000 0.271 287 I C 1.450 177.429 176.117 -0.229 0.000 1.293 287 I CA 1.308 62.559 61.300 -0.080 0.000 1.452 287 I CB -0.692 37.368 38.000 0.100 0.000 1.082 287 I HN -0.069 nan 8.210 nan 0.000 0.484 288 L N -0.645 120.221 121.223 -0.595 0.000 2.416 288 L HA 0.091 4.432 4.340 0.002 0.000 0.216 288 L C 2.191 178.547 176.870 -0.856 0.000 1.098 288 L CA 0.286 54.594 54.840 -0.887 0.000 0.840 288 L CB -0.344 41.244 42.059 -0.785 0.000 0.981 288 L HN 0.121 nan 8.230 nan 0.000 0.462 289 F N 1.006 120.735 119.950 -0.368 0.000 2.065 289 F HA -0.127 4.401 4.527 0.002 0.000 0.298 289 F C -0.198 175.461 175.800 -0.236 0.000 1.112 289 F CA 0.911 58.751 58.000 -0.266 0.000 1.212 289 F CB -2.518 36.395 39.000 -0.144 0.000 0.975 289 F HN 0.089 nan 8.300 nan 0.000 0.476 290 P HA -0.195 nan 4.420 nan 0.000 0.225 290 P C 0.209 177.639 177.300 0.217 0.000 1.141 290 P CA 1.543 64.728 63.100 0.140 0.000 0.774 290 P CB -0.592 31.249 31.700 0.236 0.000 0.760 291 F N -6.977 112.981 119.950 0.013 0.000 2.916 291 F HA 0.613 5.141 4.527 0.001 0.000 0.331 291 F C 1.177 176.963 175.800 -0.024 0.000 1.268 291 F CA -0.476 57.516 58.000 -0.013 0.000 1.016 291 F CB -0.812 38.166 39.000 -0.037 0.000 1.386 291 F HN -0.256 nan 8.300 nan 0.000 0.503 292 A N 1.037 123.718 122.820 -0.231 0.000 2.067 292 A HA 0.251 4.572 4.320 0.002 0.000 0.219 292 A C 2.249 179.812 177.584 -0.034 0.000 1.158 292 A CA 1.489 53.417 52.037 -0.182 0.000 0.661 292 A CB -0.828 18.102 19.000 -0.118 0.000 0.801 292 A HN 0.707 nan 8.150 nan 0.000 0.452 293 A N -1.131 121.697 122.820 0.014 0.000 2.172 293 A HA -0.103 4.218 4.320 0.002 0.000 0.216 293 A C 1.993 179.608 177.584 0.052 0.000 1.154 293 A CA 1.500 53.557 52.037 0.034 0.000 0.701 293 A CB -0.302 18.723 19.000 0.041 0.000 0.789 293 A HN 0.664 nan 8.150 nan 0.000 0.465 294 Q N -0.740 119.109 119.800 0.082 0.000 2.394 294 Q HA 0.222 4.564 4.340 0.002 0.000 0.218 294 Q C 0.050 176.103 176.000 0.088 0.000 0.907 294 Q CA -0.225 55.638 55.803 0.100 0.000 0.919 294 Q CB 0.117 28.950 28.738 0.159 0.000 1.051 294 Q HN 0.624 nan 8.270 nan 0.000 0.538 295 I N 2.275 122.895 120.570 0.083 0.000 2.752 295 I HA -0.137 4.034 4.170 0.002 0.000 0.289 295 I C 0.964 177.099 176.117 0.031 0.000 1.197 295 I CA 0.870 62.200 61.300 0.051 0.000 1.432 295 I CB 0.441 38.434 38.000 -0.010 0.000 1.359 295 I HN 0.248 nan 8.210 nan 0.000 0.571 296 R N 4.141 124.659 120.500 0.030 0.000 2.469 296 R HA 0.257 4.598 4.340 0.002 0.000 0.250 296 R C 0.079 176.389 176.300 0.017 0.000 0.909 296 R CA -0.216 55.899 56.100 0.024 0.000 1.050 296 R CB 0.712 31.027 30.300 0.024 0.000 1.256 296 R HN 0.460 nan 8.270 nan 0.000 0.550 297 K N 1.117 121.524 120.400 0.012 0.000 2.513 297 K HA 0.400 4.721 4.320 0.002 0.000 0.251 297 K C -2.024 174.576 176.600 -0.000 0.000 0.939 297 K CA -0.631 55.659 56.287 0.005 0.000 0.793 297 K CB 1.825 34.324 32.500 -0.002 0.000 1.241 297 K HN -0.173 nan 8.250 nan 0.000 0.431 298 L N 2.904 124.126 121.223 -0.001 0.000 2.409 298 L HA 0.391 4.732 4.340 0.002 0.000 0.272 298 L C -1.346 175.522 176.870 -0.002 0.000 0.980 298 L CA -0.242 54.592 54.840 -0.011 0.000 0.826 298 L CB 1.976 44.021 42.059 -0.024 0.000 1.268 298 L HN 0.600 nan 8.230 nan 0.000 0.407 299 D N 4.202 124.604 120.400 0.003 0.000 2.736 299 D HA 0.257 4.898 4.640 0.002 0.000 0.293 299 D C 0.438 176.742 176.300 0.008 0.000 1.241 299 D CA -0.058 53.956 54.000 0.023 0.000 0.965 299 D CB 0.321 41.165 40.800 0.074 0.000 0.992 299 D HN 0.467 nan 8.370 nan 0.000 0.510 300 L N 1.638 122.844 121.223 -0.027 0.000 2.713 300 L HA 0.030 4.371 4.340 0.002 0.000 0.245 300 L C 1.933 178.753 176.870 -0.083 0.000 1.169 300 L CA -0.228 54.582 54.840 -0.050 0.000 0.962 300 L CB -0.012 42.008 42.059 -0.065 0.000 1.161 300 L HN 0.273 nan 8.230 nan 0.000 0.427 301 L N -0.264 120.844 121.223 -0.192 0.000 2.046 301 L HA -0.166 4.175 4.340 0.002 0.000 0.208 301 L C 1.453 177.975 176.870 -0.579 0.000 1.077 301 L CA 2.139 56.694 54.840 -0.475 0.000 0.747 301 L CB -0.538 41.037 42.059 -0.807 0.000 0.896 301 L HN 0.354 nan 8.230 nan 0.000 0.432 302 Y N -1.057 119.212 120.300 -0.052 0.000 2.636 302 Y HA 0.474 5.026 4.550 0.003 0.000 0.260 302 Y C 0.936 176.746 175.900 -0.150 0.000 1.177 302 Y CA -0.343 57.667 58.100 -0.150 0.000 1.209 302 Y CB -0.223 38.073 38.460 -0.274 0.000 1.166 302 Y HN 0.056 nan 8.280 nan 0.000 0.531 303 A N 0.475 123.296 122.820 0.002 0.000 2.351 303 A HA 0.411 4.732 4.320 0.002 0.000 0.257 303 A C 0.091 177.707 177.584 0.053 0.000 1.087 303 A CA -0.217 51.828 52.037 0.012 0.000 0.798 303 A CB 0.476 19.451 19.000 -0.042 0.000 1.033 303 A HN 0.326 nan 8.150 nan 0.000 0.488 304 L N 2.119 123.388 121.223 0.077 0.000 3.034 304 L HA 0.284 4.625 4.340 0.002 0.000 0.245 304 L C 0.037 176.953 176.870 0.076 0.000 1.295 304 L CA 0.536 55.437 54.840 0.103 0.000 1.068 304 L CB -0.835 41.310 42.059 0.144 0.000 1.426 304 L HN 0.663 nan 8.230 nan 0.000 0.531 305 L N -2.757 118.499 121.223 0.055 0.000 2.333 305 L HA 0.712 5.053 4.340 0.002 0.000 0.269 305 L C -0.363 176.599 176.870 0.153 0.000 1.010 305 L CA -0.706 54.162 54.840 0.046 0.000 0.818 305 L CB 1.904 43.932 42.059 -0.052 0.000 1.306 305 L HN 0.063 nan 8.230 nan 0.000 0.430 306 E N 0.194 120.487 120.200 0.156 0.000 2.250 306 E HA 0.145 4.496 4.350 0.002 0.000 0.265 306 E C 0.349 177.100 176.600 0.251 0.000 1.033 306 E CA -0.551 55.954 56.400 0.176 0.000 0.888 306 E CB 1.611 31.368 29.700 0.095 0.000 1.151 306 E HN 0.743 nan 8.360 nan 0.000 0.412 307 T N 0.222 114.846 114.554 0.115 0.000 2.714 307 T HA -0.292 4.059 4.350 0.002 0.000 0.268 307 T C 1.613 176.376 174.700 0.105 0.000 1.036 307 T CA 2.295 64.418 62.100 0.039 0.000 1.148 307 T CB -0.106 68.751 68.868 -0.019 0.000 0.856 307 T HN 0.562 nan 8.240 nan 0.000 0.462 308 E N -0.224 120.033 120.200 0.095 0.000 2.028 308 E HA -0.140 4.211 4.350 0.002 0.000 0.191 308 E C 1.957 178.612 176.600 0.093 0.000 0.988 308 E CA 1.444 57.891 56.400 0.078 0.000 0.799 308 E CB -0.096 29.638 29.700 0.055 0.000 0.755 308 E HN 0.538 nan 8.360 nan 0.000 0.447 309 D N 0.087 120.546 120.400 0.098 0.000 2.190 309 D HA -0.209 4.432 4.640 0.002 0.000 0.200 309 D C 1.827 178.154 176.300 0.045 0.000 0.992 309 D CA 1.024 55.064 54.000 0.066 0.000 0.854 309 D CB -0.465 40.358 40.800 0.039 0.000 0.936 309 D HN 0.427 nan 8.370 nan 0.000 0.462 310 H N 0.090 119.168 119.070 0.014 0.000 2.319 310 H HA -0.099 4.458 4.556 0.002 0.000 0.299 310 H C 2.449 177.778 175.328 0.002 0.000 1.092 310 H CA 1.371 57.422 56.048 0.006 0.000 1.302 310 H CB -0.169 29.598 29.762 0.008 0.000 1.373 310 H HN 0.256 nan 8.280 nan 0.000 0.497 311 C N 0.209 119.590 119.300 0.134 0.000 2.429 311 C HA -0.130 4.331 4.460 0.002 0.000 0.277 311 C C 3.137 178.120 174.990 -0.011 0.000 1.262 311 C CA 1.508 60.559 59.018 0.056 0.000 1.733 311 C CB -1.150 26.620 27.740 0.051 0.000 2.010 311 C HN 0.734 nan 8.230 nan 0.000 0.483 312 T N -0.646 113.912 114.554 0.006 0.000 2.881 312 T HA -0.123 4.228 4.350 0.002 0.000 0.270 312 T C 1.663 176.371 174.700 0.013 0.000 1.068 312 T CA 1.360 63.449 62.100 -0.018 0.000 1.131 312 T CB -0.356 68.524 68.868 0.020 0.000 0.871 312 T HN 0.577 nan 8.240 nan 0.000 0.479 313 L N -0.111 121.138 121.223 0.043 0.000 2.130 313 L HA 0.208 4.549 4.340 0.002 0.000 0.200 313 L C 2.640 179.500 176.870 -0.017 0.000 1.075 313 L CA 0.704 55.580 54.840 0.061 0.000 0.768 313 L CB -0.187 41.855 42.059 -0.028 0.000 0.933 313 L HN 0.185 nan 8.230 nan 0.000 0.451 314 I N -0.184 120.369 120.570 -0.029 0.000 2.185 314 I HA -0.373 3.798 4.170 0.002 0.000 0.246 314 I C 2.481 178.536 176.117 -0.104 0.000 1.088 314 I CA 1.415 62.699 61.300 -0.027 0.000 1.347 314 I CB -1.115 36.897 38.000 0.021 0.000 1.041 314 I HN 0.545 nan 8.210 nan 0.000 0.415 315 Q N 1.685 121.347 119.800 -0.230 0.000 2.248 315 Q HA -0.212 4.129 4.340 0.002 0.000 0.208 315 Q C 1.827 177.582 176.000 -0.410 0.000 0.984 315 Q CA 1.559 57.008 55.803 -0.590 0.000 0.875 315 Q CB 0.034 28.431 28.738 -0.568 0.000 0.910 315 Q HN 0.593 nan 8.270 nan 0.000 0.433 316 K N -1.248 119.045 120.400 -0.178 0.000 2.393 316 K HA 0.088 4.409 4.320 0.002 0.000 0.193 316 K C 0.470 177.047 176.600 -0.038 0.000 1.026 316 K CA 0.084 56.316 56.287 -0.091 0.000 1.064 316 K CB 0.617 33.114 32.500 -0.005 0.000 0.833 316 K HN 0.094 nan 8.250 nan 0.000 0.521 317 C N 3.112 122.395 119.300 -0.029 0.000 2.566 317 C HA 0.234 4.695 4.460 0.002 0.000 0.300 317 C C -1.261 173.753 174.990 0.039 0.000 1.147 317 C CA -1.399 57.620 59.018 0.001 0.000 1.644 317 C CB 0.305 28.038 27.740 -0.013 0.000 1.691 317 C HN 0.235 nan 8.230 nan 0.000 0.440 318 P HA -0.081 nan 4.420 nan 0.000 0.223 318 P C 0.734 178.072 177.300 0.063 0.000 1.151 318 P CA 1.446 64.599 63.100 0.088 0.000 0.787 318 P CB 0.328 32.079 31.700 0.085 0.000 0.788 319 N N -0.580 118.149 118.700 0.048 0.000 2.205 319 N HA 0.066 4.807 4.740 0.002 0.000 0.201 319 N C 0.602 176.134 175.510 0.037 0.000 1.128 319 N CA -0.310 52.764 53.050 0.041 0.000 0.867 319 N CB -0.002 38.507 38.487 0.037 0.000 0.996 319 N HN 0.139 nan 8.380 nan 0.000 0.503 320 L N 2.894 124.140 121.223 0.037 0.000 2.700 320 L HA -0.101 4.240 4.340 0.002 0.000 0.276 320 L C 1.320 178.214 176.870 0.040 0.000 1.200 320 L CA 0.747 55.607 54.840 0.034 0.000 0.951 320 L CB 0.398 42.476 42.059 0.033 0.000 1.226 320 L HN 0.251 nan 8.230 nan 0.000 0.489 321 E N 3.452 123.673 120.200 0.035 0.000 2.562 321 E HA 0.212 4.563 4.350 0.002 0.000 0.214 321 E C -0.570 176.054 176.600 0.040 0.000 0.979 321 E CA -0.209 56.215 56.400 0.040 0.000 1.002 321 E CB 0.551 30.272 29.700 0.035 0.000 1.048 321 E HN 0.355 nan 8.360 nan 0.000 0.488 322 V N 2.061 121.994 119.914 0.032 0.000 2.612 322 V HA 0.384 4.505 4.120 0.002 0.000 0.301 322 V C -1.356 174.755 176.094 0.029 0.000 1.059 322 V CA -0.950 61.367 62.300 0.028 0.000 0.886 322 V CB 1.877 33.702 31.823 0.003 0.000 1.007 322 V HN 0.257 nan 8.190 nan 0.000 0.426 323 L N 4.063 125.313 121.223 0.045 0.000 2.410 323 L HA 0.762 5.103 4.340 0.002 0.000 0.270 323 L C -0.660 176.241 176.870 0.052 0.000 0.983 323 L CA 0.170 55.037 54.840 0.045 0.000 0.822 323 L CB 2.146 44.239 42.059 0.057 0.000 1.285 323 L HN 0.719 nan 8.230 nan 0.000 0.409 324 E N 3.296 123.517 120.200 0.034 0.000 2.218 324 E HA 0.607 4.958 4.350 0.002 0.000 0.263 324 E C -1.193 175.411 176.600 0.007 0.000 0.879 324 E CA -0.598 55.819 56.400 0.028 0.000 0.762 324 E CB 2.214 31.921 29.700 0.012 0.000 1.166 324 E HN 0.682 nan 8.360 nan 0.000 0.415 325 T N 1.298 115.862 114.554 0.018 0.000 2.769 325 T HA 0.357 4.708 4.350 0.002 0.000 0.306 325 T C -0.985 173.713 174.700 -0.004 0.000 1.400 325 T CA -0.723 61.390 62.100 0.021 0.000 1.007 325 T CB 1.193 70.139 68.868 0.130 0.000 1.392 325 T HN 0.340 nan 8.240 nan 0.000 0.500 326 R N 1.216 121.709 120.500 -0.012 0.000 2.649 326 R HA 0.292 4.633 4.340 0.002 0.000 0.270 326 R C 1.593 177.863 176.300 -0.050 0.000 1.105 326 R CA 0.037 56.111 56.100 -0.044 0.000 1.193 326 R CB 0.174 30.445 30.300 -0.049 0.000 1.120 326 R HN 0.852 nan 8.270 nan 0.000 0.561 327 N N -0.505 118.164 118.700 -0.051 0.000 2.571 327 N HA -0.092 4.649 4.740 0.002 0.000 0.189 327 N C 0.967 176.421 175.510 -0.094 0.000 1.154 327 N CA 0.068 53.090 53.050 -0.048 0.000 0.907 327 N CB 0.037 38.517 38.487 -0.011 0.000 0.977 327 N HN 0.154 nan 8.380 nan 0.000 0.449 328 V N 1.067 120.903 119.914 -0.130 0.000 2.568 328 V HA -0.233 3.888 4.120 0.002 0.000 0.253 328 V C 2.345 178.209 176.094 -0.384 0.000 1.072 328 V CA 1.080 63.268 62.300 -0.187 0.000 1.084 328 V CB -0.649 31.099 31.823 -0.125 0.000 0.676 328 V HN 0.364 nan 8.190 nan 0.000 0.469 329 I N 0.812 121.056 120.570 -0.544 0.000 2.182 329 I HA -0.152 4.019 4.170 0.002 0.000 0.248 329 I C 1.287 177.260 176.117 -0.240 0.000 1.073 329 I CA 1.600 62.571 61.300 -0.550 0.000 1.335 329 I CB -0.831 37.040 38.000 -0.215 0.000 1.031 329 I HN 0.520 nan 8.210 nan 0.000 0.420 330 G N -0.450 108.265 108.800 -0.142 0.000 2.819 330 G HA2 -0.260 3.701 3.960 0.002 0.000 0.682 330 G HA3 -0.260 3.701 3.960 0.002 0.000 0.682 330 G C 0.383 175.267 174.900 -0.026 0.000 1.481 330 G CA -0.033 45.027 45.100 -0.066 0.000 0.904 330 G HN 0.299 nan 8.290 nan 0.000 0.563 331 D N 0.069 120.466 120.400 -0.004 0.000 2.123 331 D HA -0.120 4.521 4.640 0.002 0.000 0.196 331 D C 2.395 178.707 176.300 0.020 0.000 0.992 331 D CA 1.506 55.514 54.000 0.014 0.000 0.833 331 D CB -0.001 40.810 40.800 0.018 0.000 0.954 331 D HN 0.553 nan 8.370 nan 0.000 0.455 332 R N 0.507 121.016 120.500 0.016 0.000 2.083 332 R HA -0.127 4.214 4.340 0.002 0.000 0.237 332 R C 2.376 178.699 176.300 0.038 0.000 1.137 332 R CA 1.950 58.067 56.100 0.027 0.000 0.951 332 R CB -0.615 29.699 30.300 0.024 0.000 0.851 332 R HN 0.157 nan 8.270 nan 0.000 0.434 333 G N 0.849 109.664 108.800 0.026 0.000 2.446 333 G HA2 -0.262 3.699 3.960 0.002 0.000 0.217 333 G HA3 -0.262 3.699 3.960 0.002 0.000 0.217 333 G C 1.455 176.390 174.900 0.059 0.000 1.168 333 G CA 0.978 46.105 45.100 0.044 0.000 0.771 333 G HN 0.280 nan 8.290 nan 0.000 0.551 334 L N 0.169 121.418 121.223 0.043 0.000 2.079 334 L HA -0.114 4.227 4.340 0.002 0.000 0.210 334 L C 2.909 179.817 176.870 0.063 0.000 1.081 334 L CA 1.413 56.285 54.840 0.054 0.000 0.752 334 L CB -0.371 41.715 42.059 0.045 0.000 0.896 334 L HN 0.315 nan 8.230 nan 0.000 0.433 335 E N -0.561 119.674 120.200 0.059 0.000 2.110 335 E HA -0.190 4.161 4.350 0.002 0.000 0.193 335 E C 2.245 178.903 176.600 0.095 0.000 0.988 335 E CA 1.390 57.826 56.400 0.060 0.000 0.804 335 E CB -0.083 29.647 29.700 0.050 0.000 0.745 335 E HN 0.314 nan 8.360 nan 0.000 0.458 336 V N 1.341 121.332 119.914 0.128 0.000 2.343 336 V HA -0.236 3.885 4.120 0.002 0.000 0.247 336 V C 2.269 178.526 176.094 0.273 0.000 1.051 336 V CA 1.348 63.784 62.300 0.228 0.000 1.036 336 V CB -0.385 31.524 31.823 0.143 0.000 0.654 336 V HN 0.228 nan 8.190 nan 0.000 0.451 337 L N 0.550 121.869 121.223 0.160 0.000 2.362 337 L HA 0.065 4.406 4.340 0.002 0.000 0.219 337 L C 2.261 179.195 176.870 0.108 0.000 1.134 337 L CA 1.737 56.659 54.840 0.138 0.000 0.807 337 L CB -0.656 41.463 42.059 0.100 0.000 0.927 337 L HN 0.217 nan 8.230 nan 0.000 0.447 338 A N -0.845 122.023 122.820 0.080 0.000 1.970 338 A HA -0.108 4.213 4.320 0.002 0.000 0.216 338 A C 2.049 179.620 177.584 -0.022 0.000 1.170 338 A CA 1.255 53.307 52.037 0.025 0.000 0.645 338 A CB -0.290 18.716 19.000 0.010 0.000 0.816 338 A HN 0.611 nan 8.150 nan 0.000 0.447 339 Q N -2.366 117.398 119.800 -0.060 0.000 2.189 339 Q HA 0.151 4.492 4.340 0.002 0.000 0.223 339 Q C 0.484 176.302 176.000 -0.304 0.000 0.828 339 Q CA 0.069 55.757 55.803 -0.192 0.000 0.967 339 Q CB -0.051 28.526 28.738 -0.268 0.000 1.139 339 Q HN 0.654 nan 8.270 nan 0.000 0.497 340 Y N 0.104 120.406 120.300 0.003 0.000 2.500 340 Y HA 0.206 4.757 4.550 0.002 0.000 0.284 340 Y C 0.965 176.870 175.900 0.008 0.000 1.118 340 Y CA 0.194 58.297 58.100 0.005 0.000 1.241 340 Y CB 0.993 39.459 38.460 0.009 0.000 1.171 340 Y HN 0.158 nan 8.280 nan 0.000 0.540 341 C N 2.252 121.644 119.300 0.154 0.000 2.317 341 C HA 0.355 4.816 4.460 0.002 0.000 0.306 341 C C 1.006 176.031 174.990 0.059 0.000 1.087 341 C CA -1.317 57.759 59.018 0.098 0.000 1.529 341 C CB 0.059 27.856 27.740 0.096 0.000 1.880 341 C HN 0.289 nan 8.230 nan 0.000 0.417 342 K N 0.871 121.294 120.400 0.039 0.000 2.361 342 K HA -0.004 4.317 4.320 0.002 0.000 0.196 342 K C 1.582 178.201 176.600 0.030 0.000 1.039 342 K CA 0.810 57.110 56.287 0.020 0.000 1.001 342 K CB 0.182 32.683 32.500 0.003 0.000 0.795 342 K HN 0.624 nan 8.250 nan 0.000 0.495 343 Q N 0.568 120.390 119.800 0.038 0.000 2.435 343 Q HA 0.036 4.378 4.340 0.002 0.000 0.207 343 Q C 0.649 176.677 176.000 0.046 0.000 0.956 343 Q CA -0.068 55.758 55.803 0.039 0.000 0.917 343 Q CB -0.526 28.234 28.738 0.037 0.000 0.997 343 Q HN 0.146 nan 8.270 nan 0.000 0.497 344 L N 2.183 123.438 121.223 0.053 0.000 2.615 344 L HA -0.159 4.182 4.340 0.002 0.000 0.284 344 L C 1.097 178.010 176.870 0.072 0.000 1.237 344 L CA 1.011 55.889 54.840 0.063 0.000 0.905 344 L CB 0.496 42.597 42.059 0.071 0.000 1.149 344 L HN -0.036 nan 8.230 nan 0.000 0.499 345 K N 4.200 124.646 120.400 0.077 0.000 2.474 345 K HA 0.269 4.590 4.320 0.002 0.000 0.202 345 K C -0.066 176.610 176.600 0.127 0.000 1.248 345 K CA 0.253 56.594 56.287 0.091 0.000 0.946 345 K CB 0.750 33.292 32.500 0.070 0.000 1.102 345 K HN 0.531 nan 8.250 nan 0.000 0.541 346 R N 0.974 121.544 120.500 0.117 0.000 2.532 346 R HA 0.467 4.808 4.340 0.002 0.000 0.297 346 R C -1.362 175.036 176.300 0.164 0.000 0.984 346 R CA -0.726 55.471 56.100 0.162 0.000 0.884 346 R CB 1.939 32.263 30.300 0.039 0.000 1.182 346 R HN -0.102 nan 8.270 nan 0.000 0.442 347 L N 1.834 123.208 121.223 0.252 0.000 2.436 347 L HA 0.560 4.901 4.340 0.002 0.000 0.268 347 L C -1.285 175.728 176.870 0.238 0.000 0.974 347 L CA -0.376 54.578 54.840 0.190 0.000 0.826 347 L CB 1.938 44.083 42.059 0.142 0.000 1.291 347 L HN 0.603 nan 8.230 nan 0.000 0.406 348 R N 5.799 126.410 120.500 0.184 0.000 2.575 348 R HA 0.644 4.985 4.340 0.002 0.000 0.293 348 R C -1.549 174.820 176.300 0.115 0.000 0.983 348 R CA -0.658 55.556 56.100 0.189 0.000 0.887 348 R CB 1.542 31.985 30.300 0.239 0.000 1.184 348 R HN 0.724 nan 8.270 nan 0.000 0.445 349 I N 3.634 124.271 120.570 0.112 0.000 2.750 349 I HA 0.253 4.424 4.170 0.002 0.000 0.279 349 I C 0.040 176.245 176.117 0.147 0.000 1.206 349 I CA -0.599 60.757 61.300 0.093 0.000 1.101 349 I CB 0.931 38.976 38.000 0.075 0.000 1.431 349 I HN 0.460 nan 8.210 nan 0.000 0.551 350 E N 3.951 124.205 120.200 0.089 0.000 2.398 350 E HA 0.071 4.422 4.350 0.002 0.000 0.263 350 E C 0.404 176.899 176.600 -0.174 0.000 1.046 350 E CA -0.239 56.165 56.400 0.005 0.000 0.908 350 E CB 1.334 31.001 29.700 -0.056 0.000 0.963 350 E HN 0.498 nan 8.360 nan 0.000 0.431 351 R N 1.174 121.337 120.500 -0.562 0.000 2.401 351 R HA 0.338 4.679 4.340 0.002 0.000 0.299 351 R C 0.554 176.706 176.300 -0.246 0.000 1.064 351 R CA -0.071 55.780 56.100 -0.415 0.000 1.000 351 R CB 0.547 30.470 30.300 -0.628 0.000 0.973 351 R HN 0.416 nan 8.270 nan 0.000 0.438 352 G N 1.976 110.696 108.800 -0.132 0.000 2.624 352 G HA2 0.365 4.326 3.960 0.002 0.000 0.217 352 G HA3 0.365 4.326 3.960 0.002 0.000 0.217 352 G C -0.572 174.293 174.900 -0.059 0.000 1.506 352 G CA -0.562 44.490 45.100 -0.080 0.000 1.072 352 G HN 0.857 nan 8.290 nan 0.000 0.568 353 A N 0.282 123.086 122.820 -0.026 0.000 2.655 353 A HA 0.336 4.657 4.320 0.002 0.000 0.297 353 A C 0.124 177.700 177.584 -0.014 0.000 1.461 353 A CA -0.145 51.885 52.037 -0.012 0.000 1.146 353 A CB -0.294 18.709 19.000 0.006 0.000 1.108 353 A HN 0.376 nan 8.150 nan 0.000 0.550 354 D N 2.483 122.871 120.400 -0.020 0.000 3.038 354 D HA 0.139 4.780 4.640 0.002 0.000 0.243 354 D C 0.795 177.093 176.300 -0.004 0.000 1.245 354 D CA 0.440 54.432 54.000 -0.013 0.000 0.871 354 D CB 0.460 41.250 40.800 -0.017 0.000 1.089 354 D HN 0.767 nan 8.370 nan 0.000 0.464 355 E N -0.520 119.680 120.200 -0.000 0.000 2.941 355 E HA 0.071 4.422 4.350 0.002 0.000 0.180 355 E C 0.184 176.787 176.600 0.005 0.000 1.130 355 E CA -0.293 56.109 56.400 0.004 0.000 1.243 355 E CB 0.278 29.982 29.700 0.006 0.000 1.582 355 E HN -0.054 nan 8.360 nan 0.000 0.499 356 Q N 1.945 121.749 119.800 0.007 0.000 2.664 356 Q HA 0.262 4.603 4.340 0.002 0.000 0.223 356 Q C 0.478 176.483 176.000 0.008 0.000 1.298 356 Q CA 0.535 56.343 55.803 0.008 0.000 0.965 356 Q CB 0.175 28.920 28.738 0.011 0.000 1.510 356 Q HN 0.503 nan 8.270 nan 0.000 0.567 357 G N 2.000 110.804 108.800 0.006 0.000 2.578 357 G HA2 -0.303 3.658 3.960 0.002 0.000 0.284 357 G HA3 -0.303 3.658 3.960 0.002 0.000 0.284 357 G C 0.283 175.185 174.900 0.003 0.000 1.283 357 G CA -0.232 44.871 45.100 0.005 0.000 0.944 357 G HN 0.436 nan 8.290 nan 0.000 0.558 358 M N 0.024 119.625 119.600 0.002 0.000 1.917 358 M HA 0.268 4.749 4.480 0.002 0.000 0.208 358 M C 1.898 178.199 176.300 0.002 0.000 1.215 358 M CA 0.275 55.574 55.300 -0.001 0.000 0.944 358 M CB -0.480 32.118 32.600 -0.004 0.000 1.225 358 M HN 0.719 nan 8.290 nan 0.000 0.519 359 E N 0.084 120.284 120.200 0.000 0.000 2.435 359 E HA -0.069 4.282 4.350 0.002 0.000 0.195 359 E C -0.673 175.935 176.600 0.013 0.000 1.029 359 E CA 0.538 56.944 56.400 0.010 0.000 0.865 359 E CB 0.221 29.928 29.700 0.012 0.000 0.833 359 E HN 0.600 nan 8.360 nan 0.000 0.510 360 D N -1.174 119.230 120.400 0.006 0.000 2.946 360 D HA 0.024 4.665 4.640 0.002 0.000 0.337 360 D C 0.029 176.332 176.300 0.005 0.000 1.332 360 D CA -0.633 53.373 54.000 0.009 0.000 0.935 360 D CB 0.005 40.813 40.800 0.014 0.000 1.440 360 D HN -0.244 nan 8.370 nan 0.000 0.540 361 E N -0.885 119.319 120.200 0.007 0.000 2.474 361 E HA 0.140 4.491 4.350 0.002 0.000 0.195 361 E C 0.114 176.716 176.600 0.004 0.000 1.039 361 E CA 0.459 56.863 56.400 0.006 0.000 0.881 361 E CB 0.180 29.885 29.700 0.009 0.000 0.970 361 E HN 0.468 nan 8.360 nan 0.000 0.486 362 E N -1.650 118.551 120.200 0.001 0.000 2.562 362 E HA 0.171 4.522 4.350 0.002 0.000 0.214 362 E C 0.936 177.527 176.600 -0.016 0.000 0.979 362 E CA 0.214 56.612 56.400 -0.003 0.000 1.002 362 E CB 0.975 30.675 29.700 -0.000 0.000 1.048 362 E HN 0.125 nan 8.360 nan 0.000 0.488 363 G N 1.728 110.516 108.800 -0.020 0.000 3.375 363 G HA2 0.239 4.200 3.960 0.002 0.000 0.247 363 G HA3 0.239 4.200 3.960 0.002 0.000 0.247 363 G C -0.147 174.738 174.900 -0.024 0.000 1.343 363 G CA 0.119 45.198 45.100 -0.035 0.000 1.368 363 G HN -0.090 nan 8.290 nan 0.000 0.549 364 L N 0.079 121.294 121.223 -0.014 0.000 2.362 364 L HA 0.604 4.945 4.340 0.002 0.000 0.271 364 L C -0.006 176.863 176.870 -0.000 0.000 1.002 364 L CA -1.252 53.586 54.840 -0.003 0.000 0.818 364 L CB 2.219 44.280 42.059 0.004 0.000 1.298 364 L HN -0.010 nan 8.230 nan 0.000 0.420 365 V N -0.682 119.238 119.914 0.009 0.000 2.581 365 V HA 1.025 5.146 4.120 0.002 0.000 0.303 365 V C -0.072 176.038 176.094 0.026 0.000 1.041 365 V CA -0.429 61.881 62.300 0.017 0.000 0.907 365 V CB 1.343 33.178 31.823 0.021 0.000 0.994 365 V HN 0.908 nan 8.190 nan 0.000 0.442 366 S N 2.016 117.735 115.700 0.032 0.000 2.671 366 S HA 0.431 4.902 4.470 0.002 0.000 0.277 366 S C 0.504 175.133 174.600 0.048 0.000 1.165 366 S CA -0.354 57.868 58.200 0.036 0.000 0.822 366 S CB 1.754 64.972 63.200 0.029 0.000 1.150 366 S HN 0.700 nan 8.310 nan 0.000 0.479 367 Q N 0.831 120.662 119.800 0.051 0.000 2.224 367 Q HA -0.209 4.132 4.340 0.002 0.000 0.213 367 Q C 1.975 178.008 176.000 0.055 0.000 0.998 367 Q CA 2.377 58.216 55.803 0.059 0.000 0.895 367 Q CB -0.545 28.224 28.738 0.052 0.000 0.926 367 Q HN 0.717 nan 8.270 nan 0.000 0.417 368 R N 0.192 120.719 120.500 0.044 0.000 2.082 368 R HA -0.130 4.211 4.340 0.002 0.000 0.234 368 R C 2.387 178.713 176.300 0.043 0.000 1.136 368 R CA 1.796 57.920 56.100 0.040 0.000 0.935 368 R CB -0.845 29.474 30.300 0.032 0.000 0.842 368 R HN 0.417 nan 8.270 nan 0.000 0.430 369 G N 0.873 109.698 108.800 0.043 0.000 2.421 369 G HA2 -0.233 3.728 3.960 0.002 0.000 0.216 369 G HA3 -0.233 3.728 3.960 0.002 0.000 0.216 369 G C 1.514 176.449 174.900 0.058 0.000 1.171 369 G CA 0.750 45.877 45.100 0.045 0.000 0.775 369 G HN 0.241 nan 8.290 nan 0.000 0.543 370 L N -0.051 121.213 121.223 0.070 0.000 1.971 370 L HA -0.118 4.223 4.340 0.002 0.000 0.215 370 L C 2.736 179.663 176.870 0.096 0.000 1.072 370 L CA 1.449 56.345 54.840 0.093 0.000 0.758 370 L CB -0.332 41.792 42.059 0.108 0.000 0.889 370 L HN 0.249 nan 8.230 nan 0.000 0.433 371 I N -0.790 119.832 120.570 0.087 0.000 2.493 371 I HA -0.254 3.917 4.170 0.002 0.000 0.254 371 I C 2.523 178.684 176.117 0.073 0.000 1.160 371 I CA 1.088 62.444 61.300 0.094 0.000 1.445 371 I CB -0.018 38.034 38.000 0.086 0.000 1.086 371 I HN 0.240 nan 8.210 nan 0.000 0.433 372 A N 0.562 123.413 122.820 0.052 0.000 1.902 372 A HA -0.238 4.083 4.320 0.002 0.000 0.217 372 A C 2.186 179.779 177.584 0.016 0.000 1.181 372 A CA 1.911 53.964 52.037 0.027 0.000 0.623 372 A CB -0.895 18.123 19.000 0.030 0.000 0.818 372 A HN 0.504 nan 8.150 nan 0.000 0.443 373 L N -0.394 120.854 121.223 0.042 0.000 2.072 373 L HA 0.056 4.397 4.340 0.002 0.000 0.205 373 L C 2.613 179.509 176.870 0.043 0.000 1.079 373 L CA 2.043 56.911 54.840 0.047 0.000 0.752 373 L CB -0.724 41.378 42.059 0.073 0.000 0.906 373 L HN 0.319 nan 8.230 nan 0.000 0.436 374 A N -0.994 121.871 122.820 0.075 0.000 1.978 374 A HA -0.260 4.061 4.320 0.002 0.000 0.220 374 A C 2.162 179.747 177.584 0.002 0.000 1.170 374 A CA 2.043 54.151 52.037 0.118 0.000 0.636 374 A CB -0.481 18.640 19.000 0.202 0.000 0.810 374 A HN 0.710 nan 8.150 nan 0.000 0.448 375 Q N -1.127 118.584 119.800 -0.149 0.000 2.165 375 Q HA 0.049 4.390 4.340 0.002 0.000 0.197 375 Q C 2.294 178.117 176.000 -0.296 0.000 0.952 375 Q CA 0.721 56.237 55.803 -0.477 0.000 0.848 375 Q CB -0.313 28.202 28.738 -0.372 0.000 0.931 375 Q HN 0.621 nan 8.270 nan 0.000 0.470 376 G N 1.207 109.923 108.800 -0.140 0.000 2.524 376 G HA2 -0.193 3.768 3.960 0.002 0.000 0.215 376 G HA3 -0.193 3.768 3.960 0.002 0.000 0.215 376 G C 0.459 175.325 174.900 -0.057 0.000 1.239 376 G CA 0.737 45.784 45.100 -0.088 0.000 0.798 376 G HN 0.421 nan 8.290 nan 0.000 0.557 377 C N 1.113 120.405 119.300 -0.013 0.000 2.146 377 C HA 0.529 4.990 4.460 0.002 0.000 0.338 377 C C 0.972 175.982 174.990 0.034 0.000 1.074 377 C CA -0.758 58.272 59.018 0.019 0.000 1.527 377 C CB -0.275 27.494 27.740 0.048 0.000 1.915 377 C HN 0.525 nan 8.230 nan 0.000 0.453 378 Q N 0.192 120.005 119.800 0.022 0.000 2.280 378 Q HA 0.041 4.382 4.340 0.002 0.000 0.202 378 Q C 1.331 177.370 176.000 0.065 0.000 0.903 378 Q CA 0.441 56.276 55.803 0.053 0.000 0.948 378 Q CB 0.369 29.133 28.738 0.043 0.000 1.058 378 Q HN 0.754 nan 8.270 nan 0.000 0.493 379 E N 0.217 120.453 120.200 0.060 0.000 2.472 379 E HA 0.088 4.439 4.350 0.002 0.000 0.196 379 E C -0.062 176.587 176.600 0.083 0.000 1.033 379 E CA -0.150 56.289 56.400 0.064 0.000 0.886 379 E CB 0.498 30.229 29.700 0.052 0.000 0.944 379 E HN 0.346 nan 8.360 nan 0.000 0.492 380 L N 1.913 123.195 121.223 0.097 0.000 2.640 380 L HA -0.117 4.224 4.340 0.002 0.000 0.280 380 L C 1.170 178.125 176.870 0.140 0.000 1.229 380 L CA 0.940 55.856 54.840 0.126 0.000 0.919 380 L CB 0.204 42.348 42.059 0.141 0.000 1.168 380 L HN 0.155 nan 8.230 nan 0.000 0.496 381 E N 2.516 122.814 120.200 0.164 0.000 2.421 381 E HA 0.039 4.390 4.350 0.002 0.000 0.209 381 E C -0.842 175.913 176.600 0.259 0.000 0.871 381 E CA 0.039 56.547 56.400 0.179 0.000 1.064 381 E CB 0.876 30.664 29.700 0.148 0.000 1.075 381 E HN 0.493 nan 8.360 nan 0.000 0.513 382 Y N 1.191 121.561 120.300 0.116 0.000 2.386 382 Y HA 0.494 5.045 4.550 0.002 0.000 0.334 382 Y C -1.495 174.474 175.900 0.115 0.000 1.002 382 Y CA -0.922 57.252 58.100 0.122 0.000 1.068 382 Y CB 1.333 39.847 38.460 0.091 0.000 1.203 382 Y HN -0.201 nan 8.280 nan 0.000 0.443 383 M N 6.128 125.654 119.600 -0.123 0.000 2.213 383 M HA 0.821 5.302 4.480 0.002 0.000 0.286 383 M C -1.989 174.062 176.300 -0.414 0.000 1.008 383 M CA -0.549 54.695 55.300 -0.093 0.000 0.937 383 M CB 1.453 34.119 32.600 0.110 0.000 1.600 383 M HN 0.876 nan 8.290 nan 0.000 0.450 384 A N 4.690 127.344 122.820 -0.277 0.000 2.381 384 A HA 0.810 5.131 4.320 0.002 0.000 0.299 384 A C -1.727 175.777 177.584 -0.133 0.000 1.049 384 A CA -0.541 51.315 52.037 -0.303 0.000 0.715 384 A CB 1.649 20.527 19.000 -0.203 0.000 1.222 384 A HN 0.593 nan 8.150 nan 0.000 0.428 385 V N 2.743 122.525 119.914 -0.219 0.000 2.668 385 V HA 0.273 4.394 4.120 0.002 0.000 0.304 385 V C -1.581 174.419 176.094 -0.158 0.000 1.071 385 V CA -0.403 61.835 62.300 -0.103 0.000 0.894 385 V CB 1.745 33.515 31.823 -0.088 0.000 1.008 385 V HN 0.806 nan 8.190 nan 0.000 0.425 386 Y N 3.646 123.903 120.300 -0.072 0.000 2.595 386 Y HA 0.466 5.017 4.550 0.002 0.000 0.347 386 Y C 0.347 176.219 175.900 -0.047 0.000 1.025 386 Y CA 0.059 58.119 58.100 -0.067 0.000 1.295 386 Y CB 1.507 39.934 38.460 -0.056 0.000 1.147 386 Y HN 0.454 nan 8.280 nan 0.000 0.515 387 V N 2.402 122.341 119.914 0.041 0.000 2.837 387 V HA 0.259 4.380 4.120 0.002 0.000 0.310 387 V C 0.501 176.618 176.094 0.037 0.000 1.059 387 V CA 0.021 62.341 62.300 0.033 0.000 1.004 387 V CB 1.998 33.829 31.823 0.013 0.000 1.045 387 V HN 0.812 nan 8.190 nan 0.000 0.465 388 S N 2.548 118.267 115.700 0.031 0.000 2.539 388 S HA 0.282 4.753 4.470 0.002 0.000 0.221 388 S C -0.347 174.263 174.600 0.017 0.000 0.987 388 S CA -0.052 58.163 58.200 0.025 0.000 0.929 388 S CB 0.012 63.224 63.200 0.021 0.000 0.832 388 S HN 0.864 nan 8.310 nan 0.000 0.492 389 D N 0.365 120.776 120.400 0.018 0.000 2.625 389 D HA 0.339 4.980 4.640 0.002 0.000 0.203 389 D C -1.588 174.729 176.300 0.028 0.000 1.230 389 D CA -0.498 53.513 54.000 0.018 0.000 0.784 389 D CB 0.561 41.372 40.800 0.018 0.000 1.936 389 D HN 0.021 nan 8.370 nan 0.000 0.522 390 I N 0.074 120.662 120.570 0.031 0.000 3.206 390 I HA 0.876 5.047 4.170 0.002 0.000 0.313 390 I C -0.172 175.977 176.117 0.053 0.000 1.103 390 I CA -0.841 60.490 61.300 0.051 0.000 0.985 390 I CB 1.868 39.910 38.000 0.069 0.000 1.240 390 I HN 0.248 nan 8.210 nan 0.000 0.464 391 T N -0.117 114.477 114.554 0.067 0.000 2.952 391 T HA 0.352 4.703 4.350 0.002 0.000 0.305 391 T C 0.462 175.205 174.700 0.072 0.000 1.064 391 T CA -0.554 61.582 62.100 0.061 0.000 1.008 391 T CB 0.911 69.808 68.868 0.049 0.000 1.078 391 T HN 0.678 nan 8.240 nan 0.000 0.459 392 N N 2.029 120.770 118.700 0.068 0.000 2.133 392 N HA -0.185 4.556 4.740 0.002 0.000 0.193 392 N C 1.544 177.079 175.510 0.043 0.000 1.012 392 N CA 1.598 54.687 53.050 0.065 0.000 0.871 392 N CB 0.060 38.578 38.487 0.052 0.000 1.011 392 N HN 0.770 nan 8.380 nan 0.000 0.435 393 E N 0.933 121.155 120.200 0.037 0.000 2.077 393 E HA -0.159 4.192 4.350 0.002 0.000 0.193 393 E C 1.997 178.618 176.600 0.034 0.000 0.989 393 E CA 1.456 57.872 56.400 0.025 0.000 0.800 393 E CB 0.091 29.808 29.700 0.027 0.000 0.746 393 E HN 0.403 nan 8.360 nan 0.000 0.452 394 S N 0.982 116.715 115.700 0.055 0.000 2.368 394 S HA -0.164 4.307 4.470 0.002 0.000 0.225 394 S C 2.192 176.833 174.600 0.068 0.000 1.030 394 S CA 1.118 59.361 58.200 0.073 0.000 0.999 394 S CB -0.758 62.496 63.200 0.090 0.000 0.844 394 S HN 0.303 nan 8.310 nan 0.000 0.459 395 L N 1.342 122.604 121.223 0.066 0.000 2.079 395 L HA -0.114 4.227 4.340 0.002 0.000 0.210 395 L C 2.886 179.732 176.870 -0.041 0.000 1.081 395 L CA 1.752 56.609 54.840 0.028 0.000 0.752 395 L CB -0.822 41.270 42.059 0.055 0.000 0.896 395 L HN 0.408 nan 8.230 nan 0.000 0.433 396 E N 0.236 120.413 120.200 -0.038 0.000 2.110 396 E HA -0.176 4.176 4.350 0.002 0.000 0.193 396 E C 2.285 178.826 176.600 -0.099 0.000 0.988 396 E CA 1.586 57.937 56.400 -0.082 0.000 0.804 396 E CB -0.056 29.601 29.700 -0.071 0.000 0.745 396 E HN 0.556 nan 8.360 nan 0.000 0.458 397 S N 0.560 116.232 115.700 -0.046 0.000 2.428 397 S HA -0.061 4.410 4.470 0.002 0.000 0.230 397 S C 1.957 176.571 174.600 0.023 0.000 1.014 397 S CA 0.260 58.444 58.200 -0.028 0.000 0.957 397 S CB -0.077 63.183 63.200 0.101 0.000 0.784 397 S HN 0.066 nan 8.310 nan 0.000 0.499 398 I N 2.988 123.565 120.570 0.012 0.000 2.090 398 I HA -0.077 4.094 4.170 0.002 0.000 0.236 398 I C 2.691 178.775 176.117 -0.054 0.000 1.064 398 I CA 1.790 63.091 61.300 0.002 0.000 1.324 398 I CB -2.005 35.946 38.000 -0.081 0.000 1.044 398 I HN 0.478 nan 8.210 nan 0.000 0.399 399 G N -1.000 107.723 108.800 -0.128 0.000 2.916 399 G HA2 -0.114 3.847 3.960 0.002 0.000 0.205 399 G HA3 -0.114 3.847 3.960 0.002 0.000 0.205 399 G C 1.515 176.327 174.900 -0.147 0.000 1.163 399 G CA 0.919 45.931 45.100 -0.147 0.000 0.821 399 G HN 0.361 nan 8.290 nan 0.000 0.515 400 T N -1.765 112.689 114.554 -0.167 0.000 3.038 400 T HA 0.214 4.565 4.350 0.002 0.000 0.244 400 T C 1.569 176.080 174.700 -0.315 0.000 1.016 400 T CA 0.281 62.204 62.100 -0.295 0.000 1.098 400 T CB 0.164 68.763 68.868 -0.449 0.000 0.954 400 T HN 0.371 nan 8.240 nan 0.000 0.469 401 Y N 0.692 120.980 120.300 -0.020 0.000 2.447 401 Y HA 0.363 4.914 4.550 0.002 0.000 0.286 401 Y C 0.304 176.205 175.900 0.003 0.000 1.153 401 Y CA -0.466 57.631 58.100 -0.005 0.000 1.241 401 Y CB 0.368 38.830 38.460 0.004 0.000 1.284 401 Y HN 0.018 nan 8.280 nan 0.000 0.520 402 L N 0.745 122.077 121.223 0.181 0.000 2.358 402 L HA 0.414 4.755 4.340 0.002 0.000 0.274 402 L C 0.421 177.335 176.870 0.074 0.000 1.136 402 L CA -0.309 54.603 54.840 0.120 0.000 0.970 402 L CB 0.308 42.442 42.059 0.124 0.000 1.314 402 L HN -0.154 nan 8.230 nan 0.000 0.427 403 K N 2.150 122.587 120.400 0.060 0.000 2.062 403 K HA -0.031 4.290 4.320 0.002 0.000 0.205 403 K C 0.958 177.583 176.600 0.041 0.000 1.051 403 K CA 1.193 57.500 56.287 0.032 0.000 0.941 403 K CB -0.147 32.367 32.500 0.024 0.000 0.719 403 K HN 0.814 nan 8.250 nan 0.000 0.440 404 N N 0.863 119.598 118.700 0.058 0.000 2.484 404 N HA 0.014 4.755 4.740 0.002 0.000 0.245 404 N C -0.480 175.085 175.510 0.092 0.000 1.184 404 N CA 0.024 53.114 53.050 0.067 0.000 0.884 404 N CB -0.422 38.103 38.487 0.063 0.000 1.182 404 N HN 0.053 nan 8.380 nan 0.000 0.493 405 L N -0.031 121.250 121.223 0.097 0.000 2.418 405 L HA 0.031 4.372 4.340 0.002 0.000 0.274 405 L C 0.450 177.404 176.870 0.140 0.000 1.135 405 L CA -0.288 54.633 54.840 0.135 0.000 0.870 405 L CB 0.561 42.700 42.059 0.134 0.000 1.154 405 L HN 0.404 nan 8.230 nan 0.000 0.462 406 C N 2.169 121.571 119.300 0.171 0.000 2.535 406 C HA 0.183 4.644 4.460 0.002 0.000 0.310 406 C C 0.611 175.737 174.990 0.227 0.000 1.344 406 C CA -0.074 59.050 59.018 0.178 0.000 1.831 406 C CB 0.017 27.858 27.740 0.168 0.000 2.284 406 C HN 0.724 nan 8.230 nan 0.000 0.523 407 D N -0.137 120.404 120.400 0.234 0.000 2.549 407 D HA 0.368 5.009 4.640 0.002 0.000 0.251 407 D C -1.633 174.727 176.300 0.101 0.000 1.153 407 D CA -0.099 54.020 54.000 0.197 0.000 0.861 407 D CB 1.025 41.963 40.800 0.230 0.000 1.207 407 D HN 0.208 nan 8.370 nan 0.000 0.543 408 F N 3.934 123.911 119.950 0.045 0.000 2.507 408 F HA 0.509 5.037 4.527 0.002 0.000 0.328 408 F C -0.841 174.916 175.800 -0.072 0.000 1.136 408 F CA -0.616 57.386 58.000 0.005 0.000 0.930 408 F CB 1.021 40.117 39.000 0.160 0.000 1.166 408 F HN 0.144 nan 8.300 nan 0.000 0.436 409 R N 6.979 126.950 120.500 -0.882 0.000 2.532 409 R HA 0.610 4.951 4.340 0.002 0.000 0.297 409 R C -1.995 173.799 176.300 -0.845 0.000 0.984 409 R CA -1.037 54.648 56.100 -0.692 0.000 0.884 409 R CB 2.373 32.459 30.300 -0.358 0.000 1.182 409 R HN 0.539 nan 8.270 nan 0.000 0.442 410 L N 4.019 124.881 121.223 -0.602 0.000 2.409 410 L HA 0.606 4.947 4.340 0.002 0.000 0.272 410 L C -1.464 175.177 176.870 -0.381 0.000 0.980 410 L CA -0.763 53.825 54.840 -0.420 0.000 0.826 410 L CB 2.169 44.171 42.059 -0.096 0.000 1.268 410 L HN 0.427 nan 8.230 nan 0.000 0.407 411 V N 5.686 125.355 119.914 -0.408 0.000 2.686 411 V HA 0.411 4.532 4.120 0.002 0.000 0.306 411 V C -0.472 175.499 176.094 -0.205 0.000 1.065 411 V CA -0.771 61.309 62.300 -0.366 0.000 0.894 411 V CB 2.197 33.580 31.823 -0.734 0.000 1.004 411 V HN 0.662 nan 8.190 nan 0.000 0.424 412 L N 4.283 125.456 121.223 -0.084 0.000 2.307 412 L HA 0.717 5.058 4.340 0.002 0.000 0.284 412 L C -0.657 176.241 176.870 0.046 0.000 1.023 412 L CA -0.294 54.534 54.840 -0.021 0.000 0.810 412 L CB 1.040 43.072 42.059 -0.045 0.000 1.231 412 L HN 0.296 nan 8.230 nan 0.000 0.423 413 L N 3.493 124.753 121.223 0.062 0.000 2.455 413 L HA 0.163 4.504 4.340 0.002 0.000 0.272 413 L C 0.974 177.865 176.870 0.036 0.000 1.174 413 L CA 0.494 55.376 54.840 0.070 0.000 0.869 413 L CB 0.117 42.215 42.059 0.065 0.000 1.130 413 L HN 0.716 nan 8.230 nan 0.000 0.474 414 D N 1.729 122.149 120.400 0.034 0.000 2.392 414 D HA -0.113 4.528 4.640 0.002 0.000 0.228 414 D C 1.877 178.175 176.300 -0.004 0.000 1.003 414 D CA 0.323 54.323 54.000 -0.001 0.000 0.917 414 D CB 0.152 40.947 40.800 -0.009 0.000 0.890 414 D HN 0.369 nan 8.370 nan 0.000 0.532 415 R N 1.299 121.804 120.500 0.008 0.000 2.094 415 R HA -0.114 4.227 4.340 0.002 0.000 0.239 415 R C 0.494 176.793 176.300 -0.002 0.000 1.137 415 R CA 1.122 57.224 56.100 0.004 0.000 0.943 415 R CB -0.230 30.076 30.300 0.009 0.000 0.850 415 R HN 0.012 nan 8.270 nan 0.000 0.433 416 E N 1.008 121.207 120.200 -0.001 0.000 2.398 416 E HA -0.042 4.310 4.350 0.002 0.000 0.263 416 E C 0.749 177.342 176.600 -0.012 0.000 1.046 416 E CA 0.042 56.440 56.400 -0.004 0.000 0.908 416 E CB 0.797 30.497 29.700 -0.001 0.000 0.963 416 E HN 0.288 nan 8.360 nan 0.000 0.431 417 E N 2.356 122.549 120.200 -0.011 0.000 2.021 417 E HA -0.020 4.331 4.350 0.002 0.000 0.191 417 E C 0.243 176.832 176.600 -0.018 0.000 0.971 417 E CA 0.964 57.354 56.400 -0.016 0.000 0.825 417 E CB 0.037 29.729 29.700 -0.012 0.000 0.788 417 E HN 0.360 nan 8.360 nan 0.000 0.460 418 R N 0.702 121.195 120.500 -0.012 0.000 2.294 418 R HA 0.494 4.835 4.340 0.002 0.000 0.319 418 R C -0.526 175.771 176.300 -0.005 0.000 0.984 418 R CA -0.567 55.527 56.100 -0.010 0.000 0.861 418 R CB 1.056 31.352 30.300 -0.006 0.000 1.104 418 R HN -0.044 nan 8.270 nan 0.000 0.451 419 I N 2.423 122.990 120.570 -0.005 0.000 2.336 419 I HA 0.115 4.286 4.170 0.002 0.000 0.292 419 I C 1.080 177.201 176.117 0.007 0.000 0.991 419 I CA 0.239 61.539 61.300 0.001 0.000 1.227 419 I CB 1.643 39.642 38.000 -0.002 0.000 1.366 419 I HN 0.732 nan 8.210 nan 0.000 0.466 420 T N 3.756 118.317 114.554 0.012 0.000 1.809 420 T HA -0.296 4.055 4.350 0.002 0.000 0.124 420 T C 0.195 174.905 174.700 0.018 0.000 1.995 420 T CA 1.948 64.058 62.100 0.016 0.000 0.991 420 T CB -0.664 68.218 68.868 0.022 0.000 0.854 420 T HN 0.829 nan 8.240 nan 0.000 0.377 421 D N 1.054 121.469 120.400 0.024 0.000 2.198 421 D HA 0.449 5.090 4.640 0.002 0.000 0.245 421 D C 0.562 176.882 176.300 0.033 0.000 1.079 421 D CA -0.698 53.318 54.000 0.028 0.000 0.854 421 D CB 0.834 41.654 40.800 0.032 0.000 1.148 421 D HN 0.124 nan 8.370 nan 0.000 0.456 422 L N 2.442 123.683 121.223 0.030 0.000 2.265 422 L HA 0.343 4.684 4.340 0.002 0.000 0.195 422 L C -1.873 175.026 176.870 0.048 0.000 1.083 422 L CA 0.173 55.031 54.840 0.029 0.000 0.798 422 L CB -1.321 40.745 42.059 0.011 0.000 0.989 422 L HN 0.449 nan 8.230 nan 0.000 0.472 423 P HA 0.069 nan 4.420 nan 0.000 0.266 423 P C 0.247 177.608 177.300 0.101 0.000 1.215 423 P CA 0.807 63.950 63.100 0.072 0.000 0.763 423 P CB 0.278 32.013 31.700 0.058 0.000 0.806 424 L N 2.057 123.368 121.223 0.146 0.000 2.667 424 L HA 0.057 4.398 4.340 0.002 0.000 0.232 424 L C 1.203 178.191 176.870 0.196 0.000 1.138 424 L CA 0.095 55.045 54.840 0.184 0.000 0.921 424 L CB -0.291 41.931 42.059 0.273 0.000 1.180 424 L HN 0.240 nan 8.230 nan 0.000 0.487 425 D N 0.829 121.347 120.400 0.196 0.000 2.170 425 D HA -0.238 4.403 4.640 0.002 0.000 0.193 425 D C 1.529 178.000 176.300 0.286 0.000 1.004 425 D CA 1.475 55.640 54.000 0.275 0.000 0.860 425 D CB -0.138 40.807 40.800 0.243 0.000 0.931 425 D HN 0.369 nan 8.370 nan 0.000 0.448 426 N N -0.046 118.751 118.700 0.161 0.000 2.415 426 N HA 0.005 4.746 4.740 0.002 0.000 0.176 426 N C 1.926 177.414 175.510 -0.036 0.000 1.042 426 N CA 0.799 53.870 53.050 0.036 0.000 0.902 426 N CB 0.040 38.548 38.487 0.036 0.000 0.986 426 N HN 0.238 nan 8.380 nan 0.000 0.447 427 G N 1.425 110.237 108.800 0.020 0.000 2.404 427 G HA2 -0.132 3.829 3.960 0.002 0.000 0.214 427 G HA3 -0.132 3.829 3.960 0.002 0.000 0.214 427 G C 1.688 176.564 174.900 -0.041 0.000 1.189 427 G CA 0.458 45.559 45.100 0.002 0.000 0.789 427 G HN 0.091 nan 8.290 nan 0.000 0.533 428 V N 1.053 120.967 119.914 -0.000 0.000 2.278 428 V HA -0.283 3.838 4.120 0.002 0.000 0.251 428 V C 2.820 178.798 176.094 -0.193 0.000 1.062 428 V CA 2.421 64.651 62.300 -0.116 0.000 1.038 428 V CB -0.549 31.217 31.823 -0.095 0.000 0.646 428 V HN 0.401 nan 8.190 nan 0.000 0.447 429 R N 0.493 120.875 120.500 -0.196 0.000 2.083 429 R HA -0.187 4.154 4.340 0.002 0.000 0.237 429 R C 2.551 178.580 176.300 -0.451 0.000 1.137 429 R CA 2.179 58.035 56.100 -0.407 0.000 0.951 429 R CB -0.365 29.526 30.300 -0.682 0.000 0.851 429 R HN 0.711 nan 8.270 nan 0.000 0.434 430 S N 0.714 116.212 115.700 -0.336 0.000 2.428 430 S HA -0.117 4.354 4.470 0.002 0.000 0.230 430 S C 1.973 176.416 174.600 -0.262 0.000 1.014 430 S CA 0.709 58.729 58.200 -0.301 0.000 0.957 430 S CB -0.365 62.700 63.200 -0.225 0.000 0.784 430 S HN 0.304 nan 8.310 nan 0.000 0.499 431 L N 2.214 123.289 121.223 -0.246 0.000 1.961 431 L HA 0.105 4.446 4.340 0.002 0.000 0.210 431 L C 2.168 178.870 176.870 -0.280 0.000 1.072 431 L CA 1.696 56.379 54.840 -0.262 0.000 0.749 431 L CB -1.194 40.691 42.059 -0.290 0.000 0.889 431 L HN 0.360 nan 8.230 nan 0.000 0.432 432 L N -0.925 120.109 121.223 -0.314 0.000 2.261 432 L HA -0.212 4.129 4.340 0.002 0.000 0.216 432 L C 2.436 179.181 176.870 -0.209 0.000 1.114 432 L CA 1.115 55.782 54.840 -0.289 0.000 0.777 432 L CB -0.407 41.475 42.059 -0.294 0.000 0.910 432 L HN 0.354 nan 8.230 nan 0.000 0.440 433 I N -0.993 119.418 120.570 -0.264 0.000 2.585 433 I HA -0.052 4.119 4.170 0.002 0.000 0.254 433 I C 2.522 178.535 176.117 -0.174 0.000 1.129 433 I CA 0.948 62.098 61.300 -0.251 0.000 1.455 433 I CB -0.445 37.302 38.000 -0.421 0.000 1.111 433 I HN 0.177 nan 8.210 nan 0.000 0.433 434 G N 0.264 108.958 108.800 -0.176 0.000 2.395 434 G HA2 -0.149 3.812 3.960 0.002 0.000 0.214 434 G HA3 -0.149 3.812 3.960 0.002 0.000 0.214 434 G C 0.744 175.588 174.900 -0.095 0.000 1.177 434 G CA 0.181 45.202 45.100 -0.133 0.000 0.794 434 G HN 0.404 nan 8.290 nan 0.000 0.532 435 C N 2.448 121.686 119.300 -0.104 0.000 2.365 435 C HA 0.328 4.789 4.460 0.002 0.000 0.412 435 C C 1.584 176.543 174.990 -0.051 0.000 1.023 435 C CA -0.856 58.124 59.018 -0.063 0.000 1.287 435 C CB -1.133 26.564 27.740 -0.071 0.000 1.675 435 C HN 0.601 nan 8.230 nan 0.000 0.520 436 K N 0.720 121.100 120.400 -0.032 0.000 2.404 436 K HA 0.075 4.396 4.320 0.002 0.000 0.194 436 K C 1.191 177.795 176.600 0.006 0.000 1.023 436 K CA 0.355 56.631 56.287 -0.020 0.000 1.094 436 K CB 0.211 32.700 32.500 -0.018 0.000 0.841 436 K HN 0.495 nan 8.250 nan 0.000 0.523 437 K N 0.794 121.206 120.400 0.020 0.000 2.426 437 K HA 0.107 4.428 4.320 0.002 0.000 0.193 437 K C 0.118 176.758 176.600 0.066 0.000 1.028 437 K CA -0.268 56.044 56.287 0.043 0.000 1.047 437 K CB 0.091 32.621 32.500 0.050 0.000 0.821 437 K HN 0.043 nan 8.250 nan 0.000 0.513 438 L N 1.352 122.612 121.223 0.061 0.000 2.540 438 L HA -0.091 4.250 4.340 0.002 0.000 0.276 438 L C 0.986 177.926 176.870 0.116 0.000 1.212 438 L CA 1.011 55.911 54.840 0.101 0.000 0.893 438 L CB 0.380 42.479 42.059 0.068 0.000 1.138 438 L HN 0.035 nan 8.230 nan 0.000 0.491 439 R N 2.696 123.299 120.500 0.173 0.000 2.492 439 R HA 0.304 4.645 4.340 0.002 0.000 0.219 439 R C -0.242 176.225 176.300 0.279 0.000 0.886 439 R CA -0.254 55.958 56.100 0.188 0.000 1.003 439 R CB 0.583 30.982 30.300 0.164 0.000 1.345 439 R HN 0.496 nan 8.270 nan 0.000 0.631 440 R N 0.496 121.206 120.500 0.350 0.000 2.561 440 R HA 0.387 4.728 4.340 0.002 0.000 0.297 440 R C -1.690 174.901 176.300 0.484 0.000 0.969 440 R CA -0.597 55.822 56.100 0.533 0.000 0.879 440 R CB 2.221 32.902 30.300 0.636 0.000 1.178 440 R HN -0.129 nan 8.270 nan 0.000 0.445 441 F N 1.634 121.648 119.950 0.106 0.000 2.607 441 F HA 0.640 5.169 4.527 0.002 0.000 0.322 441 F C -1.616 174.042 175.800 -0.237 0.000 1.176 441 F CA -0.464 57.549 58.000 0.021 0.000 0.977 441 F CB 1.776 40.804 39.000 0.045 0.000 1.242 441 F HN 0.646 nan 8.300 nan 0.000 0.465 442 A N 5.484 127.839 122.820 -0.775 0.000 2.356 442 A HA 0.806 5.127 4.320 0.002 0.000 0.310 442 A C -2.208 175.031 177.584 -0.574 0.000 1.075 442 A CA -0.454 51.183 52.037 -0.667 0.000 0.746 442 A CB 0.853 19.642 19.000 -0.352 0.000 1.221 442 A HN 0.694 nan 8.150 nan 0.000 0.443 443 F N 2.540 122.145 119.950 -0.575 0.000 2.949 443 F HA 0.411 4.939 4.527 0.002 0.000 0.376 443 F C -1.430 174.313 175.800 -0.094 0.000 1.205 443 F CA -0.600 57.200 58.000 -0.334 0.000 1.155 443 F CB 1.070 39.899 39.000 -0.285 0.000 1.495 443 F HN 0.594 nan 8.300 nan 0.000 0.551 444 Y N 6.166 126.245 120.300 -0.369 0.000 2.328 444 Y HA 0.736 5.287 4.550 0.002 0.000 0.336 444 Y C -1.146 174.605 175.900 -0.249 0.000 0.960 444 Y CA -0.531 57.426 58.100 -0.239 0.000 1.134 444 Y CB 0.949 39.285 38.460 -0.208 0.000 1.166 444 Y HN 0.468 nan 8.280 nan 0.000 0.464 445 L N 4.134 125.283 121.223 -0.122 0.000 2.426 445 L HA 0.638 4.979 4.340 0.002 0.000 0.260 445 L C -0.534 176.338 176.870 0.003 0.000 1.233 445 L CA -1.430 53.363 54.840 -0.078 0.000 1.267 445 L CB 1.442 43.409 42.059 -0.154 0.000 1.814 445 L HN 0.460 nan 8.230 nan 0.000 0.561 446 R N -0.531 119.913 120.500 -0.094 0.000 2.875 446 R HA 0.230 4.571 4.340 0.002 0.000 0.251 446 R C 0.594 176.773 176.300 -0.202 0.000 1.123 446 R CA -0.553 55.396 56.100 -0.251 0.000 1.064 446 R CB 1.362 31.551 30.300 -0.184 0.000 1.205 446 R HN 0.436 nan 8.270 nan 0.000 0.503 447 Q N 0.947 120.576 119.800 -0.284 0.000 2.014 447 Q HA -0.086 4.255 4.340 0.002 0.000 0.207 447 Q C 1.413 177.372 176.000 -0.067 0.000 0.993 447 Q CA 2.429 58.145 55.803 -0.145 0.000 0.850 447 Q CB -0.809 27.837 28.738 -0.153 0.000 0.916 447 Q HN 0.900 nan 8.270 nan 0.000 0.417 448 G N -0.546 108.214 108.800 -0.067 0.000 3.094 448 G HA2 0.049 4.010 3.960 0.002 0.000 0.208 448 G HA3 0.049 4.010 3.960 0.002 0.000 0.208 448 G C 1.150 176.045 174.900 -0.008 0.000 1.189 448 G CA 0.561 45.642 45.100 -0.032 0.000 0.856 448 G HN 0.470 nan 8.290 nan 0.000 0.510 449 G N -0.288 108.508 108.800 -0.006 0.000 2.421 449 G HA2 0.219 4.180 3.960 0.002 0.000 0.217 449 G HA3 0.219 4.180 3.960 0.002 0.000 0.217 449 G C 0.254 175.202 174.900 0.080 0.000 1.143 449 G CA 0.424 45.535 45.100 0.020 0.000 0.784 449 G HN 0.409 nan 8.290 nan 0.000 0.541 450 L N 0.263 121.537 121.223 0.085 0.000 2.472 450 L HA 0.549 4.890 4.340 0.002 0.000 0.260 450 L C 0.012 176.928 176.870 0.076 0.000 0.963 450 L CA -0.520 54.394 54.840 0.123 0.000 0.829 450 L CB 2.407 44.589 42.059 0.206 0.000 1.348 450 L HN 0.113 nan 8.230 nan 0.000 0.408 451 T N -1.554 113.038 114.554 0.063 0.000 2.927 451 T HA 0.329 4.680 4.350 0.002 0.000 0.281 451 T C 0.509 175.224 174.700 0.024 0.000 0.998 451 T CA -0.493 61.626 62.100 0.032 0.000 1.019 451 T CB 1.039 69.915 68.868 0.014 0.000 1.061 451 T HN 0.584 nan 8.240 nan 0.000 0.518 452 D N 0.289 120.704 120.400 0.025 0.000 2.228 452 D HA -0.105 4.536 4.640 0.002 0.000 0.203 452 D C 1.785 178.057 176.300 -0.048 0.000 0.988 452 D CA 0.592 54.608 54.000 0.027 0.000 0.864 452 D CB -0.136 40.685 40.800 0.035 0.000 0.928 452 D HN 0.418 nan 8.370 nan 0.000 0.469 453 L N 0.410 121.568 121.223 -0.108 0.000 2.023 453 L HA -0.003 4.338 4.340 0.002 0.000 0.205 453 L C 2.161 178.727 176.870 -0.506 0.000 1.073 453 L CA 1.889 56.562 54.840 -0.279 0.000 0.745 453 L CB -1.045 40.873 42.059 -0.235 0.000 0.900 453 L HN 0.092 nan 8.230 nan 0.000 0.435 454 G N 0.191 108.833 108.800 -0.263 0.000 2.422 454 G HA2 -0.269 3.692 3.960 0.002 0.000 0.218 454 G HA3 -0.269 3.692 3.960 0.002 0.000 0.218 454 G C 1.698 176.622 174.900 0.040 0.000 1.146 454 G CA 0.756 45.812 45.100 -0.073 0.000 0.769 454 G HN 0.395 nan 8.290 nan 0.000 0.547 455 L N 1.326 122.570 121.223 0.036 0.000 2.017 455 L HA -0.127 4.214 4.340 0.002 0.000 0.208 455 L C 3.250 180.212 176.870 0.152 0.000 1.073 455 L CA 1.906 56.805 54.840 0.098 0.000 0.745 455 L CB -0.288 41.823 42.059 0.087 0.000 0.894 455 L HN 0.460 nan 8.230 nan 0.000 0.432 456 S N -1.660 114.068 115.700 0.046 0.000 2.474 456 S HA -0.199 4.273 4.470 0.002 0.000 0.235 456 S C 1.830 176.485 174.600 0.092 0.000 0.997 456 S CA 0.522 58.755 58.200 0.053 0.000 0.949 456 S CB -0.693 62.482 63.200 -0.041 0.000 0.766 456 S HN 0.521 nan 8.310 nan 0.000 0.517 457 Y N 1.513 121.867 120.300 0.090 0.000 2.145 457 Y HA -0.086 4.465 4.550 0.002 0.000 0.286 457 Y C 2.473 178.435 175.900 0.104 0.000 1.145 457 Y CA 1.186 59.366 58.100 0.133 0.000 1.148 457 Y CB -0.347 38.217 38.460 0.172 0.000 0.981 457 Y HN 0.255 nan 8.280 nan 0.000 0.507 458 I N -0.215 120.517 120.570 0.269 0.000 2.118 458 I HA -0.333 3.838 4.170 0.002 0.000 0.241 458 I C 2.723 178.904 176.117 0.106 0.000 1.070 458 I CA 1.624 63.014 61.300 0.148 0.000 1.327 458 I CB -1.084 37.038 38.000 0.204 0.000 1.034 458 I HN 0.285 nan 8.210 nan 0.000 0.405 459 G N -0.339 108.544 108.800 0.138 0.000 2.469 459 G HA2 -0.315 3.646 3.960 0.002 0.000 0.220 459 G HA3 -0.315 3.646 3.960 0.002 0.000 0.220 459 G C 1.602 176.376 174.900 -0.209 0.000 1.136 459 G CA 0.818 45.771 45.100 -0.244 0.000 0.759 459 G HN 0.451 nan 8.290 nan 0.000 0.562 460 Q N -1.074 118.625 119.800 -0.169 0.000 2.137 460 Q HA 0.023 4.364 4.340 0.002 0.000 0.198 460 Q C 1.171 176.894 176.000 -0.463 0.000 0.960 460 Q CA 0.723 56.314 55.803 -0.353 0.000 0.847 460 Q CB 0.031 28.495 28.738 -0.456 0.000 0.915 460 Q HN 0.672 nan 8.270 nan 0.000 0.448 461 Y N -0.297 119.964 120.300 -0.066 0.000 2.636 461 Y HA 0.211 4.762 4.550 0.002 0.000 0.260 461 Y C -0.004 175.810 175.900 -0.143 0.000 1.177 461 Y CA -0.476 57.559 58.100 -0.109 0.000 1.209 461 Y CB 1.124 39.500 38.460 -0.141 0.000 1.166 461 Y HN 0.006 nan 8.280 nan 0.000 0.531 462 S N -0.128 115.544 115.700 -0.047 0.000 2.150 462 S HA 0.287 4.758 4.470 0.002 0.000 0.171 462 S C -2.234 172.331 174.600 -0.059 0.000 1.620 462 S CA -1.309 56.842 58.200 -0.082 0.000 1.190 462 S CB 0.979 64.094 63.200 -0.141 0.000 1.102 462 S HN 0.041 nan 8.310 nan 0.000 0.464 463 P HA 0.102 nan 4.420 nan 0.000 0.230 463 P C 0.386 177.684 177.300 -0.003 0.000 1.168 463 P CA 0.599 63.682 63.100 -0.029 0.000 0.793 463 P CB 0.201 31.889 31.700 -0.020 0.000 0.851 464 N N -0.600 118.107 118.700 0.011 0.000 2.294 464 N HA 0.055 4.796 4.740 0.002 0.000 0.186 464 N C 0.292 175.844 175.510 0.069 0.000 1.107 464 N CA 0.133 53.206 53.050 0.039 0.000 0.884 464 N CB 0.392 38.903 38.487 0.041 0.000 1.030 464 N HN -0.028 nan 8.380 nan 0.000 0.482 465 V N 2.022 121.975 119.914 0.064 0.000 2.540 465 V HA 0.011 4.132 4.120 0.002 0.000 0.297 465 V C 1.364 177.543 176.094 0.143 0.000 1.024 465 V CA 0.555 62.926 62.300 0.118 0.000 1.105 465 V CB 0.905 32.787 31.823 0.099 0.000 0.938 465 V HN 0.126 nan 8.190 nan 0.000 0.482 466 R N 2.552 123.175 120.500 0.206 0.000 2.279 466 R HA 0.167 4.508 4.340 0.002 0.000 0.195 466 R C -0.150 176.348 176.300 0.330 0.000 0.905 466 R CA -0.037 56.197 56.100 0.224 0.000 1.044 466 R CB 0.661 31.079 30.300 0.196 0.000 1.056 466 R HN 0.732 nan 8.270 nan 0.000 0.535 467 W N 1.013 122.407 121.300 0.157 0.000 2.883 467 W HA 0.576 5.237 4.660 0.002 0.000 0.335 467 W C -1.680 174.973 176.519 0.224 0.000 1.083 467 W CA -0.796 56.651 57.345 0.171 0.000 1.233 467 W CB 1.188 30.723 29.460 0.125 0.000 1.412 467 W HN -0.265 nan 8.180 nan 0.000 0.490 468 M N 7.023 126.262 119.600 -0.600 0.000 2.326 468 M HA 0.337 4.818 4.480 0.002 0.000 0.292 468 M C -1.632 174.207 176.300 -0.768 0.000 1.081 468 M CA -1.128 53.769 55.300 -0.672 0.000 0.919 468 M CB 2.016 34.600 32.600 -0.026 0.000 1.634 468 M HN 0.383 nan 8.290 nan 0.000 0.451 469 L N 5.366 126.071 121.223 -0.864 0.000 2.287 469 L HA 0.709 5.050 4.340 0.002 0.000 0.287 469 L C -1.870 174.895 176.870 -0.174 0.000 1.022 469 L CA -0.234 54.404 54.840 -0.337 0.000 0.814 469 L CB 1.102 43.040 42.059 -0.202 0.000 1.217 469 L HN 0.665 nan 8.230 nan 0.000 0.420 470 L N 5.579 126.768 121.223 -0.057 0.000 2.356 470 L HA 0.643 4.984 4.340 0.002 0.000 0.277 470 L C 0.902 177.694 176.870 -0.131 0.000 0.996 470 L CA -0.530 54.284 54.840 -0.044 0.000 0.822 470 L CB 1.704 43.730 42.059 -0.056 0.000 1.256 470 L HN 0.782 nan 8.230 nan 0.000 0.413 471 G N 1.079 109.742 108.800 -0.228 0.000 3.107 471 G HA2 -0.045 3.916 3.960 0.002 0.000 0.155 471 G HA3 -0.045 3.916 3.960 0.002 0.000 0.155 471 G C -0.210 174.313 174.900 -0.629 0.000 1.875 471 G CA 0.149 44.797 45.100 -0.753 0.000 1.004 471 G HN 0.519 nan 8.290 nan 0.000 0.480 472 Y N 0.907 120.913 120.300 -0.489 0.000 2.933 472 Y HA 0.364 4.915 4.550 0.002 0.000 0.380 472 Y C 0.952 176.730 175.900 -0.204 0.000 1.056 472 Y CA -0.764 57.140 58.100 -0.326 0.000 1.704 472 Y CB -0.023 38.263 38.460 -0.289 0.000 1.558 472 Y HN 0.239 nan 8.280 nan 0.000 0.501 473 V N -1.224 118.661 119.914 -0.049 0.000 2.785 473 V HA 0.959 5.080 4.120 0.002 0.000 0.300 473 V C 0.565 176.668 176.094 0.016 0.000 1.062 473 V CA 0.051 62.375 62.300 0.040 0.000 1.029 473 V CB 0.873 32.768 31.823 0.119 0.000 1.024 473 V HN 0.621 nan 8.190 nan 0.000 0.477 474 G N 3.470 112.308 108.800 0.064 0.000 2.710 474 G HA2 -0.090 3.871 3.960 0.002 0.000 0.668 474 G HA3 -0.090 3.871 3.960 0.002 0.000 0.668 474 G C -0.282 174.596 174.900 -0.036 0.000 1.320 474 G CA 0.258 45.404 45.100 0.077 0.000 0.860 474 G HN 1.009 nan 8.290 nan 0.000 0.538 475 E N -0.958 119.237 120.200 -0.008 0.000 2.502 475 E HA 0.313 4.664 4.350 0.002 0.000 0.206 475 E C 0.979 177.557 176.600 -0.037 0.000 0.821 475 E CA 0.570 56.946 56.400 -0.039 0.000 1.354 475 E CB 1.057 30.754 29.700 -0.005 0.000 1.336 475 E HN 1.128 nan 8.360 nan 0.000 0.675 476 S N 0.056 115.790 115.700 0.058 0.000 2.671 476 S HA 0.215 4.686 4.470 0.002 0.000 0.277 476 S C -0.478 174.296 174.600 0.290 0.000 1.165 476 S CA -0.675 57.588 58.200 0.106 0.000 0.822 476 S CB 1.498 64.739 63.200 0.068 0.000 1.150 476 S HN -0.154 nan 8.310 nan 0.000 0.479 477 D N 0.969 121.535 120.400 0.277 0.000 2.393 477 D HA -0.045 4.596 4.640 0.002 0.000 0.220 477 D C 1.468 177.841 176.300 0.121 0.000 0.974 477 D CA 0.949 55.106 54.000 0.262 0.000 0.931 477 D CB -0.035 40.859 40.800 0.156 0.000 0.889 477 D HN 0.538 nan 8.370 nan 0.000 0.512 478 E N 0.201 120.470 120.200 0.114 0.000 2.047 478 E HA -0.087 4.264 4.350 0.002 0.000 0.191 478 E C 2.331 178.964 176.600 0.055 0.000 0.987 478 E CA 1.128 57.565 56.400 0.061 0.000 0.799 478 E CB -0.402 29.327 29.700 0.048 0.000 0.752 478 E HN 0.410 nan 8.360 nan 0.000 0.449 479 G N 1.349 110.213 108.800 0.107 0.000 2.422 479 G HA2 -0.216 3.745 3.960 0.002 0.000 0.218 479 G HA3 -0.216 3.745 3.960 0.002 0.000 0.218 479 G C 1.609 176.525 174.900 0.026 0.000 1.140 479 G CA 0.486 45.644 45.100 0.096 0.000 0.775 479 G HN 0.160 nan 8.290 nan 0.000 0.545 480 L N 0.214 121.347 121.223 -0.150 0.000 2.027 480 L HA 0.172 4.513 4.340 0.002 0.000 0.206 480 L C 2.645 179.455 176.870 -0.099 0.000 1.074 480 L CA 1.717 56.301 54.840 -0.426 0.000 0.745 480 L CB -0.346 41.065 42.059 -1.081 0.000 0.898 480 L HN 0.214 nan 8.230 nan 0.000 0.433 481 M N -1.155 118.401 119.600 -0.073 0.000 2.159 481 M HA -0.170 4.311 4.480 0.002 0.000 0.263 481 M C 2.020 178.316 176.300 -0.006 0.000 1.063 481 M CA 1.568 56.849 55.300 -0.031 0.000 1.110 481 M CB -0.265 32.319 32.600 -0.026 0.000 1.374 481 M HN 0.305 nan 8.290 nan 0.000 0.411 482 E N -0.066 120.142 120.200 0.013 0.000 2.077 482 E HA -0.208 4.143 4.350 0.002 0.000 0.193 482 E C 1.729 178.345 176.600 0.028 0.000 0.989 482 E CA 1.289 57.694 56.400 0.009 0.000 0.800 482 E CB -0.714 28.989 29.700 0.007 0.000 0.746 482 E HN 0.602 nan 8.360 nan 0.000 0.452 483 F N 2.094 121.992 119.950 -0.086 0.000 2.126 483 F HA -0.241 4.287 4.527 0.002 0.000 0.299 483 F C 2.492 178.243 175.800 -0.081 0.000 1.096 483 F CA 1.969 59.922 58.000 -0.079 0.000 1.255 483 F CB -0.360 38.589 39.000 -0.085 0.000 0.997 483 F HN 0.009 nan 8.300 nan 0.000 0.479 484 S N 1.346 116.991 115.700 -0.092 0.000 2.447 484 S HA -0.216 4.255 4.470 0.002 0.000 0.233 484 S C 1.961 176.434 174.600 -0.211 0.000 1.006 484 S CA 0.774 58.861 58.200 -0.189 0.000 0.957 484 S CB -0.904 62.269 63.200 -0.045 0.000 0.773 484 S HN 0.714 nan 8.310 nan 0.000 0.507 485 R N 0.852 121.250 120.500 -0.171 0.000 2.313 485 R HA 0.306 4.647 4.340 0.002 0.000 0.199 485 R C 1.217 177.408 176.300 -0.181 0.000 0.958 485 R CA 0.564 56.578 56.100 -0.145 0.000 1.047 485 R CB -0.456 29.783 30.300 -0.102 0.000 0.955 485 R HN 0.408 nan 8.270 nan 0.000 0.481 486 G N 0.372 109.007 108.800 -0.274 0.000 3.134 486 G HA2 0.233 4.194 3.960 0.002 0.000 0.158 486 G HA3 0.233 4.194 3.960 0.002 0.000 0.158 486 G C -0.595 174.121 174.900 -0.307 0.000 1.334 486 G CA -0.153 44.777 45.100 -0.283 0.000 1.001 486 G HN 0.320 nan 8.290 nan 0.000 0.600 487 C N 0.958 120.064 119.300 -0.322 0.000 3.004 487 C HA -0.084 4.377 4.460 0.002 0.000 0.267 487 C C -0.892 174.014 174.990 -0.141 0.000 1.211 487 C CA -0.173 58.694 59.018 -0.252 0.000 2.485 487 C CB -1.700 25.811 27.740 -0.382 0.000 1.539 487 C HN 0.525 nan 8.230 nan 0.000 0.462 488 P HA -0.090 nan 4.420 nan 0.000 0.217 488 P C 0.787 178.076 177.300 -0.019 0.000 1.150 488 P CA 1.650 64.715 63.100 -0.058 0.000 0.832 488 P CB 0.059 31.730 31.700 -0.049 0.000 0.787 489 N N -1.612 117.088 118.700 -0.000 0.000 2.200 489 N HA 0.146 4.887 4.740 0.002 0.000 0.224 489 N C -0.170 175.386 175.510 0.077 0.000 1.179 489 N CA -0.315 52.759 53.050 0.041 0.000 0.877 489 N CB 0.306 38.821 38.487 0.047 0.000 1.072 489 N HN 0.043 nan 8.380 nan 0.000 0.519 490 L N 1.810 123.072 121.223 0.065 0.000 2.477 490 L HA -0.003 4.338 4.340 0.002 0.000 0.272 490 L C 0.874 177.843 176.870 0.164 0.000 1.157 490 L CA 0.743 55.655 54.840 0.119 0.000 0.889 490 L CB 0.842 42.955 42.059 0.091 0.000 1.158 490 L HN 0.323 nan 8.230 nan 0.000 0.473 491 Q N 3.158 123.090 119.800 0.218 0.000 2.481 491 Q HA 0.089 4.430 4.340 0.002 0.000 0.219 491 Q C 0.080 176.283 176.000 0.338 0.000 0.920 491 Q CA 0.410 56.368 55.803 0.258 0.000 0.915 491 Q CB 0.764 29.640 28.738 0.229 0.000 1.057 491 Q HN 0.459 nan 8.270 nan 0.000 0.581 492 K N 0.931 121.551 120.400 0.368 0.000 2.376 492 K HA 0.452 4.773 4.320 0.002 0.000 0.257 492 K C -1.918 174.965 176.600 0.470 0.000 0.939 492 K CA -0.526 56.045 56.287 0.473 0.000 0.809 492 K CB 1.390 34.135 32.500 0.407 0.000 1.121 492 K HN -0.070 nan 8.250 nan 0.000 0.425 493 L N 3.591 125.094 121.223 0.467 0.000 2.376 493 L HA 0.434 4.775 4.340 0.002 0.000 0.275 493 L C -1.571 175.528 176.870 0.382 0.000 0.987 493 L CA 0.025 55.067 54.840 0.337 0.000 0.828 493 L CB 1.810 44.036 42.059 0.279 0.000 1.249 493 L HN 0.705 nan 8.230 nan 0.000 0.409 494 E N 6.348 126.750 120.200 0.337 0.000 2.199 494 E HA 0.679 5.030 4.350 0.002 0.000 0.265 494 E C -1.362 175.390 176.600 0.253 0.000 0.882 494 E CA -0.502 56.177 56.400 0.465 0.000 0.759 494 E CB 1.997 32.067 29.700 0.616 0.000 1.148 494 E HN 0.561 nan 8.360 nan 0.000 0.412 495 M N 2.880 122.577 119.600 0.161 0.000 2.271 495 M HA 0.493 4.974 4.480 0.002 0.000 0.285 495 M C -0.734 175.521 176.300 -0.076 0.000 1.059 495 M CA -0.864 54.447 55.300 0.017 0.000 0.940 495 M CB 2.347 34.936 32.600 -0.019 0.000 1.636 495 M HN 0.397 nan 8.290 nan 0.000 0.460 496 R N 1.011 121.455 120.500 -0.094 0.000 2.795 496 R HA 0.856 5.197 4.340 0.002 0.000 0.275 496 R C 0.033 176.049 176.300 -0.473 0.000 0.981 496 R CA -0.156 55.841 56.100 -0.171 0.000 0.917 496 R CB 2.053 32.374 30.300 0.035 0.000 1.202 496 R HN 1.012 nan 8.270 nan 0.000 0.469 497 G N 1.112 109.619 108.800 -0.489 0.000 2.291 497 G HA2 -0.211 3.750 3.960 0.002 0.000 0.271 497 G HA3 -0.211 3.750 3.960 0.002 0.000 0.271 497 G C -0.490 173.967 174.900 -0.739 0.000 1.099 497 G CA 0.032 44.584 45.100 -0.914 0.000 0.919 497 G HN 0.646 nan 8.290 nan 0.000 0.496 498 C N -0.693 118.392 119.300 -0.359 0.000 2.529 498 C HA 0.646 5.107 4.460 0.002 0.000 0.329 498 C C 1.933 176.732 174.990 -0.318 0.000 1.194 498 C CA -0.075 58.725 59.018 -0.364 0.000 1.779 498 C CB 1.272 28.877 27.740 -0.225 0.000 2.322 498 C HN 1.116 nan 8.230 nan 0.000 0.500 499 C N -0.894 118.070 119.300 -0.560 0.000 2.693 499 C HA 0.432 4.893 4.460 0.002 0.000 0.286 499 C C 0.331 175.150 174.990 -0.285 0.000 1.277 499 C CA -0.604 58.195 59.018 -0.365 0.000 1.705 499 C CB -2.478 25.065 27.740 -0.328 0.000 1.879 499 C HN 0.655 nan 8.230 nan 0.000 0.607 500 F N 2.712 122.665 119.950 0.006 0.000 2.382 500 F HA 0.447 4.975 4.527 0.002 0.000 0.331 500 F C 1.255 177.091 175.800 0.059 0.000 1.121 500 F CA -0.175 57.836 58.000 0.018 0.000 1.183 500 F CB 0.842 39.841 39.000 -0.001 0.000 1.207 500 F HN 0.229 nan 8.300 nan 0.000 0.555 501 S N 0.527 116.386 115.700 0.266 0.000 2.730 501 S HA 0.267 4.738 4.470 0.002 0.000 0.284 501 S C 0.760 175.482 174.600 0.204 0.000 1.153 501 S CA -0.768 57.542 58.200 0.183 0.000 0.995 501 S CB 1.423 64.693 63.200 0.117 0.000 1.058 501 S HN 0.741 nan 8.310 nan 0.000 0.552 502 E N 0.916 121.240 120.200 0.207 0.000 2.023 502 E HA -0.208 4.143 4.350 0.002 0.000 0.196 502 E C 2.272 178.932 176.600 0.101 0.000 1.003 502 E CA 1.399 57.915 56.400 0.194 0.000 0.809 502 E CB -0.222 29.592 29.700 0.190 0.000 0.755 502 E HN 0.681 nan 8.360 nan 0.000 0.449 503 R N 1.276 121.822 120.500 0.077 0.000 2.189 503 R HA 0.013 4.354 4.340 0.002 0.000 0.218 503 R C 1.864 178.184 176.300 0.034 0.000 1.074 503 R CA 1.233 57.360 56.100 0.046 0.000 0.991 503 R CB -0.301 30.021 30.300 0.036 0.000 0.883 503 R HN 0.106 nan 8.270 nan 0.000 0.457 504 A N 2.340 125.190 122.820 0.051 0.000 1.855 504 A HA -0.043 4.278 4.320 0.002 0.000 0.215 504 A C 2.348 179.921 177.584 -0.018 0.000 1.191 504 A CA 1.271 53.325 52.037 0.028 0.000 0.613 504 A CB -0.301 18.748 19.000 0.082 0.000 0.829 504 A HN 0.229 nan 8.150 nan 0.000 0.442 505 I N 0.090 120.661 120.570 0.002 0.000 2.099 505 I HA -0.278 3.893 4.170 0.002 0.000 0.239 505 I C 3.040 179.144 176.117 -0.022 0.000 1.066 505 I CA 1.628 62.910 61.300 -0.029 0.000 1.324 505 I CB -1.730 36.255 38.000 -0.024 0.000 1.037 505 I HN 0.368 nan 8.210 nan 0.000 0.401 506 A N 1.090 123.909 122.820 -0.002 0.000 1.927 506 A HA -0.245 4.076 4.320 0.002 0.000 0.220 506 A C 2.535 180.099 177.584 -0.035 0.000 1.185 506 A CA 2.755 54.788 52.037 -0.007 0.000 0.639 506 A CB -0.922 18.084 19.000 0.010 0.000 0.820 506 A HN 0.506 nan 8.150 nan 0.000 0.451 507 A N -0.751 122.052 122.820 -0.029 0.000 1.929 507 A HA 0.284 4.605 4.320 0.002 0.000 0.216 507 A C 2.455 180.007 177.584 -0.053 0.000 1.176 507 A CA 1.784 53.797 52.037 -0.039 0.000 0.628 507 A CB -0.843 18.141 19.000 -0.026 0.000 0.816 507 A HN 1.095 nan 8.150 nan 0.000 0.444 508 A N -0.614 122.175 122.820 -0.052 0.000 1.968 508 A HA 0.074 4.395 4.320 0.002 0.000 0.217 508 A C 2.144 179.698 177.584 -0.050 0.000 1.169 508 A CA 1.497 53.505 52.037 -0.048 0.000 0.638 508 A CB -0.725 18.245 19.000 -0.049 0.000 0.812 508 A HN 0.324 nan 8.150 nan 0.000 0.446 509 V N 0.345 120.221 119.914 -0.063 0.000 2.407 509 V HA -0.216 3.905 4.120 0.002 0.000 0.248 509 V C 2.706 178.694 176.094 -0.177 0.000 1.055 509 V CA 2.424 64.659 62.300 -0.109 0.000 1.049 509 V CB -1.060 30.683 31.823 -0.135 0.000 0.662 509 V HN 0.693 nan 8.190 nan 0.000 0.455 510 T N -1.126 113.334 114.554 -0.156 0.000 2.951 510 T HA -0.125 4.226 4.350 0.002 0.000 0.268 510 T C 1.797 176.433 174.700 -0.107 0.000 1.073 510 T CA 0.847 62.855 62.100 -0.153 0.000 1.134 510 T CB -0.127 68.669 68.868 -0.119 0.000 0.884 510 T HN 0.429 nan 8.240 nan 0.000 0.479 511 K N 0.353 120.700 120.400 -0.089 0.000 2.366 511 K HA 0.195 4.516 4.320 0.002 0.000 0.198 511 K C 0.318 176.868 176.600 -0.084 0.000 1.044 511 K CA 0.196 56.436 56.287 -0.078 0.000 0.973 511 K CB -0.071 32.385 32.500 -0.074 0.000 0.767 511 K HN 0.334 nan 8.250 nan 0.000 0.475 512 L N 2.926 124.099 121.223 -0.083 0.000 2.313 512 L HA 0.081 4.422 4.340 0.002 0.000 0.282 512 L C -1.299 175.544 176.870 -0.044 0.000 1.092 512 L CA -1.426 53.371 54.840 -0.072 0.000 0.831 512 L CB 0.962 42.994 42.059 -0.044 0.000 1.159 512 L HN -0.019 nan 8.230 nan 0.000 0.442 513 P HA -0.061 nan 4.420 nan 0.000 0.217 513 P C 0.925 178.246 177.300 0.034 0.000 1.151 513 P CA 0.863 63.957 63.100 -0.010 0.000 0.828 513 P CB 0.535 32.222 31.700 -0.022 0.000 0.788 514 S N -1.172 114.561 115.700 0.055 0.000 2.540 514 S HA 0.149 4.620 4.470 0.002 0.000 0.222 514 S C 0.658 175.366 174.600 0.180 0.000 1.008 514 S CA -0.460 57.803 58.200 0.106 0.000 0.939 514 S CB -0.330 62.924 63.200 0.090 0.000 0.865 514 S HN -0.006 nan 8.310 nan 0.000 0.499 515 L N 3.747 125.071 121.223 0.168 0.000 2.559 515 L HA 0.092 4.433 4.340 0.002 0.000 0.274 515 L C 1.046 178.151 176.870 0.393 0.000 1.205 515 L CA 0.696 55.682 54.840 0.244 0.000 0.907 515 L CB 0.446 42.599 42.059 0.157 0.000 1.153 515 L HN 0.235 nan 8.230 nan 0.000 0.490 516 R N 3.048 123.863 120.500 0.524 0.000 2.521 516 R HA 0.226 4.567 4.340 0.002 0.000 0.289 516 R C -0.738 175.970 176.300 0.681 0.000 0.936 516 R CA -0.472 56.068 56.100 0.734 0.000 1.089 516 R CB 0.146 30.825 30.300 0.633 0.000 1.348 516 R HN 0.468 nan 8.270 nan 0.000 0.536 517 Y N 0.611 121.174 120.300 0.438 0.000 2.442 517 Y HA 0.566 5.117 4.550 0.001 0.000 0.330 517 Y C -2.202 173.900 175.900 0.337 0.000 1.100 517 Y CA -1.500 56.801 58.100 0.335 0.000 1.034 517 Y CB 2.214 40.847 38.460 0.289 0.000 1.285 517 Y HN 0.034 nan 8.280 nan 0.000 0.440 518 L N 7.547 128.809 121.223 0.065 0.000 2.516 518 L HA 0.528 4.869 4.340 0.002 0.000 0.267 518 L C -2.207 174.680 176.870 0.028 0.000 0.957 518 L CA -0.514 54.425 54.840 0.164 0.000 0.860 518 L CB 1.411 43.593 42.059 0.205 0.000 1.265 518 L HN 0.719 nan 8.230 nan 0.000 0.403 519 W N 7.426 128.719 121.300 -0.012 0.000 2.736 519 W HA 0.841 5.502 4.660 0.002 0.000 0.335 519 W C -2.240 174.265 176.519 -0.024 0.000 1.059 519 W CA -0.921 56.394 57.345 -0.051 0.000 1.226 519 W CB 1.815 31.275 29.460 0.000 0.000 1.416 519 W HN 0.377 nan 8.180 nan 0.000 0.505 520 V N 4.990 124.264 119.914 -1.068 0.000 2.711 520 V HA 0.255 4.376 4.120 0.002 0.000 0.304 520 V C -0.731 174.714 176.094 -1.082 0.000 1.097 520 V CA -0.678 61.046 62.300 -0.959 0.000 0.906 520 V CB 1.680 33.186 31.823 -0.529 0.000 1.015 520 V HN 0.637 nan 8.190 nan 0.000 0.427 521 Q N 2.308 121.624 119.800 -0.808 0.000 2.330 521 Q HA 0.647 4.988 4.340 0.002 0.000 0.269 521 Q C 0.025 175.990 176.000 -0.059 0.000 1.022 521 Q CA 0.139 55.735 55.803 -0.345 0.000 0.796 521 Q CB 2.005 30.599 28.738 -0.241 0.000 1.271 521 Q HN 1.426 nan 8.270 nan 0.000 0.450 522 G N 3.307 112.208 108.800 0.168 0.000 3.439 522 G HA2 -0.142 3.819 3.960 0.002 0.000 0.684 522 G HA3 -0.142 3.819 3.960 0.002 0.000 0.684 522 G C -1.466 173.580 174.900 0.243 0.000 1.005 522 G CA -0.077 45.105 45.100 0.136 0.000 0.837 522 G HN 0.851 nan 8.290 nan 0.000 0.470 523 Y N -1.300 118.964 120.300 -0.059 0.000 2.638 523 Y HA 0.698 5.249 4.550 0.001 0.000 0.334 523 Y C -0.282 175.607 175.900 -0.018 0.000 1.182 523 Y CA -2.122 55.958 58.100 -0.033 0.000 1.102 523 Y CB 0.680 39.130 38.460 -0.017 0.000 1.343 523 Y HN 0.589 nan 8.280 nan 0.000 0.463 524 R N 2.292 122.767 120.500 -0.042 0.000 2.413 524 R HA 0.554 4.895 4.340 0.002 0.000 0.333 524 R C 0.407 176.616 176.300 -0.152 0.000 1.074 524 R CA 0.484 56.520 56.100 -0.107 0.000 0.982 524 R CB 0.160 30.451 30.300 -0.014 0.000 0.981 524 R HN 0.833 nan 8.270 nan 0.000 0.452 525 A N 2.445 125.061 122.820 -0.341 0.000 2.372 525 A HA 0.515 4.836 4.320 0.002 0.000 0.271 525 A C -0.044 177.488 177.584 -0.087 0.000 1.470 525 A CA -0.190 51.684 52.037 -0.271 0.000 0.827 525 A CB 0.540 19.309 19.000 -0.386 0.000 1.405 525 A HN 0.685 nan 8.150 nan 0.000 0.536 526 S N -3.208 112.464 115.700 -0.045 0.000 2.556 526 S HA 0.357 4.828 4.470 0.002 0.000 0.280 526 S C 0.086 174.681 174.600 -0.010 0.000 1.141 526 S CA 0.018 58.206 58.200 -0.020 0.000 0.883 526 S CB 0.833 64.035 63.200 0.005 0.000 1.103 526 S HN 0.688 nan 8.310 nan 0.000 0.453 527 M N 2.549 122.142 119.600 -0.012 0.000 2.195 527 M HA -0.071 4.410 4.480 0.002 0.000 0.260 527 M C 1.940 178.243 176.300 0.005 0.000 1.066 527 M CA 2.547 57.843 55.300 -0.006 0.000 1.089 527 M CB -1.264 31.331 32.600 -0.007 0.000 1.377 527 M HN 0.958 nan 8.290 nan 0.000 0.411 528 T N -0.879 113.680 114.554 0.009 0.000 2.580 528 T HA -0.047 4.304 4.350 0.002 0.000 0.265 528 T C 1.743 176.457 174.700 0.023 0.000 1.063 528 T CA 1.855 63.964 62.100 0.014 0.000 1.170 528 T CB -1.240 67.638 68.868 0.016 0.000 0.863 528 T HN 0.657 nan 8.240 nan 0.000 0.418 529 G N 0.290 109.109 108.800 0.033 0.000 2.225 529 G HA2 -0.277 3.684 3.960 0.002 0.000 0.254 529 G HA3 -0.277 3.684 3.960 0.002 0.000 0.254 529 G C 0.850 175.779 174.900 0.049 0.000 0.988 529 G CA 0.427 45.558 45.100 0.051 0.000 0.625 529 G HN 0.471 nan 8.290 nan 0.000 0.527 530 Q N 0.395 120.217 119.800 0.036 0.000 2.482 530 Q HA 0.091 4.432 4.340 0.002 0.000 0.209 530 Q C 1.604 177.624 176.000 0.035 0.000 0.961 530 Q CA 1.342 57.163 55.803 0.031 0.000 0.945 530 Q CB -0.042 28.710 28.738 0.022 0.000 1.012 530 Q HN 0.701 nan 8.270 nan 0.000 0.515 531 D N 0.234 120.660 120.400 0.045 0.000 2.123 531 D HA -0.068 4.573 4.640 0.002 0.000 0.200 531 D C 1.752 178.082 176.300 0.050 0.000 0.976 531 D CA 0.507 54.535 54.000 0.047 0.000 0.831 531 D CB -0.001 40.834 40.800 0.059 0.000 0.974 531 D HN 0.136 nan 8.370 nan 0.000 0.469 532 L N 0.179 121.439 121.223 0.062 0.000 2.127 532 L HA -0.155 4.186 4.340 0.002 0.000 0.211 532 L C 2.022 178.922 176.870 0.049 0.000 1.089 532 L CA 0.545 55.418 54.840 0.055 0.000 0.757 532 L CB -0.229 41.862 42.059 0.054 0.000 0.899 532 L HN 0.144 nan 8.230 nan 0.000 0.434 533 M N -0.247 119.379 119.600 0.042 0.000 2.267 533 M HA -0.224 4.257 4.480 0.002 0.000 0.263 533 M C 1.942 178.261 176.300 0.031 0.000 1.063 533 M CA 1.416 56.739 55.300 0.038 0.000 1.090 533 M CB -0.917 31.701 32.600 0.029 0.000 1.392 533 M HN 0.450 nan 8.290 nan 0.000 0.422 534 Q N 0.362 120.175 119.800 0.022 0.000 2.307 534 Q HA -0.009 4.332 4.340 0.002 0.000 0.216 534 Q C 0.945 176.939 176.000 -0.010 0.000 0.931 534 Q CA 0.305 56.112 55.803 0.007 0.000 0.953 534 Q CB -0.550 28.191 28.738 0.004 0.000 1.006 534 Q HN 0.710 nan 8.270 nan 0.000 0.472 535 M N -3.265 116.335 119.600 0.000 0.000 2.410 535 M HA 0.525 5.006 4.480 0.002 0.000 0.376 535 M C -0.090 176.193 176.300 -0.028 0.000 1.051 535 M CA -0.467 54.801 55.300 -0.052 0.000 0.949 535 M CB 0.983 33.554 32.600 -0.048 0.000 1.577 535 M HN 0.059 nan 8.290 nan 0.000 0.560 536 A N 2.286 125.131 122.820 0.042 0.000 2.899 536 A HA 0.428 4.749 4.320 0.002 0.000 0.287 536 A C 0.075 177.695 177.584 0.060 0.000 1.715 536 A CA -0.236 51.858 52.037 0.094 0.000 1.393 536 A CB -0.444 18.596 19.000 0.066 0.000 1.070 536 A HN 0.658 nan 8.150 nan 0.000 0.587 537 R N 1.662 122.198 120.500 0.060 0.000 2.652 537 R HA 0.458 4.799 4.340 0.002 0.000 0.272 537 R C -2.444 173.954 176.300 0.164 0.000 1.162 537 R CA -1.307 54.848 56.100 0.090 0.000 1.199 537 R CB -0.262 30.089 30.300 0.086 0.000 1.166 537 R HN 0.359 nan 8.270 nan 0.000 0.597 538 P HA 0.168 nan 4.420 nan 0.000 0.282 538 P C -1.065 176.388 177.300 0.255 0.000 1.249 538 P CA -0.268 62.858 63.100 0.043 0.000 0.806 538 P CB 0.317 31.968 31.700 -0.081 0.000 0.984 539 Y N -2.654 117.805 120.300 0.265 0.000 4.907 539 Y HA -0.192 4.359 4.550 0.002 0.000 0.246 539 Y C -0.103 176.072 175.900 0.458 0.000 0.968 539 Y CA 0.389 58.694 58.100 0.342 0.000 1.961 539 Y CB -1.698 36.989 38.460 0.379 0.000 1.487 539 Y HN 0.504 nan 8.280 nan 0.000 0.575 540 W N 3.268 124.660 121.300 0.154 0.000 2.296 540 W HA 0.459 5.120 4.660 0.002 0.000 0.316 540 W C -0.751 175.661 176.519 -0.178 0.000 1.022 540 W CA -0.762 56.519 57.345 -0.106 0.000 1.324 540 W CB 0.731 30.067 29.460 -0.207 0.000 1.227 540 W HN -0.109 nan 8.180 nan 0.000 0.409 541 N N 5.367 123.644 118.700 -0.705 0.000 2.455 541 N HA 0.306 5.047 4.740 0.002 0.000 0.280 541 N C -0.445 174.523 175.510 -0.904 0.000 1.055 541 N CA -0.229 52.387 53.050 -0.723 0.000 0.961 541 N CB 1.635 39.570 38.487 -0.920 0.000 1.121 541 N HN 0.445 nan 8.380 nan 0.000 0.476 542 I N -1.718 118.559 120.570 -0.489 0.000 2.603 542 I HA 0.631 4.802 4.170 0.002 0.000 0.300 542 I C -0.543 175.473 176.117 -0.167 0.000 1.017 542 I CA -0.400 60.691 61.300 -0.349 0.000 1.098 542 I CB 1.885 39.769 38.000 -0.192 0.000 1.279 542 I HN 0.372 nan 8.210 nan 0.000 0.437 543 E N 5.430 125.586 120.200 -0.073 0.000 2.367 543 E HA 0.706 5.057 4.350 0.002 0.000 0.273 543 E C -1.610 175.031 176.600 0.069 0.000 0.903 543 E CA -0.846 55.576 56.400 0.037 0.000 0.764 543 E CB 2.750 32.542 29.700 0.153 0.000 1.252 543 E HN 0.579 nan 8.360 nan 0.000 0.446 544 L N 2.697 123.972 121.223 0.087 0.000 2.381 544 L HA 0.647 4.988 4.340 0.002 0.000 0.268 544 L C -0.562 176.377 176.870 0.115 0.000 0.997 544 L CA -0.623 54.272 54.840 0.092 0.000 0.818 544 L CB 1.364 43.466 42.059 0.071 0.000 1.310 544 L HN 0.382 nan 8.230 nan 0.000 0.416 545 I N 0.694 121.324 120.570 0.101 0.000 3.206 545 I HA 0.559 4.730 4.170 0.002 0.000 0.313 545 I C -2.276 173.782 176.117 -0.098 0.000 1.103 545 I CA -1.722 59.610 61.300 0.054 0.000 0.985 545 I CB 2.202 40.294 38.000 0.154 0.000 1.240 545 I HN 0.393 nan 8.210 nan 0.000 0.464 546 P HA 0.262 nan 4.420 nan 0.000 0.184 546 P C -0.733 176.406 177.300 -0.268 0.000 1.074 546 P CA -0.123 62.887 63.100 -0.149 0.000 0.790 546 P CB 0.663 32.344 31.700 -0.031 0.000 0.843 547 S N -1.767 113.843 115.700 -0.149 0.000 2.754 547 S HA 0.435 4.906 4.470 0.002 0.000 0.302 547 S C -1.421 173.043 174.600 -0.226 0.000 0.922 547 S CA -0.754 57.313 58.200 -0.222 0.000 0.822 547 S CB 0.137 63.050 63.200 -0.478 0.000 1.020 547 S HN 0.042 nan 8.310 nan 0.000 0.475 548 R N 1.592 122.002 120.500 -0.149 0.000 3.270 548 R HA 0.681 5.022 4.340 0.002 0.000 0.252 548 R C -0.341 175.923 176.300 -0.060 0.000 1.331 548 R CA -0.759 55.292 56.100 -0.082 0.000 1.028 548 R CB 0.465 30.759 30.300 -0.010 0.000 1.450 548 R HN 0.928 nan 8.270 nan 0.000 0.471 564 H N 2.416 121.518 119.070 0.052 0.000 2.685 564 H HA 0.364 4.921 4.556 0.002 0.000 0.307 564 H C -2.301 173.051 175.328 0.041 0.000 1.017 564 H CA -1.638 54.454 56.048 0.073 0.000 1.237 564 H CB 1.302 31.109 29.762 0.075 0.000 1.409 564 H HN 0.325 nan 8.280 nan 0.000 0.488 565 P HA 0.060 nan 4.420 nan 0.000 0.269 565 P C -0.474 176.888 177.300 0.104 0.000 1.217 565 P CA -0.425 62.743 63.100 0.113 0.000 0.783 565 P CB 0.664 32.439 31.700 0.125 0.000 0.898 566 A N 1.926 124.803 122.820 0.095 0.000 2.492 566 A HA 0.104 4.425 4.320 0.002 0.000 0.254 566 A C -0.065 177.648 177.584 0.214 0.000 1.091 566 A CA 0.100 52.200 52.037 0.105 0.000 0.768 566 A CB -0.768 18.324 19.000 0.154 0.000 1.028 566 A HN 0.619 nan 8.150 nan 0.000 0.498 567 H N 0.807 119.891 119.070 0.024 0.000 2.505 567 H HA 0.513 5.070 4.556 0.002 0.000 0.351 567 H C -0.559 174.659 175.328 -0.182 0.000 1.151 567 H CA -0.571 55.352 56.048 -0.209 0.000 1.339 567 H CB 1.266 30.973 29.762 -0.092 0.000 1.483 567 H HN 0.556 nan 8.280 nan 0.000 0.558 568 I N 3.062 123.482 120.570 -0.250 0.000 2.406 568 I HA 0.149 4.320 4.170 0.002 0.000 0.290 568 I C -1.145 174.900 176.117 -0.120 0.000 0.999 568 I CA -0.626 60.551 61.300 -0.206 0.000 1.124 568 I CB 1.710 39.484 38.000 -0.377 0.000 1.289 568 I HN 0.204 nan 8.210 nan 0.000 0.441 569 L N 7.008 128.229 121.223 -0.003 0.000 2.381 569 L HA 0.912 5.253 4.340 0.002 0.000 0.274 569 L C -0.863 175.949 176.870 -0.097 0.000 0.988 569 L CA -0.091 54.764 54.840 0.024 0.000 0.824 569 L CB 1.621 43.792 42.059 0.186 0.000 1.263 569 L HN 0.695 nan 8.230 nan 0.000 0.410 570 A N 4.175 126.849 122.820 -0.244 0.000 2.486 570 A HA 0.853 5.174 4.320 0.002 0.000 0.300 570 A C -1.946 175.177 177.584 -0.768 0.000 1.048 570 A CA -0.386 51.265 52.037 -0.643 0.000 0.696 570 A CB 1.275 19.864 19.000 -0.685 0.000 1.278 570 A HN 0.889 nan 8.150 nan 0.000 0.405 571 Y N -1.591 118.085 120.300 -1.040 0.000 2.592 571 Y HA 0.682 5.233 4.550 0.002 0.000 0.334 571 Y C -1.298 174.312 175.900 -0.483 0.000 1.136 571 Y CA -1.501 56.254 58.100 -0.575 0.000 1.042 571 Y CB 0.690 39.094 38.460 -0.093 0.000 1.325 571 Y HN 0.591 nan 8.280 nan 0.000 0.457 572 Y N 1.567 121.978 120.300 0.185 0.000 2.319 572 Y HA 0.493 5.044 4.550 0.002 0.000 0.328 572 Y C 0.558 176.676 175.900 0.365 0.000 1.133 572 Y CA 0.321 58.631 58.100 0.350 0.000 1.265 572 Y CB 1.537 40.268 38.460 0.452 0.000 1.218 572 Y HN 0.739 nan 8.280 nan 0.000 0.508 573 S N 3.874 119.901 115.700 0.544 0.000 2.543 573 S HA 0.363 4.834 4.470 0.002 0.000 0.271 573 S C -0.628 174.223 174.600 0.418 0.000 1.148 573 S CA -0.801 57.671 58.200 0.454 0.000 0.914 573 S CB 0.619 64.113 63.200 0.489 0.000 1.096 573 S HN 0.719 nan 8.310 nan 0.000 0.471 574 L N 3.613 125.015 121.223 0.298 0.000 2.715 574 L HA 0.420 4.761 4.340 0.002 0.000 0.238 574 L C 1.538 178.568 176.870 0.267 0.000 1.212 574 L CA 0.246 55.242 54.840 0.259 0.000 1.017 574 L CB -0.433 41.683 42.059 0.095 0.000 1.269 574 L HN 0.747 nan 8.230 nan 0.000 0.452 575 A N -0.680 122.308 122.820 0.279 0.000 2.026 575 A HA 0.671 4.992 4.320 0.002 0.000 0.198 575 A C 1.176 178.868 177.584 0.179 0.000 1.390 575 A CA 0.566 52.732 52.037 0.215 0.000 0.915 575 A CB 0.282 19.425 19.000 0.239 0.000 0.974 575 A HN 0.432 nan 8.150 nan 0.000 0.477 576 G N -0.815 108.100 108.800 0.191 0.000 2.582 576 G HA2 -0.054 3.907 3.960 0.002 0.000 0.222 576 G HA3 -0.054 3.907 3.960 0.002 0.000 0.222 576 G C -0.690 174.274 174.900 0.106 0.000 1.311 576 G CA -0.289 44.881 45.100 0.116 0.000 0.915 576 G HN 0.557 nan 8.290 nan 0.000 0.528 577 Q N 0.371 120.201 119.800 0.050 0.000 2.259 577 Q HA 0.525 4.866 4.340 0.002 0.000 0.249 577 Q C 0.699 176.713 176.000 0.024 0.000 0.914 577 Q CA -0.529 55.289 55.803 0.024 0.000 0.904 577 Q CB 0.792 29.519 28.738 -0.018 0.000 1.213 577 Q HN 0.570 nan 8.270 nan 0.000 0.428 578 R N 0.923 121.414 120.500 -0.014 0.000 2.623 578 R HA 0.030 4.371 4.340 0.002 0.000 0.271 578 R C 0.645 176.912 176.300 -0.055 0.000 1.043 578 R CA 0.197 56.261 56.100 -0.061 0.000 1.083 578 R CB -0.011 30.071 30.300 -0.363 0.000 0.974 578 R HN 0.590 nan 8.270 nan 0.000 0.436 579 T N 0.475 115.024 114.554 -0.010 0.000 3.043 579 T HA -0.088 4.263 4.350 0.002 0.000 0.263 579 T C 0.631 175.315 174.700 -0.027 0.000 1.094 579 T CA 1.176 63.267 62.100 -0.014 0.000 1.127 579 T CB -0.115 68.754 68.868 0.002 0.000 0.905 579 T HN 0.742 nan 8.240 nan 0.000 0.490 580 D N 0.337 120.724 120.400 -0.021 0.000 2.370 580 D HA 0.090 4.731 4.640 0.002 0.000 0.230 580 D C -0.138 176.134 176.300 -0.046 0.000 1.143 580 D CA -0.534 53.478 54.000 0.020 0.000 0.834 580 D CB -1.436 39.483 40.800 0.198 0.000 0.944 580 D HN 0.197 nan 8.370 nan 0.000 0.504 581 C N 2.023 121.249 119.300 -0.123 0.000 2.634 581 C HA 0.181 4.642 4.460 0.002 0.000 0.418 581 C C -1.441 173.514 174.990 -0.058 0.000 1.373 581 C CA -0.872 58.059 59.018 -0.146 0.000 1.756 581 C CB -0.343 27.326 27.740 -0.119 0.000 2.589 581 C HN 0.352 nan 8.230 nan 0.000 0.602 582 P HA 0.126 nan 4.420 nan 0.000 0.274 582 P C 0.947 178.255 177.300 0.013 0.000 1.264 582 P CA 0.076 63.185 63.100 0.015 0.000 0.795 582 P CB 0.324 32.050 31.700 0.044 0.000 1.064 583 T N -1.271 113.297 114.554 0.023 0.000 2.896 583 T HA -0.100 4.251 4.350 0.002 0.000 0.263 583 T C 1.509 176.225 174.700 0.028 0.000 1.050 583 T CA 1.888 63.999 62.100 0.019 0.000 1.140 583 T CB -1.001 67.878 68.868 0.019 0.000 0.877 583 T HN 0.651 nan 8.240 nan 0.000 0.457 584 T N 0.359 114.937 114.554 0.040 0.000 3.228 584 T HA 0.116 4.467 4.350 0.002 0.000 0.261 584 T C 0.320 175.060 174.700 0.067 0.000 1.171 584 T CA 0.016 62.146 62.100 0.050 0.000 1.056 584 T CB -0.593 68.310 68.868 0.059 0.000 0.938 584 T HN 0.068 nan 8.240 nan 0.000 0.539 585 V N 0.779 120.729 119.914 0.061 0.000 2.638 585 V HA 0.551 4.672 4.120 0.002 0.000 0.306 585 V C -0.244 175.875 176.094 0.042 0.000 1.052 585 V CA -1.182 61.165 62.300 0.077 0.000 0.885 585 V CB 2.063 33.946 31.823 0.101 0.000 0.999 585 V HN 0.265 nan 8.190 nan 0.000 0.424 586 R N 2.557 123.086 120.500 0.048 0.000 2.494 586 R HA 0.762 5.103 4.340 0.002 0.000 0.305 586 R C -1.485 174.826 176.300 0.018 0.000 0.959 586 R CA -0.508 55.608 56.100 0.027 0.000 0.864 586 R CB 2.112 32.430 30.300 0.029 0.000 1.159 586 R HN 0.567 nan 8.270 nan 0.000 0.446 587 V N 5.874 125.787 119.914 -0.002 0.000 2.347 587 V HA 0.305 4.426 4.120 0.002 0.000 0.280 587 V C 0.272 176.354 176.094 -0.020 0.000 1.021 587 V CA -0.792 61.496 62.300 -0.020 0.000 0.847 587 V CB 1.326 33.128 31.823 -0.035 0.000 0.990 587 V HN 0.651 nan 8.190 nan 0.000 0.444 588 L N 5.552 126.761 121.223 -0.024 0.000 2.360 588 L HA 0.374 4.716 4.340 0.002 0.000 0.276 588 L C 0.581 177.440 176.870 -0.019 0.000 1.121 588 L CA 0.210 55.042 54.840 -0.014 0.000 0.845 588 L CB 0.560 42.617 42.059 -0.004 0.000 1.143 588 L HN 0.632 nan 8.230 nan 0.000 0.452 589 K N 4.439 124.833 120.400 -0.009 0.000 2.920 589 K HA 0.233 4.554 4.320 0.002 0.000 0.175 589 K C -0.859 175.740 176.600 -0.001 0.000 1.099 589 K CA -0.535 55.746 56.287 -0.009 0.000 0.939 589 K CB 0.908 33.401 32.500 -0.013 0.000 1.148 589 K HN 0.518 nan 8.250 nan 0.000 0.613 590 E N -0.268 119.935 120.200 0.005 0.000 7.835 590 E HA -0.175 4.176 4.350 0.002 0.000 0.160 590 E C -2.626 173.978 176.600 0.007 0.000 1.465 590 E CA 0.268 56.672 56.400 0.007 0.000 2.539 590 E CB -1.342 28.361 29.700 0.004 0.000 1.573 590 E HN 0.274 nan 8.360 nan 0.000 0.447 591 P HA -0.068 nan 4.420 nan 0.000 0.252 591 P C 0.287 177.590 177.300 0.005 0.000 1.147 591 P CA 0.519 63.623 63.100 0.006 0.000 0.779 591 P CB -0.056 31.647 31.700 0.005 0.000 0.733 592 I N 0.000 120.573 120.570 0.006 0.000 2.984 592 I HA 0.000 4.171 4.170 0.002 0.000 0.288 592 I CA 0.000 61.303 61.300 0.004 0.000 1.566 592 I CB 0.000 38.004 38.000 0.006 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494