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 3ogl_1_L 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 0.000 174.604 174.600 0.007 0.000 1.055 12 S CA 0.000 58.204 58.200 0.006 0.000 1.107 12 S CB 0.000 63.203 63.200 0.005 0.000 0.593 13 C N 3.457 122.762 119.300 0.008 0.000 2.401 13 C HA 0.824 5.284 4.460 0.001 0.000 0.356 13 C C 0.750 175.746 174.990 0.010 0.000 1.192 13 C CA -0.231 58.792 59.018 0.009 0.000 2.028 13 C CB 0.966 28.712 27.740 0.011 0.000 2.344 13 C HN 0.969 nan 8.230 nan 0.000 0.525 14 V N 3.442 123.363 119.914 0.011 0.000 2.752 14 V HA 0.245 4.366 4.120 0.001 0.000 0.306 14 V C 0.898 177.001 176.094 0.014 0.000 1.099 14 V CA 0.440 62.747 62.300 0.012 0.000 1.240 14 V CB -0.485 31.346 31.823 0.012 0.000 0.887 14 V HN 1.055 nan 8.190 nan 0.000 0.499 15 A N 4.495 127.324 122.820 0.014 0.000 2.320 15 A HA 0.614 4.934 4.320 0.001 0.000 0.287 15 A C 0.555 178.153 177.584 0.024 0.000 1.181 15 A CA -0.381 51.665 52.037 0.016 0.000 0.831 15 A CB 0.075 19.081 19.000 0.011 0.000 1.102 15 A HN 0.928 nan 8.150 nan 0.000 0.513 16 T N 1.375 115.948 114.554 0.032 0.000 2.862 16 T HA 0.349 4.700 4.350 0.001 0.000 0.276 16 T C 1.716 176.451 174.700 0.059 0.000 0.974 16 T CA -0.260 61.868 62.100 0.048 0.000 0.966 16 T CB 1.017 69.919 68.868 0.057 0.000 1.072 16 T HN 0.386 nan 8.240 nan 0.000 0.538 17 V N 0.238 120.208 119.914 0.092 0.000 2.343 17 V HA -0.153 3.967 4.120 0.001 0.000 0.247 17 V C 2.220 178.382 176.094 0.113 0.000 1.051 17 V CA 2.034 64.408 62.300 0.123 0.000 1.036 17 V CB -0.958 31.008 31.823 0.238 0.000 0.654 17 V HN 0.946 nan 8.190 nan 0.000 0.451 18 D N 0.152 120.638 120.400 0.143 0.000 2.357 18 D HA -0.183 4.457 4.640 0.001 0.000 0.216 18 D C 1.354 177.687 176.300 0.055 0.000 0.973 18 D CA 0.949 55.025 54.000 0.126 0.000 0.912 18 D CB -0.127 40.751 40.800 0.130 0.000 0.900 18 D HN 0.438 nan 8.370 nan 0.000 0.501 19 D N -0.716 119.707 120.400 0.038 0.000 2.342 19 D HA 0.049 4.689 4.640 0.001 0.000 0.221 19 D C 0.767 177.064 176.300 -0.005 0.000 1.101 19 D CA 0.100 54.110 54.000 0.016 0.000 0.837 19 D CB 1.450 42.260 40.800 0.017 0.000 0.938 19 D HN 0.124 nan 8.370 nan 0.000 0.508 20 V N 0.149 120.050 119.914 -0.021 0.000 3.643 20 V HA 0.010 4.130 4.120 0.001 0.000 0.271 20 V C 1.148 177.186 176.094 -0.093 0.000 1.698 20 V CA -0.078 62.194 62.300 -0.047 0.000 1.113 20 V CB 0.623 32.425 31.823 -0.037 0.000 0.930 20 V HN -0.054 nan 8.190 nan 0.000 0.395 21 I N 1.045 121.537 120.570 -0.129 0.000 2.353 21 I HA -0.049 4.121 4.170 0.001 0.000 0.248 21 I C 2.091 178.057 176.117 -0.252 0.000 1.119 21 I CA 2.045 63.177 61.300 -0.280 0.000 1.417 21 I CB -0.135 37.577 38.000 -0.479 0.000 1.078 21 I HN 0.388 nan 8.210 nan 0.000 0.421 22 E N -0.008 120.096 120.200 -0.161 0.000 2.171 22 E HA -0.283 4.068 4.350 0.001 0.000 0.197 22 E C 1.996 178.556 176.600 -0.067 0.000 0.997 22 E CA 1.212 57.548 56.400 -0.106 0.000 0.810 22 E CB -0.208 29.457 29.700 -0.058 0.000 0.738 22 E HN 0.654 nan 8.360 nan 0.000 0.467 23 Q N 0.141 119.906 119.800 -0.059 0.000 2.061 23 Q HA -0.058 4.283 4.340 0.001 0.000 0.195 23 Q C 2.528 178.542 176.000 0.023 0.000 0.967 23 Q CA 0.811 56.611 55.803 -0.005 0.000 0.829 23 Q CB 0.096 28.814 28.738 -0.033 0.000 0.900 23 Q HN 0.191 nan 8.270 nan 0.000 0.450 24 V N 1.343 121.206 119.914 -0.085 0.000 2.343 24 V HA -0.286 3.834 4.120 0.001 0.000 0.247 24 V C 2.417 178.522 176.094 0.019 0.000 1.051 24 V CA 1.768 64.003 62.300 -0.107 0.000 1.036 24 V CB -0.574 31.150 31.823 -0.164 0.000 0.654 24 V HN 0.331 nan 8.190 nan 0.000 0.451 25 M N 1.649 121.204 119.600 -0.075 0.000 2.143 25 M HA -0.211 4.270 4.480 0.001 0.000 0.258 25 M C 2.113 178.433 176.300 0.032 0.000 1.071 25 M CA 2.536 57.795 55.300 -0.069 0.000 1.088 25 M CB -0.808 31.705 32.600 -0.145 0.000 1.360 25 M HN 0.567 nan 8.290 nan 0.000 0.404 26 T N -2.621 111.984 114.554 0.086 0.000 3.227 26 T HA -0.071 4.279 4.350 0.001 0.000 0.257 26 T C 0.722 175.414 174.700 -0.013 0.000 1.162 26 T CA 0.652 62.774 62.100 0.036 0.000 1.051 26 T CB -0.676 68.195 68.868 0.005 0.000 0.953 26 T HN 0.498 nan 8.240 nan 0.000 0.535 27 Y N 0.494 120.769 120.300 -0.042 0.000 2.467 27 Y HA 0.506 5.056 4.550 0.001 0.000 0.250 27 Y C 0.696 176.583 175.900 -0.021 0.000 1.155 27 Y CA -1.687 56.396 58.100 -0.029 0.000 1.249 27 Y CB 0.252 38.696 38.460 -0.027 0.000 1.146 27 Y HN 0.286 nan 8.280 nan 0.000 0.524 28 I N 0.133 120.768 120.570 0.108 0.000 2.304 28 I HA 0.118 4.288 4.170 0.001 0.000 0.291 28 I C 1.155 177.287 176.117 0.025 0.000 1.018 28 I CA 0.085 61.423 61.300 0.063 0.000 1.260 28 I CB 1.551 39.586 38.000 0.058 0.000 1.390 28 I HN -0.035 nan 8.210 nan 0.000 0.475 29 T N 2.400 116.963 114.554 0.014 0.000 3.038 29 T HA -0.008 4.343 4.350 0.001 0.000 0.244 29 T C 0.686 175.380 174.700 -0.010 0.000 1.016 29 T CA 0.060 62.151 62.100 -0.014 0.000 1.098 29 T CB 0.054 68.905 68.868 -0.029 0.000 0.954 29 T HN 0.586 nan 8.240 nan 0.000 0.469 30 D N 2.275 122.679 120.400 0.008 0.000 2.472 30 D HA 0.094 4.735 4.640 0.001 0.000 0.248 30 D C -1.704 174.609 176.300 0.021 0.000 1.174 30 D CA -1.810 52.197 54.000 0.012 0.000 0.883 30 D CB 1.624 42.439 40.800 0.026 0.000 1.149 30 D HN 0.143 nan 8.370 nan 0.000 0.488 31 P HA -0.131 nan 4.420 nan 0.000 0.221 31 P C 0.870 178.199 177.300 0.049 0.000 1.145 31 P CA 1.034 64.148 63.100 0.023 0.000 0.795 31 P CB 0.309 32.018 31.700 0.015 0.000 0.775 32 K N -0.894 119.536 120.400 0.050 0.000 2.400 32 K HA 0.007 4.328 4.320 0.001 0.000 0.194 32 K C 1.279 177.923 176.600 0.072 0.000 1.033 32 K CA 0.858 57.182 56.287 0.062 0.000 1.021 32 K CB -0.354 32.179 32.500 0.055 0.000 0.808 32 K HN -0.036 nan 8.250 nan 0.000 0.505 33 D N -0.540 119.902 120.400 0.071 0.000 2.324 33 D HA 0.019 4.659 4.640 0.001 0.000 0.212 33 D C 1.587 177.952 176.300 0.108 0.000 0.984 33 D CA 0.238 54.291 54.000 0.087 0.000 0.885 33 D CB 0.316 41.163 40.800 0.077 0.000 0.996 33 D HN -0.041 nan 8.370 nan 0.000 0.505 34 R N 1.161 121.718 120.500 0.094 0.000 2.083 34 R HA -0.131 4.210 4.340 0.001 0.000 0.237 34 R C 1.726 178.112 176.300 0.143 0.000 1.137 34 R CA 0.993 57.159 56.100 0.110 0.000 0.951 34 R CB -0.971 29.379 30.300 0.082 0.000 0.851 34 R HN 0.278 nan 8.270 nan 0.000 0.434 35 D N 0.179 120.657 120.400 0.129 0.000 2.127 35 D HA -0.149 4.491 4.640 0.001 0.000 0.190 35 D C 1.742 178.128 176.300 0.142 0.000 1.000 35 D CA 2.443 56.527 54.000 0.139 0.000 0.839 35 D CB 0.082 40.950 40.800 0.112 0.000 0.955 35 D HN 0.154 nan 8.370 nan 0.000 0.446 36 S N 0.019 115.795 115.700 0.127 0.000 2.345 36 S HA -0.152 4.319 4.470 0.001 0.000 0.220 36 S C 2.205 176.904 174.600 0.166 0.000 1.031 36 S CA 1.047 59.320 58.200 0.121 0.000 0.996 36 S CB -0.716 62.545 63.200 0.101 0.000 0.882 36 S HN 0.421 nan 8.310 nan 0.000 0.445 37 A N 2.213 125.167 122.820 0.223 0.000 1.986 37 A HA -0.163 4.158 4.320 0.001 0.000 0.220 37 A C 2.314 180.132 177.584 0.390 0.000 1.171 37 A CA 2.067 54.329 52.037 0.376 0.000 0.640 37 A CB -1.087 18.128 19.000 0.358 0.000 0.811 37 A HN 0.664 nan 8.150 nan 0.000 0.451 38 S N -1.152 114.718 115.700 0.282 0.000 2.555 38 S HA 0.124 4.595 4.470 0.001 0.000 0.230 38 S C 1.224 176.030 174.600 0.343 0.000 0.978 38 S CA 1.097 59.482 58.200 0.308 0.000 0.934 38 S CB -0.273 63.083 63.200 0.261 0.000 0.766 38 S HN 0.449 nan 8.310 nan 0.000 0.533 39 L N 1.234 122.590 121.223 0.221 0.000 2.766 39 L HA 0.316 4.656 4.340 0.001 0.000 0.242 39 L C 1.954 178.843 176.870 0.031 0.000 1.136 39 L CA 0.117 55.032 54.840 0.125 0.000 0.933 39 L CB 0.806 42.917 42.059 0.087 0.000 1.241 39 L HN 0.360 nan 8.230 nan 0.000 0.522 40 V N -1.885 118.022 119.914 -0.013 0.000 2.951 40 V HA 0.046 4.167 4.120 0.001 0.000 0.255 40 V C 0.651 176.611 176.094 -0.224 0.000 1.088 40 V CA 0.719 62.886 62.300 -0.223 0.000 1.109 40 V CB -0.219 31.252 31.823 -0.586 0.000 0.724 40 V HN 0.554 nan 8.190 nan 0.000 0.471 41 C N -2.383 116.867 119.300 -0.084 0.000 3.034 41 C HA 0.414 4.874 4.460 0.001 0.000 0.336 41 C C 1.167 176.228 174.990 0.117 0.000 1.304 41 C CA -0.384 58.614 59.018 -0.033 0.000 1.197 41 C CB 0.906 28.577 27.740 -0.114 0.000 1.373 41 C HN 0.384 nan 8.230 nan 0.000 0.459 42 R N 0.229 120.780 120.500 0.084 0.000 2.105 42 R HA -0.101 4.240 4.340 0.001 0.000 0.239 42 R C 2.484 178.941 176.300 0.261 0.000 1.135 42 R CA 2.025 58.201 56.100 0.127 0.000 0.967 42 R CB -0.232 30.099 30.300 0.051 0.000 0.861 42 R HN 0.724 nan 8.270 nan 0.000 0.442 43 R N -0.188 120.467 120.500 0.258 0.000 2.057 43 R HA -0.141 4.199 4.340 0.001 0.000 0.229 43 R C 1.858 178.367 176.300 0.348 0.000 1.136 43 R CA 1.438 57.707 56.100 0.282 0.000 0.952 43 R CB -0.185 30.278 30.300 0.272 0.000 0.848 43 R HN 0.205 nan 8.270 nan 0.000 0.430 44 W N 0.382 121.744 121.300 0.103 0.000 2.321 44 W HA -0.229 4.432 4.660 0.001 0.000 0.306 44 W C 2.061 178.646 176.519 0.110 0.000 1.217 44 W CA 1.117 58.518 57.345 0.092 0.000 1.257 44 W CB -1.059 28.454 29.460 0.089 0.000 1.145 44 W HN 0.131 nan 8.180 nan 0.000 0.509 45 F N 1.509 121.616 119.950 0.261 0.000 2.069 45 F HA -0.265 4.262 4.527 0.001 0.000 0.298 45 F C 2.399 178.251 175.800 0.088 0.000 1.113 45 F CA 2.559 60.644 58.000 0.142 0.000 1.214 45 F CB -0.627 38.425 39.000 0.086 0.000 0.978 45 F HN -0.208 nan 8.300 nan 0.000 0.474 46 K N 0.432 120.932 120.400 0.166 0.000 2.097 46 K HA -0.135 4.185 4.320 0.001 0.000 0.206 46 K C 2.117 178.672 176.600 -0.075 0.000 1.049 46 K CA 1.765 58.054 56.287 0.003 0.000 0.933 46 K CB -0.275 32.310 32.500 0.142 0.000 0.717 46 K HN 0.410 nan 8.250 nan 0.000 0.442 47 I N 0.765 121.322 120.570 -0.022 0.000 2.252 47 I HA -0.265 3.905 4.170 0.001 0.000 0.245 47 I C 2.118 178.194 176.117 -0.067 0.000 1.102 47 I CA 1.665 62.933 61.300 -0.054 0.000 1.385 47 I CB -0.410 37.534 38.000 -0.094 0.000 1.064 47 I HN 0.334 nan 8.210 nan 0.000 0.414 48 D N 0.410 120.769 120.400 -0.068 0.000 2.117 48 D HA -0.247 4.394 4.640 0.001 0.000 0.197 48 D C 2.260 178.553 176.300 -0.012 0.000 0.987 48 D CA 1.704 55.689 54.000 -0.025 0.000 0.829 48 D CB -0.004 40.807 40.800 0.017 0.000 0.961 48 D HN 0.170 nan 8.370 nan 0.000 0.460 49 S N -0.493 115.082 115.700 -0.209 0.000 2.374 49 S HA -0.252 4.218 4.470 0.001 0.000 0.227 49 S C 1.778 176.368 174.600 -0.017 0.000 1.037 49 S CA 1.624 59.678 58.200 -0.243 0.000 1.024 49 S CB -0.497 62.385 63.200 -0.529 0.000 0.861 49 S HN 0.434 nan 8.310 nan 0.000 0.456 50 E N -0.303 119.877 120.200 -0.035 0.000 2.478 50 E HA 0.027 4.377 4.350 0.001 0.000 0.194 50 E C 1.693 178.307 176.600 0.023 0.000 1.045 50 E CA 1.037 57.440 56.400 0.004 0.000 0.868 50 E CB 0.186 29.880 29.700 -0.010 0.000 0.885 50 E HN 0.864 nan 8.360 nan 0.000 0.505 51 T N -2.165 112.404 114.554 0.025 0.000 2.985 51 T HA 0.154 4.505 4.350 0.001 0.000 0.254 51 T C 0.909 175.619 174.700 0.017 0.000 1.021 51 T CA -0.506 61.602 62.100 0.013 0.000 0.957 51 T CB 0.192 69.055 68.868 -0.008 0.000 1.047 51 T HN -0.188 nan 8.240 nan 0.000 0.511 52 R N 2.173 122.707 120.500 0.055 0.000 2.502 52 R HA 0.140 4.481 4.340 0.001 0.000 0.292 52 R C 0.987 177.248 176.300 -0.066 0.000 0.998 52 R CA 0.515 56.600 56.100 -0.024 0.000 1.056 52 R CB 0.145 30.388 30.300 -0.095 0.000 0.939 52 R HN 0.438 nan 8.270 nan 0.000 0.411 53 E N 1.514 121.670 120.200 -0.074 0.000 2.201 53 E HA -0.021 4.329 4.350 0.001 0.000 0.193 53 E C -0.052 176.520 176.600 -0.047 0.000 0.957 53 E CA 0.297 56.669 56.400 -0.046 0.000 0.858 53 E CB 0.174 29.860 29.700 -0.024 0.000 0.816 53 E HN 0.506 nan 8.360 nan 0.000 0.475 54 H N 0.577 119.544 119.070 -0.172 0.000 2.589 54 H HA 0.453 5.009 4.556 0.001 0.000 0.351 54 H C -1.446 173.734 175.328 -0.247 0.000 1.074 54 H CA -0.497 55.448 56.048 -0.173 0.000 1.203 54 H CB 1.312 31.001 29.762 -0.122 0.000 1.558 54 H HN -0.187 nan 8.280 nan 0.000 0.522 55 V N 3.906 123.429 119.914 -0.652 0.000 2.876 55 V HA 0.371 4.491 4.120 0.001 0.000 0.312 55 V C -0.275 175.519 176.094 -0.501 0.000 1.085 55 V CA -0.665 61.368 62.300 -0.446 0.000 0.945 55 V CB 2.299 33.880 31.823 -0.404 0.000 1.017 55 V HN 0.900 nan 8.190 nan 0.000 0.428 56 T N 4.812 119.253 114.554 -0.189 0.000 2.881 56 T HA 0.538 4.889 4.350 0.001 0.000 0.291 56 T C -0.473 174.164 174.700 -0.104 0.000 0.990 56 T CA -0.367 61.650 62.100 -0.138 0.000 0.976 56 T CB 1.092 69.963 68.868 0.005 0.000 0.970 56 T HN 0.481 nan 8.240 nan 0.000 0.438 57 M N 2.771 122.280 119.600 -0.153 0.000 2.080 57 M HA 0.392 4.873 4.480 0.001 0.000 0.350 57 M C 1.329 177.558 176.300 -0.119 0.000 1.173 57 M CA -0.739 54.492 55.300 -0.114 0.000 1.052 57 M CB 1.365 33.858 32.600 -0.179 0.000 1.577 57 M HN 0.789 nan 8.290 nan 0.000 0.455 58 A N 4.529 127.309 122.820 -0.067 0.000 2.067 58 A HA 0.106 4.426 4.320 0.001 0.000 0.219 58 A C 0.793 178.325 177.584 -0.088 0.000 1.158 58 A CA 1.007 52.986 52.037 -0.097 0.000 0.661 58 A CB 0.213 19.160 19.000 -0.090 0.000 0.801 58 A HN 0.752 nan 8.150 nan 0.000 0.452 59 L N 0.014 121.220 121.223 -0.028 0.000 2.541 59 L HA 0.178 4.518 4.340 0.001 0.000 0.266 59 L C 0.977 177.845 176.870 -0.004 0.000 0.966 59 L CA -0.700 54.151 54.840 0.019 0.000 0.871 59 L CB 1.533 43.658 42.059 0.110 0.000 1.232 59 L HN 0.453 nan 8.230 nan 0.000 0.408 60 C N 1.836 121.063 119.300 -0.122 0.000 2.419 60 C HA -0.128 4.333 4.460 0.001 0.000 0.283 60 C C 1.767 176.760 174.990 0.006 0.000 1.373 60 C CA 0.363 59.251 59.018 -0.217 0.000 1.781 60 C CB -1.396 26.068 27.740 -0.460 0.000 1.886 60 C HN 0.789 nan 8.230 nan 0.000 0.520 61 Y N 0.931 121.314 120.300 0.139 0.000 2.529 61 Y HA 0.040 4.590 4.550 0.001 0.000 0.290 61 Y C 2.805 178.857 175.900 0.254 0.000 1.177 61 Y CA 0.954 59.158 58.100 0.172 0.000 1.305 61 Y CB -0.365 38.120 38.460 0.040 0.000 1.047 61 Y HN 0.354 nan 8.280 nan 0.000 0.522 62 T N -0.388 114.374 114.554 0.346 0.000 3.023 62 T HA 0.304 4.654 4.350 0.001 0.000 0.266 62 T C 0.482 175.390 174.700 0.348 0.000 1.093 62 T CA 0.751 63.075 62.100 0.374 0.000 1.129 62 T CB -0.147 68.901 68.868 0.300 0.000 0.899 62 T HN 0.281 nan 8.240 nan 0.000 0.491 63 A N 0.014 123.044 122.820 0.350 0.000 2.612 63 A HA 0.605 4.925 4.320 0.001 0.000 0.293 63 A C -0.205 177.562 177.584 0.304 0.000 1.075 63 A CA -0.841 51.382 52.037 0.312 0.000 0.680 63 A CB 0.863 20.037 19.000 0.291 0.000 1.279 63 A HN 0.247 nan 8.150 nan 0.000 0.411 64 T N 1.044 115.694 114.554 0.161 0.000 2.918 64 T HA 0.387 4.738 4.350 0.001 0.000 0.302 64 T C -2.056 172.533 174.700 -0.184 0.000 1.045 64 T CA -0.861 61.226 62.100 -0.022 0.000 1.114 64 T CB 0.561 69.418 68.868 -0.018 0.000 0.965 64 T HN 0.328 nan 8.240 nan 0.000 0.540 65 P HA -0.034 nan 4.420 nan 0.000 0.221 65 P C 1.159 178.317 177.300 -0.237 0.000 1.150 65 P CA 0.592 63.199 63.100 -0.822 0.000 0.800 65 P CB 0.083 31.013 31.700 -1.283 0.000 0.787 66 D N 0.006 120.297 120.400 -0.181 0.000 2.116 66 D HA -0.219 4.422 4.640 0.001 0.000 0.193 66 D C 2.104 178.404 176.300 0.001 0.000 0.998 66 D CA 1.266 55.227 54.000 -0.066 0.000 0.836 66 D CB -0.350 40.418 40.800 -0.053 0.000 0.951 66 D HN -0.076 nan 8.370 nan 0.000 0.449 67 R N -0.524 119.991 120.500 0.025 0.000 2.105 67 R HA -0.146 4.195 4.340 0.001 0.000 0.239 67 R C 2.383 178.743 176.300 0.100 0.000 1.135 67 R CA 1.284 57.425 56.100 0.068 0.000 0.967 67 R CB -0.445 29.914 30.300 0.098 0.000 0.861 67 R HN 0.329 nan 8.270 nan 0.000 0.442 68 L N 0.603 121.925 121.223 0.164 0.000 2.027 68 L HA -0.119 4.221 4.340 0.001 0.000 0.206 68 L C 2.339 179.330 176.870 0.201 0.000 1.074 68 L CA 2.384 57.375 54.840 0.252 0.000 0.745 68 L CB -0.563 41.738 42.059 0.403 0.000 0.898 68 L HN 0.321 nan 8.230 nan 0.000 0.433 69 S N -0.333 115.452 115.700 0.142 0.000 2.383 69 S HA -0.247 4.223 4.470 0.001 0.000 0.227 69 S C 2.244 176.884 174.600 0.066 0.000 1.026 69 S CA 0.956 59.222 58.200 0.110 0.000 0.981 69 S CB -0.705 62.538 63.200 0.072 0.000 0.818 69 S HN 0.630 nan 8.310 nan 0.000 0.472 70 R N 1.237 121.761 120.500 0.040 0.000 2.081 70 R HA -0.012 4.328 4.340 0.001 0.000 0.235 70 R C 2.537 178.818 176.300 -0.032 0.000 1.131 70 R CA 1.540 57.649 56.100 0.015 0.000 0.960 70 R CB -0.297 30.015 30.300 0.021 0.000 0.856 70 R HN 0.440 nan 8.270 nan 0.000 0.436 71 R N -0.364 120.080 120.500 -0.093 0.000 2.093 71 R HA 0.025 4.366 4.340 0.001 0.000 0.224 71 R C -0.165 175.785 176.300 -0.583 0.000 1.101 71 R CA 1.317 57.196 56.100 -0.370 0.000 0.979 71 R CB 0.170 30.157 30.300 -0.521 0.000 0.877 71 R HN 0.256 nan 8.270 nan 0.000 0.441 72 F N -0.019 119.937 119.950 0.010 0.000 2.622 72 F HA 0.391 4.918 4.527 0.001 0.000 0.338 72 F C -1.865 173.936 175.800 0.001 0.000 1.334 72 F CA -2.247 55.746 58.000 -0.013 0.000 1.179 72 F CB 2.080 41.076 39.000 -0.008 0.000 1.471 72 F HN -0.019 nan 8.300 nan 0.000 0.576 73 P HA -0.108 nan 4.420 nan 0.000 0.223 73 P C -0.080 177.267 177.300 0.077 0.000 1.144 73 P CA 1.446 64.596 63.100 0.083 0.000 0.783 73 P CB 0.124 31.852 31.700 0.046 0.000 0.771 74 N N -1.332 117.421 118.700 0.087 0.000 2.401 74 N HA 0.173 4.914 4.740 0.001 0.000 0.264 74 N C -0.300 175.232 175.510 0.037 0.000 1.238 74 N CA -0.314 52.767 53.050 0.052 0.000 0.889 74 N CB 0.057 38.567 38.487 0.038 0.000 1.196 74 N HN 0.033 nan 8.380 nan 0.000 0.511 75 L N 0.929 122.178 121.223 0.043 0.000 2.543 75 L HA 0.005 4.346 4.340 0.001 0.000 0.285 75 L C 1.405 178.266 176.870 -0.016 0.000 1.236 75 L CA 0.417 55.250 54.840 -0.012 0.000 0.871 75 L CB 0.571 42.617 42.059 -0.022 0.000 1.121 75 L HN 0.306 nan 8.230 nan 0.000 0.501 76 R N 0.751 121.233 120.500 -0.031 0.000 2.287 76 R HA 0.166 4.507 4.340 0.001 0.000 0.197 76 R C 0.276 176.558 176.300 -0.031 0.000 0.900 76 R CA 0.214 56.301 56.100 -0.022 0.000 1.052 76 R CB 0.608 30.900 30.300 -0.014 0.000 1.117 76 R HN 0.588 nan 8.270 nan 0.000 0.568 77 S N 0.610 116.281 115.700 -0.049 0.000 2.538 77 S HA 0.626 5.096 4.470 0.001 0.000 0.288 77 S C -1.462 172.984 174.600 -0.256 0.000 1.108 77 S CA -0.652 57.507 58.200 -0.068 0.000 0.971 77 S CB 1.109 64.377 63.200 0.113 0.000 1.041 77 S HN 0.058 nan 8.310 nan 0.000 0.483 78 L N 3.426 124.500 121.223 -0.248 0.000 2.371 78 L HA 0.799 5.140 4.340 0.001 0.000 0.262 78 L C -1.242 175.459 176.870 -0.281 0.000 1.006 78 L CA -0.317 54.330 54.840 -0.322 0.000 0.818 78 L CB 1.969 43.925 42.059 -0.173 0.000 1.354 78 L HN 0.800 nan 8.230 nan 0.000 0.415 79 K N 4.392 124.609 120.400 -0.305 0.000 2.615 79 K HA 0.609 4.930 4.320 0.001 0.000 0.249 79 K C -2.273 174.175 176.600 -0.254 0.000 0.977 79 K CA -0.484 55.661 56.287 -0.238 0.000 0.833 79 K CB 1.089 33.461 32.500 -0.213 0.000 1.208 79 K HN 0.696 nan 8.250 nan 0.000 0.443 80 L N 3.727 124.830 121.223 -0.201 0.000 2.365 80 L HA 0.575 4.915 4.340 0.001 0.000 0.273 80 L C -0.470 176.288 176.870 -0.187 0.000 1.000 80 L CA -1.078 53.604 54.840 -0.263 0.000 0.819 80 L CB 1.971 43.786 42.059 -0.407 0.000 1.284 80 L HN 0.486 nan 8.230 nan 0.000 0.418 81 K N 0.777 121.057 120.400 -0.199 0.000 2.156 81 K HA 0.665 4.986 4.320 0.001 0.000 0.254 81 K C 0.243 176.780 176.600 -0.105 0.000 0.950 81 K CA -0.506 55.696 56.287 -0.142 0.000 0.849 81 K CB 2.526 34.932 32.500 -0.156 0.000 1.100 81 K HN 0.762 nan 8.250 nan 0.000 0.434 82 G N 1.498 110.276 108.800 -0.037 0.000 2.560 82 G HA2 0.101 4.062 3.960 0.001 0.000 0.212 82 G HA3 0.101 4.062 3.960 0.001 0.000 0.212 82 G C -0.542 174.476 174.900 0.197 0.000 2.038 82 G CA -0.329 44.829 45.100 0.096 0.000 0.728 82 G HN 0.392 nan 8.290 nan 0.000 0.784 83 K N 1.860 122.348 120.400 0.145 0.000 2.561 83 K HA 0.113 4.434 4.320 0.001 0.000 0.280 83 K C -2.212 174.198 176.600 -0.316 0.000 0.975 83 K CA -0.765 55.384 56.287 -0.231 0.000 1.024 83 K CB 0.481 32.892 32.500 -0.148 0.000 0.883 83 K HN 0.091 nan 8.250 nan 0.000 0.496 84 P HA -0.063 nan 4.420 nan 0.000 0.270 84 P C 0.343 177.447 177.300 -0.326 0.000 1.221 84 P CA 0.062 62.964 63.100 -0.330 0.000 0.788 84 P CB 0.494 31.896 31.700 -0.496 0.000 0.904 85 R N 1.394 121.732 120.500 -0.270 0.000 2.120 85 R HA -0.140 4.200 4.340 0.001 0.000 0.234 85 R C 1.991 178.205 176.300 -0.144 0.000 1.123 85 R CA 1.589 57.581 56.100 -0.179 0.000 0.975 85 R CB -0.778 29.459 30.300 -0.105 0.000 0.866 85 R HN 0.532 nan 8.270 nan 0.000 0.446 86 A N 0.541 123.106 122.820 -0.425 0.000 2.076 86 A HA -0.120 4.200 4.320 0.001 0.000 0.220 86 A C 2.198 179.693 177.584 -0.148 0.000 1.160 86 A CA 1.516 53.318 52.037 -0.391 0.000 0.653 86 A CB -0.449 17.871 19.000 -1.134 0.000 0.801 86 A HN 0.442 nan 8.150 nan 0.000 0.455 87 A N -0.354 122.328 122.820 -0.230 0.000 2.019 87 A HA -0.083 4.237 4.320 0.001 0.000 0.219 87 A C 2.001 179.505 177.584 -0.134 0.000 1.164 87 A CA 1.521 53.459 52.037 -0.165 0.000 0.644 87 A CB -0.552 18.332 19.000 -0.193 0.000 0.805 87 A HN 0.550 nan 8.150 nan 0.000 0.449 88 M N -1.524 117.972 119.600 -0.174 0.000 2.686 88 M HA 0.078 4.559 4.480 0.001 0.000 0.246 88 M C -0.178 175.690 176.300 -0.721 0.000 1.096 88 M CA 0.786 55.837 55.300 -0.416 0.000 1.076 88 M CB -0.123 32.169 32.600 -0.513 0.000 1.504 88 M HN 0.443 nan 8.290 nan 0.000 0.524 89 F N -0.351 119.542 119.950 -0.096 0.000 2.791 89 F HA 0.304 4.832 4.527 0.001 0.000 0.316 89 F C 0.241 176.003 175.800 -0.064 0.000 1.134 89 F CA -0.813 57.147 58.000 -0.066 0.000 1.222 89 F CB 0.006 38.972 39.000 -0.057 0.000 1.034 89 F HN 0.098 nan 8.300 nan 0.000 0.516 90 N N 1.795 120.507 118.700 0.021 0.000 2.705 90 N HA -0.200 4.540 4.740 0.001 0.000 0.255 90 N C 0.467 175.970 175.510 -0.011 0.000 1.008 90 N CA 0.650 53.699 53.050 -0.001 0.000 0.742 90 N CB -1.175 37.316 38.487 0.007 0.000 0.906 90 N HN 0.455 nan 8.380 nan 0.000 0.541 91 L N -1.135 120.091 121.223 0.006 0.000 2.717 91 L HA 0.270 4.611 4.340 0.001 0.000 0.239 91 L C 0.625 177.578 176.870 0.138 0.000 1.086 91 L CA 0.245 55.104 54.840 0.033 0.000 0.897 91 L CB 0.306 42.406 42.059 0.069 0.000 1.214 91 L HN 0.108 nan 8.230 nan 0.000 0.508 92 I N 1.384 121.968 120.570 0.024 0.000 2.359 92 I HA 0.327 4.498 4.170 0.001 0.000 0.294 92 I C -2.110 174.037 176.117 0.049 0.000 0.987 92 I CA -2.489 58.823 61.300 0.021 0.000 1.225 92 I CB 1.071 38.967 38.000 -0.174 0.000 1.366 92 I HN -0.299 nan 8.210 nan 0.000 0.466 93 P HA -0.027 nan 4.420 nan 0.000 0.266 93 P C 0.713 178.095 177.300 0.137 0.000 1.193 93 P CA 0.221 63.398 63.100 0.128 0.000 0.770 93 P CB 0.915 32.721 31.700 0.177 0.000 0.836 94 E N 3.129 123.388 120.200 0.099 0.000 2.106 94 E HA -0.193 4.157 4.350 0.001 0.000 0.192 94 E C 1.149 177.812 176.600 0.105 0.000 0.984 94 E CA 1.590 58.037 56.400 0.079 0.000 0.806 94 E CB -0.648 29.079 29.700 0.045 0.000 0.750 94 E HN 0.404 nan 8.360 nan 0.000 0.458 95 N N -0.327 118.449 118.700 0.127 0.000 2.449 95 N HA -0.098 4.643 4.740 0.001 0.000 0.191 95 N C 1.248 176.849 175.510 0.151 0.000 1.161 95 N CA 0.343 53.472 53.050 0.132 0.000 0.863 95 N CB -1.130 37.436 38.487 0.133 0.000 0.980 95 N HN 0.323 nan 8.380 nan 0.000 0.458 96 W N 1.810 123.117 121.300 0.010 0.000 2.325 96 W HA 0.026 4.687 4.660 0.001 0.000 0.299 96 W C 0.700 177.235 176.519 0.027 0.000 1.215 96 W CA 2.266 59.629 57.345 0.029 0.000 1.244 96 W CB -0.088 29.395 29.460 0.038 0.000 1.140 96 W HN 0.334 nan 8.180 nan 0.000 0.523 97 G N -2.524 106.214 108.800 -0.104 0.000 2.353 97 G HA2 0.409 4.369 3.960 0.001 0.000 0.424 97 G HA3 0.409 4.369 3.960 0.001 0.000 0.424 97 G C 0.156 174.983 174.900 -0.122 0.000 1.320 97 G CA -0.117 44.753 45.100 -0.383 0.000 0.995 97 G HN 1.104 nan 8.290 nan 0.000 0.580 98 G N -1.867 106.884 108.800 -0.080 0.000 2.155 98 G HA2 0.098 4.058 3.960 0.001 0.000 0.130 98 G HA3 0.098 4.058 3.960 0.001 0.000 0.130 98 G C 0.237 175.047 174.900 -0.151 0.000 1.027 98 G CA 0.289 45.364 45.100 -0.042 0.000 0.705 98 G HN 1.484 nan 8.290 nan 0.000 0.496 99 Y N -0.479 119.833 120.300 0.021 0.000 2.712 99 Y HA 0.287 4.837 4.550 0.001 0.000 0.333 99 Y C 1.565 177.449 175.900 -0.027 0.000 1.225 99 Y CA 0.783 58.882 58.100 -0.002 0.000 1.499 99 Y CB 1.384 39.860 38.460 0.027 0.000 1.288 99 Y HN -0.028 nan 8.280 nan 0.000 0.575 100 V N 2.361 122.300 119.914 0.040 0.000 3.644 100 V HA -0.123 3.997 4.120 0.001 0.000 0.267 100 V C 1.831 177.956 176.094 0.053 0.000 1.277 100 V CA 1.379 63.606 62.300 -0.123 0.000 1.096 100 V CB -0.304 31.119 31.823 -0.666 0.000 0.828 100 V HN 1.099 nan 8.190 nan 0.000 0.446 101 T N -0.605 113.993 114.554 0.073 0.000 2.708 101 T HA -0.088 4.263 4.350 0.001 0.000 0.266 101 T C -0.030 174.684 174.700 0.022 0.000 1.037 101 T CA 1.668 63.795 62.100 0.045 0.000 1.146 101 T CB -1.584 67.297 68.868 0.021 0.000 0.865 101 T HN 0.402 nan 8.240 nan 0.000 0.435 102 P HA -0.038 nan 4.420 nan 0.000 0.218 102 P C 0.716 177.854 177.300 -0.270 0.000 1.148 102 P CA 1.090 64.071 63.100 -0.198 0.000 0.822 102 P CB -0.324 31.180 31.700 -0.327 0.000 0.784 103 W N -0.424 120.866 121.300 -0.016 0.000 2.409 103 W HA -0.076 4.584 4.660 0.001 0.000 0.299 103 W C 2.389 178.939 176.519 0.052 0.000 1.203 103 W CA 0.945 58.301 57.345 0.018 0.000 1.298 103 W CB -1.353 28.117 29.460 0.018 0.000 1.127 103 W HN -0.192 nan 8.180 nan 0.000 0.528 104 V N 0.143 120.206 119.914 0.248 0.000 2.548 104 V HA -0.205 3.915 4.120 0.001 0.000 0.249 104 V C 2.052 178.199 176.094 0.088 0.000 1.055 104 V CA 2.516 64.924 62.300 0.181 0.000 1.065 104 V CB -1.257 30.664 31.823 0.164 0.000 0.681 104 V HN 0.274 nan 8.190 nan 0.000 0.462 105 T N -1.885 112.692 114.554 0.037 0.000 2.915 105 T HA -0.157 4.193 4.350 0.001 0.000 0.269 105 T C 1.744 176.442 174.700 -0.003 0.000 1.071 105 T CA 1.644 63.746 62.100 0.003 0.000 1.132 105 T CB -0.390 68.464 68.868 -0.024 0.000 0.878 105 T HN 0.604 nan 8.240 nan 0.000 0.479 106 E N 1.292 121.486 120.200 -0.009 0.000 2.072 106 E HA 0.070 4.421 4.350 0.001 0.000 0.190 106 E C 1.982 178.612 176.600 0.049 0.000 0.982 106 E CA 0.762 57.157 56.400 -0.008 0.000 0.803 106 E CB -0.561 29.102 29.700 -0.061 0.000 0.755 106 E HN 0.637 nan 8.360 nan 0.000 0.453 107 I N 0.094 120.723 120.570 0.098 0.000 2.226 107 I HA -0.263 3.907 4.170 0.001 0.000 0.245 107 I C 2.455 178.605 176.117 0.056 0.000 1.100 107 I CA 1.240 62.598 61.300 0.097 0.000 1.374 107 I CB -0.427 37.650 38.000 0.127 0.000 1.057 107 I HN 0.156 nan 8.210 nan 0.000 0.413 108 S N 0.838 116.566 115.700 0.045 0.000 2.383 108 S HA -0.221 4.249 4.470 0.001 0.000 0.229 108 S C 1.620 176.229 174.600 0.015 0.000 1.030 108 S CA 2.210 60.423 58.200 0.023 0.000 1.002 108 S CB -0.404 62.805 63.200 0.014 0.000 0.829 108 S HN 0.539 nan 8.310 nan 0.000 0.467 109 N N -0.543 118.166 118.700 0.015 0.000 2.454 109 N HA 0.186 4.927 4.740 0.001 0.000 0.177 109 N C 0.748 176.266 175.510 0.014 0.000 1.049 109 N CA 0.496 53.551 53.050 0.009 0.000 0.887 109 N CB 0.220 38.707 38.487 -0.001 0.000 1.095 109 N HN 0.305 nan 8.380 nan 0.000 0.446 110 N N -0.082 118.632 118.700 0.024 0.000 2.129 110 N HA 0.180 4.920 4.740 0.001 0.000 0.222 110 N C -0.372 175.163 175.510 0.042 0.000 1.303 110 N CA 0.160 53.227 53.050 0.029 0.000 0.897 110 N CB 1.216 39.719 38.487 0.026 0.000 1.093 110 N HN 0.050 nan 8.380 nan 0.000 0.501 111 L N 1.371 122.624 121.223 0.049 0.000 2.923 111 L HA 0.365 4.705 4.340 0.001 0.000 0.231 111 L C 0.939 177.830 176.870 0.035 0.000 1.300 111 L CA -0.178 54.693 54.840 0.053 0.000 1.184 111 L CB 0.322 42.423 42.059 0.071 0.000 1.511 111 L HN -0.295 nan 8.230 nan 0.000 0.448 112 R N 0.012 120.528 120.500 0.027 0.000 2.366 112 R HA -0.092 4.249 4.340 0.001 0.000 0.201 112 R C 1.490 177.798 176.300 0.014 0.000 1.057 112 R CA 0.508 56.619 56.100 0.018 0.000 1.086 112 R CB -0.211 30.098 30.300 0.015 0.000 0.914 112 R HN 0.361 nan 8.270 nan 0.000 0.476 113 Q N -0.962 118.847 119.800 0.015 0.000 2.189 113 Q HA 0.199 4.539 4.340 0.001 0.000 0.223 113 Q C -0.758 175.243 176.000 0.002 0.000 0.828 113 Q CA -0.164 55.644 55.803 0.009 0.000 0.967 113 Q CB 0.570 29.314 28.738 0.011 0.000 1.139 113 Q HN 0.095 nan 8.270 nan 0.000 0.497 114 L N 1.823 123.048 121.223 0.003 0.000 2.410 114 L HA 0.105 4.445 4.340 0.001 0.000 0.273 114 L C 0.756 177.617 176.870 -0.016 0.000 1.144 114 L CA 0.903 55.738 54.840 -0.009 0.000 0.863 114 L CB 0.727 42.784 42.059 -0.003 0.000 1.140 114 L HN 0.201 nan 8.230 nan 0.000 0.463 115 K N 1.421 121.806 120.400 -0.024 0.000 2.412 115 K HA 0.249 4.570 4.320 0.001 0.000 0.202 115 K C 0.144 176.720 176.600 -0.040 0.000 1.102 115 K CA -0.064 56.207 56.287 -0.026 0.000 1.027 115 K CB 0.529 33.018 32.500 -0.019 0.000 0.931 115 K HN 0.425 nan 8.250 nan 0.000 0.557 116 S N 0.690 116.358 115.700 -0.053 0.000 2.614 116 S HA 0.475 4.945 4.470 0.001 0.000 0.275 116 S C -1.501 173.029 174.600 -0.117 0.000 1.161 116 S CA -0.563 57.594 58.200 -0.073 0.000 0.969 116 S CB 1.874 65.050 63.200 -0.040 0.000 1.059 116 S HN 0.032 nan 8.310 nan 0.000 0.482 117 V N 5.169 124.969 119.914 -0.190 0.000 2.588 117 V HA 0.510 4.630 4.120 0.001 0.000 0.304 117 V C -0.641 175.221 176.094 -0.386 0.000 1.042 117 V CA -0.691 61.410 62.300 -0.332 0.000 0.877 117 V CB 1.668 33.194 31.823 -0.496 0.000 0.996 117 V HN 1.003 nan 8.190 nan 0.000 0.425 118 H N 4.608 123.403 119.070 -0.458 0.000 2.708 118 H HA 0.611 5.168 4.556 0.001 0.000 0.320 118 H C -1.555 173.589 175.328 -0.307 0.000 0.991 118 H CA -0.744 55.102 56.048 -0.336 0.000 1.243 118 H CB 0.849 30.518 29.762 -0.156 0.000 1.446 118 H HN 0.487 nan 8.280 nan 0.000 0.502 119 F N 3.506 123.575 119.950 0.199 0.000 2.421 119 F HA 0.418 4.945 4.527 0.001 0.000 0.337 119 F C 0.319 176.211 175.800 0.152 0.000 1.105 119 F CA -0.841 57.200 58.000 0.068 0.000 1.049 119 F CB 1.448 40.443 39.000 -0.007 0.000 1.139 119 F HN 0.475 nan 8.300 nan 0.000 0.479 120 R N 2.330 122.947 120.500 0.195 0.000 2.502 120 R HA 0.500 4.841 4.340 0.001 0.000 0.300 120 R C -0.300 176.018 176.300 0.029 0.000 0.984 120 R CA -0.626 55.533 56.100 0.097 0.000 0.882 120 R CB 0.731 31.000 30.300 -0.052 0.000 1.180 120 R HN 0.736 nan 8.270 nan 0.000 0.444 121 R N 3.148 123.670 120.500 0.037 0.000 3.336 121 R HA -0.190 4.150 4.340 0.001 0.000 0.260 121 R C -0.573 175.737 176.300 0.017 0.000 1.032 121 R CA 1.079 57.182 56.100 0.006 0.000 0.693 121 R CB -1.281 28.994 30.300 -0.043 0.000 1.134 121 R HN 0.580 nan 8.270 nan 0.000 0.433 122 M N 0.317 119.930 119.600 0.022 0.000 2.821 122 M HA 0.508 4.989 4.480 0.001 0.000 0.304 122 M C 0.316 176.598 176.300 -0.030 0.000 1.233 122 M CA -1.124 54.155 55.300 -0.034 0.000 0.851 122 M CB 1.602 34.123 32.600 -0.131 0.000 1.723 122 M HN -0.091 nan 8.290 nan 0.000 0.493 123 I N 2.489 123.004 120.570 -0.092 0.000 2.304 123 I HA 0.336 4.506 4.170 0.001 0.000 0.291 123 I C -0.616 175.505 176.117 0.006 0.000 1.018 123 I CA -0.519 60.756 61.300 -0.041 0.000 1.260 123 I CB 0.563 38.459 38.000 -0.174 0.000 1.390 123 I HN 0.263 nan 8.210 nan 0.000 0.475 124 V N 5.796 125.770 119.914 0.099 0.000 2.407 124 V HA 0.307 4.428 4.120 0.001 0.000 0.291 124 V C 0.491 176.700 176.094 0.192 0.000 1.018 124 V CA -0.539 61.797 62.300 0.060 0.000 0.842 124 V CB 1.746 33.545 31.823 -0.040 0.000 0.996 124 V HN 0.899 nan 8.190 nan 0.000 0.426 125 S N 2.085 117.866 115.700 0.135 0.000 2.632 125 S HA 0.292 4.763 4.470 0.001 0.000 0.271 125 S C 0.706 175.385 174.600 0.133 0.000 1.260 125 S CA -0.465 57.827 58.200 0.153 0.000 1.010 125 S CB 1.479 64.746 63.200 0.112 0.000 0.965 125 S HN 0.619 nan 8.310 nan 0.000 0.534 126 D N 0.363 120.847 120.400 0.141 0.000 2.123 126 D HA -0.093 4.547 4.640 0.001 0.000 0.196 126 D C 1.703 178.045 176.300 0.070 0.000 0.992 126 D CA 1.117 55.185 54.000 0.113 0.000 0.833 126 D CB -0.365 40.497 40.800 0.103 0.000 0.954 126 D HN 0.494 nan 8.370 nan 0.000 0.455 127 L N 1.376 122.635 121.223 0.060 0.000 1.994 127 L HA -0.172 4.168 4.340 0.001 0.000 0.208 127 L C 1.515 178.404 176.870 0.032 0.000 1.071 127 L CA 2.141 57.005 54.840 0.039 0.000 0.745 127 L CB -0.932 41.146 42.059 0.031 0.000 0.892 127 L HN -0.007 nan 8.230 nan 0.000 0.431 128 D N -0.347 120.075 120.400 0.038 0.000 2.218 128 D HA -0.242 4.398 4.640 0.001 0.000 0.204 128 D C 2.034 178.358 176.300 0.040 0.000 0.976 128 D CA 1.878 55.899 54.000 0.035 0.000 0.853 128 D CB -0.787 40.032 40.800 0.032 0.000 0.939 128 D HN 0.609 nan 8.370 nan 0.000 0.481 129 L N -1.797 119.445 121.223 0.031 0.000 2.375 129 L HA 0.227 4.567 4.340 0.001 0.000 0.215 129 L C 1.811 178.690 176.870 0.014 0.000 1.108 129 L CA 1.086 55.938 54.840 0.021 0.000 0.830 129 L CB -0.499 41.545 42.059 -0.026 0.000 0.959 129 L HN -0.185 nan 8.230 nan 0.000 0.457 130 D N 0.931 121.343 120.400 0.020 0.000 2.116 130 D HA -0.248 4.392 4.640 0.001 0.000 0.193 130 D C 2.317 178.595 176.300 -0.037 0.000 0.998 130 D CA 1.793 55.797 54.000 0.007 0.000 0.836 130 D CB 0.079 40.892 40.800 0.021 0.000 0.951 130 D HN 0.273 nan 8.370 nan 0.000 0.449 131 R N -0.193 120.297 120.500 -0.017 0.000 2.081 131 R HA -0.072 4.268 4.340 0.001 0.000 0.235 131 R C 2.469 178.756 176.300 -0.020 0.000 1.131 131 R CA 0.771 56.857 56.100 -0.023 0.000 0.960 131 R CB -0.484 29.817 30.300 0.001 0.000 0.856 131 R HN 0.336 nan 8.270 nan 0.000 0.436 132 L N 0.406 121.635 121.223 0.010 0.000 1.994 132 L HA -0.202 4.138 4.340 0.001 0.000 0.208 132 L C 2.404 179.268 176.870 -0.010 0.000 1.071 132 L CA 1.765 56.620 54.840 0.025 0.000 0.745 132 L CB -0.637 41.459 42.059 0.063 0.000 0.892 132 L HN 0.238 nan 8.230 nan 0.000 0.431 133 A N 0.190 122.997 122.820 -0.022 0.000 1.873 133 A HA -0.299 4.022 4.320 0.001 0.000 0.218 133 A C 2.235 179.754 177.584 -0.108 0.000 1.193 133 A CA 2.332 54.353 52.037 -0.027 0.000 0.629 133 A CB -0.544 18.473 19.000 0.028 0.000 0.826 133 A HN 0.467 nan 8.150 nan 0.000 0.447 134 K N -0.530 119.723 120.400 -0.245 0.000 2.026 134 K HA -0.033 4.287 4.320 0.001 0.000 0.208 134 K C 2.318 178.844 176.600 -0.122 0.000 1.048 134 K CA 1.172 57.280 56.287 -0.298 0.000 0.929 134 K CB -0.359 31.950 32.500 -0.319 0.000 0.713 134 K HN 0.448 nan 8.250 nan 0.000 0.439 135 A N 0.991 123.766 122.820 -0.075 0.000 1.972 135 A HA -0.144 4.177 4.320 0.001 0.000 0.219 135 A C 2.068 179.642 177.584 -0.018 0.000 1.169 135 A CA 1.606 53.623 52.037 -0.034 0.000 0.635 135 A CB -0.171 18.821 19.000 -0.013 0.000 0.810 135 A HN 0.090 nan 8.150 nan 0.000 0.446 136 R N -2.357 118.134 120.500 -0.016 0.000 2.287 136 R HA 0.468 4.808 4.340 0.001 0.000 0.197 136 R C 1.292 177.593 176.300 0.002 0.000 0.900 136 R CA 0.988 57.086 56.100 -0.004 0.000 1.052 136 R CB -0.413 29.886 30.300 -0.003 0.000 1.117 136 R HN 0.600 nan 8.270 nan 0.000 0.568 137 A N 0.929 123.752 122.820 0.006 0.000 5.468 137 A HA -0.408 3.912 4.320 0.001 0.000 0.338 137 A C 1.269 178.872 177.584 0.031 0.000 1.722 137 A CA 1.952 54.010 52.037 0.035 0.000 0.740 137 A CB -1.630 17.392 19.000 0.037 0.000 1.424 137 A HN 0.397 nan 8.150 nan 0.000 0.408 138 D N -0.498 119.921 120.400 0.031 0.000 2.190 138 D HA -0.068 4.573 4.640 0.001 0.000 0.200 138 D C 1.344 177.651 176.300 0.012 0.000 0.992 138 D CA 1.637 55.651 54.000 0.022 0.000 0.854 138 D CB -0.465 40.346 40.800 0.019 0.000 0.936 138 D HN 0.513 nan 8.370 nan 0.000 0.462 139 D N -0.406 119.999 120.400 0.008 0.000 2.264 139 D HA -0.065 4.575 4.640 0.001 0.000 0.208 139 D C 0.635 176.933 176.300 -0.005 0.000 0.966 139 D CA 0.078 54.079 54.000 0.001 0.000 0.864 139 D CB -0.102 40.698 40.800 0.000 0.000 0.933 139 D HN 0.162 nan 8.370 nan 0.000 0.499 140 L N 1.518 122.738 121.223 -0.005 0.000 2.515 140 L HA 0.034 4.375 4.340 0.001 0.000 0.281 140 L C 1.080 177.941 176.870 -0.016 0.000 1.131 140 L CA 0.393 55.224 54.840 -0.016 0.000 0.905 140 L CB 0.260 42.309 42.059 -0.017 0.000 1.246 140 L HN -0.092 nan 8.230 nan 0.000 0.463 141 E N 1.557 121.744 120.200 -0.022 0.000 2.140 141 E HA 0.008 4.359 4.350 0.001 0.000 0.191 141 E C 0.254 176.837 176.600 -0.028 0.000 0.973 141 E CA 0.800 57.189 56.400 -0.019 0.000 0.829 141 E CB 0.400 30.089 29.700 -0.018 0.000 0.781 141 E HN 0.668 nan 8.360 nan 0.000 0.466 142 T N -0.150 114.377 114.554 -0.045 0.000 2.912 142 T HA 0.504 4.854 4.350 0.001 0.000 0.299 142 T C -1.799 172.840 174.700 -0.101 0.000 1.052 142 T CA -0.884 61.177 62.100 -0.064 0.000 0.996 142 T CB 1.539 70.370 68.868 -0.062 0.000 1.070 142 T HN -0.019 nan 8.240 nan 0.000 0.465 143 L N 3.447 124.599 121.223 -0.119 0.000 2.482 143 L HA 0.651 4.991 4.340 0.001 0.000 0.269 143 L C -1.275 175.479 176.870 -0.193 0.000 0.967 143 L CA -0.339 54.398 54.840 -0.172 0.000 0.851 143 L CB 1.642 43.618 42.059 -0.139 0.000 1.242 143 L HN 0.723 nan 8.230 nan 0.000 0.404 144 K N 6.972 127.208 120.400 -0.273 0.000 2.449 144 K HA 0.466 4.787 4.320 0.001 0.000 0.257 144 K C -1.036 175.445 176.600 -0.198 0.000 0.989 144 K CA -0.526 55.576 56.287 -0.308 0.000 0.916 144 K CB 1.512 33.620 32.500 -0.653 0.000 1.136 144 K HN 0.592 nan 8.250 nan 0.000 0.439 145 L N 3.263 124.430 121.223 -0.095 0.000 2.387 145 L HA 0.126 4.467 4.340 0.001 0.000 0.267 145 L C -0.016 176.907 176.870 0.088 0.000 1.197 145 L CA -0.399 54.454 54.840 0.021 0.000 1.070 145 L CB -0.227 41.789 42.059 -0.072 0.000 1.349 145 L HN 0.501 nan 8.230 nan 0.000 0.422 146 D N 4.673 125.141 120.400 0.114 0.000 2.396 146 D HA 0.129 4.769 4.640 0.001 0.000 0.225 146 D C 0.369 176.744 176.300 0.125 0.000 1.121 146 D CA -0.322 53.748 54.000 0.117 0.000 0.853 146 D CB 0.564 41.493 40.800 0.216 0.000 1.043 146 D HN 0.315 nan 8.370 nan 0.000 0.500 147 K N 1.617 122.078 120.400 0.101 0.000 3.035 147 K HA -0.177 4.144 4.320 0.001 0.000 0.262 147 K C -0.182 176.468 176.600 0.084 0.000 1.024 147 K CA 0.453 56.777 56.287 0.062 0.000 0.748 147 K CB -2.398 30.108 32.500 0.009 0.000 1.247 147 K HN 0.425 nan 8.250 nan 0.000 0.482 148 C N 0.087 119.485 119.300 0.163 0.000 2.328 148 C HA 0.738 5.198 4.460 0.001 0.000 0.378 148 C C 1.096 176.232 174.990 0.244 0.000 1.249 148 C CA -0.231 58.904 59.018 0.196 0.000 2.204 148 C CB 1.446 29.328 27.740 0.235 0.000 2.218 148 C HN 0.608 nan 8.230 nan 0.000 0.564 149 S N -1.469 114.365 115.700 0.223 0.000 2.638 149 S HA 0.769 5.240 4.470 0.001 0.000 0.274 149 S C -0.007 174.702 174.600 0.181 0.000 1.157 149 S CA 0.259 58.524 58.200 0.108 0.000 0.826 149 S CB 1.130 64.334 63.200 0.006 0.000 1.139 149 S HN 2.510 nan 8.310 nan 0.000 0.474 150 G N 0.000 108.823 108.800 0.038 0.000 2.157 150 G HA2 -0.119 3.841 3.960 0.001 0.000 0.239 150 G HA3 -0.119 3.841 3.960 0.001 0.000 0.239 150 G C -0.241 174.768 174.900 0.180 0.000 0.982 150 G CA 0.299 45.458 45.100 0.099 0.000 0.650 150 G HN 1.559 nan 8.290 nan 0.000 0.527 151 F N -0.092 119.903 119.950 0.075 0.000 2.697 151 F HA 0.954 5.481 4.527 0.001 0.000 0.386 151 F C 0.386 176.236 175.800 0.084 0.000 1.154 151 F CA -0.398 57.639 58.000 0.062 0.000 1.108 151 F CB 1.117 40.138 39.000 0.035 0.000 1.429 151 F HN 0.535 nan 8.300 nan 0.000 0.509 152 T N -4.140 110.540 114.554 0.209 0.000 2.754 152 T HA 0.284 4.634 4.350 0.001 0.000 0.296 152 T C 0.698 175.440 174.700 0.069 0.000 1.205 152 T CA -0.009 62.133 62.100 0.070 0.000 1.009 152 T CB 0.765 69.673 68.868 0.066 0.000 1.368 152 T HN 1.028 nan 8.240 nan 0.000 0.509 153 T N -1.152 113.401 114.554 -0.001 0.000 2.849 153 T HA -0.120 4.231 4.350 0.001 0.000 0.270 153 T C 1.175 175.899 174.700 0.041 0.000 1.066 153 T CA 1.900 63.980 62.100 -0.032 0.000 1.130 153 T CB -0.958 67.986 68.868 0.127 0.000 0.864 153 T HN 0.617 nan 8.240 nan 0.000 0.481 154 D N 1.921 122.365 120.400 0.073 0.000 2.104 154 D HA -0.017 4.624 4.640 0.001 0.000 0.194 154 D C 2.441 178.784 176.300 0.073 0.000 0.994 154 D CA 1.530 55.578 54.000 0.080 0.000 0.830 154 D CB -1.144 39.701 40.800 0.076 0.000 0.959 154 D HN 0.564 nan 8.370 nan 0.000 0.452 155 G N 1.195 110.041 108.800 0.076 0.000 2.514 155 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 155 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 155 G C 1.758 176.654 174.900 -0.007 0.000 1.198 155 G CA 0.810 45.939 45.100 0.048 0.000 0.780 155 G HN 0.258 nan 8.290 nan 0.000 0.565 156 L N -0.382 120.795 121.223 -0.078 0.000 1.997 156 L HA -0.174 4.166 4.340 0.001 0.000 0.216 156 L C 2.808 179.686 176.870 0.012 0.000 1.074 156 L CA 1.179 55.913 54.840 -0.177 0.000 0.763 156 L CB -0.715 41.011 42.059 -0.554 0.000 0.890 156 L HN 0.230 nan 8.230 nan 0.000 0.434 157 L N -0.266 121.015 121.223 0.096 0.000 2.013 157 L HA -0.260 4.081 4.340 0.001 0.000 0.212 157 L C 2.818 179.751 176.870 0.105 0.000 1.073 157 L CA 2.149 57.080 54.840 0.152 0.000 0.753 157 L CB -0.867 41.277 42.059 0.142 0.000 0.890 157 L HN 0.202 nan 8.230 nan 0.000 0.432 158 S N -0.716 115.046 115.700 0.104 0.000 2.370 158 S HA -0.200 4.271 4.470 0.001 0.000 0.226 158 S C 2.043 176.757 174.600 0.191 0.000 1.033 158 S CA 1.687 59.987 58.200 0.167 0.000 1.011 158 S CB -0.554 62.740 63.200 0.155 0.000 0.852 158 S HN 0.592 nan 8.310 nan 0.000 0.457 159 I N 0.361 120.991 120.570 0.099 0.000 2.617 159 I HA 0.055 4.225 4.170 0.001 0.000 0.256 159 I C 1.881 178.047 176.117 0.082 0.000 1.167 159 I CA 0.974 62.323 61.300 0.082 0.000 1.469 159 I CB -0.369 37.640 38.000 0.014 0.000 1.098 159 I HN 0.217 nan 8.210 nan 0.000 0.436 160 V N -0.586 119.381 119.914 0.088 0.000 2.871 160 V HA -0.046 4.075 4.120 0.001 0.000 0.256 160 V C 2.424 178.544 176.094 0.042 0.000 1.082 160 V CA 1.576 63.931 62.300 0.092 0.000 1.105 160 V CB -1.846 30.073 31.823 0.160 0.000 0.713 160 V HN 0.657 nan 8.190 nan 0.000 0.473 161 T N -2.280 112.271 114.554 -0.005 0.000 3.009 161 T HA 0.001 4.352 4.350 0.001 0.000 0.258 161 T C 1.705 176.293 174.700 -0.187 0.000 1.063 161 T CA 1.423 63.443 62.100 -0.133 0.000 1.139 161 T CB -0.514 68.216 68.868 -0.230 0.000 0.890 161 T HN 0.582 nan 8.240 nan 0.000 0.471 162 H N -0.201 118.867 119.070 -0.004 0.000 2.520 162 H HA 0.366 4.923 4.556 0.001 0.000 0.279 162 H C 0.454 175.779 175.328 -0.006 0.000 0.990 162 H CA 0.213 56.256 56.048 -0.008 0.000 1.288 162 H CB 0.224 29.984 29.762 -0.002 0.000 1.446 162 H HN 0.350 nan 8.280 nan 0.000 0.538 163 C N 2.407 121.776 119.300 0.115 0.000 2.136 163 C HA 0.262 4.722 4.460 0.001 0.000 0.381 163 C C 1.270 176.284 174.990 0.040 0.000 1.039 163 C CA -0.597 58.458 59.018 0.063 0.000 1.491 163 C CB -0.764 27.004 27.740 0.047 0.000 1.663 163 C HN 0.555 nan 8.230 nan 0.000 0.470 164 R N 0.839 121.356 120.500 0.029 0.000 2.299 164 R HA 0.011 4.352 4.340 0.001 0.000 0.197 164 R C 1.139 177.455 176.300 0.026 0.000 0.971 164 R CA 0.634 56.746 56.100 0.020 0.000 1.030 164 R CB 0.194 30.496 30.300 0.004 0.000 0.932 164 R HN 0.610 nan 8.270 nan 0.000 0.477 165 K N 0.763 121.177 120.400 0.023 0.000 2.414 165 K HA 0.272 4.593 4.320 0.001 0.000 0.204 165 K C -0.036 176.573 176.600 0.015 0.000 1.026 165 K CA -0.217 56.081 56.287 0.018 0.000 1.108 165 K CB 0.675 33.183 32.500 0.012 0.000 0.855 165 K HN 0.029 nan 8.250 nan 0.000 0.517 166 I N 2.279 122.861 120.570 0.020 0.000 2.919 166 I HA -0.222 3.948 4.170 0.001 0.000 0.299 166 I C 1.168 177.294 176.117 0.015 0.000 1.221 166 I CA 0.944 62.253 61.300 0.015 0.000 1.424 166 I CB 0.328 38.343 38.000 0.025 0.000 1.358 166 I HN 0.181 nan 8.210 nan 0.000 0.551 167 K N 2.992 123.394 120.400 0.004 0.000 2.202 167 K HA 0.024 4.345 4.320 0.001 0.000 0.201 167 K C 0.748 177.350 176.600 0.003 0.000 1.051 167 K CA 0.712 57.000 56.287 0.003 0.000 0.977 167 K CB 0.296 32.792 32.500 -0.006 0.000 0.792 167 K HN 0.734 nan 8.250 nan 0.000 0.469 168 T N 0.388 114.937 114.554 -0.008 0.000 2.879 168 T HA 0.500 4.850 4.350 0.001 0.000 0.290 168 T C -1.779 172.909 174.700 -0.019 0.000 0.993 168 T CA -0.849 61.243 62.100 -0.014 0.000 0.975 168 T CB 1.157 70.006 68.868 -0.032 0.000 0.981 168 T HN -0.026 nan 8.240 nan 0.000 0.439 169 L N 5.581 126.807 121.223 0.005 0.000 2.406 169 L HA 0.874 5.215 4.340 0.001 0.000 0.272 169 L C -1.890 174.998 176.870 0.030 0.000 0.980 169 L CA -0.695 54.152 54.840 0.012 0.000 0.831 169 L CB 1.667 43.763 42.059 0.062 0.000 1.253 169 L HN 0.857 nan 8.230 nan 0.000 0.406 170 L N 5.237 126.452 121.223 -0.012 0.000 2.431 170 L HA 0.577 4.918 4.340 0.001 0.000 0.266 170 L C -0.595 176.296 176.870 0.036 0.000 0.978 170 L CA -0.267 54.579 54.840 0.010 0.000 0.822 170 L CB 2.181 44.199 42.059 -0.068 0.000 1.310 170 L HN 0.895 nan 8.230 nan 0.000 0.409 171 M N 2.349 122.034 119.600 0.142 0.000 2.268 171 M HA 0.220 4.701 4.480 0.001 0.000 0.355 171 M C 0.091 176.540 176.300 0.249 0.000 0.938 171 M CA -0.159 55.269 55.300 0.213 0.000 1.025 171 M CB 0.759 33.549 32.600 0.316 0.000 1.773 171 M HN 0.593 nan 8.290 nan 0.000 0.613 172 E N 2.758 123.072 120.200 0.190 0.000 2.966 172 E HA -0.230 4.120 4.350 0.001 0.000 0.254 172 E C 0.233 176.908 176.600 0.125 0.000 0.923 172 E CA 0.946 57.450 56.400 0.173 0.000 0.960 172 E CB 0.197 29.982 29.700 0.141 0.000 0.901 172 E HN 0.395 nan 8.360 nan 0.000 0.525 173 E N 1.619 121.868 120.200 0.082 0.000 3.673 173 E HA -0.231 4.119 4.350 0.001 0.000 0.309 173 E C -0.854 175.753 176.600 0.012 0.000 0.819 173 E CA 0.714 57.113 56.400 -0.003 0.000 1.111 173 E CB -0.853 28.834 29.700 -0.022 0.000 1.561 173 E HN 0.447 nan 8.360 nan 0.000 0.450 174 S N -0.028 115.741 115.700 0.114 0.000 2.592 174 S HA 0.368 4.838 4.470 0.001 0.000 0.271 174 S C -0.212 174.352 174.600 -0.060 0.000 1.326 174 S CA 0.030 58.327 58.200 0.163 0.000 1.024 174 S CB 1.457 64.934 63.200 0.462 0.000 0.921 174 S HN 0.390 nan 8.310 nan 0.000 0.527 175 S N 2.392 117.977 115.700 -0.190 0.000 2.519 175 S HA 0.835 5.306 4.470 0.001 0.000 0.309 175 S C -0.699 173.504 174.600 -0.662 0.000 1.100 175 S CA -0.833 57.027 58.200 -0.566 0.000 1.059 175 S CB 0.398 63.366 63.200 -0.387 0.000 1.008 175 S HN 0.609 nan 8.310 nan 0.000 0.478 176 F N -0.790 118.806 119.950 -0.590 0.000 2.754 176 F HA 0.805 5.333 4.527 0.001 0.000 0.320 176 F C -0.439 175.093 175.800 -0.447 0.000 1.156 176 F CA -1.283 56.258 58.000 -0.765 0.000 0.950 176 F CB 0.963 39.246 39.000 -1.195 0.000 1.388 176 F HN 0.407 nan 8.300 nan 0.000 0.485 177 S N 0.371 116.053 115.700 -0.031 0.000 2.438 177 S HA 0.225 4.695 4.470 0.001 0.000 0.293 177 S C -0.699 173.982 174.600 0.135 0.000 1.141 177 S CA -0.562 57.638 58.200 0.001 0.000 1.080 177 S CB 0.648 63.838 63.200 -0.017 0.000 0.978 177 S HN 0.605 nan 8.310 nan 0.000 0.479 178 E N 3.013 123.285 120.200 0.121 0.000 2.081 178 E HA 0.203 4.554 4.350 0.001 0.000 0.281 178 E C 0.215 176.887 176.600 0.121 0.000 0.986 178 E CA -0.219 56.287 56.400 0.177 0.000 0.796 178 E CB 0.384 30.206 29.700 0.203 0.000 1.085 178 E HN 0.509 nan 8.360 nan 0.000 0.398 179 K N 2.852 123.327 120.400 0.125 0.000 2.308 179 K HA 0.075 4.395 4.320 0.001 0.000 0.197 179 K C -0.307 176.356 176.600 0.106 0.000 1.049 179 K CA 0.633 56.976 56.287 0.094 0.000 0.991 179 K CB 0.369 32.916 32.500 0.078 0.000 0.836 179 K HN 0.577 nan 8.250 nan 0.000 0.500 180 D N -2.973 117.519 120.400 0.154 0.000 2.992 180 D HA 0.101 4.742 4.640 0.001 0.000 0.349 180 D C 0.192 176.612 176.300 0.201 0.000 1.393 180 D CA -0.652 53.433 54.000 0.142 0.000 0.887 180 D CB 0.105 40.961 40.800 0.095 0.000 1.447 180 D HN -0.136 nan 8.370 nan 0.000 0.524 181 G N -1.415 107.441 108.800 0.092 0.000 3.228 181 G HA2 0.066 4.026 3.960 0.001 0.000 0.245 181 G HA3 0.066 4.026 3.960 0.001 0.000 0.245 181 G C 0.681 175.496 174.900 -0.141 0.000 1.051 181 G CA -0.114 44.961 45.100 -0.041 0.000 0.809 181 G HN 0.419 nan 8.290 nan 0.000 0.531 182 K N 0.809 121.211 120.400 0.003 0.000 2.152 182 K HA -0.151 4.169 4.320 0.001 0.000 0.206 182 K C 2.220 178.836 176.600 0.026 0.000 1.048 182 K CA 1.309 57.597 56.287 0.003 0.000 0.933 182 K CB -0.432 32.084 32.500 0.028 0.000 0.721 182 K HN 0.594 nan 8.250 nan 0.000 0.447 183 W N 2.157 123.453 121.300 -0.006 0.000 2.318 183 W HA -0.205 4.456 4.660 0.001 0.000 0.313 183 W C 1.518 178.016 176.519 -0.035 0.000 1.221 183 W CA 0.672 58.001 57.345 -0.028 0.000 1.266 183 W CB -1.119 28.302 29.460 -0.065 0.000 1.150 183 W HN 0.020 nan 8.180 nan 0.000 0.496 184 L N 0.479 120.934 121.223 -1.280 0.000 2.046 184 L HA -0.258 4.082 4.340 0.001 0.000 0.208 184 L C 2.995 179.616 176.870 -0.415 0.000 1.077 184 L CA 2.491 56.661 54.840 -1.117 0.000 0.747 184 L CB -0.835 40.451 42.059 -1.289 0.000 0.896 184 L HN 0.105 nan 8.230 nan 0.000 0.432 185 H N -0.514 118.344 119.070 -0.355 0.000 2.357 185 H HA -0.241 4.315 4.556 0.001 0.000 0.301 185 H C 2.123 177.398 175.328 -0.089 0.000 1.082 185 H CA 1.847 57.787 56.048 -0.181 0.000 1.342 185 H CB 0.278 29.959 29.762 -0.135 0.000 1.389 185 H HN 0.270 nan 8.280 nan 0.000 0.511 186 E N 0.324 120.585 120.200 0.102 0.000 2.153 186 E HA -0.136 4.215 4.350 0.001 0.000 0.194 186 E C 2.100 178.750 176.600 0.083 0.000 0.988 186 E CA 1.033 57.512 56.400 0.131 0.000 0.811 186 E CB -0.341 29.435 29.700 0.126 0.000 0.746 186 E HN 0.586 nan 8.360 nan 0.000 0.466 187 L N -0.295 120.936 121.223 0.013 0.000 2.005 187 L HA -0.130 4.211 4.340 0.001 0.000 0.207 187 L C 2.492 179.338 176.870 -0.041 0.000 1.072 187 L CA 1.123 55.970 54.840 0.012 0.000 0.744 187 L CB -0.646 41.416 42.059 0.005 0.000 0.895 187 L HN 0.291 nan 8.230 nan 0.000 0.433 188 A N -0.626 122.115 122.820 -0.133 0.000 1.873 188 A HA -0.315 4.006 4.320 0.001 0.000 0.218 188 A C 2.142 179.600 177.584 -0.211 0.000 1.193 188 A CA 1.976 53.900 52.037 -0.190 0.000 0.629 188 A CB -0.638 18.177 19.000 -0.308 0.000 0.826 188 A HN 0.512 nan 8.150 nan 0.000 0.447 189 Q N -2.286 117.359 119.800 -0.258 0.000 2.297 189 Q HA -0.103 4.237 4.340 0.001 0.000 0.204 189 Q C 1.170 176.886 176.000 -0.473 0.000 0.962 189 Q CA 1.235 56.832 55.803 -0.344 0.000 0.879 189 Q CB 0.030 28.582 28.738 -0.309 0.000 0.947 189 Q HN 0.863 nan 8.270 nan 0.000 0.462 190 H N -2.535 116.501 119.070 -0.057 0.000 3.643 190 H HA 0.159 4.716 4.556 0.001 0.000 0.256 190 H C -0.204 175.110 175.328 -0.023 0.000 1.107 190 H CA -0.176 55.853 56.048 -0.033 0.000 1.175 190 H CB 0.600 30.349 29.762 -0.021 0.000 1.519 190 H HN 0.092 nan 8.280 nan 0.000 0.565 191 N N 0.423 119.168 118.700 0.075 0.000 2.498 191 N HA 0.100 4.840 4.740 0.001 0.000 0.287 191 N C 0.529 176.051 175.510 0.019 0.000 1.097 191 N CA 0.297 53.377 53.050 0.049 0.000 0.973 191 N CB 1.673 40.190 38.487 0.049 0.000 1.153 191 N HN -0.118 nan 8.380 nan 0.000 0.472 192 T N -0.517 114.049 114.554 0.019 0.000 3.048 192 T HA 0.031 4.381 4.350 0.001 0.000 0.254 192 T C 1.314 176.018 174.700 0.008 0.000 0.942 192 T CA 0.203 62.307 62.100 0.007 0.000 0.931 192 T CB -0.041 68.830 68.868 0.005 0.000 1.220 192 T HN 0.618 nan 8.240 nan 0.000 0.503 193 S N 1.314 117.022 115.700 0.014 0.000 2.489 193 S HA 0.191 4.661 4.470 0.001 0.000 0.228 193 S C 0.726 175.333 174.600 0.013 0.000 0.995 193 S CA -0.215 57.992 58.200 0.011 0.000 0.934 193 S CB -0.398 62.809 63.200 0.012 0.000 0.771 193 S HN 0.218 nan 8.310 nan 0.000 0.522 194 L N 2.687 123.923 121.223 0.022 0.000 2.640 194 L HA 0.017 4.357 4.340 0.001 0.000 0.280 194 L C 1.085 177.968 176.870 0.023 0.000 1.229 194 L CA 0.937 55.795 54.840 0.030 0.000 0.919 194 L CB -0.090 41.996 42.059 0.046 0.000 1.168 194 L HN 0.253 nan 8.230 nan 0.000 0.496 195 E N 2.243 122.454 120.200 0.018 0.000 2.367 195 E HA 0.181 4.532 4.350 0.001 0.000 0.204 195 E C -0.759 175.850 176.600 0.014 0.000 0.840 195 E CA 0.135 56.542 56.400 0.011 0.000 1.051 195 E CB 1.142 30.841 29.700 -0.001 0.000 1.051 195 E HN 0.390 nan 8.360 nan 0.000 0.509 196 V N 1.598 121.519 119.914 0.012 0.000 2.623 196 V HA 0.517 4.638 4.120 0.001 0.000 0.304 196 V C -2.030 174.075 176.094 0.018 0.000 1.054 196 V CA -0.887 61.417 62.300 0.006 0.000 0.882 196 V CB 1.728 33.541 31.823 -0.018 0.000 1.002 196 V HN 0.037 nan 8.190 nan 0.000 0.424 197 L N 5.864 127.101 121.223 0.024 0.000 2.362 197 L HA 0.790 5.131 4.340 0.001 0.000 0.275 197 L C -0.950 175.904 176.870 -0.026 0.000 0.998 197 L CA -0.008 54.866 54.840 0.057 0.000 0.820 197 L CB 1.876 44.000 42.059 0.109 0.000 1.270 197 L HN 0.875 nan 8.230 nan 0.000 0.415 198 N N 4.458 123.173 118.700 0.026 0.000 2.571 198 N HA 0.351 5.092 4.740 0.001 0.000 0.286 198 N C -1.650 173.937 175.510 0.128 0.000 1.138 198 N CA -0.446 52.576 53.050 -0.047 0.000 0.859 198 N CB 0.623 39.090 38.487 -0.032 0.000 1.414 198 N HN 0.436 nan 8.380 nan 0.000 0.529 199 F N 2.702 122.741 119.950 0.148 0.000 2.542 199 F HA 0.392 4.920 4.527 0.001 0.000 0.323 199 F C 0.404 176.352 175.800 0.247 0.000 1.411 199 F CA -0.967 57.181 58.000 0.246 0.000 1.124 199 F CB -0.157 39.070 39.000 0.379 0.000 1.331 199 F HN 0.250 nan 8.300 nan 0.000 0.560 200 Y N 1.697 122.016 120.300 0.030 0.000 2.263 200 Y HA 0.193 4.744 4.550 0.001 0.000 0.292 200 Y C 0.857 176.734 175.900 -0.039 0.000 1.130 200 Y CA 1.175 59.231 58.100 -0.073 0.000 1.179 200 Y CB 0.231 38.632 38.460 -0.098 0.000 0.998 200 Y HN 0.443 nan 8.280 nan 0.000 0.532 201 M N 1.485 121.038 119.600 -0.077 0.000 3.106 201 M HA 0.231 4.711 4.480 0.001 0.000 0.213 201 M C -0.890 175.338 176.300 -0.120 0.000 1.117 201 M CA -0.043 55.095 55.300 -0.270 0.000 0.900 201 M CB 0.399 32.826 32.600 -0.289 0.000 1.339 201 M HN 0.154 nan 8.290 nan 0.000 0.542 202 T N -2.376 112.170 114.554 -0.014 0.000 2.952 202 T HA 0.512 4.862 4.350 0.001 0.000 0.305 202 T C -0.696 173.975 174.700 -0.048 0.000 1.064 202 T CA -1.014 61.081 62.100 -0.008 0.000 1.008 202 T CB 1.567 70.618 68.868 0.304 0.000 1.078 202 T HN 0.273 nan 8.240 nan 0.000 0.459 203 E N 2.960 122.996 120.200 -0.272 0.000 1.893 203 E HA 0.272 4.622 4.350 0.001 0.000 0.269 203 E C -1.203 175.247 176.600 -0.250 0.000 1.129 203 E CA -0.224 56.045 56.400 -0.219 0.000 0.904 203 E CB -0.099 29.442 29.700 -0.265 0.000 1.077 203 E HN 0.555 nan 8.360 nan 0.000 0.407 204 F N 0.768 120.738 119.950 0.033 0.000 2.444 204 F HA 0.411 4.939 4.527 0.001 0.000 0.342 204 F C 0.866 176.640 175.800 -0.043 0.000 1.121 204 F CA -0.701 57.323 58.000 0.041 0.000 0.997 204 F CB 1.945 40.935 39.000 -0.018 0.000 1.130 204 F HN 0.455 nan 8.300 nan 0.000 0.454 205 A N 2.825 125.750 122.820 0.175 0.000 2.508 205 A HA 0.267 4.587 4.320 0.001 0.000 0.250 205 A C 0.941 178.585 177.584 0.101 0.000 1.208 205 A CA -0.161 51.931 52.037 0.091 0.000 0.960 205 A CB 0.038 19.070 19.000 0.053 0.000 1.099 205 A HN 0.707 nan 8.150 nan 0.000 0.542 206 K N 0.716 121.203 120.400 0.145 0.000 2.438 206 K HA 0.320 4.641 4.320 0.001 0.000 0.205 206 K C -0.120 176.521 176.600 0.068 0.000 1.033 206 K CA -0.020 56.334 56.287 0.111 0.000 1.089 206 K CB 0.438 33.013 32.500 0.126 0.000 0.857 206 K HN 0.689 nan 8.250 nan 0.000 0.522 207 I N -2.042 118.554 120.570 0.043 0.000 2.460 207 I HA 0.379 4.549 4.170 0.001 0.000 0.298 207 I C -0.174 176.023 176.117 0.133 0.000 0.989 207 I CA -0.797 60.478 61.300 -0.042 0.000 1.173 207 I CB 1.916 39.756 38.000 -0.266 0.000 1.338 207 I HN -0.221 nan 8.210 nan 0.000 0.456 208 S N 6.118 121.865 115.700 0.078 0.000 2.475 208 S HA 0.412 4.883 4.470 0.001 0.000 0.281 208 S C -1.181 173.440 174.600 0.034 0.000 1.198 208 S CA -1.590 56.667 58.200 0.095 0.000 1.063 208 S CB 0.888 64.109 63.200 0.034 0.000 0.972 208 S HN 0.640 nan 8.310 nan 0.000 0.486 209 P HA -0.158 nan 4.420 nan 0.000 0.218 209 P C 1.011 178.152 177.300 -0.265 0.000 1.148 209 P CA 1.039 63.808 63.100 -0.551 0.000 0.822 209 P CB 0.120 31.406 31.700 -0.689 0.000 0.784 210 K N 0.314 120.632 120.400 -0.137 0.000 2.044 210 K HA -0.179 4.142 4.320 0.001 0.000 0.210 210 K C 1.752 178.299 176.600 -0.088 0.000 1.049 210 K CA 1.423 57.658 56.287 -0.087 0.000 0.927 210 K CB -1.123 31.349 32.500 -0.046 0.000 0.713 210 K HN 0.214 nan 8.250 nan 0.000 0.443 211 D N 1.050 121.395 120.400 -0.091 0.000 2.123 211 D HA -0.158 4.482 4.640 0.001 0.000 0.196 211 D C 1.963 178.202 176.300 -0.102 0.000 0.992 211 D CA 0.740 54.664 54.000 -0.127 0.000 0.833 211 D CB -0.196 40.516 40.800 -0.146 0.000 0.954 211 D HN 0.014 nan 8.370 nan 0.000 0.455 212 L N 1.390 122.558 121.223 -0.093 0.000 2.083 212 L HA -0.138 4.202 4.340 0.001 0.000 0.209 212 L C 2.123 179.048 176.870 0.091 0.000 1.083 212 L CA 1.741 56.552 54.840 -0.048 0.000 0.752 212 L CB -0.614 41.327 42.059 -0.197 0.000 0.899 212 L HN 0.021 nan 8.230 nan 0.000 0.433 213 E N -1.430 118.798 120.200 0.046 0.000 2.047 213 E HA -0.251 4.100 4.350 0.001 0.000 0.191 213 E C 2.044 178.661 176.600 0.028 0.000 0.987 213 E CA 1.536 58.001 56.400 0.108 0.000 0.799 213 E CB -0.226 29.483 29.700 0.016 0.000 0.752 213 E HN 0.540 nan 8.360 nan 0.000 0.449 214 T N -0.295 114.241 114.554 -0.030 0.000 2.929 214 T HA -0.077 4.274 4.350 0.001 0.000 0.271 214 T C 1.852 176.521 174.700 -0.052 0.000 1.085 214 T CA 1.010 63.073 62.100 -0.062 0.000 1.125 214 T CB -0.278 68.525 68.868 -0.107 0.000 0.874 214 T HN 0.226 nan 8.240 nan 0.000 0.494 215 I N 0.933 121.491 120.570 -0.020 0.000 2.333 215 I HA 0.036 4.206 4.170 0.001 0.000 0.246 215 I C 3.059 179.189 176.117 0.022 0.000 1.106 215 I CA 0.955 62.256 61.300 0.002 0.000 1.411 215 I CB -0.540 37.481 38.000 0.036 0.000 1.082 215 I HN 0.340 nan 8.210 nan 0.000 0.420 216 A N 0.696 123.548 122.820 0.052 0.000 1.972 216 A HA -0.227 4.094 4.320 0.001 0.000 0.219 216 A C 2.360 179.899 177.584 -0.074 0.000 1.169 216 A CA 1.562 53.582 52.037 -0.029 0.000 0.635 216 A CB -0.530 18.363 19.000 -0.178 0.000 0.810 216 A HN 0.295 nan 8.150 nan 0.000 0.446 217 R N -0.496 119.969 120.500 -0.059 0.000 2.090 217 R HA -0.051 4.290 4.340 0.001 0.000 0.228 217 R C 1.307 177.576 176.300 -0.053 0.000 1.110 217 R CA 1.582 57.643 56.100 -0.065 0.000 0.973 217 R CB -0.104 30.160 30.300 -0.061 0.000 0.869 217 R HN 0.482 nan 8.270 nan 0.000 0.440 218 N N -1.251 117.422 118.700 -0.045 0.000 2.392 218 N HA 0.037 4.777 4.740 0.001 0.000 0.177 218 N C -0.671 174.823 175.510 -0.027 0.000 1.066 218 N CA 0.408 53.435 53.050 -0.039 0.000 0.895 218 N CB 0.519 38.978 38.487 -0.045 0.000 0.988 218 N HN 0.096 nan 8.380 nan 0.000 0.457 219 C N 1.566 120.854 119.300 -0.020 0.000 2.184 219 C HA 0.385 4.845 4.460 0.001 0.000 0.328 219 C C 1.564 176.543 174.990 -0.017 0.000 1.081 219 C CA -0.874 58.138 59.018 -0.010 0.000 1.533 219 C CB 0.133 27.878 27.740 0.008 0.000 1.905 219 C HN 0.192 nan 8.230 nan 0.000 0.439 220 R N 1.145 121.633 120.500 -0.020 0.000 2.152 220 R HA -0.046 4.294 4.340 0.001 0.000 0.232 220 R C 1.749 178.037 176.300 -0.021 0.000 1.117 220 R CA 1.061 57.146 56.100 -0.025 0.000 0.981 220 R CB -0.202 30.084 30.300 -0.023 0.000 0.870 220 R HN 0.591 nan 8.270 nan 0.000 0.451 221 S N 0.133 115.825 115.700 -0.013 0.000 2.622 221 S HA 0.170 4.641 4.470 0.001 0.000 0.236 221 S C -0.220 174.378 174.600 -0.004 0.000 0.956 221 S CA -0.502 57.692 58.200 -0.010 0.000 0.971 221 S CB 0.006 63.201 63.200 -0.008 0.000 0.782 221 S HN 0.038 nan 8.310 nan 0.000 0.468 222 L N 2.358 123.580 121.223 -0.002 0.000 2.456 222 L HA 0.223 4.564 4.340 0.001 0.000 0.277 222 L C 0.721 177.600 176.870 0.016 0.000 1.124 222 L CA 0.578 55.427 54.840 0.014 0.000 0.880 222 L CB 0.482 42.555 42.059 0.023 0.000 1.192 222 L HN 0.026 nan 8.230 nan 0.000 0.463 223 V N 2.449 122.376 119.914 0.022 0.000 3.013 223 V HA 0.251 4.372 4.120 0.001 0.000 0.238 223 V C 0.693 176.809 176.094 0.037 0.000 1.161 223 V CA 0.711 63.022 62.300 0.020 0.000 1.170 223 V CB 0.637 32.462 31.823 0.004 0.000 0.917 223 V HN 0.757 nan 8.190 nan 0.000 0.478 224 S N 0.264 115.982 115.700 0.031 0.000 2.500 224 S HA 0.687 5.158 4.470 0.001 0.000 0.301 224 S C -1.262 173.354 174.600 0.025 0.000 1.092 224 S CA -0.362 57.852 58.200 0.023 0.000 1.030 224 S CB 1.711 64.896 63.200 -0.025 0.000 1.031 224 S HN 0.436 nan 8.310 nan 0.000 0.483 225 V N 5.045 124.975 119.914 0.028 0.000 2.668 225 V HA 0.702 4.822 4.120 0.001 0.000 0.304 225 V C -1.594 174.295 176.094 -0.341 0.000 1.071 225 V CA -0.610 61.645 62.300 -0.075 0.000 0.894 225 V CB 1.606 33.471 31.823 0.070 0.000 1.008 225 V HN 0.950 nan 8.190 nan 0.000 0.425 226 K N 4.569 124.696 120.400 -0.456 0.000 2.267 226 K HA 0.921 5.241 4.320 0.001 0.000 0.246 226 K C -1.335 174.880 176.600 -0.642 0.000 0.954 226 K CA -0.832 55.089 56.287 -0.611 0.000 0.824 226 K CB 2.689 34.871 32.500 -0.530 0.000 1.167 226 K HN 0.573 nan 8.250 nan 0.000 0.431 227 V N 0.151 119.778 119.914 -0.479 0.000 3.202 227 V HA 0.452 4.572 4.120 0.001 0.000 0.306 227 V C 0.131 176.220 176.094 -0.007 0.000 1.283 227 V CA -0.610 61.403 62.300 -0.479 0.000 1.065 227 V CB 2.337 33.961 31.823 -0.333 0.000 1.079 227 V HN 1.000 nan 8.190 nan 0.000 0.448 228 G N -0.481 108.422 108.800 0.171 0.000 2.666 228 G HA2 0.226 4.186 3.960 0.001 0.000 0.207 228 G HA3 0.226 4.186 3.960 0.001 0.000 0.207 228 G C -0.257 174.705 174.900 0.103 0.000 1.481 228 G CA -0.052 45.144 45.100 0.160 0.000 1.071 228 G HN 0.652 nan 8.290 nan 0.000 0.572 229 D N 0.353 120.798 120.400 0.075 0.000 2.856 229 D HA 0.175 4.815 4.640 0.001 0.000 0.242 229 D C 0.027 176.434 176.300 0.178 0.000 1.226 229 D CA -0.057 54.034 54.000 0.151 0.000 0.855 229 D CB -0.527 40.356 40.800 0.139 0.000 1.065 229 D HN 0.123 nan 8.370 nan 0.000 0.462 230 F N 1.153 121.217 119.950 0.191 0.000 2.602 230 F HA -0.060 4.467 4.527 0.001 0.000 0.367 230 F C 1.609 177.511 175.800 0.169 0.000 1.126 230 F CA -0.101 57.993 58.000 0.158 0.000 1.321 230 F CB 0.745 39.824 39.000 0.132 0.000 1.094 230 F HN -0.172 nan 8.300 nan 0.000 0.594 231 E N 3.654 124.086 120.200 0.387 0.000 2.265 231 E HA 0.021 4.372 4.350 0.001 0.000 0.272 231 E C 0.950 177.707 176.600 0.263 0.000 1.067 231 E CA -0.045 56.526 56.400 0.285 0.000 0.900 231 E CB 0.774 30.604 29.700 0.217 0.000 1.017 231 E HN 0.519 nan 8.360 nan 0.000 0.431 232 I N 4.785 125.534 120.570 0.298 0.000 2.143 232 I HA -0.376 3.795 4.170 0.001 0.000 0.245 232 I C 2.211 178.485 176.117 0.261 0.000 1.068 232 I CA 1.306 62.779 61.300 0.288 0.000 1.326 232 I CB -0.294 37.848 38.000 0.236 0.000 1.028 232 I HN 0.636 nan 8.210 nan 0.000 0.412 233 L N -0.286 121.118 121.223 0.302 0.000 2.129 233 L HA -0.270 4.070 4.340 0.001 0.000 0.212 233 L C 2.213 179.135 176.870 0.087 0.000 1.087 233 L CA 1.426 56.375 54.840 0.181 0.000 0.757 233 L CB -0.579 41.543 42.059 0.106 0.000 0.896 233 L HN 0.362 nan 8.230 nan 0.000 0.434 234 E N -0.366 119.870 120.200 0.059 0.000 2.478 234 E HA -0.112 4.239 4.350 0.001 0.000 0.198 234 E C 1.604 178.137 176.600 -0.112 0.000 1.046 234 E CA 0.414 56.795 56.400 -0.032 0.000 0.870 234 E CB 0.148 29.817 29.700 -0.052 0.000 0.818 234 E HN 0.534 nan 8.360 nan 0.000 0.527 235 L N 0.040 121.220 121.223 -0.071 0.000 2.728 235 L HA 0.056 4.396 4.340 0.001 0.000 0.238 235 L C 1.608 178.469 176.870 -0.014 0.000 1.143 235 L CA -0.191 54.549 54.840 -0.166 0.000 0.937 235 L CB 0.639 42.490 42.059 -0.346 0.000 1.225 235 L HN 0.001 nan 8.230 nan 0.000 0.507 236 V N 0.061 120.027 119.914 0.086 0.000 2.407 236 V HA -0.171 3.950 4.120 0.001 0.000 0.248 236 V C 2.601 178.736 176.094 0.069 0.000 1.055 236 V CA 2.007 64.392 62.300 0.141 0.000 1.049 236 V CB -1.124 30.737 31.823 0.064 0.000 0.662 236 V HN 0.583 nan 8.190 nan 0.000 0.455 237 G N -0.129 108.681 108.800 0.017 0.000 2.491 237 G HA2 -0.350 3.611 3.960 0.001 0.000 0.218 237 G HA3 -0.350 3.611 3.960 0.001 0.000 0.218 237 G C 1.502 176.395 174.900 -0.012 0.000 1.180 237 G CA 1.223 46.318 45.100 -0.007 0.000 0.774 237 G HN 0.474 nan 8.290 nan 0.000 0.562 238 F N 1.128 120.966 119.950 -0.187 0.000 2.027 238 F HA -0.158 4.370 4.527 0.001 0.000 0.297 238 F C 2.474 178.158 175.800 -0.192 0.000 1.129 238 F CA 2.038 59.889 58.000 -0.249 0.000 1.195 238 F CB -0.656 38.092 39.000 -0.419 0.000 0.960 238 F HN 0.146 nan 8.300 nan 0.000 0.485 239 F N 0.606 120.459 119.950 -0.162 0.000 2.120 239 F HA -0.248 4.279 4.527 0.001 0.000 0.300 239 F C 2.473 178.103 175.800 -0.283 0.000 1.095 239 F CA 1.804 59.630 58.000 -0.289 0.000 1.249 239 F CB -0.588 38.314 39.000 -0.163 0.000 0.995 239 F HN -0.056 nan 8.300 nan 0.000 0.480 240 K N 0.030 120.418 120.400 -0.020 0.000 2.057 240 K HA -0.153 4.167 4.320 0.001 0.000 0.207 240 K C 2.264 178.794 176.600 -0.117 0.000 1.049 240 K CA 1.212 57.461 56.287 -0.064 0.000 0.931 240 K CB -0.407 32.063 32.500 -0.049 0.000 0.714 240 K HN 0.245 nan 8.250 nan 0.000 0.440 241 A N 1.152 123.871 122.820 -0.169 0.000 1.968 241 A HA 0.055 4.376 4.320 0.001 0.000 0.217 241 A C 1.621 179.070 177.584 -0.226 0.000 1.169 241 A CA 1.110 53.042 52.037 -0.175 0.000 0.638 241 A CB -0.175 18.730 19.000 -0.159 0.000 0.812 241 A HN 0.264 nan 8.150 nan 0.000 0.446 242 A N 0.103 122.702 122.820 -0.367 0.000 3.077 242 A HA 0.565 4.886 4.320 0.001 0.000 0.255 242 A C 1.600 179.073 177.584 -0.184 0.000 1.728 242 A CA 0.649 52.468 52.037 -0.363 0.000 1.383 242 A CB -1.066 17.515 19.000 -0.700 0.000 1.097 242 A HN 0.870 nan 8.150 nan 0.000 0.634 243 A N 1.428 124.171 122.820 -0.128 0.000 1.884 243 A HA -0.216 4.104 4.320 0.001 0.000 0.219 243 A C 1.658 179.204 177.584 -0.065 0.000 1.197 243 A CA 1.972 53.958 52.037 -0.085 0.000 0.637 243 A CB -0.381 18.578 19.000 -0.070 0.000 0.827 243 A HN 0.600 nan 8.150 nan 0.000 0.450 244 N N -0.549 118.118 118.700 -0.055 0.000 2.314 244 N HA 0.148 4.889 4.740 0.001 0.000 0.200 244 N C -0.217 175.282 175.510 -0.019 0.000 1.135 244 N CA -0.168 52.861 53.050 -0.035 0.000 0.835 244 N CB -0.247 38.223 38.487 -0.028 0.000 0.989 244 N HN 0.368 nan 8.380 nan 0.000 0.478 245 L N 1.371 122.584 121.223 -0.017 0.000 2.559 245 L HA -0.031 4.309 4.340 0.001 0.000 0.274 245 L C 1.171 178.062 176.870 0.035 0.000 1.205 245 L CA 0.916 55.775 54.840 0.031 0.000 0.907 245 L CB 0.484 42.585 42.059 0.070 0.000 1.153 245 L HN 0.149 nan 8.230 nan 0.000 0.490 246 E N 2.214 122.440 120.200 0.044 0.000 2.399 246 E HA 0.123 4.474 4.350 0.001 0.000 0.205 246 E C -0.219 176.412 176.600 0.051 0.000 0.906 246 E CA 0.045 56.464 56.400 0.031 0.000 0.998 246 E CB 0.763 30.471 29.700 0.013 0.000 1.002 246 E HN 0.648 nan 8.360 nan 0.000 0.501 247 E N 0.399 120.645 120.200 0.076 0.000 2.272 247 E HA 0.429 4.779 4.350 0.001 0.000 0.269 247 E C -1.837 174.870 176.600 0.179 0.000 0.877 247 E CA -0.615 55.830 56.400 0.074 0.000 0.755 247 E CB 1.584 31.281 29.700 -0.004 0.000 1.192 247 E HN -0.064 nan 8.360 nan 0.000 0.422 248 F N 4.436 124.400 119.950 0.023 0.000 2.588 248 F HA 0.539 5.067 4.527 0.001 0.000 0.318 248 F C -1.675 174.115 175.800 -0.017 0.000 1.155 248 F CA -0.472 57.569 58.000 0.069 0.000 0.967 248 F CB 0.984 40.150 39.000 0.277 0.000 1.236 248 F HN 0.584 nan 8.300 nan 0.000 0.455 249 C N 3.637 122.539 119.300 -0.663 0.000 2.889 249 C HA 1.033 5.493 4.460 0.001 0.000 0.307 249 C C 0.502 175.101 174.990 -0.651 0.000 1.251 249 C CA -0.005 58.714 59.018 -0.499 0.000 1.593 249 C CB 0.872 28.103 27.740 -0.848 0.000 2.104 249 C HN 1.408 nan 8.230 nan 0.000 0.476 250 G N 0.554 109.377 108.800 0.038 0.000 2.428 250 G HA2 0.517 4.478 3.960 0.001 0.000 0.202 250 G HA3 0.517 4.478 3.960 0.001 0.000 0.202 250 G C 0.037 175.134 174.900 0.328 0.000 1.247 250 G CA 0.157 45.368 45.100 0.186 0.000 1.020 250 G HN 2.764 nan 8.290 nan 0.000 0.529 251 G N -1.671 107.328 108.800 0.332 0.000 2.782 251 G HA2 0.410 4.370 3.960 0.001 0.000 0.228 251 G HA3 0.410 4.370 3.960 0.001 0.000 0.228 251 G C 0.156 175.272 174.900 0.359 0.000 1.372 251 G CA 1.073 46.441 45.100 0.446 0.000 0.862 251 G HN 2.411 nan 8.290 nan 0.000 0.547 252 S N -0.911 115.005 115.700 0.359 0.000 2.720 252 S HA 0.588 5.059 4.470 0.001 0.000 0.278 252 S C -0.381 174.380 174.600 0.268 0.000 1.172 252 S CA -0.606 57.819 58.200 0.376 0.000 1.019 252 S CB 0.571 63.970 63.200 0.331 0.000 1.049 252 S HN 0.893 nan 8.310 nan 0.000 0.483 253 L N 5.347 126.698 121.223 0.214 0.000 2.268 253 L HA 0.493 4.834 4.340 0.001 0.000 0.289 253 L C -0.222 176.762 176.870 0.189 0.000 1.064 253 L CA -0.506 54.360 54.840 0.043 0.000 0.824 253 L CB 0.535 42.502 42.059 -0.153 0.000 1.202 253 L HN 0.562 nan 8.230 nan 0.000 0.433 254 N N 3.999 122.884 118.700 0.309 0.000 2.476 254 N HA 0.185 4.926 4.740 0.001 0.000 0.257 254 N C -0.664 175.005 175.510 0.265 0.000 0.970 254 N CA -0.521 52.660 53.050 0.218 0.000 0.938 254 N CB 1.795 40.372 38.487 0.150 0.000 1.144 254 N HN 0.586 nan 8.380 nan 0.000 0.500 255 E N 0.854 121.174 120.200 0.201 0.000 2.227 255 E HA 0.230 4.581 4.350 0.001 0.000 0.282 255 E C -0.799 175.847 176.600 0.077 0.000 1.015 255 E CA -0.826 55.671 56.400 0.162 0.000 0.823 255 E CB 1.071 30.864 29.700 0.155 0.000 1.081 255 E HN 0.411 nan 8.360 nan 0.000 0.396 256 D N 3.853 124.276 120.400 0.038 0.000 2.326 256 D HA 0.106 4.747 4.640 0.001 0.000 0.248 256 D C 0.875 177.183 176.300 0.014 0.000 1.001 256 D CA -0.750 53.261 54.000 0.019 0.000 0.961 256 D CB 1.130 41.932 40.800 0.003 0.000 1.183 256 D HN 0.359 nan 8.370 nan 0.000 0.502 257 I N 0.628 121.205 120.570 0.012 0.000 2.500 257 I HA -0.013 4.157 4.170 0.001 0.000 0.252 257 I C 2.493 178.612 176.117 0.002 0.000 1.142 257 I CA 0.701 62.008 61.300 0.011 0.000 1.451 257 I CB -1.752 36.255 38.000 0.012 0.000 1.093 257 I HN 0.690 nan 8.210 nan 0.000 0.430 258 G N 1.406 110.203 108.800 -0.004 0.000 2.516 258 G HA2 -0.171 3.790 3.960 0.001 0.000 0.221 258 G HA3 -0.171 3.790 3.960 0.001 0.000 0.221 258 G C 0.904 175.792 174.900 -0.020 0.000 1.107 258 G CA 0.402 45.495 45.100 -0.011 0.000 0.747 258 G HN 0.325 nan 8.290 nan 0.000 0.567 259 M N 0.086 119.669 119.600 -0.027 0.000 2.035 259 M HA 0.244 4.724 4.480 0.001 0.000 0.286 259 M C -2.299 173.985 176.300 -0.027 0.000 0.907 259 M CA -1.683 53.591 55.300 -0.042 0.000 0.935 259 M CB 2.859 35.408 32.600 -0.084 0.000 1.557 259 M HN -0.174 nan 8.290 nan 0.000 0.426 260 P HA -0.008 nan 4.420 nan 0.000 0.221 260 P C 0.016 177.325 177.300 0.015 0.000 1.155 260 P CA 1.004 64.111 63.100 0.010 0.000 0.812 260 P CB 0.371 32.078 31.700 0.013 0.000 0.801 261 E N -0.185 120.012 120.200 -0.005 0.000 2.698 261 E HA 0.085 4.436 4.350 0.001 0.000 0.242 261 E C 1.123 177.689 176.600 -0.056 0.000 1.243 261 E CA -0.219 56.179 56.400 -0.003 0.000 1.483 261 E CB 0.034 29.735 29.700 0.002 0.000 1.495 261 E HN 0.138 nan 8.360 nan 0.000 0.440 262 K N 0.240 120.569 120.400 -0.118 0.000 2.057 262 K HA -0.122 4.199 4.320 0.001 0.000 0.207 262 K C 0.006 176.359 176.600 -0.412 0.000 1.049 262 K CA 1.289 57.378 56.287 -0.331 0.000 0.931 262 K CB 0.221 32.403 32.500 -0.531 0.000 0.714 262 K HN 0.237 nan 8.250 nan 0.000 0.440 263 Y N -0.050 120.253 120.300 0.005 0.000 2.638 263 Y HA 0.274 4.824 4.550 0.001 0.000 0.367 263 Y C 0.262 176.152 175.900 -0.015 0.000 1.001 263 Y CA -0.735 57.359 58.100 -0.010 0.000 1.133 263 Y CB 1.127 39.590 38.460 0.005 0.000 1.199 263 Y HN -0.029 nan 8.280 nan 0.000 0.642 264 M N -0.329 119.317 119.600 0.077 0.000 2.300 264 M HA 0.226 4.707 4.480 0.001 0.000 0.313 264 M C -0.157 176.157 176.300 0.023 0.000 0.988 264 M CA 0.325 55.660 55.300 0.059 0.000 1.012 264 M CB 0.209 32.839 32.600 0.049 0.000 1.586 264 M HN 0.304 nan 8.290 nan 0.000 0.562 265 N N 1.187 119.887 118.700 0.000 0.000 2.908 265 N HA 0.268 5.008 4.740 0.001 0.000 0.316 265 N C -1.118 174.345 175.510 -0.077 0.000 1.619 265 N CA -0.032 52.999 53.050 -0.031 0.000 1.045 265 N CB 0.849 39.318 38.487 -0.029 0.000 1.357 265 N HN 0.043 nan 8.380 nan 0.000 0.501 266 L N 1.694 122.837 121.223 -0.133 0.000 2.265 266 L HA 0.369 4.709 4.340 0.001 0.000 0.289 266 L C 0.178 176.806 176.870 -0.403 0.000 1.033 266 L CA -0.883 53.754 54.840 -0.339 0.000 0.814 266 L CB 1.139 42.862 42.059 -0.560 0.000 1.203 266 L HN 0.039 nan 8.230 nan 0.000 0.423 267 V N 1.917 121.617 119.914 -0.357 0.000 2.397 267 V HA 0.286 4.406 4.120 0.001 0.000 0.262 267 V C 0.098 175.881 176.094 -0.519 0.000 1.047 267 V CA -0.417 61.704 62.300 -0.299 0.000 1.003 267 V CB -0.862 30.867 31.823 -0.157 0.000 1.037 267 V HN 0.367 nan 8.190 nan 0.000 0.480 268 F N 5.224 124.948 119.950 -0.376 0.000 2.394 268 F HA 0.544 5.071 4.527 0.001 0.000 0.340 268 F C -1.492 174.069 175.800 -0.399 0.000 1.105 268 F CA -2.332 55.343 58.000 -0.540 0.000 1.124 268 F CB 1.300 39.927 39.000 -0.621 0.000 1.145 268 F HN 0.371 nan 8.300 nan 0.000 0.505 269 P HA 0.014 nan 4.420 nan 0.000 0.264 269 P C 0.339 177.541 177.300 -0.164 0.000 1.179 269 P CA 0.129 63.184 63.100 -0.075 0.000 0.763 269 P CB 0.587 32.284 31.700 -0.005 0.000 0.806 270 R N 2.514 122.931 120.500 -0.139 0.000 2.096 270 R HA -0.136 4.204 4.340 0.001 0.000 0.235 270 R C 1.351 177.564 176.300 -0.144 0.000 1.127 270 R CA 1.452 57.459 56.100 -0.156 0.000 0.968 270 R CB -0.324 29.917 30.300 -0.097 0.000 0.861 270 R HN 0.522 nan 8.270 nan 0.000 0.440 271 K N 0.787 121.131 120.400 -0.093 0.000 2.459 271 K HA 0.128 4.449 4.320 0.001 0.000 0.193 271 K C 0.699 177.270 176.600 -0.049 0.000 1.030 271 K CA -0.130 56.123 56.287 -0.057 0.000 1.026 271 K CB 0.130 32.610 32.500 -0.033 0.000 0.809 271 K HN 0.089 nan 8.250 nan 0.000 0.504 272 L N 1.699 122.868 121.223 -0.091 0.000 2.700 272 L HA -0.144 4.196 4.340 0.001 0.000 0.276 272 L C 0.637 177.521 176.870 0.022 0.000 1.200 272 L CA 0.546 55.353 54.840 -0.054 0.000 0.951 272 L CB 0.186 42.157 42.059 -0.147 0.000 1.226 272 L HN 0.487 nan 8.230 nan 0.000 0.489 273 C N 1.737 121.066 119.300 0.049 0.000 4.095 273 C HA 0.403 4.864 4.460 0.001 0.000 0.327 273 C C 0.555 175.567 174.990 0.036 0.000 1.811 273 C CA -0.819 58.239 59.018 0.067 0.000 1.785 273 C CB -0.159 27.608 27.740 0.046 0.000 3.120 273 C HN 0.813 nan 8.230 nan 0.000 0.621 274 R N 1.865 122.380 120.500 0.026 0.000 2.473 274 R HA 0.830 5.171 4.340 0.001 0.000 0.303 274 R C -0.885 175.419 176.300 0.007 0.000 1.002 274 R CA -0.030 56.071 56.100 0.002 0.000 0.884 274 R CB 1.521 31.813 30.300 -0.013 0.000 1.173 274 R HN 0.704 nan 8.270 nan 0.000 0.464 275 L N -1.157 120.060 121.223 -0.010 0.000 2.720 275 L HA 1.002 5.343 4.340 0.001 0.000 0.261 275 L C -1.256 175.610 176.870 -0.006 0.000 1.046 275 L CA -0.889 53.959 54.840 0.012 0.000 0.886 275 L CB 2.485 44.554 42.059 0.018 0.000 1.493 275 L HN 0.590 nan 8.230 nan 0.000 0.407 276 G N 1.899 110.728 108.800 0.048 0.000 2.152 276 G HA2 0.454 4.415 3.960 0.001 0.000 0.290 276 G HA3 0.454 4.415 3.960 0.001 0.000 0.290 276 G C -1.464 173.532 174.900 0.161 0.000 1.307 276 G CA -0.563 44.575 45.100 0.062 0.000 1.289 276 G HN 0.591 nan 8.290 nan 0.000 0.612 277 L N 1.863 123.165 121.223 0.132 0.000 2.290 277 L HA 0.431 4.772 4.340 0.001 0.000 0.284 277 L C 0.682 177.624 176.870 0.121 0.000 1.078 277 L CA -0.603 54.351 54.840 0.190 0.000 0.815 277 L CB 1.498 43.633 42.059 0.128 0.000 1.162 277 L HN 0.396 nan 8.230 nan 0.000 0.435 278 S N 2.000 117.778 115.700 0.130 0.000 2.565 278 S HA 0.235 4.706 4.470 0.001 0.000 0.276 278 S C -0.036 174.541 174.600 -0.037 0.000 1.326 278 S CA -0.237 57.912 58.200 -0.086 0.000 1.045 278 S CB 0.258 63.315 63.200 -0.238 0.000 0.918 278 S HN 0.638 nan 8.310 nan 0.000 0.505 279 Y N -1.848 118.518 120.300 0.109 0.000 4.907 279 Y HA -0.252 4.298 4.550 0.001 0.000 0.246 279 Y C 0.630 176.554 175.900 0.040 0.000 0.968 279 Y CA 0.448 58.592 58.100 0.073 0.000 1.961 279 Y CB -2.402 36.099 38.460 0.068 0.000 1.487 279 Y HN 0.726 nan 8.280 nan 0.000 0.575 280 M N 1.690 121.351 119.600 0.101 0.000 2.408 280 M HA 0.299 4.780 4.480 0.001 0.000 0.363 280 M C 0.988 177.304 176.300 0.026 0.000 1.636 280 M CA 1.288 56.606 55.300 0.030 0.000 1.029 280 M CB 0.106 32.690 32.600 -0.027 0.000 2.068 280 M HN 0.371 nan 8.290 nan 0.000 0.466 281 G N 5.137 113.959 108.800 0.036 0.000 2.557 281 G HA2 0.518 4.478 3.960 0.001 0.000 0.302 281 G HA3 0.518 4.478 3.960 0.001 0.000 0.302 281 G C -2.481 172.426 174.900 0.011 0.000 1.311 281 G CA -1.204 43.918 45.100 0.036 0.000 1.030 281 G HN 0.567 nan 8.290 nan 0.000 0.509 282 P HA -0.038 nan 4.420 nan 0.000 0.220 282 P C 1.480 178.803 177.300 0.040 0.000 1.152 282 P CA 0.575 63.690 63.100 0.026 0.000 0.812 282 P CB 0.266 31.991 31.700 0.042 0.000 0.792 283 N N 0.118 118.849 118.700 0.052 0.000 2.120 283 N HA -0.140 4.601 4.740 0.001 0.000 0.188 283 N C 1.469 177.018 175.510 0.066 0.000 1.024 283 N CA 1.244 54.335 53.050 0.068 0.000 0.852 283 N CB -0.472 38.064 38.487 0.082 0.000 1.003 283 N HN 0.379 nan 8.380 nan 0.000 0.424 284 E N 0.522 120.748 120.200 0.043 0.000 2.340 284 E HA -0.018 4.332 4.350 0.001 0.000 0.194 284 E C 1.807 178.357 176.600 -0.083 0.000 0.996 284 E CA -0.060 56.349 56.400 0.015 0.000 0.869 284 E CB -0.476 29.207 29.700 -0.028 0.000 0.835 284 E HN 0.365 nan 8.360 nan 0.000 0.493 285 M N 1.789 121.321 119.600 -0.114 0.000 2.146 285 M HA -0.124 4.356 4.480 0.001 0.000 0.256 285 M C -0.936 175.027 176.300 -0.562 0.000 1.075 285 M CA 1.872 57.020 55.300 -0.252 0.000 1.082 285 M CB -0.931 31.567 32.600 -0.170 0.000 1.355 285 M HN -0.058 nan 8.290 nan 0.000 0.402 286 P HA -0.093 nan 4.420 nan 0.000 0.225 286 P C 1.380 178.399 177.300 -0.469 0.000 1.148 286 P CA 1.214 63.925 63.100 -0.650 0.000 0.779 286 P CB -0.678 31.091 31.700 0.114 0.000 0.780 287 I N -4.749 115.675 120.570 -0.244 0.000 3.083 287 I HA -0.094 4.076 4.170 0.001 0.000 0.273 287 I C 1.373 177.462 176.117 -0.047 0.000 1.297 287 I CA 1.224 62.505 61.300 -0.032 0.000 1.452 287 I CB -0.744 37.315 38.000 0.098 0.000 1.078 287 I HN -0.085 nan 8.210 nan 0.000 0.484 288 L N -0.476 120.502 121.223 -0.409 0.000 2.416 288 L HA 0.082 4.422 4.340 0.001 0.000 0.216 288 L C 2.194 178.677 176.870 -0.645 0.000 1.098 288 L CA 0.351 54.805 54.840 -0.643 0.000 0.840 288 L CB -0.400 41.262 42.059 -0.661 0.000 0.981 288 L HN 0.115 nan 8.230 nan 0.000 0.462 289 F N 0.771 120.582 119.950 -0.232 0.000 2.126 289 F HA -0.102 4.425 4.527 0.001 0.000 0.299 289 F C -0.092 175.630 175.800 -0.131 0.000 1.096 289 F CA 0.706 58.599 58.000 -0.178 0.000 1.255 289 F CB -2.558 36.387 39.000 -0.091 0.000 0.997 289 F HN 0.098 nan 8.300 nan 0.000 0.479 290 P HA -0.218 nan 4.420 nan 0.000 0.220 290 P C 0.516 177.981 177.300 0.275 0.000 1.142 290 P CA 1.734 64.965 63.100 0.219 0.000 0.801 290 P CB -0.399 31.486 31.700 0.308 0.000 0.764 291 F N -6.937 113.036 119.950 0.038 0.000 2.895 291 F HA 0.660 5.187 4.527 0.001 0.000 0.334 291 F C 1.278 177.076 175.800 -0.004 0.000 1.252 291 F CA -0.386 57.619 58.000 0.009 0.000 1.056 291 F CB -0.795 38.199 39.000 -0.010 0.000 1.311 291 F HN -0.259 nan 8.300 nan 0.000 0.506 292 A N 1.209 123.845 122.820 -0.305 0.000 2.024 292 A HA 0.081 4.402 4.320 0.001 0.000 0.220 292 A C 2.363 179.902 177.584 -0.076 0.000 1.164 292 A CA 1.826 53.718 52.037 -0.241 0.000 0.643 292 A CB -0.964 17.963 19.000 -0.122 0.000 0.806 292 A HN 0.739 nan 8.150 nan 0.000 0.451 293 A N -1.111 121.703 122.820 -0.010 0.000 2.076 293 A HA -0.218 4.103 4.320 0.001 0.000 0.220 293 A C 2.081 179.686 177.584 0.036 0.000 1.160 293 A CA 1.765 53.814 52.037 0.020 0.000 0.653 293 A CB -0.368 18.654 19.000 0.037 0.000 0.801 293 A HN 0.678 nan 8.150 nan 0.000 0.455 294 Q N -0.938 118.900 119.800 0.064 0.000 2.391 294 Q HA 0.218 4.559 4.340 0.001 0.000 0.211 294 Q C -0.037 176.006 176.000 0.071 0.000 0.908 294 Q CA -0.254 55.603 55.803 0.089 0.000 0.920 294 Q CB 0.097 28.933 28.738 0.163 0.000 1.056 294 Q HN 0.650 nan 8.270 nan 0.000 0.523 295 I N 1.977 122.571 120.570 0.040 0.000 2.668 295 I HA -0.089 4.081 4.170 0.001 0.000 0.285 295 I C 1.036 177.155 176.117 0.005 0.000 1.168 295 I CA 0.683 61.989 61.300 0.009 0.000 1.424 295 I CB 0.546 38.505 38.000 -0.068 0.000 1.377 295 I HN 0.204 nan 8.210 nan 0.000 0.560 296 R N 4.109 124.614 120.500 0.008 0.000 2.435 296 R HA 0.232 4.572 4.340 0.001 0.000 0.221 296 R C 0.196 176.495 176.300 -0.001 0.000 0.885 296 R CA -0.206 55.898 56.100 0.007 0.000 1.018 296 R CB 0.630 30.937 30.300 0.011 0.000 1.259 296 R HN 0.432 nan 8.270 nan 0.000 0.597 297 K N 1.087 121.482 120.400 -0.010 0.000 2.427 297 K HA 0.399 4.719 4.320 0.001 0.000 0.252 297 K C -1.899 174.686 176.600 -0.027 0.000 0.931 297 K CA -0.691 55.584 56.287 -0.019 0.000 0.793 297 K CB 1.676 34.159 32.500 -0.028 0.000 1.211 297 K HN -0.200 nan 8.250 nan 0.000 0.426 298 L N 3.045 124.253 121.223 -0.025 0.000 2.409 298 L HA 0.405 4.745 4.340 0.001 0.000 0.272 298 L C -1.530 175.325 176.870 -0.024 0.000 0.980 298 L CA -0.249 54.572 54.840 -0.032 0.000 0.826 298 L CB 1.890 43.930 42.059 -0.032 0.000 1.268 298 L HN 0.669 nan 8.230 nan 0.000 0.407 299 D N 4.353 124.739 120.400 -0.024 0.000 2.456 299 D HA 0.277 4.918 4.640 0.001 0.000 0.287 299 D C 0.129 176.422 176.300 -0.012 0.000 1.186 299 D CA -0.100 53.895 54.000 -0.009 0.000 0.916 299 D CB 0.287 41.098 40.800 0.017 0.000 1.029 299 D HN 0.498 nan 8.370 nan 0.000 0.498 300 L N 2.375 123.577 121.223 -0.035 0.000 2.715 300 L HA 0.103 4.443 4.340 0.001 0.000 0.238 300 L C 1.839 178.657 176.870 -0.087 0.000 1.212 300 L CA -0.310 54.501 54.840 -0.048 0.000 1.017 300 L CB 0.090 42.124 42.059 -0.042 0.000 1.269 300 L HN 0.268 nan 8.230 nan 0.000 0.452 301 L N -0.082 121.019 121.223 -0.204 0.000 2.056 301 L HA -0.134 4.207 4.340 0.001 0.000 0.207 301 L C 1.242 177.746 176.870 -0.610 0.000 1.078 301 L CA 2.072 56.621 54.840 -0.484 0.000 0.749 301 L CB -0.470 41.110 42.059 -0.800 0.000 0.901 301 L HN 0.362 nan 8.230 nan 0.000 0.433 302 Y N -0.850 119.410 120.300 -0.068 0.000 2.751 302 Y HA 0.508 5.059 4.550 0.001 0.000 0.289 302 Y C 0.675 176.466 175.900 -0.182 0.000 1.110 302 Y CA -0.412 57.586 58.100 -0.171 0.000 1.251 302 Y CB -0.136 38.142 38.460 -0.304 0.000 1.178 302 Y HN 0.058 nan 8.280 nan 0.000 0.540 303 A N 0.397 123.207 122.820 -0.015 0.000 2.303 303 A HA 0.574 4.894 4.320 0.001 0.000 0.317 303 A C -0.187 177.426 177.584 0.047 0.000 1.149 303 A CA -0.409 51.628 52.037 0.001 0.000 0.822 303 A CB 0.718 19.691 19.000 -0.044 0.000 1.131 303 A HN 0.304 nan 8.150 nan 0.000 0.493 304 L N 2.627 123.893 121.223 0.072 0.000 3.036 304 L HA 0.274 4.614 4.340 0.001 0.000 0.237 304 L C 0.008 176.916 176.870 0.062 0.000 1.319 304 L CA 0.544 55.442 54.840 0.096 0.000 1.112 304 L CB -1.012 41.130 42.059 0.138 0.000 1.480 304 L HN 0.663 nan 8.230 nan 0.000 0.506 305 L N -2.654 118.589 121.223 0.033 0.000 2.333 305 L HA 0.726 5.067 4.340 0.001 0.000 0.269 305 L C -0.278 176.663 176.870 0.118 0.000 1.010 305 L CA -0.713 54.140 54.840 0.022 0.000 0.818 305 L CB 1.977 43.993 42.059 -0.072 0.000 1.306 305 L HN 0.081 nan 8.230 nan 0.000 0.430 306 E N -0.004 120.277 120.200 0.135 0.000 2.254 306 E HA 0.180 4.531 4.350 0.001 0.000 0.258 306 E C 0.344 177.094 176.600 0.249 0.000 1.033 306 E CA -0.556 55.946 56.400 0.169 0.000 0.893 306 E CB 1.473 31.229 29.700 0.093 0.000 1.204 306 E HN 0.733 nan 8.360 nan 0.000 0.425 307 T N -0.188 114.449 114.554 0.139 0.000 2.685 307 T HA -0.278 4.073 4.350 0.001 0.000 0.268 307 T C 1.652 176.425 174.700 0.121 0.000 1.034 307 T CA 2.265 64.414 62.100 0.082 0.000 1.149 307 T CB -0.133 68.740 68.868 0.007 0.000 0.860 307 T HN 0.553 nan 8.240 nan 0.000 0.449 308 E N -0.166 120.091 120.200 0.096 0.000 2.051 308 E HA -0.163 4.188 4.350 0.001 0.000 0.192 308 E C 1.935 178.589 176.600 0.090 0.000 0.991 308 E CA 1.542 57.988 56.400 0.077 0.000 0.799 308 E CB -0.149 29.584 29.700 0.055 0.000 0.748 308 E HN 0.563 nan 8.360 nan 0.000 0.449 309 D N -0.113 120.344 120.400 0.095 0.000 2.182 309 D HA -0.187 4.453 4.640 0.001 0.000 0.201 309 D C 1.841 178.167 176.300 0.044 0.000 0.986 309 D CA 0.930 54.968 54.000 0.062 0.000 0.847 309 D CB -0.362 40.457 40.800 0.032 0.000 0.942 309 D HN 0.416 nan 8.370 nan 0.000 0.467 310 H N 0.179 119.262 119.070 0.021 0.000 2.293 310 H HA -0.093 4.464 4.556 0.001 0.000 0.300 310 H C 2.482 177.818 175.328 0.014 0.000 1.082 310 H CA 1.317 57.374 56.048 0.015 0.000 1.308 310 H CB -0.258 29.512 29.762 0.013 0.000 1.375 310 H HN 0.237 nan 8.280 nan 0.000 0.495 311 C N 0.336 119.727 119.300 0.152 0.000 2.413 311 C HA -0.156 4.304 4.460 0.001 0.000 0.277 311 C C 3.140 178.141 174.990 0.018 0.000 1.265 311 C CA 1.621 60.686 59.018 0.078 0.000 1.752 311 C CB -1.225 26.554 27.740 0.065 0.000 1.998 311 C HN 0.742 nan 8.230 nan 0.000 0.489 312 T N -0.720 113.848 114.554 0.024 0.000 2.867 312 T HA -0.114 4.236 4.350 0.001 0.000 0.268 312 T C 1.693 176.402 174.700 0.015 0.000 1.057 312 T CA 1.329 63.423 62.100 -0.010 0.000 1.136 312 T CB -0.359 68.518 68.868 0.015 0.000 0.874 312 T HN 0.580 nan 8.240 nan 0.000 0.466 313 L N -0.044 121.215 121.223 0.060 0.000 2.084 313 L HA 0.130 4.470 4.340 0.001 0.000 0.202 313 L C 2.632 179.505 176.870 0.005 0.000 1.074 313 L CA 0.831 55.721 54.840 0.083 0.000 0.757 313 L CB -0.254 41.805 42.059 0.001 0.000 0.918 313 L HN 0.184 nan 8.230 nan 0.000 0.444 314 I N 0.046 120.616 120.570 -0.000 0.000 2.185 314 I HA -0.376 3.795 4.170 0.001 0.000 0.246 314 I C 2.485 178.565 176.117 -0.062 0.000 1.088 314 I CA 1.500 62.802 61.300 0.003 0.000 1.347 314 I CB -1.368 36.665 38.000 0.056 0.000 1.041 314 I HN 0.545 nan 8.210 nan 0.000 0.415 315 Q N 1.523 121.220 119.800 -0.171 0.000 2.297 315 Q HA -0.194 4.146 4.340 0.001 0.000 0.208 315 Q C 1.654 177.406 176.000 -0.413 0.000 0.981 315 Q CA 1.313 56.805 55.803 -0.518 0.000 0.876 315 Q CB 0.091 28.503 28.738 -0.544 0.000 0.921 315 Q HN 0.571 nan 8.270 nan 0.000 0.446 316 K N -1.226 119.064 120.400 -0.183 0.000 2.374 316 K HA 0.119 4.440 4.320 0.001 0.000 0.196 316 K C 0.225 176.792 176.600 -0.055 0.000 1.023 316 K CA -0.029 56.192 56.287 -0.110 0.000 1.103 316 K CB 0.715 33.200 32.500 -0.025 0.000 0.848 316 K HN 0.073 nan 8.250 nan 0.000 0.528 317 C N 2.796 122.072 119.300 -0.040 0.000 2.787 317 C HA 0.234 4.694 4.460 0.001 0.000 0.265 317 C C -1.326 173.680 174.990 0.026 0.000 1.190 317 C CA -1.359 57.652 59.018 -0.012 0.000 1.616 317 C CB 0.408 28.135 27.740 -0.023 0.000 1.732 317 C HN 0.231 nan 8.230 nan 0.000 0.433 318 P HA -0.078 nan 4.420 nan 0.000 0.223 318 P C 0.716 178.048 177.300 0.054 0.000 1.151 318 P CA 1.411 64.556 63.100 0.075 0.000 0.787 318 P CB 0.298 32.043 31.700 0.075 0.000 0.788 319 N N -0.515 118.207 118.700 0.037 0.000 2.236 319 N HA 0.064 4.804 4.740 0.001 0.000 0.196 319 N C 0.504 176.030 175.510 0.027 0.000 1.114 319 N CA -0.344 52.725 53.050 0.031 0.000 0.859 319 N CB 0.124 38.628 38.487 0.028 0.000 0.982 319 N HN 0.126 nan 8.380 nan 0.000 0.493 320 L N 2.782 124.021 121.223 0.026 0.000 2.628 320 L HA -0.092 4.248 4.340 0.001 0.000 0.274 320 L C 1.354 178.242 176.870 0.030 0.000 1.209 320 L CA 0.850 55.704 54.840 0.023 0.000 0.930 320 L CB 0.414 42.489 42.059 0.025 0.000 1.183 320 L HN 0.242 nan 8.230 nan 0.000 0.492 321 E N 3.239 123.454 120.200 0.024 0.000 2.485 321 E HA 0.190 4.541 4.350 0.001 0.000 0.213 321 E C -0.385 176.232 176.600 0.028 0.000 0.923 321 E CA -0.153 56.265 56.400 0.029 0.000 1.054 321 E CB 0.419 30.134 29.700 0.025 0.000 1.077 321 E HN 0.354 nan 8.360 nan 0.000 0.509 322 V N 2.221 122.145 119.914 0.016 0.000 2.531 322 V HA 0.424 4.545 4.120 0.001 0.000 0.301 322 V C -1.266 174.836 176.094 0.013 0.000 1.034 322 V CA -0.983 61.324 62.300 0.011 0.000 0.865 322 V CB 1.973 33.786 31.823 -0.016 0.000 0.995 322 V HN 0.208 nan 8.190 nan 0.000 0.424 323 L N 4.267 125.507 121.223 0.029 0.000 2.438 323 L HA 0.698 5.038 4.340 0.001 0.000 0.270 323 L C -0.659 176.233 176.870 0.037 0.000 0.972 323 L CA 0.052 54.910 54.840 0.031 0.000 0.831 323 L CB 2.069 44.157 42.059 0.048 0.000 1.273 323 L HN 0.729 nan 8.230 nan 0.000 0.405 324 E N 3.037 123.248 120.200 0.019 0.000 2.199 324 E HA 0.652 5.003 4.350 0.001 0.000 0.265 324 E C -1.149 175.453 176.600 0.003 0.000 0.882 324 E CA -0.558 55.850 56.400 0.013 0.000 0.759 324 E CB 2.266 31.959 29.700 -0.011 0.000 1.148 324 E HN 0.672 nan 8.360 nan 0.000 0.412 325 T N 1.220 115.780 114.554 0.011 0.000 2.731 325 T HA 0.411 4.761 4.350 0.001 0.000 0.300 325 T C -1.065 173.624 174.700 -0.019 0.000 1.283 325 T CA -0.686 61.425 62.100 0.019 0.000 1.005 325 T CB 1.163 70.104 68.868 0.122 0.000 1.420 325 T HN 0.337 nan 8.240 nan 0.000 0.503 326 R N 1.039 121.525 120.500 -0.023 0.000 2.549 326 R HA 0.361 4.701 4.340 0.001 0.000 0.259 326 R C 1.652 177.911 176.300 -0.069 0.000 1.095 326 R CA -0.265 55.802 56.100 -0.055 0.000 1.148 326 R CB 0.296 30.562 30.300 -0.056 0.000 1.181 326 R HN 0.848 nan 8.270 nan 0.000 0.571 327 N N -0.300 118.361 118.700 -0.065 0.000 2.519 327 N HA -0.124 4.617 4.740 0.001 0.000 0.186 327 N C 1.107 176.558 175.510 -0.099 0.000 1.062 327 N CA 0.324 53.339 53.050 -0.060 0.000 0.910 327 N CB -0.095 38.374 38.487 -0.029 0.000 0.958 327 N HN 0.144 nan 8.380 nan 0.000 0.445 328 V N 1.448 121.290 119.914 -0.119 0.000 2.453 328 V HA -0.250 3.870 4.120 0.001 0.000 0.252 328 V C 2.384 178.286 176.094 -0.320 0.000 1.068 328 V CA 1.278 63.489 62.300 -0.147 0.000 1.070 328 V CB -0.699 31.084 31.823 -0.068 0.000 0.664 328 V HN 0.352 nan 8.190 nan 0.000 0.461 329 I N 0.710 120.958 120.570 -0.536 0.000 2.227 329 I HA -0.136 4.035 4.170 0.001 0.000 0.250 329 I C 1.304 177.268 176.117 -0.256 0.000 1.087 329 I CA 1.538 62.463 61.300 -0.625 0.000 1.352 329 I CB -0.819 36.980 38.000 -0.335 0.000 1.043 329 I HN 0.513 nan 8.210 nan 0.000 0.425 330 G N -0.349 108.361 108.800 -0.151 0.000 2.880 330 G HA2 -0.283 3.678 3.960 0.001 0.000 0.617 330 G HA3 -0.283 3.678 3.960 0.001 0.000 0.617 330 G C 0.393 175.273 174.900 -0.034 0.000 1.493 330 G CA 0.000 45.059 45.100 -0.069 0.000 0.916 330 G HN 0.327 nan 8.290 nan 0.000 0.553 331 D N 0.011 120.404 120.400 -0.011 0.000 2.123 331 D HA -0.114 4.527 4.640 0.001 0.000 0.196 331 D C 2.388 178.695 176.300 0.011 0.000 0.992 331 D CA 1.477 55.480 54.000 0.005 0.000 0.833 331 D CB -0.029 40.778 40.800 0.011 0.000 0.954 331 D HN 0.541 nan 8.370 nan 0.000 0.455 332 R N 0.611 121.117 120.500 0.010 0.000 2.083 332 R HA -0.130 4.211 4.340 0.001 0.000 0.237 332 R C 2.390 178.709 176.300 0.032 0.000 1.137 332 R CA 1.942 58.055 56.100 0.022 0.000 0.951 332 R CB -0.629 29.685 30.300 0.023 0.000 0.851 332 R HN 0.160 nan 8.270 nan 0.000 0.434 333 G N 0.891 109.701 108.800 0.016 0.000 2.476 333 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 333 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 333 G C 1.450 176.376 174.900 0.043 0.000 1.164 333 G CA 1.053 46.170 45.100 0.029 0.000 0.768 333 G HN 0.285 nan 8.290 nan 0.000 0.560 334 L N -0.052 121.186 121.223 0.024 0.000 2.079 334 L HA -0.097 4.243 4.340 0.001 0.000 0.210 334 L C 2.881 179.778 176.870 0.045 0.000 1.081 334 L CA 1.435 56.296 54.840 0.036 0.000 0.752 334 L CB -0.341 41.735 42.059 0.028 0.000 0.896 334 L HN 0.285 nan 8.230 nan 0.000 0.433 335 E N -0.685 119.540 120.200 0.042 0.000 2.110 335 E HA -0.190 4.160 4.350 0.001 0.000 0.193 335 E C 2.224 178.864 176.600 0.067 0.000 0.988 335 E CA 1.313 57.737 56.400 0.039 0.000 0.804 335 E CB 0.025 29.744 29.700 0.033 0.000 0.745 335 E HN 0.260 nan 8.360 nan 0.000 0.458 336 V N 1.092 121.071 119.914 0.108 0.000 2.261 336 V HA -0.261 3.859 4.120 0.001 0.000 0.246 336 V C 2.297 178.536 176.094 0.243 0.000 1.047 336 V CA 1.490 63.916 62.300 0.209 0.000 1.015 336 V CB -0.477 31.446 31.823 0.167 0.000 0.642 336 V HN 0.269 nan 8.190 nan 0.000 0.446 337 L N 0.914 122.226 121.223 0.148 0.000 2.081 337 L HA -0.178 4.163 4.340 0.001 0.000 0.212 337 L C 2.485 179.410 176.870 0.091 0.000 1.080 337 L CA 2.303 57.218 54.840 0.125 0.000 0.754 337 L CB -0.945 41.166 42.059 0.087 0.000 0.893 337 L HN 0.257 nan 8.230 nan 0.000 0.433 338 A N -0.868 121.983 122.820 0.052 0.000 1.917 338 A HA -0.257 4.063 4.320 0.001 0.000 0.219 338 A C 2.160 179.714 177.584 -0.049 0.000 1.182 338 A CA 2.096 54.133 52.037 -0.001 0.000 0.633 338 A CB -0.543 18.447 19.000 -0.016 0.000 0.819 338 A HN 0.722 nan 8.150 nan 0.000 0.448 339 Q N -2.708 117.027 119.800 -0.107 0.000 2.246 339 Q HA 0.100 4.440 4.340 0.001 0.000 0.222 339 Q C 1.113 176.925 176.000 -0.314 0.000 0.851 339 Q CA 0.272 55.937 55.803 -0.231 0.000 0.945 339 Q CB -0.130 28.416 28.738 -0.320 0.000 1.122 339 Q HN 0.688 nan 8.270 nan 0.000 0.508 340 Y N 0.468 120.768 120.300 -0.000 0.000 2.397 340 Y HA 0.146 4.696 4.550 0.001 0.000 0.292 340 Y C 1.055 176.957 175.900 0.004 0.000 1.115 340 Y CA 0.213 58.314 58.100 0.002 0.000 1.208 340 Y CB 0.779 39.242 38.460 0.004 0.000 1.046 340 Y HN 0.141 nan 8.280 nan 0.000 0.552 341 C N 2.131 121.515 119.300 0.141 0.000 2.248 341 C HA 0.320 4.780 4.460 0.001 0.000 0.320 341 C C 1.148 176.168 174.990 0.050 0.000 1.065 341 C CA -1.330 57.741 59.018 0.088 0.000 1.558 341 C CB -0.121 27.671 27.740 0.086 0.000 1.787 341 C HN 0.301 nan 8.230 nan 0.000 0.426 342 K N 1.006 121.426 120.400 0.034 0.000 2.305 342 K HA -0.011 4.309 4.320 0.001 0.000 0.199 342 K C 1.485 178.101 176.600 0.026 0.000 1.047 342 K CA 0.879 57.176 56.287 0.016 0.000 0.976 342 K CB 0.195 32.696 32.500 0.001 0.000 0.765 342 K HN 0.667 nan 8.250 nan 0.000 0.474 343 Q N 0.671 120.490 119.800 0.033 0.000 2.365 343 Q HA 0.070 4.411 4.340 0.001 0.000 0.203 343 Q C 0.499 176.524 176.000 0.040 0.000 0.929 343 Q CA -0.218 55.605 55.803 0.034 0.000 0.948 343 Q CB -0.554 28.203 28.738 0.031 0.000 1.043 343 Q HN 0.091 nan 8.270 nan 0.000 0.505 344 L N 2.293 123.544 121.223 0.046 0.000 2.601 344 L HA -0.109 4.231 4.340 0.001 0.000 0.277 344 L C 1.002 177.911 176.870 0.065 0.000 1.219 344 L CA 0.894 55.767 54.840 0.055 0.000 0.915 344 L CB 0.499 42.595 42.059 0.061 0.000 1.160 344 L HN -0.058 nan 8.230 nan 0.000 0.494 345 K N 4.521 124.962 120.400 0.068 0.000 2.436 345 K HA 0.269 4.590 4.320 0.001 0.000 0.198 345 K C -0.095 176.576 176.600 0.118 0.000 1.174 345 K CA 0.286 56.622 56.287 0.083 0.000 0.951 345 K CB 0.734 33.270 32.500 0.061 0.000 1.040 345 K HN 0.550 nan 8.250 nan 0.000 0.536 346 R N 0.821 121.387 120.500 0.109 0.000 2.564 346 R HA 0.457 4.798 4.340 0.001 0.000 0.284 346 R C -1.460 174.936 176.300 0.161 0.000 1.031 346 R CA -0.746 55.453 56.100 0.165 0.000 0.904 346 R CB 1.949 32.273 30.300 0.040 0.000 1.199 346 R HN -0.111 nan 8.270 nan 0.000 0.443 347 L N 1.859 123.232 121.223 0.250 0.000 2.436 347 L HA 0.578 4.918 4.340 0.001 0.000 0.268 347 L C -1.287 175.717 176.870 0.224 0.000 0.974 347 L CA -0.437 54.510 54.840 0.178 0.000 0.826 347 L CB 1.936 44.069 42.059 0.124 0.000 1.291 347 L HN 0.680 nan 8.230 nan 0.000 0.406 348 R N 5.708 126.309 120.500 0.169 0.000 2.575 348 R HA 0.688 5.028 4.340 0.001 0.000 0.293 348 R C -1.574 174.784 176.300 0.098 0.000 0.983 348 R CA -0.627 55.575 56.100 0.170 0.000 0.887 348 R CB 1.369 31.788 30.300 0.199 0.000 1.184 348 R HN 0.739 nan 8.270 nan 0.000 0.445 349 I N 4.049 124.675 120.570 0.093 0.000 2.621 349 I HA 0.249 4.419 4.170 0.001 0.000 0.276 349 I C 0.149 176.355 176.117 0.148 0.000 1.118 349 I CA -0.660 60.687 61.300 0.079 0.000 1.159 349 I CB 0.912 38.947 38.000 0.059 0.000 1.357 349 I HN 0.574 nan 8.210 nan 0.000 0.513 350 E N 4.097 124.354 120.200 0.094 0.000 2.425 350 E HA 0.078 4.428 4.350 0.001 0.000 0.258 350 E C 0.322 176.838 176.600 -0.140 0.000 1.151 350 E CA -0.169 56.262 56.400 0.051 0.000 0.958 350 E CB 1.176 30.857 29.700 -0.031 0.000 0.968 350 E HN 0.517 nan 8.360 nan 0.000 0.451 351 R N -0.065 120.121 120.500 -0.523 0.000 2.254 351 R HA 0.513 4.853 4.340 0.001 0.000 0.318 351 R C 0.427 176.568 176.300 -0.264 0.000 1.031 351 R CA -0.386 55.431 56.100 -0.472 0.000 0.905 351 R CB 0.935 30.744 30.300 -0.820 0.000 1.050 351 R HN 0.400 nan 8.270 nan 0.000 0.456 352 G N 1.627 110.335 108.800 -0.152 0.000 2.509 352 G HA2 0.405 4.366 3.960 0.001 0.000 0.269 352 G HA3 0.405 4.366 3.960 0.001 0.000 0.269 352 G C -0.611 174.247 174.900 -0.069 0.000 1.416 352 G CA -0.694 44.352 45.100 -0.089 0.000 1.052 352 G HN 0.851 nan 8.290 nan 0.000 0.542 353 A N 0.122 122.922 122.820 -0.033 0.000 2.541 353 A HA 0.294 4.614 4.320 0.001 0.000 0.293 353 A C 0.357 177.928 177.584 -0.022 0.000 1.307 353 A CA -0.111 51.914 52.037 -0.020 0.000 0.978 353 A CB -0.285 18.716 19.000 0.001 0.000 1.111 353 A HN 0.473 nan 8.150 nan 0.000 0.535 354 D N 2.555 122.937 120.400 -0.030 0.000 2.870 354 D HA 0.069 4.710 4.640 0.001 0.000 0.241 354 D C 0.768 177.061 176.300 -0.011 0.000 1.234 354 D CA 0.395 54.381 54.000 -0.024 0.000 0.844 354 D CB 0.488 41.269 40.800 -0.032 0.000 1.051 354 D HN 0.773 nan 8.370 nan 0.000 0.469 355 E N -0.249 119.948 120.200 -0.006 0.000 2.406 355 E HA 0.057 4.408 4.350 0.001 0.000 0.200 355 E C 0.187 176.788 176.600 0.001 0.000 1.034 355 E CA -0.298 56.102 56.400 -0.001 0.000 1.057 355 E CB 0.215 29.916 29.700 0.002 0.000 1.751 355 E HN -0.021 nan 8.360 nan 0.000 0.525 356 Q N 1.808 121.610 119.800 0.003 0.000 2.534 356 Q HA 0.285 4.626 4.340 0.001 0.000 0.223 356 Q C 0.420 176.423 176.000 0.005 0.000 1.239 356 Q CA 0.393 56.199 55.803 0.005 0.000 0.936 356 Q CB 0.245 28.988 28.738 0.008 0.000 1.457 356 Q HN 0.528 nan 8.270 nan 0.000 0.547 357 G N 2.255 111.057 108.800 0.003 0.000 2.682 357 G HA2 -0.285 3.676 3.960 0.001 0.000 0.256 357 G HA3 -0.285 3.676 3.960 0.001 0.000 0.256 357 G C 0.338 175.238 174.900 -0.000 0.000 1.333 357 G CA -0.383 44.718 45.100 0.002 0.000 0.904 357 G HN 0.426 nan 8.290 nan 0.000 0.569 358 M N -0.416 119.183 119.600 -0.002 0.000 1.682 358 M HA 0.185 4.665 4.480 0.001 0.000 0.110 358 M C 1.997 178.297 176.300 -0.000 0.000 1.049 358 M CA 0.949 56.246 55.300 -0.006 0.000 0.634 358 M CB -0.960 31.635 32.600 -0.008 0.000 0.771 358 M HN 0.745 nan 8.290 nan 0.000 0.342 359 E N -0.264 119.935 120.200 -0.000 0.000 2.447 359 E HA -0.034 4.317 4.350 0.001 0.000 0.195 359 E C -0.711 175.899 176.600 0.017 0.000 1.028 359 E CA 0.337 56.744 56.400 0.012 0.000 0.876 359 E CB 0.314 30.024 29.700 0.017 0.000 0.885 359 E HN 0.602 nan 8.360 nan 0.000 0.500 360 D N -1.357 119.050 120.400 0.011 0.000 2.921 360 D HA 0.023 4.664 4.640 0.001 0.000 0.329 360 D C 0.214 176.519 176.300 0.007 0.000 1.293 360 D CA -0.647 53.361 54.000 0.013 0.000 0.964 360 D CB 0.017 40.828 40.800 0.020 0.000 1.435 360 D HN -0.234 nan 8.370 nan 0.000 0.548 361 E N -0.825 119.380 120.200 0.009 0.000 2.474 361 E HA 0.078 4.429 4.350 0.001 0.000 0.194 361 E C 0.417 177.020 176.600 0.005 0.000 1.041 361 E CA 0.656 57.060 56.400 0.007 0.000 0.874 361 E CB 0.172 29.878 29.700 0.009 0.000 0.914 361 E HN 0.480 nan 8.360 nan 0.000 0.498 362 E N -1.216 118.986 120.200 0.004 0.000 2.481 362 E HA 0.143 4.494 4.350 0.001 0.000 0.198 362 E C 0.981 177.573 176.600 -0.013 0.000 1.027 362 E CA 0.278 56.678 56.400 -0.001 0.000 0.900 362 E CB 0.751 30.453 29.700 0.003 0.000 0.993 362 E HN 0.163 nan 8.360 nan 0.000 0.482 363 G N 1.579 110.371 108.800 -0.015 0.000 3.318 363 G HA2 0.170 4.130 3.960 0.001 0.000 0.230 363 G HA3 0.170 4.130 3.960 0.001 0.000 0.230 363 G C -0.078 174.807 174.900 -0.024 0.000 1.317 363 G CA 0.111 45.194 45.100 -0.029 0.000 1.197 363 G HN -0.067 nan 8.290 nan 0.000 0.514 364 L N 0.277 121.490 121.223 -0.016 0.000 2.346 364 L HA 0.559 4.899 4.340 0.001 0.000 0.274 364 L C 0.122 176.989 176.870 -0.006 0.000 1.007 364 L CA -1.154 53.682 54.840 -0.007 0.000 0.818 364 L CB 2.239 44.298 42.059 0.000 0.000 1.284 364 L HN 0.010 nan 8.230 nan 0.000 0.424 365 V N -0.303 119.613 119.914 0.002 0.000 2.547 365 V HA 1.025 5.145 4.120 0.001 0.000 0.299 365 V C -0.061 176.045 176.094 0.020 0.000 1.040 365 V CA -0.319 61.987 62.300 0.010 0.000 0.913 365 V CB 1.448 33.279 31.823 0.013 0.000 0.992 365 V HN 0.905 nan 8.190 nan 0.000 0.449 366 S N 2.059 117.774 115.700 0.025 0.000 2.705 366 S HA 0.452 4.923 4.470 0.001 0.000 0.280 366 S C 0.554 175.178 174.600 0.040 0.000 1.174 366 S CA -0.322 57.895 58.200 0.029 0.000 0.823 366 S CB 1.656 64.870 63.200 0.023 0.000 1.162 366 S HN 0.699 nan 8.310 nan 0.000 0.487 367 Q N 0.873 120.698 119.800 0.043 0.000 2.142 367 Q HA -0.225 4.116 4.340 0.001 0.000 0.213 367 Q C 2.102 178.131 176.000 0.048 0.000 1.004 367 Q CA 2.582 58.415 55.803 0.051 0.000 0.883 367 Q CB -0.537 28.228 28.738 0.045 0.000 0.939 367 Q HN 0.721 nan 8.270 nan 0.000 0.413 368 R N -0.020 120.502 120.500 0.037 0.000 2.082 368 R HA -0.160 4.180 4.340 0.001 0.000 0.234 368 R C 2.368 178.688 176.300 0.034 0.000 1.136 368 R CA 1.864 57.983 56.100 0.032 0.000 0.935 368 R CB -0.887 29.428 30.300 0.025 0.000 0.842 368 R HN 0.413 nan 8.270 nan 0.000 0.430 369 G N 0.786 109.606 108.800 0.033 0.000 2.446 369 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 369 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 369 G C 1.501 176.429 174.900 0.047 0.000 1.168 369 G CA 0.916 46.037 45.100 0.034 0.000 0.771 369 G HN 0.260 nan 8.290 nan 0.000 0.551 370 L N -0.064 121.195 121.223 0.060 0.000 1.994 370 L HA 0.009 4.350 4.340 0.001 0.000 0.208 370 L C 2.713 179.632 176.870 0.083 0.000 1.071 370 L CA 1.014 55.905 54.840 0.085 0.000 0.745 370 L CB -0.327 41.796 42.059 0.107 0.000 0.892 370 L HN 0.248 nan 8.230 nan 0.000 0.431 371 I N -0.458 120.156 120.570 0.074 0.000 2.493 371 I HA -0.261 3.910 4.170 0.001 0.000 0.254 371 I C 2.542 178.686 176.117 0.045 0.000 1.160 371 I CA 1.145 62.490 61.300 0.075 0.000 1.445 371 I CB -0.004 38.039 38.000 0.072 0.000 1.086 371 I HN 0.200 nan 8.210 nan 0.000 0.433 372 A N 0.653 123.490 122.820 0.029 0.000 1.877 372 A HA -0.224 4.096 4.320 0.001 0.000 0.216 372 A C 2.199 179.777 177.584 -0.009 0.000 1.186 372 A CA 1.893 53.931 52.037 0.002 0.000 0.620 372 A CB -0.966 18.039 19.000 0.009 0.000 0.822 372 A HN 0.517 nan 8.150 nan 0.000 0.443 373 L N -0.232 121.004 121.223 0.021 0.000 2.056 373 L HA -0.010 4.330 4.340 0.001 0.000 0.207 373 L C 2.616 179.500 176.870 0.024 0.000 1.078 373 L CA 2.188 57.046 54.840 0.029 0.000 0.749 373 L CB -0.717 41.377 42.059 0.059 0.000 0.901 373 L HN 0.326 nan 8.230 nan 0.000 0.433 374 A N -1.060 121.790 122.820 0.049 0.000 1.978 374 A HA -0.260 4.060 4.320 0.001 0.000 0.220 374 A C 2.178 179.736 177.584 -0.043 0.000 1.170 374 A CA 2.047 54.131 52.037 0.078 0.000 0.636 374 A CB -0.508 18.584 19.000 0.153 0.000 0.810 374 A HN 0.723 nan 8.150 nan 0.000 0.448 375 Q N -1.339 118.353 119.800 -0.180 0.000 2.204 375 Q HA 0.032 4.372 4.340 0.001 0.000 0.198 375 Q C 2.247 178.060 176.000 -0.312 0.000 0.946 375 Q CA 0.818 56.327 55.803 -0.489 0.000 0.859 375 Q CB -0.197 28.291 28.738 -0.416 0.000 0.946 375 Q HN 0.641 nan 8.270 nan 0.000 0.474 376 G N 0.543 109.249 108.800 -0.156 0.000 2.404 376 G HA2 -0.134 3.827 3.960 0.001 0.000 0.213 376 G HA3 -0.134 3.827 3.960 0.001 0.000 0.213 376 G C 0.563 175.427 174.900 -0.060 0.000 1.189 376 G CA 0.326 45.364 45.100 -0.104 0.000 0.796 376 G HN 0.336 nan 8.290 nan 0.000 0.532 377 C N 1.782 121.070 119.300 -0.021 0.000 2.225 377 C HA 0.421 4.882 4.460 0.001 0.000 0.437 377 C C 1.402 176.412 174.990 0.034 0.000 1.039 377 C CA -0.682 58.345 59.018 0.016 0.000 1.406 377 C CB -0.739 27.026 27.740 0.041 0.000 1.548 377 C HN 0.510 nan 8.230 nan 0.000 0.515 378 Q N 0.120 119.935 119.800 0.024 0.000 2.451 378 Q HA -0.031 4.309 4.340 0.001 0.000 0.206 378 Q C 1.439 177.478 176.000 0.066 0.000 0.947 378 Q CA 0.718 56.554 55.803 0.054 0.000 0.937 378 Q CB 0.358 29.128 28.738 0.053 0.000 1.025 378 Q HN 0.758 nan 8.270 nan 0.000 0.511 379 E N 0.420 120.655 120.200 0.057 0.000 2.489 379 E HA 0.064 4.414 4.350 0.001 0.000 0.193 379 E C -0.136 176.511 176.600 0.078 0.000 1.057 379 E CA -0.211 56.226 56.400 0.061 0.000 0.866 379 E CB 0.297 30.027 29.700 0.049 0.000 0.916 379 E HN 0.310 nan 8.360 nan 0.000 0.500 380 L N 1.733 123.011 121.223 0.091 0.000 2.615 380 L HA -0.132 4.208 4.340 0.001 0.000 0.284 380 L C 1.149 178.098 176.870 0.132 0.000 1.237 380 L CA 0.891 55.801 54.840 0.117 0.000 0.905 380 L CB 0.267 42.405 42.059 0.131 0.000 1.149 380 L HN 0.181 nan 8.230 nan 0.000 0.499 381 E N 2.367 122.660 120.200 0.155 0.000 2.421 381 E HA 0.043 4.393 4.350 0.001 0.000 0.209 381 E C -0.845 175.901 176.600 0.243 0.000 0.871 381 E CA 0.012 56.515 56.400 0.170 0.000 1.064 381 E CB 0.853 30.639 29.700 0.143 0.000 1.075 381 E HN 0.489 nan 8.360 nan 0.000 0.513 382 Y N 1.205 121.568 120.300 0.105 0.000 2.386 382 Y HA 0.504 5.055 4.550 0.001 0.000 0.334 382 Y C -1.425 174.534 175.900 0.098 0.000 1.002 382 Y CA -0.890 57.274 58.100 0.106 0.000 1.068 382 Y CB 1.414 39.916 38.460 0.072 0.000 1.203 382 Y HN -0.194 nan 8.280 nan 0.000 0.443 383 M N 6.214 125.680 119.600 -0.223 0.000 2.149 383 M HA 0.769 5.249 4.480 0.001 0.000 0.273 383 M C -1.959 174.057 176.300 -0.474 0.000 0.972 383 M CA -0.490 54.717 55.300 -0.155 0.000 0.984 383 M CB 1.148 33.788 32.600 0.067 0.000 1.699 383 M HN 0.844 nan 8.290 nan 0.000 0.462 384 A N 4.570 127.180 122.820 -0.349 0.000 2.330 384 A HA 0.865 5.185 4.320 0.001 0.000 0.313 384 A C -1.525 175.951 177.584 -0.181 0.000 1.124 384 A CA -0.556 51.273 52.037 -0.347 0.000 0.774 384 A CB 1.585 20.453 19.000 -0.220 0.000 1.198 384 A HN 0.595 nan 8.150 nan 0.000 0.465 385 V N 2.548 122.299 119.914 -0.272 0.000 2.777 385 V HA 0.297 4.417 4.120 0.001 0.000 0.306 385 V C -1.664 174.314 176.094 -0.193 0.000 1.112 385 V CA -0.411 61.803 62.300 -0.143 0.000 0.917 385 V CB 1.902 33.651 31.823 -0.123 0.000 1.018 385 V HN 0.814 nan 8.190 nan 0.000 0.426 386 Y N 3.382 123.632 120.300 -0.083 0.000 2.454 386 Y HA 0.559 5.109 4.550 0.001 0.000 0.345 386 Y C 0.218 176.084 175.900 -0.057 0.000 0.970 386 Y CA -0.196 57.858 58.100 -0.076 0.000 1.204 386 Y CB 1.776 40.198 38.460 -0.064 0.000 1.122 386 Y HN 0.446 nan 8.280 nan 0.000 0.514 387 V N 2.820 122.764 119.914 0.050 0.000 2.713 387 V HA 0.286 4.406 4.120 0.001 0.000 0.307 387 V C 0.428 176.543 176.094 0.035 0.000 1.052 387 V CA -0.061 62.259 62.300 0.033 0.000 0.967 387 V CB 1.994 33.822 31.823 0.010 0.000 1.019 387 V HN 0.862 nan 8.190 nan 0.000 0.459 388 S N 3.066 118.782 115.700 0.027 0.000 2.517 388 S HA 0.252 4.722 4.470 0.001 0.000 0.214 388 S C -0.148 174.459 174.600 0.011 0.000 0.991 388 S CA -0.044 58.167 58.200 0.019 0.000 0.906 388 S CB 0.027 63.236 63.200 0.014 0.000 0.789 388 S HN 0.854 nan 8.310 nan 0.000 0.513 389 D N 0.270 120.678 120.400 0.014 0.000 2.812 389 D HA 0.444 5.084 4.640 0.001 0.000 0.210 389 D C -1.581 174.733 176.300 0.023 0.000 1.260 389 D CA -0.565 53.443 54.000 0.014 0.000 0.817 389 D CB 0.984 41.792 40.800 0.014 0.000 1.694 389 D HN 0.018 nan 8.370 nan 0.000 0.530 390 I N 0.057 120.642 120.570 0.025 0.000 3.067 390 I HA 0.842 5.012 4.170 0.001 0.000 0.312 390 I C -0.058 176.089 176.117 0.050 0.000 1.073 390 I CA -0.826 60.501 61.300 0.045 0.000 1.016 390 I CB 1.868 39.903 38.000 0.058 0.000 1.227 390 I HN 0.226 nan 8.210 nan 0.000 0.456 391 T N -0.075 114.517 114.554 0.064 0.000 2.909 391 T HA 0.355 4.706 4.350 0.001 0.000 0.299 391 T C 0.508 175.253 174.700 0.075 0.000 1.073 391 T CA -0.575 61.561 62.100 0.060 0.000 0.999 391 T CB 1.104 70.001 68.868 0.048 0.000 1.098 391 T HN 0.660 nan 8.240 nan 0.000 0.477 392 N N 1.740 120.483 118.700 0.072 0.000 2.184 392 N HA -0.163 4.578 4.740 0.001 0.000 0.190 392 N C 1.550 177.090 175.510 0.051 0.000 1.011 392 N CA 1.443 54.535 53.050 0.071 0.000 0.867 392 N CB 0.051 38.573 38.487 0.058 0.000 0.993 392 N HN 0.758 nan 8.380 nan 0.000 0.433 393 E N 0.940 121.166 120.200 0.044 0.000 2.058 393 E HA -0.173 4.178 4.350 0.001 0.000 0.194 393 E C 1.998 178.624 176.600 0.044 0.000 0.997 393 E CA 1.671 58.092 56.400 0.034 0.000 0.801 393 E CB 0.087 29.808 29.700 0.035 0.000 0.746 393 E HN 0.399 nan 8.360 nan 0.000 0.450 394 S N 1.149 116.885 115.700 0.061 0.000 2.359 394 S HA -0.184 4.286 4.470 0.001 0.000 0.224 394 S C 2.196 176.841 174.600 0.075 0.000 1.035 394 S CA 1.292 59.538 58.200 0.077 0.000 1.018 394 S CB -0.818 62.436 63.200 0.090 0.000 0.876 394 S HN 0.306 nan 8.310 nan 0.000 0.448 395 L N 1.385 122.653 121.223 0.076 0.000 2.079 395 L HA -0.127 4.213 4.340 0.001 0.000 0.210 395 L C 2.885 179.742 176.870 -0.022 0.000 1.081 395 L CA 1.770 56.634 54.840 0.040 0.000 0.752 395 L CB -0.893 41.211 42.059 0.075 0.000 0.896 395 L HN 0.412 nan 8.230 nan 0.000 0.433 396 E N 0.362 120.552 120.200 -0.017 0.000 2.110 396 E HA -0.175 4.176 4.350 0.001 0.000 0.193 396 E C 2.307 178.874 176.600 -0.055 0.000 0.988 396 E CA 1.648 58.015 56.400 -0.056 0.000 0.804 396 E CB -0.062 29.608 29.700 -0.050 0.000 0.745 396 E HN 0.558 nan 8.360 nan 0.000 0.458 397 S N 0.918 116.621 115.700 0.004 0.000 2.406 397 S HA -0.085 4.386 4.470 0.001 0.000 0.228 397 S C 2.034 176.691 174.600 0.094 0.000 1.020 397 S CA 0.405 58.643 58.200 0.064 0.000 0.965 397 S CB -0.163 63.131 63.200 0.157 0.000 0.798 397 S HN 0.111 nan 8.310 nan 0.000 0.488 398 I N 2.822 123.423 120.570 0.052 0.000 2.076 398 I HA -0.146 4.024 4.170 0.001 0.000 0.237 398 I C 2.842 178.944 176.117 -0.025 0.000 1.059 398 I CA 1.924 63.240 61.300 0.027 0.000 1.317 398 I CB -1.941 36.020 38.000 -0.065 0.000 1.037 398 I HN 0.468 nan 8.210 nan 0.000 0.398 399 G N -0.938 107.805 108.800 -0.095 0.000 2.535 399 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 399 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 399 G C 1.688 176.517 174.900 -0.118 0.000 1.122 399 G CA 1.303 46.329 45.100 -0.123 0.000 0.769 399 G HN 0.357 nan 8.290 nan 0.000 0.549 400 T N -1.632 112.843 114.554 -0.132 0.000 3.033 400 T HA 0.158 4.508 4.350 0.001 0.000 0.248 400 T C 1.776 176.305 174.700 -0.285 0.000 1.040 400 T CA 0.447 62.394 62.100 -0.256 0.000 1.133 400 T CB 0.042 68.683 68.868 -0.378 0.000 0.895 400 T HN 0.400 nan 8.240 nan 0.000 0.465 401 Y N 0.458 120.748 120.300 -0.018 0.000 2.500 401 Y HA 0.358 4.908 4.550 0.001 0.000 0.284 401 Y C 0.172 176.074 175.900 0.004 0.000 1.118 401 Y CA -0.388 57.709 58.100 -0.004 0.000 1.241 401 Y CB 0.563 39.025 38.460 0.003 0.000 1.171 401 Y HN 0.086 nan 8.280 nan 0.000 0.540 402 L N -0.531 120.788 121.223 0.161 0.000 2.297 402 L HA 0.524 4.864 4.340 0.001 0.000 0.277 402 L C 0.182 177.094 176.870 0.071 0.000 1.040 402 L CA -0.541 54.367 54.840 0.114 0.000 0.867 402 L CB 1.035 43.166 42.059 0.119 0.000 1.244 402 L HN -0.257 nan 8.230 nan 0.000 0.433 403 K N 1.774 122.210 120.400 0.060 0.000 2.137 403 K HA 0.045 4.366 4.320 0.001 0.000 0.202 403 K C 0.885 177.512 176.600 0.044 0.000 1.052 403 K CA 1.057 57.365 56.287 0.035 0.000 0.961 403 K CB 0.022 32.537 32.500 0.025 0.000 0.741 403 K HN 0.798 nan 8.250 nan 0.000 0.452 404 N N 0.678 119.414 118.700 0.059 0.000 2.389 404 N HA 0.030 4.771 4.740 0.001 0.000 0.237 404 N C -0.444 175.120 175.510 0.090 0.000 1.148 404 N CA -0.044 53.046 53.050 0.067 0.000 0.854 404 N CB -0.202 38.322 38.487 0.061 0.000 1.115 404 N HN 0.037 nan 8.380 nan 0.000 0.492 405 L N 0.279 121.561 121.223 0.098 0.000 2.534 405 L HA -0.024 4.317 4.340 0.001 0.000 0.271 405 L C 0.321 177.275 176.870 0.139 0.000 1.178 405 L CA -0.066 54.854 54.840 0.133 0.000 0.907 405 L CB 0.402 42.541 42.059 0.134 0.000 1.164 405 L HN 0.393 nan 8.230 nan 0.000 0.482 406 C N 2.340 121.740 119.300 0.166 0.000 2.689 406 C HA 0.207 4.668 4.460 0.001 0.000 0.336 406 C C 0.581 175.702 174.990 0.219 0.000 1.304 406 C CA -0.166 58.955 59.018 0.172 0.000 1.860 406 C CB -0.036 27.799 27.740 0.160 0.000 2.405 406 C HN 0.735 nan 8.230 nan 0.000 0.557 407 D N -0.033 120.503 120.400 0.225 0.000 2.620 407 D HA 0.388 5.029 4.640 0.001 0.000 0.252 407 D C -1.646 174.720 176.300 0.110 0.000 1.207 407 D CA -0.108 54.012 54.000 0.200 0.000 0.884 407 D CB 1.030 41.961 40.800 0.219 0.000 1.262 407 D HN 0.213 nan 8.370 nan 0.000 0.552 408 F N 4.234 124.226 119.950 0.070 0.000 2.536 408 F HA 0.522 5.050 4.527 0.001 0.000 0.322 408 F C -0.951 174.834 175.800 -0.024 0.000 1.144 408 F CA -0.614 57.403 58.000 0.028 0.000 0.924 408 F CB 1.031 40.138 39.000 0.177 0.000 1.181 408 F HN 0.155 nan 8.300 nan 0.000 0.438 409 R N 7.113 127.122 120.500 -0.818 0.000 2.575 409 R HA 0.650 4.990 4.340 0.001 0.000 0.293 409 R C -2.035 173.771 176.300 -0.823 0.000 0.983 409 R CA -1.117 54.609 56.100 -0.622 0.000 0.887 409 R CB 2.506 32.610 30.300 -0.326 0.000 1.184 409 R HN 0.553 nan 8.270 nan 0.000 0.445 410 L N 3.514 124.400 121.223 -0.561 0.000 2.409 410 L HA 0.578 4.918 4.340 0.001 0.000 0.272 410 L C -1.449 175.188 176.870 -0.390 0.000 0.980 410 L CA -0.783 53.797 54.840 -0.433 0.000 0.826 410 L CB 2.273 44.235 42.059 -0.161 0.000 1.268 410 L HN 0.437 nan 8.230 nan 0.000 0.407 411 V N 5.709 125.371 119.914 -0.419 0.000 2.577 411 V HA 0.396 4.517 4.120 0.001 0.000 0.303 411 V C -0.428 175.561 176.094 -0.176 0.000 1.042 411 V CA -0.771 61.326 62.300 -0.338 0.000 0.872 411 V CB 2.116 33.534 31.823 -0.676 0.000 0.998 411 V HN 0.648 nan 8.190 nan 0.000 0.423 412 L N 4.834 126.016 121.223 -0.068 0.000 2.272 412 L HA 0.673 5.014 4.340 0.001 0.000 0.289 412 L C -0.510 176.384 176.870 0.041 0.000 1.032 412 L CA -0.118 54.711 54.840 -0.019 0.000 0.810 412 L CB 0.888 42.915 42.059 -0.053 0.000 1.205 412 L HN 0.294 nan 8.230 nan 0.000 0.422 413 L N 3.260 124.519 121.223 0.061 0.000 2.483 413 L HA 0.126 4.466 4.340 0.001 0.000 0.276 413 L C 0.967 177.850 176.870 0.021 0.000 1.213 413 L CA 0.518 55.394 54.840 0.060 0.000 0.843 413 L CB 0.080 42.171 42.059 0.052 0.000 1.107 413 L HN 0.725 nan 8.230 nan 0.000 0.487 414 D N 1.089 121.498 120.400 0.015 0.000 2.349 414 D HA -0.039 4.601 4.640 0.001 0.000 0.224 414 D C 1.825 178.118 176.300 -0.012 0.000 1.029 414 D CA 0.159 54.150 54.000 -0.015 0.000 0.879 414 D CB 0.216 41.001 40.800 -0.024 0.000 0.906 414 D HN 0.358 nan 8.370 nan 0.000 0.528 415 R N 1.259 121.757 120.500 -0.002 0.000 2.094 415 R HA -0.107 4.233 4.340 0.001 0.000 0.239 415 R C 0.458 176.754 176.300 -0.007 0.000 1.137 415 R CA 1.153 57.250 56.100 -0.004 0.000 0.943 415 R CB -0.138 30.162 30.300 -0.001 0.000 0.850 415 R HN 0.006 nan 8.270 nan 0.000 0.433 416 E N 0.979 121.175 120.200 -0.006 0.000 2.373 416 E HA -0.031 4.320 4.350 0.001 0.000 0.267 416 E C 0.694 177.286 176.600 -0.014 0.000 1.032 416 E CA 0.031 56.426 56.400 -0.007 0.000 0.889 416 E CB 0.921 30.619 29.700 -0.004 0.000 0.984 416 E HN 0.288 nan 8.360 nan 0.000 0.425 417 E N 2.145 122.338 120.200 -0.012 0.000 2.045 417 E HA -0.002 4.348 4.350 0.001 0.000 0.190 417 E C 0.217 176.807 176.600 -0.016 0.000 0.968 417 E CA 0.871 57.261 56.400 -0.016 0.000 0.813 417 E CB 0.150 29.843 29.700 -0.012 0.000 0.780 417 E HN 0.350 nan 8.360 nan 0.000 0.455 418 R N 0.650 121.143 120.500 -0.010 0.000 2.407 418 R HA 0.509 4.850 4.340 0.001 0.000 0.303 418 R C -0.526 175.771 176.300 -0.005 0.000 0.981 418 R CA -0.610 55.486 56.100 -0.008 0.000 0.905 418 R CB 1.177 31.475 30.300 -0.004 0.000 1.099 418 R HN -0.089 nan 8.270 nan 0.000 0.459 419 I N 1.887 122.454 120.570 -0.004 0.000 2.378 419 I HA 0.150 4.321 4.170 0.001 0.000 0.291 419 I C 1.131 177.253 176.117 0.008 0.000 0.992 419 I CA 0.011 61.312 61.300 0.001 0.000 1.154 419 I CB 1.809 39.807 38.000 -0.003 0.000 1.315 419 I HN 0.701 nan 8.210 nan 0.000 0.448 420 T N 3.326 117.887 114.554 0.012 0.000 2.152 420 T HA -0.268 4.082 4.350 0.001 0.000 0.194 420 T C 0.294 175.005 174.700 0.018 0.000 1.715 420 T CA 2.018 64.127 62.100 0.016 0.000 1.135 420 T CB -0.453 68.427 68.868 0.020 0.000 0.856 420 T HN 0.818 nan 8.240 nan 0.000 0.393 421 D N 0.869 121.284 120.400 0.025 0.000 2.233 421 D HA 0.436 5.077 4.640 0.001 0.000 0.240 421 D C 0.480 176.801 176.300 0.034 0.000 1.074 421 D CA -0.700 53.317 54.000 0.029 0.000 0.838 421 D CB 0.916 41.735 40.800 0.032 0.000 1.124 421 D HN 0.072 nan 8.370 nan 0.000 0.475 422 L N 3.337 124.579 121.223 0.031 0.000 2.208 422 L HA 0.370 4.711 4.340 0.001 0.000 0.196 422 L C -1.776 175.126 176.870 0.055 0.000 1.130 422 L CA 0.197 55.057 54.840 0.034 0.000 0.791 422 L CB -1.310 40.759 42.059 0.018 0.000 0.969 422 L HN 0.444 nan 8.230 nan 0.000 0.468 423 P HA -0.031 nan 4.420 nan 0.000 0.256 423 P C 0.150 177.510 177.300 0.100 0.000 1.173 423 P CA 1.014 64.157 63.100 0.072 0.000 0.768 423 P CB 0.069 31.802 31.700 0.056 0.000 0.758 424 L N 2.303 123.613 121.223 0.145 0.000 2.653 424 L HA 0.035 4.376 4.340 0.001 0.000 0.231 424 L C 1.277 178.259 176.870 0.186 0.000 1.153 424 L CA 0.092 55.042 54.840 0.184 0.000 0.933 424 L CB -0.331 41.900 42.059 0.288 0.000 1.175 424 L HN 0.262 nan 8.230 nan 0.000 0.473 425 D N 0.795 121.298 120.400 0.172 0.000 2.170 425 D HA -0.234 4.407 4.640 0.001 0.000 0.193 425 D C 1.586 178.066 176.300 0.299 0.000 1.004 425 D CA 1.436 55.574 54.000 0.230 0.000 0.860 425 D CB -0.054 40.844 40.800 0.164 0.000 0.931 425 D HN 0.379 nan 8.370 nan 0.000 0.448 426 N N -0.094 118.710 118.700 0.173 0.000 2.395 426 N HA -0.006 4.735 4.740 0.001 0.000 0.175 426 N C 1.945 177.447 175.510 -0.014 0.000 1.029 426 N CA 0.814 53.903 53.050 0.064 0.000 0.897 426 N CB -0.019 38.496 38.487 0.046 0.000 0.991 426 N HN 0.218 nan 8.380 nan 0.000 0.441 427 G N 1.533 110.355 108.800 0.036 0.000 2.414 427 G HA2 -0.141 3.820 3.960 0.001 0.000 0.215 427 G HA3 -0.141 3.820 3.960 0.001 0.000 0.215 427 G C 1.699 176.586 174.900 -0.022 0.000 1.188 427 G CA 0.727 45.838 45.100 0.019 0.000 0.783 427 G HN 0.120 nan 8.290 nan 0.000 0.537 428 V N 1.181 121.101 119.914 0.009 0.000 2.282 428 V HA -0.257 3.864 4.120 0.001 0.000 0.249 428 V C 2.749 178.733 176.094 -0.183 0.000 1.057 428 V CA 2.309 64.538 62.300 -0.117 0.000 1.032 428 V CB -0.681 31.055 31.823 -0.146 0.000 0.645 428 V HN 0.388 nan 8.190 nan 0.000 0.447 429 R N 0.909 121.311 120.500 -0.163 0.000 2.080 429 R HA -0.206 4.135 4.340 0.001 0.000 0.236 429 R C 2.548 178.587 176.300 -0.435 0.000 1.137 429 R CA 2.380 58.254 56.100 -0.377 0.000 0.943 429 R CB -0.482 29.457 30.300 -0.602 0.000 0.846 429 R HN 0.696 nan 8.270 nan 0.000 0.431 430 S N 1.315 116.824 115.700 -0.319 0.000 2.399 430 S HA -0.148 4.322 4.470 0.001 0.000 0.231 430 S C 1.954 176.405 174.600 -0.248 0.000 1.022 430 S CA 0.973 59.003 58.200 -0.283 0.000 0.983 430 S CB -0.462 62.618 63.200 -0.201 0.000 0.803 430 S HN 0.335 nan 8.310 nan 0.000 0.480 431 L N 2.303 123.388 121.223 -0.230 0.000 1.976 431 L HA 0.114 4.455 4.340 0.001 0.000 0.209 431 L C 2.093 178.805 176.870 -0.263 0.000 1.071 431 L CA 1.578 56.274 54.840 -0.239 0.000 0.746 431 L CB -1.326 40.577 42.059 -0.261 0.000 0.890 431 L HN 0.331 nan 8.230 nan 0.000 0.432 432 L N -0.729 120.311 121.223 -0.305 0.000 2.187 432 L HA -0.226 4.115 4.340 0.001 0.000 0.213 432 L C 2.493 179.242 176.870 -0.201 0.000 1.100 432 L CA 1.275 55.944 54.840 -0.286 0.000 0.765 432 L CB -0.425 41.463 42.059 -0.285 0.000 0.904 432 L HN 0.352 nan 8.230 nan 0.000 0.437 433 I N -1.006 119.407 120.570 -0.261 0.000 2.584 433 I HA -0.053 4.117 4.170 0.001 0.000 0.255 433 I C 2.541 178.564 176.117 -0.156 0.000 1.145 433 I CA 0.949 62.113 61.300 -0.228 0.000 1.462 433 I CB -0.618 37.153 38.000 -0.382 0.000 1.102 433 I HN 0.183 nan 8.210 nan 0.000 0.433 434 G N 0.717 109.419 108.800 -0.163 0.000 2.396 434 G HA2 -0.123 3.838 3.960 0.001 0.000 0.214 434 G HA3 -0.123 3.838 3.960 0.001 0.000 0.214 434 G C 0.677 175.524 174.900 -0.087 0.000 1.166 434 G CA 0.166 45.192 45.100 -0.123 0.000 0.793 434 G HN 0.419 nan 8.290 nan 0.000 0.533 435 C N 2.271 121.515 119.300 -0.094 0.000 2.158 435 C HA 0.404 4.865 4.460 0.001 0.000 0.350 435 C C 1.334 176.298 174.990 -0.042 0.000 1.064 435 C CA -1.122 57.864 59.018 -0.053 0.000 1.507 435 C CB -0.575 27.132 27.740 -0.054 0.000 1.934 435 C HN 0.586 nan 8.230 nan 0.000 0.479 436 K N 0.807 121.193 120.400 -0.023 0.000 2.417 436 K HA 0.110 4.431 4.320 0.001 0.000 0.196 436 K C 0.935 177.541 176.600 0.011 0.000 1.023 436 K CA 0.218 56.498 56.287 -0.013 0.000 1.122 436 K CB 0.177 32.670 32.500 -0.012 0.000 0.850 436 K HN 0.527 nan 8.250 nan 0.000 0.521 437 K N 0.774 121.189 120.400 0.025 0.000 2.374 437 K HA 0.124 4.445 4.320 0.001 0.000 0.196 437 K C -0.039 176.602 176.600 0.069 0.000 1.023 437 K CA -0.367 55.948 56.287 0.046 0.000 1.103 437 K CB 0.188 32.719 32.500 0.052 0.000 0.848 437 K HN 0.026 nan 8.250 nan 0.000 0.528 438 L N 1.996 123.258 121.223 0.066 0.000 2.615 438 L HA -0.085 4.256 4.340 0.001 0.000 0.271 438 L C 1.092 178.037 176.870 0.125 0.000 1.183 438 L CA 0.891 55.795 54.840 0.105 0.000 0.933 438 L CB 0.182 42.280 42.059 0.066 0.000 1.199 438 L HN 0.046 nan 8.230 nan 0.000 0.487 439 R N 3.241 123.846 120.500 0.175 0.000 2.257 439 R HA 0.274 4.615 4.340 0.001 0.000 0.195 439 R C -0.172 176.299 176.300 0.285 0.000 0.921 439 R CA 0.018 56.233 56.100 0.191 0.000 1.069 439 R CB 0.480 30.879 30.300 0.165 0.000 1.115 439 R HN 0.523 nan 8.270 nan 0.000 0.571 440 R N 0.406 121.121 120.500 0.360 0.000 2.621 440 R HA 0.373 4.713 4.340 0.001 0.000 0.292 440 R C -1.546 175.072 176.300 0.531 0.000 0.969 440 R CA -0.631 55.803 56.100 0.558 0.000 0.887 440 R CB 2.145 32.830 30.300 0.641 0.000 1.180 440 R HN -0.122 nan 8.270 nan 0.000 0.450 441 F N 1.452 121.520 119.950 0.196 0.000 2.588 441 F HA 0.642 5.169 4.527 0.001 0.000 0.318 441 F C -1.671 174.052 175.800 -0.128 0.000 1.155 441 F CA -0.460 57.605 58.000 0.108 0.000 0.967 441 F CB 1.899 40.957 39.000 0.097 0.000 1.236 441 F HN 0.706 nan 8.300 nan 0.000 0.455 442 A N 5.300 127.757 122.820 -0.605 0.000 2.371 442 A HA 0.829 5.150 4.320 0.001 0.000 0.311 442 A C -2.292 174.993 177.584 -0.497 0.000 1.068 442 A CA -0.497 51.205 52.037 -0.558 0.000 0.744 442 A CB 1.075 19.915 19.000 -0.266 0.000 1.239 442 A HN 0.716 nan 8.150 nan 0.000 0.435 443 F N 2.002 121.645 119.950 -0.511 0.000 2.941 443 F HA 0.437 4.965 4.527 0.001 0.000 0.359 443 F C -1.568 174.179 175.800 -0.088 0.000 1.231 443 F CA -0.477 57.345 58.000 -0.295 0.000 1.089 443 F CB 1.305 40.154 39.000 -0.252 0.000 1.407 443 F HN 0.580 nan 8.300 nan 0.000 0.538 444 Y N 6.842 126.945 120.300 -0.327 0.000 2.345 444 Y HA 0.705 5.256 4.550 0.001 0.000 0.331 444 Y C -1.153 174.625 175.900 -0.203 0.000 0.959 444 Y CA -0.517 57.469 58.100 -0.190 0.000 1.204 444 Y CB 0.742 39.099 38.460 -0.172 0.000 1.135 444 Y HN 0.479 nan 8.280 nan 0.000 0.477 445 L N 3.873 125.027 121.223 -0.115 0.000 2.343 445 L HA 0.648 4.989 4.340 0.001 0.000 0.264 445 L C -0.237 176.595 176.870 -0.064 0.000 1.050 445 L CA -1.435 53.352 54.840 -0.087 0.000 0.956 445 L CB 1.277 43.265 42.059 -0.118 0.000 1.576 445 L HN 0.400 nan 8.230 nan 0.000 0.521 446 R N -0.539 119.879 120.500 -0.136 0.000 2.797 446 R HA 0.206 4.547 4.340 0.001 0.000 0.251 446 R C 0.707 176.890 176.300 -0.195 0.000 1.107 446 R CA -0.605 55.316 56.100 -0.299 0.000 1.084 446 R CB 1.180 31.356 30.300 -0.208 0.000 1.205 446 R HN 0.472 nan 8.270 nan 0.000 0.515 447 Q N 0.774 120.435 119.800 -0.233 0.000 2.014 447 Q HA -0.101 4.240 4.340 0.001 0.000 0.207 447 Q C 1.613 177.596 176.000 -0.028 0.000 0.993 447 Q CA 2.437 58.195 55.803 -0.076 0.000 0.850 447 Q CB -0.868 27.830 28.738 -0.067 0.000 0.916 447 Q HN 0.923 nan 8.270 nan 0.000 0.417 448 G N -0.458 108.320 108.800 -0.037 0.000 2.653 448 G HA2 -0.083 3.877 3.960 0.001 0.000 0.212 448 G HA3 -0.083 3.877 3.960 0.001 0.000 0.212 448 G C 1.300 176.207 174.900 0.012 0.000 1.138 448 G CA 0.724 45.819 45.100 -0.009 0.000 0.782 448 G HN 0.498 nan 8.290 nan 0.000 0.535 449 G N -0.248 108.559 108.800 0.012 0.000 2.442 449 G HA2 0.068 4.028 3.960 0.001 0.000 0.219 449 G HA3 0.068 4.028 3.960 0.001 0.000 0.219 449 G C 0.318 175.279 174.900 0.100 0.000 1.141 449 G CA 0.623 45.748 45.100 0.041 0.000 0.763 449 G HN 0.428 nan 8.290 nan 0.000 0.554 450 L N 0.286 121.568 121.223 0.099 0.000 2.493 450 L HA 0.480 4.820 4.340 0.001 0.000 0.265 450 L C 0.089 177.003 176.870 0.073 0.000 0.954 450 L CA -0.475 54.437 54.840 0.120 0.000 0.844 450 L CB 2.224 44.397 42.059 0.190 0.000 1.302 450 L HN 0.150 nan 8.230 nan 0.000 0.405 451 T N -1.195 113.386 114.554 0.045 0.000 2.918 451 T HA 0.310 4.661 4.350 0.001 0.000 0.283 451 T C 0.617 175.315 174.700 -0.004 0.000 1.001 451 T CA -0.493 61.618 62.100 0.018 0.000 1.041 451 T CB 0.968 69.835 68.868 -0.002 0.000 1.028 451 T HN 0.571 nan 8.240 nan 0.000 0.511 452 D N 0.409 120.811 120.400 0.003 0.000 2.190 452 D HA -0.121 4.519 4.640 0.001 0.000 0.200 452 D C 1.897 178.145 176.300 -0.086 0.000 0.992 452 D CA 0.662 54.659 54.000 -0.005 0.000 0.854 452 D CB -0.221 40.585 40.800 0.009 0.000 0.936 452 D HN 0.435 nan 8.370 nan 0.000 0.462 453 L N 0.621 121.754 121.223 -0.149 0.000 2.017 453 L HA -0.094 4.246 4.340 0.001 0.000 0.208 453 L C 2.170 178.662 176.870 -0.630 0.000 1.073 453 L CA 2.098 56.738 54.840 -0.333 0.000 0.745 453 L CB -0.999 40.890 42.059 -0.284 0.000 0.894 453 L HN 0.104 nan 8.230 nan 0.000 0.432 454 G N 0.077 108.640 108.800 -0.394 0.000 2.421 454 G HA2 -0.284 3.676 3.960 0.001 0.000 0.216 454 G HA3 -0.284 3.676 3.960 0.001 0.000 0.216 454 G C 1.686 176.551 174.900 -0.059 0.000 1.171 454 G CA 0.780 45.737 45.100 -0.237 0.000 0.775 454 G HN 0.397 nan 8.290 nan 0.000 0.543 455 L N 1.365 122.580 121.223 -0.013 0.000 2.013 455 L HA -0.203 4.137 4.340 0.001 0.000 0.212 455 L C 3.301 180.254 176.870 0.137 0.000 1.073 455 L CA 2.203 57.081 54.840 0.064 0.000 0.753 455 L CB -0.336 41.752 42.059 0.049 0.000 0.890 455 L HN 0.470 nan 8.230 nan 0.000 0.432 456 S N -1.630 114.100 115.700 0.051 0.000 2.442 456 S HA -0.234 4.237 4.470 0.001 0.000 0.236 456 S C 1.876 176.573 174.600 0.161 0.000 1.007 456 S CA 0.819 59.069 58.200 0.084 0.000 0.965 456 S CB -0.842 62.355 63.200 -0.005 0.000 0.773 456 S HN 0.558 nan 8.310 nan 0.000 0.504 457 Y N 1.329 121.694 120.300 0.108 0.000 2.181 457 Y HA -0.086 4.465 4.550 0.001 0.000 0.288 457 Y C 2.435 178.434 175.900 0.164 0.000 1.146 457 Y CA 1.044 59.250 58.100 0.176 0.000 1.164 457 Y CB -0.327 38.221 38.460 0.147 0.000 0.982 457 Y HN 0.283 nan 8.280 nan 0.000 0.515 458 I N -0.366 120.369 120.570 0.274 0.000 2.142 458 I HA -0.288 3.883 4.170 0.001 0.000 0.240 458 I C 2.730 178.930 176.117 0.137 0.000 1.078 458 I CA 1.494 62.889 61.300 0.160 0.000 1.343 458 I CB -0.939 37.188 38.000 0.211 0.000 1.046 458 I HN 0.239 nan 8.210 nan 0.000 0.405 459 G N -0.323 108.581 108.800 0.174 0.000 2.440 459 G HA2 -0.315 3.646 3.960 0.001 0.000 0.218 459 G HA3 -0.315 3.646 3.960 0.001 0.000 0.218 459 G C 1.599 176.399 174.900 -0.167 0.000 1.154 459 G CA 0.691 45.697 45.100 -0.156 0.000 0.767 459 G HN 0.402 nan 8.290 nan 0.000 0.552 460 Q N -1.080 118.640 119.800 -0.134 0.000 2.172 460 Q HA -0.003 4.337 4.340 0.001 0.000 0.200 460 Q C 0.852 176.540 176.000 -0.521 0.000 0.964 460 Q CA 0.796 56.385 55.803 -0.357 0.000 0.855 460 Q CB 0.011 28.482 28.738 -0.445 0.000 0.918 460 Q HN 0.686 nan 8.270 nan 0.000 0.444 461 Y N -0.652 119.602 120.300 -0.077 0.000 2.720 461 Y HA 0.224 4.775 4.550 0.001 0.000 0.268 461 Y C -0.213 175.598 175.900 -0.149 0.000 1.142 461 Y CA -0.537 57.492 58.100 -0.117 0.000 1.193 461 Y CB 1.066 39.437 38.460 -0.147 0.000 1.176 461 Y HN -0.017 nan 8.280 nan 0.000 0.542 462 S N -0.898 114.771 115.700 -0.051 0.000 2.112 462 S HA 0.260 4.730 4.470 0.001 0.000 0.151 462 S C -2.249 172.318 174.600 -0.054 0.000 1.723 462 S CA -1.200 56.954 58.200 -0.078 0.000 1.263 462 S CB 0.827 63.951 63.200 -0.127 0.000 1.194 462 S HN 0.048 nan 8.310 nan 0.000 0.419 463 P HA 0.001 nan 4.420 nan 0.000 0.221 463 P C 0.392 177.690 177.300 -0.004 0.000 1.150 463 P CA 0.934 64.014 63.100 -0.032 0.000 0.800 463 P CB 0.119 31.804 31.700 -0.025 0.000 0.787 464 N N -0.809 117.898 118.700 0.011 0.000 2.282 464 N HA 0.050 4.790 4.740 0.001 0.000 0.185 464 N C 0.188 175.741 175.510 0.072 0.000 1.099 464 N CA 0.091 53.165 53.050 0.040 0.000 0.878 464 N CB 0.315 38.827 38.487 0.042 0.000 0.993 464 N HN -0.018 nan 8.380 nan 0.000 0.481 465 V N 2.069 122.026 119.914 0.072 0.000 2.485 465 V HA 0.029 4.150 4.120 0.001 0.000 0.287 465 V C 1.358 177.542 176.094 0.150 0.000 1.022 465 V CA 0.384 62.761 62.300 0.128 0.000 1.067 465 V CB 0.925 32.819 31.823 0.118 0.000 0.967 465 V HN 0.063 nan 8.190 nan 0.000 0.479 466 R N 2.973 123.597 120.500 0.206 0.000 2.206 466 R HA 0.144 4.484 4.340 0.001 0.000 0.198 466 R C 0.016 176.511 176.300 0.324 0.000 0.986 466 R CA 0.226 56.460 56.100 0.224 0.000 1.029 466 R CB 0.445 30.867 30.300 0.203 0.000 0.966 466 R HN 0.753 nan 8.270 nan 0.000 0.487 467 W N 0.630 122.022 121.300 0.153 0.000 2.739 467 W HA 0.565 5.226 4.660 0.001 0.000 0.331 467 W C -1.598 175.049 176.519 0.213 0.000 1.049 467 W CA -0.785 56.659 57.345 0.165 0.000 1.234 467 W CB 1.135 30.666 29.460 0.119 0.000 1.404 467 W HN -0.256 nan 8.180 nan 0.000 0.477 468 M N 6.904 126.098 119.600 -0.676 0.000 2.393 468 M HA 0.379 4.860 4.480 0.001 0.000 0.299 468 M C -1.587 174.153 176.300 -0.934 0.000 1.103 468 M CA -1.227 53.642 55.300 -0.718 0.000 0.910 468 M CB 2.030 34.593 32.600 -0.062 0.000 1.659 468 M HN 0.393 nan 8.290 nan 0.000 0.445 469 L N 5.387 126.057 121.223 -0.922 0.000 2.316 469 L HA 0.630 4.970 4.340 0.001 0.000 0.280 469 L C -1.856 174.899 176.870 -0.191 0.000 1.006 469 L CA -0.214 54.394 54.840 -0.387 0.000 0.836 469 L CB 0.959 42.896 42.059 -0.202 0.000 1.221 469 L HN 0.642 nan 8.230 nan 0.000 0.418 470 L N 5.608 126.772 121.223 -0.097 0.000 2.296 470 L HA 0.596 4.936 4.340 0.001 0.000 0.286 470 L C 1.087 177.855 176.870 -0.169 0.000 1.023 470 L CA -0.462 54.328 54.840 -0.082 0.000 0.812 470 L CB 1.565 43.562 42.059 -0.103 0.000 1.223 470 L HN 0.782 nan 8.230 nan 0.000 0.421 471 G N 1.548 110.196 108.800 -0.253 0.000 2.751 471 G HA2 -0.114 3.846 3.960 0.001 0.000 0.187 471 G HA3 -0.114 3.846 3.960 0.001 0.000 0.187 471 G C 0.025 174.529 174.900 -0.660 0.000 1.733 471 G CA 0.361 44.990 45.100 -0.785 0.000 0.898 471 G HN 0.540 nan 8.290 nan 0.000 0.408 472 Y N 0.907 120.916 120.300 -0.486 0.000 2.833 472 Y HA 0.362 4.913 4.550 0.001 0.000 0.339 472 Y C 1.046 176.827 175.900 -0.198 0.000 1.032 472 Y CA -0.994 56.908 58.100 -0.330 0.000 1.450 472 Y CB 0.081 38.372 38.460 -0.282 0.000 1.296 472 Y HN 0.240 nan 8.280 nan 0.000 0.535 473 V N -1.121 118.764 119.914 -0.049 0.000 3.237 473 V HA 0.814 4.934 4.120 0.001 0.000 0.305 473 V C 0.805 176.920 176.094 0.034 0.000 1.096 473 V CA -0.075 62.251 62.300 0.043 0.000 1.130 473 V CB 0.466 32.340 31.823 0.085 0.000 1.048 473 V HN 0.625 nan 8.190 nan 0.000 0.484 474 G N 2.837 111.694 108.800 0.096 0.000 2.829 474 G HA2 -0.148 3.812 3.960 0.001 0.000 0.628 474 G HA3 -0.148 3.812 3.960 0.001 0.000 0.628 474 G C -0.178 174.760 174.900 0.063 0.000 1.412 474 G CA 0.406 45.588 45.100 0.137 0.000 0.864 474 G HN 1.080 nan 8.290 nan 0.000 0.544 475 E N -0.712 119.543 120.200 0.091 0.000 2.444 475 E HA 0.319 4.670 4.350 0.001 0.000 0.209 475 E C 1.057 177.700 176.600 0.073 0.000 0.806 475 E CA 0.571 56.999 56.400 0.047 0.000 1.240 475 E CB 0.928 30.650 29.700 0.036 0.000 1.238 475 E HN 1.055 nan 8.360 nan 0.000 0.591 476 S N 0.012 115.802 115.700 0.149 0.000 2.671 476 S HA 0.199 4.669 4.470 0.001 0.000 0.277 476 S C -0.386 174.383 174.600 0.281 0.000 1.165 476 S CA -0.689 57.617 58.200 0.176 0.000 0.822 476 S CB 1.494 64.751 63.200 0.094 0.000 1.150 476 S HN -0.145 nan 8.310 nan 0.000 0.479 477 D N 1.007 121.550 120.400 0.239 0.000 2.228 477 D HA -0.086 4.554 4.640 0.001 0.000 0.203 477 D C 1.546 177.832 176.300 -0.022 0.000 0.988 477 D CA 1.227 55.290 54.000 0.106 0.000 0.864 477 D CB -0.144 40.702 40.800 0.076 0.000 0.928 477 D HN 0.582 nan 8.370 nan 0.000 0.469 478 E N 0.388 120.602 120.200 0.023 0.000 2.114 478 E HA -0.188 4.163 4.350 0.001 0.000 0.199 478 E C 2.311 178.899 176.600 -0.021 0.000 1.008 478 E CA 1.416 57.815 56.400 -0.002 0.000 0.810 478 E CB -0.475 29.233 29.700 0.013 0.000 0.739 478 E HN 0.480 nan 8.360 nan 0.000 0.456 479 G N 1.301 110.104 108.800 0.004 0.000 2.402 479 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 479 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 479 G C 1.612 176.457 174.900 -0.091 0.000 1.162 479 G CA 0.661 45.760 45.100 -0.002 0.000 0.777 479 G HN 0.206 nan 8.290 nan 0.000 0.539 480 L N 0.382 121.390 121.223 -0.359 0.000 2.046 480 L HA 0.065 4.406 4.340 0.001 0.000 0.208 480 L C 2.656 179.432 176.870 -0.157 0.000 1.077 480 L CA 1.976 56.492 54.840 -0.540 0.000 0.747 480 L CB -0.367 40.929 42.059 -1.271 0.000 0.896 480 L HN 0.262 nan 8.230 nan 0.000 0.432 481 M N -1.222 118.293 119.600 -0.142 0.000 2.117 481 M HA -0.182 4.298 4.480 0.001 0.000 0.262 481 M C 2.063 178.344 176.300 -0.032 0.000 1.065 481 M CA 1.678 56.935 55.300 -0.070 0.000 1.114 481 M CB -0.276 32.286 32.600 -0.064 0.000 1.361 481 M HN 0.287 nan 8.290 nan 0.000 0.408 482 E N 0.083 120.273 120.200 -0.017 0.000 2.085 482 E HA -0.219 4.131 4.350 0.001 0.000 0.194 482 E C 1.722 178.335 176.600 0.022 0.000 0.994 482 E CA 1.339 57.735 56.400 -0.006 0.000 0.801 482 E CB -0.777 28.919 29.700 -0.007 0.000 0.743 482 E HN 0.595 nan 8.360 nan 0.000 0.453 483 F N 2.218 122.111 119.950 -0.096 0.000 2.091 483 F HA -0.266 4.261 4.527 0.001 0.000 0.299 483 F C 2.539 178.292 175.800 -0.080 0.000 1.103 483 F CA 2.170 60.122 58.000 -0.080 0.000 1.228 483 F CB -0.561 38.384 39.000 -0.091 0.000 0.984 483 F HN 0.029 nan 8.300 nan 0.000 0.477 484 S N 1.173 116.820 115.700 -0.090 0.000 2.469 484 S HA -0.233 4.237 4.470 0.001 0.000 0.238 484 S C 1.868 176.343 174.600 -0.209 0.000 0.998 484 S CA 0.907 58.993 58.200 -0.190 0.000 0.957 484 S CB -0.969 62.197 63.200 -0.058 0.000 0.764 484 S HN 0.722 nan 8.310 nan 0.000 0.514 485 R N 0.660 121.057 120.500 -0.171 0.000 2.313 485 R HA 0.361 4.702 4.340 0.001 0.000 0.199 485 R C 1.235 177.427 176.300 -0.180 0.000 0.958 485 R CA 0.477 56.489 56.100 -0.145 0.000 1.047 485 R CB -0.401 29.838 30.300 -0.101 0.000 0.955 485 R HN 0.386 nan 8.270 nan 0.000 0.481 486 G N 0.344 108.984 108.800 -0.267 0.000 3.019 486 G HA2 0.271 4.232 3.960 0.001 0.000 0.152 486 G HA3 0.271 4.232 3.960 0.001 0.000 0.152 486 G C -0.541 174.177 174.900 -0.304 0.000 1.320 486 G CA -0.178 44.758 45.100 -0.272 0.000 1.013 486 G HN 0.331 nan 8.290 nan 0.000 0.593 487 C N 0.584 119.704 119.300 -0.300 0.000 3.442 487 C HA -0.090 4.371 4.460 0.001 0.000 0.288 487 C C -0.831 174.074 174.990 -0.141 0.000 1.238 487 C CA -0.323 58.549 59.018 -0.243 0.000 2.320 487 C CB -2.083 25.425 27.740 -0.388 0.000 1.459 487 C HN 0.547 nan 8.230 nan 0.000 0.544 488 P HA -0.121 nan 4.420 nan 0.000 0.215 488 P C 0.830 178.117 177.300 -0.022 0.000 1.153 488 P CA 1.750 64.814 63.100 -0.060 0.000 0.853 488 P CB 0.043 31.713 31.700 -0.050 0.000 0.788 489 N N -1.568 117.131 118.700 -0.002 0.000 2.234 489 N HA 0.137 4.877 4.740 0.001 0.000 0.227 489 N C -0.173 175.382 175.510 0.074 0.000 1.151 489 N CA -0.337 52.736 53.050 0.040 0.000 0.865 489 N CB 0.264 38.779 38.487 0.046 0.000 1.066 489 N HN 0.044 nan 8.380 nan 0.000 0.515 490 L N 1.749 123.008 121.223 0.060 0.000 2.477 490 L HA -0.005 4.336 4.340 0.001 0.000 0.272 490 L C 0.822 177.786 176.870 0.157 0.000 1.157 490 L CA 0.856 55.763 54.840 0.110 0.000 0.889 490 L CB 0.908 43.013 42.059 0.077 0.000 1.158 490 L HN 0.333 nan 8.230 nan 0.000 0.473 491 Q N 3.119 123.046 119.800 0.212 0.000 2.481 491 Q HA 0.101 4.442 4.340 0.001 0.000 0.219 491 Q C 0.022 176.219 176.000 0.329 0.000 0.920 491 Q CA 0.377 56.331 55.803 0.252 0.000 0.915 491 Q CB 0.853 29.730 28.738 0.231 0.000 1.057 491 Q HN 0.479 nan 8.270 nan 0.000 0.581 492 K N 0.959 121.574 120.400 0.359 0.000 2.292 492 K HA 0.428 4.749 4.320 0.001 0.000 0.257 492 K C -1.876 174.965 176.600 0.403 0.000 0.940 492 K CA -0.544 56.017 56.287 0.457 0.000 0.811 492 K CB 1.363 34.144 32.500 0.468 0.000 1.120 492 K HN -0.083 nan 8.250 nan 0.000 0.428 493 L N 3.583 125.053 121.223 0.412 0.000 2.376 493 L HA 0.423 4.763 4.340 0.001 0.000 0.275 493 L C -1.554 175.513 176.870 0.329 0.000 0.987 493 L CA 0.006 55.013 54.840 0.278 0.000 0.828 493 L CB 1.780 43.994 42.059 0.257 0.000 1.249 493 L HN 0.688 nan 8.230 nan 0.000 0.409 494 E N 6.476 126.830 120.200 0.257 0.000 2.155 494 E HA 0.606 4.957 4.350 0.001 0.000 0.264 494 E C -1.298 175.420 176.600 0.197 0.000 0.886 494 E CA -0.403 56.237 56.400 0.399 0.000 0.752 494 E CB 1.804 31.804 29.700 0.499 0.000 1.133 494 E HN 0.584 nan 8.360 nan 0.000 0.414 495 M N 3.143 122.809 119.600 0.111 0.000 2.327 495 M HA 0.492 4.973 4.480 0.001 0.000 0.298 495 M C -0.520 175.715 176.300 -0.109 0.000 1.065 495 M CA -0.808 54.477 55.300 -0.025 0.000 0.916 495 M CB 2.522 35.092 32.600 -0.050 0.000 1.630 495 M HN 0.364 nan 8.290 nan 0.000 0.442 496 R N 1.051 121.467 120.500 -0.139 0.000 2.795 496 R HA 0.804 5.144 4.340 0.001 0.000 0.275 496 R C 0.090 176.099 176.300 -0.484 0.000 0.981 496 R CA -0.055 55.925 56.100 -0.201 0.000 0.917 496 R CB 1.989 32.300 30.300 0.018 0.000 1.202 496 R HN 0.925 nan 8.270 nan 0.000 0.469 497 G N 1.135 109.638 108.800 -0.495 0.000 2.314 497 G HA2 -0.246 3.715 3.960 0.001 0.000 0.292 497 G HA3 -0.246 3.715 3.960 0.001 0.000 0.292 497 G C -0.377 173.970 174.900 -0.923 0.000 1.059 497 G CA 0.272 44.842 45.100 -0.883 0.000 0.982 497 G HN 0.618 nan 8.290 nan 0.000 0.505 498 C N -1.104 117.870 119.300 -0.544 0.000 2.595 498 C HA 0.647 5.108 4.460 0.001 0.000 0.338 498 C C 1.940 176.613 174.990 -0.529 0.000 1.219 498 C CA -0.089 58.556 59.018 -0.623 0.000 1.811 498 C CB 1.377 28.698 27.740 -0.699 0.000 2.313 498 C HN 1.077 nan 8.230 nan 0.000 0.499 499 C N -1.000 117.859 119.300 -0.735 0.000 2.693 499 C HA 0.446 4.906 4.460 0.001 0.000 0.286 499 C C 0.328 175.167 174.990 -0.252 0.000 1.277 499 C CA -0.653 58.128 59.018 -0.395 0.000 1.705 499 C CB -2.524 25.052 27.740 -0.274 0.000 1.879 499 C HN 0.643 nan 8.230 nan 0.000 0.607 500 F N 2.613 122.559 119.950 -0.006 0.000 2.380 500 F HA 0.466 4.994 4.527 0.001 0.000 0.325 500 F C 1.202 177.032 175.800 0.050 0.000 1.136 500 F CA -0.402 57.602 58.000 0.007 0.000 1.171 500 F CB 0.784 39.775 39.000 -0.016 0.000 1.230 500 F HN 0.193 nan 8.300 nan 0.000 0.554 501 S N -0.189 115.665 115.700 0.257 0.000 2.687 501 S HA 0.274 4.745 4.470 0.001 0.000 0.283 501 S C 0.608 175.312 174.600 0.173 0.000 1.170 501 S CA -0.843 57.465 58.200 0.180 0.000 1.008 501 S CB 1.581 64.851 63.200 0.117 0.000 1.026 501 S HN 0.730 nan 8.310 nan 0.000 0.541 502 E N 1.188 121.500 120.200 0.186 0.000 2.033 502 E HA -0.240 4.110 4.350 0.001 0.000 0.199 502 E C 2.266 178.904 176.600 0.063 0.000 1.011 502 E CA 1.509 57.990 56.400 0.134 0.000 0.815 502 E CB -0.259 29.530 29.700 0.150 0.000 0.755 502 E HN 0.704 nan 8.360 nan 0.000 0.451 503 R N 1.369 121.903 120.500 0.056 0.000 2.193 503 R HA -0.046 4.294 4.340 0.001 0.000 0.229 503 R C 1.888 178.195 176.300 0.013 0.000 1.110 503 R CA 1.435 57.552 56.100 0.028 0.000 0.988 503 R CB -0.343 29.972 30.300 0.025 0.000 0.871 503 R HN 0.146 nan 8.270 nan 0.000 0.458 504 A N 2.069 124.904 122.820 0.025 0.000 1.897 504 A HA 0.034 4.354 4.320 0.001 0.000 0.215 504 A C 2.394 179.953 177.584 -0.042 0.000 1.181 504 A CA 0.992 53.025 52.037 -0.007 0.000 0.620 504 A CB -0.225 18.789 19.000 0.023 0.000 0.821 504 A HN 0.229 nan 8.150 nan 0.000 0.443 505 I N 0.114 120.676 120.570 -0.013 0.000 2.113 505 I HA -0.273 3.898 4.170 0.001 0.000 0.238 505 I C 3.014 179.112 176.117 -0.031 0.000 1.070 505 I CA 1.601 62.883 61.300 -0.031 0.000 1.332 505 I CB -1.470 36.506 38.000 -0.040 0.000 1.044 505 I HN 0.364 nan 8.210 nan 0.000 0.402 506 A N 1.060 123.867 122.820 -0.021 0.000 1.948 506 A HA -0.188 4.132 4.320 0.001 0.000 0.220 506 A C 2.583 180.138 177.584 -0.048 0.000 1.177 506 A CA 2.290 54.313 52.037 -0.024 0.000 0.636 506 A CB -0.807 18.188 19.000 -0.009 0.000 0.815 506 A HN 0.481 nan 8.150 nan 0.000 0.449 507 A N -0.228 122.567 122.820 -0.042 0.000 1.877 507 A HA 0.156 4.476 4.320 0.001 0.000 0.216 507 A C 2.521 180.067 177.584 -0.062 0.000 1.186 507 A CA 2.171 54.177 52.037 -0.051 0.000 0.620 507 A CB -1.081 17.894 19.000 -0.043 0.000 0.822 507 A HN 1.146 nan 8.150 nan 0.000 0.443 508 A N -0.785 122.000 122.820 -0.059 0.000 1.972 508 A HA 0.053 4.374 4.320 0.001 0.000 0.219 508 A C 2.193 179.750 177.584 -0.046 0.000 1.169 508 A CA 1.628 53.636 52.037 -0.047 0.000 0.635 508 A CB -0.759 18.221 19.000 -0.034 0.000 0.810 508 A HN 0.359 nan 8.150 nan 0.000 0.446 509 V N -0.248 119.630 119.914 -0.061 0.000 2.358 509 V HA -0.209 3.911 4.120 0.001 0.000 0.246 509 V C 2.753 178.743 176.094 -0.174 0.000 1.047 509 V CA 2.457 64.692 62.300 -0.107 0.000 1.035 509 V CB -1.051 30.693 31.823 -0.133 0.000 0.658 509 V HN 0.627 nan 8.190 nan 0.000 0.452 510 T N -0.699 113.761 114.554 -0.157 0.000 2.746 510 T HA -0.235 4.116 4.350 0.001 0.000 0.267 510 T C 1.958 176.593 174.700 -0.108 0.000 1.039 510 T CA 1.524 63.535 62.100 -0.149 0.000 1.142 510 T CB -0.197 68.604 68.868 -0.112 0.000 0.866 510 T HN 0.365 nan 8.240 nan 0.000 0.444 511 K N 0.247 120.593 120.400 -0.089 0.000 2.211 511 K HA 0.095 4.416 4.320 0.001 0.000 0.203 511 K C 0.291 176.841 176.600 -0.084 0.000 1.050 511 K CA 0.434 56.673 56.287 -0.080 0.000 0.945 511 K CB -0.250 32.203 32.500 -0.079 0.000 0.732 511 K HN 0.304 nan 8.250 nan 0.000 0.451 512 L N 2.522 123.695 121.223 -0.083 0.000 2.369 512 L HA 0.061 4.401 4.340 0.001 0.000 0.279 512 L C -1.380 175.466 176.870 -0.041 0.000 1.108 512 L CA -1.294 53.505 54.840 -0.070 0.000 0.852 512 L CB 0.674 42.706 42.059 -0.044 0.000 1.169 512 L HN 0.074 nan 8.230 nan 0.000 0.452 513 P HA -0.093 nan 4.420 nan 0.000 0.216 513 P C 1.083 178.404 177.300 0.035 0.000 1.153 513 P CA 0.981 64.077 63.100 -0.007 0.000 0.844 513 P CB 0.448 32.137 31.700 -0.018 0.000 0.787 514 S N -0.993 114.738 115.700 0.051 0.000 2.511 514 S HA 0.120 4.590 4.470 0.001 0.000 0.214 514 S C 0.794 175.496 174.600 0.170 0.000 0.997 514 S CA -0.480 57.779 58.200 0.100 0.000 0.908 514 S CB -0.510 62.741 63.200 0.085 0.000 0.803 514 S HN 0.002 nan 8.310 nan 0.000 0.504 515 L N 3.589 124.908 121.223 0.160 0.000 2.513 515 L HA 0.111 4.452 4.340 0.001 0.000 0.272 515 L C 0.956 178.045 176.870 0.365 0.000 1.187 515 L CA 0.627 55.606 54.840 0.232 0.000 0.895 515 L CB 0.469 42.625 42.059 0.161 0.000 1.147 515 L HN 0.196 nan 8.230 nan 0.000 0.483 516 R N 3.102 123.890 120.500 0.480 0.000 2.531 516 R HA 0.236 4.577 4.340 0.001 0.000 0.316 516 R C -0.821 175.877 176.300 0.664 0.000 0.955 516 R CA -0.479 56.021 56.100 0.666 0.000 1.120 516 R CB 0.120 30.783 30.300 0.604 0.000 1.361 516 R HN 0.497 nan 8.270 nan 0.000 0.534 517 Y N 0.704 121.262 120.300 0.431 0.000 2.399 517 Y HA 0.521 5.072 4.550 0.001 0.000 0.327 517 Y C -2.161 173.943 175.900 0.340 0.000 1.111 517 Y CA -1.451 56.855 58.100 0.344 0.000 1.047 517 Y CB 2.137 40.775 38.460 0.297 0.000 1.259 517 Y HN 0.053 nan 8.280 nan 0.000 0.434 518 L N 7.546 128.836 121.223 0.111 0.000 2.438 518 L HA 0.581 4.921 4.340 0.001 0.000 0.270 518 L C -2.124 174.791 176.870 0.075 0.000 0.972 518 L CA -0.503 54.452 54.840 0.191 0.000 0.831 518 L CB 1.387 43.576 42.059 0.217 0.000 1.273 518 L HN 0.710 nan 8.230 nan 0.000 0.405 519 W N 7.452 128.765 121.300 0.022 0.000 2.785 519 W HA 0.806 5.467 4.660 0.001 0.000 0.333 519 W C -2.321 174.191 176.519 -0.012 0.000 1.062 519 W CA -0.849 56.481 57.345 -0.024 0.000 1.233 519 W CB 1.786 31.273 29.460 0.046 0.000 1.413 519 W HN 0.377 nan 8.180 nan 0.000 0.489 520 V N 5.113 124.391 119.914 -1.059 0.000 2.733 520 V HA 0.299 4.420 4.120 0.001 0.000 0.306 520 V C -0.778 174.654 176.094 -1.103 0.000 1.084 520 V CA -0.661 61.086 62.300 -0.922 0.000 0.905 520 V CB 1.925 33.453 31.823 -0.491 0.000 1.010 520 V HN 0.613 nan 8.190 nan 0.000 0.424 521 Q N 2.308 121.651 119.800 -0.762 0.000 2.321 521 Q HA 0.635 4.975 4.340 0.001 0.000 0.270 521 Q C -0.103 175.851 176.000 -0.077 0.000 1.032 521 Q CA 0.114 55.711 55.803 -0.344 0.000 0.784 521 Q CB 1.992 30.562 28.738 -0.280 0.000 1.264 521 Q HN 1.389 nan 8.270 nan 0.000 0.448 522 G N 3.333 112.201 108.800 0.114 0.000 3.439 522 G HA2 -0.135 3.825 3.960 0.001 0.000 0.684 522 G HA3 -0.135 3.825 3.960 0.001 0.000 0.684 522 G C -1.465 173.511 174.900 0.128 0.000 1.005 522 G CA -0.093 45.030 45.100 0.038 0.000 0.837 522 G HN 0.901 nan 8.290 nan 0.000 0.470 523 Y N -1.278 118.962 120.300 -0.099 0.000 2.583 523 Y HA 0.692 5.243 4.550 0.001 0.000 0.330 523 Y C -0.231 175.644 175.900 -0.042 0.000 1.185 523 Y CA -1.956 56.099 58.100 -0.076 0.000 1.107 523 Y CB 0.686 39.115 38.460 -0.051 0.000 1.344 523 Y HN 0.613 nan 8.280 nan 0.000 0.463 524 R N 2.384 122.884 120.500 0.001 0.000 2.457 524 R HA 0.521 4.861 4.340 0.001 0.000 0.335 524 R C 0.451 176.728 176.300 -0.038 0.000 1.003 524 R CA 0.543 56.611 56.100 -0.053 0.000 1.003 524 R CB 0.346 30.655 30.300 0.014 0.000 0.950 524 R HN 0.843 nan 8.270 nan 0.000 0.428 525 A N 2.802 125.502 122.820 -0.200 0.000 2.645 525 A HA 0.512 4.832 4.320 0.001 0.000 0.245 525 A C -0.001 177.579 177.584 -0.006 0.000 1.758 525 A CA 0.016 51.984 52.037 -0.115 0.000 0.850 525 A CB 0.482 19.334 19.000 -0.246 0.000 1.656 525 A HN 0.720 nan 8.150 nan 0.000 0.641 526 S N -3.572 112.132 115.700 0.006 0.000 2.596 526 S HA 0.269 4.740 4.470 0.001 0.000 0.305 526 S C 0.034 174.642 174.600 0.013 0.000 1.086 526 S CA 0.155 58.362 58.200 0.011 0.000 0.909 526 S CB 0.265 63.481 63.200 0.027 0.000 1.106 526 S HN 0.799 nan 8.310 nan 0.000 0.450 527 M N 3.146 122.747 119.600 0.003 0.000 2.143 527 M HA -0.081 4.399 4.480 0.001 0.000 0.258 527 M C 2.028 178.336 176.300 0.014 0.000 1.071 527 M CA 2.838 58.141 55.300 0.005 0.000 1.088 527 M CB -1.521 31.079 32.600 -0.000 0.000 1.360 527 M HN 0.968 nan 8.290 nan 0.000 0.404 528 T N -0.599 113.964 114.554 0.015 0.000 2.564 528 T HA -0.174 4.177 4.350 0.001 0.000 0.264 528 T C 1.747 176.463 174.700 0.026 0.000 1.100 528 T CA 2.315 64.426 62.100 0.019 0.000 1.171 528 T CB -1.366 67.514 68.868 0.020 0.000 0.863 528 T HN 0.734 nan 8.240 nan 0.000 0.430 529 G N -0.027 108.795 108.800 0.037 0.000 2.241 529 G HA2 -0.279 3.682 3.960 0.001 0.000 0.244 529 G HA3 -0.279 3.682 3.960 0.001 0.000 0.244 529 G C 0.842 175.771 174.900 0.048 0.000 0.998 529 G CA 0.457 45.587 45.100 0.050 0.000 0.621 529 G HN 0.470 nan 8.290 nan 0.000 0.519 530 Q N 0.506 120.327 119.800 0.036 0.000 2.482 530 Q HA 0.091 4.432 4.340 0.001 0.000 0.209 530 Q C 1.601 177.620 176.000 0.031 0.000 0.961 530 Q CA 1.460 57.281 55.803 0.030 0.000 0.945 530 Q CB -0.051 28.700 28.738 0.022 0.000 1.012 530 Q HN 0.735 nan 8.270 nan 0.000 0.515 531 D N -0.131 120.294 120.400 0.040 0.000 2.183 531 D HA -0.030 4.611 4.640 0.001 0.000 0.205 531 D C 1.789 178.111 176.300 0.036 0.000 0.962 531 D CA 0.271 54.294 54.000 0.038 0.000 0.849 531 D CB 0.065 40.894 40.800 0.048 0.000 0.978 531 D HN 0.103 nan 8.370 nan 0.000 0.488 532 L N 0.289 121.537 121.223 0.043 0.000 2.043 532 L HA -0.215 4.126 4.340 0.001 0.000 0.212 532 L C 2.078 178.971 176.870 0.037 0.000 1.075 532 L CA 0.740 55.600 54.840 0.033 0.000 0.752 532 L CB -0.300 41.776 42.059 0.029 0.000 0.891 532 L HN 0.164 nan 8.230 nan 0.000 0.432 533 M N -0.267 119.355 119.600 0.036 0.000 2.252 533 M HA -0.280 4.200 4.480 0.001 0.000 0.257 533 M C 2.082 178.399 176.300 0.028 0.000 1.077 533 M CA 1.615 56.936 55.300 0.035 0.000 1.066 533 M CB -1.106 31.510 32.600 0.027 0.000 1.380 533 M HN 0.482 nan 8.290 nan 0.000 0.412 534 Q N 0.166 119.976 119.800 0.017 0.000 2.491 534 Q HA -0.070 4.271 4.340 0.001 0.000 0.214 534 Q C 1.170 177.161 176.000 -0.016 0.000 0.970 534 Q CA 0.581 56.385 55.803 0.001 0.000 0.960 534 Q CB -0.492 28.245 28.738 -0.002 0.000 0.996 534 Q HN 0.751 nan 8.270 nan 0.000 0.524 535 M N -2.706 116.891 119.600 -0.006 0.000 2.313 535 M HA 0.508 4.989 4.480 0.001 0.000 0.273 535 M C 0.336 176.614 176.300 -0.037 0.000 1.049 535 M CA -0.353 54.910 55.300 -0.061 0.000 1.004 535 M CB 0.668 33.224 32.600 -0.074 0.000 1.461 535 M HN 0.045 nan 8.290 nan 0.000 0.514 536 A N 2.608 125.457 122.820 0.047 0.000 2.515 536 A HA 0.244 4.565 4.320 0.001 0.000 0.276 536 A C -0.132 177.483 177.584 0.052 0.000 1.104 536 A CA 0.292 52.382 52.037 0.089 0.000 0.822 536 A CB -0.393 18.642 19.000 0.060 0.000 1.016 536 A HN 0.704 nan 8.150 nan 0.000 0.530 537 R N 2.549 123.103 120.500 0.090 0.000 2.856 537 R HA 0.613 4.954 4.340 0.001 0.000 0.258 537 R C -2.786 173.631 176.300 0.194 0.000 1.066 537 R CA -1.916 54.252 56.100 0.114 0.000 1.045 537 R CB 0.327 30.693 30.300 0.111 0.000 1.178 537 R HN 0.378 nan 8.270 nan 0.000 0.499 538 P HA 0.135 nan 4.420 nan 0.000 0.275 538 P C -0.992 176.487 177.300 0.297 0.000 1.227 538 P CA -0.064 63.088 63.100 0.086 0.000 0.781 538 P CB 0.216 31.929 31.700 0.022 0.000 0.906 539 Y N -2.284 118.171 120.300 0.259 0.000 4.936 539 Y HA -0.199 4.351 4.550 0.001 0.000 0.260 539 Y C 0.091 176.267 175.900 0.460 0.000 0.928 539 Y CA 0.532 58.835 58.100 0.339 0.000 1.869 539 Y CB -1.807 36.856 38.460 0.338 0.000 1.344 539 Y HN 0.502 nan 8.280 nan 0.000 0.521 540 W N 3.805 125.223 121.300 0.198 0.000 2.311 540 W HA 0.425 5.086 4.660 0.001 0.000 0.317 540 W C -0.548 175.878 176.519 -0.156 0.000 1.065 540 W CA -0.600 56.701 57.345 -0.072 0.000 1.364 540 W CB 0.571 29.939 29.460 -0.154 0.000 1.233 540 W HN -0.080 nan 8.180 nan 0.000 0.409 541 N N 5.641 123.951 118.700 -0.650 0.000 2.434 541 N HA 0.254 4.994 4.740 0.001 0.000 0.272 541 N C -0.524 174.426 175.510 -0.933 0.000 1.040 541 N CA -0.232 52.385 53.050 -0.722 0.000 0.956 541 N CB 1.422 39.355 38.487 -0.923 0.000 1.108 541 N HN 0.423 nan 8.380 nan 0.000 0.481 542 I N -1.391 118.873 120.570 -0.509 0.000 2.474 542 I HA 0.582 4.753 4.170 0.001 0.000 0.294 542 I C -0.499 175.512 176.117 -0.177 0.000 1.005 542 I CA -0.380 60.701 61.300 -0.365 0.000 1.113 542 I CB 1.707 39.595 38.000 -0.187 0.000 1.289 542 I HN 0.330 nan 8.210 nan 0.000 0.436 543 E N 5.910 126.057 120.200 -0.087 0.000 2.288 543 E HA 0.668 5.019 4.350 0.001 0.000 0.268 543 E C -1.517 175.124 176.600 0.068 0.000 0.885 543 E CA -0.849 55.569 56.400 0.031 0.000 0.767 543 E CB 2.533 32.324 29.700 0.150 0.000 1.220 543 E HN 0.609 nan 8.360 nan 0.000 0.427 544 L N 3.665 124.937 121.223 0.083 0.000 2.346 544 L HA 0.631 4.972 4.340 0.001 0.000 0.276 544 L C -0.557 176.383 176.870 0.116 0.000 1.006 544 L CA -0.624 54.272 54.840 0.094 0.000 0.817 544 L CB 1.175 43.278 42.059 0.072 0.000 1.272 544 L HN 0.391 nan 8.230 nan 0.000 0.421 545 I N 2.205 122.839 120.570 0.107 0.000 2.934 545 I HA 0.469 4.639 4.170 0.001 0.000 0.306 545 I C -2.198 173.842 176.117 -0.128 0.000 1.110 545 I CA -1.706 59.630 61.300 0.059 0.000 1.019 545 I CB 2.594 40.696 38.000 0.170 0.000 1.227 545 I HN 0.371 nan 8.210 nan 0.000 0.434 546 P HA 0.237 nan 4.420 nan 0.000 0.250 546 P C -0.759 176.413 177.300 -0.214 0.000 1.202 546 P CA -0.168 62.854 63.100 -0.129 0.000 0.722 546 P CB 0.475 32.172 31.700 -0.004 0.000 1.432 547 S N -2.223 113.464 115.700 -0.022 0.000 2.714 547 S HA 0.468 4.939 4.470 0.001 0.000 0.297 547 S C -1.501 173.153 174.600 0.090 0.000 0.993 547 S CA -0.727 57.492 58.200 0.032 0.000 0.844 547 S CB 0.161 63.366 63.200 0.009 0.000 1.043 547 S HN 0.081 nan 8.310 nan 0.000 0.457 548 R N 1.252 121.784 120.500 0.053 0.000 3.142 548 R HA 0.627 4.967 4.340 0.001 0.000 0.260 548 R C -0.618 175.701 176.300 0.031 0.000 1.129 548 R CA -0.742 55.397 56.100 0.065 0.000 0.976 548 R CB 0.590 30.931 30.300 0.067 0.000 1.396 548 R HN 0.920 nan 8.270 nan 0.000 0.434 564 H N 3.152 122.253 119.070 0.051 0.000 2.887 564 H HA 0.323 4.880 4.556 0.001 0.000 0.300 564 H C -2.190 173.171 175.328 0.055 0.000 1.038 564 H CA -1.936 54.162 56.048 0.084 0.000 1.352 564 H CB 1.325 31.152 29.762 0.109 0.000 1.473 564 H HN 0.390 nan 8.280 nan 0.000 0.503 565 P HA -0.020 nan 4.420 nan 0.000 0.270 565 P C 0.029 177.388 177.300 0.100 0.000 1.221 565 P CA -0.357 62.795 63.100 0.087 0.000 0.788 565 P CB 0.689 32.427 31.700 0.063 0.000 0.904 566 A N 1.507 124.359 122.820 0.053 0.000 2.531 566 A HA 0.080 4.401 4.320 0.001 0.000 0.236 566 A C 0.174 177.908 177.584 0.251 0.000 1.062 566 A CA 0.178 52.271 52.037 0.093 0.000 0.760 566 A CB -0.743 18.331 19.000 0.124 0.000 0.995 566 A HN 0.643 nan 8.150 nan 0.000 0.501 567 H N 0.187 119.283 119.070 0.042 0.000 2.502 567 H HA 0.574 5.131 4.556 0.001 0.000 0.338 567 H C -0.738 174.511 175.328 -0.131 0.000 1.155 567 H CA -0.796 55.146 56.048 -0.178 0.000 1.237 567 H CB 1.529 31.207 29.762 -0.141 0.000 1.534 567 H HN 0.544 nan 8.280 nan 0.000 0.523 568 I N 2.922 123.377 120.570 -0.193 0.000 2.404 568 I HA 0.163 4.333 4.170 0.001 0.000 0.293 568 I C -1.123 174.935 176.117 -0.098 0.000 0.992 568 I CA -0.689 60.511 61.300 -0.167 0.000 1.149 568 I CB 1.749 39.548 38.000 -0.335 0.000 1.315 568 I HN 0.203 nan 8.210 nan 0.000 0.446 569 L N 7.008 128.241 121.223 0.018 0.000 2.406 569 L HA 0.884 5.224 4.340 0.001 0.000 0.272 569 L C -0.880 175.934 176.870 -0.094 0.000 0.980 569 L CA -0.071 54.795 54.840 0.043 0.000 0.831 569 L CB 1.500 43.691 42.059 0.219 0.000 1.253 569 L HN 0.692 nan 8.230 nan 0.000 0.406 570 A N 4.299 126.964 122.820 -0.259 0.000 2.475 570 A HA 0.898 5.218 4.320 0.001 0.000 0.301 570 A C -1.870 175.230 177.584 -0.807 0.000 1.059 570 A CA -0.392 51.240 52.037 -0.675 0.000 0.710 570 A CB 1.316 19.855 19.000 -0.767 0.000 1.288 570 A HN 0.905 nan 8.150 nan 0.000 0.408 571 Y N -1.776 117.860 120.300 -1.105 0.000 2.624 571 Y HA 0.672 5.223 4.550 0.001 0.000 0.334 571 Y C -1.286 174.344 175.900 -0.450 0.000 1.155 571 Y CA -1.507 56.228 58.100 -0.607 0.000 1.046 571 Y CB 0.645 39.041 38.460 -0.106 0.000 1.316 571 Y HN 0.592 nan 8.280 nan 0.000 0.457 572 Y N 1.431 121.887 120.300 0.259 0.000 2.309 572 Y HA 0.482 5.032 4.550 0.001 0.000 0.327 572 Y C 0.573 176.705 175.900 0.387 0.000 1.172 572 Y CA 0.370 58.694 58.100 0.374 0.000 1.280 572 Y CB 1.551 40.285 38.460 0.455 0.000 1.234 572 Y HN 0.717 nan 8.280 nan 0.000 0.512 573 S N 3.706 119.732 115.700 0.543 0.000 2.572 573 S HA 0.316 4.787 4.470 0.001 0.000 0.274 573 S C -0.158 174.714 174.600 0.453 0.000 1.150 573 S CA -0.774 57.711 58.200 0.474 0.000 0.944 573 S CB 0.636 64.126 63.200 0.483 0.000 1.071 573 S HN 0.765 nan 8.310 nan 0.000 0.479 574 L N 3.421 124.857 121.223 0.355 0.000 2.610 574 L HA 0.196 4.536 4.340 0.001 0.000 0.232 574 L C 2.009 179.068 176.870 0.314 0.000 1.149 574 L CA 0.832 55.871 54.840 0.332 0.000 0.872 574 L CB -0.426 41.740 42.059 0.178 0.000 0.992 574 L HN 0.782 nan 8.230 nan 0.000 0.447 575 A N -0.668 122.326 122.820 0.290 0.000 2.167 575 A HA 0.543 4.864 4.320 0.001 0.000 0.208 575 A C 1.186 178.874 177.584 0.174 0.000 1.198 575 A CA 0.569 52.737 52.037 0.219 0.000 0.863 575 A CB 0.261 19.404 19.000 0.238 0.000 0.904 575 A HN 0.397 nan 8.150 nan 0.000 0.484 576 G N -0.777 108.130 108.800 0.178 0.000 2.610 576 G HA2 -0.086 3.874 3.960 0.001 0.000 0.304 576 G HA3 -0.086 3.874 3.960 0.001 0.000 0.304 576 G C -0.660 174.294 174.900 0.091 0.000 1.309 576 G CA -0.422 44.737 45.100 0.099 0.000 0.906 576 G HN 0.517 nan 8.290 nan 0.000 0.521 577 Q N 0.381 120.201 119.800 0.034 0.000 2.332 577 Q HA 0.440 4.780 4.340 0.001 0.000 0.263 577 Q C 0.869 176.881 176.000 0.020 0.000 0.979 577 Q CA -0.097 55.710 55.803 0.008 0.000 0.885 577 Q CB 0.516 29.236 28.738 -0.029 0.000 1.218 577 Q HN 0.558 nan 8.270 nan 0.000 0.405 578 R N 1.394 121.889 120.500 -0.009 0.000 2.623 578 R HA 0.031 4.372 4.340 0.001 0.000 0.271 578 R C 0.790 177.066 176.300 -0.041 0.000 1.043 578 R CA 0.073 56.154 56.100 -0.032 0.000 1.083 578 R CB -0.003 30.119 30.300 -0.297 0.000 0.974 578 R HN 0.581 nan 8.270 nan 0.000 0.436 579 T N 0.876 115.431 114.554 0.003 0.000 2.821 579 T HA -0.124 4.227 4.350 0.001 0.000 0.267 579 T C 0.772 175.453 174.700 -0.033 0.000 1.046 579 T CA 1.625 63.718 62.100 -0.013 0.000 1.139 579 T CB -0.216 68.652 68.868 -0.001 0.000 0.871 579 T HN 0.778 nan 8.240 nan 0.000 0.454 580 D N 0.435 120.823 120.400 -0.021 0.000 2.413 580 D HA 0.082 4.723 4.640 0.001 0.000 0.237 580 D C -0.131 176.146 176.300 -0.039 0.000 1.171 580 D CA -0.443 53.550 54.000 -0.010 0.000 0.839 580 D CB -1.483 39.374 40.800 0.095 0.000 0.950 580 D HN 0.216 nan 8.370 nan 0.000 0.499 581 C N 1.706 120.944 119.300 -0.103 0.000 2.642 581 C HA 0.221 4.681 4.460 0.001 0.000 0.420 581 C C -1.409 173.555 174.990 -0.043 0.000 1.349 581 C CA -0.877 58.066 59.018 -0.124 0.000 1.821 581 C CB -0.082 27.591 27.740 -0.110 0.000 2.637 581 C HN 0.380 nan 8.230 nan 0.000 0.605 582 P HA 0.176 nan 4.420 nan 0.000 0.282 582 P C 0.845 178.159 177.300 0.023 0.000 1.286 582 P CA -0.032 63.086 63.100 0.031 0.000 0.777 582 P CB 0.295 32.035 31.700 0.066 0.000 1.184 583 T N -1.047 113.527 114.554 0.033 0.000 2.896 583 T HA -0.080 4.271 4.350 0.001 0.000 0.263 583 T C 1.477 176.199 174.700 0.037 0.000 1.050 583 T CA 1.852 63.968 62.100 0.028 0.000 1.140 583 T CB -1.019 67.865 68.868 0.026 0.000 0.877 583 T HN 0.622 nan 8.240 nan 0.000 0.457 584 T N 0.111 114.696 114.554 0.053 0.000 3.077 584 T HA 0.045 4.396 4.350 0.001 0.000 0.269 584 T C 0.616 175.359 174.700 0.073 0.000 1.146 584 T CA 0.230 62.367 62.100 0.062 0.000 1.091 584 T CB -0.338 68.576 68.868 0.077 0.000 0.892 584 T HN 0.101 nan 8.240 nan 0.000 0.533 585 V N 1.312 121.270 119.914 0.072 0.000 2.448 585 V HA 0.484 4.605 4.120 0.001 0.000 0.295 585 V C -0.032 176.091 176.094 0.049 0.000 1.025 585 V CA -1.141 61.212 62.300 0.088 0.000 0.859 585 V CB 1.762 33.656 31.823 0.119 0.000 0.988 585 V HN 0.236 nan 8.190 nan 0.000 0.431 586 R N 2.855 123.386 120.500 0.051 0.000 2.460 586 R HA 0.718 5.058 4.340 0.001 0.000 0.303 586 R C -1.289 175.022 176.300 0.018 0.000 0.968 586 R CA -0.530 55.587 56.100 0.028 0.000 0.889 586 R CB 2.009 32.326 30.300 0.030 0.000 1.123 586 R HN 0.559 nan 8.270 nan 0.000 0.455 587 V N 5.898 125.811 119.914 -0.002 0.000 2.350 587 V HA 0.256 4.376 4.120 0.001 0.000 0.276 587 V C 0.381 176.464 176.094 -0.019 0.000 1.028 587 V CA -0.712 61.575 62.300 -0.021 0.000 0.860 587 V CB 1.235 33.035 31.823 -0.037 0.000 0.990 587 V HN 0.657 nan 8.190 nan 0.000 0.453 588 L N 5.524 126.734 121.223 -0.022 0.000 2.410 588 L HA 0.331 4.671 4.340 0.001 0.000 0.273 588 L C 0.612 177.473 176.870 -0.015 0.000 1.144 588 L CA 0.291 55.124 54.840 -0.012 0.000 0.863 588 L CB 0.482 42.539 42.059 -0.004 0.000 1.140 588 L HN 0.625 nan 8.230 nan 0.000 0.463 589 K N 4.460 124.857 120.400 -0.006 0.000 2.895 589 K HA 0.183 4.503 4.320 0.001 0.000 0.191 589 K C -0.685 175.916 176.600 0.001 0.000 1.117 589 K CA -0.444 55.839 56.287 -0.006 0.000 0.988 589 K CB 0.832 33.325 32.500 -0.011 0.000 1.181 589 K HN 0.566 nan 8.250 nan 0.000 0.598 590 E N -0.400 119.805 120.200 0.008 0.000 3.931 590 E HA -0.206 4.144 4.350 0.001 0.000 0.221 590 E C -2.551 174.054 176.600 0.008 0.000 1.488 590 E CA 0.542 56.948 56.400 0.009 0.000 2.372 590 E CB -1.542 28.161 29.700 0.006 0.000 2.116 590 E HN 0.318 nan 8.360 nan 0.000 0.464 591 P HA 0.077 nan 4.420 nan 0.000 0.263 591 P C 0.099 177.402 177.300 0.005 0.000 1.195 591 P CA 0.241 63.345 63.100 0.006 0.000 0.762 591 P CB 0.148 31.851 31.700 0.005 0.000 0.799 592 I N 0.000 120.573 120.570 0.006 0.000 2.984 592 I HA 0.000 4.171 4.170 0.001 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