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 2xah_1_A DATA FIRST_RESID 171 DATA SEQUENCE PSGVEGAAFQ SRLPHDRMTS QEAACFPDII SGPQQTQKVF LFIRNRTLQL DATA SEQUENCE WLDNPKIQLT FEATLQQLEA PYNSDTVLVH RVHSYLERHG LINFGIYKRI DATA SEQUENCE KPLPTKKTGK VIIIGSGVSG LAAARQLQSF GMDVTLLEAR DRVGGRVATF DATA SEQUENCE RKGNYVADLG AMVVTGLGGN PMAVVSKQVN MELAKIKQKC PLYEANGQAV DATA SEQUENCE PKEKDEMVEQ EFNRLLEATS YLSHQLDFNV LNNKPVSLGQ ALEVVIQLQE DATA SEQUENCE KHVKDEQIEH WKKIVKTQEE LKELLNKMVN LKEKIKELHQ QYKEASEVKP DATA SEQUENCE PRDITAEFLV KSKHRDLTAL CKEYDELAET QGKLEEKLQE LEANPPSDVY DATA SEQUENCE LSSRDRQILD WHFANLEFAN ATPLSTLSLK HWDQDDDFEF TGSHLTVRNG DATA SEQUENCE YSCVPVALAE GLDIKLNTAV RQVRYTASGC EVIAVNTRST SQTFIYKCDA DATA SEQUENCE VLCTLPLGVL KQQPPAVQFV PPLPEWKTSA VQRMGFGNLN KVVLCFDRVF DATA SEQUENCE WDPSVNLFGH VGSTTASRGE LFLFWNLYKA PILLALVAGE AAGIMENISD DATA SEQUENCE DVIVGRCLAI LKGIFGSSAV PQPKETVVSR WRADPWARGS YSYVAAGSSG DATA SEQUENCE NDYDLMAQPI TPGPSIPGAP QPIPRLFFAG EHTIRNYPAT VHGALLSGLR DATA SEQUENCE EAGRIADQFL GAMYTL 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 171 P HA 0.000 nan 4.420 nan 0.000 0.216 171 P C 0.000 177.221 177.300 -0.132 0.000 1.155 171 P CA 0.000 62.945 63.100 -0.259 0.000 0.800 171 P CB 0.000 31.512 31.700 -0.314 0.000 0.726 172 S N -1.194 114.447 115.700 -0.098 0.000 2.672 172 S HA 0.832 5.302 4.470 -0.000 0.000 0.271 172 S C 0.062 174.621 174.600 -0.069 0.000 1.171 172 S CA 0.997 59.160 58.200 -0.060 0.000 0.817 172 S CB 1.130 64.306 63.200 -0.039 0.000 1.150 172 S HN 1.837 nan 8.310 nan 0.000 0.478 173 G N -0.067 108.700 108.800 -0.055 0.000 2.516 173 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.220 173 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.220 173 G C 0.728 175.580 174.900 -0.081 0.000 1.165 173 G CA 0.617 45.680 45.100 -0.060 0.000 1.013 173 G HN 2.078 nan 8.290 nan 0.000 0.590 174 V N -1.740 118.102 119.914 -0.120 0.000 3.235 174 V HA 0.361 4.481 4.120 -0.000 0.000 0.259 174 V C 1.998 178.006 176.094 -0.144 0.000 1.133 174 V CA 2.486 64.678 62.300 -0.179 0.000 1.128 174 V CB -0.055 31.555 31.823 -0.356 0.000 0.757 174 V HN 0.661 nan 8.190 nan 0.000 0.469 175 E N 1.482 121.600 120.200 -0.136 0.000 2.347 175 E HA 0.077 4.426 4.350 -0.000 0.000 0.196 175 E C 2.194 178.785 176.600 -0.015 0.000 1.008 175 E CA 0.954 57.278 56.400 -0.128 0.000 0.852 175 E CB -0.245 29.241 29.700 -0.356 0.000 0.783 175 E HN 0.731 nan 8.360 nan 0.000 0.505 176 G N 1.159 109.951 108.800 -0.012 0.000 2.404 176 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.214 176 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.214 176 G C 1.697 176.679 174.900 0.138 0.000 1.189 176 G CA 0.642 45.788 45.100 0.077 0.000 0.789 176 G HN 0.340 nan 8.290 nan 0.000 0.533 177 A N 1.366 124.210 122.820 0.040 0.000 1.927 177 A HA 0.027 4.347 4.320 -0.000 0.000 0.220 177 A C 2.809 180.416 177.584 0.039 0.000 1.185 177 A CA 2.788 54.836 52.037 0.019 0.000 0.639 177 A CB -0.934 18.047 19.000 -0.032 0.000 0.820 177 A HN 0.918 nan 8.150 nan 0.000 0.451 178 A N -1.339 121.514 122.820 0.054 0.000 1.902 178 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 178 A C 2.091 179.751 177.584 0.126 0.000 1.181 178 A CA 1.697 53.780 52.037 0.077 0.000 0.623 178 A CB -0.692 18.375 19.000 0.112 0.000 0.818 178 A HN 0.876 nan 8.150 nan 0.000 0.443 179 F N 0.624 120.597 119.950 0.039 0.000 2.098 179 F HA -0.118 4.409 4.527 -0.000 0.000 0.294 179 F C 2.175 177.994 175.800 0.031 0.000 1.107 179 F CA 2.061 60.093 58.000 0.053 0.000 1.234 179 F CB -0.404 38.627 39.000 0.051 0.000 1.002 179 F HN 0.296 nan 8.300 nan 0.000 0.472 180 Q N 0.471 120.215 119.800 -0.093 0.000 2.561 180 Q HA -0.049 4.291 4.340 -0.000 0.000 0.217 180 Q C 0.952 176.832 176.000 -0.201 0.000 0.980 180 Q CA 1.398 57.058 55.803 -0.238 0.000 0.927 180 Q CB -0.561 28.159 28.738 -0.030 0.000 0.980 180 Q HN 0.332 nan 8.270 nan 0.000 0.525 181 S N -0.383 115.244 115.700 -0.122 0.000 2.663 181 S HA 0.310 4.780 4.470 -0.000 0.000 0.243 181 S C -0.456 174.104 174.600 -0.066 0.000 1.009 181 S CA -0.242 57.924 58.200 -0.056 0.000 0.988 181 S CB 0.171 63.383 63.200 0.020 0.000 0.896 181 S HN 0.500 nan 8.310 nan 0.000 0.502 182 R N 0.241 120.669 120.500 -0.119 0.000 3.770 182 R HA -0.159 4.181 4.340 -0.000 0.000 0.305 182 R C -1.025 175.301 176.300 0.043 0.000 1.184 182 R CA 0.601 56.684 56.100 -0.029 0.000 0.823 182 R CB -2.151 28.167 30.300 0.031 0.000 1.285 182 R HN 0.321 nan 8.270 nan 0.000 0.499 183 L N 0.661 121.911 121.223 0.045 0.000 2.362 183 L HA 0.554 4.894 4.340 -0.000 0.000 0.271 183 L C -2.037 174.889 176.870 0.094 0.000 1.002 183 L CA -2.480 52.401 54.840 0.068 0.000 0.818 183 L CB 1.579 43.664 42.059 0.044 0.000 1.298 183 L HN -0.251 nan 8.230 nan 0.000 0.420 184 P HA 0.014 nan 4.420 nan 0.000 0.265 184 P C -0.051 177.232 177.300 -0.028 0.000 1.222 184 P CA -0.032 63.083 63.100 0.025 0.000 0.767 184 P CB 0.407 32.100 31.700 -0.011 0.000 0.801 185 H N 2.254 121.349 119.070 0.041 0.000 2.489 185 H HA -0.118 4.437 4.556 -0.000 0.000 0.293 185 H C 0.420 175.738 175.328 -0.018 0.000 1.066 185 H CA 1.672 57.718 56.048 -0.002 0.000 1.305 185 H CB -0.448 29.317 29.762 0.005 0.000 1.386 185 H HN 0.285 nan 8.280 nan 0.000 0.551 186 D N -1.006 119.075 120.400 -0.530 0.000 2.599 186 D HA 0.227 4.867 4.640 -0.000 0.000 0.249 186 D C 0.099 176.313 176.300 -0.143 0.000 1.313 186 D CA -0.487 53.344 54.000 -0.282 0.000 0.815 186 D CB 0.213 40.783 40.800 -0.382 0.000 1.077 186 D HN 0.331 nan 8.370 nan 0.000 0.492 187 R N -0.389 120.049 120.500 -0.104 0.000 2.707 187 R HA 0.526 4.866 4.340 -0.000 0.000 0.272 187 R C -1.070 175.236 176.300 0.010 0.000 1.011 187 R CA -0.719 55.361 56.100 -0.034 0.000 0.893 187 R CB 2.002 32.278 30.300 -0.039 0.000 1.233 187 R HN -0.021 nan 8.270 nan 0.000 0.464 188 M N 2.120 121.752 119.600 0.053 0.000 2.188 188 M HA 0.216 4.696 4.480 -0.000 0.000 0.357 188 M C 0.339 176.678 176.300 0.065 0.000 1.204 188 M CA -0.400 54.959 55.300 0.099 0.000 1.095 188 M CB 1.714 34.384 32.600 0.117 0.000 1.604 188 M HN 0.688 nan 8.290 nan 0.000 0.464 189 T N -0.941 113.659 114.554 0.076 0.000 2.868 189 T HA 0.126 4.476 4.350 -0.000 0.000 0.292 189 T C 1.132 175.874 174.700 0.071 0.000 1.028 189 T CA -0.585 61.559 62.100 0.073 0.000 1.059 189 T CB 1.356 70.279 68.868 0.092 0.000 0.991 189 T HN 0.706 nan 8.240 nan 0.000 0.531 190 S N 0.262 116.002 115.700 0.066 0.000 2.387 190 S HA -0.252 4.217 4.470 -0.000 0.000 0.230 190 S C 2.067 176.718 174.600 0.084 0.000 1.035 190 S CA 2.030 60.267 58.200 0.063 0.000 1.014 190 S CB -0.765 62.468 63.200 0.055 0.000 0.836 190 S HN 0.907 nan 8.310 nan 0.000 0.466 191 Q N 0.292 120.160 119.800 0.112 0.000 2.170 191 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 191 Q C 1.817 177.925 176.000 0.179 0.000 0.976 191 Q CA 1.858 57.759 55.803 0.163 0.000 0.858 191 Q CB -0.207 28.644 28.738 0.187 0.000 0.907 191 Q HN 0.692 nan 8.270 nan 0.000 0.433 192 E N 0.119 120.389 120.200 0.116 0.000 2.051 192 E HA -0.080 4.270 4.350 -0.000 0.000 0.189 192 E C 2.058 178.703 176.600 0.075 0.000 0.979 192 E CA 0.726 57.143 56.400 0.027 0.000 0.803 192 E CB -0.221 29.469 29.700 -0.018 0.000 0.761 192 E HN 0.507 nan 8.360 nan 0.000 0.451 193 A N 1.589 124.433 122.820 0.039 0.000 1.997 193 A HA -0.262 4.058 4.320 -0.000 0.000 0.221 193 A C 2.340 179.948 177.584 0.040 0.000 1.172 193 A CA 1.948 54.000 52.037 0.025 0.000 0.645 193 A CB -0.711 18.302 19.000 0.022 0.000 0.813 193 A HN 0.312 nan 8.150 nan 0.000 0.454 194 A N -1.107 121.753 122.820 0.066 0.000 1.898 194 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 194 A C 1.929 179.527 177.584 0.023 0.000 1.181 194 A CA 1.580 53.650 52.037 0.055 0.000 0.620 194 A CB -0.938 18.118 19.000 0.092 0.000 0.819 194 A HN 0.885 nan 8.150 nan 0.000 0.442 195 C N -2.455 116.873 119.300 0.046 0.000 2.688 195 C HA 0.587 5.047 4.460 -0.000 0.000 0.297 195 C C 0.144 174.821 174.990 -0.521 0.000 1.308 195 C CA -0.567 58.358 59.018 -0.156 0.000 1.726 195 C CB -2.006 25.722 27.740 -0.020 0.000 1.982 195 C HN 0.409 nan 8.230 nan 0.000 0.604 196 F N 0.517 120.361 119.950 -0.178 0.000 2.538 196 F HA 0.251 4.778 4.527 -0.000 0.000 0.390 196 F C -1.454 174.219 175.800 -0.211 0.000 1.448 196 F CA -1.318 56.527 58.000 -0.259 0.000 1.115 196 F CB 0.306 38.992 39.000 -0.524 0.000 1.268 196 F HN -0.063 nan 8.300 nan 0.000 0.515 197 P HA -0.184 nan 4.420 nan 0.000 0.220 197 P C 1.212 178.495 177.300 -0.028 0.000 1.148 197 P CA 1.676 64.759 63.100 -0.027 0.000 0.803 197 P CB 0.139 31.816 31.700 -0.038 0.000 0.782 198 D N 0.612 120.993 120.400 -0.032 0.000 2.092 198 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 198 D C 2.083 178.372 176.300 -0.019 0.000 0.994 198 D CA 1.074 55.061 54.000 -0.022 0.000 0.828 198 D CB -0.901 39.887 40.800 -0.020 0.000 0.963 198 D HN 0.215 nan 8.370 nan 0.000 0.450 199 I N 0.796 121.348 120.570 -0.030 0.000 2.163 199 I HA -0.173 3.997 4.170 -0.000 0.000 0.240 199 I C 2.866 178.939 176.117 -0.073 0.000 1.081 199 I CA 0.668 61.925 61.300 -0.073 0.000 1.353 199 I CB -0.180 37.693 38.000 -0.212 0.000 1.054 199 I HN -0.008 nan 8.210 nan 0.000 0.407 200 I N 0.845 121.361 120.570 -0.091 0.000 2.394 200 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 200 I C 2.328 178.432 176.117 -0.021 0.000 1.136 200 I CA 1.590 62.858 61.300 -0.054 0.000 1.425 200 I CB 0.055 38.024 38.000 -0.052 0.000 1.079 200 I HN 0.299 nan 8.210 nan 0.000 0.425 201 S N -0.307 115.382 115.700 -0.019 0.000 2.593 201 S HA 0.157 4.626 4.470 -0.000 0.000 0.217 201 S C 1.089 175.687 174.600 -0.004 0.000 0.966 201 S CA -0.007 58.188 58.200 -0.009 0.000 0.914 201 S CB -0.421 62.773 63.200 -0.010 0.000 0.776 201 S HN 0.407 nan 8.310 nan 0.000 0.523 202 G N 2.250 111.047 108.800 -0.005 0.000 2.494 202 G HA2 0.551 4.511 3.960 -0.000 0.000 0.270 202 G HA3 0.551 4.511 3.960 -0.000 0.000 0.270 202 G C -2.848 172.059 174.900 0.012 0.000 1.423 202 G CA -1.498 43.604 45.100 0.004 0.000 1.055 202 G HN 0.339 nan 8.290 nan 0.000 0.536 203 P HA 0.256 nan 4.420 nan 0.000 0.286 203 P C 0.325 177.646 177.300 0.035 0.000 1.261 203 P CA -0.531 62.583 63.100 0.024 0.000 0.821 203 P CB 1.461 33.176 31.700 0.024 0.000 1.013 204 Q N 0.620 120.441 119.800 0.035 0.000 2.248 204 Q HA -0.224 4.116 4.340 -0.000 0.000 0.208 204 Q C 1.646 177.681 176.000 0.059 0.000 0.984 204 Q CA 1.599 57.428 55.803 0.044 0.000 0.875 204 Q CB -0.280 28.480 28.738 0.038 0.000 0.910 204 Q HN 0.490 nan 8.270 nan 0.000 0.433 205 Q N 0.474 120.307 119.800 0.055 0.000 1.990 205 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 205 Q C 2.047 178.100 176.000 0.088 0.000 0.980 205 Q CA 2.537 58.379 55.803 0.065 0.000 0.832 205 Q CB -0.760 28.007 28.738 0.048 0.000 0.897 205 Q HN 0.548 nan 8.270 nan 0.000 0.427 206 T N -1.202 113.400 114.554 0.081 0.000 2.720 206 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 206 T C 1.826 176.608 174.700 0.137 0.000 1.037 206 T CA 1.607 63.768 62.100 0.102 0.000 1.144 206 T CB -0.402 68.511 68.868 0.075 0.000 0.864 206 T HN 0.386 nan 8.240 nan 0.000 0.444 207 Q N 0.974 120.843 119.800 0.116 0.000 2.112 207 Q HA -0.118 4.221 4.340 -0.000 0.000 0.206 207 Q C 2.504 178.614 176.000 0.183 0.000 0.987 207 Q CA 1.644 57.539 55.803 0.153 0.000 0.858 207 Q CB -0.247 28.552 28.738 0.101 0.000 0.905 207 Q HN 0.563 nan 8.270 nan 0.000 0.420 208 K N -0.182 120.303 120.400 0.140 0.000 2.147 208 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 208 K C 1.985 178.677 176.600 0.153 0.000 1.049 208 K CA 1.038 57.406 56.287 0.134 0.000 0.936 208 K CB 0.128 32.706 32.500 0.131 0.000 0.722 208 K HN 0.038 nan 8.250 nan 0.000 0.446 209 V N 0.820 120.852 119.914 0.196 0.000 2.323 209 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 209 V C 1.905 178.095 176.094 0.161 0.000 1.041 209 V CA 1.580 64.020 62.300 0.234 0.000 1.025 209 V CB -0.576 31.420 31.823 0.288 0.000 0.656 209 V HN 0.251 nan 8.190 nan 0.000 0.451 210 F N 0.988 120.955 119.950 0.028 0.000 2.046 210 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 210 F C 2.072 177.818 175.800 -0.090 0.000 1.123 210 F CA 1.718 59.680 58.000 -0.064 0.000 1.199 210 F CB -0.616 38.292 39.000 -0.153 0.000 0.972 210 F HN 0.015 nan 8.300 nan 0.000 0.474 211 L N -0.873 120.104 121.223 -0.410 0.000 2.012 211 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 211 L C 2.565 179.224 176.870 -0.351 0.000 1.073 211 L CA 1.934 56.482 54.840 -0.488 0.000 0.748 211 L CB -1.007 40.962 42.059 -0.151 0.000 0.891 211 L HN 0.278 nan 8.230 nan 0.000 0.431 212 F N 0.780 120.536 119.950 -0.323 0.000 2.095 212 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 212 F C 2.318 177.893 175.800 -0.376 0.000 1.104 212 F CA 1.628 59.402 58.000 -0.378 0.000 1.232 212 F CB -0.073 38.548 39.000 -0.631 0.000 0.987 212 F HN -0.097 nan 8.300 nan 0.000 0.475 213 I N -0.018 120.502 120.570 -0.084 0.000 2.127 213 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 213 I C 2.700 178.706 176.117 -0.184 0.000 1.075 213 I CA 1.441 62.720 61.300 -0.036 0.000 1.334 213 I CB -0.791 37.248 38.000 0.065 0.000 1.040 213 I HN 0.112 nan 8.210 nan 0.000 0.405 214 R N 1.562 121.853 120.500 -0.348 0.000 2.154 214 R HA -0.267 4.073 4.340 -0.000 0.000 0.236 214 R C 2.086 178.227 176.300 -0.266 0.000 1.121 214 R CA 2.711 58.593 56.100 -0.362 0.000 0.915 214 R CB -0.769 29.132 30.300 -0.665 0.000 0.856 214 R HN 0.398 nan 8.270 nan 0.000 0.431 215 N N 0.443 118.941 118.700 -0.336 0.000 2.094 215 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 215 N C 1.873 177.193 175.510 -0.316 0.000 1.023 215 N CA 1.468 54.340 53.050 -0.296 0.000 0.857 215 N CB -0.554 37.733 38.487 -0.332 0.000 1.013 215 N HN 0.206 nan 8.380 nan 0.000 0.426 216 R N 0.872 121.089 120.500 -0.471 0.000 2.081 216 R HA 0.021 4.361 4.340 -0.000 0.000 0.235 216 R C 1.892 178.111 176.300 -0.135 0.000 1.131 216 R CA 1.654 57.524 56.100 -0.383 0.000 0.960 216 R CB -1.006 29.015 30.300 -0.465 0.000 0.856 216 R HN 0.213 nan 8.270 nan 0.000 0.436 217 T N 1.184 115.691 114.554 -0.078 0.000 2.708 217 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 217 T C 1.827 176.553 174.700 0.044 0.000 1.037 217 T CA 1.589 63.704 62.100 0.025 0.000 1.146 217 T CB -0.278 68.626 68.868 0.060 0.000 0.865 217 T HN 0.129 nan 8.240 nan 0.000 0.435 218 L N 0.835 122.061 121.223 0.005 0.000 1.989 218 L HA -0.223 4.116 4.340 -0.000 0.000 0.211 218 L C 2.968 179.878 176.870 0.066 0.000 1.071 218 L CA 1.768 56.647 54.840 0.065 0.000 0.749 218 L CB -0.678 41.391 42.059 0.017 0.000 0.890 218 L HN 0.319 nan 8.230 nan 0.000 0.431 219 Q N 0.316 120.105 119.800 -0.018 0.000 2.029 219 Q HA -0.285 4.055 4.340 -0.000 0.000 0.209 219 Q C 2.327 178.313 176.000 -0.023 0.000 0.999 219 Q CA 2.210 57.988 55.803 -0.042 0.000 0.857 219 Q CB -0.321 28.368 28.738 -0.081 0.000 0.926 219 Q HN 0.432 nan 8.270 nan 0.000 0.415 220 L N 0.037 121.266 121.223 0.010 0.000 1.990 220 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 220 L C 2.454 179.360 176.870 0.060 0.000 1.072 220 L CA 2.143 57.005 54.840 0.035 0.000 0.755 220 L CB -0.873 41.227 42.059 0.068 0.000 0.889 220 L HN 0.598 nan 8.230 nan 0.000 0.432 221 W N 0.626 121.882 121.300 -0.072 0.000 2.335 221 W HA -0.252 4.408 4.660 -0.000 0.000 0.311 221 W C 2.135 178.581 176.519 -0.122 0.000 1.213 221 W CA 1.471 58.749 57.345 -0.112 0.000 1.274 221 W CB -0.298 29.076 29.460 -0.143 0.000 1.148 221 W HN 0.123 nan 8.180 nan 0.000 0.498 222 L N 0.951 121.965 121.223 -0.348 0.000 2.046 222 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 222 L C 2.193 178.829 176.870 -0.390 0.000 1.077 222 L CA 1.769 56.316 54.840 -0.488 0.000 0.747 222 L CB -1.091 40.843 42.059 -0.208 0.000 0.896 222 L HN -0.142 nan 8.230 nan 0.000 0.432 223 D N -0.130 120.131 120.400 -0.231 0.000 2.311 223 D HA -0.148 4.492 4.640 -0.000 0.000 0.212 223 D C 0.578 176.760 176.300 -0.197 0.000 0.972 223 D CA 1.062 54.961 54.000 -0.168 0.000 0.887 223 D CB -0.182 40.560 40.800 -0.097 0.000 0.915 223 D HN 0.177 nan 8.370 nan 0.000 0.497 224 N N -1.211 117.313 118.700 -0.293 0.000 3.029 224 N HA 0.067 4.807 4.740 -0.000 0.000 0.198 224 N C -2.749 172.518 175.510 -0.405 0.000 1.444 224 N CA -0.871 52.027 53.050 -0.253 0.000 0.784 224 N CB 0.928 39.343 38.487 -0.120 0.000 1.539 224 N HN -0.196 nan 8.380 nan 0.000 0.582 225 P HA 0.274 nan 4.420 nan 0.000 0.259 225 P C 0.507 177.587 177.300 -0.367 0.000 1.530 225 P CA 0.023 62.461 63.100 -1.102 0.000 1.022 225 P CB 0.438 31.232 31.700 -1.510 0.000 1.514 226 K N 0.346 120.655 120.400 -0.151 0.000 2.393 226 K HA 0.215 4.535 4.320 -0.000 0.000 0.193 226 K C 1.018 177.684 176.600 0.111 0.000 1.026 226 K CA 0.276 56.565 56.287 0.003 0.000 1.064 226 K CB 0.469 32.955 32.500 -0.023 0.000 0.833 226 K HN 0.391 nan 8.250 nan 0.000 0.521 227 I N -1.895 118.754 120.570 0.132 0.000 2.619 227 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 227 I C -0.307 175.939 176.117 0.215 0.000 1.100 227 I CA -1.158 60.244 61.300 0.171 0.000 1.043 227 I CB 1.935 39.992 38.000 0.096 0.000 1.239 227 I HN -0.180 nan 8.210 nan 0.000 0.420 228 Q N 3.656 123.564 119.800 0.179 0.000 2.428 228 Q HA 0.214 4.554 4.340 -0.000 0.000 0.276 228 Q C -1.411 174.626 176.000 0.061 0.000 1.059 228 Q CA -0.106 55.708 55.803 0.018 0.000 0.923 228 Q CB 1.187 29.972 28.738 0.078 0.000 1.283 228 Q HN 0.754 nan 8.270 nan 0.000 0.447 229 L N 4.120 125.352 121.223 0.015 0.000 2.318 229 L HA 0.375 4.715 4.340 -0.000 0.000 0.277 229 L C -0.571 176.429 176.870 0.216 0.000 1.008 229 L CA -0.144 54.768 54.840 0.120 0.000 0.846 229 L CB 1.412 43.576 42.059 0.174 0.000 1.220 229 L HN 0.821 nan 8.230 nan 0.000 0.423 230 T N 0.658 115.287 114.554 0.126 0.000 2.874 230 T HA 0.187 4.537 4.350 -0.000 0.000 0.281 230 T C 1.012 175.612 174.700 -0.167 0.000 0.994 230 T CA -0.333 61.798 62.100 0.053 0.000 1.015 230 T CB 0.632 69.525 68.868 0.042 0.000 1.028 230 T HN 0.429 nan 8.240 nan 0.000 0.523 231 F N 1.639 121.269 119.950 -0.534 0.000 2.095 231 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 231 F C 1.907 177.606 175.800 -0.167 0.000 1.104 231 F CA 1.697 59.384 58.000 -0.521 0.000 1.232 231 F CB -0.905 37.989 39.000 -0.178 0.000 0.987 231 F HN 0.698 nan 8.300 nan 0.000 0.475 232 E N 0.975 120.987 120.200 -0.314 0.000 2.002 232 E HA -0.205 4.145 4.350 -0.000 0.000 0.205 232 E C 2.389 178.852 176.600 -0.228 0.000 1.020 232 E CA 1.836 58.037 56.400 -0.331 0.000 0.856 232 E CB -1.363 28.251 29.700 -0.142 0.000 0.788 232 E HN 0.362 nan 8.360 nan 0.000 0.477 233 A N 0.315 123.072 122.820 -0.105 0.000 2.082 233 A HA -0.330 3.989 4.320 -0.000 0.000 0.224 233 A C 2.297 179.860 177.584 -0.034 0.000 1.179 233 A CA 2.604 54.614 52.037 -0.045 0.000 0.670 233 A CB -1.316 17.686 19.000 0.004 0.000 0.817 233 A HN 0.358 nan 8.150 nan 0.000 0.475 234 T N -0.574 113.949 114.554 -0.052 0.000 2.668 234 T HA -0.051 4.299 4.350 -0.000 0.000 0.258 234 T C 1.834 176.520 174.700 -0.023 0.000 1.051 234 T CA 1.234 63.343 62.100 0.014 0.000 1.155 234 T CB -0.471 68.465 68.868 0.112 0.000 0.864 234 T HN 0.314 nan 8.240 nan 0.000 0.413 235 L N 1.598 122.733 121.223 -0.147 0.000 2.013 235 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 235 L C 2.536 179.359 176.870 -0.079 0.000 1.073 235 L CA 1.860 56.618 54.840 -0.138 0.000 0.753 235 L CB -1.055 40.784 42.059 -0.366 0.000 0.890 235 L HN 0.123 nan 8.230 nan 0.000 0.432 236 Q N -0.101 119.633 119.800 -0.111 0.000 2.188 236 Q HA -0.336 4.004 4.340 -0.000 0.000 0.217 236 Q C 2.240 178.233 176.000 -0.012 0.000 1.018 236 Q CA 2.490 58.258 55.803 -0.058 0.000 0.910 236 Q CB -0.454 28.248 28.738 -0.060 0.000 0.979 236 Q HN 0.696 nan 8.270 nan 0.000 0.413 237 Q N -1.286 118.519 119.800 0.009 0.000 2.319 237 Q HA 0.260 4.600 4.340 -0.000 0.000 0.202 237 Q C -0.479 175.569 176.000 0.080 0.000 0.896 237 Q CA -0.284 55.543 55.803 0.041 0.000 0.942 237 Q CB 0.424 29.189 28.738 0.045 0.000 1.083 237 Q HN 0.208 nan 8.270 nan 0.000 0.510 238 L N 0.298 121.575 121.223 0.090 0.000 2.448 238 L HA 0.264 4.603 4.340 -0.000 0.000 0.258 238 L C 0.342 177.287 176.870 0.124 0.000 1.104 238 L CA -0.219 54.713 54.840 0.154 0.000 0.800 238 L CB 0.806 42.979 42.059 0.190 0.000 1.241 238 L HN -0.002 nan 8.230 nan 0.000 0.472 239 E N -0.100 120.196 120.200 0.159 0.000 2.299 239 E HA 0.601 4.951 4.350 -0.000 0.000 0.260 239 E C -0.817 175.779 176.600 -0.008 0.000 0.944 239 E CA -1.007 55.432 56.400 0.065 0.000 0.815 239 E CB 1.534 31.262 29.700 0.046 0.000 1.252 239 E HN 0.556 nan 8.360 nan 0.000 0.418 240 A N 1.383 124.154 122.820 -0.083 0.000 2.425 240 A HA 0.323 4.643 4.320 -0.000 0.000 0.242 240 A C -1.710 175.637 177.584 -0.394 0.000 1.077 240 A CA -0.819 51.114 52.037 -0.173 0.000 0.781 240 A CB -0.299 18.627 19.000 -0.124 0.000 1.020 240 A HN 0.314 nan 8.150 nan 0.000 0.494 241 P HA 0.079 nan 4.420 nan 0.000 0.253 241 P C -0.106 177.008 177.300 -0.311 0.000 1.281 241 P CA 0.661 63.508 63.100 -0.421 0.000 0.792 241 P CB -0.047 31.404 31.700 -0.415 0.000 1.193 242 Y N 0.748 121.013 120.300 -0.058 0.000 2.266 242 Y HA -0.028 4.521 4.550 -0.000 0.000 0.294 242 Y C 2.101 178.031 175.900 0.050 0.000 1.127 242 Y CA 0.800 58.892 58.100 -0.013 0.000 1.140 242 Y CB -1.532 36.895 38.460 -0.054 0.000 1.071 242 Y HN 0.060 nan 8.280 nan 0.000 0.525 243 N N 0.388 119.196 118.700 0.180 0.000 2.609 243 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 243 N C 1.503 177.063 175.510 0.084 0.000 1.157 243 N CA 0.854 53.980 53.050 0.125 0.000 0.918 243 N CB -0.468 38.070 38.487 0.083 0.000 0.978 243 N HN 0.279 nan 8.380 nan 0.000 0.448 244 S N 0.411 116.149 115.700 0.062 0.000 2.426 244 S HA -0.234 4.236 4.470 -0.000 0.000 0.220 244 S C 0.466 175.113 174.600 0.079 0.000 1.040 244 S CA 1.055 59.282 58.200 0.044 0.000 1.094 244 S CB -0.816 62.391 63.200 0.012 0.000 1.072 244 S HN 0.461 nan 8.310 nan 0.000 0.415 245 D N 0.374 120.839 120.400 0.108 0.000 2.317 245 D HA 0.238 4.878 4.640 -0.000 0.000 0.252 245 D C 1.032 177.436 176.300 0.175 0.000 1.174 245 D CA 0.602 54.678 54.000 0.127 0.000 0.866 245 D CB 1.546 42.424 40.800 0.130 0.000 1.127 245 D HN 0.525 nan 8.370 nan 0.000 0.467 246 T N -0.133 114.528 114.554 0.177 0.000 3.014 246 T HA -0.011 4.339 4.350 -0.000 0.000 0.250 246 T C 1.876 176.746 174.700 0.283 0.000 1.060 246 T CA 0.695 62.955 62.100 0.266 0.000 1.040 246 T CB -0.278 68.745 68.868 0.259 0.000 0.971 246 T HN 0.194 nan 8.240 nan 0.000 0.497 247 V N 0.934 120.961 119.914 0.188 0.000 2.261 247 V HA -0.051 4.069 4.120 -0.000 0.000 0.246 247 V C 2.465 178.679 176.094 0.201 0.000 1.047 247 V CA 1.141 63.539 62.300 0.163 0.000 1.015 247 V CB -1.603 30.284 31.823 0.108 0.000 0.642 247 V HN 0.343 nan 8.190 nan 0.000 0.446 248 L N 0.537 121.885 121.223 0.209 0.000 1.965 248 L HA -0.202 4.138 4.340 -0.000 0.000 0.226 248 L C 2.562 179.613 176.870 0.302 0.000 1.083 248 L CA 2.335 57.329 54.840 0.257 0.000 0.790 248 L CB -1.060 41.143 42.059 0.240 0.000 0.898 248 L HN 0.179 nan 8.230 nan 0.000 0.439 249 V N -0.653 119.459 119.914 0.329 0.000 2.313 249 V HA -0.405 3.715 4.120 -0.000 0.000 0.253 249 V C 2.550 178.898 176.094 0.422 0.000 1.070 249 V CA 2.292 64.840 62.300 0.413 0.000 1.057 249 V CB -0.898 31.210 31.823 0.475 0.000 0.653 249 V HN 0.726 nan 8.190 nan 0.000 0.450 250 H N -0.034 119.092 119.070 0.093 0.000 2.363 250 H HA -0.063 4.493 4.556 -0.000 0.000 0.301 250 H C 2.442 177.694 175.328 -0.128 0.000 1.074 250 H CA 1.919 57.641 56.048 -0.544 0.000 1.354 250 H CB -0.069 29.160 29.762 -0.888 0.000 1.397 250 H HN 0.295 nan 8.280 nan 0.000 0.516 251 R N -0.471 120.056 120.500 0.045 0.000 2.097 251 R HA -0.151 4.189 4.340 -0.000 0.000 0.236 251 R C 2.428 178.895 176.300 0.278 0.000 1.135 251 R CA 1.816 57.996 56.100 0.134 0.000 0.934 251 R CB -0.692 29.750 30.300 0.236 0.000 0.846 251 R HN 0.183 nan 8.270 nan 0.000 0.431 252 V N 0.640 120.796 119.914 0.404 0.000 2.231 252 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 252 V C 2.472 178.719 176.094 0.255 0.000 1.054 252 V CA 2.211 64.743 62.300 0.388 0.000 1.015 252 V CB -0.844 31.141 31.823 0.270 0.000 0.638 252 V HN 0.507 nan 8.190 nan 0.000 0.444 253 H N -0.001 119.131 119.070 0.103 0.000 2.390 253 H HA -0.151 4.405 4.556 -0.000 0.000 0.298 253 H C 2.359 177.645 175.328 -0.071 0.000 1.106 253 H CA 2.117 58.192 56.048 0.044 0.000 1.297 253 H CB 0.038 29.875 29.762 0.124 0.000 1.375 253 H HN 0.443 nan 8.280 nan 0.000 0.509 254 S N -0.121 115.524 115.700 -0.091 0.000 2.406 254 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 254 S C 1.841 176.201 174.600 -0.400 0.000 1.020 254 S CA 0.875 58.935 58.200 -0.233 0.000 0.965 254 S CB -0.455 62.580 63.200 -0.276 0.000 0.798 254 S HN 0.593 nan 8.310 nan 0.000 0.488 255 Y N 2.776 122.753 120.300 -0.537 0.000 2.070 255 Y HA -0.087 4.463 4.550 -0.000 0.000 0.279 255 Y C 1.836 177.562 175.900 -0.291 0.000 1.134 255 Y CA 1.375 59.109 58.100 -0.609 0.000 1.113 255 Y CB -0.692 37.640 38.460 -0.214 0.000 0.981 255 Y HN 0.081 nan 8.280 nan 0.000 0.487 256 L N 0.516 121.581 121.223 -0.263 0.000 2.137 256 L HA -0.281 4.059 4.340 -0.000 0.000 0.213 256 L C 2.558 179.208 176.870 -0.367 0.000 1.085 256 L CA 2.105 56.728 54.840 -0.362 0.000 0.760 256 L CB -0.647 41.302 42.059 -0.184 0.000 0.893 256 L HN 0.465 nan 8.230 nan 0.000 0.434 257 E N 0.065 120.032 120.200 -0.388 0.000 2.112 257 E HA -0.219 4.131 4.350 -0.000 0.000 0.190 257 E C 2.283 178.813 176.600 -0.118 0.000 0.979 257 E CA 0.426 56.641 56.400 -0.309 0.000 0.814 257 E CB 0.180 29.676 29.700 -0.340 0.000 0.762 257 E HN 0.160 nan 8.360 nan 0.000 0.460 258 R N 0.319 120.692 120.500 -0.212 0.000 2.075 258 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 258 R C 0.925 177.159 176.300 -0.109 0.000 1.126 258 R CA 1.768 57.709 56.100 -0.265 0.000 0.963 258 R CB -0.585 29.515 30.300 -0.332 0.000 0.858 258 R HN 0.235 nan 8.270 nan 0.000 0.435 259 H N -0.879 118.028 119.070 -0.271 0.000 2.567 259 H HA 0.346 4.902 4.556 -0.000 0.000 0.294 259 H C 0.756 175.981 175.328 -0.172 0.000 1.050 259 H CA 0.406 56.320 56.048 -0.223 0.000 1.168 259 H CB 0.148 29.669 29.762 -0.403 0.000 1.422 259 H HN 0.478 nan 8.280 nan 0.000 0.562 260 G N 0.634 109.437 108.800 0.005 0.000 2.212 260 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.267 260 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.267 260 G C 1.152 176.101 174.900 0.083 0.000 1.002 260 G CA 0.756 45.874 45.100 0.031 0.000 0.729 260 G HN 0.515 nan 8.290 nan 0.000 0.517 261 L N -0.670 120.540 121.223 -0.021 0.000 2.141 261 L HA 0.199 4.539 4.340 -0.000 0.000 0.209 261 L C 1.732 178.611 176.870 0.015 0.000 1.094 261 L CA 1.546 56.410 54.840 0.042 0.000 0.763 261 L CB -0.227 41.782 42.059 -0.084 0.000 0.908 261 L HN 0.658 nan 8.230 nan 0.000 0.437 262 I N -4.853 115.493 120.570 -0.373 0.000 2.934 262 I HA 0.354 4.524 4.170 -0.000 0.000 0.306 262 I C -0.682 174.633 176.117 -1.337 0.000 1.110 262 I CA -0.990 59.581 61.300 -1.214 0.000 1.019 262 I CB 1.777 39.288 38.000 -0.817 0.000 1.227 262 I HN 0.031 nan 8.210 nan 0.000 0.434 263 N N 2.762 119.949 118.700 -2.523 0.000 2.667 263 N HA -0.235 4.505 4.740 -0.000 0.000 0.263 263 N C -1.114 173.920 175.510 -0.793 0.000 1.038 263 N CA 1.065 52.923 53.050 -1.986 0.000 0.749 263 N CB -1.439 36.147 38.487 -1.502 0.000 0.892 263 N HN 0.699 nan 8.380 nan 0.000 0.546 264 F N -2.276 117.472 119.950 -0.337 0.000 2.579 264 F HA 0.871 5.397 4.527 -0.000 0.000 0.324 264 F C 1.033 177.063 175.800 0.385 0.000 1.058 264 F CA 0.010 58.096 58.000 0.142 0.000 0.944 264 F CB 1.275 40.285 39.000 0.015 0.000 1.245 264 F HN 0.337 nan 8.300 nan 0.000 0.477 265 G N 1.631 110.734 108.800 0.505 0.000 2.503 265 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.235 265 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.235 265 G C -1.295 173.671 174.900 0.110 0.000 1.179 265 G CA -0.309 44.991 45.100 0.334 0.000 0.944 265 G HN 0.903 nan 8.290 nan 0.000 0.580 266 I N 2.390 123.030 120.570 0.117 0.000 2.371 266 I HA 0.548 4.718 4.170 -0.000 0.000 0.282 266 I C -0.180 175.995 176.117 0.097 0.000 1.031 266 I CA -0.632 60.659 61.300 -0.015 0.000 1.180 266 I CB 0.744 38.745 38.000 0.001 0.000 1.336 266 I HN 0.580 nan 8.210 nan 0.000 0.467 267 Y N 3.868 124.213 120.300 0.076 0.000 2.587 267 Y HA 0.669 5.219 4.550 -0.000 0.000 0.337 267 Y C -0.182 175.752 175.900 0.057 0.000 1.065 267 Y CA -1.625 56.532 58.100 0.094 0.000 1.126 267 Y CB 0.658 39.216 38.460 0.163 0.000 1.279 267 Y HN 0.114 nan 8.280 nan 0.000 0.489 268 K N 2.439 122.981 120.400 0.237 0.000 2.276 268 K HA 0.217 4.537 4.320 -0.000 0.000 0.285 268 K C -0.496 176.233 176.600 0.216 0.000 1.062 268 K CA -0.343 56.032 56.287 0.146 0.000 0.918 268 K CB 0.878 33.441 32.500 0.105 0.000 1.055 268 K HN 0.922 nan 8.250 nan 0.000 0.477 269 R N 4.070 124.665 120.500 0.159 0.000 2.490 269 R HA 0.128 4.468 4.340 -0.000 0.000 0.280 269 R C 1.148 177.522 176.300 0.124 0.000 1.077 269 R CA 0.022 56.229 56.100 0.179 0.000 1.065 269 R CB 0.461 30.832 30.300 0.117 0.000 1.003 269 R HN 0.635 nan 8.270 nan 0.000 0.470 270 I N 3.006 123.648 120.570 0.121 0.000 2.494 270 I HA -0.090 4.080 4.170 -0.000 0.000 0.250 270 I C 0.345 176.505 176.117 0.073 0.000 1.112 270 I CA 0.876 62.227 61.300 0.086 0.000 1.438 270 I CB 0.056 38.103 38.000 0.078 0.000 1.111 270 I HN 0.468 nan 8.210 nan 0.000 0.431 271 K N 2.559 123.009 120.400 0.083 0.000 2.291 271 K HA 0.374 4.694 4.320 -0.000 0.000 0.242 271 K C -2.446 174.195 176.600 0.067 0.000 1.098 271 K CA -1.746 54.584 56.287 0.071 0.000 1.036 271 K CB -0.045 32.502 32.500 0.078 0.000 1.655 271 K HN -0.086 nan 8.250 nan 0.000 0.432 272 P HA -0.176 nan 4.420 nan 0.000 0.268 272 P C -0.097 177.229 177.300 0.044 0.000 1.171 272 P CA 0.211 63.337 63.100 0.043 0.000 0.761 272 P CB 0.497 32.216 31.700 0.032 0.000 0.786 273 L N 5.463 126.708 121.223 0.037 0.000 2.654 273 L HA 0.031 4.371 4.340 -0.000 0.000 0.271 273 L C -1.434 175.460 176.870 0.039 0.000 1.169 273 L CA -1.270 53.594 54.840 0.040 0.000 0.947 273 L CB -0.608 41.466 42.059 0.025 0.000 1.232 273 L HN 0.385 nan 8.230 nan 0.000 0.486 274 P HA -0.177 nan 4.420 nan 0.000 0.259 274 P C 0.692 178.015 177.300 0.037 0.000 1.120 274 P CA 0.642 63.771 63.100 0.047 0.000 0.759 274 P CB 0.497 32.233 31.700 0.060 0.000 0.704 275 T N 2.268 116.841 114.554 0.032 0.000 2.812 275 T HA -0.077 4.273 4.350 -0.000 0.000 0.264 275 T C 0.708 175.421 174.700 0.022 0.000 1.042 275 T CA 1.056 63.170 62.100 0.024 0.000 1.140 275 T CB -0.002 68.880 68.868 0.022 0.000 0.870 275 T HN 0.272 nan 8.240 nan 0.000 0.445 276 K N 0.954 121.368 120.400 0.024 0.000 2.203 276 K HA 0.455 4.775 4.320 -0.000 0.000 0.251 276 K C -0.888 175.728 176.600 0.027 0.000 0.944 276 K CA -0.754 55.546 56.287 0.022 0.000 0.829 276 K CB 1.183 33.696 32.500 0.021 0.000 1.125 276 K HN 0.047 nan 8.250 nan 0.000 0.430 277 K N 0.785 121.199 120.400 0.023 0.000 2.090 277 K HA 0.378 4.698 4.320 -0.000 0.000 0.249 277 K C -0.883 175.734 176.600 0.029 0.000 0.995 277 K CA -0.714 55.589 56.287 0.026 0.000 0.914 277 K CB 1.651 34.160 32.500 0.016 0.000 1.057 277 K HN 0.490 nan 8.250 nan 0.000 0.462 278 T N 0.369 114.943 114.554 0.034 0.000 2.848 278 T HA 0.609 4.959 4.350 -0.000 0.000 0.285 278 T C -0.239 174.481 174.700 0.033 0.000 0.995 278 T CA -0.588 61.536 62.100 0.040 0.000 0.970 278 T CB 1.514 70.413 68.868 0.053 0.000 0.976 278 T HN 0.882 nan 8.240 nan 0.000 0.441 279 G N 1.827 110.645 108.800 0.030 0.000 2.785 279 G HA2 0.070 4.030 3.960 -0.000 0.000 0.685 279 G HA3 0.070 4.030 3.960 -0.000 0.000 0.685 279 G C -0.856 174.013 174.900 -0.053 0.000 1.480 279 G CA -0.427 44.670 45.100 -0.005 0.000 0.915 279 G HN 0.934 nan 8.290 nan 0.000 0.576 280 K N -0.369 119.971 120.400 -0.100 0.000 2.507 280 K HA 0.710 5.030 4.320 -0.000 0.000 0.251 280 K C -0.742 175.770 176.600 -0.146 0.000 0.943 280 K CA -0.704 55.528 56.287 -0.091 0.000 0.794 280 K CB 2.140 34.619 32.500 -0.035 0.000 1.188 280 K HN 1.046 nan 8.250 nan 0.000 0.428 281 V N 5.041 124.871 119.914 -0.139 0.000 2.487 281 V HA 0.507 4.627 4.120 -0.000 0.000 0.298 281 V C -0.476 175.548 176.094 -0.118 0.000 1.028 281 V CA -0.953 61.250 62.300 -0.162 0.000 0.860 281 V CB 1.481 33.182 31.823 -0.203 0.000 0.991 281 V HN 0.694 nan 8.190 nan 0.000 0.427 282 I N 5.373 125.881 120.570 -0.104 0.000 2.331 282 I HA 0.437 4.607 4.170 -0.000 0.000 0.292 282 I C -0.006 176.037 176.117 -0.123 0.000 0.998 282 I CA -0.587 60.642 61.300 -0.119 0.000 1.267 282 I CB 1.419 39.358 38.000 -0.103 0.000 1.386 282 I HN 0.473 nan 8.210 nan 0.000 0.476 283 I N 7.346 127.831 120.570 -0.142 0.000 2.355 283 I HA 0.344 4.514 4.170 -0.000 0.000 0.288 283 I C 0.098 176.138 176.117 -0.129 0.000 0.999 283 I CA -0.582 60.645 61.300 -0.122 0.000 1.163 283 I CB 1.334 39.261 38.000 -0.121 0.000 1.316 283 I HN 0.290 nan 8.210 nan 0.000 0.454 284 I N 6.203 126.716 120.570 -0.095 0.000 2.379 284 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 284 I C 0.818 176.895 176.117 -0.067 0.000 1.063 284 I CA 0.144 61.390 61.300 -0.090 0.000 1.351 284 I CB 0.439 38.412 38.000 -0.046 0.000 1.410 284 I HN 0.841 nan 8.210 nan 0.000 0.505 285 G N 4.233 112.972 108.800 -0.101 0.000 3.039 285 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 285 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 285 G C -0.015 174.839 174.900 -0.077 0.000 1.066 285 G CA -0.260 44.790 45.100 -0.083 0.000 0.774 285 G HN 0.803 nan 8.290 nan 0.000 0.591 286 S N 1.610 117.261 115.700 -0.082 0.000 2.481 286 S HA 0.603 5.073 4.470 -0.000 0.000 0.243 286 S C 1.331 175.903 174.600 -0.047 0.000 1.152 286 S CA 0.554 58.712 58.200 -0.070 0.000 1.168 286 S CB 0.619 63.770 63.200 -0.081 0.000 0.835 286 S HN 1.987 nan 8.310 nan 0.000 0.474 287 G N 0.842 109.624 108.800 -0.030 0.000 2.750 287 G HA2 0.273 4.233 3.960 -0.000 0.000 0.250 287 G HA3 0.273 4.233 3.960 -0.000 0.000 0.250 287 G C 0.956 175.829 174.900 -0.044 0.000 1.230 287 G CA -0.283 44.804 45.100 -0.023 0.000 0.883 287 G HN 0.281 nan 8.290 nan 0.000 0.573 288 V N 0.849 120.727 119.914 -0.060 0.000 2.343 288 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 288 V C 3.273 179.329 176.094 -0.063 0.000 1.051 288 V CA 2.706 64.963 62.300 -0.071 0.000 1.036 288 V CB -0.673 31.088 31.823 -0.103 0.000 0.654 288 V HN 0.939 nan 8.190 nan 0.000 0.451 289 S N 1.027 116.692 115.700 -0.057 0.000 2.353 289 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 289 S C 2.148 176.713 174.600 -0.058 0.000 1.035 289 S CA 1.822 59.987 58.200 -0.057 0.000 1.025 289 S CB -1.208 61.964 63.200 -0.046 0.000 0.902 289 S HN 0.538 nan 8.310 nan 0.000 0.440 290 G N 2.238 111.008 108.800 -0.049 0.000 2.514 290 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 290 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 290 G C 1.518 176.372 174.900 -0.076 0.000 1.198 290 G CA 1.235 46.298 45.100 -0.061 0.000 0.780 290 G HN 0.523 nan 8.290 nan 0.000 0.565 291 L N 0.969 122.150 121.223 -0.070 0.000 1.971 291 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 291 L C 3.454 180.277 176.870 -0.078 0.000 1.072 291 L CA 1.504 56.301 54.840 -0.072 0.000 0.758 291 L CB -0.622 41.402 42.059 -0.058 0.000 0.889 291 L HN 0.301 nan 8.230 nan 0.000 0.433 292 A N -0.276 122.502 122.820 -0.070 0.000 1.986 292 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 292 A C 2.485 180.009 177.584 -0.100 0.000 1.171 292 A CA 2.011 54.005 52.037 -0.070 0.000 0.640 292 A CB -0.771 18.185 19.000 -0.073 0.000 0.811 292 A HN 0.462 nan 8.150 nan 0.000 0.451 293 A N -0.301 122.455 122.820 -0.106 0.000 1.872 293 A HA 0.261 4.580 4.320 -0.000 0.000 0.214 293 A C 2.530 180.020 177.584 -0.156 0.000 1.187 293 A CA 1.854 53.815 52.037 -0.127 0.000 0.614 293 A CB -1.127 17.808 19.000 -0.109 0.000 0.826 293 A HN 1.053 nan 8.150 nan 0.000 0.442 294 A N 0.032 122.769 122.820 -0.137 0.000 1.849 294 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 294 A C 2.241 179.722 177.584 -0.171 0.000 1.202 294 A CA 1.806 53.757 52.037 -0.144 0.000 0.629 294 A CB -0.705 18.224 19.000 -0.120 0.000 0.834 294 A HN 0.486 nan 8.150 nan 0.000 0.447 295 R N -1.144 119.261 120.500 -0.157 0.000 2.134 295 R HA -0.220 4.120 4.340 -0.000 0.000 0.248 295 R C 2.413 178.553 176.300 -0.266 0.000 1.143 295 R CA 1.920 57.913 56.100 -0.178 0.000 0.957 295 R CB -0.498 29.719 30.300 -0.138 0.000 0.867 295 R HN 0.594 nan 8.270 nan 0.000 0.441 296 Q N 0.400 120.003 119.800 -0.328 0.000 2.050 296 Q HA -0.094 4.245 4.340 -0.000 0.000 0.202 296 Q C 2.340 177.771 176.000 -0.949 0.000 0.980 296 Q CA 1.347 56.760 55.803 -0.649 0.000 0.840 296 Q CB -0.350 28.060 28.738 -0.547 0.000 0.898 296 Q HN 0.404 nan 8.270 nan 0.000 0.424 297 L N 0.282 121.208 121.223 -0.495 0.000 2.005 297 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 297 L C 2.728 179.494 176.870 -0.173 0.000 1.072 297 L CA 1.420 56.100 54.840 -0.268 0.000 0.744 297 L CB -0.597 41.377 42.059 -0.141 0.000 0.895 297 L HN 0.300 nan 8.230 nan 0.000 0.433 298 Q N 0.300 119.999 119.800 -0.170 0.000 2.045 298 Q HA -0.305 4.035 4.340 -0.000 0.000 0.206 298 Q C 2.310 178.252 176.000 -0.096 0.000 0.991 298 Q CA 2.712 58.450 55.803 -0.109 0.000 0.851 298 Q CB -0.251 28.420 28.738 -0.111 0.000 0.911 298 Q HN 0.431 nan 8.270 nan 0.000 0.418 299 S N -0.683 114.908 115.700 -0.182 0.000 2.420 299 S HA -0.148 4.322 4.470 -0.000 0.000 0.237 299 S C 1.147 175.770 174.600 0.037 0.000 1.023 299 S CA 1.084 59.210 58.200 -0.123 0.000 0.991 299 S CB -0.426 62.660 63.200 -0.190 0.000 0.792 299 S HN 0.504 nan 8.310 nan 0.000 0.488 300 F N 2.114 122.065 119.950 0.002 0.000 2.692 300 F HA 0.439 4.966 4.527 -0.000 0.000 0.303 300 F C 1.703 177.506 175.800 0.006 0.000 1.114 300 F CA -1.096 56.906 58.000 0.004 0.000 1.361 300 F CB -0.873 38.119 39.000 -0.014 0.000 1.063 300 F HN 0.310 nan 8.300 nan 0.000 0.550 301 G N 1.754 110.648 108.800 0.157 0.000 2.363 301 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.286 301 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.286 301 G C -0.141 174.803 174.900 0.073 0.000 0.975 301 G CA 0.051 45.204 45.100 0.088 0.000 1.309 301 G HN 0.287 nan 8.290 nan 0.000 0.491 302 M N -0.005 119.620 119.600 0.042 0.000 2.690 302 M HA 0.360 4.839 4.480 -0.000 0.000 0.302 302 M C -0.601 175.689 176.300 -0.018 0.000 1.234 302 M CA -0.973 54.335 55.300 0.013 0.000 0.853 302 M CB 1.826 34.428 32.600 0.003 0.000 1.748 302 M HN 0.188 nan 8.290 nan 0.000 0.469 303 D N 1.907 122.290 120.400 -0.028 0.000 2.339 303 D HA 0.396 5.035 4.640 -0.000 0.000 0.241 303 D C -1.494 174.773 176.300 -0.055 0.000 1.183 303 D CA -0.004 53.977 54.000 -0.032 0.000 0.859 303 D CB 0.842 41.631 40.800 -0.018 0.000 1.067 303 D HN 0.208 nan 8.370 nan 0.000 0.484 304 V N 3.412 123.289 119.914 -0.060 0.000 2.555 304 V HA 0.493 4.613 4.120 -0.000 0.000 0.302 304 V C 0.344 176.393 176.094 -0.076 0.000 1.038 304 V CA -0.595 61.656 62.300 -0.081 0.000 0.887 304 V CB 2.137 33.901 31.823 -0.099 0.000 0.991 304 V HN 0.528 nan 8.190 nan 0.000 0.434 305 T N 5.512 120.011 114.554 -0.093 0.000 2.921 305 T HA 0.673 5.023 4.350 -0.000 0.000 0.297 305 T C -0.779 173.821 174.700 -0.167 0.000 1.013 305 T CA -0.353 61.680 62.100 -0.113 0.000 0.990 305 T CB 1.313 70.130 68.868 -0.085 0.000 1.023 305 T HN 0.314 nan 8.240 nan 0.000 0.447 306 L N 3.330 124.453 121.223 -0.166 0.000 2.322 306 L HA 0.624 4.964 4.340 -0.000 0.000 0.279 306 L C -0.487 176.243 176.870 -0.233 0.000 1.036 306 L CA -0.578 54.154 54.840 -0.181 0.000 0.807 306 L CB 1.039 43.014 42.059 -0.140 0.000 1.226 306 L HN 0.430 nan 8.230 nan 0.000 0.433 307 L N 2.592 123.663 121.223 -0.254 0.000 2.345 307 L HA 0.484 4.824 4.340 -0.000 0.000 0.274 307 L C -0.555 176.166 176.870 -0.249 0.000 0.999 307 L CA -0.518 54.144 54.840 -0.297 0.000 0.849 307 L CB 1.562 43.401 42.059 -0.367 0.000 1.220 307 L HN 0.502 nan 8.230 nan 0.000 0.422 308 E N 1.736 121.789 120.200 -0.246 0.000 2.166 308 E HA 0.518 4.868 4.350 -0.000 0.000 0.275 308 E C 0.338 176.731 176.600 -0.345 0.000 0.941 308 E CA -0.166 56.083 56.400 -0.251 0.000 0.784 308 E CB 2.125 31.712 29.700 -0.189 0.000 1.115 308 E HN 0.557 nan 8.360 nan 0.000 0.399 309 A N 5.421 127.935 122.820 -0.510 0.000 1.930 309 A HA 0.071 4.391 4.320 -0.000 0.000 0.215 309 A C 1.008 178.159 177.584 -0.721 0.000 1.176 309 A CA 0.631 52.165 52.037 -0.839 0.000 0.632 309 A CB -0.101 17.900 19.000 -1.666 0.000 0.819 309 A HN 0.585 nan 8.150 nan 0.000 0.445 310 R N 0.682 120.847 120.500 -0.559 0.000 2.822 310 R HA 0.151 4.491 4.340 -0.000 0.000 0.277 310 R C -0.245 175.965 176.300 -0.151 0.000 1.102 310 R CA 0.362 56.309 56.100 -0.254 0.000 1.207 310 R CB 0.131 30.370 30.300 -0.101 0.000 1.139 310 R HN 0.490 nan 8.270 nan 0.000 0.557 311 D N 0.667 121.031 120.400 -0.059 0.000 2.460 311 D HA 0.029 4.669 4.640 -0.000 0.000 0.229 311 D C -0.207 176.076 176.300 -0.029 0.000 1.170 311 D CA -0.161 53.813 54.000 -0.043 0.000 0.827 311 D CB -0.030 40.761 40.800 -0.013 0.000 0.973 311 D HN 0.445 nan 8.370 nan 0.000 0.496 312 R N -1.629 118.852 120.500 -0.031 0.000 2.716 312 R HA 0.532 4.872 4.340 -0.000 0.000 0.271 312 R C -0.577 175.708 176.300 -0.025 0.000 1.028 312 R CA -1.127 54.962 56.100 -0.017 0.000 0.883 312 R CB 0.800 31.108 30.300 0.012 0.000 1.250 312 R HN -0.143 nan 8.270 nan 0.000 0.465 313 V N -0.982 118.920 119.914 -0.021 0.000 3.133 313 V HA 0.702 4.822 4.120 -0.000 0.000 0.305 313 V C 1.213 177.308 176.094 0.001 0.000 1.084 313 V CA 0.434 62.720 62.300 -0.023 0.000 1.089 313 V CB 0.661 32.467 31.823 -0.028 0.000 1.073 313 V HN 1.212 nan 8.190 nan 0.000 0.477 314 G N -0.279 108.517 108.800 -0.006 0.000 2.213 314 G HA2 0.073 4.033 3.960 -0.000 0.000 0.226 314 G HA3 0.073 4.033 3.960 -0.000 0.000 0.226 314 G C 1.411 176.324 174.900 0.022 0.000 0.992 314 G CA 0.624 45.722 45.100 -0.004 0.000 0.632 314 G HN 2.534 nan 8.290 nan 0.000 0.511 315 G N 0.409 109.247 108.800 0.063 0.000 2.665 315 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.326 315 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.326 315 G C 0.954 175.956 174.900 0.170 0.000 1.231 315 G CA 1.450 46.620 45.100 0.117 0.000 0.992 315 G HN 1.161 nan 8.290 nan 0.000 0.549 316 R N -0.161 120.380 120.500 0.068 0.000 2.323 316 R HA 0.272 4.612 4.340 -0.000 0.000 0.198 316 R C 0.415 176.685 176.300 -0.049 0.000 0.988 316 R CA 0.277 56.332 56.100 -0.076 0.000 1.041 316 R CB 0.051 30.218 30.300 -0.221 0.000 0.926 316 R HN 0.192 nan 8.270 nan 0.000 0.476 317 V N 1.762 121.671 119.914 -0.007 0.000 2.284 317 V HA 0.340 4.460 4.120 -0.000 0.000 0.260 317 V C -0.015 176.143 176.094 0.107 0.000 1.084 317 V CA -0.477 61.809 62.300 -0.024 0.000 0.894 317 V CB 0.782 32.501 31.823 -0.174 0.000 1.119 317 V HN 0.157 nan 8.190 nan 0.000 0.484 318 A N 3.751 126.703 122.820 0.219 0.000 2.340 318 A HA 0.917 5.237 4.320 -0.000 0.000 0.331 318 A C -0.027 177.683 177.584 0.211 0.000 1.140 318 A CA -0.509 51.670 52.037 0.238 0.000 0.801 318 A CB 1.550 20.750 19.000 0.333 0.000 1.234 318 A HN 0.555 nan 8.150 nan 0.000 0.469 319 T N 1.841 116.497 114.554 0.169 0.000 3.050 319 T HA 0.366 4.716 4.350 -0.000 0.000 0.310 319 T C -1.036 173.750 174.700 0.142 0.000 0.978 319 T CA -0.139 62.052 62.100 0.152 0.000 1.013 319 T CB 0.325 69.261 68.868 0.114 0.000 1.000 319 T HN 0.534 nan 8.240 nan 0.000 0.447 320 F N 4.568 124.521 119.950 0.006 0.000 2.467 320 F HA 0.575 5.102 4.527 -0.000 0.000 0.362 320 F C 0.341 176.128 175.800 -0.022 0.000 1.090 320 F CA -0.427 57.563 58.000 -0.016 0.000 1.202 320 F CB 0.359 39.337 39.000 -0.037 0.000 1.113 320 F HN 0.386 nan 8.300 nan 0.000 0.541 321 R N 5.393 125.438 120.500 -0.758 0.000 2.621 321 R HA 0.569 4.909 4.340 -0.000 0.000 0.284 321 R C -1.433 174.425 176.300 -0.736 0.000 0.998 321 R CA -1.273 54.447 56.100 -0.633 0.000 0.895 321 R CB 2.392 32.527 30.300 -0.275 0.000 1.195 321 R HN 0.687 nan 8.270 nan 0.000 0.450 322 K N 0.991 121.080 120.400 -0.519 0.000 2.594 322 K HA 0.236 4.556 4.320 -0.000 0.000 0.262 322 K C 0.021 176.537 176.600 -0.140 0.000 0.954 322 K CA 0.353 56.474 56.287 -0.278 0.000 0.917 322 K CB 1.427 33.786 32.500 -0.236 0.000 1.343 322 K HN 0.723 nan 8.250 nan 0.000 0.428 323 G N 3.390 112.119 108.800 -0.118 0.000 2.672 323 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.324 323 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.324 323 G C 0.250 175.032 174.900 -0.197 0.000 1.286 323 G CA 0.708 45.714 45.100 -0.155 0.000 1.004 323 G HN 0.734 nan 8.290 nan 0.000 0.548 324 N N 0.197 118.709 118.700 -0.313 0.000 2.236 324 N HA 0.132 4.872 4.740 -0.000 0.000 0.196 324 N C -0.163 175.220 175.510 -0.213 0.000 1.114 324 N CA 0.182 53.082 53.050 -0.250 0.000 0.859 324 N CB 0.449 38.789 38.487 -0.245 0.000 0.982 324 N HN 0.419 nan 8.380 nan 0.000 0.493 325 Y N 1.046 121.291 120.300 -0.091 0.000 2.442 325 Y HA 0.230 4.780 4.550 -0.000 0.000 0.330 325 Y C 0.559 176.322 175.900 -0.229 0.000 1.129 325 Y CA -0.522 57.514 58.100 -0.108 0.000 1.365 325 Y CB 0.823 39.268 38.460 -0.025 0.000 1.233 325 Y HN -0.303 nan 8.280 nan 0.000 0.529 326 V N 2.992 122.864 119.914 -0.071 0.000 2.559 326 V HA 0.762 4.882 4.120 -0.000 0.000 0.289 326 V C -0.746 175.056 176.094 -0.486 0.000 1.036 326 V CA -0.875 61.288 62.300 -0.229 0.000 0.887 326 V CB 1.353 33.064 31.823 -0.186 0.000 1.022 326 V HN 0.856 nan 8.190 nan 0.000 0.442 327 A N 3.585 126.267 122.820 -0.231 0.000 2.488 327 A HA 0.766 5.086 4.320 -0.000 0.000 0.298 327 A C -1.060 176.573 177.584 0.081 0.000 1.044 327 A CA -0.737 51.152 52.037 -0.248 0.000 0.693 327 A CB 1.314 20.270 19.000 -0.073 0.000 1.272 327 A HN 0.671 nan 8.150 nan 0.000 0.402 328 D N 2.315 122.824 120.400 0.182 0.000 2.308 328 D HA 0.285 4.925 4.640 -0.000 0.000 0.251 328 D C 0.551 176.966 176.300 0.191 0.000 1.127 328 D CA -0.122 54.001 54.000 0.206 0.000 0.876 328 D CB 1.833 42.778 40.800 0.242 0.000 1.176 328 D HN 0.432 nan 8.370 nan 0.000 0.446 329 L N 1.450 122.807 121.223 0.223 0.000 2.591 329 L HA 0.157 4.497 4.340 -0.000 0.000 0.228 329 L C 1.490 178.651 176.870 0.486 0.000 1.133 329 L CA 0.247 55.241 54.840 0.257 0.000 0.880 329 L CB 0.191 42.347 42.059 0.162 0.000 1.033 329 L HN 0.436 nan 8.230 nan 0.000 0.450 330 G N -0.994 108.037 108.800 0.385 0.000 3.286 330 G HA2 0.615 4.575 3.960 -0.000 0.000 0.166 330 G HA3 0.615 4.575 3.960 -0.000 0.000 0.166 330 G C -0.474 174.502 174.900 0.127 0.000 1.155 330 G CA 0.039 45.289 45.100 0.251 0.000 0.871 330 G HN 0.095 nan 8.290 nan 0.000 0.637 331 A N -0.575 122.280 122.820 0.058 0.000 2.555 331 A HA 0.467 4.787 4.320 -0.000 0.000 0.233 331 A C 0.727 178.504 177.584 0.322 0.000 1.060 331 A CA 1.339 53.449 52.037 0.122 0.000 0.759 331 A CB 0.321 19.327 19.000 0.009 0.000 0.995 331 A HN 0.997 nan 8.150 nan 0.000 0.506 332 M N 1.204 120.969 119.600 0.274 0.000 1.848 332 M HA 0.201 4.681 4.480 -0.000 0.000 0.328 332 M C -1.213 175.078 176.300 -0.015 0.000 0.897 332 M CA 0.423 55.795 55.300 0.120 0.000 1.130 332 M CB 0.671 33.251 32.600 -0.034 0.000 2.171 332 M HN 0.403 nan 8.290 nan 0.000 0.762 333 V N 2.082 122.013 119.914 0.028 0.000 2.555 333 V HA 0.475 4.595 4.120 -0.000 0.000 0.302 333 V C -0.343 175.767 176.094 0.026 0.000 1.038 333 V CA -0.874 61.432 62.300 0.011 0.000 0.887 333 V CB 1.782 33.656 31.823 0.084 0.000 0.991 333 V HN 0.014 nan 8.190 nan 0.000 0.434 334 V N 3.419 123.323 119.914 -0.017 0.000 2.385 334 V HA 0.236 4.356 4.120 -0.000 0.000 0.269 334 V C 1.019 177.100 176.094 -0.022 0.000 1.043 334 V CA -0.055 62.267 62.300 0.036 0.000 0.906 334 V CB 1.503 33.331 31.823 0.008 0.000 0.995 334 V HN 1.060 nan 8.190 nan 0.000 0.467 335 T N 1.453 115.980 114.554 -0.044 0.000 3.843 335 T HA 0.534 4.884 4.350 -0.000 0.000 0.227 335 T C 0.511 175.138 174.700 -0.122 0.000 1.043 335 T CA 0.238 62.062 62.100 -0.461 0.000 1.012 335 T CB -0.622 67.999 68.868 -0.411 0.000 1.279 335 T HN 1.688 nan 8.240 nan 0.000 0.730 336 G N 1.135 109.966 108.800 0.052 0.000 3.055 336 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 336 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 336 G C 0.028 175.010 174.900 0.137 0.000 1.087 336 G CA -0.563 44.660 45.100 0.206 0.000 0.779 336 G HN 0.507 nan 8.290 nan 0.000 0.599 337 L N 1.281 122.538 121.223 0.056 0.000 2.591 337 L HA 0.244 4.584 4.340 -0.000 0.000 0.228 337 L C 2.124 178.907 176.870 -0.145 0.000 1.133 337 L CA 0.720 55.519 54.840 -0.068 0.000 0.880 337 L CB 0.085 42.129 42.059 -0.025 0.000 1.033 337 L HN 0.766 nan 8.230 nan 0.000 0.450 338 G N 0.285 109.067 108.800 -0.029 0.000 3.008 338 G HA2 0.384 4.344 3.960 -0.000 0.000 0.272 338 G HA3 0.384 4.344 3.960 -0.000 0.000 0.272 338 G C 0.926 175.662 174.900 -0.273 0.000 0.764 338 G CA 0.505 45.634 45.100 0.048 0.000 2.029 338 G HN 0.403 nan 8.290 nan 0.000 0.587 339 G N 0.767 109.217 108.800 -0.583 0.000 2.151 339 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.140 339 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.140 339 G C 0.017 174.238 174.900 -1.132 0.000 1.020 339 G CA -0.336 44.291 45.100 -0.787 0.000 0.688 339 G HN 0.734 nan 8.290 nan 0.000 0.500 340 N N 1.215 119.204 118.700 -1.185 0.000 2.457 340 N HA 0.425 5.165 4.740 -0.000 0.000 0.250 340 N C -0.402 174.832 175.510 -0.460 0.000 0.982 340 N CA -2.036 50.245 53.050 -1.280 0.000 0.941 340 N CB 2.200 40.055 38.487 -1.054 0.000 1.120 340 N HN 0.011 nan 8.380 nan 0.000 0.505 341 P HA -0.219 nan 4.420 nan 0.000 0.218 341 P C 1.441 178.775 177.300 0.056 0.000 1.152 341 P CA 1.302 64.365 63.100 -0.062 0.000 0.857 341 P CB 0.264 31.861 31.700 -0.172 0.000 0.787 342 M N -0.645 118.969 119.600 0.023 0.000 2.202 342 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 342 M C 2.317 178.649 176.300 0.054 0.000 1.063 342 M CA 1.439 56.797 55.300 0.097 0.000 1.097 342 M CB -2.060 30.632 32.600 0.153 0.000 1.382 342 M HN -0.066 nan 8.290 nan 0.000 0.413 343 A N 0.132 122.935 122.820 -0.028 0.000 1.903 343 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 343 A C 2.499 180.069 177.584 -0.023 0.000 1.191 343 A CA 2.305 54.314 52.037 -0.045 0.000 0.638 343 A CB -1.122 17.814 19.000 -0.107 0.000 0.823 343 A HN 0.300 nan 8.150 nan 0.000 0.451 344 V N -0.355 119.564 119.914 0.009 0.000 2.295 344 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 344 V C 2.590 178.699 176.094 0.025 0.000 1.049 344 V CA 2.041 64.329 62.300 -0.020 0.000 1.024 344 V CB -0.785 31.074 31.823 0.060 0.000 0.648 344 V HN 0.397 nan 8.190 nan 0.000 0.447 345 V N 1.111 121.110 119.914 0.141 0.000 2.469 345 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 345 V C 2.561 178.702 176.094 0.077 0.000 1.064 345 V CA 2.270 64.657 62.300 0.145 0.000 1.066 345 V CB -0.930 31.007 31.823 0.191 0.000 0.667 345 V HN 0.773 nan 8.190 nan 0.000 0.461 346 S N -0.408 115.322 115.700 0.050 0.000 2.461 346 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 346 S C 1.794 176.393 174.600 -0.000 0.000 1.005 346 S CA 0.706 58.922 58.200 0.027 0.000 0.942 346 S CB -0.312 62.897 63.200 0.015 0.000 0.776 346 S HN 0.618 nan 8.310 nan 0.000 0.514 347 K N 1.054 121.437 120.400 -0.027 0.000 2.366 347 K HA 0.082 4.402 4.320 -0.000 0.000 0.198 347 K C 2.133 178.706 176.600 -0.044 0.000 1.044 347 K CA 0.839 57.093 56.287 -0.054 0.000 0.973 347 K CB -0.041 32.395 32.500 -0.107 0.000 0.767 347 K HN 0.570 nan 8.250 nan 0.000 0.475 348 Q N -0.121 119.668 119.800 -0.018 0.000 2.376 348 Q HA 0.081 4.421 4.340 -0.000 0.000 0.206 348 Q C -0.103 175.910 176.000 0.022 0.000 0.921 348 Q CA 0.418 56.225 55.803 0.006 0.000 0.911 348 Q CB 0.935 29.698 28.738 0.042 0.000 1.032 348 Q HN -0.037 nan 8.270 nan 0.000 0.510 349 V N 2.062 121.992 119.914 0.028 0.000 2.623 349 V HA 0.118 4.238 4.120 -0.000 0.000 0.304 349 V C -0.842 175.270 176.094 0.029 0.000 1.054 349 V CA -1.081 61.240 62.300 0.035 0.000 0.882 349 V CB 1.743 33.600 31.823 0.056 0.000 1.002 349 V HN 0.163 nan 8.190 nan 0.000 0.424 350 N N 5.440 124.154 118.700 0.023 0.000 2.605 350 N HA 0.218 4.958 4.740 -0.000 0.000 0.282 350 N C -0.201 175.326 175.510 0.028 0.000 1.206 350 N CA 0.122 53.184 53.050 0.020 0.000 1.074 350 N CB -0.055 38.441 38.487 0.016 0.000 1.434 350 N HN 0.637 nan 8.380 nan 0.000 0.506 351 M N 0.461 120.078 119.600 0.027 0.000 2.274 351 M HA 0.240 4.720 4.480 -0.000 0.000 0.344 351 M C 0.314 176.623 176.300 0.015 0.000 1.161 351 M CA -0.307 55.006 55.300 0.022 0.000 1.126 351 M CB 1.100 33.702 32.600 0.003 0.000 1.522 351 M HN 0.264 nan 8.290 nan 0.000 0.461 352 E N 2.404 122.617 120.200 0.021 0.000 2.046 352 E HA 0.343 4.693 4.350 -0.000 0.000 0.279 352 E C -1.386 175.224 176.600 0.017 0.000 0.989 352 E CA -0.241 56.175 56.400 0.026 0.000 0.798 352 E CB 0.699 30.426 29.700 0.046 0.000 1.086 352 E HN 0.559 nan 8.360 nan 0.000 0.399 353 L N 3.556 124.785 121.223 0.010 0.000 2.261 353 L HA 0.471 4.811 4.340 -0.000 0.000 0.289 353 L C -0.115 176.769 176.870 0.022 0.000 1.059 353 L CA -0.532 54.311 54.840 0.005 0.000 0.816 353 L CB 1.060 43.118 42.059 -0.000 0.000 1.191 353 L HN 0.501 nan 8.230 nan 0.000 0.431 354 A N 5.043 127.879 122.820 0.026 0.000 2.318 354 A HA 0.563 4.883 4.320 -0.000 0.000 0.324 354 A C -0.311 177.305 177.584 0.053 0.000 1.170 354 A CA -0.791 51.270 52.037 0.040 0.000 0.810 354 A CB 0.888 19.912 19.000 0.040 0.000 1.198 354 A HN 0.687 nan 8.150 nan 0.000 0.484 355 K N 1.444 121.882 120.400 0.063 0.000 2.258 355 K HA 0.407 4.727 4.320 -0.000 0.000 0.264 355 K C -0.881 175.775 176.600 0.093 0.000 1.007 355 K CA 0.193 56.531 56.287 0.084 0.000 0.941 355 K CB 0.853 33.400 32.500 0.078 0.000 0.966 355 K HN 0.584 nan 8.250 nan 0.000 0.480 356 I N 2.406 123.048 120.570 0.120 0.000 2.339 356 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 356 I C -0.141 176.029 176.117 0.088 0.000 0.994 356 I CA -0.671 60.701 61.300 0.121 0.000 1.191 356 I CB 1.282 39.393 38.000 0.186 0.000 1.343 356 I HN 0.355 nan 8.210 nan 0.000 0.458 357 K N 6.376 126.816 120.400 0.067 0.000 2.339 357 K HA 0.112 4.432 4.320 -0.000 0.000 0.286 357 K C 0.741 177.360 176.600 0.033 0.000 1.050 357 K CA -0.475 55.843 56.287 0.051 0.000 0.956 357 K CB 0.861 33.392 32.500 0.052 0.000 0.990 357 K HN 0.513 nan 8.250 nan 0.000 0.475 358 Q N 1.682 121.499 119.800 0.028 0.000 2.297 358 Q HA -0.146 4.194 4.340 -0.000 0.000 0.208 358 Q C 0.265 176.270 176.000 0.009 0.000 0.981 358 Q CA 1.077 56.889 55.803 0.016 0.000 0.876 358 Q CB -0.021 28.730 28.738 0.022 0.000 0.921 358 Q HN 0.430 nan 8.270 nan 0.000 0.446 359 K N 0.748 121.157 120.400 0.015 0.000 2.412 359 K HA 0.033 4.353 4.320 -0.000 0.000 0.284 359 K C -1.069 175.536 176.600 0.008 0.000 1.046 359 K CA 0.024 56.320 56.287 0.014 0.000 0.999 359 K CB 0.445 32.958 32.500 0.022 0.000 0.941 359 K HN 0.046 nan 8.250 nan 0.000 0.474 360 C N 8.678 127.974 119.300 -0.007 0.000 2.653 360 C HA 0.416 4.876 4.460 -0.000 0.000 0.291 360 C C -2.525 172.425 174.990 -0.067 0.000 1.064 360 C CA -2.160 56.848 59.018 -0.016 0.000 1.469 360 C CB 0.158 27.887 27.740 -0.019 0.000 1.861 360 C HN 0.686 nan 8.230 nan 0.000 0.434 361 P HA 0.215 nan 4.420 nan 0.000 0.271 361 P C -0.567 176.663 177.300 -0.116 0.000 1.233 361 P CA 0.453 63.494 63.100 -0.099 0.000 0.764 361 P CB 0.601 32.290 31.700 -0.018 0.000 0.825 362 L N 3.993 124.989 121.223 -0.378 0.000 2.421 362 L HA 0.383 4.723 4.340 -0.000 0.000 0.263 362 L C -0.099 176.512 176.870 -0.432 0.000 1.122 362 L CA -0.646 53.951 54.840 -0.405 0.000 0.804 362 L CB 0.248 41.909 42.059 -0.665 0.000 1.150 362 L HN 0.338 nan 8.230 nan 0.000 0.457 363 Y N 0.035 120.194 120.300 -0.235 0.000 2.344 363 Y HA 0.242 4.792 4.550 -0.000 0.000 0.328 363 Y C 0.135 175.915 175.900 -0.201 0.000 1.067 363 Y CA -0.757 57.226 58.100 -0.195 0.000 1.247 363 Y CB 1.175 39.531 38.460 -0.173 0.000 1.113 363 Y HN 0.563 nan 8.280 nan 0.000 0.465 364 E N 1.048 121.188 120.200 -0.100 0.000 2.504 364 E HA 0.022 4.372 4.350 -0.000 0.000 0.266 364 E C 1.084 177.613 176.600 -0.118 0.000 1.239 364 E CA 0.640 56.969 56.400 -0.118 0.000 1.064 364 E CB 0.641 30.284 29.700 -0.096 0.000 0.996 364 E HN 0.818 nan 8.360 nan 0.000 0.479 365 A N 2.174 124.922 122.820 -0.119 0.000 1.892 365 A HA -0.340 3.980 4.320 -0.000 0.000 0.218 365 A C 1.798 179.382 177.584 0.000 0.000 1.188 365 A CA 2.498 54.494 52.037 -0.069 0.000 0.631 365 A CB -1.147 17.845 19.000 -0.014 0.000 0.822 365 A HN 0.815 nan 8.150 nan 0.000 0.447 366 N N -0.904 117.791 118.700 -0.009 0.000 2.132 366 N HA 0.104 4.844 4.740 -0.000 0.000 0.191 366 N C 1.086 176.600 175.510 0.006 0.000 1.015 366 N CA 2.584 55.634 53.050 -0.000 0.000 0.864 366 N CB -0.642 37.836 38.487 -0.015 0.000 1.006 366 N HN 1.198 nan 8.380 nan 0.000 0.430 367 G N -1.762 107.043 108.800 0.008 0.000 2.157 367 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.118 367 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.118 367 G C -0.724 174.193 174.900 0.028 0.000 1.032 367 G CA -0.055 45.053 45.100 0.014 0.000 0.697 367 G HN 0.588 nan 8.290 nan 0.000 0.495 368 Q N -0.640 119.171 119.800 0.018 0.000 2.389 368 Q HA 0.719 5.059 4.340 -0.000 0.000 0.277 368 Q C 0.316 176.216 176.000 -0.167 0.000 1.082 368 Q CA -0.291 55.493 55.803 -0.031 0.000 0.810 368 Q CB 2.164 30.864 28.738 -0.063 0.000 1.374 368 Q HN 1.070 nan 8.270 nan 0.000 0.422 369 A N 1.435 124.045 122.820 -0.350 0.000 2.587 369 A HA 0.124 4.444 4.320 -0.000 0.000 0.235 369 A C -0.043 177.335 177.584 -0.342 0.000 1.044 369 A CA -0.041 51.654 52.037 -0.571 0.000 0.754 369 A CB -0.010 18.668 19.000 -0.537 0.000 0.968 369 A HN 0.485 nan 8.150 nan 0.000 0.509 370 V N 5.806 125.510 119.914 -0.349 0.000 2.572 370 V HA 0.205 4.325 4.120 -0.000 0.000 0.291 370 V C -1.809 174.150 176.094 -0.226 0.000 1.039 370 V CA -0.730 61.425 62.300 -0.242 0.000 1.055 370 V CB 0.579 32.261 31.823 -0.234 0.000 0.969 370 V HN 0.842 nan 8.190 nan 0.000 0.482 371 P HA 0.303 nan 4.420 nan 0.000 0.284 371 P C 0.660 177.889 177.300 -0.117 0.000 1.253 371 P CA -0.719 62.298 63.100 -0.138 0.000 0.800 371 P CB 0.687 32.322 31.700 -0.108 0.000 0.961 372 K N 1.274 121.611 120.400 -0.105 0.000 2.127 372 K HA -0.267 4.052 4.320 -0.000 0.000 0.212 372 K C 1.557 178.114 176.600 -0.071 0.000 1.050 372 K CA 1.499 57.734 56.287 -0.085 0.000 0.929 372 K CB -0.323 32.136 32.500 -0.068 0.000 0.715 372 K HN 0.517 nan 8.250 nan 0.000 0.457 373 E N 1.187 121.347 120.200 -0.067 0.000 2.048 373 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 373 E C 2.068 178.630 176.600 -0.063 0.000 1.021 373 E CA 1.555 57.920 56.400 -0.059 0.000 0.825 373 E CB -0.006 29.660 29.700 -0.057 0.000 0.756 373 E HN 0.298 nan 8.360 nan 0.000 0.454 374 K N 0.154 120.510 120.400 -0.074 0.000 2.021 374 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 374 K C 1.985 178.538 176.600 -0.077 0.000 1.047 374 K CA 0.857 57.098 56.287 -0.077 0.000 0.943 374 K CB -0.319 32.131 32.500 -0.083 0.000 0.725 374 K HN 0.065 nan 8.250 nan 0.000 0.439 375 D N 1.414 121.759 120.400 -0.092 0.000 2.248 375 D HA -0.248 4.392 4.640 -0.000 0.000 0.189 375 D C 1.564 177.832 176.300 -0.054 0.000 1.011 375 D CA 1.792 55.739 54.000 -0.087 0.000 0.868 375 D CB 0.091 40.821 40.800 -0.116 0.000 0.931 375 D HN 0.268 nan 8.370 nan 0.000 0.449 376 E N -0.703 119.465 120.200 -0.053 0.000 2.107 376 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 376 E C 2.093 178.667 176.600 -0.045 0.000 0.982 376 E CA 0.458 56.835 56.400 -0.039 0.000 0.809 376 E CB -0.131 29.549 29.700 -0.033 0.000 0.756 376 E HN 0.352 nan 8.360 nan 0.000 0.459 377 M N 0.803 120.370 119.600 -0.055 0.000 2.132 377 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 377 M C 1.989 178.246 176.300 -0.072 0.000 1.065 377 M CA 1.384 56.649 55.300 -0.059 0.000 1.122 377 M CB 0.043 32.604 32.600 -0.065 0.000 1.365 377 M HN 0.035 nan 8.290 nan 0.000 0.411 378 V N 0.526 120.387 119.914 -0.088 0.000 2.244 378 V HA -0.258 3.862 4.120 -0.000 0.000 0.244 378 V C 2.258 178.238 176.094 -0.189 0.000 1.042 378 V CA 2.306 64.536 62.300 -0.116 0.000 1.006 378 V CB -1.381 30.386 31.823 -0.093 0.000 0.641 378 V HN 0.560 nan 8.190 nan 0.000 0.446 379 E N 0.257 120.285 120.200 -0.286 0.000 2.065 379 E HA -0.355 3.995 4.350 -0.000 0.000 0.201 379 E C 2.373 178.935 176.600 -0.062 0.000 1.016 379 E CA 2.195 58.367 56.400 -0.380 0.000 0.818 379 E CB -0.327 29.294 29.700 -0.132 0.000 0.749 379 E HN 0.619 nan 8.360 nan 0.000 0.453 380 Q N -0.245 119.536 119.800 -0.032 0.000 2.170 380 Q HA -0.239 4.101 4.340 -0.000 0.000 0.203 380 Q C 1.899 177.904 176.000 0.009 0.000 0.976 380 Q CA 1.712 57.518 55.803 0.004 0.000 0.858 380 Q CB 0.029 28.763 28.738 -0.007 0.000 0.907 380 Q HN 0.220 nan 8.270 nan 0.000 0.433 381 E N -0.080 120.121 120.200 0.001 0.000 2.028 381 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 381 E C 1.565 178.205 176.600 0.068 0.000 0.984 381 E CA 0.910 57.328 56.400 0.031 0.000 0.800 381 E CB -0.607 29.096 29.700 0.005 0.000 0.758 381 E HN 0.339 nan 8.360 nan 0.000 0.448 382 F N 1.879 121.762 119.950 -0.111 0.000 2.045 382 F HA -0.365 4.162 4.527 -0.000 0.000 0.297 382 F C 1.801 177.604 175.800 0.005 0.000 1.114 382 F CA 2.298 60.234 58.000 -0.106 0.000 1.207 382 F CB -0.719 38.107 39.000 -0.289 0.000 0.964 382 F HN 0.088 nan 8.300 nan 0.000 0.486 383 N N 0.515 119.120 118.700 -0.159 0.000 2.149 383 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 383 N C 1.957 177.379 175.510 -0.148 0.000 1.019 383 N CA 1.800 54.721 53.050 -0.215 0.000 0.857 383 N CB -0.425 38.054 38.487 -0.012 0.000 0.997 383 N HN 0.449 nan 8.380 nan 0.000 0.426 384 R N 0.472 120.931 120.500 -0.069 0.000 2.090 384 R HA 0.115 4.455 4.340 -0.000 0.000 0.228 384 R C 2.388 178.670 176.300 -0.029 0.000 1.110 384 R CA 0.436 56.516 56.100 -0.033 0.000 0.973 384 R CB -0.285 30.012 30.300 -0.004 0.000 0.869 384 R HN 0.165 nan 8.270 nan 0.000 0.440 385 L N 0.571 121.782 121.223 -0.020 0.000 2.042 385 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 385 L C 2.306 179.166 176.870 -0.018 0.000 1.076 385 L CA 1.307 56.158 54.840 0.019 0.000 0.749 385 L CB -0.370 41.759 42.059 0.117 0.000 0.893 385 L HN 0.242 nan 8.230 nan 0.000 0.432 386 L N -0.518 120.629 121.223 -0.126 0.000 1.961 386 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 386 L C 2.545 179.437 176.870 0.036 0.000 1.072 386 L CA 1.473 56.269 54.840 -0.073 0.000 0.749 386 L CB -0.422 41.533 42.059 -0.173 0.000 0.889 386 L HN 0.243 nan 8.230 nan 0.000 0.432 387 E N -0.345 119.868 120.200 0.022 0.000 2.136 387 E HA -0.340 4.010 4.350 -0.000 0.000 0.202 387 E C 2.126 178.786 176.600 0.100 0.000 1.019 387 E CA 1.486 57.926 56.400 0.067 0.000 0.819 387 E CB -0.203 29.516 29.700 0.032 0.000 0.739 387 E HN 0.551 nan 8.360 nan 0.000 0.458 388 A N 0.690 123.545 122.820 0.058 0.000 1.892 388 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 388 A C 2.448 180.111 177.584 0.131 0.000 1.188 388 A CA 2.669 54.748 52.037 0.070 0.000 0.631 388 A CB -1.359 17.651 19.000 0.016 0.000 0.822 388 A HN 0.498 nan 8.150 nan 0.000 0.447 389 T N -3.054 111.561 114.554 0.101 0.000 2.746 389 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 389 T C 2.093 176.861 174.700 0.113 0.000 1.039 389 T CA 2.058 64.219 62.100 0.102 0.000 1.142 389 T CB -0.788 68.126 68.868 0.075 0.000 0.866 389 T HN 0.414 nan 8.240 nan 0.000 0.444 390 S N 0.317 116.106 115.700 0.149 0.000 2.359 390 S HA -0.180 4.289 4.470 -0.000 0.000 0.224 390 S C 1.845 176.540 174.600 0.159 0.000 1.035 390 S CA 1.397 59.688 58.200 0.152 0.000 1.018 390 S CB -0.910 62.425 63.200 0.225 0.000 0.876 390 S HN 0.688 nan 8.310 nan 0.000 0.448 391 Y N 1.502 121.849 120.300 0.079 0.000 2.165 391 Y HA -0.097 4.453 4.550 -0.000 0.000 0.286 391 Y C 2.116 178.038 175.900 0.037 0.000 1.155 391 Y CA 1.938 60.077 58.100 0.066 0.000 1.164 391 Y CB -0.540 37.940 38.460 0.033 0.000 0.978 391 Y HN 0.317 nan 8.280 nan 0.000 0.513 392 L N -0.815 120.483 121.223 0.124 0.000 2.079 392 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 392 L C 2.784 179.632 176.870 -0.037 0.000 1.081 392 L CA 1.892 56.759 54.840 0.045 0.000 0.752 392 L CB -0.572 41.560 42.059 0.123 0.000 0.896 392 L HN 0.386 nan 8.230 nan 0.000 0.433 393 S N -1.382 114.258 115.700 -0.101 0.000 2.348 393 S HA -0.186 4.284 4.470 -0.000 0.000 0.219 393 S C 1.816 176.245 174.600 -0.285 0.000 1.033 393 S CA 1.224 59.288 58.200 -0.227 0.000 0.974 393 S CB -0.272 62.677 63.200 -0.417 0.000 0.868 393 S HN 0.622 nan 8.310 nan 0.000 0.459 394 H N 0.003 119.024 119.070 -0.082 0.000 2.403 394 H HA 0.179 4.734 4.556 -0.000 0.000 0.298 394 H C 2.506 177.741 175.328 -0.156 0.000 1.059 394 H CA 1.284 57.272 56.048 -0.099 0.000 1.363 394 H CB 0.105 29.824 29.762 -0.072 0.000 1.410 394 H HN 0.289 nan 8.280 nan 0.000 0.528 395 Q N 0.410 120.083 119.800 -0.212 0.000 2.107 395 Q HA 0.074 4.414 4.340 -0.000 0.000 0.195 395 Q C 2.281 178.115 176.000 -0.277 0.000 0.964 395 Q CA 0.763 56.360 55.803 -0.344 0.000 0.833 395 Q CB -0.028 28.220 28.738 -0.817 0.000 0.910 395 Q HN 0.439 nan 8.270 nan 0.000 0.465 396 L N 0.747 121.782 121.223 -0.313 0.000 2.509 396 L HA 0.019 4.359 4.340 -0.000 0.000 0.222 396 L C 0.134 176.988 176.870 -0.027 0.000 1.123 396 L CA 0.150 54.907 54.840 -0.138 0.000 0.856 396 L CB 0.027 42.023 42.059 -0.104 0.000 0.985 396 L HN 0.210 nan 8.230 nan 0.000 0.456 397 D N -0.199 120.180 120.400 -0.036 0.000 2.870 397 D HA -0.283 4.357 4.640 -0.000 0.000 0.228 397 D C -0.111 176.225 176.300 0.060 0.000 1.147 397 D CA 0.350 54.347 54.000 -0.004 0.000 0.757 397 D CB -1.321 39.476 40.800 -0.005 0.000 1.091 397 D HN 0.178 nan 8.370 nan 0.000 0.429 398 F N 1.013 120.912 119.950 -0.084 0.000 2.619 398 F HA 0.364 4.891 4.527 -0.000 0.000 0.350 398 F C 0.937 176.701 175.800 -0.060 0.000 1.259 398 F CA -0.181 57.783 58.000 -0.059 0.000 1.204 398 F CB -0.125 38.845 39.000 -0.050 0.000 1.556 398 F HN -0.078 nan 8.300 nan 0.000 0.650 399 N N 2.240 120.779 118.700 -0.268 0.000 2.360 399 N HA 0.116 4.856 4.740 -0.000 0.000 0.211 399 N C -0.552 174.797 175.510 -0.268 0.000 1.147 399 N CA 0.342 53.234 53.050 -0.262 0.000 0.866 399 N CB 1.059 39.461 38.487 -0.141 0.000 1.206 399 N HN 0.208 nan 8.380 nan 0.000 0.478 400 V N 2.006 121.772 119.914 -0.245 0.000 2.547 400 V HA 0.478 4.597 4.120 -0.000 0.000 0.299 400 V C -0.802 175.141 176.094 -0.251 0.000 1.040 400 V CA -0.743 61.442 62.300 -0.192 0.000 0.913 400 V CB 2.395 34.161 31.823 -0.096 0.000 0.992 400 V HN -0.023 nan 8.190 nan 0.000 0.449 401 L N 5.298 126.402 121.223 -0.199 0.000 2.471 401 L HA 0.504 4.844 4.340 -0.000 0.000 0.263 401 L C -0.056 176.779 176.870 -0.058 0.000 0.985 401 L CA -0.403 54.355 54.840 -0.137 0.000 0.868 401 L CB 0.824 42.776 42.059 -0.177 0.000 1.203 401 L HN 0.848 nan 8.230 nan 0.000 0.429 402 N N 3.172 121.857 118.700 -0.025 0.000 2.678 402 N HA -0.312 4.428 4.740 -0.000 0.000 0.268 402 N C 0.409 175.906 175.510 -0.022 0.000 1.010 402 N CA 0.948 53.990 53.050 -0.013 0.000 0.784 402 N CB -1.416 37.071 38.487 -0.001 0.000 0.905 402 N HN 0.805 nan 8.380 nan 0.000 0.552 403 N N -2.607 116.076 118.700 -0.028 0.000 2.811 403 N HA -0.220 4.520 4.740 -0.000 0.000 0.211 403 N C -0.955 174.536 175.510 -0.032 0.000 0.990 403 N CA 2.066 55.100 53.050 -0.025 0.000 1.362 403 N CB -0.646 37.832 38.487 -0.014 0.000 0.940 403 N HN 0.746 nan 8.380 nan 0.000 0.572 404 K N 1.996 122.373 120.400 -0.038 0.000 2.249 404 K HA 0.302 4.622 4.320 -0.000 0.000 0.280 404 K C -2.491 174.070 176.600 -0.066 0.000 1.033 404 K CA -1.390 54.873 56.287 -0.040 0.000 0.946 404 K CB 0.509 32.989 32.500 -0.033 0.000 1.005 404 K HN 0.133 nan 8.250 nan 0.000 0.469 405 P HA -0.017 nan 4.420 nan 0.000 0.268 405 P C -0.072 177.170 177.300 -0.097 0.000 1.204 405 P CA -0.190 62.870 63.100 -0.066 0.000 0.768 405 P CB 0.450 32.143 31.700 -0.012 0.000 0.842 406 V N 3.470 123.282 119.914 -0.170 0.000 2.572 406 V HA 0.060 4.180 4.120 -0.000 0.000 0.291 406 V C 1.393 177.425 176.094 -0.104 0.000 1.039 406 V CA 0.242 62.422 62.300 -0.200 0.000 1.055 406 V CB 0.356 31.957 31.823 -0.369 0.000 0.969 406 V HN 0.752 nan 8.190 nan 0.000 0.482 407 S N 4.765 120.418 115.700 -0.077 0.000 2.669 407 S HA 0.353 4.823 4.470 -0.000 0.000 0.270 407 S C 0.831 175.382 174.600 -0.083 0.000 1.225 407 S CA -0.564 57.600 58.200 -0.059 0.000 0.991 407 S CB 1.183 64.347 63.200 -0.061 0.000 0.987 407 S HN 0.522 nan 8.310 nan 0.000 0.552 408 L N 2.200 123.345 121.223 -0.129 0.000 2.042 408 L HA 0.115 4.455 4.340 -0.000 0.000 0.210 408 L C 2.379 179.126 176.870 -0.204 0.000 1.076 408 L CA 2.538 57.247 54.840 -0.218 0.000 0.749 408 L CB -1.574 40.214 42.059 -0.453 0.000 0.893 408 L HN 1.003 nan 8.230 nan 0.000 0.432 409 G N -1.576 107.100 108.800 -0.207 0.000 2.545 409 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 409 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 409 G C 1.449 176.266 174.900 -0.139 0.000 1.218 409 G CA 0.854 45.827 45.100 -0.212 0.000 0.787 409 G HN 0.505 nan 8.290 nan 0.000 0.571 410 Q N 0.007 119.759 119.800 -0.080 0.000 2.047 410 Q HA -0.265 4.075 4.340 -0.000 0.000 0.211 410 Q C 3.027 179.050 176.000 0.037 0.000 1.005 410 Q CA 1.979 57.774 55.803 -0.014 0.000 0.866 410 Q CB -0.393 28.343 28.738 -0.003 0.000 0.938 410 Q HN 0.482 nan 8.270 nan 0.000 0.414 411 A N 0.465 123.314 122.820 0.049 0.000 1.883 411 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 411 A C 2.070 179.670 177.584 0.026 0.000 1.186 411 A CA 1.454 53.554 52.037 0.107 0.000 0.624 411 A CB -0.898 18.157 19.000 0.091 0.000 0.822 411 A HN 0.389 nan 8.150 nan 0.000 0.444 412 L N -0.760 120.435 121.223 -0.047 0.000 2.021 412 L HA -0.302 4.038 4.340 -0.000 0.000 0.215 412 L C 2.696 179.548 176.870 -0.030 0.000 1.074 412 L CA 2.098 56.901 54.840 -0.061 0.000 0.760 412 L CB -0.574 41.361 42.059 -0.207 0.000 0.889 412 L HN 0.524 nan 8.230 nan 0.000 0.433 413 E N -0.639 119.534 120.200 -0.045 0.000 2.007 413 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 413 E C 2.170 178.763 176.600 -0.012 0.000 0.999 413 E CA 1.604 57.994 56.400 -0.017 0.000 0.811 413 E CB -0.257 29.433 29.700 -0.016 0.000 0.762 413 E HN 0.186 nan 8.360 nan 0.000 0.450 414 V N 1.000 120.913 119.914 -0.001 0.000 2.511 414 V HA -0.278 3.842 4.120 -0.000 0.000 0.257 414 V C 2.139 178.189 176.094 -0.072 0.000 1.088 414 V CA 1.421 63.698 62.300 -0.039 0.000 1.098 414 V CB -0.423 31.368 31.823 -0.052 0.000 0.674 414 V HN 0.152 nan 8.190 nan 0.000 0.470 415 V N -0.950 118.936 119.914 -0.048 0.000 2.379 415 V HA -0.113 4.007 4.120 -0.000 0.000 0.243 415 V C 2.072 178.104 176.094 -0.104 0.000 1.035 415 V CA 1.665 63.927 62.300 -0.065 0.000 1.035 415 V CB -0.221 31.589 31.823 -0.023 0.000 0.673 415 V HN 0.399 nan 8.190 nan 0.000 0.457 416 I N -0.177 120.355 120.570 -0.063 0.000 2.163 416 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 416 I C 2.685 178.709 176.117 -0.155 0.000 1.085 416 I CA 1.772 63.011 61.300 -0.103 0.000 1.347 416 I CB -0.384 37.652 38.000 0.061 0.000 1.044 416 I HN 0.393 nan 8.210 nan 0.000 0.408 417 Q N 0.169 119.924 119.800 -0.076 0.000 2.012 417 Q HA -0.285 4.054 4.340 -0.000 0.000 0.211 417 Q C 2.212 178.155 176.000 -0.096 0.000 1.009 417 Q CA 1.924 57.688 55.803 -0.064 0.000 0.866 417 Q CB -0.297 28.416 28.738 -0.042 0.000 0.945 417 Q HN 0.301 nan 8.270 nan 0.000 0.414 418 L N 0.623 121.781 121.223 -0.108 0.000 2.189 418 L HA -0.237 4.103 4.340 -0.000 0.000 0.214 418 L C 2.294 179.076 176.870 -0.147 0.000 1.097 418 L CA 1.658 56.434 54.840 -0.107 0.000 0.764 418 L CB -0.664 41.329 42.059 -0.110 0.000 0.900 418 L HN 0.263 nan 8.230 nan 0.000 0.436 419 Q N -0.726 118.902 119.800 -0.288 0.000 2.062 419 Q HA -0.141 4.199 4.340 -0.000 0.000 0.196 419 Q C 2.201 177.990 176.000 -0.352 0.000 0.967 419 Q CA 1.035 56.554 55.803 -0.473 0.000 0.832 419 Q CB -0.193 27.907 28.738 -1.062 0.000 0.899 419 Q HN 0.533 nan 8.270 nan 0.000 0.442 420 E N 0.942 120.954 120.200 -0.312 0.000 2.049 420 E HA -0.224 4.126 4.350 -0.000 0.000 0.198 420 E C 1.973 178.578 176.600 0.009 0.000 1.007 420 E CA 1.435 57.808 56.400 -0.046 0.000 0.809 420 E CB -0.029 29.674 29.700 0.006 0.000 0.749 420 E HN 0.189 nan 8.360 nan 0.000 0.450 421 K N 0.342 120.736 120.400 -0.011 0.000 1.987 421 K HA -0.309 4.011 4.320 -0.000 0.000 0.216 421 K C 2.255 178.883 176.600 0.048 0.000 1.051 421 K CA 2.218 58.514 56.287 0.015 0.000 0.942 421 K CB -0.475 32.027 32.500 0.003 0.000 0.722 421 K HN 0.267 nan 8.250 nan 0.000 0.444 422 H N 0.207 119.250 119.070 -0.045 0.000 2.394 422 H HA -0.130 4.426 4.556 -0.000 0.000 0.297 422 H C 1.945 177.275 175.328 0.003 0.000 1.113 422 H CA 2.094 58.127 56.048 -0.025 0.000 1.277 422 H CB -0.168 29.569 29.762 -0.042 0.000 1.370 422 H HN 0.074 nan 8.280 nan 0.000 0.506 423 V N 1.069 121.031 119.914 0.080 0.000 2.252 423 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 423 V C 2.361 178.436 176.094 -0.031 0.000 1.056 423 V CA 2.489 64.807 62.300 0.031 0.000 1.022 423 V CB -0.447 31.465 31.823 0.148 0.000 0.641 423 V HN 0.525 nan 8.190 nan 0.000 0.445 424 K N -0.742 119.662 120.400 0.007 0.000 1.965 424 K HA -0.214 4.106 4.320 -0.000 0.000 0.214 424 K C 1.921 178.516 176.600 -0.007 0.000 1.046 424 K CA 1.725 58.023 56.287 0.019 0.000 0.944 424 K CB -0.663 31.855 32.500 0.031 0.000 0.726 424 K HN 0.361 nan 8.250 nan 0.000 0.441 425 D N 0.730 121.112 120.400 -0.031 0.000 2.585 425 D HA -0.239 4.401 4.640 -0.000 0.000 0.190 425 D C 1.852 178.100 176.300 -0.086 0.000 1.057 425 D CA 1.493 55.461 54.000 -0.053 0.000 0.900 425 D CB -0.066 40.691 40.800 -0.072 0.000 0.900 425 D HN 0.295 nan 8.370 nan 0.000 0.463 426 E N -0.029 120.066 120.200 -0.174 0.000 2.060 426 E HA -0.084 4.266 4.350 -0.000 0.000 0.189 426 E C 2.229 178.795 176.600 -0.056 0.000 0.974 426 E CA 0.307 56.601 56.400 -0.177 0.000 0.808 426 E CB -0.104 29.407 29.700 -0.316 0.000 0.768 426 E HN 0.399 nan 8.360 nan 0.000 0.453 427 Q N 0.732 120.526 119.800 -0.010 0.000 2.045 427 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 427 Q C 2.348 178.508 176.000 0.265 0.000 0.991 427 Q CA 1.549 57.420 55.803 0.114 0.000 0.851 427 Q CB -0.211 28.654 28.738 0.211 0.000 0.911 427 Q HN 0.275 nan 8.270 nan 0.000 0.418 428 I N 0.746 121.438 120.570 0.204 0.000 2.074 428 I HA -0.362 3.808 4.170 -0.000 0.000 0.238 428 I C 2.234 178.450 176.117 0.165 0.000 1.037 428 I CA 2.010 63.427 61.300 0.195 0.000 1.301 428 I CB -0.483 37.576 38.000 0.098 0.000 1.016 428 I HN 0.377 nan 8.210 nan 0.000 0.400 429 E N -0.130 120.120 120.200 0.084 0.000 2.472 429 E HA -0.253 4.097 4.350 -0.000 0.000 0.200 429 E C 1.906 178.534 176.600 0.046 0.000 1.046 429 E CA 1.106 57.538 56.400 0.054 0.000 0.871 429 E CB -0.572 29.140 29.700 0.020 0.000 0.806 429 E HN 0.617 nan 8.360 nan 0.000 0.533 430 H N -0.181 118.843 119.070 -0.077 0.000 2.343 430 H HA -0.058 4.498 4.556 -0.000 0.000 0.303 430 H C 0.986 176.184 175.328 -0.216 0.000 1.068 430 H CA 1.498 57.420 56.048 -0.209 0.000 1.359 430 H CB -0.312 29.223 29.762 -0.378 0.000 1.402 430 H HN 0.338 nan 8.280 nan 0.000 0.515 431 W N 1.779 123.037 121.300 -0.071 0.000 2.381 431 W HA 0.023 4.683 4.660 -0.000 0.000 0.301 431 W C 2.786 179.241 176.519 -0.107 0.000 1.205 431 W CA 0.264 57.529 57.345 -0.132 0.000 1.285 431 W CB -0.125 29.334 29.460 -0.002 0.000 1.133 431 W HN 0.072 nan 8.180 nan 0.000 0.521 432 K N 0.741 121.238 120.400 0.161 0.000 2.228 432 K HA -0.254 4.066 4.320 -0.000 0.000 0.205 432 K C 1.869 178.476 176.600 0.011 0.000 1.045 432 K CA 1.467 57.798 56.287 0.072 0.000 0.931 432 K CB -0.187 32.347 32.500 0.057 0.000 0.727 432 K HN 0.181 nan 8.250 nan 0.000 0.458 433 K N 0.368 120.739 120.400 -0.048 0.000 2.166 433 K HA 0.057 4.377 4.320 -0.000 0.000 0.201 433 K C 2.069 178.611 176.600 -0.096 0.000 1.052 433 K CA 0.284 56.521 56.287 -0.083 0.000 0.969 433 K CB 0.158 32.583 32.500 -0.124 0.000 0.761 433 K HN 0.047 nan 8.250 nan 0.000 0.459 434 I N 1.319 121.806 120.570 -0.138 0.000 2.099 434 I HA -0.304 3.866 4.170 -0.000 0.000 0.239 434 I C 2.412 178.526 176.117 -0.004 0.000 1.066 434 I CA 1.605 62.858 61.300 -0.079 0.000 1.324 434 I CB -0.591 37.379 38.000 -0.049 0.000 1.037 434 I HN 0.069 nan 8.210 nan 0.000 0.401 435 V N -0.828 119.106 119.914 0.034 0.000 2.252 435 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 435 V C 2.452 178.550 176.094 0.008 0.000 1.056 435 V CA 1.961 64.278 62.300 0.028 0.000 1.022 435 V CB -1.033 30.812 31.823 0.035 0.000 0.641 435 V HN 0.372 nan 8.190 nan 0.000 0.445 436 K N -0.345 120.055 120.400 0.001 0.000 2.160 436 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 436 K C 2.262 178.855 176.600 -0.011 0.000 1.047 436 K CA 2.125 58.409 56.287 -0.005 0.000 0.930 436 K CB -0.311 32.184 32.500 -0.008 0.000 0.720 436 K HN 0.669 nan 8.250 nan 0.000 0.450 437 T N -0.039 114.505 114.554 -0.017 0.000 2.901 437 T HA -0.106 4.244 4.350 -0.000 0.000 0.252 437 T C 1.262 175.954 174.700 -0.014 0.000 1.035 437 T CA 0.727 62.815 62.100 -0.020 0.000 1.142 437 T CB 0.034 68.883 68.868 -0.031 0.000 0.869 437 T HN 0.225 nan 8.240 nan 0.000 0.442 438 Q N 1.082 120.878 119.800 -0.007 0.000 2.486 438 Q HA 0.019 4.359 4.340 -0.000 0.000 0.211 438 Q C 1.187 177.187 176.000 -0.000 0.000 0.949 438 Q CA 0.759 56.562 55.803 -0.000 0.000 0.998 438 Q CB -0.118 28.628 28.738 0.013 0.000 1.004 438 Q HN 0.535 nan 8.270 nan 0.000 0.531 439 E N -1.761 118.436 120.200 -0.004 0.000 2.626 439 E HA -0.037 4.313 4.350 -0.000 0.000 0.198 439 E C 0.832 177.428 176.600 -0.007 0.000 0.943 439 E CA 0.101 56.499 56.400 -0.004 0.000 1.515 439 E CB 0.123 29.822 29.700 -0.001 0.000 1.677 439 E HN 0.445 nan 8.360 nan 0.000 0.897 440 E N 0.680 120.874 120.200 -0.010 0.000 2.106 440 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 440 E C 2.072 178.662 176.600 -0.016 0.000 0.984 440 E CA 0.781 57.173 56.400 -0.013 0.000 0.806 440 E CB 0.216 29.906 29.700 -0.016 0.000 0.750 440 E HN 0.168 nan 8.360 nan 0.000 0.458 441 L N 1.553 122.767 121.223 -0.016 0.000 2.027 441 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 441 L C 2.354 179.215 176.870 -0.016 0.000 1.074 441 L CA 1.769 56.598 54.840 -0.018 0.000 0.745 441 L CB -0.416 41.634 42.059 -0.016 0.000 0.898 441 L HN -0.039 nan 8.230 nan 0.000 0.433 442 K N -0.247 120.147 120.400 -0.010 0.000 1.987 442 K HA -0.270 4.050 4.320 -0.000 0.000 0.216 442 K C 1.985 178.580 176.600 -0.008 0.000 1.051 442 K CA 2.212 58.495 56.287 -0.007 0.000 0.942 442 K CB -0.381 32.117 32.500 -0.003 0.000 0.722 442 K HN 0.430 nan 8.250 nan 0.000 0.444 443 E N 0.495 120.690 120.200 -0.008 0.000 2.187 443 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 443 E C 2.075 178.668 176.600 -0.012 0.000 1.004 443 E CA 1.401 57.796 56.400 -0.008 0.000 0.813 443 E CB -0.138 29.557 29.700 -0.008 0.000 0.736 443 E HN 0.286 nan 8.360 nan 0.000 0.468 444 L N 0.645 121.857 121.223 -0.019 0.000 2.044 444 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 444 L C 2.192 179.042 176.870 -0.033 0.000 1.075 444 L CA 1.202 56.023 54.840 -0.031 0.000 0.747 444 L CB -0.179 41.855 42.059 -0.043 0.000 0.903 444 L HN 0.077 nan 8.230 nan 0.000 0.435 445 L N -0.283 120.924 121.223 -0.026 0.000 2.079 445 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 445 L C 2.318 179.190 176.870 0.004 0.000 1.081 445 L CA 1.314 56.145 54.840 -0.016 0.000 0.752 445 L CB -0.912 41.142 42.059 -0.009 0.000 0.896 445 L HN 0.386 nan 8.230 nan 0.000 0.433 446 N N 0.478 119.180 118.700 0.004 0.000 2.043 446 N HA -0.220 4.520 4.740 -0.000 0.000 0.193 446 N C 1.768 177.289 175.510 0.018 0.000 1.037 446 N CA 1.361 54.418 53.050 0.012 0.000 0.851 446 N CB -0.162 38.329 38.487 0.007 0.000 1.027 446 N HN 0.205 nan 8.380 nan 0.000 0.422 447 K N 0.132 120.538 120.400 0.010 0.000 2.063 447 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 447 K C 2.027 178.650 176.600 0.039 0.000 1.048 447 K CA 1.245 57.542 56.287 0.016 0.000 0.928 447 K CB -0.106 32.395 32.500 0.001 0.000 0.713 447 K HN 0.163 nan 8.250 nan 0.000 0.442 448 M N 0.023 119.639 119.600 0.027 0.000 2.159 448 M HA -0.176 4.303 4.480 -0.000 0.000 0.263 448 M C 2.151 178.564 176.300 0.188 0.000 1.063 448 M CA 1.174 56.518 55.300 0.073 0.000 1.110 448 M CB -0.072 32.493 32.600 -0.059 0.000 1.374 448 M HN 0.055 nan 8.290 nan 0.000 0.411 449 V N 1.079 121.060 119.914 0.110 0.000 2.233 449 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 449 V C 1.732 177.869 176.094 0.071 0.000 1.050 449 V CA 2.203 64.558 62.300 0.092 0.000 1.010 449 V CB -0.706 31.149 31.823 0.052 0.000 0.637 449 V HN 0.486 nan 8.190 nan 0.000 0.444 450 N N -0.308 118.425 118.700 0.054 0.000 2.322 450 N HA -0.178 4.562 4.740 -0.000 0.000 0.189 450 N C 1.292 176.830 175.510 0.045 0.000 1.012 450 N CA 1.198 54.272 53.050 0.040 0.000 0.880 450 N CB -0.373 38.133 38.487 0.032 0.000 0.967 450 N HN 0.360 nan 8.380 nan 0.000 0.439 451 L N 0.892 122.164 121.223 0.082 0.000 2.084 451 L HA 0.077 4.417 4.340 -0.000 0.000 0.202 451 L C 1.978 178.859 176.870 0.020 0.000 1.074 451 L CA 1.393 56.284 54.840 0.085 0.000 0.757 451 L CB -0.470 41.694 42.059 0.174 0.000 0.918 451 L HN -0.018 nan 8.230 nan 0.000 0.444 452 K N -0.605 119.798 120.400 0.005 0.000 2.286 452 K HA -0.262 4.058 4.320 -0.000 0.000 0.203 452 K C 1.853 178.401 176.600 -0.086 0.000 1.045 452 K CA 1.424 57.612 56.287 -0.164 0.000 0.935 452 K CB 0.185 32.598 32.500 -0.146 0.000 0.737 452 K HN 0.236 nan 8.250 nan 0.000 0.460 453 E N 0.979 121.164 120.200 -0.026 0.000 2.014 453 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 453 E C 1.690 178.281 176.600 -0.015 0.000 0.980 453 E CA 1.389 57.780 56.400 -0.015 0.000 0.807 453 E CB 0.043 29.745 29.700 0.004 0.000 0.770 453 E HN 0.108 nan 8.360 nan 0.000 0.451 454 K N 0.070 120.466 120.400 -0.007 0.000 2.113 454 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 454 K C 2.226 178.818 176.600 -0.014 0.000 1.047 454 K CA 1.389 57.674 56.287 -0.003 0.000 0.928 454 K CB -0.288 32.214 32.500 0.004 0.000 0.716 454 K HN 0.208 nan 8.250 nan 0.000 0.446 455 I N 0.981 121.526 120.570 -0.042 0.000 2.113 455 I HA -0.338 3.832 4.170 -0.000 0.000 0.238 455 I C 2.581 178.676 176.117 -0.038 0.000 1.070 455 I CA 1.285 62.546 61.300 -0.065 0.000 1.332 455 I CB -0.334 37.579 38.000 -0.145 0.000 1.044 455 I HN 0.212 nan 8.210 nan 0.000 0.402 456 K N 0.941 121.310 120.400 -0.052 0.000 2.052 456 K HA -0.315 4.005 4.320 -0.000 0.000 0.215 456 K C 2.129 178.753 176.600 0.040 0.000 1.053 456 K CA 2.275 58.550 56.287 -0.019 0.000 0.934 456 K CB -0.237 32.246 32.500 -0.029 0.000 0.717 456 K HN 0.331 nan 8.250 nan 0.000 0.450 457 E N 0.461 120.677 120.200 0.026 0.000 2.107 457 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 457 E C 2.187 178.817 176.600 0.049 0.000 0.982 457 E CA 0.526 56.947 56.400 0.035 0.000 0.809 457 E CB 0.028 29.740 29.700 0.020 0.000 0.756 457 E HN 0.377 nan 8.360 nan 0.000 0.459 458 L N 0.369 121.619 121.223 0.046 0.000 2.141 458 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 458 L C 2.566 179.493 176.870 0.095 0.000 1.094 458 L CA 1.458 56.330 54.840 0.052 0.000 0.763 458 L CB -0.479 41.593 42.059 0.022 0.000 0.908 458 L HN 0.319 nan 8.230 nan 0.000 0.437 459 H N -0.417 118.653 119.070 0.001 0.000 2.321 459 H HA -0.237 4.319 4.556 -0.000 0.000 0.300 459 H C 2.243 177.631 175.328 0.100 0.000 1.087 459 H CA 1.990 58.056 56.048 0.030 0.000 1.319 459 H CB 0.100 29.853 29.762 -0.015 0.000 1.379 459 H HN 0.117 nan 8.280 nan 0.000 0.501 460 Q N 0.790 120.638 119.800 0.080 0.000 2.047 460 Q HA -0.249 4.091 4.340 -0.000 0.000 0.211 460 Q C 2.434 178.428 176.000 -0.010 0.000 1.005 460 Q CA 2.390 58.201 55.803 0.013 0.000 0.866 460 Q CB -0.541 28.222 28.738 0.042 0.000 0.938 460 Q HN 0.689 nan 8.270 nan 0.000 0.414 461 Q N -1.572 118.242 119.800 0.024 0.000 2.045 461 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 461 Q C 2.005 178.018 176.000 0.023 0.000 0.991 461 Q CA 2.007 57.824 55.803 0.023 0.000 0.851 461 Q CB -0.467 28.295 28.738 0.041 0.000 0.911 461 Q HN 0.591 nan 8.270 nan 0.000 0.418 462 Y N 1.306 121.556 120.300 -0.083 0.000 2.128 462 Y HA -0.317 4.232 4.550 -0.000 0.000 0.284 462 Y C 2.230 178.052 175.900 -0.130 0.000 1.154 462 Y CA 1.941 59.985 58.100 -0.092 0.000 1.149 462 Y CB -0.055 38.353 38.460 -0.087 0.000 0.976 462 Y HN -0.093 nan 8.280 nan 0.000 0.505 463 K N 0.836 121.156 120.400 -0.133 0.000 2.009 463 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 463 K C 1.977 178.445 176.600 -0.219 0.000 1.049 463 K CA 2.302 58.447 56.287 -0.237 0.000 0.929 463 K CB -0.396 31.976 32.500 -0.212 0.000 0.714 463 K HN 0.545 nan 8.250 nan 0.000 0.440 464 E N -0.971 119.146 120.200 -0.139 0.000 2.209 464 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 464 E C 1.656 178.182 176.600 -0.123 0.000 0.993 464 E CA 0.998 57.337 56.400 -0.102 0.000 0.819 464 E CB -0.083 29.582 29.700 -0.059 0.000 0.745 464 E HN 0.440 nan 8.360 nan 0.000 0.477 465 A N 0.133 122.852 122.820 -0.169 0.000 2.072 465 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 465 A C 2.173 179.617 177.584 -0.233 0.000 1.156 465 A CA 0.623 52.560 52.037 -0.166 0.000 0.701 465 A CB 0.114 19.029 19.000 -0.140 0.000 0.816 465 A HN 0.048 nan 8.150 nan 0.000 0.458 466 S N 0.021 115.503 115.700 -0.363 0.000 2.414 466 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 466 S C 1.718 176.208 174.600 -0.182 0.000 1.022 466 S CA 0.989 58.990 58.200 -0.332 0.000 0.958 466 S CB -0.169 62.754 63.200 -0.461 0.000 0.797 466 S HN 0.669 nan 8.310 nan 0.000 0.493 467 E N 1.231 121.340 120.200 -0.152 0.000 2.208 467 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 467 E C 0.398 176.956 176.600 -0.071 0.000 0.988 467 E CA 0.357 56.701 56.400 -0.093 0.000 0.828 467 E CB -0.373 29.281 29.700 -0.075 0.000 0.763 467 E HN 0.260 nan 8.360 nan 0.000 0.478 468 V N 4.411 124.281 119.914 -0.073 0.000 2.500 468 V HA -0.094 4.026 4.120 -0.000 0.000 0.267 468 V C 0.797 176.861 176.094 -0.049 0.000 0.977 468 V CA 0.558 62.827 62.300 -0.052 0.000 1.151 468 V CB -0.825 30.969 31.823 -0.048 0.000 1.013 468 V HN 0.044 nan 8.190 nan 0.000 0.467 469 K N 6.648 127.025 120.400 -0.039 0.000 2.355 469 K HA 0.273 4.593 4.320 -0.000 0.000 0.270 469 K C -1.860 174.724 176.600 -0.027 0.000 1.003 469 K CA -1.066 55.201 56.287 -0.033 0.000 0.957 469 K CB 0.615 33.100 32.500 -0.026 0.000 0.939 469 K HN 0.415 nan 8.250 nan 0.000 0.482 470 P HA 0.298 nan 4.420 nan 0.000 0.279 470 P C -2.381 174.911 177.300 -0.014 0.000 1.276 470 P CA -1.164 61.925 63.100 -0.018 0.000 0.801 470 P CB -0.643 31.046 31.700 -0.018 0.000 1.127 471 P HA 0.322 nan 4.420 nan 0.000 0.279 471 P C -0.479 176.817 177.300 -0.007 0.000 1.239 471 P CA -0.235 62.860 63.100 -0.008 0.000 0.789 471 P CB 0.899 32.596 31.700 -0.005 0.000 0.933 472 R N 0.753 121.250 120.500 -0.005 0.000 2.832 472 R HA 0.543 4.883 4.340 -0.000 0.000 0.271 472 R C -0.428 175.875 176.300 0.005 0.000 0.996 472 R CA -0.950 55.149 56.100 -0.002 0.000 0.977 472 R CB 0.719 31.017 30.300 -0.003 0.000 1.168 472 R HN 0.425 nan 8.270 nan 0.000 0.482 473 D N 0.189 120.594 120.400 0.007 0.000 2.383 473 D HA 0.010 4.649 4.640 -0.000 0.000 0.248 473 D C 0.858 177.171 176.300 0.022 0.000 1.170 473 D CA -0.673 53.333 54.000 0.010 0.000 0.977 473 D CB 0.704 41.507 40.800 0.005 0.000 1.120 473 D HN 0.452 nan 8.370 nan 0.000 0.481 474 I N 0.277 120.861 120.570 0.023 0.000 2.361 474 I HA -0.206 3.963 4.170 -0.000 0.000 0.251 474 I C 2.216 178.378 176.117 0.074 0.000 1.133 474 I CA 1.972 63.298 61.300 0.043 0.000 1.413 474 I CB -0.683 37.335 38.000 0.030 0.000 1.073 474 I HN 0.764 nan 8.210 nan 0.000 0.424 475 T N -1.973 112.606 114.554 0.041 0.000 2.867 475 T HA -0.039 4.311 4.350 -0.000 0.000 0.268 475 T C 1.915 176.690 174.700 0.125 0.000 1.057 475 T CA 0.894 63.026 62.100 0.054 0.000 1.136 475 T CB -0.689 68.177 68.868 -0.005 0.000 0.874 475 T HN 0.267 nan 8.240 nan 0.000 0.466 476 A N 0.945 123.811 122.820 0.077 0.000 2.067 476 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 476 A C 2.208 179.831 177.584 0.064 0.000 1.156 476 A CA 1.397 53.472 52.037 0.063 0.000 0.683 476 A CB -0.548 18.468 19.000 0.026 0.000 0.808 476 A HN 0.548 nan 8.150 nan 0.000 0.455 477 E N -0.713 119.535 120.200 0.081 0.000 2.076 477 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 477 E C 1.550 178.208 176.600 0.096 0.000 0.979 477 E CA 0.991 57.429 56.400 0.063 0.000 0.807 477 E CB -0.445 29.290 29.700 0.057 0.000 0.761 477 E HN 0.521 nan 8.360 nan 0.000 0.454 478 F N 0.477 120.429 119.950 0.004 0.000 2.126 478 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 478 F C 1.932 177.748 175.800 0.026 0.000 1.096 478 F CA 1.463 59.472 58.000 0.015 0.000 1.255 478 F CB -0.307 38.701 39.000 0.012 0.000 0.997 478 F HN 0.162 nan 8.300 nan 0.000 0.479 479 L N -0.298 121.030 121.223 0.175 0.000 2.012 479 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 479 L C 2.315 179.162 176.870 -0.039 0.000 1.073 479 L CA 1.665 56.544 54.840 0.065 0.000 0.748 479 L CB -0.665 41.453 42.059 0.098 0.000 0.891 479 L HN 0.069 nan 8.230 nan 0.000 0.431 480 V N -0.212 119.683 119.914 -0.032 0.000 2.255 480 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 480 V C 2.686 178.806 176.094 0.043 0.000 1.051 480 V CA 1.869 64.149 62.300 -0.033 0.000 1.018 480 V CB -0.738 31.035 31.823 -0.082 0.000 0.641 480 V HN 0.416 nan 8.190 nan 0.000 0.445 481 K N 0.400 120.766 120.400 -0.057 0.000 1.978 481 K HA -0.185 4.135 4.320 -0.000 0.000 0.214 481 K C 2.478 178.996 176.600 -0.138 0.000 1.049 481 K CA 1.952 58.184 56.287 -0.091 0.000 0.939 481 K CB -1.222 31.186 32.500 -0.154 0.000 0.721 481 K HN 0.529 nan 8.250 nan 0.000 0.441 482 S N 1.551 116.992 115.700 -0.432 0.000 2.434 482 S HA -0.238 4.232 4.470 -0.000 0.000 0.240 482 S C 1.878 176.410 174.600 -0.112 0.000 1.052 482 S CA 2.010 59.962 58.200 -0.413 0.000 1.198 482 S CB -0.175 62.650 63.200 -0.625 0.000 1.124 482 S HN 0.197 nan 8.310 nan 0.000 0.426 483 K N 0.621 121.007 120.400 -0.024 0.000 2.173 483 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 483 K C 2.151 178.800 176.600 0.082 0.000 1.046 483 K CA 1.659 57.989 56.287 0.072 0.000 0.929 483 K CB -1.038 31.560 32.500 0.164 0.000 0.720 483 K HN 0.741 nan 8.250 nan 0.000 0.453 484 H N 1.413 120.512 119.070 0.047 0.000 2.299 484 H HA -0.069 4.487 4.556 -0.000 0.000 0.302 484 H C 2.277 177.543 175.328 -0.103 0.000 1.078 484 H CA 1.695 57.697 56.048 -0.076 0.000 1.323 484 H CB 0.129 29.904 29.762 0.021 0.000 1.381 484 H HN 0.130 nan 8.280 nan 0.000 0.498 485 R N 0.692 121.241 120.500 0.082 0.000 2.103 485 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 485 R C 1.639 177.899 176.300 -0.067 0.000 1.132 485 R CA 2.174 58.279 56.100 0.008 0.000 0.925 485 R CB -0.582 29.727 30.300 0.016 0.000 0.842 485 R HN 0.277 nan 8.270 nan 0.000 0.430 486 D N 0.731 121.100 120.400 -0.051 0.000 2.220 486 D HA -0.218 4.422 4.640 -0.000 0.000 0.198 486 D C 1.785 178.040 176.300 -0.075 0.000 1.001 486 D CA 1.336 55.309 54.000 -0.046 0.000 0.875 486 D CB -0.189 40.596 40.800 -0.025 0.000 0.921 486 D HN 0.249 nan 8.370 nan 0.000 0.454 487 L N 0.144 121.285 121.223 -0.136 0.000 2.095 487 L HA -0.067 4.273 4.340 -0.000 0.000 0.204 487 L C 2.363 179.121 176.870 -0.187 0.000 1.080 487 L CA 1.614 56.351 54.840 -0.173 0.000 0.759 487 L CB -0.748 41.155 42.059 -0.260 0.000 0.914 487 L HN 0.122 nan 8.230 nan 0.000 0.439 488 T N -2.647 111.764 114.554 -0.239 0.000 2.788 488 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 488 T C 1.950 176.597 174.700 -0.088 0.000 1.044 488 T CA 0.919 62.914 62.100 -0.176 0.000 1.139 488 T CB -0.927 67.834 68.868 -0.178 0.000 0.867 488 T HN 0.339 nan 8.240 nan 0.000 0.454 489 A N 2.209 124.988 122.820 -0.068 0.000 1.903 489 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 489 A C 2.363 179.933 177.584 -0.022 0.000 1.191 489 A CA 1.628 53.645 52.037 -0.033 0.000 0.638 489 A CB -0.975 18.011 19.000 -0.024 0.000 0.823 489 A HN 0.577 nan 8.150 nan 0.000 0.451 490 L N -1.180 120.024 121.223 -0.031 0.000 2.599 490 L HA -0.051 4.289 4.340 -0.000 0.000 0.230 490 L C 1.790 178.659 176.870 -0.003 0.000 1.141 490 L CA 0.130 54.964 54.840 -0.010 0.000 0.877 490 L CB -0.470 41.577 42.059 -0.020 0.000 1.009 490 L HN 0.506 nan 8.230 nan 0.000 0.447 491 C N -0.778 118.506 119.300 -0.026 0.000 2.611 491 C HA -0.012 4.448 4.460 -0.000 0.000 0.282 491 C C 2.730 177.735 174.990 0.025 0.000 1.321 491 C CA -0.125 58.886 59.018 -0.012 0.000 1.747 491 C CB 0.200 27.899 27.740 -0.068 0.000 2.124 491 C HN 0.458 nan 8.230 nan 0.000 0.531 492 K N 1.554 121.958 120.400 0.005 0.000 2.009 492 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 492 K C 1.841 178.457 176.600 0.027 0.000 1.049 492 K CA 1.657 57.950 56.287 0.010 0.000 0.929 492 K CB -0.109 32.390 32.500 -0.001 0.000 0.714 492 K HN 0.517 nan 8.250 nan 0.000 0.440 493 E N -0.419 119.801 120.200 0.033 0.000 2.012 493 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 493 E C 1.756 178.391 176.600 0.058 0.000 1.007 493 E CA 1.651 58.073 56.400 0.037 0.000 0.816 493 E CB -0.338 29.386 29.700 0.041 0.000 0.762 493 E HN 0.426 nan 8.360 nan 0.000 0.451 494 Y N 1.298 121.582 120.300 -0.028 0.000 2.751 494 Y HA -0.166 4.384 4.550 -0.000 0.000 0.310 494 Y C 1.066 176.949 175.900 -0.028 0.000 1.176 494 Y CA 0.521 58.604 58.100 -0.027 0.000 1.360 494 Y CB 0.160 38.601 38.460 -0.031 0.000 0.999 494 Y HN 0.020 nan 8.280 nan 0.000 0.532 495 D N -0.390 120.061 120.400 0.084 0.000 2.394 495 D HA -0.068 4.572 4.640 -0.000 0.000 0.226 495 D C 1.574 177.849 176.300 -0.042 0.000 0.990 495 D CA 0.745 54.762 54.000 0.027 0.000 0.902 495 D CB 0.075 40.903 40.800 0.047 0.000 1.038 495 D HN 0.508 nan 8.370 nan 0.000 0.499 496 E N 0.228 120.406 120.200 -0.037 0.000 2.204 496 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 496 E C 1.676 178.227 176.600 -0.083 0.000 0.989 496 E CA 0.430 56.801 56.400 -0.048 0.000 0.824 496 E CB 0.221 29.903 29.700 -0.029 0.000 0.756 496 E HN 0.114 nan 8.360 nan 0.000 0.477 497 L N 0.293 121.438 121.223 -0.130 0.000 2.131 497 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 497 L C 2.266 178.997 176.870 -0.232 0.000 1.087 497 L CA 1.265 55.998 54.840 -0.178 0.000 0.767 497 L CB -0.508 41.426 42.059 -0.209 0.000 0.917 497 L HN 0.036 nan 8.230 nan 0.000 0.441 498 A N -0.914 121.722 122.820 -0.307 0.000 2.015 498 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 498 A C 2.170 179.677 177.584 -0.128 0.000 1.163 498 A CA 1.455 53.343 52.037 -0.248 0.000 0.646 498 A CB -0.360 18.498 19.000 -0.236 0.000 0.806 498 A HN 0.376 nan 8.150 nan 0.000 0.448 499 E N 0.044 120.184 120.200 -0.101 0.000 1.997 499 E HA -0.135 4.215 4.350 -0.000 0.000 0.201 499 E C 2.010 178.573 176.600 -0.062 0.000 1.011 499 E CA 2.187 58.548 56.400 -0.065 0.000 0.847 499 E CB -1.010 28.659 29.700 -0.051 0.000 0.787 499 E HN 0.410 nan 8.360 nan 0.000 0.472 500 T N 1.075 115.590 114.554 -0.063 0.000 2.635 500 T HA -0.344 4.006 4.350 -0.000 0.000 0.265 500 T C 1.767 176.431 174.700 -0.059 0.000 1.058 500 T CA 2.136 64.202 62.100 -0.057 0.000 1.162 500 T CB -0.531 68.301 68.868 -0.060 0.000 0.859 500 T HN 0.349 nan 8.240 nan 0.000 0.449 501 Q N 0.202 119.954 119.800 -0.079 0.000 2.112 501 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 501 Q C 2.553 178.522 176.000 -0.053 0.000 0.987 501 Q CA 1.926 57.685 55.803 -0.073 0.000 0.858 501 Q CB -0.641 28.037 28.738 -0.100 0.000 0.905 501 Q HN 0.645 nan 8.270 nan 0.000 0.420 502 G N 0.853 109.622 108.800 -0.051 0.000 2.418 502 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 502 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 502 G C 1.346 176.229 174.900 -0.030 0.000 1.158 502 G CA 0.797 45.875 45.100 -0.036 0.000 0.771 502 G HN 0.300 nan 8.290 nan 0.000 0.545 503 K N 0.182 120.563 120.400 -0.031 0.000 1.991 503 K HA 0.032 4.352 4.320 -0.000 0.000 0.212 503 K C 2.423 179.008 176.600 -0.026 0.000 1.049 503 K CA 0.961 57.232 56.287 -0.027 0.000 0.932 503 K CB -0.499 31.985 32.500 -0.027 0.000 0.717 503 K HN 0.250 nan 8.250 nan 0.000 0.441 504 L N 1.080 122.286 121.223 -0.029 0.000 2.265 504 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 504 L C 2.129 178.985 176.870 -0.023 0.000 1.117 504 L CA 1.171 55.995 54.840 -0.027 0.000 0.782 504 L CB -0.433 41.609 42.059 -0.028 0.000 0.914 504 L HN 0.307 nan 8.230 nan 0.000 0.441 505 E N 0.027 120.213 120.200 -0.023 0.000 2.230 505 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 505 E C 1.974 178.565 176.600 -0.014 0.000 0.987 505 E CA 0.717 57.107 56.400 -0.017 0.000 0.841 505 E CB 0.321 30.010 29.700 -0.018 0.000 0.783 505 E HN 0.624 nan 8.360 nan 0.000 0.481 506 E N 0.928 121.118 120.200 -0.016 0.000 2.102 506 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 506 E C 1.819 178.409 176.600 -0.016 0.000 0.971 506 E CA 0.376 56.767 56.400 -0.014 0.000 0.821 506 E CB -0.269 29.422 29.700 -0.014 0.000 0.777 506 E HN -0.096 nan 8.360 nan 0.000 0.460 507 K N 0.510 120.898 120.400 -0.020 0.000 2.589 507 K HA -0.098 4.222 4.320 -0.000 0.000 0.195 507 K C 1.351 177.934 176.600 -0.028 0.000 1.042 507 K CA 0.559 56.832 56.287 -0.024 0.000 0.940 507 K CB 0.026 32.511 32.500 -0.025 0.000 0.776 507 K HN 0.283 nan 8.250 nan 0.000 0.487 508 L N -0.901 120.309 121.223 -0.022 0.000 2.993 508 L HA 0.089 4.429 4.340 -0.000 0.000 0.264 508 L C 1.693 178.556 176.870 -0.011 0.000 1.154 508 L CA -0.020 54.807 54.840 -0.022 0.000 0.972 508 L CB 0.418 42.468 42.059 -0.014 0.000 1.373 508 L HN 0.043 nan 8.230 nan 0.000 0.564 509 Q N -0.487 119.309 119.800 -0.008 0.000 2.302 509 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 509 Q C 1.361 177.357 176.000 -0.006 0.000 0.936 509 Q CA 0.608 56.410 55.803 -0.001 0.000 0.886 509 Q CB 0.463 29.201 28.738 -0.000 0.000 0.986 509 Q HN 0.317 nan 8.270 nan 0.000 0.487 510 E N 1.447 121.639 120.200 -0.013 0.000 1.987 510 E HA -0.224 4.126 4.350 -0.000 0.000 0.214 510 E C 1.700 178.290 176.600 -0.017 0.000 1.012 510 E CA 1.600 57.990 56.400 -0.017 0.000 0.881 510 E CB -0.570 29.118 29.700 -0.021 0.000 0.806 510 E HN 0.204 nan 8.360 nan 0.000 0.516 511 L N 0.024 121.228 121.223 -0.033 0.000 2.051 511 L HA -0.229 4.111 4.340 -0.000 0.000 0.214 511 L C 2.650 179.519 176.870 -0.002 0.000 1.076 511 L CA 2.107 56.921 54.840 -0.042 0.000 0.758 511 L CB -0.780 41.194 42.059 -0.141 0.000 0.890 511 L HN 0.403 nan 8.230 nan 0.000 0.433 512 E N -0.448 119.737 120.200 -0.025 0.000 2.516 512 E HA -0.067 4.283 4.350 -0.000 0.000 0.199 512 E C 1.818 178.428 176.600 0.016 0.000 1.069 512 E CA 0.565 56.966 56.400 0.001 0.000 0.876 512 E CB 0.198 29.920 29.700 0.036 0.000 0.843 512 E HN 0.479 nan 8.360 nan 0.000 0.530 513 A N 1.104 123.926 122.820 0.003 0.000 2.108 513 A HA 0.020 4.340 4.320 -0.000 0.000 0.206 513 A C 0.602 178.170 177.584 -0.026 0.000 1.212 513 A CA -0.159 51.875 52.037 -0.005 0.000 0.843 513 A CB 0.234 19.231 19.000 -0.004 0.000 0.902 513 A HN 0.247 nan 8.150 nan 0.000 0.477 514 N N 1.766 120.444 118.700 -0.037 0.000 3.044 514 N HA 0.277 5.017 4.740 -0.000 0.000 0.254 514 N C -3.191 172.221 175.510 -0.164 0.000 1.253 514 N CA -1.135 51.871 53.050 -0.073 0.000 0.944 514 N CB 0.777 39.232 38.487 -0.053 0.000 1.217 514 N HN 0.153 nan 8.380 nan 0.000 0.498 515 P HA 0.329 nan 4.420 nan 0.000 0.274 515 P C -2.160 174.880 177.300 -0.433 0.000 1.237 515 P CA -0.736 62.032 63.100 -0.554 0.000 0.793 515 P CB 0.339 31.816 31.700 -0.372 0.000 0.977 516 P HA 0.100 nan 4.420 nan 0.000 0.282 516 P C -0.216 176.982 177.300 -0.169 0.000 1.286 516 P CA -0.229 62.704 63.100 -0.278 0.000 0.777 516 P CB 0.190 31.730 31.700 -0.265 0.000 1.184 517 S N 0.038 115.689 115.700 -0.082 0.000 2.585 517 S HA 0.008 4.478 4.470 -0.000 0.000 0.273 517 S C 1.080 175.680 174.600 0.001 0.000 1.339 517 S CA -0.342 57.840 58.200 -0.030 0.000 1.028 517 S CB 0.439 63.641 63.200 0.002 0.000 0.906 517 S HN 0.529 nan 8.310 nan 0.000 0.528 518 D N 0.609 121.018 120.400 0.015 0.000 2.123 518 D HA -0.047 4.592 4.640 -0.000 0.000 0.200 518 D C 0.519 176.852 176.300 0.054 0.000 0.976 518 D CA 0.996 55.021 54.000 0.041 0.000 0.831 518 D CB 0.164 40.983 40.800 0.031 0.000 0.974 518 D HN 0.435 nan 8.370 nan 0.000 0.469 519 V N -1.826 118.117 119.914 0.050 0.000 2.925 519 V HA 0.293 4.412 4.120 -0.000 0.000 0.311 519 V C 0.727 176.877 176.094 0.094 0.000 1.104 519 V CA -1.040 61.302 62.300 0.070 0.000 0.954 519 V CB 1.300 33.147 31.823 0.040 0.000 1.022 519 V HN 0.025 nan 8.190 nan 0.000 0.427 520 Y N 3.953 124.276 120.300 0.039 0.000 2.114 520 Y HA 0.292 4.842 4.550 -0.000 0.000 0.284 520 Y C 0.437 176.358 175.900 0.036 0.000 1.143 520 Y CA 1.587 59.713 58.100 0.044 0.000 1.135 520 Y CB 0.194 38.686 38.460 0.054 0.000 0.980 520 Y HN 0.567 nan 8.280 nan 0.000 0.499 521 L N 0.166 121.286 121.223 -0.172 0.000 2.472 521 L HA 0.280 4.620 4.340 -0.000 0.000 0.260 521 L C -0.031 176.808 176.870 -0.051 0.000 0.963 521 L CA -0.721 53.986 54.840 -0.221 0.000 0.829 521 L CB 2.040 43.941 42.059 -0.262 0.000 1.348 521 L HN 0.122 nan 8.230 nan 0.000 0.408 522 S N 0.419 116.086 115.700 -0.055 0.000 2.625 522 S HA 0.216 4.686 4.470 -0.000 0.000 0.262 522 S C 0.989 175.589 174.600 0.001 0.000 1.223 522 S CA -0.073 58.117 58.200 -0.017 0.000 0.993 522 S CB 1.356 64.540 63.200 -0.026 0.000 1.051 522 S HN 0.560 nan 8.310 nan 0.000 0.562 523 S N -0.419 115.285 115.700 0.008 0.000 2.414 523 S HA 0.094 4.563 4.470 -0.000 0.000 0.227 523 S C 2.011 176.618 174.600 0.012 0.000 1.022 523 S CA 0.429 58.640 58.200 0.019 0.000 0.958 523 S CB -0.428 62.784 63.200 0.020 0.000 0.797 523 S HN 0.653 nan 8.310 nan 0.000 0.493 524 R N 0.933 121.430 120.500 -0.005 0.000 2.090 524 R HA -0.037 4.303 4.340 -0.000 0.000 0.228 524 R C 1.548 177.837 176.300 -0.018 0.000 1.110 524 R CA 1.395 57.486 56.100 -0.015 0.000 0.973 524 R CB -0.063 30.220 30.300 -0.029 0.000 0.869 524 R HN 0.326 nan 8.270 nan 0.000 0.440 525 D N 0.107 120.491 120.400 -0.027 0.000 2.081 525 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 525 D C 1.852 178.149 176.300 -0.004 0.000 0.986 525 D CA 0.889 54.866 54.000 -0.038 0.000 0.837 525 D CB -0.303 40.449 40.800 -0.080 0.000 0.985 525 D HN 0.023 nan 8.370 nan 0.000 0.448 526 R N 0.758 121.271 120.500 0.021 0.000 2.153 526 R HA -0.174 4.166 4.340 -0.000 0.000 0.252 526 R C 2.228 178.582 176.300 0.089 0.000 1.158 526 R CA 1.187 57.332 56.100 0.075 0.000 0.975 526 R CB -0.480 29.878 30.300 0.096 0.000 0.871 526 R HN 0.488 nan 8.270 nan 0.000 0.450 527 Q N -0.492 119.347 119.800 0.065 0.000 2.079 527 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 527 Q C 2.252 178.303 176.000 0.085 0.000 0.974 527 Q CA 1.190 57.038 55.803 0.075 0.000 0.840 527 Q CB -0.028 28.737 28.738 0.045 0.000 0.898 527 Q HN 0.340 nan 8.270 nan 0.000 0.430 528 I N 0.223 120.824 120.570 0.053 0.000 2.233 528 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 528 I C 2.216 178.425 176.117 0.154 0.000 1.093 528 I CA 0.439 61.780 61.300 0.069 0.000 1.380 528 I CB -0.176 37.825 38.000 0.002 0.000 1.067 528 I HN 0.187 nan 8.210 nan 0.000 0.413 529 L N 0.901 122.159 121.223 0.058 0.000 2.089 529 L HA -0.300 4.040 4.340 -0.000 0.000 0.213 529 L C 1.873 178.601 176.870 -0.237 0.000 1.079 529 L CA 2.025 56.804 54.840 -0.102 0.000 0.758 529 L CB -0.730 41.265 42.059 -0.108 0.000 0.891 529 L HN 0.205 nan 8.230 nan 0.000 0.433 530 D N -1.483 118.940 120.400 0.038 0.000 2.144 530 D HA -0.261 4.379 4.640 -0.000 0.000 0.199 530 D C 1.722 178.107 176.300 0.142 0.000 0.984 530 D CA 1.431 55.536 54.000 0.176 0.000 0.834 530 D CB -0.360 40.565 40.800 0.208 0.000 0.955 530 D HN 0.628 nan 8.370 nan 0.000 0.465 531 W N 1.130 122.403 121.300 -0.045 0.000 2.358 531 W HA -0.195 4.465 4.660 -0.000 0.000 0.303 531 W C 2.395 178.805 176.519 -0.182 0.000 1.208 531 W CA 1.544 58.860 57.345 -0.048 0.000 1.274 531 W CB -0.264 29.155 29.460 -0.069 0.000 1.138 531 W HN 0.103 nan 8.180 nan 0.000 0.515 532 H N -0.709 118.419 119.070 0.097 0.000 2.352 532 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 532 H C 2.046 177.016 175.328 -0.596 0.000 1.097 532 H CA 2.100 57.859 56.048 -0.483 0.000 1.311 532 H CB -0.903 28.222 29.762 -1.063 0.000 1.377 532 H HN 0.180 nan 8.280 nan 0.000 0.504 533 F N 0.973 120.852 119.950 -0.118 0.000 2.126 533 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 533 F C 2.863 178.536 175.800 -0.211 0.000 1.096 533 F CA 0.788 58.753 58.000 -0.058 0.000 1.255 533 F CB -1.111 37.895 39.000 0.010 0.000 0.997 533 F HN 0.118 nan 8.300 nan 0.000 0.479 534 A N 0.025 122.738 122.820 -0.179 0.000 1.883 534 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 534 A C 2.277 179.449 177.584 -0.688 0.000 1.186 534 A CA 1.966 53.650 52.037 -0.589 0.000 0.624 534 A CB -1.235 17.201 19.000 -0.939 0.000 0.822 534 A HN 0.494 nan 8.150 nan 0.000 0.444 535 N N -0.542 117.830 118.700 -0.546 0.000 2.061 535 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 535 N C 1.776 177.369 175.510 0.138 0.000 1.030 535 N CA 1.787 54.767 53.050 -0.116 0.000 0.856 535 N CB -0.190 38.062 38.487 -0.392 0.000 1.023 535 N HN 0.372 nan 8.380 nan 0.000 0.424 536 L N 2.136 123.398 121.223 0.065 0.000 2.046 536 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 536 L C 2.034 178.919 176.870 0.024 0.000 1.077 536 L CA 1.582 56.503 54.840 0.135 0.000 0.747 536 L CB -0.435 41.761 42.059 0.227 0.000 0.896 536 L HN 0.169 nan 8.230 nan 0.000 0.432 537 E N -1.049 119.120 120.200 -0.051 0.000 2.209 537 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 537 E C 2.002 178.569 176.600 -0.055 0.000 0.993 537 E CA 1.499 57.831 56.400 -0.112 0.000 0.819 537 E CB -0.384 29.211 29.700 -0.175 0.000 0.745 537 E HN 0.631 nan 8.360 nan 0.000 0.477 538 F N 1.837 121.725 119.950 -0.102 0.000 2.094 538 F HA 0.097 4.624 4.527 -0.000 0.000 0.291 538 F C 2.403 178.294 175.800 0.152 0.000 1.109 538 F CA 1.134 59.153 58.000 0.032 0.000 1.221 538 F CB -0.720 38.389 39.000 0.182 0.000 1.014 538 F HN -0.077 nan 8.300 nan 0.000 0.473 539 A N 0.763 123.170 122.820 -0.688 0.000 1.985 539 A HA -0.309 4.011 4.320 -0.000 0.000 0.223 539 A C 1.844 179.352 177.584 -0.128 0.000 1.189 539 A CA 2.319 54.050 52.037 -0.511 0.000 0.658 539 A CB -1.172 17.769 19.000 -0.098 0.000 0.820 539 A HN 0.716 nan 8.150 nan 0.000 0.464 540 N N -1.163 117.520 118.700 -0.027 0.000 2.203 540 N HA 0.314 5.054 4.740 -0.000 0.000 0.207 540 N C 0.513 176.020 175.510 -0.005 0.000 1.130 540 N CA 0.640 53.738 53.050 0.080 0.000 0.861 540 N CB 0.380 38.893 38.487 0.043 0.000 1.005 540 N HN 0.577 nan 8.380 nan 0.000 0.507 541 A N 1.166 123.930 122.820 -0.092 0.000 2.550 541 A HA -0.187 4.133 4.320 -0.000 0.000 0.298 541 A C 0.323 177.739 177.584 -0.281 0.000 1.485 541 A CA 1.627 53.488 52.037 -0.293 0.000 0.780 541 A CB -1.846 16.634 19.000 -0.866 0.000 1.045 541 A HN 0.328 nan 8.150 nan 0.000 0.423 542 T N -1.757 112.636 114.554 -0.269 0.000 3.033 542 T HA 0.487 4.837 4.350 -0.000 0.000 0.362 542 T C -3.334 171.187 174.700 -0.298 0.000 1.723 542 T CA -0.590 61.301 62.100 -0.349 0.000 1.110 542 T CB 1.236 69.665 68.868 -0.732 0.000 1.515 542 T HN 0.002 nan 8.240 nan 0.000 0.484 543 P HA 0.088 nan 4.420 nan 0.000 0.257 543 P C 1.223 178.381 177.300 -0.236 0.000 1.162 543 P CA 0.344 63.324 63.100 -0.201 0.000 0.762 543 P CB 0.144 31.755 31.700 -0.148 0.000 0.753 544 L N 2.455 123.537 121.223 -0.236 0.000 2.447 544 L HA -0.186 4.154 4.340 -0.000 0.000 0.225 544 L C 1.937 178.672 176.870 -0.226 0.000 1.148 544 L CA 1.650 56.327 54.840 -0.272 0.000 0.808 544 L CB -0.996 40.871 42.059 -0.319 0.000 0.928 544 L HN 0.404 nan 8.230 nan 0.000 0.448 545 S N -1.979 113.615 115.700 -0.178 0.000 2.562 545 S HA -0.068 4.402 4.470 -0.000 0.000 0.221 545 S C 1.779 176.327 174.600 -0.086 0.000 0.975 545 S CA 0.706 58.832 58.200 -0.124 0.000 0.918 545 S CB -0.357 62.783 63.200 -0.099 0.000 0.772 545 S HN 0.585 nan 8.310 nan 0.000 0.531 546 T N -0.421 114.069 114.554 -0.107 0.000 3.034 546 T HA 0.371 4.721 4.350 -0.000 0.000 0.248 546 T C 0.615 175.334 174.700 0.032 0.000 1.040 546 T CA -0.427 61.657 62.100 -0.027 0.000 1.107 546 T CB -0.648 68.191 68.868 -0.048 0.000 0.932 546 T HN 0.286 nan 8.240 nan 0.000 0.474 547 L N 2.954 124.123 121.223 -0.090 0.000 2.506 547 L HA 0.242 4.582 4.340 -0.000 0.000 0.281 547 L C 0.921 177.864 176.870 0.122 0.000 1.228 547 L CA -0.398 54.465 54.840 0.038 0.000 0.850 547 L CB 0.393 42.406 42.059 -0.076 0.000 1.110 547 L HN 0.253 nan 8.230 nan 0.000 0.496 548 S N 1.642 117.494 115.700 0.252 0.000 2.548 548 S HA 0.107 4.577 4.470 -0.000 0.000 0.277 548 S C 0.817 175.555 174.600 0.229 0.000 1.315 548 S CA -0.753 57.581 58.200 0.223 0.000 1.050 548 S CB 0.783 64.163 63.200 0.300 0.000 0.918 548 S HN 0.520 nan 8.310 nan 0.000 0.497 549 L N 5.600 126.886 121.223 0.105 0.000 1.955 549 L HA 0.032 4.371 4.340 -0.000 0.000 0.213 549 L C 2.459 179.391 176.870 0.103 0.000 1.072 549 L CA 2.007 56.904 54.840 0.096 0.000 0.755 549 L CB -0.828 41.219 42.059 -0.020 0.000 0.888 549 L HN 0.866 nan 8.230 nan 0.000 0.432 550 K N -2.062 118.270 120.400 -0.113 0.000 2.209 550 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 550 K C 1.252 177.592 176.600 -0.434 0.000 1.048 550 K CA 1.464 57.512 56.287 -0.398 0.000 0.940 550 K CB -0.000 32.109 32.500 -0.652 0.000 0.729 550 K HN 0.586 nan 8.250 nan 0.000 0.451 551 H N -2.151 117.006 119.070 0.145 0.000 3.440 551 H HA -0.029 4.527 4.556 -0.000 0.000 0.259 551 H C 1.422 176.802 175.328 0.088 0.000 1.120 551 H CA 0.154 56.259 56.048 0.095 0.000 1.191 551 H CB -0.212 29.620 29.762 0.116 0.000 1.537 551 H HN 0.376 nan 8.280 nan 0.000 0.547 552 W N 3.370 124.768 121.300 0.164 0.000 2.303 552 W HA -0.171 4.489 4.660 -0.000 0.000 0.287 552 W C -0.072 176.513 176.519 0.111 0.000 1.213 552 W CA 1.578 59.006 57.345 0.139 0.000 1.203 552 W CB -0.520 28.994 29.460 0.089 0.000 1.136 552 W HN 0.174 nan 8.180 nan 0.000 0.547 553 D N 0.904 120.810 120.400 -0.824 0.000 2.501 553 D HA -0.045 4.595 4.640 -0.000 0.000 0.224 553 D C 1.758 177.816 176.300 -0.403 0.000 1.202 553 D CA 0.431 53.891 54.000 -0.900 0.000 0.829 553 D CB -0.616 39.270 40.800 -1.524 0.000 1.023 553 D HN 0.309 nan 8.370 nan 0.000 0.499 554 Q N 1.534 121.223 119.800 -0.184 0.000 2.248 554 Q HA -0.238 4.102 4.340 -0.000 0.000 0.208 554 Q C 0.904 176.862 176.000 -0.070 0.000 0.984 554 Q CA 2.113 57.875 55.803 -0.068 0.000 0.875 554 Q CB -0.780 27.984 28.738 0.043 0.000 0.910 554 Q HN 0.318 nan 8.270 nan 0.000 0.433 555 D N -0.489 119.852 120.400 -0.099 0.000 2.325 555 D HA -0.018 4.622 4.640 -0.000 0.000 0.234 555 D C 0.152 176.385 176.300 -0.112 0.000 1.122 555 D CA 0.240 54.219 54.000 -0.036 0.000 0.850 555 D CB -0.095 40.633 40.800 -0.119 0.000 0.921 555 D HN 0.367 nan 8.370 nan 0.000 0.513 556 D N 0.599 120.870 120.400 -0.215 0.000 2.149 556 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 556 D C 1.157 177.291 176.300 -0.277 0.000 0.972 556 D CA 0.907 54.765 54.000 -0.236 0.000 0.835 556 D CB 0.240 40.884 40.800 -0.260 0.000 0.966 556 D HN 0.006 nan 8.370 nan 0.000 0.476 557 D N -0.558 119.559 120.400 -0.472 0.000 2.309 557 D HA -0.125 4.515 4.640 -0.000 0.000 0.212 557 D C 0.510 176.450 176.300 -0.601 0.000 0.968 557 D CA 0.654 54.280 54.000 -0.624 0.000 0.882 557 D CB -0.034 40.186 40.800 -0.965 0.000 0.918 557 D HN 0.362 nan 8.370 nan 0.000 0.503 558 F N 0.852 120.682 119.950 -0.200 0.000 2.684 558 F HA 0.243 4.770 4.527 -0.000 0.000 0.298 558 F C 0.818 176.448 175.800 -0.282 0.000 1.120 558 F CA -0.629 57.222 58.000 -0.248 0.000 1.332 558 F CB -0.185 38.509 39.000 -0.510 0.000 0.986 558 F HN -0.332 nan 8.300 nan 0.000 0.524 559 E N 0.613 120.758 120.200 -0.092 0.000 2.415 559 E HA 0.099 4.448 4.350 -0.000 0.000 0.262 559 E C -0.215 176.408 176.600 0.039 0.000 1.038 559 E CA -0.204 56.126 56.400 -0.117 0.000 0.921 559 E CB 0.665 30.359 29.700 -0.010 0.000 0.950 559 E HN -0.033 nan 8.360 nan 0.000 0.438 560 F N 0.575 120.570 119.950 0.075 0.000 2.435 560 F HA 0.122 4.649 4.527 -0.000 0.000 0.316 560 F C 1.295 177.175 175.800 0.134 0.000 1.220 560 F CA -0.764 57.277 58.000 0.068 0.000 1.241 560 F CB 0.227 39.218 39.000 -0.014 0.000 1.234 560 F HN 0.270 nan 8.300 nan 0.000 0.569 561 T N -1.247 113.537 114.554 0.384 0.000 2.895 561 T HA 0.788 5.137 4.350 -0.000 0.000 0.283 561 T C -0.178 174.669 174.700 0.246 0.000 1.014 561 T CA -0.090 62.183 62.100 0.289 0.000 1.037 561 T CB 1.411 70.450 68.868 0.286 0.000 1.006 561 T HN 1.415 nan 8.240 nan 0.000 0.468 562 G N 1.390 110.314 108.800 0.207 0.000 2.497 562 G HA2 0.239 4.199 3.960 -0.000 0.000 0.686 562 G HA3 0.239 4.199 3.960 -0.000 0.000 0.686 562 G C -0.555 174.480 174.900 0.225 0.000 1.288 562 G CA -0.577 44.630 45.100 0.179 0.000 0.899 562 G HN 1.248 nan 8.290 nan 0.000 0.608 563 S N 0.413 116.224 115.700 0.186 0.000 2.580 563 S HA 0.489 4.959 4.470 -0.000 0.000 0.274 563 S C 0.500 175.287 174.600 0.311 0.000 1.329 563 S CA -0.526 57.798 58.200 0.208 0.000 1.036 563 S CB 0.670 63.952 63.200 0.136 0.000 0.919 563 S HN 0.641 nan 8.310 nan 0.000 0.515 564 H N 0.440 119.587 119.070 0.128 0.000 2.757 564 H HA 0.332 4.887 4.556 -0.000 0.000 0.370 564 H C -0.642 174.755 175.328 0.115 0.000 1.172 564 H CA -0.235 55.897 56.048 0.141 0.000 1.426 564 H CB 0.324 30.191 29.762 0.175 0.000 1.438 564 H HN 0.280 nan 8.280 nan 0.000 0.612 565 L N 0.578 121.909 121.223 0.179 0.000 2.409 565 L HA 0.283 4.623 4.340 -0.000 0.000 0.255 565 L C 0.015 176.911 176.870 0.043 0.000 1.027 565 L CA -0.675 54.223 54.840 0.097 0.000 0.834 565 L CB 2.384 44.474 42.059 0.052 0.000 1.426 565 L HN 0.706 nan 8.230 nan 0.000 0.411 566 T N -1.885 112.674 114.554 0.009 0.000 2.888 566 T HA 0.688 5.038 4.350 -0.000 0.000 0.284 566 T C -0.546 174.112 174.700 -0.070 0.000 1.017 566 T CA -0.755 61.315 62.100 -0.051 0.000 1.022 566 T CB 1.581 70.395 68.868 -0.090 0.000 1.013 566 T HN 0.217 nan 8.240 nan 0.000 0.465 567 V N 4.055 123.906 119.914 -0.106 0.000 2.267 567 V HA 0.296 4.416 4.120 -0.000 0.000 0.254 567 V C 1.778 177.913 176.094 0.069 0.000 1.144 567 V CA -0.514 61.722 62.300 -0.106 0.000 0.992 567 V CB -0.200 31.424 31.823 -0.331 0.000 1.199 567 V HN 0.933 nan 8.190 nan 0.000 0.493 568 R N 3.469 124.023 120.500 0.090 0.000 2.127 568 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 568 R C 1.784 178.222 176.300 0.230 0.000 1.134 568 R CA 1.774 57.995 56.100 0.202 0.000 0.975 568 R CB 0.082 30.464 30.300 0.136 0.000 0.865 568 R HN 0.868 nan 8.270 nan 0.000 0.447 569 N N -0.285 118.490 118.700 0.125 0.000 2.322 569 N HA 0.095 4.834 4.740 -0.000 0.000 0.216 569 N C -0.298 175.258 175.510 0.076 0.000 1.144 569 N CA 0.761 53.861 53.050 0.084 0.000 0.830 569 N CB 0.421 38.941 38.487 0.055 0.000 1.034 569 N HN 0.228 nan 8.380 nan 0.000 0.484 570 G N 0.133 109.005 108.800 0.120 0.000 2.999 570 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.686 570 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.686 570 G C -0.236 174.771 174.900 0.177 0.000 1.057 570 G CA -0.387 44.793 45.100 0.133 0.000 0.784 570 G HN 0.130 nan 8.290 nan 0.000 0.575 571 Y N 2.198 122.554 120.300 0.093 0.000 2.403 571 Y HA -0.121 4.429 4.550 -0.000 0.000 0.291 571 Y C 3.050 178.986 175.900 0.060 0.000 1.143 571 Y CA 2.100 60.245 58.100 0.075 0.000 1.257 571 Y CB -0.301 38.203 38.460 0.074 0.000 0.984 571 Y HN 1.037 nan 8.280 nan 0.000 0.550 572 S N -0.817 115.016 115.700 0.222 0.000 2.400 572 S HA -0.270 4.200 4.470 -0.000 0.000 0.232 572 S C 2.351 177.015 174.600 0.106 0.000 1.025 572 S CA 1.262 59.537 58.200 0.124 0.000 0.993 572 S CB -1.799 61.455 63.200 0.089 0.000 0.808 572 S HN 0.649 nan 8.310 nan 0.000 0.478 573 C N 0.623 119.994 119.300 0.118 0.000 2.395 573 C HA -0.025 4.435 4.460 -0.000 0.000 0.287 573 C C 2.200 177.249 174.990 0.098 0.000 1.281 573 C CA 0.465 59.538 59.018 0.092 0.000 1.818 573 C CB -1.959 25.834 27.740 0.088 0.000 1.990 573 C HN 0.457 nan 8.230 nan 0.000 0.516 574 V N 1.812 121.810 119.914 0.141 0.000 2.341 574 V HA 0.037 4.157 4.120 -0.000 0.000 0.240 574 V C 0.384 176.509 176.094 0.052 0.000 1.035 574 V CA 1.908 64.280 62.300 0.119 0.000 1.033 574 V CB -1.507 30.433 31.823 0.194 0.000 0.678 574 V HN 0.229 nan 8.190 nan 0.000 0.464 575 P HA -0.151 nan 4.420 nan 0.000 0.216 575 P C 1.948 179.248 177.300 0.001 0.000 1.154 575 P CA 1.559 64.656 63.100 -0.006 0.000 0.865 575 P CB -0.151 31.539 31.700 -0.017 0.000 0.789 576 V N 0.398 120.320 119.914 0.014 0.000 2.295 576 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 576 V C 2.626 178.722 176.094 0.002 0.000 1.049 576 V CA 2.288 64.592 62.300 0.006 0.000 1.024 576 V CB -1.782 30.049 31.823 0.013 0.000 0.648 576 V HN 0.111 nan 8.190 nan 0.000 0.447 577 A N -0.293 122.536 122.820 0.015 0.000 1.917 577 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 577 A C 2.220 179.801 177.584 -0.005 0.000 1.182 577 A CA 2.105 54.148 52.037 0.010 0.000 0.633 577 A CB -0.580 18.438 19.000 0.029 0.000 0.819 577 A HN 0.522 nan 8.150 nan 0.000 0.448 578 L N -1.107 120.114 121.223 -0.004 0.000 2.109 578 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 578 L C 2.970 179.815 176.870 -0.041 0.000 1.086 578 L CA 0.829 55.656 54.840 -0.021 0.000 0.760 578 L CB -0.461 41.589 42.059 -0.014 0.000 0.910 578 L HN 0.424 nan 8.230 nan 0.000 0.437 579 A N -0.849 121.949 122.820 -0.036 0.000 2.125 579 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 579 A C 1.263 178.819 177.584 -0.048 0.000 1.156 579 A CA 0.563 52.573 52.037 -0.045 0.000 0.671 579 A CB -0.445 18.532 19.000 -0.038 0.000 0.794 579 A HN 0.344 nan 8.150 nan 0.000 0.459 580 E N -0.045 120.128 120.200 -0.044 0.000 2.299 580 E HA 0.331 4.681 4.350 -0.000 0.000 0.272 580 E C 0.831 177.397 176.600 -0.056 0.000 1.043 580 E CA 0.665 57.039 56.400 -0.043 0.000 0.895 580 E CB 0.055 29.734 29.700 -0.035 0.000 1.011 580 E HN 0.675 nan 8.360 nan 0.000 0.432 581 G N 4.034 112.803 108.800 -0.051 0.000 2.163 581 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.213 581 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.213 581 G C -0.046 174.820 174.900 -0.058 0.000 0.991 581 G CA 0.025 45.092 45.100 -0.055 0.000 0.653 581 G HN 0.449 nan 8.290 nan 0.000 0.518 582 L N 0.429 121.617 121.223 -0.058 0.000 2.354 582 L HA 0.510 4.850 4.340 -0.000 0.000 0.269 582 L C -0.675 176.159 176.870 -0.059 0.000 1.005 582 L CA -1.016 53.785 54.840 -0.064 0.000 0.819 582 L CB 1.802 43.816 42.059 -0.075 0.000 1.311 582 L HN 0.019 nan 8.230 nan 0.000 0.423 583 D N 3.042 123.406 120.400 -0.061 0.000 2.383 583 D HA 0.339 4.979 4.640 -0.000 0.000 0.245 583 D C -0.635 175.618 176.300 -0.079 0.000 1.263 583 D CA 0.209 54.175 54.000 -0.056 0.000 0.936 583 D CB 0.033 40.807 40.800 -0.044 0.000 1.053 583 D HN 0.211 nan 8.370 nan 0.000 0.507 584 I N 3.940 124.463 120.570 -0.079 0.000 2.382 584 I HA 0.194 4.364 4.170 -0.000 0.000 0.286 584 I C 0.274 176.326 176.117 -0.109 0.000 1.002 584 I CA -0.890 60.349 61.300 -0.102 0.000 1.135 584 I CB 1.511 39.456 38.000 -0.092 0.000 1.288 584 I HN -0.167 nan 8.210 nan 0.000 0.448 585 K N 7.877 128.187 120.400 -0.150 0.000 2.231 585 K HA 0.463 4.782 4.320 -0.000 0.000 0.275 585 K C -0.459 176.028 176.600 -0.190 0.000 1.105 585 K CA -0.333 55.854 56.287 -0.167 0.000 0.931 585 K CB 0.745 33.117 32.500 -0.213 0.000 1.296 585 K HN 0.536 nan 8.250 nan 0.000 0.446 586 L N 1.723 122.856 121.223 -0.151 0.000 2.466 586 L HA 0.165 4.505 4.340 -0.000 0.000 0.257 586 L C 0.894 177.661 176.870 -0.171 0.000 1.189 586 L CA -0.513 54.236 54.840 -0.153 0.000 0.813 586 L CB 0.146 42.142 42.059 -0.106 0.000 1.118 586 L HN 0.655 nan 8.230 nan 0.000 0.471 587 N N -0.132 118.459 118.700 -0.181 0.000 2.735 587 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 587 N C -0.682 174.701 175.510 -0.212 0.000 1.083 587 N CA 0.983 53.930 53.050 -0.172 0.000 0.703 587 N CB -1.369 37.060 38.487 -0.097 0.000 1.005 587 N HN 0.729 nan 8.380 nan 0.000 0.550 588 T N -0.196 114.191 114.554 -0.279 0.000 2.934 588 T HA 0.557 4.907 4.350 -0.000 0.000 0.328 588 T C 0.211 174.741 174.700 -0.283 0.000 1.068 588 T CA -0.460 61.464 62.100 -0.294 0.000 1.018 588 T CB 1.638 70.295 68.868 -0.352 0.000 1.009 588 T HN 0.335 nan 8.240 nan 0.000 0.471 589 A N 3.647 126.339 122.820 -0.214 0.000 2.391 589 A HA 0.593 4.912 4.320 -0.000 0.000 0.316 589 A C 0.543 178.071 177.584 -0.093 0.000 1.381 589 A CA -0.546 51.361 52.037 -0.218 0.000 0.998 589 A CB -0.109 18.819 19.000 -0.120 0.000 1.147 589 A HN 0.717 nan 8.150 nan 0.000 0.545 590 V N 4.265 124.111 119.914 -0.114 0.000 2.644 590 V HA -0.029 4.091 4.120 -0.000 0.000 0.305 590 V C 1.325 177.403 176.094 -0.026 0.000 1.053 590 V CA 0.727 62.988 62.300 -0.064 0.000 1.186 590 V CB 0.153 31.922 31.823 -0.091 0.000 0.895 590 V HN 0.993 nan 8.190 nan 0.000 0.490 591 R N 2.482 122.972 120.500 -0.016 0.000 2.342 591 R HA 0.252 4.592 4.340 -0.000 0.000 0.204 591 R C 0.452 176.709 176.300 -0.071 0.000 0.882 591 R CA 0.087 56.177 56.100 -0.017 0.000 1.041 591 R CB 0.835 31.147 30.300 0.020 0.000 1.188 591 R HN 0.754 nan 8.270 nan 0.000 0.598 592 Q N 0.774 120.530 119.800 -0.073 0.000 2.289 592 Q HA 0.370 4.710 4.340 -0.000 0.000 0.270 592 Q C -1.747 174.190 176.000 -0.104 0.000 1.038 592 Q CA -0.435 55.302 55.803 -0.109 0.000 0.812 592 Q CB 2.993 31.704 28.738 -0.045 0.000 1.300 592 Q HN -0.142 nan 8.270 nan 0.000 0.427 593 V N 4.401 124.208 119.914 -0.178 0.000 2.378 593 V HA 0.545 4.665 4.120 -0.000 0.000 0.288 593 V C -0.677 175.518 176.094 0.169 0.000 1.016 593 V CA -0.671 61.627 62.300 -0.003 0.000 0.840 593 V CB 1.238 33.064 31.823 0.004 0.000 0.994 593 V HN 0.707 nan 8.190 nan 0.000 0.431 594 R N 4.437 125.031 120.500 0.156 0.000 2.562 594 R HA 0.823 5.163 4.340 -0.000 0.000 0.298 594 R C -1.475 174.924 176.300 0.166 0.000 0.961 594 R CA -0.832 55.327 56.100 0.099 0.000 0.881 594 R CB 1.638 31.939 30.300 0.002 0.000 1.159 594 R HN 0.710 nan 8.270 nan 0.000 0.450 595 Y N -1.373 118.970 120.300 0.072 0.000 2.441 595 Y HA 0.696 5.246 4.550 -0.000 0.000 0.334 595 Y C -1.112 174.821 175.900 0.055 0.000 1.061 595 Y CA -0.979 57.161 58.100 0.066 0.000 1.032 595 Y CB 2.005 40.507 38.460 0.070 0.000 1.266 595 Y HN 0.890 nan 8.280 nan 0.000 0.441 596 T N -1.101 113.507 114.554 0.090 0.000 2.843 596 T HA 0.646 4.996 4.350 -0.000 0.000 0.302 596 T C 0.852 175.607 174.700 0.091 0.000 1.232 596 T CA -0.531 61.589 62.100 0.033 0.000 1.009 596 T CB 1.416 70.285 68.868 0.003 0.000 1.254 596 T HN 1.289 nan 8.240 nan 0.000 0.504 597 A N 1.237 124.098 122.820 0.067 0.000 2.067 597 A HA -0.113 4.207 4.320 -0.000 0.000 0.224 597 A C 2.123 179.756 177.584 0.082 0.000 1.172 597 A CA 2.657 54.737 52.037 0.072 0.000 0.662 597 A CB -1.327 17.701 19.000 0.046 0.000 0.814 597 A HN 1.520 nan 8.150 nan 0.000 0.468 598 S N -3.081 112.665 115.700 0.076 0.000 2.559 598 S HA 0.532 5.002 4.470 -0.000 0.000 0.226 598 S C 0.730 175.388 174.600 0.097 0.000 1.000 598 S CA 0.609 58.856 58.200 0.079 0.000 0.948 598 S CB 0.201 63.433 63.200 0.055 0.000 0.870 598 S HN 1.887 nan 8.310 nan 0.000 0.497 599 G N -0.011 108.856 108.800 0.113 0.000 2.357 599 G HA2 0.301 4.260 3.960 -0.000 0.000 0.289 599 G HA3 0.301 4.260 3.960 -0.000 0.000 0.289 599 G C -1.531 173.444 174.900 0.125 0.000 1.302 599 G CA -0.402 44.771 45.100 0.122 0.000 0.936 599 G HN 0.654 nan 8.290 nan 0.000 0.513 600 C N 0.118 119.489 119.300 0.118 0.000 2.626 600 C HA 0.853 5.313 4.460 -0.000 0.000 0.310 600 C C -0.293 174.759 174.990 0.103 0.000 1.191 600 C CA -0.942 58.157 59.018 0.135 0.000 1.517 600 C CB 1.011 28.847 27.740 0.160 0.000 2.102 600 C HN 0.966 nan 8.230 nan 0.000 0.479 601 E N 0.826 121.086 120.200 0.100 0.000 2.238 601 E HA 0.757 5.107 4.350 -0.000 0.000 0.267 601 E C -1.619 175.044 176.600 0.106 0.000 0.887 601 E CA -0.660 55.798 56.400 0.097 0.000 0.769 601 E CB 1.807 31.547 29.700 0.068 0.000 1.187 601 E HN 0.350 nan 8.360 nan 0.000 0.416 602 V N 3.588 123.583 119.914 0.135 0.000 2.448 602 V HA 0.360 4.480 4.120 -0.000 0.000 0.295 602 V C -0.382 175.818 176.094 0.177 0.000 1.025 602 V CA -0.702 61.671 62.300 0.122 0.000 0.859 602 V CB 1.204 33.081 31.823 0.089 0.000 0.988 602 V HN 0.611 nan 8.190 nan 0.000 0.431 603 I N 4.414 125.052 120.570 0.113 0.000 2.330 603 I HA 0.779 4.949 4.170 -0.000 0.000 0.289 603 I C 0.345 176.535 176.117 0.123 0.000 1.001 603 I CA -0.140 61.239 61.300 0.131 0.000 1.193 603 I CB 1.544 39.587 38.000 0.072 0.000 1.345 603 I HN 0.675 nan 8.210 nan 0.000 0.461 604 A N 5.844 128.786 122.820 0.203 0.000 2.387 604 A HA 0.955 5.275 4.320 -0.000 0.000 0.303 604 A C -0.448 177.266 177.584 0.216 0.000 1.145 604 A CA -0.604 51.519 52.037 0.142 0.000 0.801 604 A CB 1.879 20.924 19.000 0.075 0.000 1.342 604 A HN 0.635 nan 8.150 nan 0.000 0.440 605 V N -1.125 118.876 119.914 0.145 0.000 3.155 605 V HA 0.728 4.848 4.120 -0.000 0.000 0.313 605 V C -0.436 175.736 176.094 0.129 0.000 1.162 605 V CA -1.052 61.375 62.300 0.212 0.000 1.048 605 V CB 1.790 33.699 31.823 0.144 0.000 1.092 605 V HN 0.889 nan 8.190 nan 0.000 0.447 606 N N 0.809 119.624 118.700 0.192 0.000 2.419 606 N HA 0.327 5.067 4.740 -0.000 0.000 0.264 606 N C 1.149 176.702 175.510 0.073 0.000 1.031 606 N CA 0.437 53.549 53.050 0.103 0.000 0.951 606 N CB 1.531 40.139 38.487 0.201 0.000 1.101 606 N HN 0.968 nan 8.380 nan 0.000 0.488 607 T N 1.290 115.861 114.554 0.028 0.000 2.881 607 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 607 T C 1.542 176.291 174.700 0.081 0.000 1.068 607 T CA 1.112 63.255 62.100 0.071 0.000 1.131 607 T CB -0.066 68.840 68.868 0.064 0.000 0.871 607 T HN 0.457 nan 8.240 nan 0.000 0.479 608 R N 1.906 122.442 120.500 0.060 0.000 2.052 608 R HA 0.110 4.450 4.340 -0.000 0.000 0.226 608 R C 1.239 177.574 176.300 0.059 0.000 1.145 608 R CA 1.244 57.377 56.100 0.056 0.000 0.952 608 R CB -0.106 30.221 30.300 0.044 0.000 0.847 608 R HN 0.507 nan 8.270 nan 0.000 0.431 609 S N 0.122 115.862 115.700 0.067 0.000 2.594 609 S HA 0.115 4.585 4.470 -0.000 0.000 0.322 609 S C 0.562 175.208 174.600 0.077 0.000 1.085 609 S CA -0.681 57.557 58.200 0.063 0.000 1.116 609 S CB 1.585 64.816 63.200 0.051 0.000 0.979 609 S HN 0.305 nan 8.310 nan 0.000 0.465 610 T N 0.008 114.604 114.554 0.070 0.000 3.148 610 T HA -0.014 4.336 4.350 -0.000 0.000 0.253 610 T C 1.509 176.251 174.700 0.069 0.000 1.134 610 T CA 0.753 62.901 62.100 0.080 0.000 1.051 610 T CB -0.598 68.317 68.868 0.078 0.000 0.959 610 T HN 0.740 nan 8.240 nan 0.000 0.525 611 S N -0.377 115.355 115.700 0.052 0.000 2.501 611 S HA 0.129 4.598 4.470 -0.000 0.000 0.220 611 S C 1.119 175.735 174.600 0.028 0.000 0.997 611 S CA -0.370 57.851 58.200 0.034 0.000 0.919 611 S CB -0.356 62.855 63.200 0.019 0.000 0.778 611 S HN 0.477 nan 8.310 nan 0.000 0.523 612 Q N 2.728 122.557 119.800 0.048 0.000 2.381 612 Q HA 0.233 4.573 4.340 -0.000 0.000 0.243 612 Q C -0.848 175.178 176.000 0.044 0.000 1.154 612 Q CA 0.282 56.099 55.803 0.024 0.000 0.899 612 Q CB 0.248 29.027 28.738 0.068 0.000 1.396 612 Q HN 0.334 nan 8.270 nan 0.000 0.485 613 T N 3.467 117.971 114.554 -0.082 0.000 2.922 613 T HA 0.552 4.902 4.350 -0.000 0.000 0.285 613 T C -0.514 174.026 174.700 -0.265 0.000 1.005 613 T CA -0.064 62.019 62.100 -0.029 0.000 1.061 613 T CB 0.447 69.300 68.868 -0.025 0.000 1.007 613 T HN 0.291 nan 8.240 nan 0.000 0.502 614 F N 1.248 121.195 119.950 -0.007 0.000 2.576 614 F HA 0.628 5.154 4.527 -0.000 0.000 0.313 614 F C -0.275 175.475 175.800 -0.084 0.000 1.078 614 F CA -1.159 56.803 58.000 -0.063 0.000 0.921 614 F CB 1.669 40.700 39.000 0.053 0.000 1.232 614 F HN 0.181 nan 8.300 nan 0.000 0.459 615 I N 2.657 123.161 120.570 -0.111 0.000 2.533 615 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 615 I C -1.541 174.386 176.117 -0.316 0.000 1.056 615 I CA -0.849 60.400 61.300 -0.085 0.000 1.057 615 I CB 2.105 40.070 38.000 -0.059 0.000 1.240 615 I HN 0.530 nan 8.210 nan 0.000 0.423 616 Y N 4.508 124.839 120.300 0.052 0.000 2.350 616 Y HA 0.401 4.951 4.550 -0.000 0.000 0.338 616 Y C 0.193 176.106 175.900 0.021 0.000 0.961 616 Y CA -0.834 57.286 58.100 0.033 0.000 1.100 616 Y CB 1.801 40.272 38.460 0.018 0.000 1.179 616 Y HN 0.269 nan 8.280 nan 0.000 0.454 617 K N 3.528 124.006 120.400 0.130 0.000 2.159 617 K HA 0.742 5.062 4.320 -0.000 0.000 0.266 617 K C -0.637 176.011 176.600 0.079 0.000 0.975 617 K CA -0.307 56.030 56.287 0.083 0.000 0.865 617 K CB 1.444 33.970 32.500 0.043 0.000 1.087 617 K HN 0.900 nan 8.250 nan 0.000 0.446 618 C N -0.880 118.456 119.300 0.060 0.000 3.303 618 C HA 0.347 4.807 4.460 -0.000 0.000 0.340 618 C C 0.816 175.814 174.990 0.015 0.000 1.274 618 C CA -0.867 58.165 59.018 0.023 0.000 1.234 618 C CB 0.967 28.709 27.740 0.004 0.000 1.532 618 C HN 0.832 nan 8.230 nan 0.000 0.483 619 D N 1.099 121.471 120.400 -0.046 0.000 2.149 619 D HA 0.220 4.860 4.640 -0.000 0.000 0.201 619 D C 0.841 177.092 176.300 -0.082 0.000 0.972 619 D CA 2.138 56.105 54.000 -0.055 0.000 0.835 619 D CB 0.282 40.956 40.800 -0.209 0.000 0.966 619 D HN 1.050 nan 8.370 nan 0.000 0.476 620 A N 0.208 122.924 122.820 -0.174 0.000 2.549 620 A HA 0.539 4.859 4.320 -0.000 0.000 0.297 620 A C -1.111 176.450 177.584 -0.039 0.000 1.061 620 A CA -0.581 51.412 52.037 -0.074 0.000 0.690 620 A CB 2.105 20.932 19.000 -0.289 0.000 1.287 620 A HN -0.093 nan 8.150 nan 0.000 0.402 621 V N 1.993 121.937 119.914 0.049 0.000 2.448 621 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 621 V C -0.825 175.273 176.094 0.006 0.000 1.025 621 V CA -0.474 61.826 62.300 0.000 0.000 0.859 621 V CB 1.359 33.187 31.823 0.007 0.000 0.988 621 V HN 0.811 nan 8.190 nan 0.000 0.431 622 L N 5.974 127.166 121.223 -0.052 0.000 2.265 622 L HA 0.590 4.930 4.340 -0.000 0.000 0.289 622 L C -0.223 176.606 176.870 -0.068 0.000 1.033 622 L CA 0.046 54.849 54.840 -0.062 0.000 0.814 622 L CB 0.910 42.916 42.059 -0.089 0.000 1.203 622 L HN 0.865 nan 8.230 nan 0.000 0.423 623 C N 4.225 123.461 119.300 -0.107 0.000 2.265 623 C HA 0.596 5.056 4.460 -0.000 0.000 0.332 623 C C 1.388 176.463 174.990 0.141 0.000 1.248 623 C CA 0.209 59.241 59.018 0.024 0.000 1.727 623 C CB -0.377 27.390 27.740 0.044 0.000 2.348 623 C HN 0.973 nan 8.230 nan 0.000 0.519 624 T N 4.134 118.755 114.554 0.113 0.000 3.228 624 T HA 0.279 4.629 4.350 -0.000 0.000 0.278 624 T C 0.191 174.993 174.700 0.169 0.000 1.014 624 T CA -0.310 61.869 62.100 0.132 0.000 0.904 624 T CB -0.495 68.402 68.868 0.049 0.000 1.110 624 T HN 0.659 nan 8.240 nan 0.000 0.541 625 L N 2.324 123.657 121.223 0.183 0.000 2.540 625 L HA 0.274 4.614 4.340 -0.000 0.000 0.276 625 L C -2.062 174.866 176.870 0.097 0.000 1.212 625 L CA -1.773 53.146 54.840 0.132 0.000 0.893 625 L CB -0.156 41.981 42.059 0.130 0.000 1.138 625 L HN 0.060 nan 8.230 nan 0.000 0.491 626 P HA -0.124 nan 4.420 nan 0.000 0.266 626 P C 0.453 177.423 177.300 -0.550 0.000 1.193 626 P CA -0.176 62.831 63.100 -0.154 0.000 0.770 626 P CB 0.554 32.221 31.700 -0.056 0.000 0.836 627 L N 4.027 124.630 121.223 -1.033 0.000 2.083 627 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 627 L C 2.181 178.471 176.870 -0.967 0.000 1.083 627 L CA 2.491 56.658 54.840 -1.121 0.000 0.752 627 L CB -1.641 39.793 42.059 -1.042 0.000 0.899 627 L HN 0.505 nan 8.230 nan 0.000 0.433 628 G N -0.761 107.118 108.800 -1.535 0.000 2.469 628 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 628 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 628 G C 1.502 176.230 174.900 -0.286 0.000 1.150 628 G CA 1.287 45.969 45.100 -0.696 0.000 0.763 628 G HN 0.362 nan 8.290 nan 0.000 0.561 629 V N 0.951 120.713 119.914 -0.255 0.000 2.270 629 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 629 V C 2.863 178.899 176.094 -0.097 0.000 1.043 629 V CA 1.476 63.721 62.300 -0.092 0.000 1.014 629 V CB -0.537 31.287 31.823 0.002 0.000 0.645 629 V HN 0.350 nan 8.190 nan 0.000 0.447 630 L N -0.454 120.675 121.223 -0.157 0.000 2.351 630 L HA -0.219 4.121 4.340 -0.000 0.000 0.220 630 L C 2.404 179.204 176.870 -0.117 0.000 1.127 630 L CA 1.489 56.266 54.840 -0.104 0.000 0.786 630 L CB -0.539 41.398 42.059 -0.203 0.000 0.914 630 L HN 0.337 nan 8.230 nan 0.000 0.443 631 K N -0.601 119.701 120.400 -0.163 0.000 2.361 631 K HA 0.014 4.334 4.320 -0.000 0.000 0.196 631 K C 0.565 177.124 176.600 -0.070 0.000 1.039 631 K CA -0.015 56.195 56.287 -0.129 0.000 1.001 631 K CB 0.196 32.608 32.500 -0.147 0.000 0.795 631 K HN 0.349 nan 8.250 nan 0.000 0.495 632 Q N 1.220 120.989 119.800 -0.051 0.000 2.315 632 Q HA -0.044 4.296 4.340 -0.000 0.000 0.289 632 Q C -0.594 175.393 176.000 -0.022 0.000 1.044 632 Q CA 0.695 56.479 55.803 -0.031 0.000 0.920 632 Q CB 0.694 29.418 28.738 -0.024 0.000 1.214 632 Q HN -0.068 nan 8.270 nan 0.000 0.392 633 Q N 2.998 122.786 119.800 -0.020 0.000 2.325 633 Q HA 0.411 4.751 4.340 -0.000 0.000 0.270 633 Q C -2.286 173.705 176.000 -0.015 0.000 1.020 633 Q CA -1.519 54.275 55.803 -0.016 0.000 0.785 633 Q CB 1.449 30.177 28.738 -0.016 0.000 1.259 633 Q HN 0.389 nan 8.270 nan 0.000 0.452 634 P HA 0.554 nan 4.420 nan 0.000 0.283 634 P C -2.647 174.649 177.300 -0.006 0.000 1.278 634 P CA -1.831 61.265 63.100 -0.008 0.000 0.834 634 P CB 0.019 31.715 31.700 -0.006 0.000 1.150 635 P HA -0.007 nan 4.420 nan 0.000 0.264 635 P C 0.133 177.434 177.300 0.001 0.000 1.179 635 P CA 0.360 63.464 63.100 0.007 0.000 0.763 635 P CB 0.244 31.954 31.700 0.016 0.000 0.806 636 A N 2.726 125.550 122.820 0.006 0.000 2.095 636 A HA 0.182 4.502 4.320 -0.000 0.000 0.212 636 A C 0.487 178.076 177.584 0.008 0.000 1.162 636 A CA 0.811 52.860 52.037 0.020 0.000 0.753 636 A CB 0.136 19.164 19.000 0.047 0.000 0.840 636 A HN 0.402 nan 8.150 nan 0.000 0.468 637 V N 0.955 120.847 119.914 -0.036 0.000 2.577 637 V HA 0.258 4.378 4.120 -0.000 0.000 0.303 637 V C -0.612 175.346 176.094 -0.226 0.000 1.042 637 V CA -0.751 61.457 62.300 -0.152 0.000 0.872 637 V CB 1.683 33.373 31.823 -0.221 0.000 0.998 637 V HN 0.446 nan 8.190 nan 0.000 0.423 638 Q N 2.948 122.609 119.800 -0.232 0.000 2.267 638 Q HA 0.479 4.819 4.340 -0.000 0.000 0.255 638 Q C -1.496 174.317 176.000 -0.311 0.000 0.923 638 Q CA -0.215 55.489 55.803 -0.166 0.000 0.925 638 Q CB 1.367 30.059 28.738 -0.076 0.000 1.195 638 Q HN 0.610 nan 8.270 nan 0.000 0.417 639 F N 1.790 121.781 119.950 0.069 0.000 2.420 639 F HA 0.327 4.854 4.527 -0.000 0.000 0.342 639 F C 0.065 175.916 175.800 0.085 0.000 1.113 639 F CA -0.668 57.410 58.000 0.130 0.000 1.059 639 F CB 1.395 40.493 39.000 0.164 0.000 1.128 639 F HN 0.127 nan 8.300 nan 0.000 0.475 640 V N 5.866 125.911 119.914 0.217 0.000 2.357 640 V HA 0.344 4.464 4.120 -0.000 0.000 0.281 640 V C -2.160 173.718 176.094 -0.360 0.000 1.015 640 V CA -1.696 60.595 62.300 -0.015 0.000 0.827 640 V CB 1.370 33.175 31.823 -0.030 0.000 1.018 640 V HN 0.503 nan 8.190 nan 0.000 0.432 641 P HA 0.421 nan 4.420 nan 0.000 0.279 641 P C -2.838 174.517 177.300 0.092 0.000 1.276 641 P CA -2.162 60.871 63.100 -0.112 0.000 0.801 641 P CB 0.128 31.758 31.700 -0.117 0.000 1.127 642 P HA 0.082 nan 4.420 nan 0.000 0.268 642 P C -0.150 177.193 177.300 0.073 0.000 1.208 642 P CA 0.311 63.478 63.100 0.113 0.000 0.777 642 P CB 0.162 31.888 31.700 0.043 0.000 0.875 643 L N 3.867 125.076 121.223 -0.023 0.000 2.426 643 L HA 0.199 4.539 4.340 -0.000 0.000 0.271 643 L C -1.506 175.205 176.870 -0.264 0.000 1.169 643 L CA -1.774 52.931 54.840 -0.224 0.000 0.836 643 L CB -0.361 41.439 42.059 -0.432 0.000 1.112 643 L HN 0.298 nan 8.230 nan 0.000 0.465 644 P HA -0.069 nan 4.420 nan 0.000 0.266 644 P C 0.083 177.096 177.300 -0.478 0.000 1.193 644 P CA -0.136 62.723 63.100 -0.402 0.000 0.770 644 P CB 0.655 31.986 31.700 -0.614 0.000 0.836 645 E N 4.361 124.426 120.200 -0.224 0.000 2.160 645 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 645 E C 1.853 178.380 176.600 -0.122 0.000 0.991 645 E CA 1.424 57.737 56.400 -0.145 0.000 0.810 645 E CB -1.024 28.653 29.700 -0.039 0.000 0.742 645 E HN 0.670 nan 8.360 nan 0.000 0.466 646 W N 1.232 122.500 121.300 -0.054 0.000 2.364 646 W HA -0.148 4.512 4.660 -0.000 0.000 0.281 646 W C 1.595 178.058 176.519 -0.094 0.000 1.219 646 W CA 1.245 58.552 57.345 -0.064 0.000 1.220 646 W CB -0.576 28.852 29.460 -0.053 0.000 1.127 646 W HN 0.179 nan 8.180 nan 0.000 0.556 647 K N 1.859 121.860 120.400 -0.664 0.000 2.128 647 K HA -0.067 4.252 4.320 -0.000 0.000 0.202 647 K C 2.316 178.679 176.600 -0.396 0.000 1.050 647 K CA 2.607 58.485 56.287 -0.682 0.000 0.966 647 K CB -0.766 31.009 32.500 -1.208 0.000 0.759 647 K HN 0.053 nan 8.250 nan 0.000 0.454 648 T N -1.347 112.996 114.554 -0.352 0.000 2.821 648 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 648 T C 1.988 176.594 174.700 -0.158 0.000 1.046 648 T CA 1.440 63.399 62.100 -0.235 0.000 1.139 648 T CB -0.464 68.294 68.868 -0.184 0.000 0.871 648 T HN 0.082 nan 8.240 nan 0.000 0.454 649 S N 2.236 117.868 115.700 -0.113 0.000 2.370 649 S HA -0.002 4.467 4.470 -0.000 0.000 0.226 649 S C 2.679 177.232 174.600 -0.078 0.000 1.033 649 S CA 1.022 59.182 58.200 -0.067 0.000 1.011 649 S CB -0.902 62.287 63.200 -0.020 0.000 0.852 649 S HN 0.737 nan 8.310 nan 0.000 0.457 650 A N 1.259 124.031 122.820 -0.081 0.000 1.917 650 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 650 A C 2.371 179.855 177.584 -0.167 0.000 1.182 650 A CA 1.788 53.763 52.037 -0.104 0.000 0.633 650 A CB -1.002 17.947 19.000 -0.085 0.000 0.819 650 A HN 0.354 nan 8.150 nan 0.000 0.448 651 V N -0.584 119.212 119.914 -0.198 0.000 2.307 651 V HA -0.312 3.808 4.120 -0.000 0.000 0.245 651 V C 2.665 178.652 176.094 -0.179 0.000 1.045 651 V CA 2.346 64.512 62.300 -0.224 0.000 1.024 651 V CB -0.898 30.778 31.823 -0.246 0.000 0.651 651 V HN 0.645 nan 8.190 nan 0.000 0.449 652 Q N -0.337 119.381 119.800 -0.137 0.000 1.975 652 Q HA -0.206 4.134 4.340 -0.000 0.000 0.205 652 Q C 2.527 178.467 176.000 -0.100 0.000 0.990 652 Q CA 2.035 57.776 55.803 -0.103 0.000 0.845 652 Q CB -0.262 28.431 28.738 -0.075 0.000 0.913 652 Q HN 0.492 nan 8.270 nan 0.000 0.420 653 R N -0.235 120.210 120.500 -0.091 0.000 2.103 653 R HA -0.124 4.216 4.340 -0.000 0.000 0.242 653 R C 0.784 177.018 176.300 -0.110 0.000 1.142 653 R CA 0.761 56.815 56.100 -0.076 0.000 0.960 653 R CB -0.374 29.891 30.300 -0.058 0.000 0.858 653 R HN 0.330 nan 8.270 nan 0.000 0.439 654 M N -0.030 119.468 119.600 -0.170 0.000 2.240 654 M HA 0.055 4.535 4.480 -0.000 0.000 0.317 654 M C 0.714 176.830 176.300 -0.307 0.000 1.087 654 M CA 0.241 55.394 55.300 -0.245 0.000 1.176 654 M CB 0.688 33.095 32.600 -0.322 0.000 1.439 654 M HN 0.107 nan 8.290 nan 0.000 0.452 655 G N 1.191 109.671 108.800 -0.532 0.000 2.356 655 G HA2 0.592 4.552 3.960 -0.000 0.000 0.322 655 G HA3 0.592 4.552 3.960 -0.000 0.000 0.322 655 G C -1.854 172.626 174.900 -0.699 0.000 1.125 655 G CA -0.303 44.161 45.100 -1.060 0.000 0.885 655 G HN 0.554 nan 8.290 nan 0.000 0.467 656 F N 2.897 122.574 119.950 -0.456 0.000 2.513 656 F HA 0.599 5.126 4.527 -0.000 0.000 0.358 656 F C 0.619 176.452 175.800 0.055 0.000 1.118 656 F CA -0.890 57.019 58.000 -0.151 0.000 1.037 656 F CB 1.154 40.076 39.000 -0.130 0.000 1.276 656 F HN 0.655 nan 8.300 nan 0.000 0.446 657 G N 3.065 111.787 108.800 -0.130 0.000 2.509 657 G HA2 0.314 4.274 3.960 -0.000 0.000 0.269 657 G HA3 0.314 4.274 3.960 -0.000 0.000 0.269 657 G C -1.215 173.392 174.900 -0.488 0.000 1.416 657 G CA -0.431 44.572 45.100 -0.161 0.000 1.052 657 G HN 0.546 nan 8.290 nan 0.000 0.542 658 N N -2.212 116.263 118.700 -0.375 0.000 2.484 658 N HA 0.573 5.313 4.740 -0.000 0.000 0.269 658 N C -1.845 173.530 175.510 -0.225 0.000 1.237 658 N CA -0.608 52.276 53.050 -0.277 0.000 0.838 658 N CB 2.066 40.484 38.487 -0.115 0.000 1.593 658 N HN 0.747 nan 8.380 nan 0.000 0.485 659 L N 1.534 122.691 121.223 -0.110 0.000 2.643 659 L HA 0.646 4.986 4.340 -0.000 0.000 0.257 659 L C -1.975 174.991 176.870 0.160 0.000 0.922 659 L CA -0.473 54.380 54.840 0.022 0.000 0.909 659 L CB 1.827 43.909 42.059 0.038 0.000 1.424 659 L HN 0.538 nan 8.230 nan 0.000 0.422 660 N N 2.742 121.535 118.700 0.155 0.000 2.312 660 N HA 0.595 5.335 4.740 -0.000 0.000 0.296 660 N C -1.495 174.071 175.510 0.094 0.000 1.193 660 N CA -0.726 52.424 53.050 0.168 0.000 0.773 660 N CB 2.689 41.226 38.487 0.084 0.000 1.435 660 N HN 0.607 nan 8.380 nan 0.000 0.484 661 K N 0.491 120.929 120.400 0.063 0.000 2.259 661 K HA 0.613 4.933 4.320 -0.000 0.000 0.249 661 K C -1.048 175.501 176.600 -0.085 0.000 0.942 661 K CA -0.799 55.477 56.287 -0.018 0.000 0.816 661 K CB 2.344 34.847 32.500 0.005 0.000 1.155 661 K HN 0.157 nan 8.250 nan 0.000 0.428 662 V N 2.563 122.400 119.914 -0.128 0.000 2.409 662 V HA 0.262 4.382 4.120 -0.000 0.000 0.291 662 V C -0.468 175.528 176.094 -0.164 0.000 1.020 662 V CA -0.987 61.223 62.300 -0.150 0.000 0.848 662 V CB 1.652 33.390 31.823 -0.140 0.000 0.990 662 V HN 0.446 nan 8.190 nan 0.000 0.430 663 V N 6.668 126.458 119.914 -0.206 0.000 2.333 663 V HA 0.434 4.554 4.120 -0.000 0.000 0.274 663 V C -0.152 175.777 176.094 -0.275 0.000 1.028 663 V CA -0.368 61.798 62.300 -0.223 0.000 0.851 663 V CB 1.173 32.825 31.823 -0.284 0.000 1.000 663 V HN 0.645 nan 8.190 nan 0.000 0.456 664 L N 4.873 125.935 121.223 -0.269 0.000 2.276 664 L HA 0.477 4.817 4.340 -0.000 0.000 0.286 664 L C -0.524 175.950 176.870 -0.660 0.000 1.024 664 L CA -0.145 54.423 54.840 -0.453 0.000 0.826 664 L CB 1.294 43.175 42.059 -0.296 0.000 1.211 664 L HN 0.586 nan 8.230 nan 0.000 0.422 665 C N 3.866 122.698 119.300 -0.780 0.000 2.264 665 C HA 0.638 5.098 4.460 -0.000 0.000 0.324 665 C C -0.013 174.602 174.990 -0.625 0.000 1.267 665 C CA -0.654 57.878 59.018 -0.811 0.000 1.618 665 C CB -0.464 26.535 27.740 -1.236 0.000 2.278 665 C HN 0.459 nan 8.230 nan 0.000 0.499 666 F N 1.918 121.934 119.950 0.109 0.000 2.594 666 F HA 0.383 4.910 4.527 -0.000 0.000 0.335 666 F C 1.455 177.423 175.800 0.281 0.000 1.058 666 F CA -1.042 57.096 58.000 0.230 0.000 0.981 666 F CB 0.932 40.126 39.000 0.323 0.000 1.289 666 F HN 0.538 nan 8.300 nan 0.000 0.490 667 D N -0.191 120.475 120.400 0.443 0.000 2.347 667 D HA -0.020 4.620 4.640 -0.000 0.000 0.213 667 D C 0.140 176.549 176.300 0.181 0.000 0.985 667 D CA 0.521 54.688 54.000 0.278 0.000 0.879 667 D CB 0.159 41.078 40.800 0.199 0.000 0.919 667 D HN 0.414 nan 8.370 nan 0.000 0.526 668 R N 0.246 120.842 120.500 0.160 0.000 2.584 668 R HA 0.406 4.745 4.340 -0.000 0.000 0.276 668 R C -1.099 175.041 176.300 -0.268 0.000 1.046 668 R CA -0.895 55.196 56.100 -0.015 0.000 0.906 668 R CB 0.798 31.080 30.300 -0.031 0.000 1.215 668 R HN -0.172 nan 8.270 nan 0.000 0.449 669 V N 3.838 123.461 119.914 -0.486 0.000 2.617 669 V HA 0.010 4.130 4.120 -0.000 0.000 0.304 669 V C 0.570 176.081 176.094 -0.971 0.000 1.040 669 V CA 0.570 62.173 62.300 -1.162 0.000 1.149 669 V CB -0.626 30.733 31.823 -0.772 0.000 0.914 669 V HN 0.808 nan 8.190 nan 0.000 0.487 670 F N 2.566 121.715 119.950 -1.334 0.000 2.859 670 F HA 0.484 5.011 4.527 -0.000 0.000 0.324 670 F C -0.297 175.025 175.800 -0.797 0.000 1.158 670 F CA -1.493 56.049 58.000 -0.764 0.000 1.147 670 F CB -0.722 37.942 39.000 -0.560 0.000 1.137 670 F HN 0.454 nan 8.300 nan 0.000 0.516 671 W N -0.255 120.641 121.300 -0.674 0.000 3.075 671 W HA 0.634 5.294 4.660 -0.000 0.000 0.334 671 W C -0.563 175.859 176.519 -0.162 0.000 1.288 671 W CA -1.435 55.482 57.345 -0.714 0.000 1.095 671 W CB -0.161 28.913 29.460 -0.643 0.000 1.564 671 W HN -0.147 nan 8.180 nan 0.000 0.629 672 D N 1.354 121.944 120.400 0.316 0.000 2.374 672 D HA 0.210 4.850 4.640 -0.000 0.000 0.240 672 D C -1.416 175.033 176.300 0.248 0.000 1.229 672 D CA -2.299 51.833 54.000 0.220 0.000 0.895 672 D CB 1.151 42.081 40.800 0.217 0.000 1.046 672 D HN -0.052 nan 8.370 nan 0.000 0.498 673 P HA -0.177 nan 4.420 nan 0.000 0.218 673 P C 0.816 178.213 177.300 0.162 0.000 1.150 673 P CA 1.313 64.497 63.100 0.139 0.000 0.841 673 P CB 0.139 31.864 31.700 0.041 0.000 0.784 674 S N -2.917 112.863 115.700 0.134 0.000 2.634 674 S HA 0.178 4.648 4.470 -0.000 0.000 0.221 674 S C 0.451 175.126 174.600 0.125 0.000 0.952 674 S CA -0.330 57.937 58.200 0.112 0.000 0.930 674 S CB -0.419 62.829 63.200 0.080 0.000 0.780 674 S HN -0.141 nan 8.310 nan 0.000 0.498 675 V N 2.199 122.218 119.914 0.175 0.000 2.448 675 V HA 0.359 4.479 4.120 -0.000 0.000 0.295 675 V C 0.194 176.397 176.094 0.182 0.000 1.025 675 V CA -0.733 61.675 62.300 0.179 0.000 0.859 675 V CB 1.495 33.448 31.823 0.218 0.000 0.988 675 V HN 0.361 nan 8.190 nan 0.000 0.431 676 N N 3.702 122.463 118.700 0.101 0.000 2.387 676 N HA 0.265 5.004 4.740 -0.000 0.000 0.176 676 N C -0.122 175.344 175.510 -0.074 0.000 1.022 676 N CA 0.425 53.502 53.050 0.045 0.000 0.883 676 N CB 0.338 38.849 38.487 0.039 0.000 1.019 676 N HN 0.634 nan 8.380 nan 0.000 0.435 677 L N -1.601 119.541 121.223 -0.136 0.000 2.409 677 L HA 0.685 5.025 4.340 -0.000 0.000 0.262 677 L C -1.544 175.274 176.870 -0.087 0.000 0.992 677 L CA -1.366 53.252 54.840 -0.371 0.000 0.817 677 L CB 1.546 43.145 42.059 -0.766 0.000 1.350 677 L HN -0.112 nan 8.230 nan 0.000 0.411 678 F N -0.908 118.978 119.950 -0.107 0.000 2.596 678 F HA 0.889 5.416 4.527 -0.000 0.000 0.311 678 F C 0.028 175.872 175.800 0.073 0.000 1.116 678 F CA -0.795 57.208 58.000 0.005 0.000 0.957 678 F CB 1.365 40.399 39.000 0.057 0.000 1.250 678 F HN 0.700 nan 8.300 nan 0.000 0.444 679 G N 1.478 110.452 108.800 0.290 0.000 2.476 679 G HA2 0.413 4.372 3.960 -0.000 0.000 0.286 679 G HA3 0.413 4.372 3.960 -0.000 0.000 0.286 679 G C -1.739 173.418 174.900 0.429 0.000 1.177 679 G CA -0.465 44.832 45.100 0.328 0.000 0.870 679 G HN 1.062 nan 8.290 nan 0.000 0.528 680 H N 0.568 119.893 119.070 0.426 0.000 2.529 680 H HA 0.441 4.997 4.556 -0.000 0.000 0.348 680 H C -1.194 174.374 175.328 0.400 0.000 1.079 680 H CA -0.595 55.666 56.048 0.356 0.000 1.198 680 H CB 1.818 31.822 29.762 0.402 0.000 1.521 680 H HN 0.203 nan 8.280 nan 0.000 0.514 681 V N 5.036 124.809 119.914 -0.235 0.000 2.432 681 V HA 0.306 4.426 4.120 -0.000 0.000 0.275 681 V C 1.386 177.334 176.094 -0.243 0.000 1.043 681 V CA -0.029 62.226 62.300 -0.074 0.000 0.925 681 V CB 0.998 32.763 31.823 -0.097 0.000 0.985 681 V HN 0.907 nan 8.190 nan 0.000 0.466 682 G N 3.220 112.104 108.800 0.139 0.000 2.651 682 G HA2 0.327 4.287 3.960 -0.000 0.000 0.260 682 G HA3 0.327 4.287 3.960 -0.000 0.000 0.260 682 G C 0.970 175.935 174.900 0.109 0.000 1.216 682 G CA 0.238 45.469 45.100 0.219 0.000 0.913 682 G HN 0.804 nan 8.290 nan 0.000 0.535 683 S N -1.265 114.508 115.700 0.122 0.000 2.439 683 S HA 0.098 4.568 4.470 -0.000 0.000 0.224 683 S C 1.020 175.667 174.600 0.080 0.000 1.029 683 S CA 0.795 59.044 58.200 0.082 0.000 0.946 683 S CB 0.008 63.255 63.200 0.079 0.000 0.797 683 S HN 0.676 nan 8.310 nan 0.000 0.504 684 T N 0.721 115.329 114.554 0.091 0.000 2.942 684 T HA 0.430 4.780 4.350 -0.000 0.000 0.289 684 T C 0.894 175.646 174.700 0.087 0.000 1.044 684 T CA -0.596 61.550 62.100 0.078 0.000 1.023 684 T CB 1.375 70.282 68.868 0.065 0.000 1.123 684 T HN -0.048 nan 8.240 nan 0.000 0.512 685 T N 1.763 116.366 114.554 0.081 0.000 2.652 685 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 685 T C 2.356 177.088 174.700 0.054 0.000 1.039 685 T CA 1.660 63.809 62.100 0.082 0.000 1.153 685 T CB -0.733 68.179 68.868 0.072 0.000 0.863 685 T HN 0.750 nan 8.240 nan 0.000 0.428 686 A N 1.280 124.126 122.820 0.043 0.000 2.084 686 A HA -0.079 4.241 4.320 -0.000 0.000 0.221 686 A C 2.101 179.701 177.584 0.027 0.000 1.161 686 A CA 1.959 54.013 52.037 0.027 0.000 0.653 686 A CB -0.459 18.557 19.000 0.026 0.000 0.802 686 A HN 0.599 nan 8.150 nan 0.000 0.457 687 S N -1.257 114.472 115.700 0.048 0.000 2.843 687 S HA 0.190 4.660 4.470 -0.000 0.000 0.249 687 S C 1.136 175.780 174.600 0.074 0.000 1.047 687 S CA 0.087 58.319 58.200 0.055 0.000 1.042 687 S CB -0.158 63.086 63.200 0.074 0.000 0.936 687 S HN 0.695 nan 8.310 nan 0.000 0.531 688 R N 0.821 121.353 120.500 0.053 0.000 2.139 688 R HA -0.039 4.301 4.340 -0.000 0.000 0.243 688 R C 1.989 178.273 176.300 -0.027 0.000 1.145 688 R CA 1.808 57.940 56.100 0.055 0.000 0.976 688 R CB -1.308 29.013 30.300 0.035 0.000 0.866 688 R HN 0.417 nan 8.270 nan 0.000 0.449 689 G N 1.236 109.968 108.800 -0.114 0.000 2.484 689 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 689 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 689 G C 0.321 175.231 174.900 0.016 0.000 1.130 689 G CA -0.156 44.808 45.100 -0.227 0.000 0.784 689 G HN 0.460 nan 8.290 nan 0.000 0.543 690 E N 0.499 120.750 120.200 0.085 0.000 2.328 690 E HA 0.241 4.591 4.350 -0.000 0.000 0.265 690 E C 0.501 177.177 176.600 0.125 0.000 1.057 690 E CA -0.445 56.012 56.400 0.095 0.000 0.916 690 E CB -0.113 29.635 29.700 0.079 0.000 0.993 690 E HN 0.194 nan 8.360 nan 0.000 0.446 691 L N 4.512 125.772 121.223 0.061 0.000 3.905 691 L HA -0.301 4.039 4.340 -0.000 0.000 0.437 691 L C 0.939 177.825 176.870 0.027 0.000 1.152 691 L CA 0.427 55.223 54.840 -0.073 0.000 0.935 691 L CB -1.978 40.015 42.059 -0.110 0.000 1.841 691 L HN 0.649 nan 8.230 nan 0.000 0.998 692 F N -0.569 119.382 119.950 0.001 0.000 2.722 692 F HA 0.442 4.969 4.527 -0.000 0.000 0.298 692 F C 0.444 176.387 175.800 0.239 0.000 1.175 692 F CA -0.010 58.107 58.000 0.194 0.000 1.462 692 F CB 0.049 39.066 39.000 0.028 0.000 1.111 692 F HN 0.080 nan 8.300 nan 0.000 0.592 693 L N 0.269 121.143 121.223 -0.582 0.000 2.643 693 L HA 0.541 4.880 4.340 -0.000 0.000 0.257 693 L C -2.193 174.318 176.870 -0.600 0.000 0.922 693 L CA -1.326 53.123 54.840 -0.650 0.000 0.909 693 L CB 1.216 42.432 42.059 -1.405 0.000 1.424 693 L HN -0.060 nan 8.230 nan 0.000 0.422 694 F N 2.716 122.235 119.950 -0.719 0.000 2.532 694 F HA 0.695 5.222 4.527 -0.000 0.000 0.321 694 F C -1.090 174.261 175.800 -0.747 0.000 1.089 694 F CA -0.298 57.261 58.000 -0.736 0.000 0.926 694 F CB 1.957 40.253 39.000 -1.174 0.000 1.168 694 F HN 0.354 nan 8.300 nan 0.000 0.459 695 W N 2.126 123.199 121.300 -0.379 0.000 2.471 695 W HA 0.394 5.054 4.660 -0.000 0.000 0.318 695 W C -0.314 176.029 176.519 -0.293 0.000 1.034 695 W CA -0.967 56.200 57.345 -0.297 0.000 1.224 695 W CB 1.110 30.433 29.460 -0.227 0.000 1.335 695 W HN 0.315 nan 8.180 nan 0.000 0.452 696 N N 3.913 122.568 118.700 -0.076 0.000 2.500 696 N HA 0.319 5.059 4.740 -0.000 0.000 0.236 696 N C -0.359 175.165 175.510 0.023 0.000 1.022 696 N CA 0.028 53.034 53.050 -0.073 0.000 0.935 696 N CB 0.553 39.013 38.487 -0.046 0.000 1.147 696 N HN 0.582 nan 8.380 nan 0.000 0.512 697 L N 1.983 123.166 121.223 -0.066 0.000 2.730 697 L HA 0.329 4.669 4.340 -0.000 0.000 0.236 697 L C -0.166 176.557 176.870 -0.244 0.000 1.061 697 L CA -0.103 54.593 54.840 -0.240 0.000 0.898 697 L CB 0.054 41.790 42.059 -0.538 0.000 1.270 697 L HN 0.393 nan 8.230 nan 0.000 0.500 698 Y N -0.121 120.263 120.300 0.141 0.000 2.432 698 Y HA 0.210 4.760 4.550 -0.000 0.000 0.322 698 Y C 1.306 177.296 175.900 0.150 0.000 1.246 698 Y CA -0.562 57.618 58.100 0.134 0.000 1.268 698 Y CB 1.083 39.624 38.460 0.135 0.000 1.276 698 Y HN -0.230 nan 8.280 nan 0.000 0.499 699 K N 1.378 121.959 120.400 0.302 0.000 1.991 699 K HA -0.097 4.223 4.320 -0.000 0.000 0.212 699 K C 0.792 177.525 176.600 0.221 0.000 1.049 699 K CA 1.174 57.585 56.287 0.206 0.000 0.932 699 K CB -0.361 32.227 32.500 0.147 0.000 0.717 699 K HN 0.759 nan 8.250 nan 0.000 0.441 700 A N 2.030 124.994 122.820 0.240 0.000 2.536 700 A HA 0.049 4.369 4.320 -0.000 0.000 0.234 700 A C -2.141 175.664 177.584 0.367 0.000 1.076 700 A CA -0.692 51.506 52.037 0.267 0.000 0.769 700 A CB -0.384 18.786 19.000 0.283 0.000 1.020 700 A HN 0.167 nan 8.150 nan 0.000 0.508 701 P HA 0.326 nan 4.420 nan 0.000 0.252 701 P C -1.028 176.623 177.300 0.584 0.000 1.727 701 P CA 0.595 64.004 63.100 0.516 0.000 1.134 701 P CB -0.377 31.542 31.700 0.365 0.000 1.876 702 I N 2.833 123.691 120.570 0.479 0.000 2.465 702 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 702 I C 0.193 176.333 176.117 0.039 0.000 1.014 702 I CA -0.975 60.456 61.300 0.218 0.000 1.093 702 I CB 2.382 40.505 38.000 0.205 0.000 1.267 702 I HN -0.029 nan 8.210 nan 0.000 0.431 703 L N 6.525 127.653 121.223 -0.158 0.000 2.329 703 L HA 0.575 4.915 4.340 -0.000 0.000 0.279 703 L C -0.826 175.996 176.870 -0.079 0.000 1.014 703 L CA -0.750 53.943 54.840 -0.246 0.000 0.814 703 L CB 1.854 43.715 42.059 -0.331 0.000 1.257 703 L HN 0.414 nan 8.230 nan 0.000 0.424 704 L N 2.881 124.080 121.223 -0.040 0.000 2.307 704 L HA 0.688 5.028 4.340 -0.000 0.000 0.284 704 L C -0.168 176.599 176.870 -0.173 0.000 1.023 704 L CA -0.429 54.372 54.840 -0.065 0.000 0.810 704 L CB 1.903 43.935 42.059 -0.045 0.000 1.231 704 L HN 0.659 nan 8.230 nan 0.000 0.423 705 A N 4.125 126.759 122.820 -0.310 0.000 2.319 705 A HA 0.665 4.985 4.320 -0.000 0.000 0.310 705 A C -0.899 176.471 177.584 -0.358 0.000 1.152 705 A CA -0.566 51.102 52.037 -0.616 0.000 0.783 705 A CB 1.013 19.423 19.000 -0.982 0.000 1.184 705 A HN 0.446 nan 8.150 nan 0.000 0.474 706 L N 1.970 123.009 121.223 -0.307 0.000 2.439 706 L HA 0.387 4.727 4.340 -0.000 0.000 0.269 706 L C 0.040 176.930 176.870 0.034 0.000 1.179 706 L CA 0.236 55.024 54.840 -0.086 0.000 0.828 706 L CB 1.399 43.425 42.059 -0.054 0.000 1.106 706 L HN 0.423 nan 8.230 nan 0.000 0.467 707 V N 3.241 123.205 119.914 0.082 0.000 2.376 707 V HA 0.800 4.920 4.120 -0.000 0.000 0.287 707 V C 0.196 176.338 176.094 0.079 0.000 1.015 707 V CA -0.494 61.855 62.300 0.082 0.000 0.834 707 V CB 0.926 32.764 31.823 0.025 0.000 1.001 707 V HN 0.956 nan 8.190 nan 0.000 0.428 708 A N 3.575 126.405 122.820 0.016 0.000 2.616 708 A HA 1.048 5.368 4.320 -0.000 0.000 0.253 708 A C 0.838 178.348 177.584 -0.123 0.000 1.239 708 A CA -0.011 51.995 52.037 -0.053 0.000 0.914 708 A CB 0.690 19.625 19.000 -0.107 0.000 1.454 708 A HN 1.980 nan 8.150 nan 0.000 0.460 709 G N -0.664 108.049 108.800 -0.145 0.000 2.581 709 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.291 709 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.291 709 G C 0.582 175.420 174.900 -0.104 0.000 1.277 709 G CA 0.592 45.605 45.100 -0.146 0.000 0.959 709 G HN 0.747 nan 8.290 nan 0.000 0.554 710 E N 0.261 120.408 120.200 -0.089 0.000 2.204 710 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 710 E C 2.916 179.490 176.600 -0.044 0.000 0.990 710 E CA 1.575 57.939 56.400 -0.061 0.000 0.821 710 E CB -0.550 29.120 29.700 -0.050 0.000 0.750 710 E HN 0.784 nan 8.360 nan 0.000 0.477 711 A N 1.456 124.249 122.820 -0.045 0.000 1.930 711 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 711 A C 2.439 180.011 177.584 -0.019 0.000 1.175 711 A CA 1.649 53.672 52.037 -0.024 0.000 0.627 711 A CB -0.443 18.546 19.000 -0.018 0.000 0.815 711 A HN 0.263 nan 8.150 nan 0.000 0.443 712 A N -0.274 122.530 122.820 -0.026 0.000 1.892 712 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 712 A C 2.426 180.004 177.584 -0.011 0.000 1.188 712 A CA 2.112 54.142 52.037 -0.012 0.000 0.631 712 A CB -1.452 17.540 19.000 -0.015 0.000 0.822 712 A HN 0.752 nan 8.150 nan 0.000 0.447 713 G N -0.116 108.673 108.800 -0.018 0.000 2.422 713 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 713 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 713 G C 1.492 176.384 174.900 -0.012 0.000 1.146 713 G CA 1.156 46.248 45.100 -0.013 0.000 0.769 713 G HN 0.530 nan 8.290 nan 0.000 0.547 714 I N 0.335 120.897 120.570 -0.012 0.000 2.406 714 I HA -0.054 4.116 4.170 -0.000 0.000 0.249 714 I C 2.616 178.728 176.117 -0.010 0.000 1.122 714 I CA 0.551 61.846 61.300 -0.009 0.000 1.431 714 I CB -0.263 37.733 38.000 -0.006 0.000 1.087 714 I HN 0.061 nan 8.210 nan 0.000 0.424 715 M N 0.557 120.151 119.600 -0.010 0.000 2.446 715 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 715 M C 1.901 178.188 176.300 -0.021 0.000 1.066 715 M CA 1.448 56.740 55.300 -0.013 0.000 1.087 715 M CB -0.935 31.658 32.600 -0.011 0.000 1.406 715 M HN 0.318 nan 8.290 nan 0.000 0.459 716 E N 0.159 120.346 120.200 -0.022 0.000 2.208 716 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 716 E C 1.015 177.595 176.600 -0.034 0.000 0.988 716 E CA 0.498 56.879 56.400 -0.033 0.000 0.828 716 E CB -0.007 29.676 29.700 -0.029 0.000 0.763 716 E HN 0.515 nan 8.360 nan 0.000 0.478 717 N N 0.442 119.127 118.700 -0.025 0.000 2.434 717 N HA 0.067 4.807 4.740 -0.000 0.000 0.196 717 N C -0.071 175.427 175.510 -0.020 0.000 1.183 717 N CA 0.510 53.546 53.050 -0.023 0.000 0.849 717 N CB 0.400 38.877 38.487 -0.017 0.000 0.992 717 N HN 0.154 nan 8.380 nan 0.000 0.460 718 I N 0.363 120.920 120.570 -0.022 0.000 2.441 718 I HA 0.084 4.254 4.170 -0.000 0.000 0.295 718 I C 0.611 176.713 176.117 -0.025 0.000 0.994 718 I CA -0.757 60.532 61.300 -0.018 0.000 1.144 718 I CB 1.679 39.672 38.000 -0.012 0.000 1.314 718 I HN -0.067 nan 8.210 nan 0.000 0.445 719 S N 3.536 119.223 115.700 -0.021 0.000 2.559 719 S HA -0.042 4.428 4.470 -0.000 0.000 0.282 719 S C 0.758 175.341 174.600 -0.029 0.000 1.336 719 S CA -0.127 58.058 58.200 -0.025 0.000 1.037 719 S CB 0.724 63.914 63.200 -0.017 0.000 0.853 719 S HN 0.605 nan 8.310 nan 0.000 0.523 720 D N 1.728 122.105 120.400 -0.039 0.000 2.104 720 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 720 D C 1.520 177.802 176.300 -0.031 0.000 0.994 720 D CA 1.763 55.735 54.000 -0.048 0.000 0.830 720 D CB -0.307 40.456 40.800 -0.062 0.000 0.959 720 D HN 0.682 nan 8.370 nan 0.000 0.452 721 D N 0.104 120.492 120.400 -0.019 0.000 2.087 721 D HA -0.121 4.518 4.640 -0.000 0.000 0.192 721 D C 2.351 178.654 176.300 0.005 0.000 0.993 721 D CA 0.751 54.748 54.000 -0.005 0.000 0.828 721 D CB -0.528 40.273 40.800 0.001 0.000 0.968 721 D HN 0.072 nan 8.370 nan 0.000 0.448 722 V N 1.593 121.509 119.914 0.003 0.000 2.370 722 V HA -0.265 3.854 4.120 -0.000 0.000 0.252 722 V C 2.548 178.650 176.094 0.012 0.000 1.068 722 V CA 1.320 63.625 62.300 0.010 0.000 1.061 722 V CB -0.470 31.357 31.823 0.006 0.000 0.656 722 V HN 0.191 nan 8.190 nan 0.000 0.455 723 I N -0.334 120.236 120.570 -0.000 0.000 2.163 723 I HA -0.176 3.994 4.170 -0.000 0.000 0.240 723 I C 2.291 178.416 176.117 0.013 0.000 1.081 723 I CA 1.327 62.625 61.300 -0.003 0.000 1.353 723 I CB -0.416 37.568 38.000 -0.027 0.000 1.054 723 I HN 0.153 nan 8.210 nan 0.000 0.407 724 V N 1.198 121.118 119.914 0.010 0.000 2.568 724 V HA -0.197 3.923 4.120 -0.000 0.000 0.253 724 V C 2.425 178.561 176.094 0.071 0.000 1.072 724 V CA 1.757 64.079 62.300 0.037 0.000 1.084 724 V CB -1.875 29.959 31.823 0.018 0.000 0.676 724 V HN 0.584 nan 8.190 nan 0.000 0.469 725 G N 1.114 109.946 108.800 0.052 0.000 2.771 725 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.214 725 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.214 725 G C 1.558 176.502 174.900 0.072 0.000 1.331 725 G CA 1.059 46.194 45.100 0.058 0.000 0.812 725 G HN 0.454 nan 8.290 nan 0.000 0.628 726 R N -0.622 119.914 120.500 0.060 0.000 2.153 726 R HA -0.190 4.150 4.340 -0.000 0.000 0.252 726 R C 2.577 178.935 176.300 0.097 0.000 1.158 726 R CA 1.311 57.450 56.100 0.066 0.000 0.975 726 R CB -1.324 29.005 30.300 0.047 0.000 0.871 726 R HN 0.392 nan 8.270 nan 0.000 0.450 727 C N 1.007 120.378 119.300 0.118 0.000 2.413 727 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 727 C C 2.765 177.908 174.990 0.256 0.000 1.228 727 C CA 0.802 59.946 59.018 0.210 0.000 1.731 727 C CB -0.933 26.915 27.740 0.180 0.000 2.042 727 C HN 0.427 nan 8.230 nan 0.000 0.468 728 L N 0.691 122.037 121.223 0.205 0.000 1.994 728 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 728 L C 2.894 179.840 176.870 0.126 0.000 1.071 728 L CA 1.539 56.494 54.840 0.190 0.000 0.745 728 L CB -1.122 41.031 42.059 0.157 0.000 0.892 728 L HN 0.398 nan 8.230 nan 0.000 0.431 729 A N 1.036 123.916 122.820 0.101 0.000 1.883 729 A HA -0.331 3.989 4.320 -0.000 0.000 0.222 729 A C 2.195 179.832 177.584 0.089 0.000 1.339 729 A CA 2.623 54.709 52.037 0.081 0.000 0.692 729 A CB -1.182 17.866 19.000 0.079 0.000 0.845 729 A HN 0.382 nan 8.150 nan 0.000 0.467 730 I N -0.632 120.006 120.570 0.114 0.000 2.118 730 I HA -0.324 3.846 4.170 -0.000 0.000 0.241 730 I C 2.559 178.720 176.117 0.074 0.000 1.070 730 I CA 1.772 63.146 61.300 0.124 0.000 1.327 730 I CB -0.438 37.627 38.000 0.108 0.000 1.034 730 I HN 0.372 nan 8.210 nan 0.000 0.405 731 L N 0.323 121.601 121.223 0.092 0.000 2.042 731 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 731 L C 2.619 179.566 176.870 0.129 0.000 1.076 731 L CA 1.585 56.513 54.840 0.146 0.000 0.749 731 L CB -0.562 41.670 42.059 0.289 0.000 0.893 731 L HN 0.206 nan 8.230 nan 0.000 0.432 732 K N -0.006 120.412 120.400 0.031 0.000 2.001 732 K HA -0.175 4.145 4.320 -0.000 0.000 0.214 732 K C 2.131 178.720 176.600 -0.019 0.000 1.050 732 K CA 1.486 57.757 56.287 -0.028 0.000 0.934 732 K CB -0.910 31.571 32.500 -0.031 0.000 0.718 732 K HN 0.393 nan 8.250 nan 0.000 0.443 733 G N 1.503 110.301 108.800 -0.004 0.000 2.656 733 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.223 733 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.223 733 G C 1.380 176.230 174.900 -0.083 0.000 1.130 733 G CA 1.619 46.711 45.100 -0.014 0.000 0.758 733 G HN 0.180 nan 8.290 nan 0.000 0.608 734 I N -1.771 118.690 120.570 -0.181 0.000 3.462 734 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 734 I C 1.257 176.982 176.117 -0.654 0.000 1.236 734 I CA 0.283 61.285 61.300 -0.497 0.000 1.418 734 I CB 0.246 37.678 38.000 -0.946 0.000 1.102 734 I HN 0.122 nan 8.210 nan 0.000 0.441 735 F N 0.088 119.941 119.950 -0.161 0.000 2.831 735 F HA 0.557 5.084 4.527 -0.000 0.000 0.334 735 F C 0.927 176.649 175.800 -0.131 0.000 1.071 735 F CA -0.003 57.919 58.000 -0.130 0.000 1.172 735 F CB 0.649 39.605 39.000 -0.073 0.000 1.054 735 F HN -0.110 nan 8.300 nan 0.000 0.572 736 G N 0.516 109.322 108.800 0.010 0.000 3.448 736 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.685 736 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.685 736 G C 0.479 175.330 174.900 -0.082 0.000 1.151 736 G CA -0.269 44.810 45.100 -0.034 0.000 1.023 736 G HN 0.013 nan 8.290 nan 0.000 0.499 737 S N 0.316 115.976 115.700 -0.067 0.000 2.626 737 S HA -0.005 4.465 4.470 -0.000 0.000 0.262 737 S C 1.893 176.436 174.600 -0.095 0.000 0.974 737 S CA 2.318 60.474 58.200 -0.073 0.000 0.971 737 S CB -0.319 62.855 63.200 -0.043 0.000 0.752 737 S HN 2.219 nan 8.310 nan 0.000 0.541 738 S N -2.667 112.957 115.700 -0.127 0.000 2.822 738 S HA 0.427 4.897 4.470 -0.000 0.000 0.251 738 S C 0.943 175.439 174.600 -0.173 0.000 0.946 738 S CA 0.139 58.262 58.200 -0.127 0.000 1.377 738 S CB -0.215 62.938 63.200 -0.079 0.000 1.230 738 S HN 0.380 nan 8.310 nan 0.000 0.671 739 A N 1.068 123.743 122.820 -0.243 0.000 2.132 739 A HA 0.588 4.908 4.320 -0.000 0.000 0.213 739 A C 0.683 177.854 177.584 -0.689 0.000 1.154 739 A CA 0.528 52.365 52.037 -0.334 0.000 0.753 739 A CB 0.029 18.879 19.000 -0.251 0.000 0.826 739 A HN 0.483 nan 8.150 nan 0.000 0.469 740 V N 3.680 123.148 119.914 -0.743 0.000 2.288 740 V HA 0.234 4.354 4.120 -0.000 0.000 0.266 740 V C -1.979 173.846 176.094 -0.448 0.000 1.048 740 V CA -1.499 60.205 62.300 -0.993 0.000 0.842 740 V CB 0.755 32.137 31.823 -0.736 0.000 1.064 740 V HN 0.363 nan 8.190 nan 0.000 0.472 741 P HA 0.237 nan 4.420 nan 0.000 0.289 741 P C -0.482 176.867 177.300 0.082 0.000 1.299 741 P CA -0.617 62.436 63.100 -0.078 0.000 0.766 741 P CB 0.674 32.375 31.700 0.003 0.000 1.226 742 Q N -0.083 119.804 119.800 0.144 0.000 2.373 742 Q HA 0.262 4.602 4.340 -0.000 0.000 0.255 742 Q C -2.006 174.218 176.000 0.372 0.000 0.980 742 Q CA -1.419 54.515 55.803 0.218 0.000 0.882 742 Q CB -0.787 28.032 28.738 0.135 0.000 1.249 742 Q HN 0.292 nan 8.270 nan 0.000 0.438 743 P HA 0.145 nan 4.420 nan 0.000 0.281 743 P C 0.362 177.712 177.300 0.085 0.000 1.252 743 P CA -0.347 62.861 63.100 0.180 0.000 0.778 743 P CB 0.841 32.486 31.700 -0.092 0.000 0.895 744 K N 1.270 121.721 120.400 0.086 0.000 2.097 744 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 744 K C 0.442 177.078 176.600 0.060 0.000 1.050 744 K CA 1.509 57.865 56.287 0.114 0.000 0.938 744 K CB 0.170 32.808 32.500 0.231 0.000 0.718 744 K HN 0.533 nan 8.250 nan 0.000 0.442 745 E N 0.437 120.596 120.200 -0.068 0.000 2.308 745 E HA 0.209 4.559 4.350 -0.000 0.000 0.275 745 E C -0.826 175.653 176.600 -0.202 0.000 0.890 745 E CA -0.322 56.041 56.400 -0.062 0.000 0.754 745 E CB 2.310 32.051 29.700 0.068 0.000 1.207 745 E HN 0.132 nan 8.360 nan 0.000 0.426 746 T N -1.589 112.855 114.554 -0.184 0.000 2.900 746 T HA 0.782 5.132 4.350 -0.000 0.000 0.295 746 T C -0.413 174.073 174.700 -0.355 0.000 1.044 746 T CA -0.694 61.245 62.100 -0.268 0.000 0.995 746 T CB 1.403 70.162 68.868 -0.182 0.000 1.072 746 T HN 0.090 nan 8.240 nan 0.000 0.473 747 V N 1.588 121.234 119.914 -0.448 0.000 2.925 747 V HA 0.731 4.851 4.120 -0.000 0.000 0.311 747 V C -0.789 175.122 176.094 -0.305 0.000 1.104 747 V CA -0.905 61.122 62.300 -0.454 0.000 0.954 747 V CB 2.248 33.619 31.823 -0.754 0.000 1.022 747 V HN 0.939 nan 8.190 nan 0.000 0.427 748 V N 2.432 122.202 119.914 -0.241 0.000 2.443 748 V HA 0.438 4.558 4.120 -0.000 0.000 0.293 748 V C 0.332 176.299 176.094 -0.211 0.000 1.021 748 V CA -0.530 61.655 62.300 -0.191 0.000 0.848 748 V CB 2.025 33.762 31.823 -0.142 0.000 0.998 748 V HN 1.066 nan 8.190 nan 0.000 0.424 749 S N 5.425 120.994 115.700 -0.218 0.000 2.560 749 S HA 0.402 4.872 4.470 -0.000 0.000 0.284 749 S C 0.057 174.479 174.600 -0.297 0.000 1.327 749 S CA -0.251 57.745 58.200 -0.341 0.000 1.055 749 S CB 0.485 63.507 63.200 -0.297 0.000 0.868 749 S HN 0.720 nan 8.310 nan 0.000 0.506 750 R N 2.332 122.589 120.500 -0.406 0.000 2.639 750 R HA 0.205 4.545 4.340 -0.000 0.000 0.273 750 R C -0.383 175.794 176.300 -0.205 0.000 1.732 750 R CA -0.300 55.661 56.100 -0.230 0.000 1.586 750 R CB 0.237 30.440 30.300 -0.162 0.000 1.263 750 R HN 0.889 nan 8.270 nan 0.000 0.615 751 W N 0.334 121.618 121.300 -0.026 0.000 2.388 751 W HA -0.095 4.564 4.660 -0.000 0.000 0.294 751 W C 2.189 178.702 176.519 -0.011 0.000 1.212 751 W CA 0.432 57.770 57.345 -0.012 0.000 1.271 751 W CB 0.092 29.538 29.460 -0.023 0.000 1.126 751 W HN 0.309 nan 8.180 nan 0.000 0.535 752 R N 1.025 121.628 120.500 0.171 0.000 2.148 752 R HA -0.068 4.271 4.340 -0.000 0.000 0.227 752 R C 2.039 178.372 176.300 0.055 0.000 1.103 752 R CA 1.689 57.851 56.100 0.104 0.000 0.983 752 R CB -0.774 29.557 30.300 0.052 0.000 0.874 752 R HN 0.089 nan 8.270 nan 0.000 0.451 753 A N 0.093 122.918 122.820 0.009 0.000 1.898 753 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 753 A C 0.598 178.137 177.584 -0.074 0.000 1.183 753 A CA 0.726 52.736 52.037 -0.044 0.000 0.622 753 A CB -0.555 18.401 19.000 -0.072 0.000 0.824 753 A HN 0.380 nan 8.150 nan 0.000 0.444 754 D N 0.714 121.079 120.400 -0.057 0.000 2.502 754 D HA 0.008 4.648 4.640 -0.000 0.000 0.249 754 D C -1.317 174.907 176.300 -0.127 0.000 1.188 754 D CA -1.356 52.593 54.000 -0.085 0.000 0.890 754 D CB 0.899 41.715 40.800 0.028 0.000 1.140 754 D HN 0.187 nan 8.370 nan 0.000 0.505 755 P HA -0.091 nan 4.420 nan 0.000 0.226 755 P C 0.498 177.504 177.300 -0.491 0.000 1.153 755 P CA 0.845 63.607 63.100 -0.563 0.000 0.777 755 P CB -0.117 31.020 31.700 -0.938 0.000 0.794 756 W N -0.527 120.821 121.300 0.079 0.000 3.305 756 W HA 0.572 5.232 4.660 -0.000 0.000 0.392 756 W C 1.336 177.939 176.519 0.141 0.000 1.121 756 W CA -0.245 57.152 57.345 0.086 0.000 1.909 756 W CB 0.162 29.667 29.460 0.075 0.000 1.065 756 W HN 0.016 nan 8.180 nan 0.000 0.714 757 A N -0.217 122.785 122.820 0.303 0.000 1.621 757 A HA 0.215 4.534 4.320 -0.000 0.000 0.212 757 A C 1.394 179.175 177.584 0.328 0.000 1.760 757 A CA -0.311 51.938 52.037 0.354 0.000 1.251 757 A CB 0.214 19.521 19.000 0.511 0.000 1.168 757 A HN 0.026 nan 8.150 nan 0.000 0.463 758 R N 0.009 120.661 120.500 0.255 0.000 3.422 758 R HA -0.132 4.208 4.340 -0.000 0.000 0.267 758 R C 0.495 177.041 176.300 0.411 0.000 1.074 758 R CA 1.104 57.337 56.100 0.221 0.000 0.718 758 R CB -2.319 28.046 30.300 0.109 0.000 1.157 758 R HN 2.155 nan 8.270 nan 0.000 0.440 759 G N -2.227 106.795 108.800 0.370 0.000 2.334 759 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.315 759 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.315 759 G C 0.188 174.990 174.900 -0.164 0.000 1.284 759 G CA 0.344 45.491 45.100 0.079 0.000 0.985 759 G HN 0.419 nan 8.290 nan 0.000 0.504 760 S N -1.515 113.726 115.700 -0.766 0.000 2.891 760 S HA 0.658 5.128 4.470 -0.000 0.000 0.247 760 S C 0.537 174.788 174.600 -0.582 0.000 1.063 760 S CA 1.669 59.461 58.200 -0.679 0.000 0.857 760 S CB 0.243 63.032 63.200 -0.684 0.000 0.800 760 S HN 2.157 nan 8.310 nan 0.000 0.540 761 Y N 0.776 120.667 120.300 -0.681 0.000 2.788 761 Y HA 0.782 5.332 4.550 -0.000 0.000 0.335 761 Y C -0.424 175.347 175.900 -0.214 0.000 1.287 761 Y CA -1.111 56.808 58.100 -0.301 0.000 1.068 761 Y CB 0.440 38.843 38.460 -0.096 0.000 1.340 761 Y HN 0.232 nan 8.280 nan 0.000 0.449 762 S N 0.352 116.318 115.700 0.443 0.000 2.672 762 S HA 0.799 5.269 4.470 -0.000 0.000 0.276 762 S C -1.059 173.799 174.600 0.430 0.000 1.207 762 S CA -0.204 58.231 58.200 0.391 0.000 1.002 762 S CB 1.107 64.541 63.200 0.391 0.000 0.998 762 S HN 1.119 nan 8.310 nan 0.000 0.542 763 Y N -1.828 118.626 120.300 0.257 0.000 2.677 763 Y HA 0.719 5.269 4.550 -0.000 0.000 0.334 763 Y C -1.225 174.843 175.900 0.280 0.000 1.154 763 Y CA -1.730 56.526 58.100 0.260 0.000 1.070 763 Y CB 0.565 39.128 38.460 0.171 0.000 1.294 763 Y HN 0.395 nan 8.280 nan 0.000 0.475 764 V N 2.722 122.965 119.914 0.548 0.000 2.338 764 V HA 0.578 4.697 4.120 -0.000 0.000 0.255 764 V C 0.700 177.071 176.094 0.463 0.000 1.082 764 V CA -0.225 62.329 62.300 0.423 0.000 0.951 764 V CB -0.787 31.274 31.823 0.396 0.000 1.102 764 V HN 0.945 nan 8.190 nan 0.000 0.489 765 A N 4.304 127.279 122.820 0.259 0.000 2.346 765 A HA 0.715 5.035 4.320 -0.000 0.000 0.252 765 A C 0.895 178.624 177.584 0.241 0.000 1.089 765 A CA 0.122 52.373 52.037 0.357 0.000 0.797 765 A CB 0.352 19.440 19.000 0.145 0.000 1.047 765 A HN 1.256 nan 8.150 nan 0.000 0.494 766 A N -0.078 122.865 122.820 0.205 0.000 2.491 766 A HA 0.493 4.813 4.320 -0.000 0.000 0.261 766 A C 1.447 179.089 177.584 0.097 0.000 1.101 766 A CA 0.732 52.849 52.037 0.133 0.000 0.772 766 A CB -0.971 18.076 19.000 0.077 0.000 1.043 766 A HN 2.702 nan 8.150 nan 0.000 0.501 767 G N 1.239 110.100 108.800 0.100 0.000 2.179 767 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 767 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 767 G C 0.670 175.607 174.900 0.062 0.000 0.990 767 G CA 0.605 45.745 45.100 0.068 0.000 0.646 767 G HN 1.391 nan 8.290 nan 0.000 0.517 768 S N -0.640 115.108 115.700 0.081 0.000 2.677 768 S HA 0.928 5.398 4.470 -0.000 0.000 0.290 768 S C 0.539 175.157 174.600 0.030 0.000 1.124 768 S CA 1.169 59.395 58.200 0.042 0.000 1.017 768 S CB 1.490 64.708 63.200 0.030 0.000 1.215 768 S HN 1.981 nan 8.310 nan 0.000 0.524 769 S N -1.527 114.154 115.700 -0.032 0.000 2.669 769 S HA 0.465 4.935 4.470 -0.000 0.000 0.266 769 S C 0.668 175.259 174.600 -0.014 0.000 1.149 769 S CA -0.208 57.840 58.200 -0.253 0.000 0.842 769 S CB 0.527 63.438 63.200 -0.481 0.000 1.160 769 S HN 0.953 nan 8.310 nan 0.000 0.487 770 G N 0.697 109.447 108.800 -0.083 0.000 2.572 770 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 770 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 770 G C 1.064 176.049 174.900 0.142 0.000 1.133 770 G CA 0.675 45.814 45.100 0.066 0.000 0.791 770 G HN 0.785 nan 8.290 nan 0.000 0.538 771 N N 0.923 119.647 118.700 0.041 0.000 2.331 771 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 771 N C 1.240 176.792 175.510 0.070 0.000 1.019 771 N CA 0.978 54.051 53.050 0.039 0.000 0.881 771 N CB -0.105 38.376 38.487 -0.011 0.000 0.972 771 N HN 0.068 nan 8.380 nan 0.000 0.435 772 D N 0.117 120.556 120.400 0.066 0.000 2.144 772 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 772 D C 1.420 177.710 176.300 -0.016 0.000 0.984 772 D CA 0.863 54.860 54.000 -0.005 0.000 0.834 772 D CB -0.436 40.311 40.800 -0.089 0.000 0.955 772 D HN 0.390 nan 8.370 nan 0.000 0.465 773 Y N 1.111 121.406 120.300 -0.008 0.000 2.256 773 Y HA -0.179 4.370 4.550 -0.000 0.000 0.288 773 Y C 2.125 178.026 175.900 0.002 0.000 1.155 773 Y CA 1.079 59.181 58.100 0.002 0.000 1.203 773 Y CB -0.025 38.435 38.460 0.000 0.000 0.980 773 Y HN -0.055 nan 8.280 nan 0.000 0.530 774 D N -0.428 120.066 120.400 0.155 0.000 2.120 774 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 774 D C 2.267 178.608 176.300 0.069 0.000 0.972 774 D CA 0.859 54.912 54.000 0.088 0.000 0.837 774 D CB -0.483 40.348 40.800 0.052 0.000 0.989 774 D HN 0.242 nan 8.370 nan 0.000 0.469 775 L N 0.260 121.521 121.223 0.063 0.000 2.021 775 L HA -0.239 4.101 4.340 -0.000 0.000 0.215 775 L C 2.451 179.405 176.870 0.139 0.000 1.074 775 L CA 0.922 55.835 54.840 0.122 0.000 0.760 775 L CB -0.469 41.675 42.059 0.142 0.000 0.889 775 L HN 0.079 nan 8.230 nan 0.000 0.433 776 M N -0.502 119.111 119.600 0.021 0.000 2.106 776 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 776 M C 2.468 178.752 176.300 -0.027 0.000 1.068 776 M CA 2.186 57.437 55.300 -0.082 0.000 1.100 776 M CB -1.456 31.113 32.600 -0.052 0.000 1.351 776 M HN 0.345 nan 8.290 nan 0.000 0.404 777 A N -1.134 121.735 122.820 0.081 0.000 2.067 777 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 777 A C 1.218 178.939 177.584 0.227 0.000 1.156 777 A CA 0.229 52.358 52.037 0.153 0.000 0.683 777 A CB -0.428 18.639 19.000 0.113 0.000 0.808 777 A HN 0.412 nan 8.150 nan 0.000 0.455 778 Q N 1.276 121.197 119.800 0.202 0.000 2.247 778 Q HA 0.142 4.482 4.340 -0.000 0.000 0.288 778 Q C -2.233 173.960 176.000 0.323 0.000 1.079 778 Q CA -1.822 54.103 55.803 0.204 0.000 0.932 778 Q CB 0.374 29.169 28.738 0.096 0.000 1.133 778 Q HN 0.375 nan 8.270 nan 0.000 0.377 779 P HA 0.115 nan 4.420 nan 0.000 0.273 779 P C -0.647 176.646 177.300 -0.011 0.000 1.250 779 P CA -0.189 62.871 63.100 -0.067 0.000 0.793 779 P CB 0.805 32.233 31.700 -0.454 0.000 1.011 780 I N 0.711 121.155 120.570 -0.209 0.000 2.362 780 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 780 I C 0.362 176.390 176.117 -0.149 0.000 0.994 780 I CA -0.279 60.957 61.300 -0.107 0.000 1.158 780 I CB 0.921 38.785 38.000 -0.226 0.000 1.315 780 I HN 0.166 nan 8.210 nan 0.000 0.451 781 T N 7.642 122.199 114.554 0.004 0.000 2.758 781 T HA 0.434 4.784 4.350 -0.000 0.000 0.285 781 T C -2.052 172.725 174.700 0.128 0.000 0.981 781 T CA -1.048 61.075 62.100 0.039 0.000 0.965 781 T CB 1.497 70.384 68.868 0.033 0.000 0.927 781 T HN 0.427 nan 8.240 nan 0.000 0.448 782 P HA 0.303 nan 4.420 nan 0.000 0.273 782 P C 0.443 177.809 177.300 0.109 0.000 1.250 782 P CA -0.386 62.837 63.100 0.204 0.000 0.793 782 P CB 0.488 32.312 31.700 0.207 0.000 1.011 783 G N 0.583 109.426 108.800 0.073 0.000 2.599 783 G HA2 0.451 4.410 3.960 -0.000 0.000 0.264 783 G HA3 0.451 4.410 3.960 -0.000 0.000 0.264 783 G C -2.356 172.565 174.900 0.035 0.000 1.200 783 G CA -0.981 44.147 45.100 0.047 0.000 0.896 783 G HN 0.414 nan 8.290 nan 0.000 0.536 784 P HA 0.233 nan 4.420 nan 0.000 0.274 784 P C 0.686 177.995 177.300 0.015 0.000 1.237 784 P CA -0.380 62.733 63.100 0.022 0.000 0.793 784 P CB 1.689 33.399 31.700 0.017 0.000 0.977 785 S N 0.611 116.320 115.700 0.015 0.000 2.374 785 S HA -0.006 4.464 4.470 -0.000 0.000 0.207 785 S C 0.905 175.509 174.600 0.006 0.000 1.042 785 S CA 0.612 58.818 58.200 0.010 0.000 1.034 785 S CB -0.708 62.500 63.200 0.013 0.000 1.018 785 S HN 0.425 nan 8.310 nan 0.000 0.419 786 I N 3.044 123.618 120.570 0.007 0.000 2.618 786 I HA 0.207 4.377 4.170 -0.000 0.000 0.284 786 I C -2.366 173.755 176.117 0.006 0.000 1.146 786 I CA -1.723 59.580 61.300 0.005 0.000 1.425 786 I CB -0.327 37.676 38.000 0.005 0.000 1.383 786 I HN 0.110 nan 8.210 nan 0.000 0.562 787 P HA 0.159 nan 4.420 nan 0.000 0.269 787 P C 0.832 178.134 177.300 0.005 0.000 1.209 787 P CA 0.282 63.385 63.100 0.005 0.000 0.776 787 P CB 0.656 32.358 31.700 0.004 0.000 0.876 788 G N 0.685 109.488 108.800 0.005 0.000 2.168 788 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.257 788 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.257 788 G C 0.401 175.303 174.900 0.004 0.000 0.997 788 G CA 0.089 45.191 45.100 0.004 0.000 0.708 788 G HN 0.846 nan 8.290 nan 0.000 0.520 789 A N 0.520 123.344 122.820 0.005 0.000 2.302 789 A HA 0.805 5.125 4.320 -0.000 0.000 0.285 789 A C -0.785 176.802 177.584 0.006 0.000 1.105 789 A CA -0.805 51.236 52.037 0.006 0.000 0.816 789 A CB 0.512 19.517 19.000 0.008 0.000 1.067 789 A HN 0.337 nan 8.150 nan 0.000 0.489 790 P HA 0.009 nan 4.420 nan 0.000 0.267 790 P C -0.426 176.876 177.300 0.004 0.000 1.201 790 P CA -0.038 63.063 63.100 0.001 0.000 0.775 790 P CB 0.265 31.963 31.700 -0.003 0.000 0.854 791 Q N 3.070 122.871 119.800 0.002 0.000 2.262 791 Q HA 0.076 4.416 4.340 -0.000 0.000 0.298 791 Q C -1.976 174.026 176.000 0.004 0.000 1.083 791 Q CA -0.693 55.114 55.803 0.005 0.000 0.962 791 Q CB -0.509 28.229 28.738 0.000 0.000 1.104 791 Q HN 0.275 nan 8.270 nan 0.000 0.376 792 P HA 0.162 nan 4.420 nan 0.000 0.278 792 P C -0.863 176.442 177.300 0.010 0.000 1.238 792 P CA -0.576 62.536 63.100 0.020 0.000 0.794 792 P CB 0.354 32.081 31.700 0.045 0.000 0.955 793 I N 1.392 121.956 120.570 -0.009 0.000 3.153 793 I HA -0.101 4.069 4.170 -0.000 0.000 0.330 793 I C -2.103 174.039 176.117 0.041 0.000 1.198 793 I CA -0.487 60.800 61.300 -0.021 0.000 1.475 793 I CB -1.494 36.470 38.000 -0.061 0.000 1.295 793 I HN 0.273 nan 8.210 nan 0.000 0.540 794 P HA 0.228 nan 4.420 nan 0.000 0.276 794 P C 0.107 177.434 177.300 0.046 0.000 1.230 794 P CA -0.273 62.805 63.100 -0.038 0.000 0.776 794 P CB 0.853 32.473 31.700 -0.133 0.000 0.888 795 R N 1.599 122.049 120.500 -0.083 0.000 2.342 795 R HA 0.264 4.604 4.340 -0.000 0.000 0.204 795 R C -0.211 176.055 176.300 -0.056 0.000 0.882 795 R CA 0.075 56.239 56.100 0.106 0.000 1.041 795 R CB 0.025 30.427 30.300 0.171 0.000 1.188 795 R HN 0.314 nan 8.270 nan 0.000 0.598 796 L N 1.402 122.336 121.223 -0.483 0.000 2.319 796 L HA 0.508 4.847 4.340 -0.000 0.000 0.281 796 L C -1.362 175.005 176.870 -0.839 0.000 1.005 796 L CA -0.719 53.786 54.840 -0.558 0.000 0.828 796 L CB 0.932 42.539 42.059 -0.753 0.000 1.227 796 L HN -0.193 nan 8.230 nan 0.000 0.415 797 F N 4.451 124.066 119.950 -0.558 0.000 2.538 797 F HA 0.650 5.176 4.527 -0.000 0.000 0.325 797 F C -0.600 174.776 175.800 -0.707 0.000 1.066 797 F CA -0.519 57.202 58.000 -0.465 0.000 0.946 797 F CB 1.716 40.606 39.000 -0.184 0.000 1.199 797 F HN 0.185 nan 8.300 nan 0.000 0.473 798 F N 1.207 121.245 119.950 0.147 0.000 2.518 798 F HA 0.760 5.287 4.527 -0.000 0.000 0.323 798 F C 0.022 175.834 175.800 0.021 0.000 1.129 798 F CA -0.782 57.257 58.000 0.064 0.000 0.920 798 F CB 1.696 40.712 39.000 0.027 0.000 1.160 798 F HN 0.586 nan 8.300 nan 0.000 0.440 799 A N 1.903 124.812 122.820 0.149 0.000 2.430 799 A HA 1.017 5.337 4.320 -0.000 0.000 0.300 799 A C -0.319 177.215 177.584 -0.084 0.000 1.124 799 A CA -0.505 51.542 52.037 0.017 0.000 0.766 799 A CB 1.817 20.814 19.000 -0.005 0.000 1.328 799 A HN 1.424 nan 8.150 nan 0.000 0.424 800 G N -0.274 108.418 108.800 -0.181 0.000 2.306 800 G HA2 0.355 4.315 3.960 -0.000 0.000 0.340 800 G HA3 0.355 4.315 3.960 -0.000 0.000 0.340 800 G C 0.258 175.003 174.900 -0.258 0.000 1.630 800 G CA 0.381 45.345 45.100 -0.226 0.000 0.937 800 G HN 1.081 nan 8.290 nan 0.000 0.693 801 E N 0.966 121.131 120.200 -0.058 0.000 2.277 801 E HA -0.346 4.004 4.350 -0.000 0.000 0.216 801 E C 1.603 178.272 176.600 0.115 0.000 1.068 801 E CA 2.468 58.888 56.400 0.033 0.000 0.866 801 E CB -0.374 29.381 29.700 0.090 0.000 0.749 801 E HN 0.916 nan 8.360 nan 0.000 0.465 802 H N -0.568 118.581 119.070 0.131 0.000 2.543 802 H HA 0.122 4.678 4.556 -0.000 0.000 0.269 802 H C 1.007 176.409 175.328 0.123 0.000 1.005 802 H CA 1.282 57.398 56.048 0.114 0.000 1.146 802 H CB -0.445 29.288 29.762 -0.047 0.000 1.353 802 H HN 0.236 nan 8.280 nan 0.000 0.595 803 T N -1.913 112.571 114.554 -0.118 0.000 3.084 803 T HA 0.283 4.633 4.350 -0.000 0.000 0.270 803 T C 0.486 175.243 174.700 0.095 0.000 1.008 803 T CA -0.410 61.672 62.100 -0.030 0.000 0.900 803 T CB -0.182 68.607 68.868 -0.132 0.000 1.084 803 T HN 0.284 nan 8.240 nan 0.000 0.538 804 I N 1.754 122.411 120.570 0.145 0.000 2.698 804 I HA 0.425 4.595 4.170 -0.000 0.000 0.276 804 I C 1.353 177.460 176.117 -0.016 0.000 1.166 804 I CA -1.130 60.213 61.300 0.071 0.000 1.101 804 I CB 0.697 38.726 38.000 0.048 0.000 1.305 804 I HN -0.002 nan 8.210 nan 0.000 0.526 805 R N 2.943 123.403 120.500 -0.065 0.000 2.265 805 R HA -0.276 4.064 4.340 -0.000 0.000 0.256 805 R C 0.843 176.936 176.300 -0.344 0.000 1.120 805 R CA 2.753 58.685 56.100 -0.280 0.000 0.956 805 R CB -0.032 30.198 30.300 -0.117 0.000 0.925 805 R HN 0.612 nan 8.270 nan 0.000 0.448 806 N N -1.367 117.158 118.700 -0.292 0.000 2.398 806 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 806 N C -0.545 174.529 175.510 -0.727 0.000 1.122 806 N CA 0.737 53.435 53.050 -0.588 0.000 0.866 806 N CB 0.550 38.401 38.487 -1.060 0.000 0.970 806 N HN 0.374 nan 8.380 nan 0.000 0.462 807 Y N -1.503 118.693 120.300 -0.175 0.000 2.885 807 Y HA 0.336 4.885 4.550 -0.000 0.000 0.258 807 Y C -2.520 173.300 175.900 -0.134 0.000 0.926 807 Y CA -1.733 56.310 58.100 -0.095 0.000 1.121 807 Y CB 0.856 39.327 38.460 0.019 0.000 1.213 807 Y HN -0.086 nan 8.280 nan 0.000 0.648 808 P HA 0.119 nan 4.420 nan 0.000 0.272 808 P C 0.673 177.951 177.300 -0.036 0.000 1.254 808 P CA 0.954 64.055 63.100 0.001 0.000 0.795 808 P CB 0.786 32.476 31.700 -0.017 0.000 1.022 809 A N -1.545 121.286 122.820 0.018 0.000 2.798 809 A HA -0.147 4.173 4.320 -0.000 0.000 0.282 809 A C 0.548 177.922 177.584 -0.349 0.000 1.464 809 A CA 1.697 53.647 52.037 -0.145 0.000 0.844 809 A CB -2.812 16.060 19.000 -0.213 0.000 1.006 809 A HN 0.727 nan 8.150 nan 0.000 0.577 810 T N -5.933 108.446 114.554 -0.291 0.000 2.841 810 T HA 0.641 4.991 4.350 -0.000 0.000 0.296 810 T C 0.814 175.308 174.700 -0.343 0.000 1.166 810 T CA -0.157 61.697 62.100 -0.411 0.000 1.007 810 T CB 1.550 69.962 68.868 -0.760 0.000 1.253 810 T HN 0.720 nan 8.240 nan 0.000 0.511 811 V N 1.754 121.503 119.914 -0.276 0.000 2.244 811 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 811 V C 2.787 178.795 176.094 -0.143 0.000 1.042 811 V CA 2.307 64.496 62.300 -0.185 0.000 1.006 811 V CB -1.238 30.499 31.823 -0.145 0.000 0.641 811 V HN 1.081 nan 8.190 nan 0.000 0.446 812 H N -0.027 119.069 119.070 0.044 0.000 2.426 812 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 812 H C 2.247 177.542 175.328 -0.056 0.000 1.107 812 H CA 1.719 57.787 56.048 0.032 0.000 1.298 812 H CB -0.753 29.117 29.762 0.180 0.000 1.377 812 H HN 0.441 nan 8.280 nan 0.000 0.519 813 G N 0.641 109.283 108.800 -0.263 0.000 2.421 813 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.217 813 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.217 813 G C 1.971 176.815 174.900 -0.094 0.000 1.143 813 G CA 1.051 46.092 45.100 -0.098 0.000 0.784 813 G HN 0.643 nan 8.290 nan 0.000 0.541 814 A N 1.172 123.924 122.820 -0.115 0.000 1.832 814 A HA 0.120 4.440 4.320 -0.000 0.000 0.214 814 A C 2.319 179.848 177.584 -0.092 0.000 1.204 814 A CA 1.347 53.330 52.037 -0.089 0.000 0.606 814 A CB -0.788 18.162 19.000 -0.085 0.000 0.849 814 A HN 0.307 nan 8.150 nan 0.000 0.445 815 L N 0.098 121.266 121.223 -0.093 0.000 2.058 815 L HA -0.265 4.075 4.340 -0.000 0.000 0.226 815 L C 2.351 179.133 176.870 -0.147 0.000 1.089 815 L CA 2.450 57.229 54.840 -0.102 0.000 0.799 815 L CB -1.258 40.755 42.059 -0.077 0.000 0.900 815 L HN 0.500 nan 8.230 nan 0.000 0.442 816 L N -0.235 120.893 121.223 -0.158 0.000 2.131 816 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 816 L C 2.752 179.540 176.870 -0.136 0.000 1.092 816 L CA 1.472 56.195 54.840 -0.195 0.000 0.759 816 L CB -0.490 41.421 42.059 -0.245 0.000 0.903 816 L HN 0.500 nan 8.230 nan 0.000 0.435 817 S N -0.579 115.062 115.700 -0.098 0.000 2.406 817 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 817 S C 2.049 176.612 174.600 -0.062 0.000 1.020 817 S CA 0.719 58.881 58.200 -0.063 0.000 0.965 817 S CB -0.664 62.502 63.200 -0.056 0.000 0.798 817 S HN 0.400 nan 8.310 nan 0.000 0.488 818 G N 2.479 111.230 108.800 -0.081 0.000 2.433 818 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 818 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 818 G C 1.467 176.310 174.900 -0.096 0.000 1.186 818 G CA 0.946 45.995 45.100 -0.084 0.000 0.779 818 G HN 0.489 nan 8.290 nan 0.000 0.543 819 L N -0.025 121.125 121.223 -0.122 0.000 2.013 819 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 819 L C 2.947 179.766 176.870 -0.086 0.000 1.073 819 L CA 1.649 56.415 54.840 -0.123 0.000 0.753 819 L CB -0.553 41.391 42.059 -0.192 0.000 0.890 819 L HN 0.225 nan 8.230 nan 0.000 0.432 820 R N 0.206 120.661 120.500 -0.074 0.000 2.097 820 R HA -0.208 4.132 4.340 -0.000 0.000 0.236 820 R C 2.307 178.587 176.300 -0.034 0.000 1.135 820 R CA 1.798 57.875 56.100 -0.038 0.000 0.934 820 R CB -0.073 30.220 30.300 -0.011 0.000 0.846 820 R HN 0.242 nan 8.270 nan 0.000 0.431 821 E N 0.351 120.535 120.200 -0.027 0.000 2.051 821 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 821 E C 1.881 178.426 176.600 -0.092 0.000 0.991 821 E CA 1.393 57.777 56.400 -0.027 0.000 0.799 821 E CB -0.549 29.143 29.700 -0.014 0.000 0.748 821 E HN 0.470 nan 8.360 nan 0.000 0.449 822 A N 0.933 123.704 122.820 -0.081 0.000 1.884 822 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 822 A C 2.497 180.120 177.584 0.064 0.000 1.197 822 A CA 2.473 54.488 52.037 -0.038 0.000 0.637 822 A CB -1.385 17.578 19.000 -0.062 0.000 0.827 822 A HN 0.362 nan 8.150 nan 0.000 0.450 823 G N -0.407 108.401 108.800 0.013 0.000 2.529 823 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.219 823 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.219 823 G C 1.754 176.561 174.900 -0.154 0.000 1.177 823 G CA 1.523 46.535 45.100 -0.146 0.000 0.773 823 G HN 0.690 nan 8.290 nan 0.000 0.573 824 R N 0.024 120.464 120.500 -0.100 0.000 2.092 824 R HA 0.101 4.440 4.340 -0.000 0.000 0.231 824 R C 2.525 178.805 176.300 -0.034 0.000 1.119 824 R CA 1.078 57.165 56.100 -0.023 0.000 0.970 824 R CB -0.367 29.980 30.300 0.078 0.000 0.864 824 R HN 0.410 nan 8.270 nan 0.000 0.440 825 I N 1.232 121.695 120.570 -0.179 0.000 2.142 825 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 825 I C 2.599 178.732 176.117 0.027 0.000 1.078 825 I CA 1.590 62.742 61.300 -0.246 0.000 1.343 825 I CB -0.353 37.333 38.000 -0.524 0.000 1.046 825 I HN 0.355 nan 8.210 nan 0.000 0.405 826 A N 0.396 123.224 122.820 0.014 0.000 1.859 826 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 826 A C 1.983 179.563 177.584 -0.008 0.000 1.198 826 A CA 2.414 54.463 52.037 0.020 0.000 0.629 826 A CB -1.017 17.922 19.000 -0.101 0.000 0.830 826 A HN 0.397 nan 8.150 nan 0.000 0.446 827 D N -1.069 119.301 120.400 -0.049 0.000 2.191 827 D HA -0.270 4.370 4.640 -0.000 0.000 0.190 827 D C 2.018 178.292 176.300 -0.044 0.000 1.007 827 D CA 2.132 56.109 54.000 -0.038 0.000 0.865 827 D CB -0.438 40.355 40.800 -0.012 0.000 0.929 827 D HN 0.691 nan 8.370 nan 0.000 0.447 828 Q N -1.202 118.590 119.800 -0.012 0.000 2.084 828 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 828 Q C 1.690 177.518 176.000 -0.287 0.000 0.978 828 Q CA 1.400 57.128 55.803 -0.124 0.000 0.844 828 Q CB -0.197 28.509 28.738 -0.054 0.000 0.898 828 Q HN 0.349 nan 8.270 nan 0.000 0.426 829 F N -1.427 118.507 119.950 -0.027 0.000 2.559 829 F HA 0.226 4.753 4.527 -0.000 0.000 0.286 829 F C 1.315 177.102 175.800 -0.021 0.000 1.108 829 F CA 0.171 58.161 58.000 -0.016 0.000 1.436 829 F CB 0.495 39.483 39.000 -0.020 0.000 1.130 829 F HN -0.016 nan 8.300 nan 0.000 0.584 830 L N -0.615 120.677 121.223 0.115 0.000 2.616 830 L HA 0.428 4.768 4.340 -0.000 0.000 0.229 830 L C 0.795 177.659 176.870 -0.011 0.000 1.110 830 L CA 0.215 55.083 54.840 0.046 0.000 0.884 830 L CB -0.747 41.329 42.059 0.027 0.000 1.115 830 L HN 0.157 nan 8.230 nan 0.000 0.481 831 G N 1.095 109.871 108.800 -0.041 0.000 2.750 831 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 831 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 831 G C -0.313 174.523 174.900 -0.107 0.000 1.395 831 G CA -0.387 44.663 45.100 -0.083 0.000 0.918 831 G HN 0.387 nan 8.290 nan 0.000 0.594 832 A N 2.935 125.642 122.820 -0.188 0.000 2.280 832 A HA 0.646 4.966 4.320 -0.000 0.000 0.320 832 A C 1.360 178.735 177.584 -0.349 0.000 1.366 832 A CA -0.044 51.786 52.037 -0.346 0.000 0.938 832 A CB 0.348 18.969 19.000 -0.631 0.000 1.157 832 A HN 0.786 nan 8.150 nan 0.000 0.536 833 M N 1.806 121.299 119.600 -0.178 0.000 2.349 833 M HA -0.048 4.432 4.480 -0.000 0.000 0.266 833 M C 1.574 177.802 176.300 -0.121 0.000 1.076 833 M CA 1.468 56.705 55.300 -0.104 0.000 1.126 833 M CB -1.530 31.068 32.600 -0.004 0.000 1.392 833 M HN 0.989 nan 8.290 nan 0.000 0.440 834 Y N 0.471 120.702 120.300 -0.116 0.000 2.561 834 Y HA 0.067 4.617 4.550 -0.000 0.000 0.291 834 Y C 2.153 177.885 175.900 -0.280 0.000 1.141 834 Y CA 1.061 59.059 58.100 -0.170 0.000 1.303 834 Y CB -1.763 36.610 38.460 -0.146 0.000 1.015 834 Y HN 0.305 nan 8.280 nan 0.000 0.547 835 T N -2.222 111.995 114.554 -0.560 0.000 3.072 835 T HA 0.076 4.426 4.350 -0.000 0.000 0.266 835 T C 0.547 175.055 174.700 -0.320 0.000 1.127 835 T CA 0.115 61.926 62.100 -0.481 0.000 1.107 835 T CB -0.387 68.211 68.868 -0.451 0.000 0.910 835 T HN 0.164 nan 8.240 nan 0.000 0.513 836 L N 0.000 121.083 121.223 -0.234 0.000 2.949 836 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 836 L CA 0.000 54.751 54.840 -0.148 0.000 0.813 836 L CB 0.000 41.998 42.059 -0.102 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502