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 2xas_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 0.000 177.216 177.300 -0.140 0.000 1.155 171 P CA 0.000 62.929 63.100 -0.284 0.000 0.800 171 P CB 0.000 31.469 31.700 -0.385 0.000 0.726 172 S N -0.895 114.740 115.700 -0.109 0.000 2.688 172 S HA 0.865 5.335 4.470 -0.000 0.000 0.275 172 S C 0.193 174.751 174.600 -0.070 0.000 1.175 172 S CA 0.655 58.815 58.200 -0.066 0.000 0.818 172 S CB 1.302 64.471 63.200 -0.052 0.000 1.157 172 S HN 1.756 nan 8.310 nan 0.000 0.482 173 G N -0.035 108.732 108.800 -0.055 0.000 2.499 173 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.232 173 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.232 173 G C 0.825 175.676 174.900 -0.082 0.000 1.251 173 G CA 0.790 45.854 45.100 -0.059 0.000 0.917 173 G HN 2.088 nan 8.290 nan 0.000 0.580 174 V N -2.054 117.788 119.914 -0.121 0.000 2.548 174 V HA 0.143 4.263 4.120 -0.000 0.000 0.249 174 V C 2.213 178.232 176.094 -0.127 0.000 1.055 174 V CA 2.820 65.008 62.300 -0.187 0.000 1.065 174 V CB -0.736 30.855 31.823 -0.387 0.000 0.681 174 V HN 0.725 nan 8.190 nan 0.000 0.462 175 E N 1.445 121.582 120.200 -0.105 0.000 2.338 175 E HA 0.052 4.402 4.350 -0.000 0.000 0.197 175 E C 2.219 178.809 176.600 -0.017 0.000 1.007 175 E CA 0.924 57.276 56.400 -0.080 0.000 0.849 175 E CB -0.460 29.078 29.700 -0.270 0.000 0.774 175 E HN 0.733 nan 8.360 nan 0.000 0.506 176 G N 1.634 110.421 108.800 -0.022 0.000 2.453 176 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.215 176 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.215 176 G C 1.715 176.686 174.900 0.118 0.000 1.201 176 G CA 0.934 46.064 45.100 0.051 0.000 0.784 176 G HN 0.368 nan 8.290 nan 0.000 0.545 177 A N 1.320 124.163 122.820 0.038 0.000 1.915 177 A HA 0.013 4.333 4.320 -0.000 0.000 0.220 177 A C 2.852 180.468 177.584 0.053 0.000 1.198 177 A CA 3.056 55.111 52.037 0.030 0.000 0.647 177 A CB -1.082 17.910 19.000 -0.014 0.000 0.825 177 A HN 1.074 nan 8.150 nan 0.000 0.456 178 A N -1.599 121.256 122.820 0.059 0.000 1.940 178 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 178 A C 2.076 179.736 177.584 0.126 0.000 1.176 178 A CA 1.779 53.864 52.037 0.081 0.000 0.631 178 A CB -0.644 18.420 19.000 0.107 0.000 0.814 178 A HN 0.908 nan 8.150 nan 0.000 0.446 179 F N 0.391 120.358 119.950 0.029 0.000 2.149 179 F HA -0.033 4.493 4.527 -0.000 0.000 0.294 179 F C 2.201 178.021 175.800 0.032 0.000 1.095 179 F CA 1.821 59.846 58.000 0.041 0.000 1.276 179 F CB -0.346 38.665 39.000 0.019 0.000 1.023 179 F HN 0.291 nan 8.300 nan 0.000 0.480 180 Q N 0.473 120.224 119.800 -0.082 0.000 2.437 180 Q HA -0.057 4.283 4.340 -0.000 0.000 0.210 180 Q C 1.147 177.040 176.000 -0.178 0.000 0.972 180 Q CA 1.614 57.296 55.803 -0.201 0.000 0.903 180 Q CB -0.509 28.224 28.738 -0.007 0.000 0.967 180 Q HN 0.310 nan 8.270 nan 0.000 0.486 181 S N -0.022 115.623 115.700 -0.092 0.000 2.582 181 S HA 0.281 4.751 4.470 -0.000 0.000 0.234 181 S C -0.457 174.113 174.600 -0.049 0.000 0.961 181 S CA -0.163 58.017 58.200 -0.034 0.000 0.953 181 S CB 0.029 63.256 63.200 0.046 0.000 0.800 181 S HN 0.481 nan 8.310 nan 0.000 0.471 182 R N 0.144 120.578 120.500 -0.111 0.000 3.770 182 R HA -0.166 4.174 4.340 -0.000 0.000 0.305 182 R C -1.138 175.200 176.300 0.063 0.000 1.184 182 R CA 0.562 56.655 56.100 -0.012 0.000 0.823 182 R CB -2.143 28.198 30.300 0.068 0.000 1.285 182 R HN 0.320 nan 8.270 nan 0.000 0.499 183 L N 0.257 121.515 121.223 0.058 0.000 2.386 183 L HA 0.550 4.890 4.340 -0.000 0.000 0.271 183 L C -2.107 174.831 176.870 0.113 0.000 0.993 183 L CA -2.488 52.404 54.840 0.087 0.000 0.819 183 L CB 1.729 43.827 42.059 0.065 0.000 1.294 183 L HN -0.246 nan 8.230 nan 0.000 0.414 184 P HA -0.017 nan 4.420 nan 0.000 0.261 184 P C 0.055 177.369 177.300 0.025 0.000 1.203 184 P CA 0.082 63.231 63.100 0.082 0.000 0.767 184 P CB 0.297 32.013 31.700 0.027 0.000 0.785 185 H N 2.144 121.235 119.070 0.034 0.000 2.518 185 H HA -0.104 4.451 4.556 -0.000 0.000 0.289 185 H C 0.515 175.829 175.328 -0.023 0.000 1.051 185 H CA 1.536 57.580 56.048 -0.007 0.000 1.280 185 H CB -0.293 29.469 29.762 0.000 0.000 1.380 185 H HN 0.298 nan 8.280 nan 0.000 0.566 186 D N -0.918 119.071 120.400 -0.685 0.000 2.582 186 D HA 0.184 4.824 4.640 -0.000 0.000 0.246 186 D C 0.165 176.327 176.300 -0.229 0.000 1.334 186 D CA -0.459 53.242 54.000 -0.499 0.000 0.805 186 D CB 0.206 40.561 40.800 -0.741 0.000 1.087 186 D HN 0.361 nan 8.370 nan 0.000 0.499 187 R N -0.095 120.313 120.500 -0.154 0.000 2.668 187 R HA 0.532 4.872 4.340 -0.000 0.000 0.272 187 R C -1.154 175.143 176.300 -0.006 0.000 1.019 187 R CA -0.674 55.392 56.100 -0.056 0.000 0.894 187 R CB 1.972 32.245 30.300 -0.046 0.000 1.228 187 R HN -0.061 nan 8.270 nan 0.000 0.460 188 M N 2.583 122.211 119.600 0.048 0.000 2.188 188 M HA 0.204 4.684 4.480 -0.000 0.000 0.357 188 M C 0.497 176.847 176.300 0.083 0.000 1.204 188 M CA -0.437 54.925 55.300 0.104 0.000 1.095 188 M CB 1.721 34.413 32.600 0.154 0.000 1.604 188 M HN 0.714 nan 8.290 nan 0.000 0.464 189 T N -0.756 113.857 114.554 0.099 0.000 2.813 189 T HA 0.108 4.458 4.350 -0.000 0.000 0.297 189 T C 1.147 175.904 174.700 0.096 0.000 1.036 189 T CA -0.500 61.659 62.100 0.097 0.000 1.044 189 T CB 1.204 70.142 68.868 0.117 0.000 0.993 189 T HN 0.681 nan 8.240 nan 0.000 0.535 190 S N 0.070 115.820 115.700 0.083 0.000 2.359 190 S HA -0.220 4.250 4.470 -0.000 0.000 0.224 190 S C 2.104 176.761 174.600 0.094 0.000 1.035 190 S CA 1.924 60.168 58.200 0.074 0.000 1.018 190 S CB -0.871 62.365 63.200 0.059 0.000 0.876 190 S HN 0.895 nan 8.310 nan 0.000 0.448 191 Q N 0.902 120.766 119.800 0.107 0.000 2.082 191 Q HA -0.242 4.098 4.340 -0.000 0.000 0.211 191 Q C 1.819 177.967 176.000 0.245 0.000 1.002 191 Q CA 2.626 58.517 55.803 0.147 0.000 0.868 191 Q CB -0.453 28.365 28.738 0.133 0.000 0.931 191 Q HN 0.698 nan 8.270 nan 0.000 0.414 192 E N -0.567 119.769 120.200 0.226 0.000 2.046 192 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 192 E C 1.994 178.712 176.600 0.197 0.000 0.982 192 E CA 0.747 57.261 56.400 0.190 0.000 0.800 192 E CB -0.331 29.421 29.700 0.086 0.000 0.756 192 E HN 0.515 nan 8.360 nan 0.000 0.449 193 A N 1.620 124.509 122.820 0.115 0.000 1.929 193 A HA -0.332 3.988 4.320 -0.000 0.000 0.221 193 A C 2.399 180.036 177.584 0.088 0.000 1.211 193 A CA 2.348 54.432 52.037 0.079 0.000 0.657 193 A CB -1.027 18.008 19.000 0.059 0.000 0.827 193 A HN 0.341 nan 8.150 nan 0.000 0.462 194 A N -1.499 121.385 122.820 0.106 0.000 1.930 194 A HA -0.121 4.198 4.320 -0.000 0.000 0.217 194 A C 2.185 179.808 177.584 0.065 0.000 1.175 194 A CA 1.732 53.818 52.037 0.082 0.000 0.627 194 A CB -1.048 18.009 19.000 0.094 0.000 0.815 194 A HN 0.754 nan 8.150 nan 0.000 0.443 195 C N -2.522 116.849 119.300 0.119 0.000 2.594 195 C HA 0.333 4.793 4.460 -0.000 0.000 0.265 195 C C 0.520 175.231 174.990 -0.464 0.000 1.351 195 C CA -0.253 58.707 59.018 -0.097 0.000 1.744 195 C CB -1.462 26.275 27.740 -0.006 0.000 1.890 195 C HN 0.487 nan 8.230 nan 0.000 0.551 196 F N 0.818 120.698 119.950 -0.116 0.000 2.619 196 F HA 0.279 4.806 4.527 -0.000 0.000 0.382 196 F C -1.439 174.256 175.800 -0.175 0.000 1.466 196 F CA -1.828 56.044 58.000 -0.212 0.000 1.137 196 F CB 0.043 38.756 39.000 -0.478 0.000 1.205 196 F HN -0.008 nan 8.300 nan 0.000 0.525 197 P HA -0.171 nan 4.420 nan 0.000 0.220 197 P C 1.171 178.466 177.300 -0.008 0.000 1.148 197 P CA 1.517 64.617 63.100 -0.001 0.000 0.803 197 P CB 0.191 31.883 31.700 -0.014 0.000 0.782 198 D N 0.770 121.162 120.400 -0.013 0.000 2.092 198 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 198 D C 2.112 178.406 176.300 -0.010 0.000 0.994 198 D CA 1.096 55.090 54.000 -0.009 0.000 0.828 198 D CB -1.022 39.773 40.800 -0.008 0.000 0.963 198 D HN 0.209 nan 8.370 nan 0.000 0.450 199 I N 0.685 121.242 120.570 -0.022 0.000 2.142 199 I HA -0.191 3.979 4.170 -0.000 0.000 0.240 199 I C 2.881 178.963 176.117 -0.057 0.000 1.078 199 I CA 0.783 62.043 61.300 -0.067 0.000 1.343 199 I CB -0.167 37.705 38.000 -0.213 0.000 1.046 199 I HN -0.035 nan 8.210 nan 0.000 0.405 200 I N 0.542 121.074 120.570 -0.064 0.000 2.493 200 I HA -0.236 3.934 4.170 -0.000 0.000 0.254 200 I C 2.405 178.519 176.117 -0.006 0.000 1.160 200 I CA 1.368 62.650 61.300 -0.029 0.000 1.445 200 I CB 0.069 38.057 38.000 -0.020 0.000 1.086 200 I HN 0.292 nan 8.210 nan 0.000 0.433 201 S N -0.350 115.346 115.700 -0.006 0.000 2.593 201 S HA 0.146 4.615 4.470 -0.000 0.000 0.217 201 S C 1.164 175.765 174.600 0.002 0.000 0.966 201 S CA 0.026 58.226 58.200 0.000 0.000 0.914 201 S CB -0.518 62.682 63.200 -0.001 0.000 0.776 201 S HN 0.361 nan 8.310 nan 0.000 0.523 202 G N 2.309 111.109 108.800 0.001 0.000 2.516 202 G HA2 0.497 4.457 3.960 -0.000 0.000 0.276 202 G HA3 0.497 4.457 3.960 -0.000 0.000 0.276 202 G C -2.720 172.188 174.900 0.014 0.000 1.390 202 G CA -1.412 43.692 45.100 0.007 0.000 1.050 202 G HN 0.353 nan 8.290 nan 0.000 0.519 203 P HA 0.199 nan 4.420 nan 0.000 0.284 203 P C 0.417 177.736 177.300 0.032 0.000 1.253 203 P CA -0.445 62.668 63.100 0.023 0.000 0.800 203 P CB 1.492 33.205 31.700 0.022 0.000 0.961 204 Q N 1.319 121.138 119.800 0.031 0.000 2.197 204 Q HA -0.259 4.081 4.340 -0.000 0.000 0.211 204 Q C 1.740 177.770 176.000 0.051 0.000 0.993 204 Q CA 1.873 57.699 55.803 0.038 0.000 0.883 204 Q CB -0.502 28.255 28.738 0.032 0.000 0.916 204 Q HN 0.508 nan 8.270 nan 0.000 0.418 205 Q N 0.280 120.109 119.800 0.048 0.000 2.084 205 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 205 Q C 1.841 177.888 176.000 0.079 0.000 0.978 205 Q CA 2.372 58.209 55.803 0.057 0.000 0.844 205 Q CB -0.541 28.221 28.738 0.040 0.000 0.898 205 Q HN 0.521 nan 8.270 nan 0.000 0.426 206 T N 0.138 114.736 114.554 0.074 0.000 2.777 206 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 206 T C 1.779 176.560 174.700 0.134 0.000 1.040 206 T CA 1.372 63.529 62.100 0.095 0.000 1.141 206 T CB -0.311 68.598 68.868 0.068 0.000 0.868 206 T HN 0.384 nan 8.240 nan 0.000 0.444 207 Q N 1.075 120.943 119.800 0.113 0.000 2.133 207 Q HA -0.155 4.185 4.340 -0.000 0.000 0.208 207 Q C 2.435 178.548 176.000 0.189 0.000 0.991 207 Q CA 1.466 57.367 55.803 0.163 0.000 0.867 207 Q CB -0.255 28.547 28.738 0.107 0.000 0.911 207 Q HN 0.494 nan 8.270 nan 0.000 0.417 208 K N -0.013 120.468 120.400 0.134 0.000 2.097 208 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 208 K C 2.111 178.808 176.600 0.162 0.000 1.049 208 K CA 1.394 57.756 56.287 0.126 0.000 0.933 208 K CB -0.021 32.549 32.500 0.117 0.000 0.717 208 K HN 0.081 nan 8.250 nan 0.000 0.442 209 V N 1.231 121.266 119.914 0.202 0.000 2.295 209 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 209 V C 2.027 178.241 176.094 0.199 0.000 1.049 209 V CA 1.781 64.235 62.300 0.256 0.000 1.024 209 V CB -0.740 31.239 31.823 0.260 0.000 0.648 209 V HN 0.225 nan 8.190 nan 0.000 0.447 210 F N 1.167 121.140 119.950 0.039 0.000 2.026 210 F HA -0.210 4.317 4.527 -0.000 0.000 0.296 210 F C 2.116 177.878 175.800 -0.064 0.000 1.133 210 F CA 1.757 59.727 58.000 -0.049 0.000 1.188 210 F CB -0.806 38.110 39.000 -0.139 0.000 0.968 210 F HN 0.019 nan 8.300 nan 0.000 0.476 211 L N -0.691 120.264 121.223 -0.447 0.000 2.034 211 L HA -0.295 4.044 4.340 -0.000 0.000 0.217 211 L C 2.581 179.257 176.870 -0.324 0.000 1.077 211 L CA 2.156 56.691 54.840 -0.508 0.000 0.769 211 L CB -1.057 40.887 42.059 -0.192 0.000 0.890 211 L HN 0.327 nan 8.230 nan 0.000 0.435 212 F N 0.471 120.239 119.950 -0.302 0.000 2.126 212 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 212 F C 2.303 177.898 175.800 -0.342 0.000 1.096 212 F CA 1.598 59.392 58.000 -0.343 0.000 1.255 212 F CB -0.049 38.618 39.000 -0.554 0.000 0.997 212 F HN -0.086 nan 8.300 nan 0.000 0.479 213 I N 0.084 120.658 120.570 0.007 0.000 2.142 213 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 213 I C 2.700 178.758 176.117 -0.099 0.000 1.078 213 I CA 1.366 62.689 61.300 0.039 0.000 1.343 213 I CB -0.757 37.307 38.000 0.107 0.000 1.046 213 I HN 0.116 nan 8.210 nan 0.000 0.405 214 R N 1.594 121.942 120.500 -0.253 0.000 2.154 214 R HA -0.264 4.076 4.340 -0.000 0.000 0.236 214 R C 2.087 178.266 176.300 -0.202 0.000 1.121 214 R CA 2.673 58.613 56.100 -0.266 0.000 0.915 214 R CB -0.738 29.244 30.300 -0.531 0.000 0.856 214 R HN 0.347 nan 8.270 nan 0.000 0.431 215 N N 0.441 118.973 118.700 -0.280 0.000 2.091 215 N HA -0.217 4.523 4.740 -0.000 0.000 0.193 215 N C 1.862 177.207 175.510 -0.275 0.000 1.021 215 N CA 1.608 54.504 53.050 -0.257 0.000 0.862 215 N CB -0.500 37.800 38.487 -0.312 0.000 1.018 215 N HN 0.216 nan 8.380 nan 0.000 0.429 216 R N 0.611 120.872 120.500 -0.398 0.000 2.075 216 R HA 0.049 4.389 4.340 -0.000 0.000 0.232 216 R C 1.892 178.131 176.300 -0.101 0.000 1.126 216 R CA 1.638 57.537 56.100 -0.336 0.000 0.963 216 R CB -0.971 29.088 30.300 -0.401 0.000 0.858 216 R HN 0.224 nan 8.270 nan 0.000 0.435 217 T N 1.255 115.786 114.554 -0.038 0.000 2.708 217 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 217 T C 1.854 176.604 174.700 0.084 0.000 1.037 217 T CA 1.524 63.658 62.100 0.058 0.000 1.146 217 T CB -0.331 68.592 68.868 0.092 0.000 0.865 217 T HN 0.112 nan 8.240 nan 0.000 0.435 218 L N 0.864 122.119 121.223 0.053 0.000 1.978 218 L HA -0.280 4.060 4.340 -0.000 0.000 0.218 218 L C 2.974 179.909 176.870 0.108 0.000 1.075 218 L CA 1.929 56.839 54.840 0.116 0.000 0.767 218 L CB -0.671 41.422 42.059 0.057 0.000 0.890 218 L HN 0.327 nan 8.230 nan 0.000 0.434 219 Q N 0.035 119.840 119.800 0.009 0.000 2.047 219 Q HA -0.285 4.055 4.340 -0.000 0.000 0.211 219 Q C 2.310 178.308 176.000 -0.002 0.000 1.005 219 Q CA 2.246 58.035 55.803 -0.024 0.000 0.866 219 Q CB -0.287 28.405 28.738 -0.076 0.000 0.938 219 Q HN 0.439 nan 8.270 nan 0.000 0.414 220 L N -0.076 121.167 121.223 0.032 0.000 1.990 220 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 220 L C 2.411 179.328 176.870 0.078 0.000 1.072 220 L CA 1.975 56.846 54.840 0.051 0.000 0.755 220 L CB -0.894 41.214 42.059 0.082 0.000 0.889 220 L HN 0.582 nan 8.230 nan 0.000 0.432 221 W N 0.826 122.099 121.300 -0.045 0.000 2.317 221 W HA -0.275 4.384 4.660 -0.000 0.000 0.318 221 W C 2.148 178.616 176.519 -0.085 0.000 1.227 221 W CA 1.584 58.884 57.345 -0.076 0.000 1.269 221 W CB -0.369 29.035 29.460 -0.093 0.000 1.155 221 W HN 0.114 nan 8.180 nan 0.000 0.484 222 L N 0.902 121.929 121.223 -0.328 0.000 2.042 222 L HA -0.259 4.080 4.340 -0.000 0.000 0.210 222 L C 2.123 178.774 176.870 -0.364 0.000 1.076 222 L CA 1.733 56.297 54.840 -0.460 0.000 0.749 222 L CB -1.046 40.903 42.059 -0.183 0.000 0.893 222 L HN -0.101 nan 8.230 nan 0.000 0.432 223 D N -0.035 120.237 120.400 -0.213 0.000 2.392 223 D HA -0.096 4.544 4.640 -0.000 0.000 0.228 223 D C 0.329 176.525 176.300 -0.173 0.000 1.003 223 D CA 0.806 54.714 54.000 -0.154 0.000 0.917 223 D CB -0.133 40.616 40.800 -0.086 0.000 0.890 223 D HN 0.206 nan 8.370 nan 0.000 0.532 224 N N -0.599 117.943 118.700 -0.264 0.000 3.560 224 N HA 0.031 4.771 4.740 -0.000 0.000 0.183 224 N C -2.777 172.505 175.510 -0.380 0.000 1.495 224 N CA -0.763 52.149 53.050 -0.229 0.000 0.793 224 N CB 0.906 39.327 38.487 -0.109 0.000 1.681 224 N HN -0.226 nan 8.380 nan 0.000 0.667 225 P HA 0.291 nan 4.420 nan 0.000 0.269 225 P C 0.407 177.480 177.300 -0.378 0.000 1.478 225 P CA 0.094 62.574 63.100 -1.033 0.000 1.045 225 P CB 0.358 31.237 31.700 -1.369 0.000 1.512 226 K N 0.476 120.785 120.400 -0.151 0.000 2.404 226 K HA 0.211 4.531 4.320 -0.000 0.000 0.194 226 K C 0.828 177.493 176.600 0.108 0.000 1.023 226 K CA 0.214 56.502 56.287 0.002 0.000 1.094 226 K CB 0.234 32.721 32.500 -0.023 0.000 0.841 226 K HN 0.342 nan 8.250 nan 0.000 0.523 227 I N -1.976 118.677 120.570 0.138 0.000 2.619 227 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 227 I C -0.436 175.826 176.117 0.243 0.000 1.100 227 I CA -1.210 60.201 61.300 0.185 0.000 1.043 227 I CB 1.777 39.841 38.000 0.107 0.000 1.239 227 I HN -0.164 nan 8.210 nan 0.000 0.420 228 Q N 3.642 123.570 119.800 0.214 0.000 2.369 228 Q HA 0.148 4.488 4.340 -0.000 0.000 0.295 228 Q C -1.392 174.656 176.000 0.079 0.000 1.075 228 Q CA 0.032 55.863 55.803 0.047 0.000 0.941 228 Q CB 1.061 29.848 28.738 0.082 0.000 1.260 228 Q HN 0.745 nan 8.270 nan 0.000 0.417 229 L N 4.520 125.765 121.223 0.036 0.000 2.318 229 L HA 0.360 4.699 4.340 -0.000 0.000 0.277 229 L C -0.527 176.465 176.870 0.204 0.000 1.008 229 L CA -0.180 54.736 54.840 0.128 0.000 0.846 229 L CB 1.376 43.549 42.059 0.190 0.000 1.220 229 L HN 0.800 nan 8.230 nan 0.000 0.423 230 T N 0.560 115.189 114.554 0.125 0.000 2.849 230 T HA 0.152 4.502 4.350 -0.000 0.000 0.284 230 T C 0.956 175.579 174.700 -0.129 0.000 1.004 230 T CA -0.350 61.783 62.100 0.056 0.000 1.021 230 T CB 0.631 69.523 68.868 0.040 0.000 1.013 230 T HN 0.439 nan 8.240 nan 0.000 0.527 231 F N 1.304 120.941 119.950 -0.521 0.000 2.216 231 F HA 0.011 4.537 4.527 -0.000 0.000 0.300 231 F C 1.865 177.564 175.800 -0.167 0.000 1.085 231 F CA 1.390 59.068 58.000 -0.538 0.000 1.326 231 F CB -0.644 38.191 39.000 -0.276 0.000 1.027 231 F HN 0.646 nan 8.300 nan 0.000 0.497 232 E N 0.804 120.861 120.200 -0.237 0.000 2.001 232 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 232 E C 2.460 178.941 176.600 -0.198 0.000 0.994 232 E CA 1.623 57.864 56.400 -0.265 0.000 0.815 232 E CB -1.231 28.407 29.700 -0.103 0.000 0.770 232 E HN 0.317 nan 8.360 nan 0.000 0.453 233 A N 0.482 123.249 122.820 -0.090 0.000 2.009 233 A HA -0.306 4.014 4.320 -0.000 0.000 0.222 233 A C 2.307 179.870 177.584 -0.035 0.000 1.175 233 A CA 2.531 54.546 52.037 -0.037 0.000 0.651 233 A CB -1.281 17.726 19.000 0.012 0.000 0.815 233 A HN 0.341 nan 8.150 nan 0.000 0.459 234 T N -0.312 114.209 114.554 -0.056 0.000 2.643 234 T HA -0.085 4.265 4.350 -0.000 0.000 0.256 234 T C 1.851 176.524 174.700 -0.045 0.000 1.061 234 T CA 1.300 63.400 62.100 0.001 0.000 1.163 234 T CB -0.560 68.358 68.868 0.084 0.000 0.865 234 T HN 0.342 nan 8.240 nan 0.000 0.407 235 L N 1.579 122.689 121.223 -0.187 0.000 2.051 235 L HA -0.182 4.158 4.340 -0.000 0.000 0.214 235 L C 2.516 179.326 176.870 -0.101 0.000 1.076 235 L CA 1.936 56.663 54.840 -0.187 0.000 0.758 235 L CB -1.040 40.744 42.059 -0.459 0.000 0.890 235 L HN 0.155 nan 8.230 nan 0.000 0.433 236 Q N 0.051 119.780 119.800 -0.118 0.000 2.045 236 Q HA -0.341 3.999 4.340 -0.000 0.000 0.215 236 Q C 2.275 178.268 176.000 -0.011 0.000 1.026 236 Q CA 2.584 58.352 55.803 -0.059 0.000 0.885 236 Q CB -0.658 28.047 28.738 -0.054 0.000 0.984 236 Q HN 0.669 nan 8.270 nan 0.000 0.414 237 Q N -0.813 118.992 119.800 0.010 0.000 2.482 237 Q HA 0.238 4.578 4.340 -0.000 0.000 0.209 237 Q C -0.315 175.732 176.000 0.079 0.000 0.961 237 Q CA -0.033 55.795 55.803 0.042 0.000 0.945 237 Q CB 0.163 28.930 28.738 0.047 0.000 1.012 237 Q HN 0.307 nan 8.270 nan 0.000 0.515 238 L N 0.683 121.955 121.223 0.081 0.000 2.399 238 L HA 0.254 4.594 4.340 -0.000 0.000 0.265 238 L C 0.316 177.253 176.870 0.112 0.000 1.089 238 L CA -0.568 54.355 54.840 0.137 0.000 0.802 238 L CB 1.059 43.210 42.059 0.152 0.000 1.180 238 L HN 0.110 nan 8.230 nan 0.000 0.454 239 E N 0.844 121.133 120.200 0.148 0.000 2.264 239 E HA 0.549 4.899 4.350 -0.000 0.000 0.260 239 E C -0.641 175.971 176.600 0.020 0.000 0.961 239 E CA -0.822 55.621 56.400 0.071 0.000 0.834 239 E CB 1.698 31.431 29.700 0.054 0.000 1.230 239 E HN 0.580 nan 8.360 nan 0.000 0.412 240 A N 1.686 124.466 122.820 -0.066 0.000 2.332 240 A HA 0.336 4.656 4.320 -0.000 0.000 0.258 240 A C -1.417 175.945 177.584 -0.371 0.000 1.087 240 A CA -0.926 51.014 52.037 -0.162 0.000 0.802 240 A CB -0.299 18.634 19.000 -0.112 0.000 1.042 240 A HN 0.410 nan 8.150 nan 0.000 0.489 241 P HA -0.100 nan 4.420 nan 0.000 0.234 241 P C 0.372 177.488 177.300 -0.308 0.000 1.167 241 P CA 1.174 64.020 63.100 -0.424 0.000 0.763 241 P CB -0.065 31.363 31.700 -0.454 0.000 0.835 242 Y N 2.153 122.398 120.300 -0.092 0.000 2.130 242 Y HA -0.108 4.441 4.550 -0.000 0.000 0.287 242 Y C 2.176 178.085 175.900 0.016 0.000 1.124 242 Y CA 1.361 59.427 58.100 -0.056 0.000 1.118 242 Y CB -1.958 36.425 38.460 -0.128 0.000 0.994 242 Y HN 0.088 nan 8.280 nan 0.000 0.497 243 N N 0.967 119.764 118.700 0.162 0.000 2.617 243 N HA -0.091 4.649 4.740 -0.000 0.000 0.198 243 N C 1.177 176.727 175.510 0.067 0.000 1.317 243 N CA 0.790 53.905 53.050 0.109 0.000 0.892 243 N CB -0.652 37.878 38.487 0.073 0.000 1.041 243 N HN 0.421 nan 8.380 nan 0.000 0.450 244 S N -0.232 115.499 115.700 0.052 0.000 2.343 244 S HA -0.160 4.310 4.470 -0.000 0.000 0.212 244 S C 0.614 175.254 174.600 0.067 0.000 1.033 244 S CA 0.531 58.753 58.200 0.036 0.000 1.004 244 S CB -0.846 62.357 63.200 0.005 0.000 0.977 244 S HN 0.289 nan 8.310 nan 0.000 0.427 245 D N 1.579 122.033 120.400 0.090 0.000 2.401 245 D HA 0.225 4.864 4.640 -0.000 0.000 0.254 245 D C 1.136 177.533 176.300 0.161 0.000 1.192 245 D CA 0.745 54.813 54.000 0.113 0.000 0.885 245 D CB 1.448 42.319 40.800 0.119 0.000 1.147 245 D HN 0.561 nan 8.370 nan 0.000 0.478 246 T N -0.372 114.283 114.554 0.168 0.000 3.014 246 T HA -0.022 4.327 4.350 -0.000 0.000 0.250 246 T C 1.901 176.778 174.700 0.296 0.000 1.060 246 T CA 0.584 62.841 62.100 0.263 0.000 1.040 246 T CB -0.356 68.662 68.868 0.251 0.000 0.971 246 T HN 0.214 nan 8.240 nan 0.000 0.497 247 V N 0.246 120.273 119.914 0.187 0.000 2.490 247 V HA -0.019 4.101 4.120 -0.000 0.000 0.250 247 V C 2.429 178.647 176.094 0.208 0.000 1.061 247 V CA 0.984 63.381 62.300 0.161 0.000 1.064 247 V CB -1.410 30.474 31.823 0.101 0.000 0.670 247 V HN 0.309 nan 8.190 nan 0.000 0.461 248 L N 0.250 121.606 121.223 0.222 0.000 1.976 248 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 248 L C 2.614 179.677 176.870 0.321 0.000 1.071 248 L CA 2.139 57.137 54.840 0.264 0.000 0.746 248 L CB -0.664 41.541 42.059 0.243 0.000 0.890 248 L HN 0.182 nan 8.230 nan 0.000 0.432 249 V N -0.744 119.385 119.914 0.359 0.000 2.278 249 V HA -0.414 3.706 4.120 -0.000 0.000 0.251 249 V C 2.491 178.879 176.094 0.490 0.000 1.062 249 V CA 2.307 64.885 62.300 0.463 0.000 1.038 249 V CB -0.946 31.196 31.823 0.531 0.000 0.646 249 V HN 0.618 nan 8.190 nan 0.000 0.447 250 H N 0.290 119.455 119.070 0.158 0.000 2.293 250 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 250 H C 2.493 177.783 175.328 -0.063 0.000 1.082 250 H CA 2.167 57.931 56.048 -0.473 0.000 1.308 250 H CB -0.151 29.150 29.762 -0.769 0.000 1.375 250 H HN 0.261 nan 8.280 nan 0.000 0.495 251 R N -0.556 120.025 120.500 0.136 0.000 2.113 251 R HA -0.166 4.174 4.340 -0.000 0.000 0.244 251 R C 2.388 178.897 176.300 0.348 0.000 1.142 251 R CA 1.796 58.021 56.100 0.209 0.000 0.953 251 R CB -0.592 29.884 30.300 0.292 0.000 0.860 251 R HN 0.205 nan 8.270 nan 0.000 0.438 252 V N 0.194 120.351 119.914 0.405 0.000 2.229 252 V HA -0.274 3.846 4.120 -0.000 0.000 0.243 252 V C 2.427 178.679 176.094 0.263 0.000 1.042 252 V CA 2.022 64.548 62.300 0.377 0.000 1.000 252 V CB -0.867 31.124 31.823 0.281 0.000 0.637 252 V HN 0.485 nan 8.190 nan 0.000 0.446 253 H N 0.138 119.285 119.070 0.129 0.000 2.466 253 H HA -0.159 4.397 4.556 -0.000 0.000 0.297 253 H C 2.240 177.518 175.328 -0.083 0.000 1.113 253 H CA 2.114 58.199 56.048 0.061 0.000 1.273 253 H CB 0.077 29.936 29.762 0.160 0.000 1.371 253 H HN 0.425 nan 8.280 nan 0.000 0.528 254 S N -0.414 115.236 115.700 -0.082 0.000 2.406 254 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 254 S C 1.898 176.222 174.600 -0.461 0.000 1.030 254 S CA 0.615 58.649 58.200 -0.276 0.000 0.958 254 S CB -0.471 62.526 63.200 -0.338 0.000 0.811 254 S HN 0.684 nan 8.310 nan 0.000 0.489 255 Y N 2.504 122.462 120.300 -0.570 0.000 2.181 255 Y HA -0.089 4.461 4.550 -0.000 0.000 0.288 255 Y C 1.739 177.444 175.900 -0.325 0.000 1.146 255 Y CA 1.334 59.026 58.100 -0.680 0.000 1.164 255 Y CB -0.396 37.973 38.460 -0.152 0.000 0.982 255 Y HN 0.114 nan 8.280 nan 0.000 0.515 256 L N 0.454 121.630 121.223 -0.079 0.000 2.141 256 L HA -0.164 4.175 4.340 -0.000 0.000 0.209 256 L C 2.549 179.200 176.870 -0.366 0.000 1.094 256 L CA 1.796 56.511 54.840 -0.209 0.000 0.763 256 L CB -0.532 41.475 42.059 -0.087 0.000 0.908 256 L HN 0.359 nan 8.230 nan 0.000 0.437 257 E N 0.294 120.215 120.200 -0.465 0.000 2.076 257 E HA -0.238 4.112 4.350 -0.000 0.000 0.190 257 E C 2.290 178.703 176.600 -0.312 0.000 0.979 257 E CA 0.578 56.714 56.400 -0.440 0.000 0.807 257 E CB 0.162 29.559 29.700 -0.505 0.000 0.761 257 E HN 0.141 nan 8.360 nan 0.000 0.454 258 R N 0.443 120.646 120.500 -0.495 0.000 2.070 258 R HA -0.125 4.215 4.340 -0.000 0.000 0.233 258 R C 1.247 177.374 176.300 -0.288 0.000 1.137 258 R CA 2.215 57.997 56.100 -0.530 0.000 0.945 258 R CB -0.858 28.941 30.300 -0.834 0.000 0.845 258 R HN 0.355 nan 8.270 nan 0.000 0.430 259 H N -1.045 117.857 119.070 -0.281 0.000 2.547 259 H HA 0.284 4.840 4.556 -0.000 0.000 0.274 259 H C 0.540 175.750 175.328 -0.198 0.000 1.024 259 H CA 0.397 56.294 56.048 -0.251 0.000 1.155 259 H CB 0.167 29.659 29.762 -0.451 0.000 1.344 259 H HN 0.559 nan 8.280 nan 0.000 0.598 260 G N 0.964 109.733 108.800 -0.051 0.000 2.246 260 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.273 260 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.273 260 G C 0.699 175.571 174.900 -0.046 0.000 1.055 260 G CA 0.419 45.504 45.100 -0.025 0.000 0.851 260 G HN 0.464 nan 8.290 nan 0.000 0.500 261 L N -0.827 120.370 121.223 -0.043 0.000 2.416 261 L HA 0.409 4.749 4.340 -0.000 0.000 0.216 261 L C 1.546 178.460 176.870 0.073 0.000 1.098 261 L CA 0.873 55.744 54.840 0.051 0.000 0.840 261 L CB -0.016 42.034 42.059 -0.016 0.000 0.981 261 L HN 0.614 nan 8.230 nan 0.000 0.462 262 I N -4.836 115.527 120.570 -0.345 0.000 2.865 262 I HA 0.398 4.568 4.170 -0.000 0.000 0.302 262 I C -0.869 174.450 176.117 -1.330 0.000 1.140 262 I CA -0.917 59.619 61.300 -1.273 0.000 1.021 262 I CB 1.930 39.456 38.000 -0.790 0.000 1.233 262 I HN 0.003 nan 8.210 nan 0.000 0.427 263 N N 3.156 120.399 118.700 -2.427 0.000 2.696 263 N HA -0.220 4.520 4.740 -0.000 0.000 0.256 263 N C -1.058 174.000 175.510 -0.752 0.000 1.031 263 N CA 1.264 53.234 53.050 -1.800 0.000 0.730 263 N CB -1.320 36.398 38.487 -1.282 0.000 0.894 263 N HN 0.713 nan 8.380 nan 0.000 0.544 264 F N -2.545 117.218 119.950 -0.311 0.000 2.598 264 F HA 0.859 5.386 4.527 -0.000 0.000 0.327 264 F C 1.122 177.177 175.800 0.426 0.000 1.057 264 F CA 0.070 58.182 58.000 0.186 0.000 0.957 264 F CB 0.969 39.993 39.000 0.039 0.000 1.278 264 F HN 0.239 nan 8.300 nan 0.000 0.484 265 G N 1.221 110.323 108.800 0.502 0.000 2.509 265 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.256 265 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.256 265 G C -1.051 173.898 174.900 0.082 0.000 1.152 265 G CA -0.164 45.116 45.100 0.300 0.000 0.951 265 G HN 0.962 nan 8.290 nan 0.000 0.559 266 I N 2.273 122.888 120.570 0.074 0.000 2.502 266 I HA 0.482 4.652 4.170 -0.000 0.000 0.276 266 I C -0.130 176.008 176.117 0.036 0.000 1.057 266 I CA -0.715 60.545 61.300 -0.067 0.000 1.163 266 I CB 0.613 38.596 38.000 -0.027 0.000 1.288 266 I HN 0.554 nan 8.210 nan 0.000 0.479 267 Y N 3.017 123.366 120.300 0.082 0.000 2.602 267 Y HA 0.674 5.224 4.550 -0.000 0.000 0.330 267 Y C -0.234 175.706 175.900 0.066 0.000 1.114 267 Y CA -1.662 56.499 58.100 0.101 0.000 1.182 267 Y CB 0.638 39.198 38.460 0.167 0.000 1.305 267 Y HN 0.136 nan 8.280 nan 0.000 0.502 268 K N 1.457 122.003 120.400 0.242 0.000 2.234 268 K HA 0.310 4.630 4.320 -0.000 0.000 0.277 268 K C -0.521 176.206 176.600 0.212 0.000 1.038 268 K CA -0.738 55.641 56.287 0.153 0.000 0.888 268 K CB 1.005 33.565 32.500 0.100 0.000 1.091 268 K HN 0.643 nan 8.250 nan 0.000 0.467 269 R N 3.943 124.551 120.500 0.179 0.000 2.449 269 R HA 0.059 4.399 4.340 -0.000 0.000 0.296 269 R C 0.851 177.228 176.300 0.128 0.000 1.047 269 R CA 0.136 56.351 56.100 0.191 0.000 1.018 269 R CB 0.340 30.726 30.300 0.143 0.000 0.962 269 R HN 0.709 nan 8.270 nan 0.000 0.428 270 I N 3.707 124.350 120.570 0.122 0.000 2.233 270 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 270 I C 0.374 176.536 176.117 0.074 0.000 1.093 270 I CA 1.269 62.621 61.300 0.087 0.000 1.380 270 I CB 0.035 38.082 38.000 0.078 0.000 1.067 270 I HN 0.517 nan 8.210 nan 0.000 0.413 271 K N 1.949 122.397 120.400 0.081 0.000 2.291 271 K HA 0.349 4.669 4.320 -0.000 0.000 0.242 271 K C -2.471 174.171 176.600 0.069 0.000 1.098 271 K CA -1.747 54.581 56.287 0.069 0.000 1.036 271 K CB 0.005 32.547 32.500 0.070 0.000 1.655 271 K HN -0.074 nan 8.250 nan 0.000 0.432 272 P HA -0.143 nan 4.420 nan 0.000 0.263 272 P C -0.168 177.162 177.300 0.051 0.000 1.168 272 P CA -0.008 63.124 63.100 0.052 0.000 0.759 272 P CB 0.458 32.182 31.700 0.039 0.000 0.782 273 L N 5.481 126.734 121.223 0.051 0.000 2.806 273 L HA -0.087 4.253 4.340 -0.000 0.000 0.282 273 L C -1.287 175.611 176.870 0.046 0.000 1.166 273 L CA -0.809 54.063 54.840 0.054 0.000 0.969 273 L CB -1.078 41.008 42.059 0.045 0.000 1.304 273 L HN 0.393 nan 8.230 nan 0.000 0.474 274 P HA -0.167 nan 4.420 nan 0.000 0.265 274 P C 0.887 178.209 177.300 0.037 0.000 1.151 274 P CA 0.483 63.609 63.100 0.044 0.000 0.755 274 P CB 0.551 32.280 31.700 0.049 0.000 0.756 275 T N 2.092 116.664 114.554 0.031 0.000 2.614 275 T HA -0.108 4.241 4.350 -0.000 0.000 0.263 275 T C 0.663 175.377 174.700 0.023 0.000 1.055 275 T CA 1.247 63.362 62.100 0.025 0.000 1.162 275 T CB -0.069 68.812 68.868 0.022 0.000 0.863 275 T HN 0.308 nan 8.240 nan 0.000 0.414 276 K N 0.448 120.862 120.400 0.023 0.000 2.221 276 K HA 0.534 4.853 4.320 -0.000 0.000 0.243 276 K C -1.071 175.544 176.600 0.025 0.000 0.968 276 K CA -0.810 55.489 56.287 0.021 0.000 0.846 276 K CB 1.428 33.939 32.500 0.019 0.000 1.141 276 K HN 0.149 nan 8.250 nan 0.000 0.434 277 K N 0.400 120.814 120.400 0.023 0.000 2.166 277 K HA 0.434 4.754 4.320 -0.000 0.000 0.245 277 K C -1.024 175.591 176.600 0.026 0.000 0.967 277 K CA -0.777 55.525 56.287 0.026 0.000 0.863 277 K CB 1.925 34.437 32.500 0.019 0.000 1.107 277 K HN 0.405 nan 8.250 nan 0.000 0.436 278 T N 0.684 115.258 114.554 0.032 0.000 2.829 278 T HA 0.635 4.985 4.350 -0.000 0.000 0.280 278 T C -0.153 174.563 174.700 0.028 0.000 0.999 278 T CA -0.417 61.705 62.100 0.037 0.000 0.983 278 T CB 1.488 70.387 68.868 0.051 0.000 0.968 278 T HN 0.872 nan 8.240 nan 0.000 0.446 279 G N 1.905 110.716 108.800 0.018 0.000 2.856 279 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.674 279 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.674 279 G C -0.771 174.089 174.900 -0.066 0.000 1.519 279 G CA -0.228 44.854 45.100 -0.029 0.000 0.940 279 G HN 0.935 nan 8.290 nan 0.000 0.564 280 K N -0.704 119.625 120.400 -0.118 0.000 2.513 280 K HA 0.696 5.016 4.320 -0.000 0.000 0.251 280 K C -0.641 175.868 176.600 -0.151 0.000 0.939 280 K CA -0.600 55.626 56.287 -0.101 0.000 0.793 280 K CB 2.147 34.619 32.500 -0.046 0.000 1.241 280 K HN 1.191 nan 8.250 nan 0.000 0.431 281 V N 4.208 124.041 119.914 -0.136 0.000 2.487 281 V HA 0.542 4.661 4.120 -0.000 0.000 0.298 281 V C -0.363 175.668 176.094 -0.105 0.000 1.028 281 V CA -0.984 61.227 62.300 -0.148 0.000 0.860 281 V CB 1.394 33.113 31.823 -0.174 0.000 0.991 281 V HN 0.682 nan 8.190 nan 0.000 0.427 282 I N 5.087 125.603 120.570 -0.089 0.000 2.365 282 I HA 0.442 4.612 4.170 -0.000 0.000 0.291 282 I C -0.010 176.041 176.117 -0.111 0.000 1.004 282 I CA -0.637 60.599 61.300 -0.106 0.000 1.311 282 I CB 1.475 39.418 38.000 -0.096 0.000 1.401 282 I HN 0.520 nan 8.210 nan 0.000 0.491 283 I N 7.302 127.793 120.570 -0.132 0.000 2.355 283 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 283 I C 0.086 176.126 176.117 -0.127 0.000 0.999 283 I CA -0.594 60.636 61.300 -0.116 0.000 1.163 283 I CB 1.380 39.312 38.000 -0.114 0.000 1.316 283 I HN 0.296 nan 8.210 nan 0.000 0.454 284 I N 6.253 126.766 120.570 -0.095 0.000 2.363 284 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 284 I C 0.783 176.858 176.117 -0.070 0.000 1.075 284 I CA 0.150 61.394 61.300 -0.093 0.000 1.333 284 I CB 0.491 38.461 38.000 -0.050 0.000 1.415 284 I HN 0.834 nan 8.210 nan 0.000 0.502 285 G N 4.214 112.950 108.800 -0.107 0.000 3.019 285 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 285 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 285 G C 0.052 174.905 174.900 -0.078 0.000 1.056 285 G CA -0.223 44.825 45.100 -0.088 0.000 0.774 285 G HN 0.815 nan 8.290 nan 0.000 0.583 286 S N 1.906 117.556 115.700 -0.083 0.000 2.526 286 S HA 0.581 5.051 4.470 -0.000 0.000 0.247 286 S C 1.411 175.985 174.600 -0.044 0.000 1.076 286 S CA 0.621 58.779 58.200 -0.069 0.000 1.105 286 S CB 0.396 63.549 63.200 -0.079 0.000 0.793 286 S HN 2.089 nan 8.310 nan 0.000 0.458 287 G N 0.883 109.667 108.800 -0.027 0.000 2.855 287 G HA2 0.202 4.162 3.960 -0.000 0.000 0.248 287 G HA3 0.202 4.162 3.960 -0.000 0.000 0.248 287 G C 0.977 175.854 174.900 -0.039 0.000 1.243 287 G CA -0.143 44.946 45.100 -0.019 0.000 0.881 287 G HN 0.323 nan 8.290 nan 0.000 0.598 288 V N 1.080 120.962 119.914 -0.053 0.000 2.332 288 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 288 V C 3.264 179.325 176.094 -0.055 0.000 1.055 288 V CA 2.773 65.037 62.300 -0.061 0.000 1.038 288 V CB -0.733 31.037 31.823 -0.089 0.000 0.651 288 V HN 0.966 nan 8.190 nan 0.000 0.450 289 S N 0.872 116.541 115.700 -0.052 0.000 2.359 289 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 289 S C 2.128 176.696 174.600 -0.053 0.000 1.035 289 S CA 1.672 59.840 58.200 -0.054 0.000 1.018 289 S CB -1.213 61.960 63.200 -0.046 0.000 0.876 289 S HN 0.550 nan 8.310 nan 0.000 0.448 290 G N 2.459 111.233 108.800 -0.044 0.000 2.628 290 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 290 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 290 G C 1.466 176.325 174.900 -0.070 0.000 1.240 290 G CA 1.316 46.383 45.100 -0.056 0.000 0.792 290 G HN 0.520 nan 8.290 nan 0.000 0.593 291 L N 1.043 122.228 121.223 -0.063 0.000 1.997 291 L HA -0.171 4.169 4.340 -0.000 0.000 0.216 291 L C 3.455 180.286 176.870 -0.066 0.000 1.074 291 L CA 1.691 56.493 54.840 -0.063 0.000 0.763 291 L CB -0.572 41.458 42.059 -0.048 0.000 0.890 291 L HN 0.324 nan 8.230 nan 0.000 0.434 292 A N -0.376 122.410 122.820 -0.057 0.000 1.902 292 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 292 A C 2.528 180.057 177.584 -0.091 0.000 1.181 292 A CA 1.901 53.906 52.037 -0.052 0.000 0.623 292 A CB -0.888 18.084 19.000 -0.048 0.000 0.818 292 A HN 0.427 nan 8.150 nan 0.000 0.443 293 A N -0.050 122.707 122.820 -0.106 0.000 1.858 293 A HA 0.128 4.447 4.320 -0.000 0.000 0.216 293 A C 2.554 180.035 177.584 -0.172 0.000 1.190 293 A CA 2.373 54.325 52.037 -0.142 0.000 0.617 293 A CB -1.247 17.681 19.000 -0.121 0.000 0.827 293 A HN 1.135 nan 8.150 nan 0.000 0.443 294 A N -0.190 122.548 122.820 -0.138 0.000 1.859 294 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 294 A C 2.236 179.727 177.584 -0.154 0.000 1.209 294 A CA 1.899 53.854 52.037 -0.138 0.000 0.639 294 A CB -0.731 18.203 19.000 -0.110 0.000 0.835 294 A HN 0.515 nan 8.150 nan 0.000 0.450 295 R N -1.353 119.067 120.500 -0.133 0.000 2.159 295 R HA -0.243 4.096 4.340 -0.000 0.000 0.249 295 R C 2.424 178.604 176.300 -0.201 0.000 1.136 295 R CA 2.021 58.038 56.100 -0.138 0.000 0.951 295 R CB -0.546 29.693 30.300 -0.101 0.000 0.876 295 R HN 0.571 nan 8.270 nan 0.000 0.440 296 Q N 0.567 120.202 119.800 -0.276 0.000 2.030 296 Q HA -0.081 4.259 4.340 -0.000 0.000 0.204 296 Q C 2.308 177.765 176.000 -0.905 0.000 0.986 296 Q CA 1.423 56.890 55.803 -0.561 0.000 0.843 296 Q CB -0.569 27.838 28.738 -0.552 0.000 0.904 296 Q HN 0.352 nan 8.270 nan 0.000 0.420 297 L N 0.149 121.015 121.223 -0.595 0.000 1.956 297 L HA -0.284 4.055 4.340 -0.000 0.000 0.216 297 L C 2.648 179.396 176.870 -0.203 0.000 1.073 297 L CA 1.912 56.513 54.840 -0.398 0.000 0.762 297 L CB -0.693 41.231 42.059 -0.226 0.000 0.889 297 L HN 0.374 nan 8.230 nan 0.000 0.433 298 Q N -0.127 119.583 119.800 -0.150 0.000 2.096 298 Q HA -0.309 4.030 4.340 -0.000 0.000 0.208 298 Q C 2.349 178.344 176.000 -0.008 0.000 0.993 298 Q CA 2.628 58.391 55.803 -0.066 0.000 0.862 298 Q CB -0.183 28.512 28.738 -0.072 0.000 0.915 298 Q HN 0.503 nan 8.270 nan 0.000 0.416 299 S N -0.611 115.072 115.700 -0.030 0.000 2.420 299 S HA -0.134 4.336 4.470 -0.000 0.000 0.237 299 S C 1.234 176.034 174.600 0.334 0.000 1.023 299 S CA 0.936 59.209 58.200 0.122 0.000 0.991 299 S CB -0.326 62.964 63.200 0.150 0.000 0.792 299 S HN 0.449 nan 8.310 nan 0.000 0.488 300 F N 1.968 121.926 119.950 0.014 0.000 2.731 300 F HA 0.409 4.936 4.527 -0.000 0.000 0.304 300 F C 1.891 177.695 175.800 0.008 0.000 1.133 300 F CA -0.984 57.019 58.000 0.005 0.000 1.380 300 F CB -1.031 37.962 39.000 -0.013 0.000 1.079 300 F HN 0.359 nan 8.300 nan 0.000 0.550 301 G N 1.325 110.237 108.800 0.187 0.000 2.295 301 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.287 301 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.287 301 G C 0.277 175.224 174.900 0.077 0.000 1.055 301 G CA 0.161 45.323 45.100 0.102 0.000 0.922 301 G HN 0.291 nan 8.290 nan 0.000 0.503 302 M N -0.599 119.037 119.600 0.060 0.000 2.649 302 M HA 0.417 4.897 4.480 -0.000 0.000 0.294 302 M C -0.146 176.148 176.300 -0.010 0.000 1.206 302 M CA -0.818 54.494 55.300 0.020 0.000 0.928 302 M CB 1.050 33.651 32.600 0.003 0.000 1.571 302 M HN 0.126 nan 8.290 nan 0.000 0.501 303 D N 1.343 121.727 120.400 -0.026 0.000 2.373 303 D HA 0.435 5.075 4.640 -0.000 0.000 0.227 303 D C -1.710 174.561 176.300 -0.049 0.000 1.091 303 D CA -0.229 53.754 54.000 -0.029 0.000 0.840 303 D CB 0.981 41.771 40.800 -0.017 0.000 1.060 303 D HN 0.198 nan 8.370 nan 0.000 0.502 304 V N 3.670 123.552 119.914 -0.053 0.000 2.487 304 V HA 0.454 4.574 4.120 -0.000 0.000 0.298 304 V C 0.249 176.302 176.094 -0.069 0.000 1.028 304 V CA -0.592 61.664 62.300 -0.074 0.000 0.860 304 V CB 1.972 33.740 31.823 -0.092 0.000 0.991 304 V HN 0.554 nan 8.190 nan 0.000 0.427 305 T N 6.070 120.575 114.554 -0.083 0.000 2.824 305 T HA 0.703 5.053 4.350 -0.000 0.000 0.282 305 T C -0.615 173.991 174.700 -0.155 0.000 0.993 305 T CA -0.347 61.692 62.100 -0.103 0.000 0.967 305 T CB 1.309 70.132 68.868 -0.074 0.000 0.960 305 T HN 0.302 nan 8.240 nan 0.000 0.441 306 L N 3.565 124.694 121.223 -0.157 0.000 2.309 306 L HA 0.607 4.947 4.340 -0.000 0.000 0.282 306 L C -0.510 176.221 176.870 -0.231 0.000 1.036 306 L CA -0.532 54.204 54.840 -0.174 0.000 0.806 306 L CB 0.977 42.955 42.059 -0.136 0.000 1.220 306 L HN 0.406 nan 8.230 nan 0.000 0.429 307 L N 2.573 123.639 121.223 -0.262 0.000 2.325 307 L HA 0.594 4.934 4.340 -0.000 0.000 0.281 307 L C -0.561 176.152 176.870 -0.261 0.000 1.004 307 L CA -0.574 54.079 54.840 -0.312 0.000 0.823 307 L CB 1.782 43.602 42.059 -0.399 0.000 1.236 307 L HN 0.490 nan 8.230 nan 0.000 0.415 308 E N 1.852 121.893 120.200 -0.264 0.000 2.210 308 E HA 0.549 4.899 4.350 -0.000 0.000 0.266 308 E C 0.172 176.553 176.600 -0.364 0.000 0.883 308 E CA -0.312 55.927 56.400 -0.268 0.000 0.761 308 E CB 2.149 31.730 29.700 -0.199 0.000 1.156 308 E HN 0.573 nan 8.360 nan 0.000 0.412 309 A N 5.319 127.812 122.820 -0.544 0.000 1.897 309 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 309 A C 1.070 178.258 177.584 -0.661 0.000 1.181 309 A CA 0.855 52.373 52.037 -0.864 0.000 0.620 309 A CB -0.188 17.701 19.000 -1.851 0.000 0.821 309 A HN 0.598 nan 8.150 nan 0.000 0.443 310 R N 0.378 120.575 120.500 -0.505 0.000 2.738 310 R HA 0.205 4.545 4.340 -0.000 0.000 0.275 310 R C -0.519 175.705 176.300 -0.127 0.000 1.121 310 R CA 0.320 56.300 56.100 -0.200 0.000 1.207 310 R CB 0.095 30.361 30.300 -0.058 0.000 1.141 310 R HN 0.479 nan 8.270 nan 0.000 0.571 311 D N 0.461 120.834 120.400 -0.046 0.000 2.738 311 D HA 0.096 4.736 4.640 -0.000 0.000 0.246 311 D C -0.323 175.961 176.300 -0.027 0.000 1.270 311 D CA -0.360 53.616 54.000 -0.041 0.000 0.833 311 D CB -0.010 40.781 40.800 -0.016 0.000 1.040 311 D HN 0.453 nan 8.370 nan 0.000 0.487 312 R N -1.685 118.797 120.500 -0.029 0.000 2.690 312 R HA 0.518 4.858 4.340 -0.000 0.000 0.269 312 R C -0.207 176.079 176.300 -0.022 0.000 1.037 312 R CA -1.088 55.002 56.100 -0.017 0.000 0.877 312 R CB 0.689 30.994 30.300 0.009 0.000 1.255 312 R HN -0.127 nan 8.270 nan 0.000 0.467 313 V N -1.028 118.874 119.914 -0.019 0.000 3.751 313 V HA 0.700 4.820 4.120 -0.000 0.000 0.274 313 V C 1.343 177.438 176.094 0.003 0.000 0.960 313 V CA 0.604 62.891 62.300 -0.021 0.000 0.960 313 V CB 0.226 32.033 31.823 -0.027 0.000 1.244 313 V HN 1.224 nan 8.190 nan 0.000 0.417 314 G N -1.349 107.447 108.800 -0.006 0.000 2.458 314 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.237 314 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.237 314 G C 1.903 176.814 174.900 0.017 0.000 1.113 314 G CA 1.241 46.339 45.100 -0.003 0.000 0.655 314 G HN 2.726 nan 8.290 nan 0.000 0.513 315 G N 0.288 109.124 108.800 0.060 0.000 2.634 315 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.318 315 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.318 315 G C 0.940 175.939 174.900 0.165 0.000 1.207 315 G CA 1.523 46.693 45.100 0.117 0.000 0.987 315 G HN 1.263 nan 8.290 nan 0.000 0.547 316 R N -0.064 120.480 120.500 0.073 0.000 2.339 316 R HA 0.212 4.552 4.340 -0.000 0.000 0.199 316 R C 0.661 176.924 176.300 -0.062 0.000 1.018 316 R CA 0.518 56.578 56.100 -0.067 0.000 1.036 316 R CB -0.037 30.141 30.300 -0.205 0.000 0.899 316 R HN 0.213 nan 8.270 nan 0.000 0.473 317 V N 1.882 121.776 119.914 -0.033 0.000 2.221 317 V HA 0.269 4.389 4.120 -0.000 0.000 0.258 317 V C 0.053 176.194 176.094 0.078 0.000 1.179 317 V CA -0.495 61.771 62.300 -0.056 0.000 1.022 317 V CB 0.578 32.282 31.823 -0.199 0.000 1.228 317 V HN 0.135 nan 8.190 nan 0.000 0.487 318 A N 3.292 126.224 122.820 0.187 0.000 2.292 318 A HA 0.802 5.122 4.320 -0.000 0.000 0.319 318 A C 0.195 177.897 177.584 0.197 0.000 1.206 318 A CA -0.331 51.840 52.037 0.223 0.000 0.835 318 A CB 0.907 20.115 19.000 0.347 0.000 1.164 318 A HN 0.528 nan 8.150 nan 0.000 0.505 319 T N 2.469 117.114 114.554 0.152 0.000 2.840 319 T HA 0.384 4.734 4.350 -0.000 0.000 0.287 319 T C -0.711 174.061 174.700 0.120 0.000 0.991 319 T CA -0.121 62.062 62.100 0.139 0.000 0.964 319 T CB 0.371 69.304 68.868 0.108 0.000 0.954 319 T HN 0.479 nan 8.240 nan 0.000 0.438 320 F N 4.350 124.297 119.950 -0.004 0.000 2.504 320 F HA 0.472 4.999 4.527 -0.000 0.000 0.369 320 F C 0.481 176.261 175.800 -0.033 0.000 1.082 320 F CA -0.112 57.875 58.000 -0.022 0.000 1.216 320 F CB 0.320 39.297 39.000 -0.038 0.000 1.108 320 F HN 0.399 nan 8.300 nan 0.000 0.554 321 R N 5.482 125.545 120.500 -0.727 0.000 2.575 321 R HA 0.536 4.876 4.340 -0.000 0.000 0.293 321 R C -1.406 174.438 176.300 -0.760 0.000 0.983 321 R CA -1.162 54.610 56.100 -0.547 0.000 0.887 321 R CB 2.105 32.246 30.300 -0.265 0.000 1.184 321 R HN 0.649 nan 8.270 nan 0.000 0.445 322 K N 1.462 121.572 120.400 -0.483 0.000 2.579 322 K HA 0.269 4.589 4.320 -0.000 0.000 0.257 322 K C 0.149 176.643 176.600 -0.177 0.000 0.950 322 K CA 0.262 56.370 56.287 -0.299 0.000 0.862 322 K CB 1.456 33.808 32.500 -0.247 0.000 1.317 322 K HN 0.653 nan 8.250 nan 0.000 0.436 323 G N 3.666 112.360 108.800 -0.177 0.000 2.692 323 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.339 323 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.339 323 G C 0.400 175.177 174.900 -0.205 0.000 1.226 323 G CA 0.822 45.794 45.100 -0.213 0.000 0.979 323 G HN 0.719 nan 8.290 nan 0.000 0.549 324 N N 0.059 118.575 118.700 -0.307 0.000 2.220 324 N HA 0.143 4.883 4.740 -0.000 0.000 0.195 324 N C -0.168 175.332 175.510 -0.016 0.000 1.123 324 N CA 0.186 53.143 53.050 -0.155 0.000 0.874 324 N CB 0.480 38.891 38.487 -0.128 0.000 0.995 324 N HN 0.412 nan 8.380 nan 0.000 0.498 325 Y N 1.028 121.351 120.300 0.038 0.000 2.377 325 Y HA 0.262 4.812 4.550 -0.000 0.000 0.330 325 Y C 0.567 176.471 175.900 0.007 0.000 1.108 325 Y CA -0.717 57.425 58.100 0.070 0.000 1.308 325 Y CB 0.704 39.276 38.460 0.187 0.000 1.216 325 Y HN -0.334 nan 8.280 nan 0.000 0.518 326 V N 2.826 122.787 119.914 0.078 0.000 2.532 326 V HA 0.781 4.901 4.120 -0.000 0.000 0.294 326 V C -0.641 175.128 176.094 -0.543 0.000 1.036 326 V CA -0.919 61.309 62.300 -0.120 0.000 0.876 326 V CB 1.381 33.141 31.823 -0.105 0.000 1.012 326 V HN 0.887 nan 8.190 nan 0.000 0.432 327 A N 3.476 126.125 122.820 -0.285 0.000 2.486 327 A HA 0.739 5.059 4.320 -0.000 0.000 0.300 327 A C -0.913 176.660 177.584 -0.019 0.000 1.048 327 A CA -0.702 51.056 52.037 -0.464 0.000 0.696 327 A CB 1.267 20.118 19.000 -0.249 0.000 1.278 327 A HN 0.684 nan 8.150 nan 0.000 0.405 328 D N 1.879 122.354 120.400 0.125 0.000 2.350 328 D HA 0.271 4.911 4.640 -0.000 0.000 0.249 328 D C 0.525 176.923 176.300 0.165 0.000 1.119 328 D CA 0.062 54.171 54.000 0.182 0.000 0.886 328 D CB 1.591 42.528 40.800 0.230 0.000 1.195 328 D HN 0.453 nan 8.370 nan 0.000 0.437 329 L N 1.577 122.925 121.223 0.209 0.000 2.585 329 L HA 0.189 4.529 4.340 -0.000 0.000 0.226 329 L C 1.483 178.610 176.870 0.427 0.000 1.113 329 L CA 0.035 55.029 54.840 0.257 0.000 0.876 329 L CB 0.358 42.550 42.059 0.221 0.000 1.072 329 L HN 0.385 nan 8.230 nan 0.000 0.468 330 G N -0.621 108.371 108.800 0.320 0.000 3.194 330 G HA2 0.611 4.570 3.960 -0.000 0.000 0.160 330 G HA3 0.611 4.570 3.960 -0.000 0.000 0.160 330 G C -0.279 174.663 174.900 0.070 0.000 1.267 330 G CA 0.072 45.274 45.100 0.171 0.000 0.962 330 G HN 0.115 nan 8.290 nan 0.000 0.612 331 A N -0.468 122.353 122.820 0.001 0.000 2.547 331 A HA 0.455 4.774 4.320 -0.000 0.000 0.233 331 A C 0.799 178.544 177.584 0.267 0.000 1.067 331 A CA 1.399 53.473 52.037 0.062 0.000 0.763 331 A CB 0.167 19.125 19.000 -0.069 0.000 1.007 331 A HN 1.313 nan 8.150 nan 0.000 0.506 332 M N 0.490 120.249 119.600 0.264 0.000 1.837 332 M HA 0.208 4.687 4.480 -0.000 0.000 0.365 332 M C -1.269 175.046 176.300 0.025 0.000 0.826 332 M CA 0.300 55.689 55.300 0.149 0.000 1.170 332 M CB 0.363 32.952 32.600 -0.019 0.000 2.310 332 M HN 0.334 nan 8.290 nan 0.000 0.814 333 V N 2.501 122.456 119.914 0.069 0.000 2.547 333 V HA 0.510 4.630 4.120 -0.000 0.000 0.299 333 V C -0.269 175.873 176.094 0.080 0.000 1.040 333 V CA -0.713 61.623 62.300 0.061 0.000 0.913 333 V CB 1.765 33.663 31.823 0.126 0.000 0.992 333 V HN 0.112 nan 8.190 nan 0.000 0.449 334 V N 3.533 123.463 119.914 0.026 0.000 2.328 334 V HA 0.210 4.329 4.120 -0.000 0.000 0.278 334 V C 0.948 177.024 176.094 -0.031 0.000 1.021 334 V CA -0.260 62.067 62.300 0.044 0.000 0.838 334 V CB 1.553 33.371 31.823 -0.008 0.000 0.999 334 V HN 1.058 nan 8.190 nan 0.000 0.447 335 T N 1.085 115.595 114.554 -0.074 0.000 3.792 335 T HA 0.467 4.817 4.350 -0.000 0.000 0.233 335 T C 0.690 175.274 174.700 -0.192 0.000 0.860 335 T CA 0.302 62.115 62.100 -0.477 0.000 0.915 335 T CB -0.658 68.002 68.868 -0.347 0.000 1.216 335 T HN 1.588 nan 8.240 nan 0.000 0.664 336 G N 0.575 109.360 108.800 -0.025 0.000 2.911 336 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.686 336 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.686 336 G C 0.022 174.943 174.900 0.035 0.000 1.136 336 G CA -0.619 44.550 45.100 0.114 0.000 0.764 336 G HN 0.371 nan 8.290 nan 0.000 0.626 337 L N 1.194 122.414 121.223 -0.004 0.000 2.492 337 L HA 0.189 4.529 4.340 -0.000 0.000 0.223 337 L C 2.195 178.953 176.870 -0.186 0.000 1.132 337 L CA 0.900 55.673 54.840 -0.111 0.000 0.850 337 L CB -0.120 41.908 42.059 -0.052 0.000 0.966 337 L HN 0.800 nan 8.230 nan 0.000 0.454 338 G N 0.301 109.058 108.800 -0.071 0.000 2.778 338 G HA2 0.342 4.301 3.960 -0.000 0.000 0.287 338 G HA3 0.342 4.301 3.960 -0.000 0.000 0.287 338 G C 1.036 175.765 174.900 -0.285 0.000 0.747 338 G CA 0.474 45.589 45.100 0.024 0.000 1.961 338 G HN 0.437 nan 8.290 nan 0.000 0.539 339 G N 1.239 109.747 108.800 -0.488 0.000 2.130 339 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 339 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 339 G C 0.186 174.515 174.900 -0.952 0.000 0.999 339 G CA -0.048 44.658 45.100 -0.657 0.000 0.686 339 G HN 0.887 nan 8.290 nan 0.000 0.515 340 N N 0.714 118.733 118.700 -1.134 0.000 2.419 340 N HA 0.437 5.177 4.740 -0.000 0.000 0.277 340 N C -0.458 174.764 175.510 -0.481 0.000 1.006 340 N CA -1.962 50.286 53.050 -1.337 0.000 0.923 340 N CB 2.162 39.899 38.487 -1.249 0.000 1.140 340 N HN 0.028 nan 8.380 nan 0.000 0.488 341 P HA -0.155 nan 4.420 nan 0.000 0.216 341 P C 1.476 178.816 177.300 0.068 0.000 1.150 341 P CA 1.179 64.255 63.100 -0.041 0.000 0.837 341 P CB 0.229 31.857 31.700 -0.120 0.000 0.786 342 M N -0.421 119.199 119.600 0.032 0.000 2.267 342 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 342 M C 2.233 178.556 176.300 0.040 0.000 1.063 342 M CA 1.451 56.805 55.300 0.091 0.000 1.090 342 M CB -1.951 30.727 32.600 0.129 0.000 1.392 342 M HN -0.064 nan 8.290 nan 0.000 0.422 343 A N 0.079 122.876 122.820 -0.040 0.000 1.908 343 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 343 A C 2.510 180.072 177.584 -0.037 0.000 1.181 343 A CA 1.893 53.895 52.037 -0.059 0.000 0.627 343 A CB -0.921 18.008 19.000 -0.119 0.000 0.818 343 A HN 0.304 nan 8.150 nan 0.000 0.445 344 V N -0.443 119.472 119.914 0.002 0.000 2.244 344 V HA -0.230 3.890 4.120 -0.000 0.000 0.244 344 V C 2.571 178.663 176.094 -0.004 0.000 1.042 344 V CA 1.974 64.253 62.300 -0.036 0.000 1.006 344 V CB -0.823 31.028 31.823 0.047 0.000 0.641 344 V HN 0.370 nan 8.190 nan 0.000 0.446 345 V N 1.293 121.273 119.914 0.111 0.000 2.453 345 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 345 V C 2.646 178.774 176.094 0.057 0.000 1.068 345 V CA 2.393 64.762 62.300 0.116 0.000 1.070 345 V CB -1.009 30.919 31.823 0.174 0.000 0.664 345 V HN 0.783 nan 8.190 nan 0.000 0.461 346 S N -0.391 115.328 115.700 0.032 0.000 2.428 346 S HA -0.150 4.320 4.470 -0.000 0.000 0.230 346 S C 1.870 176.463 174.600 -0.012 0.000 1.014 346 S CA 0.992 59.198 58.200 0.011 0.000 0.957 346 S CB -0.325 62.872 63.200 -0.004 0.000 0.784 346 S HN 0.628 nan 8.310 nan 0.000 0.499 347 K N 0.939 121.316 120.400 -0.038 0.000 2.217 347 K HA 0.072 4.392 4.320 -0.000 0.000 0.202 347 K C 2.429 179.000 176.600 -0.048 0.000 1.051 347 K CA 1.041 57.293 56.287 -0.060 0.000 0.952 347 K CB -0.112 32.322 32.500 -0.110 0.000 0.736 347 K HN 0.489 nan 8.250 nan 0.000 0.453 348 Q N 0.017 119.797 119.800 -0.033 0.000 2.269 348 Q HA 0.021 4.361 4.340 -0.000 0.000 0.201 348 Q C -0.100 175.904 176.000 0.007 0.000 0.946 348 Q CA 0.485 56.281 55.803 -0.012 0.000 0.877 348 Q CB 0.690 29.436 28.738 0.015 0.000 0.963 348 Q HN -0.003 nan 8.270 nan 0.000 0.472 349 V N 1.266 121.190 119.914 0.016 0.000 2.735 349 V HA 0.158 4.278 4.120 -0.000 0.000 0.310 349 V C -0.609 175.496 176.094 0.019 0.000 1.061 349 V CA -1.172 61.142 62.300 0.024 0.000 0.913 349 V CB 1.785 33.634 31.823 0.043 0.000 1.005 349 V HN 0.106 nan 8.190 nan 0.000 0.428 350 N N 4.314 123.024 118.700 0.018 0.000 2.406 350 N HA 0.290 5.029 4.740 -0.000 0.000 0.269 350 N C -0.620 174.904 175.510 0.024 0.000 1.210 350 N CA 0.214 53.274 53.050 0.016 0.000 0.966 350 N CB -0.055 38.441 38.487 0.015 0.000 1.293 350 N HN 0.622 nan 8.380 nan 0.000 0.491 351 M N 1.478 121.089 119.600 0.019 0.000 2.311 351 M HA 0.337 4.816 4.480 -0.000 0.000 0.325 351 M C -0.334 175.971 176.300 0.009 0.000 1.061 351 M CA -0.666 54.643 55.300 0.015 0.000 0.957 351 M CB 2.074 34.673 32.600 -0.003 0.000 1.646 351 M HN 0.242 nan 8.290 nan 0.000 0.434 352 E N 3.907 124.119 120.200 0.019 0.000 2.129 352 E HA 0.318 4.668 4.350 -0.000 0.000 0.283 352 E C -1.095 175.511 176.600 0.011 0.000 1.080 352 E CA -0.113 56.301 56.400 0.022 0.000 0.867 352 E CB 0.610 30.335 29.700 0.041 0.000 1.056 352 E HN 0.561 nan 8.360 nan 0.000 0.404 353 L N 3.077 124.300 121.223 0.001 0.000 2.257 353 L HA 0.455 4.795 4.340 -0.000 0.000 0.290 353 L C 0.166 177.044 176.870 0.013 0.000 1.044 353 L CA -0.702 54.134 54.840 -0.007 0.000 0.810 353 L CB 0.980 43.030 42.059 -0.016 0.000 1.193 353 L HN 0.528 nan 8.230 nan 0.000 0.425 354 A N 5.021 127.851 122.820 0.017 0.000 2.303 354 A HA 0.596 4.916 4.320 -0.000 0.000 0.317 354 A C -0.125 177.487 177.584 0.047 0.000 1.149 354 A CA -0.733 51.323 52.037 0.032 0.000 0.822 354 A CB 0.815 19.834 19.000 0.030 0.000 1.131 354 A HN 0.712 nan 8.150 nan 0.000 0.493 355 K N 0.792 121.228 120.400 0.059 0.000 2.117 355 K HA 0.534 4.854 4.320 -0.000 0.000 0.240 355 K C -1.017 175.640 176.600 0.095 0.000 1.031 355 K CA -0.264 56.072 56.287 0.082 0.000 0.909 355 K CB 0.876 33.422 32.500 0.075 0.000 1.097 355 K HN 0.547 nan 8.250 nan 0.000 0.492 356 I N 2.043 122.685 120.570 0.120 0.000 2.405 356 I HA 0.099 4.269 4.170 -0.000 0.000 0.280 356 I C -0.439 175.732 176.117 0.091 0.000 1.027 356 I CA -0.644 60.731 61.300 0.125 0.000 1.161 356 I CB 1.114 39.231 38.000 0.194 0.000 1.300 356 I HN 0.352 nan 8.210 nan 0.000 0.463 357 K N 6.248 126.691 120.400 0.072 0.000 2.395 357 K HA 0.008 4.327 4.320 -0.000 0.000 0.283 357 K C 0.849 177.476 176.600 0.044 0.000 1.068 357 K CA -0.180 56.140 56.287 0.056 0.000 1.039 357 K CB 0.476 33.010 32.500 0.056 0.000 0.924 357 K HN 0.500 nan 8.250 nan 0.000 0.468 358 Q N 1.765 121.590 119.800 0.041 0.000 2.561 358 Q HA -0.095 4.245 4.340 -0.000 0.000 0.217 358 Q C 0.011 176.029 176.000 0.030 0.000 0.980 358 Q CA 0.851 56.674 55.803 0.033 0.000 0.927 358 Q CB 0.096 28.852 28.738 0.031 0.000 0.980 358 Q HN 0.379 nan 8.270 nan 0.000 0.525 359 K N 0.777 121.195 120.400 0.030 0.000 2.378 359 K HA 0.057 4.377 4.320 -0.000 0.000 0.288 359 K C -0.825 175.790 176.600 0.026 0.000 1.057 359 K CA 0.017 56.321 56.287 0.028 0.000 0.971 359 K CB 0.402 32.922 32.500 0.034 0.000 0.975 359 K HN 0.053 nan 8.250 nan 0.000 0.475 360 C N 8.122 127.430 119.300 0.014 0.000 2.547 360 C HA 0.421 4.880 4.460 -0.000 0.000 0.327 360 C C -2.502 172.467 174.990 -0.034 0.000 1.076 360 C CA -1.966 57.057 59.018 0.009 0.000 1.390 360 C CB 0.328 28.067 27.740 -0.001 0.000 1.918 360 C HN 0.646 nan 8.230 nan 0.000 0.438 361 P HA 0.310 nan 4.420 nan 0.000 0.276 361 P C -0.752 176.513 177.300 -0.058 0.000 1.230 361 P CA 0.182 63.250 63.100 -0.054 0.000 0.776 361 P CB 0.906 32.630 31.700 0.040 0.000 0.888 362 L N 3.026 124.056 121.223 -0.322 0.000 2.358 362 L HA 0.474 4.814 4.340 -0.000 0.000 0.268 362 L C -0.381 176.255 176.870 -0.389 0.000 1.032 362 L CA -0.875 53.759 54.840 -0.344 0.000 0.805 362 L CB 0.690 42.385 42.059 -0.606 0.000 1.253 362 L HN 0.337 nan 8.230 nan 0.000 0.452 363 Y N -0.246 119.916 120.300 -0.229 0.000 2.301 363 Y HA 0.237 4.787 4.550 -0.000 0.000 0.325 363 Y C -0.005 175.790 175.900 -0.176 0.000 1.103 363 Y CA -0.814 57.180 58.100 -0.177 0.000 1.182 363 Y CB 1.203 39.578 38.460 -0.142 0.000 1.139 363 Y HN 0.542 nan 8.280 nan 0.000 0.443 364 E N 1.105 121.258 120.200 -0.078 0.000 2.468 364 E HA 0.089 4.439 4.350 -0.000 0.000 0.263 364 E C 1.069 177.632 176.600 -0.061 0.000 1.192 364 E CA 0.597 56.942 56.400 -0.092 0.000 1.016 364 E CB 0.676 30.329 29.700 -0.078 0.000 0.980 364 E HN 0.808 nan 8.360 nan 0.000 0.467 365 A N 2.426 125.206 122.820 -0.068 0.000 1.903 365 A HA -0.350 3.970 4.320 -0.000 0.000 0.219 365 A C 1.787 179.411 177.584 0.066 0.000 1.191 365 A CA 2.546 54.591 52.037 0.013 0.000 0.638 365 A CB -1.165 17.859 19.000 0.040 0.000 0.823 365 A HN 0.816 nan 8.150 nan 0.000 0.451 366 N N -0.748 117.971 118.700 0.031 0.000 2.132 366 N HA 0.080 4.820 4.740 -0.000 0.000 0.191 366 N C 1.159 176.689 175.510 0.034 0.000 1.015 366 N CA 2.517 55.583 53.050 0.027 0.000 0.864 366 N CB -0.901 37.588 38.487 0.003 0.000 1.006 366 N HN 1.329 nan 8.380 nan 0.000 0.430 367 G N -2.485 106.341 108.800 0.043 0.000 2.145 367 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.145 367 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.145 367 G C -0.882 174.050 174.900 0.054 0.000 1.017 367 G CA -0.196 44.935 45.100 0.052 0.000 0.682 367 G HN 0.396 nan 8.290 nan 0.000 0.504 368 Q N 0.244 120.054 119.800 0.017 0.000 2.322 368 Q HA 0.683 5.023 4.340 -0.000 0.000 0.265 368 Q C 0.668 176.562 176.000 -0.176 0.000 0.985 368 Q CA 0.066 55.835 55.803 -0.056 0.000 0.849 368 Q CB 2.012 30.707 28.738 -0.072 0.000 1.274 368 Q HN 0.909 nan 8.270 nan 0.000 0.449 369 A N 2.314 124.920 122.820 -0.356 0.000 2.614 369 A HA 0.071 4.390 4.320 -0.000 0.000 0.231 369 A C 0.073 177.415 177.584 -0.403 0.000 1.076 369 A CA 0.051 51.685 52.037 -0.673 0.000 0.767 369 A CB 0.278 18.922 19.000 -0.594 0.000 1.012 369 A HN 0.494 nan 8.150 nan 0.000 0.512 370 V N 3.950 123.615 119.914 -0.415 0.000 2.394 370 V HA 0.349 4.468 4.120 -0.000 0.000 0.282 370 V C -2.016 173.944 176.094 -0.224 0.000 1.031 370 V CA -1.243 60.897 62.300 -0.268 0.000 0.881 370 V CB 1.283 32.954 31.823 -0.253 0.000 0.982 370 V HN 0.846 nan 8.190 nan 0.000 0.451 371 P HA 0.175 nan 4.420 nan 0.000 0.268 371 P C 0.640 177.872 177.300 -0.114 0.000 1.204 371 P CA -0.233 62.789 63.100 -0.130 0.000 0.768 371 P CB 0.439 32.078 31.700 -0.102 0.000 0.842 372 K N 1.751 122.090 120.400 -0.101 0.000 2.228 372 K HA -0.229 4.090 4.320 -0.000 0.000 0.205 372 K C 1.628 178.189 176.600 -0.066 0.000 1.045 372 K CA 1.115 57.353 56.287 -0.081 0.000 0.931 372 K CB -0.035 32.426 32.500 -0.065 0.000 0.727 372 K HN 0.525 nan 8.250 nan 0.000 0.458 373 E N 1.409 121.570 120.200 -0.065 0.000 2.031 373 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 373 E C 1.944 178.509 176.600 -0.059 0.000 0.994 373 E CA 1.347 57.713 56.400 -0.056 0.000 0.800 373 E CB 0.160 29.827 29.700 -0.054 0.000 0.752 373 E HN 0.251 nan 8.360 nan 0.000 0.447 374 K N 0.380 120.737 120.400 -0.071 0.000 1.980 374 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 374 K C 1.976 178.531 176.600 -0.074 0.000 1.043 374 K CA 1.023 57.265 56.287 -0.075 0.000 0.938 374 K CB -0.395 32.054 32.500 -0.083 0.000 0.724 374 K HN 0.021 nan 8.250 nan 0.000 0.438 375 D N 1.296 121.644 120.400 -0.086 0.000 2.339 375 D HA -0.238 4.402 4.640 -0.000 0.000 0.189 375 D C 1.535 177.810 176.300 -0.042 0.000 1.022 375 D CA 1.776 55.731 54.000 -0.075 0.000 0.884 375 D CB 0.076 40.815 40.800 -0.102 0.000 0.916 375 D HN 0.304 nan 8.370 nan 0.000 0.453 376 E N -1.303 118.871 120.200 -0.044 0.000 2.158 376 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 376 E C 1.932 178.507 176.600 -0.042 0.000 0.982 376 E CA 0.512 56.893 56.400 -0.031 0.000 0.823 376 E CB -0.103 29.582 29.700 -0.025 0.000 0.766 376 E HN 0.242 nan 8.360 nan 0.000 0.468 377 M N 1.090 120.658 119.600 -0.053 0.000 2.082 377 M HA -0.182 4.298 4.480 -0.000 0.000 0.258 377 M C 2.038 178.290 176.300 -0.081 0.000 1.071 377 M CA 1.773 57.037 55.300 -0.061 0.000 1.103 377 M CB -0.511 32.049 32.600 -0.067 0.000 1.307 377 M HN -0.023 nan 8.290 nan 0.000 0.409 378 V N 0.371 120.223 119.914 -0.103 0.000 2.261 378 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 378 V C 2.398 178.353 176.094 -0.232 0.000 1.047 378 V CA 2.350 64.561 62.300 -0.148 0.000 1.015 378 V CB -1.487 30.261 31.823 -0.126 0.000 0.642 378 V HN 0.702 nan 8.190 nan 0.000 0.446 379 E N 0.248 120.275 120.200 -0.289 0.000 2.048 379 E HA -0.344 4.006 4.350 -0.000 0.000 0.202 379 E C 2.381 178.935 176.600 -0.077 0.000 1.021 379 E CA 2.120 58.315 56.400 -0.342 0.000 0.825 379 E CB -0.352 29.316 29.700 -0.054 0.000 0.756 379 E HN 0.615 nan 8.360 nan 0.000 0.454 380 Q N -0.205 119.570 119.800 -0.041 0.000 2.181 380 Q HA -0.249 4.090 4.340 -0.000 0.000 0.205 380 Q C 1.960 177.951 176.000 -0.014 0.000 0.980 380 Q CA 1.774 57.569 55.803 -0.013 0.000 0.862 380 Q CB -0.007 28.723 28.738 -0.013 0.000 0.905 380 Q HN 0.222 nan 8.270 nan 0.000 0.429 381 E N -0.045 120.141 120.200 -0.023 0.000 2.072 381 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 381 E C 1.529 178.155 176.600 0.043 0.000 0.985 381 E CA 0.897 57.303 56.400 0.010 0.000 0.801 381 E CB -0.546 29.141 29.700 -0.021 0.000 0.750 381 E HN 0.355 nan 8.360 nan 0.000 0.452 382 F N 1.986 121.842 119.950 -0.157 0.000 2.027 382 F HA -0.322 4.205 4.527 -0.000 0.000 0.297 382 F C 1.743 177.528 175.800 -0.025 0.000 1.129 382 F CA 2.230 60.132 58.000 -0.164 0.000 1.195 382 F CB -0.907 37.890 39.000 -0.338 0.000 0.960 382 F HN 0.074 nan 8.300 nan 0.000 0.485 383 N N 0.656 119.144 118.700 -0.355 0.000 2.137 383 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 383 N C 2.004 177.405 175.510 -0.182 0.000 1.017 383 N CA 1.659 54.495 53.050 -0.357 0.000 0.859 383 N CB -0.483 37.926 38.487 -0.130 0.000 1.002 383 N HN 0.461 nan 8.380 nan 0.000 0.428 384 R N 0.641 121.089 120.500 -0.088 0.000 2.062 384 R HA 0.057 4.397 4.340 -0.000 0.000 0.231 384 R C 2.454 178.746 176.300 -0.014 0.000 1.136 384 R CA 0.697 56.778 56.100 -0.031 0.000 0.948 384 R CB -0.442 29.859 30.300 0.001 0.000 0.845 384 R HN 0.157 nan 8.270 nan 0.000 0.430 385 L N 0.776 122.009 121.223 0.016 0.000 2.013 385 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 385 L C 2.433 179.330 176.870 0.044 0.000 1.073 385 L CA 1.365 56.249 54.840 0.072 0.000 0.753 385 L CB -0.522 41.649 42.059 0.187 0.000 0.890 385 L HN 0.234 nan 8.230 nan 0.000 0.432 386 L N -0.413 120.776 121.223 -0.056 0.000 1.944 386 L HA -0.301 4.039 4.340 -0.000 0.000 0.218 386 L C 2.601 179.511 176.870 0.067 0.000 1.075 386 L CA 1.695 56.524 54.840 -0.017 0.000 0.767 386 L CB -0.522 41.451 42.059 -0.143 0.000 0.890 386 L HN 0.259 nan 8.230 nan 0.000 0.434 387 E N -0.403 119.821 120.200 0.040 0.000 2.136 387 E HA -0.338 4.012 4.350 -0.000 0.000 0.202 387 E C 2.138 178.806 176.600 0.114 0.000 1.019 387 E CA 1.338 57.788 56.400 0.082 0.000 0.819 387 E CB -0.286 29.442 29.700 0.046 0.000 0.739 387 E HN 0.575 nan 8.360 nan 0.000 0.458 388 A N 1.063 123.927 122.820 0.074 0.000 1.892 388 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 388 A C 2.490 180.166 177.584 0.153 0.000 1.188 388 A CA 2.691 54.776 52.037 0.080 0.000 0.631 388 A CB -1.370 17.649 19.000 0.031 0.000 0.822 388 A HN 0.463 nan 8.150 nan 0.000 0.447 389 T N -2.763 111.871 114.554 0.133 0.000 2.746 389 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 389 T C 2.082 176.863 174.700 0.136 0.000 1.039 389 T CA 1.852 64.034 62.100 0.138 0.000 1.142 389 T CB -0.828 68.113 68.868 0.122 0.000 0.866 389 T HN 0.396 nan 8.240 nan 0.000 0.444 390 S N 0.428 116.226 115.700 0.164 0.000 2.374 390 S HA -0.192 4.277 4.470 -0.000 0.000 0.227 390 S C 1.797 176.481 174.600 0.140 0.000 1.037 390 S CA 1.410 59.699 58.200 0.148 0.000 1.024 390 S CB -0.790 62.545 63.200 0.226 0.000 0.861 390 S HN 0.665 nan 8.310 nan 0.000 0.456 391 Y N 1.397 121.739 120.300 0.069 0.000 2.114 391 Y HA -0.073 4.477 4.550 -0.000 0.000 0.284 391 Y C 1.959 177.878 175.900 0.033 0.000 1.143 391 Y CA 1.781 59.916 58.100 0.058 0.000 1.135 391 Y CB -0.621 37.859 38.460 0.034 0.000 0.980 391 Y HN 0.243 nan 8.280 nan 0.000 0.499 392 L N -0.430 120.890 121.223 0.161 0.000 2.129 392 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 392 L C 2.880 179.744 176.870 -0.010 0.000 1.087 392 L CA 2.014 56.897 54.840 0.071 0.000 0.757 392 L CB -0.802 41.352 42.059 0.158 0.000 0.896 392 L HN 0.331 nan 8.230 nan 0.000 0.434 393 S N -1.361 114.288 115.700 -0.086 0.000 2.336 393 S HA -0.152 4.317 4.470 -0.000 0.000 0.216 393 S C 1.951 176.397 174.600 -0.258 0.000 1.032 393 S CA 1.109 59.180 58.200 -0.215 0.000 0.973 393 S CB -0.202 62.738 63.200 -0.432 0.000 0.888 393 S HN 0.584 nan 8.310 nan 0.000 0.455 394 H N -0.094 118.934 119.070 -0.071 0.000 2.415 394 H HA 0.209 4.765 4.556 -0.000 0.000 0.297 394 H C 2.487 177.720 175.328 -0.157 0.000 1.048 394 H CA 1.148 57.139 56.048 -0.094 0.000 1.365 394 H CB 0.135 29.856 29.762 -0.068 0.000 1.421 394 H HN 0.295 nan 8.280 nan 0.000 0.533 395 Q N 0.337 120.004 119.800 -0.221 0.000 2.134 395 Q HA 0.084 4.424 4.340 -0.000 0.000 0.195 395 Q C 2.098 177.917 176.000 -0.303 0.000 0.958 395 Q CA 0.706 56.286 55.803 -0.372 0.000 0.840 395 Q CB 0.230 28.457 28.738 -0.851 0.000 0.918 395 Q HN 0.454 nan 8.270 nan 0.000 0.467 396 L N 0.838 121.871 121.223 -0.316 0.000 2.567 396 L HA 0.069 4.408 4.340 -0.000 0.000 0.225 396 L C 0.078 176.936 176.870 -0.020 0.000 1.119 396 L CA -0.087 54.674 54.840 -0.131 0.000 0.871 396 L CB 0.071 42.080 42.059 -0.084 0.000 1.036 396 L HN 0.212 nan 8.230 nan 0.000 0.459 397 D N 1.045 121.432 120.400 -0.023 0.000 2.803 397 D HA -0.274 4.366 4.640 -0.000 0.000 0.233 397 D C -0.507 175.858 176.300 0.108 0.000 1.182 397 D CA 0.471 54.483 54.000 0.021 0.000 0.726 397 D CB -0.670 40.137 40.800 0.012 0.000 0.987 397 D HN 0.107 nan 8.370 nan 0.000 0.412 398 F N 2.398 122.309 119.950 -0.065 0.000 2.395 398 F HA 0.350 4.877 4.527 -0.000 0.000 0.347 398 F C 0.708 176.482 175.800 -0.042 0.000 1.157 398 F CA -0.774 57.201 58.000 -0.042 0.000 1.272 398 F CB 0.066 39.047 39.000 -0.032 0.000 1.607 398 F HN -0.029 nan 8.300 nan 0.000 0.571 399 N N 1.594 120.180 118.700 -0.190 0.000 2.360 399 N HA 0.139 4.878 4.740 -0.000 0.000 0.211 399 N C -0.203 175.173 175.510 -0.223 0.000 1.147 399 N CA 0.510 53.435 53.050 -0.208 0.000 0.866 399 N CB 1.019 39.445 38.487 -0.103 0.000 1.206 399 N HN 0.215 nan 8.380 nan 0.000 0.478 400 V N 1.120 120.919 119.914 -0.193 0.000 3.096 400 V HA 0.619 4.739 4.120 -0.000 0.000 0.319 400 V C -0.724 175.247 176.094 -0.205 0.000 1.103 400 V CA -0.836 61.370 62.300 -0.158 0.000 1.016 400 V CB 2.467 34.247 31.823 -0.072 0.000 1.090 400 V HN -0.045 nan 8.190 nan 0.000 0.449 401 L N 2.855 123.994 121.223 -0.140 0.000 2.811 401 L HA 0.421 4.761 4.340 -0.000 0.000 0.251 401 L C -0.384 176.462 176.870 -0.040 0.000 0.971 401 L CA -0.275 54.508 54.840 -0.094 0.000 0.990 401 L CB 0.447 42.411 42.059 -0.159 0.000 1.320 401 L HN 0.852 nan 8.230 nan 0.000 0.473 402 N N 3.191 121.884 118.700 -0.012 0.000 2.688 402 N HA -0.293 4.447 4.740 -0.000 0.000 0.258 402 N C 0.568 176.070 175.510 -0.013 0.000 1.016 402 N CA 0.834 53.881 53.050 -0.004 0.000 0.747 402 N CB -1.210 37.279 38.487 0.004 0.000 0.895 402 N HN 0.845 nan 8.380 nan 0.000 0.543 403 N N -2.566 116.123 118.700 -0.019 0.000 2.811 403 N HA -0.218 4.522 4.740 -0.000 0.000 0.211 403 N C -0.842 174.653 175.510 -0.025 0.000 0.990 403 N CA 2.057 55.097 53.050 -0.018 0.000 1.362 403 N CB -0.533 37.948 38.487 -0.009 0.000 0.940 403 N HN 0.605 nan 8.380 nan 0.000 0.572 404 K N 1.912 122.293 120.400 -0.032 0.000 2.270 404 K HA 0.316 4.636 4.320 -0.000 0.000 0.276 404 K C -2.562 174.001 176.600 -0.061 0.000 1.023 404 K CA -1.302 54.963 56.287 -0.036 0.000 0.955 404 K CB 0.145 32.625 32.500 -0.033 0.000 0.975 404 K HN 0.168 nan 8.250 nan 0.000 0.471 405 P HA 0.048 nan 4.420 nan 0.000 0.271 405 P C -0.167 177.074 177.300 -0.099 0.000 1.216 405 P CA -0.369 62.691 63.100 -0.066 0.000 0.776 405 P CB 0.542 32.234 31.700 -0.013 0.000 0.881 406 V N 2.818 122.632 119.914 -0.166 0.000 2.530 406 V HA 0.154 4.273 4.120 -0.000 0.000 0.282 406 V C 1.238 177.268 176.094 -0.106 0.000 1.048 406 V CA 0.005 62.180 62.300 -0.208 0.000 0.997 406 V CB 0.662 32.236 31.823 -0.415 0.000 0.987 406 V HN 0.735 nan 8.190 nan 0.000 0.477 407 S N 4.465 120.117 115.700 -0.080 0.000 2.669 407 S HA 0.377 4.847 4.470 -0.000 0.000 0.270 407 S C 0.834 175.392 174.600 -0.070 0.000 1.225 407 S CA -0.581 57.586 58.200 -0.055 0.000 0.991 407 S CB 1.259 64.423 63.200 -0.061 0.000 0.987 407 S HN 0.533 nan 8.310 nan 0.000 0.552 408 L N 2.301 123.459 121.223 -0.107 0.000 2.043 408 L HA 0.085 4.425 4.340 -0.000 0.000 0.212 408 L C 2.373 179.143 176.870 -0.165 0.000 1.075 408 L CA 2.556 57.288 54.840 -0.181 0.000 0.752 408 L CB -1.543 40.273 42.059 -0.405 0.000 0.891 408 L HN 1.008 nan 8.230 nan 0.000 0.432 409 G N -1.474 107.218 108.800 -0.180 0.000 2.545 409 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.217 409 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.217 409 G C 1.397 176.229 174.900 -0.114 0.000 1.218 409 G CA 0.961 45.950 45.100 -0.185 0.000 0.787 409 G HN 0.543 nan 8.290 nan 0.000 0.571 410 Q N 0.266 120.029 119.800 -0.062 0.000 1.998 410 Q HA -0.180 4.159 4.340 -0.000 0.000 0.209 410 Q C 3.070 179.111 176.000 0.067 0.000 1.002 410 Q CA 1.730 57.536 55.803 0.005 0.000 0.858 410 Q CB -0.495 28.250 28.738 0.013 0.000 0.932 410 Q HN 0.458 nan 8.270 nan 0.000 0.416 411 A N 0.942 123.820 122.820 0.097 0.000 1.915 411 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 411 A C 2.124 179.756 177.584 0.080 0.000 1.198 411 A CA 1.817 53.954 52.037 0.166 0.000 0.647 411 A CB -1.058 18.022 19.000 0.132 0.000 0.825 411 A HN 0.358 nan 8.150 nan 0.000 0.456 412 L N -1.224 120.003 121.223 0.006 0.000 1.989 412 L HA -0.252 4.088 4.340 -0.000 0.000 0.211 412 L C 2.721 179.599 176.870 0.014 0.000 1.071 412 L CA 1.988 56.828 54.840 -0.000 0.000 0.749 412 L CB -0.704 41.282 42.059 -0.121 0.000 0.890 412 L HN 0.519 nan 8.230 nan 0.000 0.431 413 E N -0.345 119.843 120.200 -0.019 0.000 2.033 413 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 413 E C 2.217 178.829 176.600 0.020 0.000 1.011 413 E CA 1.680 58.083 56.400 0.005 0.000 0.815 413 E CB -0.237 29.460 29.700 -0.005 0.000 0.755 413 E HN 0.192 nan 8.360 nan 0.000 0.451 414 V N 0.804 120.737 119.914 0.032 0.000 2.527 414 V HA -0.257 3.863 4.120 -0.000 0.000 0.255 414 V C 2.165 178.236 176.094 -0.038 0.000 1.081 414 V CA 1.333 63.633 62.300 0.000 0.000 1.092 414 V CB -0.255 31.575 31.823 0.012 0.000 0.673 414 V HN 0.149 nan 8.190 nan 0.000 0.470 415 V N -0.690 119.218 119.914 -0.010 0.000 2.302 415 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 415 V C 2.123 178.183 176.094 -0.056 0.000 1.036 415 V CA 1.901 64.183 62.300 -0.029 0.000 1.020 415 V CB -0.313 31.519 31.823 0.014 0.000 0.657 415 V HN 0.401 nan 8.190 nan 0.000 0.453 416 I N -0.147 120.427 120.570 0.006 0.000 2.151 416 I HA -0.401 3.769 4.170 -0.000 0.000 0.243 416 I C 2.696 178.771 176.117 -0.069 0.000 1.080 416 I CA 1.900 63.206 61.300 0.010 0.000 1.339 416 I CB -0.484 37.611 38.000 0.158 0.000 1.039 416 I HN 0.436 nan 8.210 nan 0.000 0.409 417 Q N 0.160 119.944 119.800 -0.026 0.000 1.985 417 Q HA -0.264 4.076 4.340 -0.000 0.000 0.207 417 Q C 2.261 178.216 176.000 -0.075 0.000 0.996 417 Q CA 1.627 57.411 55.803 -0.031 0.000 0.851 417 Q CB -0.293 28.436 28.738 -0.015 0.000 0.921 417 Q HN 0.307 nan 8.270 nan 0.000 0.418 418 L N 0.848 122.016 121.223 -0.091 0.000 2.129 418 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 418 L C 2.328 179.111 176.870 -0.145 0.000 1.087 418 L CA 1.694 56.474 54.840 -0.100 0.000 0.757 418 L CB -0.741 41.254 42.059 -0.107 0.000 0.896 418 L HN 0.263 nan 8.230 nan 0.000 0.434 419 Q N -0.624 119.009 119.800 -0.279 0.000 2.049 419 Q HA -0.161 4.179 4.340 -0.000 0.000 0.198 419 Q C 2.215 177.989 176.000 -0.376 0.000 0.971 419 Q CA 1.236 56.739 55.803 -0.500 0.000 0.833 419 Q CB -0.270 27.801 28.738 -1.111 0.000 0.896 419 Q HN 0.551 nan 8.270 nan 0.000 0.434 420 E N 0.777 120.804 120.200 -0.287 0.000 2.097 420 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 420 E C 1.987 178.588 176.600 0.001 0.000 1.000 420 E CA 1.085 57.463 56.400 -0.038 0.000 0.804 420 E CB 0.004 29.725 29.700 0.035 0.000 0.740 420 E HN 0.164 nan 8.360 nan 0.000 0.454 421 K N 0.496 120.887 120.400 -0.015 0.000 1.991 421 K HA -0.265 4.055 4.320 -0.000 0.000 0.212 421 K C 2.219 178.840 176.600 0.036 0.000 1.049 421 K CA 2.083 58.375 56.287 0.008 0.000 0.932 421 K CB -0.388 32.111 32.500 -0.001 0.000 0.717 421 K HN 0.261 nan 8.250 nan 0.000 0.441 422 H N 0.196 119.229 119.070 -0.062 0.000 2.426 422 H HA -0.087 4.469 4.556 -0.000 0.000 0.298 422 H C 1.839 177.156 175.328 -0.017 0.000 1.107 422 H CA 1.703 57.725 56.048 -0.044 0.000 1.298 422 H CB 0.041 29.765 29.762 -0.064 0.000 1.377 422 H HN 0.022 nan 8.280 nan 0.000 0.519 423 V N 0.861 120.806 119.914 0.051 0.000 2.332 423 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 423 V C 2.275 178.346 176.094 -0.038 0.000 1.055 423 V CA 2.359 64.670 62.300 0.018 0.000 1.038 423 V CB -0.379 31.514 31.823 0.118 0.000 0.651 423 V HN 0.494 nan 8.190 nan 0.000 0.450 424 K N -0.583 119.810 120.400 -0.012 0.000 1.991 424 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 424 K C 1.964 178.552 176.600 -0.020 0.000 1.045 424 K CA 1.474 57.765 56.287 0.006 0.000 0.937 424 K CB -0.475 32.036 32.500 0.018 0.000 0.720 424 K HN 0.312 nan 8.250 nan 0.000 0.438 425 D N 0.988 121.358 120.400 -0.050 0.000 2.263 425 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 425 D C 1.838 178.084 176.300 -0.090 0.000 1.013 425 D CA 1.384 55.345 54.000 -0.066 0.000 0.892 425 D CB -0.023 40.727 40.800 -0.082 0.000 0.909 425 D HN 0.238 nan 8.370 nan 0.000 0.449 426 E N 0.272 120.365 120.200 -0.178 0.000 2.016 426 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 426 E C 2.233 178.832 176.600 -0.001 0.000 0.985 426 E CA 0.435 56.748 56.400 -0.146 0.000 0.802 426 E CB -0.353 29.200 29.700 -0.246 0.000 0.762 426 E HN 0.419 nan 8.360 nan 0.000 0.448 427 Q N 0.576 120.400 119.800 0.040 0.000 2.096 427 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 427 Q C 2.363 178.575 176.000 0.354 0.000 0.993 427 Q CA 1.398 57.325 55.803 0.206 0.000 0.862 427 Q CB -0.206 28.669 28.738 0.229 0.000 0.915 427 Q HN 0.274 nan 8.270 nan 0.000 0.416 428 I N 0.693 121.386 120.570 0.204 0.000 2.044 428 I HA -0.354 3.816 4.170 -0.000 0.000 0.234 428 I C 2.279 178.499 176.117 0.173 0.000 1.031 428 I CA 2.023 63.428 61.300 0.175 0.000 1.305 428 I CB -0.580 37.467 38.000 0.079 0.000 1.026 428 I HN 0.382 nan 8.210 nan 0.000 0.392 429 E N 0.007 120.265 120.200 0.097 0.000 2.510 429 E HA -0.271 4.079 4.350 -0.000 0.000 0.202 429 E C 1.922 178.568 176.600 0.076 0.000 1.072 429 E CA 1.139 57.580 56.400 0.068 0.000 0.883 429 E CB -0.449 29.268 29.700 0.029 0.000 0.818 429 E HN 0.629 nan 8.360 nan 0.000 0.548 430 H N -0.296 118.771 119.070 -0.005 0.000 2.329 430 H HA -0.057 4.499 4.556 -0.000 0.000 0.306 430 H C 0.981 176.233 175.328 -0.126 0.000 1.062 430 H CA 1.494 57.472 56.048 -0.117 0.000 1.364 430 H CB -0.270 29.346 29.762 -0.243 0.000 1.409 430 H HN 0.329 nan 8.280 nan 0.000 0.519 431 W N 1.837 123.094 121.300 -0.071 0.000 2.388 431 W HA 0.016 4.675 4.660 -0.000 0.000 0.294 431 W C 2.752 179.203 176.519 -0.113 0.000 1.212 431 W CA 0.330 57.594 57.345 -0.135 0.000 1.271 431 W CB -0.192 29.262 29.460 -0.009 0.000 1.126 431 W HN 0.104 nan 8.180 nan 0.000 0.535 432 K N 0.908 121.404 120.400 0.160 0.000 2.286 432 K HA -0.225 4.095 4.320 -0.000 0.000 0.203 432 K C 1.813 178.417 176.600 0.007 0.000 1.045 432 K CA 1.247 57.576 56.287 0.071 0.000 0.935 432 K CB -0.126 32.411 32.500 0.061 0.000 0.737 432 K HN 0.185 nan 8.250 nan 0.000 0.460 433 K N 0.259 120.628 120.400 -0.052 0.000 2.098 433 K HA 0.024 4.344 4.320 -0.000 0.000 0.203 433 K C 2.133 178.666 176.600 -0.112 0.000 1.051 433 K CA 0.523 56.753 56.287 -0.094 0.000 0.957 433 K CB 0.026 32.440 32.500 -0.142 0.000 0.738 433 K HN 0.097 nan 8.250 nan 0.000 0.447 434 I N 1.481 121.950 120.570 -0.168 0.000 2.118 434 I HA -0.329 3.841 4.170 -0.000 0.000 0.241 434 I C 2.404 178.506 176.117 -0.024 0.000 1.070 434 I CA 1.567 62.799 61.300 -0.115 0.000 1.327 434 I CB -0.689 37.250 38.000 -0.102 0.000 1.034 434 I HN 0.012 nan 8.210 nan 0.000 0.405 435 V N -0.568 119.359 119.914 0.021 0.000 2.219 435 V HA -0.361 3.759 4.120 -0.000 0.000 0.248 435 V C 2.461 178.556 176.094 0.001 0.000 1.053 435 V CA 2.128 64.442 62.300 0.022 0.000 1.009 435 V CB -1.253 30.590 31.823 0.033 0.000 0.636 435 V HN 0.385 nan 8.190 nan 0.000 0.445 436 K N -0.233 120.163 120.400 -0.006 0.000 2.189 436 K HA -0.256 4.063 4.320 -0.000 0.000 0.207 436 K C 2.235 178.824 176.600 -0.018 0.000 1.046 436 K CA 2.378 58.658 56.287 -0.011 0.000 0.928 436 K CB -0.421 32.070 32.500 -0.015 0.000 0.720 436 K HN 0.708 nan 8.250 nan 0.000 0.458 437 T N -0.025 114.514 114.554 -0.026 0.000 2.781 437 T HA -0.109 4.241 4.350 -0.000 0.000 0.252 437 T C 1.641 176.328 174.700 -0.021 0.000 1.039 437 T CA 1.065 63.148 62.100 -0.029 0.000 1.147 437 T CB -0.104 68.738 68.868 -0.042 0.000 0.865 437 T HN 0.255 nan 8.240 nan 0.000 0.423 438 Q N 0.952 120.743 119.800 -0.015 0.000 2.268 438 Q HA -0.145 4.195 4.340 -0.000 0.000 0.210 438 Q C 1.855 177.851 176.000 -0.006 0.000 0.988 438 Q CA 1.553 57.353 55.803 -0.006 0.000 0.883 438 Q CB -0.050 28.693 28.738 0.009 0.000 0.911 438 Q HN 0.551 nan 8.270 nan 0.000 0.430 439 E N -1.036 119.159 120.200 -0.007 0.000 2.400 439 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 439 E C 1.482 178.075 176.600 -0.011 0.000 1.012 439 E CA 0.138 56.534 56.400 -0.007 0.000 0.875 439 E CB 0.203 29.900 29.700 -0.004 0.000 0.859 439 E HN 0.442 nan 8.360 nan 0.000 0.498 440 E N 0.678 120.869 120.200 -0.015 0.000 2.072 440 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 440 E C 2.089 178.676 176.600 -0.022 0.000 0.982 440 E CA 0.426 56.815 56.400 -0.019 0.000 0.803 440 E CB 0.089 29.776 29.700 -0.021 0.000 0.755 440 E HN 0.079 nan 8.360 nan 0.000 0.453 441 L N 1.940 123.150 121.223 -0.022 0.000 2.042 441 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 441 L C 2.309 179.166 176.870 -0.022 0.000 1.076 441 L CA 1.808 56.633 54.840 -0.025 0.000 0.749 441 L CB -0.327 41.719 42.059 -0.021 0.000 0.893 441 L HN -0.047 nan 8.230 nan 0.000 0.432 442 K N -0.426 119.965 120.400 -0.015 0.000 1.987 442 K HA -0.261 4.059 4.320 -0.000 0.000 0.216 442 K C 2.045 178.637 176.600 -0.014 0.000 1.051 442 K CA 2.178 58.458 56.287 -0.012 0.000 0.942 442 K CB -0.312 32.184 32.500 -0.007 0.000 0.722 442 K HN 0.437 nan 8.250 nan 0.000 0.444 443 E N 0.478 120.669 120.200 -0.014 0.000 2.097 443 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 443 E C 2.131 178.719 176.600 -0.020 0.000 1.000 443 E CA 1.468 57.860 56.400 -0.014 0.000 0.804 443 E CB -0.151 29.541 29.700 -0.013 0.000 0.740 443 E HN 0.268 nan 8.360 nan 0.000 0.454 444 L N 0.871 122.076 121.223 -0.029 0.000 2.046 444 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 444 L C 2.163 179.003 176.870 -0.049 0.000 1.077 444 L CA 1.267 56.081 54.840 -0.043 0.000 0.747 444 L CB -0.137 41.890 42.059 -0.053 0.000 0.896 444 L HN 0.112 nan 8.230 nan 0.000 0.432 445 L N -0.484 120.715 121.223 -0.039 0.000 2.046 445 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 445 L C 2.327 179.188 176.870 -0.014 0.000 1.077 445 L CA 1.244 56.064 54.840 -0.032 0.000 0.747 445 L CB -0.867 41.180 42.059 -0.020 0.000 0.896 445 L HN 0.366 nan 8.230 nan 0.000 0.432 446 N N 0.334 119.029 118.700 -0.009 0.000 2.084 446 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 446 N C 1.764 177.277 175.510 0.004 0.000 1.030 446 N CA 1.235 54.285 53.050 0.001 0.000 0.849 446 N CB -0.200 38.286 38.487 -0.001 0.000 1.012 446 N HN 0.209 nan 8.380 nan 0.000 0.423 447 K N 0.158 120.555 120.400 -0.005 0.000 2.103 447 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 447 K C 1.986 178.591 176.600 0.008 0.000 1.048 447 K CA 1.021 57.306 56.287 -0.002 0.000 0.930 447 K CB -0.062 32.428 32.500 -0.016 0.000 0.716 447 K HN 0.175 nan 8.250 nan 0.000 0.444 448 M N -0.138 119.454 119.600 -0.013 0.000 2.099 448 M HA -0.163 4.316 4.480 -0.000 0.000 0.262 448 M C 2.115 178.484 176.300 0.115 0.000 1.067 448 M CA 1.101 56.399 55.300 -0.002 0.000 1.124 448 M CB 0.017 32.543 32.600 -0.123 0.000 1.353 448 M HN -0.019 nan 8.290 nan 0.000 0.410 449 V N 1.138 121.095 119.914 0.073 0.000 2.233 449 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 449 V C 1.674 177.810 176.094 0.069 0.000 1.050 449 V CA 2.100 64.445 62.300 0.076 0.000 1.010 449 V CB -0.814 31.034 31.823 0.042 0.000 0.637 449 V HN 0.496 nan 8.190 nan 0.000 0.444 450 N N -0.450 118.280 118.700 0.050 0.000 2.519 450 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 450 N C 1.232 176.772 175.510 0.049 0.000 1.062 450 N CA 0.761 53.835 53.050 0.039 0.000 0.910 450 N CB -0.239 38.264 38.487 0.027 0.000 0.958 450 N HN 0.351 nan 8.380 nan 0.000 0.445 451 L N 0.696 121.970 121.223 0.086 0.000 2.145 451 L HA 0.111 4.451 4.340 -0.000 0.000 0.201 451 L C 1.987 178.896 176.870 0.065 0.000 1.075 451 L CA 1.258 56.159 54.840 0.103 0.000 0.773 451 L CB -0.382 41.788 42.059 0.186 0.000 0.936 451 L HN -0.059 nan 8.230 nan 0.000 0.451 452 K N -0.657 119.791 120.400 0.081 0.000 2.228 452 K HA -0.261 4.059 4.320 -0.000 0.000 0.205 452 K C 1.868 178.448 176.600 -0.033 0.000 1.045 452 K CA 1.412 57.669 56.287 -0.050 0.000 0.931 452 K CB 0.163 32.651 32.500 -0.020 0.000 0.727 452 K HN 0.189 nan 8.250 nan 0.000 0.458 453 E N 0.936 121.139 120.200 0.005 0.000 2.015 453 E HA -0.098 4.251 4.350 -0.000 0.000 0.191 453 E C 1.726 178.326 176.600 -0.000 0.000 0.991 453 E CA 1.292 57.694 56.400 0.003 0.000 0.802 453 E CB 0.051 29.759 29.700 0.013 0.000 0.759 453 E HN 0.149 nan 8.360 nan 0.000 0.447 454 K N 0.163 120.567 120.400 0.006 0.000 2.020 454 K HA -0.151 4.169 4.320 -0.000 0.000 0.212 454 K C 2.284 178.881 176.600 -0.006 0.000 1.050 454 K CA 1.516 57.806 56.287 0.005 0.000 0.929 454 K CB -0.438 32.068 32.500 0.009 0.000 0.714 454 K HN 0.188 nan 8.250 nan 0.000 0.443 455 I N 1.105 121.658 120.570 -0.028 0.000 2.151 455 I HA -0.362 3.807 4.170 -0.000 0.000 0.243 455 I C 2.615 178.708 176.117 -0.041 0.000 1.080 455 I CA 1.415 62.681 61.300 -0.057 0.000 1.339 455 I CB -0.380 37.543 38.000 -0.129 0.000 1.039 455 I HN 0.264 nan 8.210 nan 0.000 0.409 456 K N 0.965 121.335 120.400 -0.050 0.000 2.015 456 K HA -0.281 4.039 4.320 -0.000 0.000 0.216 456 K C 2.138 178.760 176.600 0.037 0.000 1.052 456 K CA 2.119 58.389 56.287 -0.029 0.000 0.937 456 K CB -0.210 32.272 32.500 -0.031 0.000 0.719 456 K HN 0.225 nan 8.250 nan 0.000 0.446 457 E N 0.603 120.820 120.200 0.028 0.000 2.481 457 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 457 E C 1.636 178.265 176.600 0.049 0.000 1.047 457 E CA 0.223 56.647 56.400 0.040 0.000 0.867 457 E CB 0.157 29.871 29.700 0.024 0.000 0.858 457 E HN 0.389 nan 8.360 nan 0.000 0.513 458 L N 0.380 121.633 121.223 0.050 0.000 2.446 458 L HA -0.028 4.312 4.340 -0.000 0.000 0.219 458 L C 2.055 178.979 176.870 0.089 0.000 1.116 458 L CA 0.951 55.821 54.840 0.050 0.000 0.844 458 L CB -0.448 41.623 42.059 0.021 0.000 0.970 458 L HN 0.244 nan 8.230 nan 0.000 0.457 459 H N -0.428 118.640 119.070 -0.003 0.000 2.372 459 H HA -0.181 4.375 4.556 -0.000 0.000 0.301 459 H C 2.199 177.576 175.328 0.082 0.000 1.065 459 H CA 1.781 57.840 56.048 0.019 0.000 1.364 459 H CB 0.290 30.036 29.762 -0.027 0.000 1.406 459 H HN 0.155 nan 8.280 nan 0.000 0.521 460 Q N 0.983 120.858 119.800 0.124 0.000 2.012 460 Q HA -0.273 4.067 4.340 -0.000 0.000 0.211 460 Q C 2.327 178.330 176.000 0.005 0.000 1.009 460 Q CA 2.532 58.364 55.803 0.048 0.000 0.866 460 Q CB -0.500 28.272 28.738 0.056 0.000 0.945 460 Q HN 0.708 nan 8.270 nan 0.000 0.414 461 Q N -1.625 118.191 119.800 0.027 0.000 2.112 461 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 461 Q C 1.973 177.982 176.000 0.015 0.000 0.987 461 Q CA 1.832 57.646 55.803 0.017 0.000 0.858 461 Q CB -0.416 28.339 28.738 0.028 0.000 0.905 461 Q HN 0.601 nan 8.270 nan 0.000 0.420 462 Y N 1.174 121.412 120.300 -0.104 0.000 2.242 462 Y HA -0.194 4.356 4.550 -0.000 0.000 0.291 462 Y C 2.104 177.917 175.900 -0.145 0.000 1.137 462 Y CA 1.345 59.375 58.100 -0.115 0.000 1.181 462 Y CB 0.153 38.535 38.460 -0.130 0.000 0.989 462 Y HN -0.142 nan 8.280 nan 0.000 0.527 463 K N 0.984 121.318 120.400 -0.110 0.000 1.985 463 K HA -0.163 4.156 4.320 -0.000 0.000 0.210 463 K C 1.959 178.445 176.600 -0.191 0.000 1.047 463 K CA 2.196 58.369 56.287 -0.191 0.000 0.932 463 K CB -0.381 32.029 32.500 -0.150 0.000 0.716 463 K HN 0.481 nan 8.250 nan 0.000 0.439 464 E N -0.685 119.443 120.200 -0.119 0.000 2.130 464 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 464 E C 1.607 178.138 176.600 -0.116 0.000 0.998 464 E CA 1.311 57.657 56.400 -0.091 0.000 0.806 464 E CB -0.147 29.521 29.700 -0.053 0.000 0.738 464 E HN 0.397 nan 8.360 nan 0.000 0.459 465 A N 0.161 122.888 122.820 -0.156 0.000 2.178 465 A HA 0.059 4.379 4.320 -0.000 0.000 0.211 465 A C 2.032 179.479 177.584 -0.228 0.000 1.157 465 A CA 0.503 52.447 52.037 -0.154 0.000 0.780 465 A CB 0.204 19.126 19.000 -0.129 0.000 0.828 465 A HN 0.108 nan 8.150 nan 0.000 0.476 466 S N -0.437 115.056 115.700 -0.344 0.000 2.486 466 S HA -0.028 4.442 4.470 -0.000 0.000 0.220 466 S C 1.629 176.106 174.600 -0.205 0.000 1.011 466 S CA 0.646 58.624 58.200 -0.371 0.000 0.921 466 S CB -0.169 62.644 63.200 -0.646 0.000 0.785 466 S HN 0.597 nan 8.310 nan 0.000 0.517 467 E N 1.189 121.293 120.200 -0.160 0.000 2.107 467 E HA -0.011 4.338 4.350 -0.000 0.000 0.191 467 E C 0.642 177.197 176.600 -0.076 0.000 0.982 467 E CA 0.429 56.771 56.400 -0.097 0.000 0.809 467 E CB -0.672 28.984 29.700 -0.074 0.000 0.756 467 E HN 0.295 nan 8.360 nan 0.000 0.459 468 V N 4.446 124.314 119.914 -0.076 0.000 2.568 468 V HA -0.114 4.006 4.120 -0.000 0.000 0.270 468 V C 0.830 176.892 176.094 -0.053 0.000 0.963 468 V CA 0.641 62.907 62.300 -0.055 0.000 1.161 468 V CB -0.746 31.047 31.823 -0.050 0.000 0.969 468 V HN 0.052 nan 8.190 nan 0.000 0.464 469 K N 7.075 127.451 120.400 -0.041 0.000 2.382 469 K HA 0.272 4.591 4.320 -0.000 0.000 0.275 469 K C -1.914 174.669 176.600 -0.029 0.000 1.009 469 K CA -1.221 55.045 56.287 -0.036 0.000 0.970 469 K CB 0.671 33.154 32.500 -0.027 0.000 0.934 469 K HN 0.419 nan 8.250 nan 0.000 0.479 470 P HA 0.196 nan 4.420 nan 0.000 0.274 470 P C -2.402 174.889 177.300 -0.015 0.000 1.246 470 P CA -1.117 61.972 63.100 -0.020 0.000 0.795 470 P CB -0.530 31.158 31.700 -0.019 0.000 1.006 471 P HA 0.299 nan 4.420 nan 0.000 0.287 471 P C -0.363 176.932 177.300 -0.008 0.000 1.281 471 P CA -0.257 62.838 63.100 -0.009 0.000 0.781 471 P CB 0.894 32.590 31.700 -0.006 0.000 0.903 472 R N 1.266 121.762 120.500 -0.006 0.000 2.828 472 R HA 0.544 4.884 4.340 -0.000 0.000 0.264 472 R C -0.249 176.054 176.300 0.004 0.000 1.022 472 R CA -0.897 55.201 56.100 -0.003 0.000 1.021 472 R CB 0.605 30.901 30.300 -0.006 0.000 1.163 472 R HN 0.374 nan 8.270 nan 0.000 0.494 473 D N 0.294 120.698 120.400 0.007 0.000 2.398 473 D HA -0.021 4.619 4.640 -0.000 0.000 0.247 473 D C 0.864 177.178 176.300 0.022 0.000 1.227 473 D CA -0.648 53.359 54.000 0.010 0.000 0.980 473 D CB 0.585 41.389 40.800 0.007 0.000 1.106 473 D HN 0.430 nan 8.370 nan 0.000 0.493 474 I N -0.142 120.441 120.570 0.022 0.000 2.394 474 I HA -0.167 4.002 4.170 -0.000 0.000 0.251 474 I C 2.233 178.394 176.117 0.073 0.000 1.136 474 I CA 1.803 63.126 61.300 0.039 0.000 1.425 474 I CB -0.811 37.199 38.000 0.017 0.000 1.079 474 I HN 0.743 nan 8.210 nan 0.000 0.425 475 T N -1.892 112.694 114.554 0.053 0.000 2.857 475 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 475 T C 1.974 176.766 174.700 0.154 0.000 1.048 475 T CA 0.892 63.049 62.100 0.095 0.000 1.139 475 T CB -0.710 68.184 68.868 0.044 0.000 0.874 475 T HN 0.234 nan 8.240 nan 0.000 0.455 476 A N 1.222 124.093 122.820 0.085 0.000 2.014 476 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 476 A C 2.240 179.855 177.584 0.052 0.000 1.163 476 A CA 1.632 53.704 52.037 0.058 0.000 0.652 476 A CB -0.677 18.336 19.000 0.023 0.000 0.808 476 A HN 0.571 nan 8.150 nan 0.000 0.449 477 E N -0.713 119.529 120.200 0.071 0.000 2.072 477 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 477 E C 1.573 178.230 176.600 0.096 0.000 0.982 477 E CA 1.195 57.630 56.400 0.059 0.000 0.803 477 E CB -0.435 29.299 29.700 0.057 0.000 0.755 477 E HN 0.547 nan 8.360 nan 0.000 0.453 478 F N 0.356 120.306 119.950 0.000 0.000 2.161 478 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 478 F C 1.844 177.657 175.800 0.021 0.000 1.089 478 F CA 1.240 59.247 58.000 0.011 0.000 1.282 478 F CB -0.371 38.635 39.000 0.009 0.000 1.010 478 F HN 0.148 nan 8.300 nan 0.000 0.485 479 L N -0.242 120.976 121.223 -0.009 0.000 1.989 479 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 479 L C 2.351 179.142 176.870 -0.133 0.000 1.071 479 L CA 1.825 56.598 54.840 -0.111 0.000 0.749 479 L CB -0.738 41.324 42.059 0.005 0.000 0.890 479 L HN 0.072 nan 8.230 nan 0.000 0.431 480 V N -0.469 119.397 119.914 -0.081 0.000 2.220 480 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 480 V C 2.659 178.768 176.094 0.024 0.000 1.049 480 V CA 1.914 64.177 62.300 -0.062 0.000 1.003 480 V CB -0.874 30.888 31.823 -0.102 0.000 0.634 480 V HN 0.389 nan 8.190 nan 0.000 0.444 481 K N 0.602 120.980 120.400 -0.037 0.000 2.089 481 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 481 K C 2.581 179.138 176.600 -0.071 0.000 1.048 481 K CA 2.092 58.356 56.287 -0.038 0.000 0.926 481 K CB -0.961 31.512 32.500 -0.046 0.000 0.714 481 K HN 0.638 nan 8.250 nan 0.000 0.448 482 S N 0.936 116.465 115.700 -0.285 0.000 2.335 482 S HA -0.096 4.373 4.470 -0.000 0.000 0.217 482 S C 1.826 176.347 174.600 -0.131 0.000 1.032 482 S CA 0.870 58.852 58.200 -0.363 0.000 0.985 482 S CB -0.010 62.655 63.200 -0.892 0.000 0.896 482 S HN 0.121 nan 8.310 nan 0.000 0.445 483 K N 0.825 121.184 120.400 -0.067 0.000 2.160 483 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 483 K C 2.150 178.786 176.600 0.060 0.000 1.047 483 K CA 1.534 57.840 56.287 0.032 0.000 0.930 483 K CB -0.932 31.638 32.500 0.118 0.000 0.720 483 K HN 0.679 nan 8.250 nan 0.000 0.450 484 H N 1.211 120.303 119.070 0.036 0.000 2.389 484 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 484 H C 2.186 177.463 175.328 -0.086 0.000 1.081 484 H CA 1.344 57.350 56.048 -0.071 0.000 1.345 484 H CB 0.243 30.020 29.762 0.024 0.000 1.393 484 H HN 0.132 nan 8.280 nan 0.000 0.520 485 R N 0.489 121.043 120.500 0.091 0.000 2.064 485 R HA -0.120 4.220 4.340 -0.000 0.000 0.228 485 R C 1.599 177.869 176.300 -0.050 0.000 1.144 485 R CA 1.740 57.855 56.100 0.025 0.000 0.932 485 R CB -0.258 30.060 30.300 0.031 0.000 0.833 485 R HN 0.241 nan 8.270 nan 0.000 0.429 486 D N 0.790 121.165 120.400 -0.042 0.000 2.276 486 D HA -0.220 4.420 4.640 -0.000 0.000 0.200 486 D C 1.672 177.931 176.300 -0.068 0.000 1.004 486 D CA 1.050 55.025 54.000 -0.043 0.000 0.898 486 D CB -0.078 40.703 40.800 -0.032 0.000 0.906 486 D HN 0.217 nan 8.370 nan 0.000 0.457 487 L N -0.010 121.138 121.223 -0.125 0.000 2.130 487 L HA -0.048 4.292 4.340 -0.000 0.000 0.200 487 L C 2.444 179.206 176.870 -0.180 0.000 1.075 487 L CA 1.445 56.186 54.840 -0.164 0.000 0.768 487 L CB -0.681 41.227 42.059 -0.251 0.000 0.933 487 L HN 0.100 nan 8.230 nan 0.000 0.451 488 T N -2.511 111.898 114.554 -0.241 0.000 2.833 488 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 488 T C 1.895 176.542 174.700 -0.088 0.000 1.054 488 T CA 0.966 62.958 62.100 -0.179 0.000 1.135 488 T CB -0.840 67.920 68.868 -0.182 0.000 0.869 488 T HN 0.332 nan 8.240 nan 0.000 0.466 489 A N 2.244 125.024 122.820 -0.066 0.000 1.873 489 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 489 A C 2.407 179.978 177.584 -0.022 0.000 1.193 489 A CA 1.700 53.719 52.037 -0.031 0.000 0.629 489 A CB -1.062 17.925 19.000 -0.021 0.000 0.826 489 A HN 0.571 nan 8.150 nan 0.000 0.447 490 L N -0.891 120.314 121.223 -0.031 0.000 2.551 490 L HA -0.132 4.207 4.340 -0.000 0.000 0.228 490 L C 2.024 178.895 176.870 0.002 0.000 1.153 490 L CA 0.280 55.115 54.840 -0.009 0.000 0.851 490 L CB -0.504 41.545 42.059 -0.017 0.000 0.959 490 L HN 0.540 nan 8.230 nan 0.000 0.451 491 C N -1.110 118.175 119.300 -0.025 0.000 2.525 491 C HA -0.008 4.452 4.460 -0.000 0.000 0.291 491 C C 2.661 177.672 174.990 0.035 0.000 1.351 491 C CA -0.232 58.777 59.018 -0.016 0.000 1.771 491 C CB 0.156 27.850 27.740 -0.077 0.000 2.177 491 C HN 0.419 nan 8.230 nan 0.000 0.510 492 K N 2.065 122.471 120.400 0.011 0.000 2.001 492 K HA -0.226 4.094 4.320 -0.000 0.000 0.223 492 K C 1.789 178.413 176.600 0.040 0.000 1.055 492 K CA 2.016 58.314 56.287 0.019 0.000 0.965 492 K CB -0.527 31.976 32.500 0.005 0.000 0.730 492 K HN 0.501 nan 8.250 nan 0.000 0.449 493 E N -1.180 119.044 120.200 0.041 0.000 2.086 493 E HA -0.276 4.074 4.350 -0.000 0.000 0.205 493 E C 2.067 178.709 176.600 0.070 0.000 1.027 493 E CA 2.076 58.503 56.400 0.045 0.000 0.830 493 E CB -0.361 29.366 29.700 0.046 0.000 0.751 493 E HN 0.547 nan 8.360 nan 0.000 0.456 494 Y N 1.146 121.430 120.300 -0.027 0.000 2.509 494 Y HA -0.136 4.414 4.550 -0.000 0.000 0.293 494 Y C 1.610 177.494 175.900 -0.026 0.000 1.133 494 Y CA 0.935 59.020 58.100 -0.026 0.000 1.283 494 Y CB 0.285 38.726 38.460 -0.032 0.000 1.001 494 Y HN -0.019 nan 8.280 nan 0.000 0.555 495 D N 0.372 120.876 120.400 0.174 0.000 2.137 495 D HA -0.148 4.491 4.640 -0.000 0.000 0.202 495 D C 1.705 178.000 176.300 -0.009 0.000 0.970 495 D CA 1.321 55.377 54.000 0.093 0.000 0.837 495 D CB -0.167 40.681 40.800 0.080 0.000 0.981 495 D HN 0.536 nan 8.370 nan 0.000 0.475 496 E N -0.020 120.172 120.200 -0.013 0.000 2.267 496 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 496 E C 1.695 178.250 176.600 -0.075 0.000 0.998 496 E CA 0.401 56.780 56.400 -0.035 0.000 0.830 496 E CB 0.147 29.835 29.700 -0.020 0.000 0.751 496 E HN 0.179 nan 8.360 nan 0.000 0.491 497 L N -0.054 121.089 121.223 -0.134 0.000 2.253 497 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 497 L C 2.223 178.953 176.870 -0.233 0.000 1.078 497 L CA 1.049 55.774 54.840 -0.192 0.000 0.805 497 L CB -0.355 41.551 42.059 -0.255 0.000 0.963 497 L HN -0.012 nan 8.230 nan 0.000 0.459 498 A N -0.840 121.801 122.820 -0.298 0.000 2.067 498 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 498 A C 2.120 179.639 177.584 -0.108 0.000 1.158 498 A CA 1.438 53.344 52.037 -0.218 0.000 0.661 498 A CB -0.370 18.522 19.000 -0.181 0.000 0.801 498 A HN 0.416 nan 8.150 nan 0.000 0.452 499 E N -0.154 119.994 120.200 -0.086 0.000 1.997 499 E HA -0.162 4.188 4.350 -0.000 0.000 0.201 499 E C 1.970 178.537 176.600 -0.056 0.000 1.011 499 E CA 2.245 58.612 56.400 -0.055 0.000 0.847 499 E CB -0.758 28.916 29.700 -0.043 0.000 0.787 499 E HN 0.372 nan 8.360 nan 0.000 0.472 500 T N 0.625 115.143 114.554 -0.062 0.000 2.680 500 T HA -0.317 4.033 4.350 -0.000 0.000 0.268 500 T C 1.757 176.421 174.700 -0.060 0.000 1.033 500 T CA 1.849 63.914 62.100 -0.057 0.000 1.152 500 T CB -0.407 68.425 68.868 -0.061 0.000 0.859 500 T HN 0.335 nan 8.240 nan 0.000 0.452 501 Q N 0.010 119.762 119.800 -0.079 0.000 2.061 501 Q HA -0.140 4.199 4.340 -0.000 0.000 0.204 501 Q C 2.562 178.531 176.000 -0.051 0.000 0.984 501 Q CA 1.874 57.634 55.803 -0.072 0.000 0.846 501 Q CB -0.605 28.077 28.738 -0.094 0.000 0.902 501 Q HN 0.608 nan 8.270 nan 0.000 0.421 502 G N 0.840 109.612 108.800 -0.047 0.000 2.418 502 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 502 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 502 G C 1.353 176.235 174.900 -0.029 0.000 1.158 502 G CA 0.880 45.960 45.100 -0.034 0.000 0.771 502 G HN 0.307 nan 8.290 nan 0.000 0.545 503 K N -0.106 120.276 120.400 -0.031 0.000 2.020 503 K HA -0.007 4.313 4.320 -0.000 0.000 0.212 503 K C 2.503 179.086 176.600 -0.028 0.000 1.050 503 K CA 1.126 57.396 56.287 -0.028 0.000 0.929 503 K CB -0.342 32.142 32.500 -0.028 0.000 0.714 503 K HN 0.269 nan 8.250 nan 0.000 0.443 504 L N 0.711 121.915 121.223 -0.031 0.000 2.093 504 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 504 L C 2.222 179.075 176.870 -0.028 0.000 1.085 504 L CA 1.197 56.018 54.840 -0.031 0.000 0.755 504 L CB -0.456 41.583 42.059 -0.033 0.000 0.904 504 L HN 0.267 nan 8.230 nan 0.000 0.435 505 E N 0.347 120.531 120.200 -0.027 0.000 2.204 505 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 505 E C 1.921 178.509 176.600 -0.020 0.000 0.989 505 E CA 1.407 57.794 56.400 -0.022 0.000 0.824 505 E CB 0.186 29.874 29.700 -0.020 0.000 0.756 505 E HN 0.671 nan 8.360 nan 0.000 0.477 506 E N 0.571 120.759 120.200 -0.021 0.000 2.201 506 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 506 E C 1.500 178.086 176.600 -0.024 0.000 0.957 506 E CA 0.133 56.521 56.400 -0.020 0.000 0.858 506 E CB -0.152 29.537 29.700 -0.018 0.000 0.816 506 E HN -0.152 nan 8.360 nan 0.000 0.475 507 K N 0.976 121.360 120.400 -0.027 0.000 3.319 507 K HA 0.030 4.350 4.320 -0.000 0.000 0.296 507 K C 0.295 176.872 176.600 -0.039 0.000 0.916 507 K CA 0.218 56.486 56.287 -0.032 0.000 1.103 507 K CB -0.094 32.387 32.500 -0.031 0.000 1.142 507 K HN 0.373 nan 8.250 nan 0.000 0.416 508 L N -1.486 119.714 121.223 -0.037 0.000 2.598 508 L HA -0.040 4.300 4.340 -0.000 0.000 0.284 508 L C 1.694 178.544 176.870 -0.034 0.000 1.073 508 L CA -0.053 54.762 54.840 -0.042 0.000 1.361 508 L CB 0.154 42.195 42.059 -0.031 0.000 2.544 508 L HN 0.123 nan 8.230 nan 0.000 0.561 509 Q N 0.358 120.144 119.800 -0.023 0.000 2.224 509 Q HA -0.245 4.095 4.340 -0.000 0.000 0.203 509 Q C 1.611 177.597 176.000 -0.023 0.000 0.970 509 Q CA 1.851 57.643 55.803 -0.018 0.000 0.865 509 Q CB 0.290 29.021 28.738 -0.012 0.000 0.922 509 Q HN 0.344 nan 8.270 nan 0.000 0.445 510 E N 0.917 121.101 120.200 -0.027 0.000 2.033 510 E HA -0.210 4.139 4.350 -0.000 0.000 0.199 510 E C 1.621 178.202 176.600 -0.031 0.000 1.011 510 E CA 1.538 57.921 56.400 -0.028 0.000 0.815 510 E CB -0.423 29.260 29.700 -0.029 0.000 0.755 510 E HN 0.330 nan 8.360 nan 0.000 0.451 511 L N -0.191 121.003 121.223 -0.049 0.000 2.156 511 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 511 L C 2.478 179.320 176.870 -0.045 0.000 1.095 511 L CA 1.448 56.253 54.840 -0.058 0.000 0.770 511 L CB -0.473 41.486 42.059 -0.167 0.000 0.914 511 L HN 0.214 nan 8.230 nan 0.000 0.439 512 E N 0.257 120.417 120.200 -0.067 0.000 2.347 512 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 512 E C 2.192 178.769 176.600 -0.039 0.000 1.008 512 E CA 0.881 57.245 56.400 -0.059 0.000 0.852 512 E CB 0.048 29.736 29.700 -0.019 0.000 0.783 512 E HN 0.438 nan 8.360 nan 0.000 0.505 513 A N 1.745 124.545 122.820 -0.032 0.000 1.897 513 A HA -0.086 4.233 4.320 -0.000 0.000 0.215 513 A C 0.822 178.377 177.584 -0.047 0.000 1.181 513 A CA 0.873 52.892 52.037 -0.030 0.000 0.620 513 A CB -0.065 18.921 19.000 -0.024 0.000 0.821 513 A HN 0.267 nan 8.150 nan 0.000 0.443 514 N N 0.883 119.547 118.700 -0.059 0.000 2.898 514 N HA 0.295 5.035 4.740 -0.000 0.000 0.245 514 N C -3.265 172.116 175.510 -0.215 0.000 1.185 514 N CA -1.315 51.676 53.050 -0.098 0.000 0.879 514 N CB 0.761 39.205 38.487 -0.071 0.000 1.157 514 N HN 0.183 nan 8.380 nan 0.000 0.503 515 P HA 0.272 nan 4.420 nan 0.000 0.271 515 P C -2.315 174.700 177.300 -0.476 0.000 1.233 515 P CA -0.517 62.205 63.100 -0.629 0.000 0.789 515 P CB 0.153 31.653 31.700 -0.333 0.000 0.951 516 P HA 0.187 nan 4.420 nan 0.000 0.317 516 P C -0.345 176.874 177.300 -0.135 0.000 1.307 516 P CA -0.545 62.405 63.100 -0.250 0.000 0.749 516 P CB 0.202 31.773 31.700 -0.215 0.000 1.377 517 S N 0.351 116.017 115.700 -0.057 0.000 2.549 517 S HA -0.024 4.446 4.470 -0.000 0.000 0.286 517 S C 1.082 175.694 174.600 0.021 0.000 1.314 517 S CA -0.013 58.184 58.200 -0.005 0.000 1.062 517 S CB -0.114 63.106 63.200 0.034 0.000 0.865 517 S HN 0.507 nan 8.310 nan 0.000 0.498 518 D N 1.772 122.190 120.400 0.031 0.000 2.097 518 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 518 D C 0.648 176.987 176.300 0.064 0.000 0.984 518 D CA 1.178 55.210 54.000 0.054 0.000 0.826 518 D CB 0.129 40.955 40.800 0.044 0.000 0.973 518 D HN 0.417 nan 8.370 nan 0.000 0.460 519 V N -2.439 117.513 119.914 0.064 0.000 3.040 519 V HA 0.336 4.456 4.120 -0.000 0.000 0.312 519 V C 0.687 176.859 176.094 0.129 0.000 1.115 519 V CA -0.989 61.362 62.300 0.084 0.000 0.998 519 V CB 1.320 33.172 31.823 0.050 0.000 1.042 519 V HN 0.036 nan 8.190 nan 0.000 0.433 520 Y N 3.216 123.539 120.300 0.039 0.000 2.153 520 Y HA 0.436 4.986 4.550 -0.000 0.000 0.289 520 Y C 0.370 176.291 175.900 0.036 0.000 1.127 520 Y CA 1.178 59.304 58.100 0.044 0.000 1.131 520 Y CB 0.189 38.682 38.460 0.054 0.000 0.995 520 Y HN 0.580 nan 8.280 nan 0.000 0.505 521 L N -0.141 120.968 121.223 -0.189 0.000 2.482 521 L HA 0.337 4.677 4.340 -0.000 0.000 0.263 521 L C -0.075 176.752 176.870 -0.071 0.000 0.957 521 L CA -0.888 53.814 54.840 -0.230 0.000 0.836 521 L CB 1.979 43.847 42.059 -0.318 0.000 1.324 521 L HN -0.012 nan 8.230 nan 0.000 0.406 522 S N 0.196 115.858 115.700 -0.063 0.000 2.608 522 S HA 0.184 4.654 4.470 -0.000 0.000 0.261 522 S C 1.048 175.640 174.600 -0.014 0.000 1.314 522 S CA -0.092 58.092 58.200 -0.026 0.000 0.992 522 S CB 1.318 64.500 63.200 -0.030 0.000 0.935 522 S HN 0.585 nan 8.310 nan 0.000 0.564 523 S N 0.246 115.946 115.700 0.001 0.000 2.419 523 S HA -0.051 4.419 4.470 -0.000 0.000 0.233 523 S C 1.944 176.547 174.600 0.005 0.000 1.016 523 S CA 1.068 59.274 58.200 0.011 0.000 0.974 523 S CB -0.413 62.796 63.200 0.015 0.000 0.786 523 S HN 0.711 nan 8.310 nan 0.000 0.492 524 R N 0.651 121.145 120.500 -0.010 0.000 2.100 524 R HA -0.003 4.337 4.340 -0.000 0.000 0.220 524 R C 1.642 177.926 176.300 -0.026 0.000 1.091 524 R CA 1.074 57.163 56.100 -0.019 0.000 0.986 524 R CB -0.012 30.270 30.300 -0.030 0.000 0.888 524 R HN 0.310 nan 8.270 nan 0.000 0.444 525 D N 0.189 120.566 120.400 -0.039 0.000 2.081 525 D HA -0.199 4.441 4.640 -0.000 0.000 0.194 525 D C 1.779 178.060 176.300 -0.032 0.000 0.986 525 D CA 1.237 55.203 54.000 -0.057 0.000 0.837 525 D CB -0.268 40.472 40.800 -0.099 0.000 0.985 525 D HN 0.039 nan 8.370 nan 0.000 0.448 526 R N 1.241 121.732 120.500 -0.015 0.000 2.249 526 R HA -0.131 4.209 4.340 -0.000 0.000 0.230 526 R C 1.947 178.290 176.300 0.072 0.000 1.121 526 R CA 1.249 57.372 56.100 0.038 0.000 0.997 526 R CB -0.238 30.097 30.300 0.059 0.000 0.867 526 R HN 0.254 nan 8.270 nan 0.000 0.465 527 Q N -0.320 119.510 119.800 0.049 0.000 2.062 527 Q HA -0.010 4.330 4.340 -0.000 0.000 0.196 527 Q C 2.042 178.089 176.000 0.079 0.000 0.967 527 Q CA 1.636 57.478 55.803 0.065 0.000 0.832 527 Q CB -0.003 28.757 28.738 0.037 0.000 0.899 527 Q HN 0.416 nan 8.270 nan 0.000 0.442 528 I N 0.564 121.162 120.570 0.047 0.000 2.252 528 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 528 I C 2.259 178.466 176.117 0.151 0.000 1.102 528 I CA 0.545 61.889 61.300 0.074 0.000 1.385 528 I CB -0.176 37.828 38.000 0.007 0.000 1.064 528 I HN 0.228 nan 8.210 nan 0.000 0.414 529 L N 0.814 122.061 121.223 0.039 0.000 2.129 529 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 529 L C 1.832 178.582 176.870 -0.200 0.000 1.087 529 L CA 1.982 56.751 54.840 -0.119 0.000 0.757 529 L CB -0.711 41.273 42.059 -0.124 0.000 0.896 529 L HN 0.184 nan 8.230 nan 0.000 0.434 530 D N -1.322 119.127 120.400 0.081 0.000 2.117 530 D HA -0.250 4.390 4.640 -0.000 0.000 0.198 530 D C 1.720 178.107 176.300 0.145 0.000 0.982 530 D CA 1.421 55.549 54.000 0.213 0.000 0.828 530 D CB -0.404 40.523 40.800 0.212 0.000 0.967 530 D HN 0.614 nan 8.370 nan 0.000 0.464 531 W N 1.309 122.587 121.300 -0.038 0.000 2.342 531 W HA -0.209 4.450 4.660 -0.000 0.000 0.297 531 W C 2.337 178.730 176.519 -0.210 0.000 1.213 531 W CA 1.551 58.863 57.345 -0.055 0.000 1.251 531 W CB -0.214 29.224 29.460 -0.037 0.000 1.136 531 W HN 0.128 nan 8.180 nan 0.000 0.526 532 H N -0.979 118.078 119.070 -0.022 0.000 2.387 532 H HA -0.149 4.406 4.556 -0.000 0.000 0.299 532 H C 2.009 176.833 175.328 -0.841 0.000 1.090 532 H CA 2.037 57.722 56.048 -0.605 0.000 1.332 532 H CB -0.792 28.336 29.762 -1.058 0.000 1.386 532 H HN 0.175 nan 8.280 nan 0.000 0.516 533 F N 0.946 120.702 119.950 -0.323 0.000 2.171 533 F HA -0.107 4.420 4.527 -0.000 0.000 0.300 533 F C 2.799 178.402 175.800 -0.328 0.000 1.090 533 F CA 0.756 58.620 58.000 -0.228 0.000 1.293 533 F CB -0.929 38.009 39.000 -0.103 0.000 1.013 533 F HN 0.110 nan 8.300 nan 0.000 0.486 534 A N 0.088 122.735 122.820 -0.289 0.000 1.883 534 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 534 A C 2.229 179.325 177.584 -0.815 0.000 1.186 534 A CA 1.943 53.575 52.037 -0.674 0.000 0.624 534 A CB -1.251 17.131 19.000 -1.030 0.000 0.822 534 A HN 0.475 nan 8.150 nan 0.000 0.444 535 N N -0.752 117.501 118.700 -0.744 0.000 2.091 535 N HA -0.207 4.532 4.740 -0.000 0.000 0.193 535 N C 1.682 177.210 175.510 0.031 0.000 1.021 535 N CA 1.617 54.524 53.050 -0.238 0.000 0.862 535 N CB -0.166 38.093 38.487 -0.381 0.000 1.018 535 N HN 0.345 nan 8.380 nan 0.000 0.429 536 L N 2.026 123.232 121.223 -0.029 0.000 2.093 536 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 536 L C 1.970 178.828 176.870 -0.020 0.000 1.085 536 L CA 1.551 56.430 54.840 0.065 0.000 0.755 536 L CB -0.395 41.748 42.059 0.139 0.000 0.904 536 L HN 0.174 nan 8.230 nan 0.000 0.435 537 E N -1.351 118.791 120.200 -0.097 0.000 2.150 537 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 537 E C 2.081 178.650 176.600 -0.051 0.000 0.985 537 E CA 1.226 57.548 56.400 -0.130 0.000 0.814 537 E CB -0.393 29.192 29.700 -0.191 0.000 0.752 537 E HN 0.539 nan 8.360 nan 0.000 0.466 538 F N 2.281 122.146 119.950 -0.143 0.000 2.146 538 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 538 F C 2.287 178.177 175.800 0.151 0.000 1.096 538 F CA 1.198 59.211 58.000 0.022 0.000 1.275 538 F CB -0.472 38.628 39.000 0.167 0.000 1.008 538 F HN -0.079 nan 8.300 nan 0.000 0.480 539 A N 0.487 123.113 122.820 -0.324 0.000 1.972 539 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 539 A C 1.870 179.431 177.584 -0.039 0.000 1.169 539 A CA 1.864 53.700 52.037 -0.335 0.000 0.635 539 A CB -0.832 18.150 19.000 -0.029 0.000 0.810 539 A HN 0.627 nan 8.150 nan 0.000 0.446 540 N N -0.997 117.718 118.700 0.025 0.000 2.205 540 N HA 0.289 5.029 4.740 -0.000 0.000 0.201 540 N C 0.464 175.983 175.510 0.016 0.000 1.128 540 N CA 0.667 53.786 53.050 0.116 0.000 0.867 540 N CB 0.454 38.985 38.487 0.075 0.000 0.996 540 N HN 0.516 nan 8.380 nan 0.000 0.503 541 A N 1.091 123.850 122.820 -0.101 0.000 2.640 541 A HA -0.177 4.143 4.320 -0.000 0.000 0.300 541 A C 0.294 177.707 177.584 -0.285 0.000 1.499 541 A CA 1.587 53.432 52.037 -0.319 0.000 0.759 541 A CB -1.957 16.467 19.000 -0.960 0.000 1.048 541 A HN 0.336 nan 8.150 nan 0.000 0.450 542 T N -1.800 112.592 114.554 -0.270 0.000 2.927 542 T HA 0.509 4.859 4.350 -0.000 0.000 0.350 542 T C -3.355 171.163 174.700 -0.304 0.000 1.746 542 T CA -0.540 61.342 62.100 -0.362 0.000 1.081 542 T CB 1.298 69.684 68.868 -0.804 0.000 1.551 542 T HN 0.007 nan 8.240 nan 0.000 0.489 543 P HA 0.190 nan 4.420 nan 0.000 0.262 543 P C 1.042 178.191 177.300 -0.251 0.000 1.182 543 P CA 0.109 63.080 63.100 -0.215 0.000 0.761 543 P CB 0.270 31.874 31.700 -0.161 0.000 0.795 544 L N 2.165 123.242 121.223 -0.243 0.000 2.456 544 L HA -0.138 4.202 4.340 -0.000 0.000 0.224 544 L C 1.921 178.656 176.870 -0.225 0.000 1.148 544 L CA 1.330 56.007 54.840 -0.270 0.000 0.825 544 L CB -0.906 40.971 42.059 -0.304 0.000 0.937 544 L HN 0.410 nan 8.230 nan 0.000 0.450 545 S N -1.724 113.865 115.700 -0.185 0.000 2.555 545 S HA -0.092 4.378 4.470 -0.000 0.000 0.230 545 S C 1.759 176.300 174.600 -0.098 0.000 0.978 545 S CA 0.952 59.073 58.200 -0.131 0.000 0.934 545 S CB -0.426 62.710 63.200 -0.107 0.000 0.766 545 S HN 0.601 nan 8.310 nan 0.000 0.533 546 T N -0.823 113.656 114.554 -0.126 0.000 2.999 546 T HA 0.378 4.728 4.350 -0.000 0.000 0.247 546 T C 0.512 175.207 174.700 -0.009 0.000 1.012 546 T CA -0.482 61.582 62.100 -0.061 0.000 1.048 546 T CB -0.673 68.139 68.868 -0.093 0.000 1.020 546 T HN 0.277 nan 8.240 nan 0.000 0.478 547 L N 3.271 124.422 121.223 -0.120 0.000 2.525 547 L HA 0.210 4.550 4.340 -0.000 0.000 0.278 547 L C 0.908 177.851 176.870 0.121 0.000 1.218 547 L CA -0.326 54.531 54.840 0.029 0.000 0.878 547 L CB 0.344 42.369 42.059 -0.057 0.000 1.127 547 L HN 0.245 nan 8.230 nan 0.000 0.492 548 S N 2.232 118.080 115.700 0.247 0.000 2.533 548 S HA 0.039 4.509 4.470 -0.000 0.000 0.282 548 S C 0.891 175.635 174.600 0.240 0.000 1.304 548 S CA -0.719 57.617 58.200 0.226 0.000 1.063 548 S CB 0.592 63.975 63.200 0.305 0.000 0.881 548 S HN 0.523 nan 8.310 nan 0.000 0.493 549 L N 5.919 127.215 121.223 0.122 0.000 2.005 549 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 549 L C 2.379 179.324 176.870 0.124 0.000 1.072 549 L CA 1.961 56.875 54.840 0.124 0.000 0.744 549 L CB -0.813 41.250 42.059 0.006 0.000 0.895 549 L HN 0.837 nan 8.230 nan 0.000 0.433 550 K N -1.828 118.538 120.400 -0.057 0.000 2.147 550 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 550 K C 1.386 177.755 176.600 -0.385 0.000 1.049 550 K CA 1.510 57.606 56.287 -0.318 0.000 0.936 550 K CB -0.031 32.153 32.500 -0.526 0.000 0.722 550 K HN 0.580 nan 8.250 nan 0.000 0.446 551 H N -1.720 117.438 119.070 0.146 0.000 3.170 551 H HA -0.021 4.535 4.556 -0.000 0.000 0.264 551 H C 1.423 176.816 175.328 0.109 0.000 1.113 551 H CA 0.104 56.218 56.048 0.110 0.000 1.194 551 H CB -0.059 29.777 29.762 0.123 0.000 1.553 551 H HN 0.425 nan 8.280 nan 0.000 0.538 552 W N 3.408 124.810 121.300 0.169 0.000 2.303 552 W HA -0.168 4.492 4.660 -0.000 0.000 0.287 552 W C -0.333 176.265 176.519 0.132 0.000 1.213 552 W CA 1.506 58.940 57.345 0.149 0.000 1.203 552 W CB -0.360 29.158 29.460 0.096 0.000 1.136 552 W HN 0.178 nan 8.180 nan 0.000 0.547 553 D N 0.625 120.603 120.400 -0.704 0.000 2.650 553 D HA -0.029 4.611 4.640 -0.000 0.000 0.265 553 D C 1.647 177.741 176.300 -0.343 0.000 1.339 553 D CA 0.275 53.803 54.000 -0.788 0.000 0.816 553 D CB -0.679 39.208 40.800 -1.522 0.000 1.091 553 D HN 0.272 nan 8.370 nan 0.000 0.483 554 Q N 1.335 121.057 119.800 -0.130 0.000 2.248 554 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 554 Q C 0.881 176.884 176.000 0.004 0.000 0.984 554 Q CA 2.055 57.853 55.803 -0.008 0.000 0.875 554 Q CB -0.830 27.974 28.738 0.110 0.000 0.910 554 Q HN 0.295 nan 8.270 nan 0.000 0.433 555 D N -0.118 120.253 120.400 -0.049 0.000 2.346 555 D HA -0.064 4.576 4.640 -0.000 0.000 0.248 555 D C -0.214 176.115 176.300 0.048 0.000 1.173 555 D CA 0.162 54.167 54.000 0.009 0.000 0.878 555 D CB -0.245 40.452 40.800 -0.173 0.000 0.919 555 D HN 0.274 nan 8.370 nan 0.000 0.513 556 D N -0.101 120.265 120.400 -0.056 0.000 2.336 556 D HA -0.019 4.621 4.640 -0.000 0.000 0.229 556 D C 0.622 176.826 176.300 -0.160 0.000 1.061 556 D CA 0.332 54.259 54.000 -0.122 0.000 0.875 556 D CB 0.329 41.021 40.800 -0.180 0.000 0.904 556 D HN 0.091 nan 8.370 nan 0.000 0.525 557 D N -1.083 119.144 120.400 -0.288 0.000 2.338 557 D HA 0.020 4.660 4.640 -0.000 0.000 0.208 557 D C 0.522 176.526 176.300 -0.493 0.000 0.997 557 D CA 0.289 53.986 54.000 -0.504 0.000 0.880 557 D CB 0.048 40.359 40.800 -0.815 0.000 0.980 557 D HN 0.255 nan 8.370 nan 0.000 0.509 558 F N 1.442 121.283 119.950 -0.182 0.000 2.777 558 F HA 0.206 4.732 4.527 -0.000 0.000 0.291 558 F C 0.883 176.551 175.800 -0.220 0.000 1.187 558 F CA -0.407 57.464 58.000 -0.214 0.000 1.406 558 F CB -0.453 38.250 39.000 -0.496 0.000 0.982 558 F HN -0.270 nan 8.300 nan 0.000 0.509 559 E N 1.027 121.207 120.200 -0.033 0.000 2.414 559 E HA 0.049 4.399 4.350 -0.000 0.000 0.263 559 E C -0.197 176.473 176.600 0.116 0.000 1.000 559 E CA -0.369 56.014 56.400 -0.028 0.000 0.914 559 E CB 0.577 30.298 29.700 0.036 0.000 0.948 559 E HN -0.003 nan 8.360 nan 0.000 0.444 560 F N 1.508 121.502 119.950 0.073 0.000 2.403 560 F HA 0.128 4.655 4.527 -0.000 0.000 0.320 560 F C 1.266 177.140 175.800 0.123 0.000 1.176 560 F CA -0.665 57.367 58.000 0.053 0.000 1.206 560 F CB 0.611 39.585 39.000 -0.044 0.000 1.235 560 F HN 0.363 nan 8.300 nan 0.000 0.565 561 T N -1.306 113.466 114.554 0.363 0.000 2.952 561 T HA 0.795 5.144 4.350 -0.000 0.000 0.286 561 T C -0.035 174.798 174.700 0.222 0.000 1.024 561 T CA -0.102 62.164 62.100 0.277 0.000 1.029 561 T CB 1.478 70.513 68.868 0.278 0.000 1.094 561 T HN 1.422 nan 8.240 nan 0.000 0.515 562 G N 0.926 109.837 108.800 0.185 0.000 2.612 562 G HA2 0.151 4.111 3.960 -0.000 0.000 0.686 562 G HA3 0.151 4.111 3.960 -0.000 0.000 0.686 562 G C -0.430 174.595 174.900 0.208 0.000 1.274 562 G CA -0.538 44.657 45.100 0.157 0.000 0.849 562 G HN 1.314 nan 8.290 nan 0.000 0.595 563 S N 0.439 116.243 115.700 0.172 0.000 2.580 563 S HA 0.459 4.929 4.470 -0.000 0.000 0.274 563 S C 0.513 175.293 174.600 0.301 0.000 1.329 563 S CA -0.471 57.851 58.200 0.202 0.000 1.036 563 S CB 0.639 63.918 63.200 0.131 0.000 0.919 563 S HN 0.644 nan 8.310 nan 0.000 0.515 564 H N 0.457 119.597 119.070 0.118 0.000 2.771 564 H HA 0.308 4.864 4.556 -0.000 0.000 0.364 564 H C -0.561 174.833 175.328 0.110 0.000 1.133 564 H CA -0.225 55.903 56.048 0.132 0.000 1.423 564 H CB 0.341 30.203 29.762 0.166 0.000 1.425 564 H HN 0.269 nan 8.280 nan 0.000 0.606 565 L N 0.721 122.050 121.223 0.177 0.000 2.303 565 L HA 0.356 4.696 4.340 -0.000 0.000 0.256 565 L C 0.121 177.025 176.870 0.057 0.000 1.034 565 L CA -0.562 54.336 54.840 0.098 0.000 0.832 565 L CB 2.401 44.486 42.059 0.043 0.000 1.403 565 L HN 0.760 nan 8.230 nan 0.000 0.419 566 T N -2.357 112.204 114.554 0.013 0.000 2.901 566 T HA 0.732 5.082 4.350 -0.000 0.000 0.293 566 T C -0.908 173.743 174.700 -0.082 0.000 1.084 566 T CA -0.789 61.284 62.100 -0.045 0.000 1.008 566 T CB 1.579 70.414 68.868 -0.054 0.000 1.170 566 T HN 0.192 nan 8.240 nan 0.000 0.509 567 V N 2.672 122.516 119.914 -0.118 0.000 2.368 567 V HA 0.368 4.488 4.120 -0.000 0.000 0.266 567 V C 1.652 177.793 176.094 0.079 0.000 1.045 567 V CA -0.519 61.729 62.300 -0.086 0.000 0.899 567 V CB 0.641 32.337 31.823 -0.212 0.000 1.006 567 V HN 0.970 nan 8.190 nan 0.000 0.470 568 R N 4.231 124.781 120.500 0.083 0.000 2.148 568 R HA -0.041 4.299 4.340 -0.000 0.000 0.223 568 R C 1.409 177.859 176.300 0.250 0.000 1.088 568 R CA 1.414 57.618 56.100 0.173 0.000 0.985 568 R CB 0.186 30.552 30.300 0.109 0.000 0.880 568 R HN 0.875 nan 8.270 nan 0.000 0.451 569 N N -0.484 118.309 118.700 0.155 0.000 2.273 569 N HA 0.128 4.868 4.740 -0.000 0.000 0.231 569 N C -0.545 175.028 175.510 0.105 0.000 1.134 569 N CA 0.537 53.659 53.050 0.119 0.000 0.856 569 N CB 0.826 39.359 38.487 0.077 0.000 1.068 569 N HN 0.201 nan 8.380 nan 0.000 0.510 570 G N 0.737 109.627 108.800 0.151 0.000 3.399 570 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.685 570 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.685 570 G C -0.119 174.895 174.900 0.190 0.000 0.952 570 G CA -0.390 44.799 45.100 0.148 0.000 0.793 570 G HN 0.152 nan 8.290 nan 0.000 0.492 571 Y N 2.451 122.808 120.300 0.095 0.000 2.315 571 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 571 Y C 3.078 179.013 175.900 0.058 0.000 1.154 571 Y CA 2.412 60.556 58.100 0.075 0.000 1.229 571 Y CB -0.381 38.121 38.460 0.071 0.000 0.980 571 Y HN 1.110 nan 8.280 nan 0.000 0.540 572 S N -0.766 115.069 115.700 0.226 0.000 2.423 572 S HA -0.293 4.177 4.470 -0.000 0.000 0.238 572 S C 2.317 176.980 174.600 0.105 0.000 1.028 572 S CA 1.332 59.605 58.200 0.122 0.000 1.000 572 S CB -1.900 61.352 63.200 0.086 0.000 0.797 572 S HN 0.661 nan 8.310 nan 0.000 0.487 573 C N 0.281 119.653 119.300 0.120 0.000 2.397 573 C HA 0.002 4.462 4.460 -0.000 0.000 0.286 573 C C 2.211 177.258 174.990 0.095 0.000 1.308 573 C CA 0.406 59.479 59.018 0.091 0.000 1.805 573 C CB -1.902 25.889 27.740 0.086 0.000 1.952 573 C HN 0.457 nan 8.230 nan 0.000 0.518 574 V N 2.288 122.285 119.914 0.138 0.000 2.341 574 V HA 0.031 4.151 4.120 -0.000 0.000 0.240 574 V C 0.447 176.577 176.094 0.061 0.000 1.035 574 V CA 2.014 64.388 62.300 0.123 0.000 1.033 574 V CB -1.311 30.636 31.823 0.207 0.000 0.678 574 V HN 0.291 nan 8.190 nan 0.000 0.464 575 P HA -0.096 nan 4.420 nan 0.000 0.218 575 P C 1.865 179.167 177.300 0.004 0.000 1.149 575 P CA 1.343 64.445 63.100 0.003 0.000 0.817 575 P CB -0.071 31.619 31.700 -0.017 0.000 0.785 576 V N 0.958 120.881 119.914 0.015 0.000 2.343 576 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 576 V C 2.819 178.914 176.094 0.003 0.000 1.051 576 V CA 2.281 64.585 62.300 0.007 0.000 1.036 576 V CB -1.716 30.114 31.823 0.012 0.000 0.654 576 V HN 0.116 nan 8.190 nan 0.000 0.451 577 A N -0.506 122.323 122.820 0.014 0.000 1.930 577 A HA -0.090 4.229 4.320 -0.000 0.000 0.217 577 A C 2.210 179.791 177.584 -0.005 0.000 1.175 577 A CA 1.463 53.505 52.037 0.008 0.000 0.627 577 A CB -0.423 18.591 19.000 0.023 0.000 0.815 577 A HN 0.497 nan 8.150 nan 0.000 0.443 578 L N -0.860 120.362 121.223 -0.001 0.000 2.056 578 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 578 L C 3.046 179.896 176.870 -0.035 0.000 1.078 578 L CA 0.947 55.778 54.840 -0.016 0.000 0.749 578 L CB -0.661 41.394 42.059 -0.007 0.000 0.901 578 L HN 0.441 nan 8.230 nan 0.000 0.433 579 A N -0.583 122.219 122.820 -0.030 0.000 2.093 579 A HA -0.218 4.102 4.320 -0.000 0.000 0.222 579 A C 1.325 178.885 177.584 -0.041 0.000 1.162 579 A CA 0.993 53.008 52.037 -0.038 0.000 0.655 579 A CB -0.563 18.418 19.000 -0.031 0.000 0.805 579 A HN 0.421 nan 8.150 nan 0.000 0.461 580 E N -0.301 119.876 120.200 -0.039 0.000 2.217 580 E HA 0.349 4.699 4.350 -0.000 0.000 0.279 580 E C 0.777 177.349 176.600 -0.048 0.000 1.068 580 E CA 0.560 56.937 56.400 -0.038 0.000 0.882 580 E CB -0.041 29.640 29.700 -0.032 0.000 1.039 580 E HN 0.733 nan 8.360 nan 0.000 0.418 581 G N 4.123 112.898 108.800 -0.042 0.000 2.131 581 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.223 581 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.223 581 G C -0.136 174.736 174.900 -0.047 0.000 0.990 581 G CA 0.111 45.184 45.100 -0.044 0.000 0.671 581 G HN 0.454 nan 8.290 nan 0.000 0.521 582 L N -0.184 121.010 121.223 -0.049 0.000 2.341 582 L HA 0.579 4.919 4.340 -0.000 0.000 0.267 582 L C -0.471 176.369 176.870 -0.050 0.000 1.009 582 L CA -1.168 53.639 54.840 -0.054 0.000 0.819 582 L CB 1.807 43.827 42.059 -0.065 0.000 1.323 582 L HN 0.044 nan 8.230 nan 0.000 0.425 583 D N 2.386 122.756 120.400 -0.051 0.000 2.402 583 D HA 0.394 5.034 4.640 -0.000 0.000 0.235 583 D C -0.775 175.485 176.300 -0.066 0.000 1.226 583 D CA 0.231 54.204 54.000 -0.046 0.000 0.918 583 D CB 0.175 40.956 40.800 -0.032 0.000 1.043 583 D HN 0.221 nan 8.370 nan 0.000 0.506 584 I N 3.841 124.370 120.570 -0.068 0.000 2.406 584 I HA 0.241 4.410 4.170 -0.000 0.000 0.290 584 I C 0.045 176.101 176.117 -0.102 0.000 0.999 584 I CA -0.957 60.287 61.300 -0.093 0.000 1.124 584 I CB 1.598 39.547 38.000 -0.085 0.000 1.289 584 I HN -0.086 nan 8.210 nan 0.000 0.441 585 K N 7.818 128.131 120.400 -0.145 0.000 2.300 585 K HA 0.479 4.799 4.320 -0.000 0.000 0.264 585 K C -0.525 175.963 176.600 -0.186 0.000 1.083 585 K CA -0.398 55.792 56.287 -0.162 0.000 0.958 585 K CB 0.730 33.101 32.500 -0.216 0.000 1.318 585 K HN 0.517 nan 8.250 nan 0.000 0.448 586 L N 1.755 122.891 121.223 -0.146 0.000 2.466 586 L HA 0.138 4.478 4.340 -0.000 0.000 0.257 586 L C 0.771 177.539 176.870 -0.170 0.000 1.189 586 L CA -0.333 54.417 54.840 -0.149 0.000 0.813 586 L CB 0.145 42.143 42.059 -0.102 0.000 1.118 586 L HN 0.675 nan 8.230 nan 0.000 0.471 587 N N 0.299 118.892 118.700 -0.179 0.000 2.714 587 N HA -0.150 4.590 4.740 -0.000 0.000 0.253 587 N C -0.821 174.558 175.510 -0.219 0.000 1.024 587 N CA 0.878 53.826 53.050 -0.170 0.000 0.726 587 N CB -1.388 37.041 38.487 -0.096 0.000 0.908 587 N HN 0.713 nan 8.380 nan 0.000 0.542 588 T N -0.485 113.895 114.554 -0.290 0.000 3.078 588 T HA 0.526 4.876 4.350 -0.000 0.000 0.328 588 T C 0.036 174.547 174.700 -0.316 0.000 0.987 588 T CA -0.496 61.414 62.100 -0.315 0.000 1.049 588 T CB 1.591 70.237 68.868 -0.370 0.000 1.011 588 T HN 0.384 nan 8.240 nan 0.000 0.463 589 A N 3.439 126.111 122.820 -0.247 0.000 2.316 589 A HA 0.638 4.958 4.320 -0.000 0.000 0.311 589 A C 0.507 178.017 177.584 -0.123 0.000 1.339 589 A CA -0.507 51.382 52.037 -0.248 0.000 0.960 589 A CB 0.015 18.934 19.000 -0.134 0.000 1.152 589 A HN 0.711 nan 8.150 nan 0.000 0.547 590 V N 4.172 123.999 119.914 -0.145 0.000 2.673 590 V HA 0.054 4.173 4.120 -0.000 0.000 0.303 590 V C 1.271 177.334 176.094 -0.052 0.000 1.046 590 V CA 0.539 62.783 62.300 -0.092 0.000 1.126 590 V CB 0.565 32.318 31.823 -0.118 0.000 0.934 590 V HN 1.015 nan 8.190 nan 0.000 0.487 591 R N 2.163 122.638 120.500 -0.042 0.000 2.470 591 R HA 0.271 4.611 4.340 -0.000 0.000 0.210 591 R C 0.337 176.585 176.300 -0.086 0.000 0.873 591 R CA 0.072 56.152 56.100 -0.034 0.000 1.015 591 R CB 0.844 31.150 30.300 0.009 0.000 1.348 591 R HN 0.737 nan 8.270 nan 0.000 0.650 592 Q N 0.853 120.597 119.800 -0.093 0.000 2.289 592 Q HA 0.368 4.708 4.340 -0.000 0.000 0.270 592 Q C -1.718 174.206 176.000 -0.127 0.000 1.038 592 Q CA -0.415 55.311 55.803 -0.128 0.000 0.812 592 Q CB 3.023 31.729 28.738 -0.054 0.000 1.300 592 Q HN -0.141 nan 8.270 nan 0.000 0.427 593 V N 4.055 123.842 119.914 -0.212 0.000 2.384 593 V HA 0.554 4.673 4.120 -0.000 0.000 0.287 593 V C -0.420 175.761 176.094 0.146 0.000 1.020 593 V CA -0.617 61.658 62.300 -0.040 0.000 0.850 593 V CB 1.437 33.229 31.823 -0.053 0.000 0.987 593 V HN 0.658 nan 8.190 nan 0.000 0.436 594 R N 4.498 125.086 120.500 0.147 0.000 2.437 594 R HA 0.644 4.984 4.340 -0.000 0.000 0.310 594 R C -1.545 174.861 176.300 0.176 0.000 0.955 594 R CA -0.647 55.511 56.100 0.097 0.000 0.851 594 R CB 2.037 32.354 30.300 0.027 0.000 1.161 594 R HN 0.817 nan 8.270 nan 0.000 0.446 595 Y N -1.033 119.306 120.300 0.064 0.000 2.421 595 Y HA 0.667 5.216 4.550 -0.000 0.000 0.339 595 Y C -0.556 175.372 175.900 0.048 0.000 0.996 595 Y CA -1.111 57.023 58.100 0.056 0.000 1.046 595 Y CB 1.682 40.176 38.460 0.057 0.000 1.226 595 Y HN 0.596 nan 8.280 nan 0.000 0.445 596 T N -1.341 113.251 114.554 0.063 0.000 2.841 596 T HA 0.664 5.014 4.350 -0.000 0.000 0.296 596 T C 0.933 175.680 174.700 0.078 0.000 1.166 596 T CA -0.552 61.556 62.100 0.013 0.000 1.007 596 T CB 1.422 70.287 68.868 -0.005 0.000 1.253 596 T HN 1.093 nan 8.240 nan 0.000 0.511 597 A N 1.067 123.921 122.820 0.056 0.000 2.009 597 A HA -0.084 4.236 4.320 -0.000 0.000 0.222 597 A C 2.146 179.781 177.584 0.084 0.000 1.175 597 A CA 2.545 54.624 52.037 0.070 0.000 0.651 597 A CB -1.264 17.764 19.000 0.046 0.000 0.815 597 A HN 1.475 nan 8.150 nan 0.000 0.459 598 S N -3.287 112.457 115.700 0.074 0.000 2.603 598 S HA 0.541 5.010 4.470 -0.000 0.000 0.232 598 S C 0.621 175.272 174.600 0.085 0.000 1.016 598 S CA 0.576 58.822 58.200 0.076 0.000 0.976 598 S CB 0.252 63.484 63.200 0.052 0.000 0.921 598 S HN 1.725 nan 8.310 nan 0.000 0.516 599 G N -0.132 108.725 108.800 0.095 0.000 2.324 599 G HA2 0.393 4.353 3.960 -0.000 0.000 0.293 599 G HA3 0.393 4.353 3.960 -0.000 0.000 0.293 599 G C -1.615 173.349 174.900 0.106 0.000 1.297 599 G CA -0.246 44.911 45.100 0.096 0.000 0.853 599 G HN 0.557 nan 8.290 nan 0.000 0.535 600 C N -0.086 119.273 119.300 0.099 0.000 2.712 600 C HA 0.891 5.351 4.460 -0.000 0.000 0.308 600 C C -0.403 174.640 174.990 0.089 0.000 1.201 600 C CA -0.939 58.149 59.018 0.118 0.000 1.554 600 C CB 1.190 29.018 27.740 0.147 0.000 2.117 600 C HN 0.967 nan 8.230 nan 0.000 0.480 601 E N 0.505 120.759 120.200 0.090 0.000 2.248 601 E HA 0.739 5.089 4.350 -0.000 0.000 0.267 601 E C -1.665 174.991 176.600 0.093 0.000 0.877 601 E CA -0.650 55.801 56.400 0.086 0.000 0.759 601 E CB 1.698 31.433 29.700 0.059 0.000 1.182 601 E HN 0.383 nan 8.360 nan 0.000 0.418 602 V N 3.081 123.067 119.914 0.121 0.000 2.448 602 V HA 0.422 4.542 4.120 -0.000 0.000 0.295 602 V C -0.247 175.943 176.094 0.160 0.000 1.025 602 V CA -0.795 61.568 62.300 0.105 0.000 0.859 602 V CB 1.068 32.937 31.823 0.077 0.000 0.988 602 V HN 0.650 nan 8.190 nan 0.000 0.431 603 I N 4.093 124.722 120.570 0.098 0.000 2.354 603 I HA 0.746 4.915 4.170 -0.000 0.000 0.286 603 I C 0.461 176.644 176.117 0.109 0.000 1.007 603 I CA -0.221 61.152 61.300 0.121 0.000 1.167 603 I CB 1.446 39.486 38.000 0.066 0.000 1.320 603 I HN 0.730 nan 8.210 nan 0.000 0.458 604 A N 6.100 129.033 122.820 0.189 0.000 2.288 604 A HA 0.933 5.253 4.320 -0.000 0.000 0.328 604 A C -0.271 177.422 177.584 0.182 0.000 1.123 604 A CA -0.544 51.562 52.037 0.115 0.000 0.861 604 A CB 1.705 20.724 19.000 0.032 0.000 1.272 604 A HN 0.610 nan 8.150 nan 0.000 0.490 605 V N -1.067 118.911 119.914 0.107 0.000 3.164 605 V HA 0.702 4.821 4.120 -0.000 0.000 0.313 605 V C -0.400 175.742 176.094 0.080 0.000 1.188 605 V CA -1.047 61.356 62.300 0.170 0.000 1.058 605 V CB 1.688 33.585 31.823 0.123 0.000 1.110 605 V HN 0.902 nan 8.190 nan 0.000 0.453 606 N N 0.537 119.321 118.700 0.140 0.000 2.434 606 N HA 0.363 5.103 4.740 -0.000 0.000 0.272 606 N C 1.143 176.683 175.510 0.050 0.000 1.040 606 N CA 0.417 53.506 53.050 0.064 0.000 0.956 606 N CB 1.651 40.232 38.487 0.156 0.000 1.108 606 N HN 0.952 nan 8.380 nan 0.000 0.481 607 T N 1.227 115.787 114.554 0.010 0.000 2.833 607 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 607 T C 1.542 176.289 174.700 0.078 0.000 1.054 607 T CA 1.089 63.226 62.100 0.061 0.000 1.135 607 T CB -0.089 68.809 68.868 0.050 0.000 0.869 607 T HN 0.452 nan 8.240 nan 0.000 0.466 608 R N 1.986 122.519 120.500 0.055 0.000 2.056 608 R HA 0.113 4.453 4.340 -0.000 0.000 0.227 608 R C 1.352 177.685 176.300 0.055 0.000 1.149 608 R CA 1.264 57.395 56.100 0.053 0.000 0.937 608 R CB -0.252 30.072 30.300 0.041 0.000 0.835 608 R HN 0.492 nan 8.270 nan 0.000 0.430 609 S N 0.250 115.987 115.700 0.061 0.000 2.498 609 S HA 0.130 4.600 4.470 -0.000 0.000 0.324 609 S C 0.522 175.168 174.600 0.075 0.000 1.071 609 S CA -0.675 57.561 58.200 0.060 0.000 1.113 609 S CB 1.679 64.910 63.200 0.051 0.000 0.976 609 S HN 0.337 nan 8.310 nan 0.000 0.462 610 T N 0.071 114.666 114.554 0.068 0.000 3.169 610 T HA 0.056 4.405 4.350 -0.000 0.000 0.250 610 T C 1.361 176.103 174.700 0.071 0.000 1.111 610 T CA 0.489 62.636 62.100 0.078 0.000 1.010 610 T CB -0.607 68.306 68.868 0.074 0.000 0.984 610 T HN 0.707 nan 8.240 nan 0.000 0.537 611 S N -0.233 115.501 115.700 0.057 0.000 2.503 611 S HA 0.147 4.617 4.470 -0.000 0.000 0.217 611 S C 1.120 175.744 174.600 0.039 0.000 0.999 611 S CA -0.354 57.870 58.200 0.039 0.000 0.914 611 S CB -0.327 62.887 63.200 0.023 0.000 0.782 611 S HN 0.454 nan 8.310 nan 0.000 0.520 612 Q N 2.888 122.727 119.800 0.066 0.000 2.431 612 Q HA 0.223 4.563 4.340 -0.000 0.000 0.234 612 Q C -0.800 175.272 176.000 0.121 0.000 1.203 612 Q CA 0.249 56.090 55.803 0.063 0.000 0.902 612 Q CB 0.092 28.900 28.738 0.117 0.000 1.455 612 Q HN 0.334 nan 8.270 nan 0.000 0.515 613 T N 3.078 117.626 114.554 -0.010 0.000 2.922 613 T HA 0.524 4.874 4.350 -0.000 0.000 0.285 613 T C -0.414 174.206 174.700 -0.133 0.000 1.005 613 T CA -0.019 62.113 62.100 0.053 0.000 1.061 613 T CB 0.461 69.331 68.868 0.003 0.000 1.007 613 T HN 0.270 nan 8.240 nan 0.000 0.502 614 F N 1.246 121.193 119.950 -0.004 0.000 2.578 614 F HA 0.585 5.112 4.527 -0.000 0.000 0.311 614 F C -0.327 175.429 175.800 -0.074 0.000 1.094 614 F CA -1.205 56.757 58.000 -0.062 0.000 0.923 614 F CB 1.658 40.690 39.000 0.054 0.000 1.230 614 F HN 0.174 nan 8.300 nan 0.000 0.450 615 I N 3.012 123.528 120.570 -0.090 0.000 2.466 615 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 615 I C -1.390 174.572 176.117 -0.259 0.000 1.026 615 I CA -0.884 60.377 61.300 -0.065 0.000 1.078 615 I CB 1.808 39.771 38.000 -0.061 0.000 1.249 615 I HN 0.534 nan 8.210 nan 0.000 0.429 616 Y N 4.892 125.223 120.300 0.051 0.000 2.328 616 Y HA 0.406 4.956 4.550 -0.000 0.000 0.336 616 Y C 0.267 176.177 175.900 0.016 0.000 0.960 616 Y CA -0.766 57.353 58.100 0.032 0.000 1.134 616 Y CB 1.763 40.235 38.460 0.019 0.000 1.166 616 Y HN 0.290 nan 8.280 nan 0.000 0.464 617 K N 3.412 123.885 120.400 0.121 0.000 2.164 617 K HA 0.795 5.115 4.320 -0.000 0.000 0.258 617 K C -0.634 176.006 176.600 0.068 0.000 0.951 617 K CA -0.410 55.922 56.287 0.074 0.000 0.844 617 K CB 1.798 34.319 32.500 0.035 0.000 1.099 617 K HN 0.900 nan 8.250 nan 0.000 0.435 618 C N -1.371 117.955 119.300 0.043 0.000 3.275 618 C HA 0.340 4.800 4.460 -0.000 0.000 0.340 618 C C 0.714 175.694 174.990 -0.018 0.000 1.366 618 C CA -0.832 58.187 59.018 0.002 0.000 1.227 618 C CB 0.828 28.564 27.740 -0.007 0.000 1.512 618 C HN 0.859 nan 8.230 nan 0.000 0.461 619 D N 1.061 121.403 120.400 -0.095 0.000 2.162 619 D HA 0.250 4.890 4.640 -0.000 0.000 0.203 619 D C 0.811 177.009 176.300 -0.170 0.000 0.967 619 D CA 2.006 55.916 54.000 -0.151 0.000 0.840 619 D CB 0.316 40.905 40.800 -0.353 0.000 0.972 619 D HN 1.032 nan 8.370 nan 0.000 0.482 620 A N 0.437 123.133 122.820 -0.207 0.000 2.515 620 A HA 0.526 4.846 4.320 -0.000 0.000 0.298 620 A C -1.004 176.580 177.584 0.000 0.000 1.059 620 A CA -0.601 51.410 52.037 -0.044 0.000 0.698 620 A CB 2.078 20.993 19.000 -0.142 0.000 1.289 620 A HN -0.088 nan 8.150 nan 0.000 0.404 621 V N 2.022 121.986 119.914 0.083 0.000 2.384 621 V HA 0.504 4.624 4.120 -0.000 0.000 0.287 621 V C -0.633 175.480 176.094 0.033 0.000 1.020 621 V CA -0.471 61.841 62.300 0.020 0.000 0.850 621 V CB 1.182 33.005 31.823 0.000 0.000 0.987 621 V HN 0.795 nan 8.190 nan 0.000 0.436 622 L N 6.039 127.249 121.223 -0.022 0.000 2.265 622 L HA 0.579 4.919 4.340 -0.000 0.000 0.289 622 L C -0.237 176.599 176.870 -0.058 0.000 1.033 622 L CA 0.036 54.855 54.840 -0.035 0.000 0.814 622 L CB 0.926 42.951 42.059 -0.057 0.000 1.203 622 L HN 0.853 nan 8.230 nan 0.000 0.423 623 C N 4.299 123.542 119.300 -0.096 0.000 2.246 623 C HA 0.543 5.002 4.460 -0.000 0.000 0.329 623 C C 1.426 176.503 174.990 0.146 0.000 1.221 623 C CA 0.166 59.199 59.018 0.026 0.000 1.697 623 C CB -0.550 27.211 27.740 0.035 0.000 2.312 623 C HN 0.969 nan 8.230 nan 0.000 0.509 624 T N 4.710 119.328 114.554 0.107 0.000 3.215 624 T HA 0.262 4.612 4.350 -0.000 0.000 0.271 624 T C 0.355 175.155 174.700 0.167 0.000 1.012 624 T CA -0.311 61.867 62.100 0.129 0.000 0.899 624 T CB -0.470 68.429 68.868 0.052 0.000 1.089 624 T HN 0.683 nan 8.240 nan 0.000 0.552 625 L N 2.114 123.446 121.223 0.181 0.000 2.593 625 L HA 0.191 4.531 4.340 -0.000 0.000 0.287 625 L C -1.974 174.962 176.870 0.111 0.000 1.243 625 L CA -1.468 53.454 54.840 0.138 0.000 0.890 625 L CB -0.084 42.062 42.059 0.144 0.000 1.134 625 L HN 0.109 nan 8.230 nan 0.000 0.502 626 P HA -0.089 nan 4.420 nan 0.000 0.268 626 P C 0.405 177.358 177.300 -0.579 0.000 1.208 626 P CA -0.257 62.734 63.100 -0.182 0.000 0.777 626 P CB 0.598 32.244 31.700 -0.089 0.000 0.875 627 L N 3.395 123.948 121.223 -1.117 0.000 2.056 627 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 627 L C 2.193 178.480 176.870 -0.972 0.000 1.078 627 L CA 2.489 56.628 54.840 -1.168 0.000 0.749 627 L CB -1.666 39.746 42.059 -1.077 0.000 0.901 627 L HN 0.495 nan 8.230 nan 0.000 0.433 628 G N -0.454 107.421 108.800 -1.541 0.000 2.529 628 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 628 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 628 G C 1.523 176.255 174.900 -0.280 0.000 1.177 628 G CA 1.537 46.230 45.100 -0.678 0.000 0.773 628 G HN 0.360 nan 8.290 nan 0.000 0.573 629 V N 0.986 120.759 119.914 -0.234 0.000 2.255 629 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 629 V C 2.890 178.931 176.094 -0.087 0.000 1.051 629 V CA 1.732 63.983 62.300 -0.081 0.000 1.018 629 V CB -0.567 31.257 31.823 0.001 0.000 0.641 629 V HN 0.360 nan 8.190 nan 0.000 0.445 630 L N -0.569 120.559 121.223 -0.158 0.000 2.349 630 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 630 L C 2.361 179.160 176.870 -0.117 0.000 1.130 630 L CA 1.453 56.228 54.840 -0.108 0.000 0.791 630 L CB -0.451 41.487 42.059 -0.202 0.000 0.918 630 L HN 0.359 nan 8.230 nan 0.000 0.444 631 K N -0.925 119.382 120.400 -0.155 0.000 2.356 631 K HA 0.029 4.349 4.320 -0.000 0.000 0.195 631 K C 0.627 177.189 176.600 -0.064 0.000 1.037 631 K CA -0.138 56.078 56.287 -0.119 0.000 1.014 631 K CB 0.181 32.603 32.500 -0.130 0.000 0.815 631 K HN 0.283 nan 8.250 nan 0.000 0.507 632 Q N 1.488 121.260 119.800 -0.047 0.000 2.310 632 Q HA -0.086 4.254 4.340 -0.000 0.000 0.315 632 Q C -0.619 175.372 176.000 -0.016 0.000 1.081 632 Q CA 0.898 56.687 55.803 -0.024 0.000 0.981 632 Q CB 0.502 29.232 28.738 -0.014 0.000 1.184 632 Q HN -0.062 nan 8.270 nan 0.000 0.389 633 Q N 3.677 123.468 119.800 -0.015 0.000 2.320 633 Q HA 0.411 4.751 4.340 -0.000 0.000 0.268 633 Q C -2.289 173.705 176.000 -0.010 0.000 1.023 633 Q CA -1.462 54.334 55.803 -0.011 0.000 0.744 633 Q CB 1.430 30.160 28.738 -0.013 0.000 1.246 633 Q HN 0.420 nan 8.270 nan 0.000 0.462 634 P HA 0.584 nan 4.420 nan 0.000 0.283 634 P C -2.700 174.601 177.300 0.002 0.000 1.271 634 P CA -1.860 61.239 63.100 -0.002 0.000 0.841 634 P CB 0.205 31.904 31.700 -0.001 0.000 1.122 635 P HA 0.075 nan 4.420 nan 0.000 0.265 635 P C 0.273 177.582 177.300 0.015 0.000 1.193 635 P CA 0.117 63.228 63.100 0.018 0.000 0.765 635 P CB 0.312 32.032 31.700 0.034 0.000 0.823 636 A N 3.040 125.873 122.820 0.022 0.000 1.975 636 A HA 0.104 4.423 4.320 -0.000 0.000 0.215 636 A C 0.683 178.282 177.584 0.024 0.000 1.170 636 A CA 1.121 53.181 52.037 0.037 0.000 0.656 636 A CB -0.063 18.977 19.000 0.067 0.000 0.821 636 A HN 0.422 nan 8.150 nan 0.000 0.449 637 V N 0.576 120.483 119.914 -0.011 0.000 2.540 637 V HA 0.319 4.439 4.120 -0.000 0.000 0.302 637 V C -0.518 175.471 176.094 -0.174 0.000 1.035 637 V CA -0.692 61.534 62.300 -0.123 0.000 0.873 637 V CB 1.706 33.413 31.823 -0.194 0.000 0.992 637 V HN 0.511 nan 8.190 nan 0.000 0.428 638 Q N 2.818 122.484 119.800 -0.223 0.000 2.271 638 Q HA 0.541 4.881 4.340 -0.000 0.000 0.258 638 Q C -1.731 174.105 176.000 -0.273 0.000 0.936 638 Q CA -0.477 55.244 55.803 -0.137 0.000 0.909 638 Q CB 1.556 30.257 28.738 -0.062 0.000 1.253 638 Q HN 0.623 nan 8.270 nan 0.000 0.440 639 F N 1.984 121.974 119.950 0.068 0.000 2.420 639 F HA 0.396 4.923 4.527 -0.000 0.000 0.342 639 F C -0.006 175.849 175.800 0.091 0.000 1.113 639 F CA -0.626 57.450 58.000 0.127 0.000 1.059 639 F CB 1.595 40.691 39.000 0.160 0.000 1.128 639 F HN 0.166 nan 8.300 nan 0.000 0.475 640 V N 5.787 125.848 119.914 0.246 0.000 2.385 640 V HA 0.322 4.442 4.120 -0.000 0.000 0.277 640 V C -2.164 173.738 176.094 -0.319 0.000 1.012 640 V CA -1.676 60.627 62.300 0.004 0.000 0.832 640 V CB 1.520 33.335 31.823 -0.014 0.000 1.028 640 V HN 0.505 nan 8.190 nan 0.000 0.436 641 P HA 0.399 nan 4.420 nan 0.000 0.277 641 P C -2.826 174.529 177.300 0.090 0.000 1.271 641 P CA -1.971 61.060 63.100 -0.115 0.000 0.795 641 P CB 0.124 31.744 31.700 -0.133 0.000 1.101 642 P HA 0.100 nan 4.420 nan 0.000 0.269 642 P C -0.137 177.204 177.300 0.068 0.000 1.217 642 P CA 0.201 63.366 63.100 0.108 0.000 0.783 642 P CB 0.185 31.908 31.700 0.039 0.000 0.898 643 L N 3.445 124.651 121.223 -0.029 0.000 2.416 643 L HA 0.211 4.550 4.340 -0.000 0.000 0.272 643 L C -1.520 175.191 176.870 -0.265 0.000 1.161 643 L CA -1.772 52.935 54.840 -0.223 0.000 0.845 643 L CB -0.323 41.487 42.059 -0.415 0.000 1.119 643 L HN 0.303 nan 8.230 nan 0.000 0.464 644 P HA -0.059 nan 4.420 nan 0.000 0.268 644 P C 0.066 177.085 177.300 -0.468 0.000 1.208 644 P CA -0.189 62.672 63.100 -0.398 0.000 0.777 644 P CB 0.602 31.941 31.700 -0.603 0.000 0.875 645 E N 2.953 123.020 120.200 -0.222 0.000 2.150 645 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 645 E C 1.884 178.422 176.600 -0.103 0.000 0.985 645 E CA 1.009 57.328 56.400 -0.136 0.000 0.814 645 E CB -0.906 28.775 29.700 -0.032 0.000 0.752 645 E HN 0.644 nan 8.360 nan 0.000 0.466 646 W N 1.612 122.879 121.300 -0.054 0.000 2.350 646 W HA -0.158 4.502 4.660 -0.000 0.000 0.289 646 W C 1.623 178.084 176.519 -0.095 0.000 1.215 646 W CA 1.290 58.596 57.345 -0.066 0.000 1.236 646 W CB -0.598 28.829 29.460 -0.055 0.000 1.130 646 W HN 0.152 nan 8.180 nan 0.000 0.541 647 K N 1.986 121.943 120.400 -0.738 0.000 2.137 647 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 647 K C 2.357 178.714 176.600 -0.406 0.000 1.052 647 K CA 2.584 58.438 56.287 -0.723 0.000 0.961 647 K CB -0.769 30.987 32.500 -1.240 0.000 0.741 647 K HN 0.093 nan 8.250 nan 0.000 0.452 648 T N -2.222 112.119 114.554 -0.355 0.000 3.023 648 T HA 0.042 4.391 4.350 -0.000 0.000 0.266 648 T C 1.795 176.397 174.700 -0.163 0.000 1.093 648 T CA 1.089 63.042 62.100 -0.245 0.000 1.129 648 T CB -0.212 68.537 68.868 -0.199 0.000 0.899 648 T HN 0.077 nan 8.240 nan 0.000 0.491 649 S N 1.987 117.615 115.700 -0.121 0.000 2.387 649 S HA 0.206 4.676 4.470 -0.000 0.000 0.226 649 S C 2.570 177.118 174.600 -0.087 0.000 1.026 649 S CA 0.746 58.901 58.200 -0.075 0.000 0.972 649 S CB -0.669 62.514 63.200 -0.029 0.000 0.814 649 S HN 0.750 nan 8.310 nan 0.000 0.477 650 A N 1.239 124.003 122.820 -0.092 0.000 2.015 650 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 650 A C 2.237 179.716 177.584 -0.175 0.000 1.163 650 A CA 1.152 53.120 52.037 -0.115 0.000 0.646 650 A CB -0.679 18.270 19.000 -0.085 0.000 0.806 650 A HN 0.356 nan 8.150 nan 0.000 0.448 651 V N -0.747 119.051 119.914 -0.195 0.000 2.323 651 V HA -0.256 3.863 4.120 -0.000 0.000 0.244 651 V C 2.600 178.591 176.094 -0.172 0.000 1.041 651 V CA 2.105 64.278 62.300 -0.213 0.000 1.025 651 V CB -0.903 30.781 31.823 -0.232 0.000 0.656 651 V HN 0.550 nan 8.190 nan 0.000 0.451 652 Q N 0.073 119.794 119.800 -0.132 0.000 2.045 652 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 652 Q C 2.487 178.426 176.000 -0.102 0.000 0.991 652 Q CA 2.078 57.821 55.803 -0.101 0.000 0.851 652 Q CB -0.307 28.387 28.738 -0.074 0.000 0.911 652 Q HN 0.472 nan 8.270 nan 0.000 0.418 653 R N -0.592 119.846 120.500 -0.104 0.000 2.091 653 R HA -0.061 4.279 4.340 -0.000 0.000 0.238 653 R C 0.627 176.849 176.300 -0.129 0.000 1.136 653 R CA 0.683 56.728 56.100 -0.093 0.000 0.959 653 R CB -0.276 29.974 30.300 -0.083 0.000 0.856 653 R HN 0.333 nan 8.270 nan 0.000 0.437 654 M N 0.056 119.540 119.600 -0.193 0.000 2.232 654 M HA 0.069 4.549 4.480 -0.000 0.000 0.321 654 M C 0.751 176.864 176.300 -0.312 0.000 1.101 654 M CA 0.222 55.359 55.300 -0.271 0.000 1.181 654 M CB 0.577 32.970 32.600 -0.344 0.000 1.432 654 M HN 0.079 nan 8.290 nan 0.000 0.457 655 G N 1.218 109.695 108.800 -0.538 0.000 2.348 655 G HA2 0.579 4.539 3.960 -0.000 0.000 0.312 655 G HA3 0.579 4.539 3.960 -0.000 0.000 0.312 655 G C -1.828 172.616 174.900 -0.761 0.000 1.126 655 G CA -0.307 44.135 45.100 -1.097 0.000 0.865 655 G HN 0.553 nan 8.290 nan 0.000 0.474 656 F N 2.745 122.372 119.950 -0.539 0.000 2.500 656 F HA 0.612 5.139 4.527 -0.000 0.000 0.349 656 F C 0.632 176.432 175.800 0.000 0.000 1.127 656 F CA -0.918 56.951 58.000 -0.219 0.000 0.998 656 F CB 1.247 40.153 39.000 -0.157 0.000 1.237 656 F HN 0.662 nan 8.300 nan 0.000 0.439 657 G N 3.305 111.939 108.800 -0.276 0.000 2.508 657 G HA2 0.298 4.258 3.960 -0.000 0.000 0.278 657 G HA3 0.298 4.258 3.960 -0.000 0.000 0.278 657 G C -1.193 173.421 174.900 -0.475 0.000 1.389 657 G CA -0.391 44.603 45.100 -0.176 0.000 1.050 657 G HN 0.598 nan 8.290 nan 0.000 0.522 658 N N -2.396 116.089 118.700 -0.359 0.000 2.484 658 N HA 0.598 5.338 4.740 -0.000 0.000 0.269 658 N C -1.900 173.481 175.510 -0.214 0.000 1.237 658 N CA -0.616 52.277 53.050 -0.261 0.000 0.838 658 N CB 2.096 40.521 38.487 -0.104 0.000 1.593 658 N HN 0.676 nan 8.380 nan 0.000 0.485 659 L N 1.638 122.806 121.223 -0.093 0.000 2.703 659 L HA 0.603 4.943 4.340 -0.000 0.000 0.257 659 L C -2.048 174.919 176.870 0.161 0.000 0.923 659 L CA -0.437 54.417 54.840 0.024 0.000 0.936 659 L CB 1.734 43.803 42.059 0.017 0.000 1.482 659 L HN 0.621 nan 8.230 nan 0.000 0.432 660 N N 2.984 121.785 118.700 0.169 0.000 2.262 660 N HA 0.590 5.330 4.740 -0.000 0.000 0.295 660 N C -1.455 174.125 175.510 0.118 0.000 1.161 660 N CA -0.691 52.476 53.050 0.195 0.000 0.767 660 N CB 2.848 41.403 38.487 0.113 0.000 1.499 660 N HN 0.596 nan 8.380 nan 0.000 0.476 661 K N 0.448 120.908 120.400 0.100 0.000 2.267 661 K HA 0.648 4.968 4.320 -0.000 0.000 0.246 661 K C -0.991 175.573 176.600 -0.060 0.000 0.954 661 K CA -0.802 55.489 56.287 0.007 0.000 0.824 661 K CB 2.288 34.804 32.500 0.028 0.000 1.167 661 K HN 0.137 nan 8.250 nan 0.000 0.431 662 V N 2.558 122.401 119.914 -0.119 0.000 2.444 662 V HA 0.250 4.369 4.120 -0.000 0.000 0.294 662 V C -0.581 175.408 176.094 -0.176 0.000 1.022 662 V CA -0.972 61.241 62.300 -0.146 0.000 0.850 662 V CB 1.686 33.425 31.823 -0.141 0.000 0.992 662 V HN 0.450 nan 8.190 nan 0.000 0.426 663 V N 6.838 126.621 119.914 -0.219 0.000 2.383 663 V HA 0.438 4.558 4.120 -0.000 0.000 0.275 663 V C -0.140 175.755 176.094 -0.330 0.000 1.036 663 V CA -0.333 61.803 62.300 -0.274 0.000 0.889 663 V CB 1.368 32.972 31.823 -0.366 0.000 0.985 663 V HN 0.636 nan 8.190 nan 0.000 0.459 664 L N 5.195 126.215 121.223 -0.338 0.000 2.294 664 L HA 0.491 4.830 4.340 -0.000 0.000 0.283 664 L C -0.597 175.824 176.870 -0.749 0.000 1.015 664 L CA -0.171 54.357 54.840 -0.520 0.000 0.831 664 L CB 1.399 43.233 42.059 -0.375 0.000 1.217 664 L HN 0.590 nan 8.230 nan 0.000 0.420 665 C N 3.539 122.341 119.300 -0.830 0.000 2.303 665 C HA 0.695 5.154 4.460 -0.000 0.000 0.326 665 C C -0.063 174.470 174.990 -0.763 0.000 1.285 665 C CA -0.634 57.856 59.018 -0.880 0.000 1.675 665 C CB -0.032 27.094 27.740 -1.022 0.000 2.289 665 C HN 0.461 nan 8.230 nan 0.000 0.512 666 F N 1.706 121.572 119.950 -0.141 0.000 2.631 666 F HA 0.405 4.932 4.527 -0.000 0.000 0.328 666 F C 1.280 177.165 175.800 0.142 0.000 1.067 666 F CA -1.026 57.030 58.000 0.093 0.000 0.969 666 F CB 1.058 40.221 39.000 0.271 0.000 1.332 666 F HN 0.568 nan 8.300 nan 0.000 0.490 667 D N -0.377 120.262 120.400 0.398 0.000 2.367 667 D HA 0.046 4.686 4.640 -0.000 0.000 0.207 667 D C 0.043 176.453 176.300 0.183 0.000 1.034 667 D CA 0.337 54.502 54.000 0.275 0.000 0.861 667 D CB 0.414 41.341 40.800 0.212 0.000 0.943 667 D HN 0.408 nan 8.370 nan 0.000 0.515 668 R N 0.414 121.010 120.500 0.160 0.000 2.626 668 R HA 0.422 4.761 4.340 -0.000 0.000 0.274 668 R C -0.942 175.226 176.300 -0.221 0.000 1.031 668 R CA -0.863 55.237 56.100 -0.001 0.000 0.898 668 R CB 0.832 31.120 30.300 -0.021 0.000 1.222 668 R HN -0.176 nan 8.270 nan 0.000 0.455 669 V N 2.951 122.579 119.914 -0.477 0.000 2.599 669 V HA 0.145 4.265 4.120 -0.000 0.000 0.300 669 V C 0.538 176.056 176.094 -0.960 0.000 1.034 669 V CA 0.086 61.657 62.300 -1.215 0.000 1.115 669 V CB -0.615 30.688 31.823 -0.867 0.000 0.934 669 V HN 0.845 nan 8.190 nan 0.000 0.485 670 F N 1.908 121.101 119.950 -1.263 0.000 2.936 670 F HA 0.491 5.018 4.527 -0.000 0.000 0.334 670 F C -0.317 175.078 175.800 -0.675 0.000 1.170 670 F CA -1.556 56.029 58.000 -0.693 0.000 1.104 670 F CB -0.772 37.912 39.000 -0.527 0.000 1.216 670 F HN 0.466 nan 8.300 nan 0.000 0.518 671 W N -0.079 120.835 121.300 -0.643 0.000 2.703 671 W HA 0.624 5.284 4.660 -0.000 0.000 0.359 671 W C -0.264 176.188 176.519 -0.112 0.000 1.168 671 W CA -1.507 55.503 57.345 -0.558 0.000 1.177 671 W CB 0.014 29.175 29.460 -0.497 0.000 1.434 671 W HN -0.144 nan 8.180 nan 0.000 0.618 672 D N 1.703 122.279 120.400 0.293 0.000 2.349 672 D HA 0.113 4.753 4.640 -0.000 0.000 0.266 672 D C -1.374 175.068 176.300 0.238 0.000 1.293 672 D CA -1.891 52.231 54.000 0.203 0.000 0.926 672 D CB 1.079 41.999 40.800 0.201 0.000 1.090 672 D HN 0.021 nan 8.370 nan 0.000 0.502 673 P HA -0.140 nan 4.420 nan 0.000 0.219 673 P C 1.134 178.525 177.300 0.151 0.000 1.146 673 P CA 1.023 64.200 63.100 0.129 0.000 0.808 673 P CB 0.125 31.836 31.700 0.019 0.000 0.779 674 S N -2.394 113.379 115.700 0.122 0.000 2.607 674 S HA 0.043 4.513 4.470 -0.000 0.000 0.224 674 S C 0.713 175.386 174.600 0.121 0.000 0.969 674 S CA 0.024 58.286 58.200 0.103 0.000 0.927 674 S CB -0.675 62.570 63.200 0.076 0.000 0.772 674 S HN -0.104 nan 8.310 nan 0.000 0.533 675 V N 2.156 122.172 119.914 0.170 0.000 2.459 675 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 675 V C 0.309 176.505 176.094 0.171 0.000 1.029 675 V CA -0.811 61.592 62.300 0.171 0.000 0.874 675 V CB 1.622 33.566 31.823 0.201 0.000 0.985 675 V HN 0.358 nan 8.190 nan 0.000 0.438 676 N N 3.566 122.324 118.700 0.097 0.000 2.336 676 N HA 0.226 4.966 4.740 -0.000 0.000 0.177 676 N C -0.113 175.357 175.510 -0.067 0.000 1.018 676 N CA 0.462 53.540 53.050 0.046 0.000 0.878 676 N CB 0.306 38.821 38.487 0.047 0.000 0.997 676 N HN 0.623 nan 8.380 nan 0.000 0.433 677 L N -1.619 119.528 121.223 -0.126 0.000 2.445 677 L HA 0.683 5.023 4.340 -0.000 0.000 0.262 677 L C -1.535 175.276 176.870 -0.099 0.000 0.974 677 L CA -1.338 53.285 54.840 -0.363 0.000 0.822 677 L CB 1.505 43.120 42.059 -0.740 0.000 1.339 677 L HN -0.108 nan 8.230 nan 0.000 0.409 678 F N -0.671 119.201 119.950 -0.129 0.000 2.608 678 F HA 0.935 5.462 4.527 -0.000 0.000 0.309 678 F C -0.073 175.747 175.800 0.033 0.000 1.103 678 F CA -0.766 57.219 58.000 -0.025 0.000 0.954 678 F CB 1.564 40.575 39.000 0.018 0.000 1.267 678 F HN 0.702 nan 8.300 nan 0.000 0.444 679 G N 1.233 110.204 108.800 0.284 0.000 2.434 679 G HA2 0.447 4.407 3.960 -0.000 0.000 0.330 679 G HA3 0.447 4.407 3.960 -0.000 0.000 0.330 679 G C -1.949 173.187 174.900 0.393 0.000 1.155 679 G CA -0.604 44.690 45.100 0.322 0.000 0.917 679 G HN 1.064 nan 8.290 nan 0.000 0.493 680 H N 0.478 119.790 119.070 0.404 0.000 2.495 680 H HA 0.498 5.054 4.556 -0.000 0.000 0.348 680 H C -1.303 174.257 175.328 0.387 0.000 1.113 680 H CA -0.573 55.681 56.048 0.343 0.000 1.195 680 H CB 1.996 31.991 29.762 0.388 0.000 1.521 680 H HN 0.210 nan 8.280 nan 0.000 0.509 681 V N 4.821 124.466 119.914 -0.448 0.000 2.370 681 V HA 0.339 4.459 4.120 -0.000 0.000 0.279 681 V C 1.262 177.131 176.094 -0.374 0.000 1.029 681 V CA -0.301 61.876 62.300 -0.205 0.000 0.870 681 V CB 0.976 32.723 31.823 -0.127 0.000 0.984 681 V HN 0.903 nan 8.190 nan 0.000 0.451 682 G N 3.089 111.901 108.800 0.019 0.000 2.599 682 G HA2 0.348 4.308 3.960 -0.000 0.000 0.264 682 G HA3 0.348 4.308 3.960 -0.000 0.000 0.264 682 G C 0.861 175.816 174.900 0.092 0.000 1.200 682 G CA -0.040 45.156 45.100 0.160 0.000 0.896 682 G HN 0.668 nan 8.290 nan 0.000 0.536 683 S N -0.909 114.860 115.700 0.115 0.000 2.406 683 S HA 0.056 4.526 4.470 -0.000 0.000 0.224 683 S C 1.202 175.846 174.600 0.073 0.000 1.030 683 S CA 1.132 59.380 58.200 0.080 0.000 0.958 683 S CB 0.020 63.270 63.200 0.083 0.000 0.811 683 S HN 0.818 nan 8.310 nan 0.000 0.489 684 T N -0.071 114.532 114.554 0.082 0.000 2.942 684 T HA 0.363 4.713 4.350 -0.000 0.000 0.289 684 T C 0.996 175.741 174.700 0.075 0.000 1.044 684 T CA -0.634 61.508 62.100 0.069 0.000 1.023 684 T CB 1.247 70.149 68.868 0.057 0.000 1.123 684 T HN -0.121 nan 8.240 nan 0.000 0.512 685 T N 1.621 116.214 114.554 0.066 0.000 2.665 685 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 685 T C 2.342 177.064 174.700 0.038 0.000 1.035 685 T CA 1.797 63.934 62.100 0.061 0.000 1.151 685 T CB -0.767 68.129 68.868 0.048 0.000 0.862 685 T HN 0.769 nan 8.240 nan 0.000 0.438 686 A N 1.377 124.216 122.820 0.031 0.000 2.024 686 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 686 A C 2.127 179.725 177.584 0.024 0.000 1.164 686 A CA 1.866 53.914 52.037 0.018 0.000 0.643 686 A CB -0.422 18.590 19.000 0.020 0.000 0.806 686 A HN 0.594 nan 8.150 nan 0.000 0.451 687 S N -0.923 114.806 115.700 0.048 0.000 2.651 687 S HA 0.201 4.671 4.470 -0.000 0.000 0.246 687 S C 1.111 175.763 174.600 0.087 0.000 1.039 687 S CA 0.026 58.265 58.200 0.064 0.000 1.013 687 S CB -0.086 63.166 63.200 0.087 0.000 0.861 687 S HN 0.729 nan 8.310 nan 0.000 0.485 688 R N 0.869 121.401 120.500 0.053 0.000 2.159 688 R HA 0.037 4.377 4.340 -0.000 0.000 0.237 688 R C 1.813 178.104 176.300 -0.016 0.000 1.131 688 R CA 1.598 57.728 56.100 0.051 0.000 0.982 688 R CB -0.955 29.362 30.300 0.028 0.000 0.868 688 R HN 0.401 nan 8.270 nan 0.000 0.453 689 G N 0.967 109.728 108.800 -0.066 0.000 2.683 689 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.213 689 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.213 689 G C 0.139 175.090 174.900 0.086 0.000 1.142 689 G CA -0.364 44.650 45.100 -0.143 0.000 0.793 689 G HN 0.439 nan 8.290 nan 0.000 0.534 690 E N 0.995 121.267 120.200 0.120 0.000 2.238 690 E HA 0.247 4.596 4.350 -0.000 0.000 0.264 690 E C 0.565 177.261 176.600 0.160 0.000 1.136 690 E CA -0.348 56.125 56.400 0.122 0.000 0.929 690 E CB -0.336 29.424 29.700 0.100 0.000 1.010 690 E HN 0.233 nan 8.360 nan 0.000 0.440 691 L N 4.440 125.722 121.223 0.099 0.000 4.001 691 L HA -0.305 4.035 4.340 -0.000 0.000 0.413 691 L C 0.916 177.854 176.870 0.113 0.000 1.185 691 L CA 0.248 55.078 54.840 -0.017 0.000 0.963 691 L CB -1.978 40.048 42.059 -0.054 0.000 1.976 691 L HN 0.687 nan 8.230 nan 0.000 0.939 692 F N 0.068 120.061 119.950 0.073 0.000 2.641 692 F HA 0.386 4.913 4.527 -0.000 0.000 0.298 692 F C 0.423 176.398 175.800 0.292 0.000 1.146 692 F CA 0.484 58.633 58.000 0.249 0.000 1.464 692 F CB 0.082 39.117 39.000 0.059 0.000 1.101 692 F HN 0.086 nan 8.300 nan 0.000 0.585 693 L N -0.195 120.662 121.223 -0.610 0.000 2.643 693 L HA 0.553 4.893 4.340 -0.000 0.000 0.256 693 L C -2.207 174.274 176.870 -0.648 0.000 0.931 693 L CA -1.204 53.232 54.840 -0.674 0.000 0.895 693 L CB 1.199 42.395 42.059 -1.439 0.000 1.430 693 L HN -0.069 nan 8.230 nan 0.000 0.419 694 F N 2.581 122.076 119.950 -0.760 0.000 2.532 694 F HA 0.738 5.265 4.527 -0.000 0.000 0.321 694 F C -1.153 174.167 175.800 -0.800 0.000 1.089 694 F CA -0.100 57.444 58.000 -0.761 0.000 0.926 694 F CB 2.048 40.310 39.000 -1.231 0.000 1.168 694 F HN 0.381 nan 8.300 nan 0.000 0.459 695 W N 2.035 123.092 121.300 -0.405 0.000 2.538 695 W HA 0.386 5.046 4.660 -0.000 0.000 0.322 695 W C -0.459 175.858 176.519 -0.338 0.000 1.028 695 W CA -0.968 56.182 57.345 -0.326 0.000 1.228 695 W CB 1.104 30.415 29.460 -0.248 0.000 1.356 695 W HN 0.284 nan 8.180 nan 0.000 0.452 696 N N 3.832 122.459 118.700 -0.122 0.000 2.500 696 N HA 0.322 5.062 4.740 -0.000 0.000 0.236 696 N C -0.380 175.113 175.510 -0.028 0.000 1.022 696 N CA 0.050 53.017 53.050 -0.139 0.000 0.935 696 N CB 0.586 39.023 38.487 -0.083 0.000 1.147 696 N HN 0.618 nan 8.380 nan 0.000 0.512 697 L N 2.144 123.288 121.223 -0.131 0.000 2.766 697 L HA 0.330 4.670 4.340 -0.000 0.000 0.241 697 L C -0.209 176.458 176.870 -0.338 0.000 1.080 697 L CA -0.049 54.579 54.840 -0.354 0.000 0.909 697 L CB 0.145 41.743 42.059 -0.768 0.000 1.277 697 L HN 0.402 nan 8.230 nan 0.000 0.510 698 Y N -0.749 119.626 120.300 0.125 0.000 2.618 698 Y HA 0.238 4.788 4.550 -0.000 0.000 0.326 698 Y C 1.227 177.216 175.900 0.148 0.000 1.168 698 Y CA -0.589 57.587 58.100 0.126 0.000 1.269 698 Y CB 1.198 39.731 38.460 0.122 0.000 1.388 698 Y HN -0.273 nan 8.280 nan 0.000 0.528 699 K N 0.719 121.313 120.400 0.324 0.000 2.031 699 K HA 0.064 4.384 4.320 -0.000 0.000 0.205 699 K C 0.646 177.393 176.600 0.245 0.000 1.049 699 K CA 0.833 57.256 56.287 0.226 0.000 0.939 699 K CB -0.264 32.339 32.500 0.171 0.000 0.717 699 K HN 0.724 nan 8.250 nan 0.000 0.438 700 A N 1.980 124.972 122.820 0.286 0.000 2.386 700 A HA 0.141 4.461 4.320 -0.000 0.000 0.246 700 A C -2.216 175.582 177.584 0.355 0.000 1.089 700 A CA -0.939 51.297 52.037 0.331 0.000 0.790 700 A CB -0.303 18.974 19.000 0.461 0.000 1.042 700 A HN 0.198 nan 8.150 nan 0.000 0.497 701 P HA 0.225 nan 4.420 nan 0.000 0.249 701 P C -1.052 176.513 177.300 0.443 0.000 1.737 701 P CA 0.738 64.132 63.100 0.489 0.000 1.128 701 P CB -0.529 31.383 31.700 0.354 0.000 1.942 702 I N 2.934 123.701 120.570 0.328 0.000 2.436 702 I HA 0.311 4.480 4.170 -0.000 0.000 0.289 702 I C 0.385 176.435 176.117 -0.112 0.000 1.010 702 I CA -0.907 60.424 61.300 0.051 0.000 1.098 702 I CB 2.144 40.180 38.000 0.060 0.000 1.266 702 I HN -0.026 nan 8.210 nan 0.000 0.434 703 L N 6.581 127.617 121.223 -0.312 0.000 2.325 703 L HA 0.572 4.912 4.340 -0.000 0.000 0.279 703 L C -0.729 176.051 176.870 -0.150 0.000 1.054 703 L CA -0.701 53.919 54.840 -0.367 0.000 0.804 703 L CB 1.889 43.712 42.059 -0.394 0.000 1.200 703 L HN 0.481 nan 8.230 nan 0.000 0.436 704 L N 3.179 124.347 121.223 -0.092 0.000 2.376 704 L HA 0.723 5.063 4.340 -0.000 0.000 0.275 704 L C -0.735 176.046 176.870 -0.148 0.000 0.987 704 L CA -0.335 54.454 54.840 -0.084 0.000 0.828 704 L CB 1.673 43.722 42.059 -0.017 0.000 1.249 704 L HN 0.712 nan 8.230 nan 0.000 0.409 705 A N 4.932 127.565 122.820 -0.311 0.000 2.342 705 A HA 0.722 5.042 4.320 -0.000 0.000 0.323 705 A C -1.243 176.116 177.584 -0.374 0.000 1.125 705 A CA -0.562 51.095 52.037 -0.634 0.000 0.785 705 A CB 1.461 19.802 19.000 -1.097 0.000 1.221 705 A HN 0.527 nan 8.150 nan 0.000 0.463 706 L N 1.560 122.577 121.223 -0.343 0.000 2.399 706 L HA 0.565 4.905 4.340 -0.000 0.000 0.266 706 L C -0.175 176.694 176.870 -0.001 0.000 1.114 706 L CA -0.088 54.681 54.840 -0.118 0.000 0.804 706 L CB 1.753 43.751 42.059 -0.101 0.000 1.146 706 L HN 0.415 nan 8.230 nan 0.000 0.451 707 V N 2.696 122.660 119.914 0.083 0.000 2.398 707 V HA 0.781 4.901 4.120 -0.000 0.000 0.282 707 V C 0.074 176.233 176.094 0.108 0.000 1.014 707 V CA -0.529 61.831 62.300 0.100 0.000 0.838 707 V CB 0.843 32.691 31.823 0.042 0.000 1.018 707 V HN 0.914 nan 8.190 nan 0.000 0.432 708 A N 3.324 126.196 122.820 0.085 0.000 2.637 708 A HA 1.055 5.374 4.320 -0.000 0.000 0.258 708 A C 0.812 178.347 177.584 -0.083 0.000 1.250 708 A CA -0.023 52.021 52.037 0.012 0.000 0.931 708 A CB 0.716 19.721 19.000 0.007 0.000 1.488 708 A HN 2.065 nan 8.150 nan 0.000 0.464 709 G N -0.843 107.887 108.800 -0.117 0.000 2.633 709 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.263 709 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.263 709 G C 0.522 175.365 174.900 -0.094 0.000 1.310 709 G CA 0.459 45.479 45.100 -0.134 0.000 0.914 709 G HN 0.765 nan 8.290 nan 0.000 0.569 710 E N -0.249 119.898 120.200 -0.088 0.000 2.233 710 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 710 E C 2.891 179.469 176.600 -0.037 0.000 1.004 710 E CA 1.981 58.345 56.400 -0.060 0.000 0.819 710 E CB -0.639 29.029 29.700 -0.054 0.000 0.738 710 E HN 0.877 nan 8.360 nan 0.000 0.478 711 A N 1.363 124.164 122.820 -0.033 0.000 1.873 711 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 711 A C 2.474 180.055 177.584 -0.004 0.000 1.186 711 A CA 1.898 53.929 52.037 -0.010 0.000 0.616 711 A CB -0.607 18.396 19.000 0.004 0.000 0.823 711 A HN 0.281 nan 8.150 nan 0.000 0.442 712 A N -0.311 122.505 122.820 -0.007 0.000 1.892 712 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 712 A C 2.456 180.042 177.584 0.003 0.000 1.188 712 A CA 2.248 54.288 52.037 0.006 0.000 0.631 712 A CB -1.556 17.449 19.000 0.008 0.000 0.822 712 A HN 0.827 nan 8.150 nan 0.000 0.447 713 G N -0.265 108.530 108.800 -0.007 0.000 2.442 713 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 713 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 713 G C 1.500 176.398 174.900 -0.004 0.000 1.141 713 G CA 1.214 46.311 45.100 -0.005 0.000 0.763 713 G HN 0.525 nan 8.290 nan 0.000 0.554 714 I N 0.401 120.969 120.570 -0.004 0.000 2.406 714 I HA -0.047 4.123 4.170 -0.000 0.000 0.249 714 I C 2.517 178.633 176.117 -0.002 0.000 1.122 714 I CA 0.486 61.784 61.300 -0.003 0.000 1.431 714 I CB -0.110 37.889 38.000 -0.001 0.000 1.087 714 I HN 0.072 nan 8.210 nan 0.000 0.424 715 M N 0.165 119.765 119.600 -0.001 0.000 2.460 715 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 715 M C 1.879 178.172 176.300 -0.011 0.000 1.071 715 M CA 1.336 56.635 55.300 -0.003 0.000 1.096 715 M CB -1.000 31.600 32.600 0.000 0.000 1.408 715 M HN 0.288 nan 8.290 nan 0.000 0.463 716 E N 0.085 120.277 120.200 -0.012 0.000 2.274 716 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 716 E C 0.905 177.490 176.600 -0.025 0.000 0.996 716 E CA 0.588 56.975 56.400 -0.022 0.000 0.840 716 E CB -0.083 29.606 29.700 -0.018 0.000 0.772 716 E HN 0.463 nan 8.360 nan 0.000 0.491 717 N N 0.107 118.797 118.700 -0.017 0.000 2.383 717 N HA 0.133 4.872 4.740 -0.000 0.000 0.192 717 N C -0.403 175.099 175.510 -0.014 0.000 1.141 717 N CA 0.335 53.375 53.050 -0.016 0.000 0.851 717 N CB 0.423 38.903 38.487 -0.011 0.000 0.976 717 N HN 0.066 nan 8.380 nan 0.000 0.465 718 I N -0.083 120.478 120.570 -0.015 0.000 2.509 718 I HA 0.183 4.352 4.170 -0.000 0.000 0.293 718 I C 0.262 176.369 176.117 -0.017 0.000 1.020 718 I CA -0.896 60.397 61.300 -0.011 0.000 1.088 718 I CB 1.791 39.788 38.000 -0.005 0.000 1.267 718 I HN -0.018 nan 8.210 nan 0.000 0.430 719 S N 3.377 119.069 115.700 -0.014 0.000 2.576 719 S HA 0.041 4.511 4.470 -0.000 0.000 0.272 719 S C 0.669 175.257 174.600 -0.019 0.000 1.352 719 S CA -0.288 57.901 58.200 -0.017 0.000 1.021 719 S CB 0.907 64.100 63.200 -0.011 0.000 0.887 719 S HN 0.581 nan 8.310 nan 0.000 0.542 720 D N 1.201 121.586 120.400 -0.026 0.000 2.117 720 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 720 D C 1.500 177.789 176.300 -0.020 0.000 0.987 720 D CA 1.460 55.441 54.000 -0.032 0.000 0.829 720 D CB -0.403 40.373 40.800 -0.041 0.000 0.961 720 D HN 0.663 nan 8.370 nan 0.000 0.460 721 D N 0.602 120.996 120.400 -0.010 0.000 2.088 721 D HA -0.124 4.516 4.640 -0.000 0.000 0.191 721 D C 2.385 178.689 176.300 0.007 0.000 0.992 721 D CA 0.838 54.839 54.000 0.001 0.000 0.831 721 D CB -0.357 40.446 40.800 0.005 0.000 0.973 721 D HN 0.039 nan 8.370 nan 0.000 0.447 722 V N 1.828 121.746 119.914 0.006 0.000 2.277 722 V HA -0.295 3.824 4.120 -0.000 0.000 0.255 722 V C 2.593 178.695 176.094 0.013 0.000 1.074 722 V CA 1.564 63.871 62.300 0.011 0.000 1.058 722 V CB -0.563 31.265 31.823 0.007 0.000 0.656 722 V HN 0.192 nan 8.190 nan 0.000 0.449 723 I N -0.500 120.072 120.570 0.004 0.000 2.113 723 I HA -0.209 3.961 4.170 -0.000 0.000 0.238 723 I C 2.323 178.448 176.117 0.014 0.000 1.070 723 I CA 1.532 62.833 61.300 0.002 0.000 1.332 723 I CB -0.449 37.540 38.000 -0.018 0.000 1.044 723 I HN 0.150 nan 8.210 nan 0.000 0.402 724 V N 1.147 121.067 119.914 0.010 0.000 2.469 724 V HA -0.225 3.895 4.120 -0.000 0.000 0.251 724 V C 2.485 178.615 176.094 0.061 0.000 1.064 724 V CA 1.916 64.234 62.300 0.030 0.000 1.066 724 V CB -1.751 30.079 31.823 0.012 0.000 0.667 724 V HN 0.610 nan 8.190 nan 0.000 0.461 725 G N 0.582 109.410 108.800 0.046 0.000 2.639 725 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 725 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 725 G C 1.615 176.552 174.900 0.060 0.000 1.267 725 G CA 1.017 46.148 45.100 0.050 0.000 0.801 725 G HN 0.438 nan 8.290 nan 0.000 0.592 726 R N -0.783 119.747 120.500 0.050 0.000 2.185 726 R HA -0.140 4.200 4.340 -0.000 0.000 0.247 726 R C 2.597 178.943 176.300 0.076 0.000 1.159 726 R CA 1.152 57.283 56.100 0.053 0.000 0.988 726 R CB -0.853 29.470 30.300 0.039 0.000 0.871 726 R HN 0.405 nan 8.270 nan 0.000 0.458 727 C N 0.501 119.862 119.300 0.102 0.000 2.473 727 C HA -0.035 4.425 4.460 -0.000 0.000 0.279 727 C C 2.622 177.745 174.990 0.221 0.000 1.250 727 C CA 0.563 59.694 59.018 0.187 0.000 1.713 727 C CB -0.825 27.019 27.740 0.174 0.000 2.066 727 C HN 0.420 nan 8.230 nan 0.000 0.474 728 L N 1.032 122.363 121.223 0.181 0.000 2.012 728 L HA -0.142 4.197 4.340 -0.000 0.000 0.210 728 L C 2.785 179.718 176.870 0.104 0.000 1.073 728 L CA 1.595 56.534 54.840 0.164 0.000 0.748 728 L CB -1.077 41.064 42.059 0.136 0.000 0.891 728 L HN 0.405 nan 8.230 nan 0.000 0.431 729 A N 1.070 123.939 122.820 0.082 0.000 1.941 729 A HA -0.340 3.980 4.320 -0.000 0.000 0.220 729 A C 2.155 179.779 177.584 0.067 0.000 1.407 729 A CA 2.589 54.664 52.037 0.063 0.000 0.766 729 A CB -1.245 17.791 19.000 0.060 0.000 0.838 729 A HN 0.355 nan 8.150 nan 0.000 0.482 730 I N -0.564 120.049 120.570 0.071 0.000 2.161 730 I HA -0.387 3.783 4.170 -0.000 0.000 0.246 730 I C 2.533 178.678 176.117 0.047 0.000 1.048 730 I CA 2.054 63.390 61.300 0.060 0.000 1.314 730 I CB -0.503 37.490 38.000 -0.011 0.000 1.014 730 I HN 0.416 nan 8.210 nan 0.000 0.418 731 L N 0.045 121.308 121.223 0.066 0.000 2.017 731 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 731 L C 2.600 179.557 176.870 0.144 0.000 1.073 731 L CA 1.605 56.517 54.840 0.119 0.000 0.745 731 L CB -0.519 41.664 42.059 0.206 0.000 0.894 731 L HN 0.170 nan 8.230 nan 0.000 0.432 732 K N -0.077 120.351 120.400 0.048 0.000 2.009 732 K HA -0.155 4.164 4.320 -0.000 0.000 0.210 732 K C 2.135 178.738 176.600 0.005 0.000 1.049 732 K CA 1.400 57.686 56.287 -0.002 0.000 0.929 732 K CB -0.841 31.647 32.500 -0.021 0.000 0.714 732 K HN 0.397 nan 8.250 nan 0.000 0.440 733 G N 1.426 110.233 108.800 0.012 0.000 2.661 733 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.224 733 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.224 733 G C 1.440 176.310 174.900 -0.050 0.000 1.114 733 G CA 1.506 46.609 45.100 0.006 0.000 0.751 733 G HN 0.256 nan 8.290 nan 0.000 0.609 734 I N -2.125 118.369 120.570 -0.127 0.000 3.526 734 I HA 0.274 4.444 4.170 -0.000 0.000 0.294 734 I C 1.295 177.091 176.117 -0.534 0.000 1.229 734 I CA 0.195 61.253 61.300 -0.403 0.000 1.408 734 I CB 0.362 37.863 38.000 -0.833 0.000 1.127 734 I HN 0.094 nan 8.210 nan 0.000 0.439 735 F N 0.562 120.431 119.950 -0.136 0.000 2.706 735 F HA 0.476 5.003 4.527 -0.000 0.000 0.313 735 F C 0.889 176.616 175.800 -0.123 0.000 1.096 735 F CA -0.099 57.833 58.000 -0.114 0.000 1.219 735 F CB 0.823 39.779 39.000 -0.073 0.000 1.051 735 F HN -0.056 nan 8.300 nan 0.000 0.568 736 G N 0.339 109.150 108.800 0.017 0.000 3.055 736 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 736 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 736 G C 0.440 175.303 174.900 -0.061 0.000 1.087 736 G CA -0.316 44.770 45.100 -0.024 0.000 0.779 736 G HN -0.026 nan 8.290 nan 0.000 0.599 737 S N 0.030 115.698 115.700 -0.054 0.000 2.626 737 S HA 0.165 4.635 4.470 -0.000 0.000 0.245 737 S C 1.871 176.421 174.600 -0.085 0.000 0.973 737 S CA 1.842 60.006 58.200 -0.061 0.000 0.959 737 S CB -0.340 62.838 63.200 -0.036 0.000 0.762 737 S HN 2.064 nan 8.310 nan 0.000 0.539 738 S N -2.069 113.564 115.700 -0.111 0.000 2.874 738 S HA 0.379 4.849 4.470 -0.000 0.000 0.257 738 S C 0.984 175.479 174.600 -0.174 0.000 0.975 738 S CA 0.155 58.280 58.200 -0.125 0.000 1.326 738 S CB -0.123 63.030 63.200 -0.079 0.000 1.215 738 S HN 0.309 nan 8.310 nan 0.000 0.679 739 A N 1.046 123.734 122.820 -0.220 0.000 2.206 739 A HA 0.539 4.859 4.320 -0.000 0.000 0.211 739 A C 0.647 177.807 177.584 -0.706 0.000 1.158 739 A CA 0.638 52.484 52.037 -0.318 0.000 0.761 739 A CB -0.076 18.801 19.000 -0.206 0.000 0.801 739 A HN 0.540 nan 8.150 nan 0.000 0.473 740 V N 3.095 122.583 119.914 -0.710 0.000 2.304 740 V HA 0.281 4.401 4.120 -0.000 0.000 0.278 740 V C -2.244 173.564 176.094 -0.476 0.000 1.018 740 V CA -1.590 60.115 62.300 -0.992 0.000 0.814 740 V CB 1.318 32.701 31.823 -0.733 0.000 1.021 740 V HN 0.318 nan 8.190 nan 0.000 0.440 741 P HA 0.262 nan 4.420 nan 0.000 0.276 741 P C -0.544 176.790 177.300 0.057 0.000 1.261 741 P CA -0.623 62.416 63.100 -0.103 0.000 0.800 741 P CB 0.698 32.389 31.700 -0.016 0.000 1.066 742 Q N 0.519 120.387 119.800 0.113 0.000 2.361 742 Q HA 0.170 4.510 4.340 -0.000 0.000 0.276 742 Q C -1.973 174.225 176.000 0.330 0.000 1.022 742 Q CA -1.082 54.835 55.803 0.190 0.000 0.898 742 Q CB -0.807 28.002 28.738 0.117 0.000 1.246 742 Q HN 0.328 nan 8.270 nan 0.000 0.410 743 P HA 0.139 nan 4.420 nan 0.000 0.280 743 P C 0.317 177.668 177.300 0.084 0.000 1.244 743 P CA -0.353 62.854 63.100 0.179 0.000 0.784 743 P CB 0.813 32.431 31.700 -0.136 0.000 0.913 744 K N 1.059 121.509 120.400 0.083 0.000 2.097 744 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 744 K C 0.357 177.010 176.600 0.088 0.000 1.049 744 K CA 1.508 57.871 56.287 0.126 0.000 0.933 744 K CB 0.124 32.770 32.500 0.244 0.000 0.717 744 K HN 0.533 nan 8.250 nan 0.000 0.442 745 E N 0.565 120.756 120.200 -0.015 0.000 2.291 745 E HA 0.181 4.531 4.350 -0.000 0.000 0.276 745 E C -0.981 175.499 176.600 -0.200 0.000 0.896 745 E CA -0.277 56.109 56.400 -0.022 0.000 0.774 745 E CB 2.242 32.038 29.700 0.159 0.000 1.227 745 E HN 0.154 nan 8.360 nan 0.000 0.413 746 T N -1.392 113.053 114.554 -0.181 0.000 2.900 746 T HA 0.781 5.131 4.350 -0.000 0.000 0.295 746 T C -0.398 174.135 174.700 -0.278 0.000 1.044 746 T CA -0.714 61.233 62.100 -0.255 0.000 0.995 746 T CB 1.489 70.254 68.868 -0.172 0.000 1.072 746 T HN 0.068 nan 8.240 nan 0.000 0.473 747 V N 1.889 121.588 119.914 -0.358 0.000 2.789 747 V HA 0.713 4.832 4.120 -0.000 0.000 0.311 747 V C -0.781 175.178 176.094 -0.224 0.000 1.073 747 V CA -0.864 61.247 62.300 -0.315 0.000 0.921 747 V CB 2.193 33.725 31.823 -0.484 0.000 1.009 747 V HN 0.928 nan 8.190 nan 0.000 0.426 748 V N 2.984 122.798 119.914 -0.166 0.000 2.447 748 V HA 0.427 4.547 4.120 -0.000 0.000 0.292 748 V C 0.345 176.348 176.094 -0.153 0.000 1.021 748 V CA -0.457 61.761 62.300 -0.136 0.000 0.850 748 V CB 1.996 33.755 31.823 -0.106 0.000 1.005 748 V HN 1.057 nan 8.190 nan 0.000 0.426 749 S N 5.564 121.169 115.700 -0.159 0.000 2.584 749 S HA 0.484 4.954 4.470 -0.000 0.000 0.270 749 S C 0.089 174.534 174.600 -0.258 0.000 1.346 749 S CA -0.314 57.715 58.200 -0.286 0.000 1.018 749 S CB 0.721 63.777 63.200 -0.240 0.000 0.899 749 S HN 0.716 nan 8.310 nan 0.000 0.542 750 R N 1.773 122.035 120.500 -0.396 0.000 2.754 750 R HA 0.172 4.512 4.340 -0.000 0.000 0.255 750 R C -0.485 175.699 176.300 -0.192 0.000 1.723 750 R CA -0.224 55.749 56.100 -0.212 0.000 1.596 750 R CB 0.100 30.303 30.300 -0.161 0.000 1.424 750 R HN 0.883 nan 8.270 nan 0.000 0.662 751 W N 0.258 121.549 121.300 -0.014 0.000 2.388 751 W HA -0.077 4.583 4.660 -0.000 0.000 0.294 751 W C 2.235 178.754 176.519 0.001 0.000 1.212 751 W CA 0.510 57.856 57.345 0.001 0.000 1.271 751 W CB 0.122 29.580 29.460 -0.003 0.000 1.126 751 W HN 0.287 nan 8.180 nan 0.000 0.535 752 R N 1.054 121.673 120.500 0.198 0.000 2.152 752 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 752 R C 1.999 178.336 176.300 0.061 0.000 1.117 752 R CA 1.736 57.907 56.100 0.119 0.000 0.981 752 R CB -0.728 29.611 30.300 0.066 0.000 0.870 752 R HN 0.081 nan 8.270 nan 0.000 0.451 753 A N 0.050 122.878 122.820 0.013 0.000 1.930 753 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 753 A C 0.556 178.089 177.584 -0.086 0.000 1.176 753 A CA 0.719 52.728 52.037 -0.046 0.000 0.632 753 A CB -0.505 18.451 19.000 -0.074 0.000 0.819 753 A HN 0.411 nan 8.150 nan 0.000 0.445 754 D N 0.666 121.021 120.400 -0.074 0.000 2.451 754 D HA 0.053 4.693 4.640 -0.000 0.000 0.254 754 D C -1.242 174.965 176.300 -0.156 0.000 1.204 754 D CA -1.690 52.233 54.000 -0.128 0.000 0.896 754 D CB 0.897 41.663 40.800 -0.056 0.000 1.136 754 D HN 0.167 nan 8.370 nan 0.000 0.499 755 P HA -0.103 nan 4.420 nan 0.000 0.225 755 P C 0.426 177.466 177.300 -0.433 0.000 1.148 755 P CA 0.920 63.680 63.100 -0.567 0.000 0.779 755 P CB -0.113 30.994 31.700 -0.989 0.000 0.780 756 W N -0.749 120.599 121.300 0.080 0.000 3.325 756 W HA 0.570 5.230 4.660 -0.000 0.000 0.370 756 W C 1.429 178.034 176.519 0.144 0.000 1.169 756 W CA -0.252 57.145 57.345 0.087 0.000 1.874 756 W CB 0.179 29.685 29.460 0.077 0.000 1.076 756 W HN 0.009 nan 8.180 nan 0.000 0.684 757 A N -0.161 122.848 122.820 0.315 0.000 1.703 757 A HA 0.239 4.559 4.320 -0.000 0.000 0.211 757 A C 1.476 179.266 177.584 0.343 0.000 1.773 757 A CA -0.236 52.023 52.037 0.370 0.000 1.186 757 A CB 0.248 19.583 19.000 0.559 0.000 1.117 757 A HN 0.004 nan 8.150 nan 0.000 0.501 758 R N -0.148 120.516 120.500 0.273 0.000 3.531 758 R HA -0.140 4.200 4.340 -0.000 0.000 0.280 758 R C 0.484 177.035 176.300 0.419 0.000 1.130 758 R CA 1.247 57.488 56.100 0.234 0.000 0.757 758 R CB -2.313 28.060 30.300 0.123 0.000 1.218 758 R HN 2.138 nan 8.270 nan 0.000 0.454 759 G N -2.437 106.599 108.800 0.394 0.000 2.346 759 G HA2 0.002 3.962 3.960 -0.000 0.000 0.294 759 G HA3 0.002 3.962 3.960 -0.000 0.000 0.294 759 G C 0.259 175.071 174.900 -0.146 0.000 1.294 759 G CA 0.377 45.526 45.100 0.082 0.000 0.962 759 G HN 0.364 nan 8.290 nan 0.000 0.508 760 S N -1.381 113.906 115.700 -0.689 0.000 2.620 760 S HA 0.647 5.117 4.470 -0.000 0.000 0.234 760 S C 0.506 174.822 174.600 -0.473 0.000 1.064 760 S CA 1.726 59.556 58.200 -0.617 0.000 0.920 760 S CB 0.163 62.976 63.200 -0.645 0.000 0.826 760 S HN 2.221 nan 8.310 nan 0.000 0.557 761 Y N 0.373 120.283 120.300 -0.651 0.000 2.732 761 Y HA 0.687 5.237 4.550 -0.000 0.000 0.342 761 Y C -0.509 175.287 175.900 -0.172 0.000 1.203 761 Y CA -1.231 56.734 58.100 -0.226 0.000 1.092 761 Y CB 0.257 38.662 38.460 -0.091 0.000 1.345 761 Y HN 0.224 nan 8.280 nan 0.000 0.458 762 S N 0.781 116.738 115.700 0.428 0.000 2.645 762 S HA 0.785 5.255 4.470 -0.000 0.000 0.266 762 S C -0.890 173.936 174.600 0.377 0.000 1.258 762 S CA 0.124 58.544 58.200 0.366 0.000 0.990 762 S CB 1.162 64.617 63.200 0.426 0.000 0.967 762 S HN 1.317 nan 8.310 nan 0.000 0.556 763 Y N -2.452 117.999 120.300 0.251 0.000 2.728 763 Y HA 0.698 5.247 4.550 -0.000 0.000 0.330 763 Y C -1.457 174.595 175.900 0.253 0.000 1.234 763 Y CA -1.757 56.487 58.100 0.240 0.000 1.070 763 Y CB 0.503 39.047 38.460 0.139 0.000 1.300 763 Y HN 0.396 nan 8.280 nan 0.000 0.467 764 V N 2.573 122.847 119.914 0.601 0.000 2.284 764 V HA 0.680 4.799 4.120 -0.000 0.000 0.260 764 V C 0.583 176.957 176.094 0.466 0.000 1.084 764 V CA -0.356 62.200 62.300 0.426 0.000 0.894 764 V CB -0.504 31.561 31.823 0.403 0.000 1.119 764 V HN 0.977 nan 8.190 nan 0.000 0.484 765 A N 3.985 126.988 122.820 0.305 0.000 2.425 765 A HA 0.707 5.026 4.320 -0.000 0.000 0.242 765 A C 0.921 178.645 177.584 0.233 0.000 1.077 765 A CA 0.203 52.476 52.037 0.394 0.000 0.781 765 A CB 0.372 19.488 19.000 0.193 0.000 1.020 765 A HN 1.265 nan 8.150 nan 0.000 0.494 766 A N 0.474 123.411 122.820 0.195 0.000 2.520 766 A HA 0.484 4.803 4.320 -0.000 0.000 0.245 766 A C 1.500 179.139 177.584 0.093 0.000 1.072 766 A CA 0.769 52.884 52.037 0.130 0.000 0.761 766 A CB -0.847 18.198 19.000 0.074 0.000 1.004 766 A HN 2.745 nan 8.150 nan 0.000 0.499 767 G N 1.020 109.877 108.800 0.095 0.000 2.157 767 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.239 767 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.239 767 G C 0.455 175.378 174.900 0.039 0.000 0.982 767 G CA 0.570 45.705 45.100 0.058 0.000 0.650 767 G HN 1.435 nan 8.290 nan 0.000 0.527 768 S N -0.956 114.775 115.700 0.051 0.000 2.786 768 S HA 0.945 5.415 4.470 -0.000 0.000 0.307 768 S C 0.373 174.941 174.600 -0.053 0.000 1.121 768 S CA 0.954 59.148 58.200 -0.011 0.000 0.975 768 S CB 1.796 64.980 63.200 -0.027 0.000 1.220 768 S HN 1.851 nan 8.310 nan 0.000 0.550 769 S N -0.879 114.741 115.700 -0.134 0.000 2.727 769 S HA 0.537 5.007 4.470 -0.000 0.000 0.278 769 S C 0.853 175.405 174.600 -0.080 0.000 1.186 769 S CA -0.167 57.827 58.200 -0.344 0.000 0.836 769 S CB 0.575 63.436 63.200 -0.564 0.000 1.186 769 S HN 0.946 nan 8.310 nan 0.000 0.499 770 G N 0.734 109.487 108.800 -0.077 0.000 2.509 770 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 770 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 770 G C 1.110 176.106 174.900 0.160 0.000 1.124 770 G CA 0.726 45.914 45.100 0.148 0.000 0.776 770 G HN 0.787 nan 8.290 nan 0.000 0.547 771 N N 0.882 119.592 118.700 0.017 0.000 2.120 771 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 771 N C 1.425 176.944 175.510 0.016 0.000 1.024 771 N CA 1.279 54.335 53.050 0.009 0.000 0.852 771 N CB -0.138 38.329 38.487 -0.033 0.000 1.003 771 N HN 0.075 nan 8.380 nan 0.000 0.424 772 D N 0.136 120.516 120.400 -0.034 0.000 2.172 772 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 772 D C 1.468 177.693 176.300 -0.124 0.000 0.999 772 D CA 1.065 55.002 54.000 -0.106 0.000 0.856 772 D CB -0.531 40.142 40.800 -0.211 0.000 0.934 772 D HN 0.452 nan 8.370 nan 0.000 0.453 773 Y N 0.832 121.114 120.300 -0.031 0.000 2.333 773 Y HA -0.136 4.414 4.550 -0.000 0.000 0.290 773 Y C 2.107 177.993 175.900 -0.024 0.000 1.144 773 Y CA 0.966 59.050 58.100 -0.027 0.000 1.228 773 Y CB -0.026 38.411 38.460 -0.037 0.000 0.985 773 Y HN -0.061 nan 8.280 nan 0.000 0.542 774 D N -0.675 119.795 120.400 0.117 0.000 2.162 774 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 774 D C 2.279 178.612 176.300 0.055 0.000 0.964 774 D CA 0.609 54.649 54.000 0.068 0.000 0.847 774 D CB -0.324 40.497 40.800 0.036 0.000 0.988 774 D HN 0.231 nan 8.370 nan 0.000 0.480 775 L N 0.326 121.579 121.223 0.049 0.000 1.997 775 L HA -0.227 4.112 4.340 -0.000 0.000 0.216 775 L C 2.379 179.319 176.870 0.118 0.000 1.074 775 L CA 0.952 55.861 54.840 0.114 0.000 0.763 775 L CB -0.455 41.675 42.059 0.118 0.000 0.890 775 L HN 0.093 nan 8.230 nan 0.000 0.434 776 M N -0.675 118.926 119.600 0.003 0.000 2.260 776 M HA -0.207 4.272 4.480 -0.000 0.000 0.261 776 M C 2.293 178.564 176.300 -0.048 0.000 1.066 776 M CA 2.002 57.246 55.300 -0.095 0.000 1.082 776 M CB -1.427 31.139 32.600 -0.057 0.000 1.388 776 M HN 0.348 nan 8.290 nan 0.000 0.419 777 A N -1.421 121.440 122.820 0.070 0.000 2.081 777 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 777 A C 1.070 178.789 177.584 0.224 0.000 1.158 777 A CA 0.042 52.164 52.037 0.142 0.000 0.724 777 A CB -0.159 18.903 19.000 0.103 0.000 0.826 777 A HN 0.319 nan 8.150 nan 0.000 0.463 778 Q N 1.352 121.276 119.800 0.206 0.000 2.264 778 Q HA 0.118 4.458 4.340 -0.000 0.000 0.296 778 Q C -2.265 173.939 176.000 0.340 0.000 1.103 778 Q CA -1.737 54.206 55.803 0.232 0.000 0.967 778 Q CB 0.290 29.142 28.738 0.191 0.000 1.090 778 Q HN 0.403 nan 8.270 nan 0.000 0.379 779 P HA 0.197 nan 4.420 nan 0.000 0.274 779 P C -0.469 176.824 177.300 -0.012 0.000 1.246 779 P CA -0.336 62.752 63.100 -0.020 0.000 0.795 779 P CB 0.947 32.457 31.700 -0.316 0.000 1.006 780 I N 0.559 121.001 120.570 -0.214 0.000 2.377 780 I HA 0.273 4.443 4.170 -0.000 0.000 0.293 780 I C 0.499 176.532 176.117 -0.140 0.000 0.987 780 I CA -0.264 60.963 61.300 -0.120 0.000 1.185 780 I CB 0.923 38.781 38.000 -0.236 0.000 1.341 780 I HN 0.171 nan 8.210 nan 0.000 0.455 781 T N 7.558 122.125 114.554 0.022 0.000 2.772 781 T HA 0.415 4.765 4.350 -0.000 0.000 0.288 781 T C -2.083 172.703 174.700 0.143 0.000 0.994 781 T CA -1.015 61.119 62.100 0.056 0.000 0.951 781 T CB 1.517 70.412 68.868 0.046 0.000 0.933 781 T HN 0.444 nan 8.240 nan 0.000 0.447 782 P HA 0.255 nan 4.420 nan 0.000 0.271 782 P C 0.637 177.999 177.300 0.102 0.000 1.244 782 P CA -0.343 62.876 63.100 0.197 0.000 0.793 782 P CB 0.427 32.237 31.700 0.183 0.000 0.984 783 G N 0.554 109.390 108.800 0.061 0.000 2.631 783 G HA2 0.395 4.355 3.960 -0.000 0.000 0.271 783 G HA3 0.395 4.355 3.960 -0.000 0.000 0.271 783 G C -2.399 172.521 174.900 0.033 0.000 1.302 783 G CA -0.802 44.322 45.100 0.040 0.000 1.002 783 G HN 0.417 nan 8.290 nan 0.000 0.519 784 P HA 0.357 nan 4.420 nan 0.000 0.284 784 P C 0.471 177.779 177.300 0.013 0.000 1.258 784 P CA -0.536 62.576 63.100 0.021 0.000 0.824 784 P CB 2.003 33.714 31.700 0.018 0.000 1.038 785 S N 0.986 116.694 115.700 0.014 0.000 2.412 785 S HA -0.015 4.455 4.470 -0.000 0.000 0.199 785 S C 0.787 175.391 174.600 0.006 0.000 1.099 785 S CA 0.746 58.952 58.200 0.008 0.000 1.243 785 S CB -0.833 62.374 63.200 0.012 0.000 0.996 785 S HN 0.440 nan 8.310 nan 0.000 0.402 786 I N 3.857 124.432 120.570 0.007 0.000 2.578 786 I HA 0.158 4.328 4.170 -0.000 0.000 0.286 786 I C -2.260 173.861 176.117 0.007 0.000 1.126 786 I CA -1.591 59.713 61.300 0.006 0.000 1.380 786 I CB -0.596 37.408 38.000 0.007 0.000 1.408 786 I HN 0.122 nan 8.210 nan 0.000 0.532 787 P HA 0.099 nan 4.420 nan 0.000 0.267 787 P C 0.965 178.269 177.300 0.006 0.000 1.200 787 P CA 0.300 63.404 63.100 0.006 0.000 0.772 787 P CB 0.739 32.442 31.700 0.005 0.000 0.855 788 G N 0.436 109.240 108.800 0.007 0.000 2.148 788 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.254 788 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.254 788 G C 0.391 175.294 174.900 0.006 0.000 0.981 788 G CA 0.158 45.261 45.100 0.006 0.000 0.670 788 G HN 0.895 nan 8.290 nan 0.000 0.528 789 A N 0.396 123.221 122.820 0.008 0.000 2.271 789 A HA 0.828 5.148 4.320 -0.000 0.000 0.288 789 A C -0.915 176.675 177.584 0.010 0.000 1.094 789 A CA -0.662 51.381 52.037 0.009 0.000 0.828 789 A CB 0.414 19.421 19.000 0.011 0.000 1.091 789 A HN 0.360 nan 8.150 nan 0.000 0.493 790 P HA 0.135 nan 4.420 nan 0.000 0.271 790 P C -0.605 176.702 177.300 0.012 0.000 1.218 790 P CA -0.234 62.870 63.100 0.008 0.000 0.780 790 P CB 0.336 32.039 31.700 0.005 0.000 0.901 791 Q N 3.584 123.390 119.800 0.010 0.000 2.339 791 Q HA 0.053 4.393 4.340 -0.000 0.000 0.308 791 Q C -1.839 174.170 176.000 0.016 0.000 1.097 791 Q CA -0.608 55.203 55.803 0.014 0.000 1.007 791 Q CB -0.395 28.348 28.738 0.009 0.000 1.051 791 Q HN 0.295 nan 8.270 nan 0.000 0.381 792 P HA 0.176 nan 4.420 nan 0.000 0.278 792 P C -0.706 176.610 177.300 0.027 0.000 1.238 792 P CA -0.582 62.538 63.100 0.034 0.000 0.794 792 P CB 0.447 32.181 31.700 0.057 0.000 0.955 793 I N 1.350 121.928 120.570 0.013 0.000 3.331 793 I HA -0.180 3.990 4.170 -0.000 0.000 0.355 793 I C -2.097 174.054 176.117 0.056 0.000 1.130 793 I CA 0.202 61.504 61.300 0.004 0.000 1.538 793 I CB -1.513 36.496 38.000 0.015 0.000 1.241 793 I HN 0.314 nan 8.210 nan 0.000 0.494 794 P HA 0.346 nan 4.420 nan 0.000 0.284 794 P C -0.032 177.289 177.300 0.035 0.000 1.253 794 P CA -0.530 62.556 63.100 -0.024 0.000 0.800 794 P CB 1.230 32.865 31.700 -0.109 0.000 0.961 795 R N 1.251 121.680 120.500 -0.117 0.000 2.257 795 R HA 0.274 4.614 4.340 -0.000 0.000 0.195 795 R C -0.078 176.132 176.300 -0.151 0.000 0.921 795 R CA 0.150 56.288 56.100 0.064 0.000 1.069 795 R CB -0.227 30.165 30.300 0.154 0.000 1.115 795 R HN 0.333 nan 8.270 nan 0.000 0.571 796 L N 1.344 122.214 121.223 -0.587 0.000 2.319 796 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 796 L C -1.378 174.938 176.870 -0.923 0.000 1.005 796 L CA -0.547 53.912 54.840 -0.636 0.000 0.828 796 L CB 0.859 42.438 42.059 -0.800 0.000 1.227 796 L HN -0.189 nan 8.230 nan 0.000 0.415 797 F N 4.582 124.218 119.950 -0.524 0.000 2.546 797 F HA 0.630 5.157 4.527 -0.000 0.000 0.320 797 F C -0.620 174.786 175.800 -0.657 0.000 1.076 797 F CA -0.403 57.340 58.000 -0.427 0.000 0.928 797 F CB 1.762 40.668 39.000 -0.156 0.000 1.189 797 F HN 0.209 nan 8.300 nan 0.000 0.465 798 F N 1.417 121.461 119.950 0.155 0.000 2.507 798 F HA 0.781 5.308 4.527 -0.000 0.000 0.325 798 F C 0.115 175.928 175.800 0.022 0.000 1.116 798 F CA -0.690 57.348 58.000 0.064 0.000 0.930 798 F CB 1.728 40.740 39.000 0.019 0.000 1.146 798 F HN 0.593 nan 8.300 nan 0.000 0.447 799 A N 1.795 124.712 122.820 0.162 0.000 2.530 799 A HA 1.007 5.326 4.320 -0.000 0.000 0.288 799 A C -0.307 177.230 177.584 -0.079 0.000 1.172 799 A CA -0.511 51.539 52.037 0.021 0.000 0.733 799 A CB 1.656 20.656 19.000 0.000 0.000 1.320 799 A HN 1.567 nan 8.150 nan 0.000 0.419 800 G N -0.555 108.157 108.800 -0.147 0.000 2.528 800 G HA2 0.309 4.269 3.960 -0.000 0.000 0.681 800 G HA3 0.309 4.269 3.960 -0.000 0.000 0.681 800 G C 0.325 175.076 174.900 -0.249 0.000 1.340 800 G CA 0.499 45.492 45.100 -0.178 0.000 0.855 800 G HN 1.347 nan 8.290 nan 0.000 0.649 801 E N 0.728 120.892 120.200 -0.061 0.000 2.277 801 E HA -0.353 3.996 4.350 -0.000 0.000 0.216 801 E C 1.658 178.308 176.600 0.084 0.000 1.068 801 E CA 2.541 58.948 56.400 0.012 0.000 0.866 801 E CB -0.387 29.366 29.700 0.088 0.000 0.749 801 E HN 0.961 nan 8.360 nan 0.000 0.465 802 H N -0.587 118.568 119.070 0.142 0.000 2.543 802 H HA 0.130 4.686 4.556 -0.000 0.000 0.269 802 H C 1.173 176.651 175.328 0.250 0.000 1.005 802 H CA 1.281 57.457 56.048 0.214 0.000 1.146 802 H CB -0.417 29.377 29.762 0.053 0.000 1.353 802 H HN 0.258 nan 8.280 nan 0.000 0.595 803 T N -1.976 112.519 114.554 -0.099 0.000 3.040 803 T HA 0.261 4.611 4.350 -0.000 0.000 0.266 803 T C 0.566 175.291 174.700 0.041 0.000 1.005 803 T CA -0.394 61.682 62.100 -0.040 0.000 0.906 803 T CB -0.063 68.717 68.868 -0.147 0.000 1.082 803 T HN 0.258 nan 8.240 nan 0.000 0.531 804 I N 2.161 122.744 120.570 0.021 0.000 2.428 804 I HA 0.442 4.611 4.170 -0.000 0.000 0.279 804 I C 1.396 177.414 176.117 -0.165 0.000 1.040 804 I CA -1.244 60.033 61.300 -0.038 0.000 1.171 804 I CB 0.925 38.906 38.000 -0.030 0.000 1.312 804 I HN -0.019 nan 8.210 nan 0.000 0.470 805 R N 4.084 124.487 120.500 -0.162 0.000 2.133 805 R HA -0.192 4.147 4.340 -0.000 0.000 0.247 805 R C 0.703 176.709 176.300 -0.490 0.000 1.151 805 R CA 2.050 57.959 56.100 -0.319 0.000 0.971 805 R CB 0.092 30.309 30.300 -0.139 0.000 0.866 805 R HN 0.634 nan 8.270 nan 0.000 0.447 806 N N -1.133 117.271 118.700 -0.495 0.000 2.280 806 N HA -0.002 4.738 4.740 -0.000 0.000 0.192 806 N C -0.584 174.297 175.510 -1.048 0.000 1.109 806 N CA 0.573 53.057 53.050 -0.943 0.000 0.855 806 N CB 0.690 38.369 38.487 -1.348 0.000 0.974 806 N HN 0.298 nan 8.380 nan 0.000 0.482 807 Y N -0.877 119.209 120.300 -0.356 0.000 2.810 807 Y HA 0.354 4.904 4.550 -0.000 0.000 0.255 807 Y C -2.439 173.300 175.900 -0.268 0.000 0.979 807 Y CA -1.816 56.139 58.100 -0.242 0.000 1.106 807 Y CB 0.752 39.147 38.460 -0.108 0.000 1.209 807 Y HN -0.123 nan 8.280 nan 0.000 0.646 808 P HA -0.038 nan 4.420 nan 0.000 0.269 808 P C 0.612 177.842 177.300 -0.117 0.000 1.205 808 P CA 1.271 64.249 63.100 -0.204 0.000 0.780 808 P CB 0.722 32.211 31.700 -0.352 0.000 0.858 809 A N -0.107 122.704 122.820 -0.015 0.000 2.665 809 A HA -0.134 4.186 4.320 -0.000 0.000 0.301 809 A C 0.573 177.973 177.584 -0.307 0.000 1.509 809 A CA 1.601 53.594 52.037 -0.074 0.000 0.789 809 A CB -2.618 16.381 19.000 -0.002 0.000 1.024 809 A HN 0.718 nan 8.150 nan 0.000 0.460 810 T N -5.765 108.612 114.554 -0.295 0.000 2.841 810 T HA 0.627 4.977 4.350 -0.000 0.000 0.296 810 T C 0.806 175.291 174.700 -0.358 0.000 1.166 810 T CA -0.143 61.706 62.100 -0.419 0.000 1.007 810 T CB 1.466 69.892 68.868 -0.736 0.000 1.253 810 T HN 0.727 nan 8.240 nan 0.000 0.511 811 V N 1.743 121.488 119.914 -0.282 0.000 2.270 811 V HA -0.175 3.944 4.120 -0.000 0.000 0.245 811 V C 2.769 178.776 176.094 -0.145 0.000 1.043 811 V CA 2.283 64.471 62.300 -0.187 0.000 1.014 811 V CB -1.220 30.515 31.823 -0.147 0.000 0.645 811 V HN 1.064 nan 8.190 nan 0.000 0.447 812 H N -0.157 118.933 119.070 0.033 0.000 2.456 812 H HA -0.064 4.492 4.556 -0.000 0.000 0.296 812 H C 2.274 177.565 175.328 -0.062 0.000 1.079 812 H CA 1.615 57.678 56.048 0.025 0.000 1.322 812 H CB -0.739 29.118 29.762 0.159 0.000 1.388 812 H HN 0.415 nan 8.280 nan 0.000 0.538 813 G N 1.067 109.627 108.800 -0.400 0.000 2.404 813 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 813 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 813 G C 2.037 176.852 174.900 -0.142 0.000 1.174 813 G CA 1.511 46.489 45.100 -0.203 0.000 0.780 813 G HN 0.632 nan 8.290 nan 0.000 0.537 814 A N 1.198 123.932 122.820 -0.145 0.000 1.841 814 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 814 A C 2.375 179.900 177.584 -0.099 0.000 1.199 814 A CA 1.724 53.698 52.037 -0.105 0.000 0.621 814 A CB -0.831 18.114 19.000 -0.092 0.000 0.835 814 A HN 0.414 nan 8.150 nan 0.000 0.445 815 L N 0.123 121.290 121.223 -0.094 0.000 2.054 815 L HA -0.238 4.102 4.340 -0.000 0.000 0.220 815 L C 2.321 179.113 176.870 -0.130 0.000 1.081 815 L CA 2.370 57.158 54.840 -0.087 0.000 0.780 815 L CB -1.337 40.691 42.059 -0.051 0.000 0.893 815 L HN 0.499 nan 8.230 nan 0.000 0.438 816 L N -0.068 121.063 121.223 -0.153 0.000 2.046 816 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 816 L C 2.770 179.554 176.870 -0.143 0.000 1.077 816 L CA 1.576 56.299 54.840 -0.195 0.000 0.747 816 L CB -0.609 41.301 42.059 -0.249 0.000 0.896 816 L HN 0.499 nan 8.230 nan 0.000 0.432 817 S N -0.379 115.256 115.700 -0.109 0.000 2.402 817 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 817 S C 2.049 176.609 174.600 -0.067 0.000 1.021 817 S CA 0.866 59.021 58.200 -0.076 0.000 0.974 817 S CB -0.928 62.228 63.200 -0.074 0.000 0.800 817 S HN 0.434 nan 8.310 nan 0.000 0.484 818 G N 2.619 111.370 108.800 -0.082 0.000 2.453 818 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.215 818 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.215 818 G C 1.454 176.296 174.900 -0.097 0.000 1.201 818 G CA 0.997 46.047 45.100 -0.083 0.000 0.784 818 G HN 0.490 nan 8.290 nan 0.000 0.545 819 L N 0.064 121.215 121.223 -0.120 0.000 2.051 819 L HA -0.186 4.154 4.340 -0.000 0.000 0.214 819 L C 2.943 179.772 176.870 -0.069 0.000 1.076 819 L CA 1.786 56.551 54.840 -0.124 0.000 0.758 819 L CB -0.585 41.355 42.059 -0.198 0.000 0.890 819 L HN 0.253 nan 8.230 nan 0.000 0.433 820 R N 0.254 120.719 120.500 -0.058 0.000 2.088 820 R HA -0.189 4.151 4.340 -0.000 0.000 0.232 820 R C 2.296 178.609 176.300 0.021 0.000 1.136 820 R CA 1.744 57.839 56.100 -0.008 0.000 0.926 820 R CB -0.086 30.205 30.300 -0.016 0.000 0.837 820 R HN 0.273 nan 8.270 nan 0.000 0.429 821 E N 0.329 120.527 120.200 -0.003 0.000 2.110 821 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 821 E C 1.881 178.436 176.600 -0.075 0.000 0.988 821 E CA 1.240 57.633 56.400 -0.012 0.000 0.804 821 E CB -0.378 29.319 29.700 -0.004 0.000 0.745 821 E HN 0.484 nan 8.360 nan 0.000 0.458 822 A N 1.195 123.960 122.820 -0.091 0.000 1.873 822 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 822 A C 2.540 180.129 177.584 0.008 0.000 1.193 822 A CA 2.288 54.250 52.037 -0.125 0.000 0.629 822 A CB -1.340 17.516 19.000 -0.239 0.000 0.826 822 A HN 0.353 nan 8.150 nan 0.000 0.447 823 G N -0.400 108.448 108.800 0.080 0.000 2.513 823 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.219 823 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.219 823 G C 1.743 176.722 174.900 0.130 0.000 1.160 823 G CA 1.522 46.717 45.100 0.158 0.000 0.767 823 G HN 0.666 nan 8.290 nan 0.000 0.571 824 R N -0.002 120.556 120.500 0.097 0.000 2.092 824 R HA 0.131 4.471 4.340 -0.000 0.000 0.231 824 R C 2.476 178.777 176.300 0.001 0.000 1.119 824 R CA 1.078 57.231 56.100 0.089 0.000 0.970 824 R CB -0.392 29.974 30.300 0.110 0.000 0.864 824 R HN 0.401 nan 8.270 nan 0.000 0.440 825 I N 0.960 121.448 120.570 -0.138 0.000 2.202 825 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 825 I C 2.517 178.691 176.117 0.094 0.000 1.091 825 I CA 1.357 62.549 61.300 -0.180 0.000 1.368 825 I CB -0.350 37.400 38.000 -0.416 0.000 1.058 825 I HN 0.367 nan 8.210 nan 0.000 0.410 826 A N 0.588 123.479 122.820 0.119 0.000 1.859 826 A HA -0.320 3.999 4.320 -0.000 0.000 0.217 826 A C 1.981 179.620 177.584 0.092 0.000 1.198 826 A CA 2.430 54.575 52.037 0.181 0.000 0.629 826 A CB -0.987 18.209 19.000 0.327 0.000 0.830 826 A HN 0.389 nan 8.150 nan 0.000 0.446 827 D N -1.132 119.302 120.400 0.057 0.000 2.200 827 D HA -0.238 4.402 4.640 -0.000 0.000 0.192 827 D C 1.998 178.265 176.300 -0.055 0.000 1.008 827 D CA 2.047 56.047 54.000 -0.000 0.000 0.872 827 D CB -0.326 40.501 40.800 0.044 0.000 0.923 827 D HN 0.647 nan 8.370 nan 0.000 0.447 828 Q N -1.113 118.648 119.800 -0.065 0.000 2.083 828 Q HA -0.009 4.330 4.340 -0.000 0.000 0.198 828 Q C 1.383 177.121 176.000 -0.436 0.000 0.969 828 Q CA 1.230 56.869 55.803 -0.275 0.000 0.838 828 Q CB -0.138 28.392 28.738 -0.346 0.000 0.900 828 Q HN 0.318 nan 8.270 nan 0.000 0.436 829 F N -1.582 118.369 119.950 0.001 0.000 2.724 829 F HA 0.298 4.824 4.527 -0.000 0.000 0.306 829 F C 0.991 176.792 175.800 0.002 0.000 1.100 829 F CA 0.045 58.050 58.000 0.007 0.000 1.255 829 F CB 0.722 39.724 39.000 0.004 0.000 1.072 829 F HN -0.031 nan 8.300 nan 0.000 0.589 830 L N -0.807 120.488 121.223 0.119 0.000 2.858 830 L HA 0.481 4.821 4.340 -0.000 0.000 0.251 830 L C 0.855 177.720 176.870 -0.008 0.000 1.149 830 L CA 0.079 54.955 54.840 0.060 0.000 0.955 830 L CB -0.236 41.859 42.059 0.060 0.000 1.289 830 L HN 0.112 nan 8.230 nan 0.000 0.542 831 G N 1.335 110.109 108.800 -0.043 0.000 2.825 831 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.684 831 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.684 831 G C -0.250 174.564 174.900 -0.144 0.000 1.528 831 G CA -0.275 44.767 45.100 -0.097 0.000 0.963 831 G HN 0.402 nan 8.290 nan 0.000 0.577 832 A N 2.220 124.892 122.820 -0.246 0.000 2.412 832 A HA 0.626 4.946 4.320 -0.000 0.000 0.334 832 A C 1.377 178.690 177.584 -0.452 0.000 1.419 832 A CA 0.049 51.795 52.037 -0.485 0.000 0.930 832 A CB 0.262 18.801 19.000 -0.769 0.000 1.149 832 A HN 0.783 nan 8.150 nan 0.000 0.515 833 M N 1.357 120.804 119.600 -0.256 0.000 2.460 833 M HA -0.082 4.397 4.480 -0.000 0.000 0.263 833 M C 1.449 177.671 176.300 -0.129 0.000 1.071 833 M CA 1.517 56.733 55.300 -0.140 0.000 1.096 833 M CB -1.443 31.136 32.600 -0.036 0.000 1.408 833 M HN 0.985 nan 8.290 nan 0.000 0.463 834 Y N 0.230 120.458 120.300 -0.120 0.000 2.546 834 Y HA 0.151 4.701 4.550 -0.000 0.000 0.287 834 Y C 1.878 177.623 175.900 -0.259 0.000 1.158 834 Y CA 0.810 58.816 58.100 -0.157 0.000 1.307 834 Y CB -1.333 37.045 38.460 -0.136 0.000 1.036 834 Y HN 0.252 nan 8.280 nan 0.000 0.532 835 T N -2.213 112.077 114.554 -0.440 0.000 3.144 835 T HA 0.250 4.600 4.350 -0.000 0.000 0.249 835 T C 0.290 174.843 174.700 -0.244 0.000 1.089 835 T CA -0.176 61.707 62.100 -0.361 0.000 0.989 835 T CB -0.277 68.373 68.868 -0.364 0.000 0.992 835 T HN 0.091 nan 8.240 nan 0.000 0.540 836 L N 0.000 121.112 121.223 -0.185 0.000 2.949 836 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 836 L CA 0.000 54.771 54.840 -0.115 0.000 0.813 836 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502