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 3c2g_1_B DATA FIRST_RESID 181 DATA SEQUENCE NITQAAEQAI RLWFNTPDPX QRLHXAKTIR TWIRQDKFAQ VDQANXPNCV DATA SEQUENCE QQILNIIYDG LKPQPVQLPI SYYAQLWYNL LDILRRFTFL PIISPYIHQV DATA SEQUENCE VQXFCPRENG PQDFRELICN LISLNWQKDP HXKHCANQVF QIFNCIIXGV DATA SEQUENCE KNEKLRTEFA QHLKFEKLVG TLSEYFNPQV HPGXINPAIF IIFRFIISKD DATA SEQUENCE TRLKDYFIWN NNPHDQPPPP TGLIIKLNAV XIGSYRLIAG QNPETLPQNP DATA SEQUENCE ELAHLIQVII RTFDLLGLLL HDSDAIDGFV RSDGVGAITT VVQYPNNDLI DATA SEQUENCE RAGCKLLLQV SDAKALAKTP LENILPFLLR LIEIHPDDEV IYSGTGFLSN DATA SEQUENCE VVAHKQHVKD IAIRSNAIFL LHTIISKYPR LDELTDAPKR NRVCEIICNC DATA SEQUENCE LRTLNNFLXX WIPTPXXXTK TAGPNEKQQV CKFIEIDILK KLXSCLSCEX DATA SEQUENCE XDTPGLLELR STILRSFILL LRTPFVPKDG VLNVIDENRK ENLIGHICAA DATA SEQUENCE YSWVFRQPNN TRTQSTKQQL VERTISLLLV LXEQCGAEKE VAQYSYSIDC DATA SEQUENCE PLNLLNGNQV KPTFIHNVLV VCDKILEHCP TRADIWTIDR PXLEGLTNHR DATA SEQUENCE NSDIAKAANS LLSRFPEN 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 181 N HA 0.000 nan 4.740 nan 0.000 0.220 181 N C 0.000 175.494 175.510 -0.026 0.000 1.280 181 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 181 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 182 I N -2.179 118.389 120.570 -0.004 0.000 2.194 182 I HA -0.243 3.811 4.170 -0.192 0.000 0.246 182 I C 1.522 177.571 176.117 -0.113 0.000 1.093 182 I CA 2.010 63.306 61.300 -0.007 0.000 1.355 182 I CB -1.037 37.006 38.000 0.072 0.000 1.046 182 I HN 0.556 nan 8.210 nan 0.000 0.413 183 T N 0.552 115.034 114.554 -0.121 0.000 2.737 183 T HA -0.181 4.054 4.350 -0.192 0.000 0.265 183 T C 2.417 176.884 174.700 -0.388 0.000 1.038 183 T CA 2.172 64.072 62.100 -0.333 0.000 1.144 183 T CB -0.716 68.096 68.868 -0.093 0.000 0.866 183 T HN 0.696 nan 8.240 nan 0.000 0.434 184 Q N 0.931 120.609 119.800 -0.204 0.000 2.079 184 Q HA 0.220 4.444 4.340 -0.192 0.000 0.200 184 Q C 2.579 178.476 176.000 -0.172 0.000 0.974 184 Q CA 1.788 57.492 55.803 -0.165 0.000 0.840 184 Q CB -1.258 27.427 28.738 -0.088 0.000 0.898 184 Q HN 0.697 nan 8.270 nan 0.000 0.430 185 A N 0.791 123.520 122.820 -0.152 0.000 1.898 185 A HA 0.275 4.479 4.320 -0.192 0.000 0.216 185 A C 2.733 180.218 177.584 -0.164 0.000 1.181 185 A CA 2.068 54.040 52.037 -0.110 0.000 0.620 185 A CB -0.807 18.160 19.000 -0.055 0.000 0.819 185 A HN 1.095 nan 8.150 nan 0.000 0.442 186 A N -0.139 122.503 122.820 -0.296 0.000 1.902 186 A HA -0.177 4.027 4.320 -0.192 0.000 0.217 186 A C 1.929 179.282 177.584 -0.385 0.000 1.181 186 A CA 1.627 53.439 52.037 -0.376 0.000 0.623 186 A CB -0.555 18.026 19.000 -0.698 0.000 0.818 186 A HN 0.620 nan 8.150 nan 0.000 0.443 187 E N -0.831 119.090 120.200 -0.464 0.000 2.085 187 E HA -0.273 3.962 4.350 -0.192 0.000 0.194 187 E C 2.278 178.793 176.600 -0.142 0.000 0.994 187 E CA 1.448 57.663 56.400 -0.308 0.000 0.801 187 E CB -0.170 29.365 29.700 -0.275 0.000 0.743 187 E HN 0.794 nan 8.360 nan 0.000 0.453 188 Q N 0.293 120.025 119.800 -0.114 0.000 2.084 188 Q HA -0.177 4.048 4.340 -0.192 0.000 0.202 188 Q C 2.158 178.159 176.000 0.002 0.000 0.978 188 Q CA 1.371 57.149 55.803 -0.042 0.000 0.844 188 Q CB -0.103 28.616 28.738 -0.032 0.000 0.898 188 Q HN 0.239 nan 8.270 nan 0.000 0.426 189 A N 0.821 123.639 122.820 -0.005 0.000 1.883 189 A HA -0.213 3.991 4.320 -0.192 0.000 0.217 189 A C 1.982 179.647 177.584 0.134 0.000 1.186 189 A CA 1.598 53.676 52.037 0.069 0.000 0.624 189 A CB -0.810 18.217 19.000 0.045 0.000 0.822 189 A HN 0.479 nan 8.150 nan 0.000 0.444 190 I N -0.857 119.753 120.570 0.067 0.000 2.208 190 I HA -0.303 3.752 4.170 -0.192 0.000 0.245 190 I C 2.810 179.024 176.117 0.161 0.000 1.097 190 I CA 1.541 62.902 61.300 0.101 0.000 1.363 190 I CB -0.359 37.664 38.000 0.039 0.000 1.051 190 I HN 0.299 nan 8.210 nan 0.000 0.413 191 R N 0.051 120.614 120.500 0.104 0.000 2.075 191 R HA -0.127 4.098 4.340 -0.192 0.000 0.232 191 R C 2.050 178.446 176.300 0.159 0.000 1.126 191 R CA 1.229 57.397 56.100 0.114 0.000 0.963 191 R CB -0.294 30.038 30.300 0.054 0.000 0.858 191 R HN 0.232 nan 8.270 nan 0.000 0.435 192 L N -0.406 120.900 121.223 0.138 0.000 2.446 192 L HA -0.029 4.195 4.340 -0.192 0.000 0.219 192 L C 1.851 178.796 176.870 0.125 0.000 1.116 192 L CA 0.629 55.535 54.840 0.110 0.000 0.844 192 L CB -0.736 41.352 42.059 0.049 0.000 0.970 192 L HN 0.330 nan 8.230 nan 0.000 0.457 193 W N 0.846 122.138 121.300 -0.012 0.000 2.269 193 W HA -0.382 4.162 4.660 -0.192 0.000 0.336 193 W C 1.852 178.250 176.519 -0.203 0.000 1.333 193 W CA 2.150 59.396 57.345 -0.164 0.000 1.299 193 W CB -0.816 28.443 29.460 -0.334 0.000 1.126 193 W HN 0.194 nan 8.180 nan 0.000 0.474 194 F N 0.812 120.914 119.950 0.254 0.000 2.748 194 F HA -0.055 4.356 4.527 -0.193 0.000 0.299 194 F C 1.919 177.733 175.800 0.024 0.000 1.154 194 F CA 1.037 59.134 58.000 0.161 0.000 1.446 194 F CB -0.683 38.439 39.000 0.203 0.000 1.112 194 F HN -0.078 nan 8.300 nan 0.000 0.584 195 N N -0.898 117.873 118.700 0.118 0.000 2.282 195 N HA 0.030 4.655 4.740 -0.192 0.000 0.185 195 N C 0.145 175.626 175.510 -0.048 0.000 1.099 195 N CA 0.475 53.550 53.050 0.042 0.000 0.878 195 N CB 0.201 38.718 38.487 0.050 0.000 0.993 195 N HN 0.034 nan 8.380 nan 0.000 0.481 196 T N 2.901 117.371 114.554 -0.140 0.000 3.281 196 T HA 0.205 4.440 4.350 -0.192 0.000 0.359 196 T C -1.953 172.570 174.700 -0.295 0.000 1.459 196 T CA -1.169 60.809 62.100 -0.203 0.000 1.114 196 T CB 1.645 70.379 68.868 -0.224 0.000 1.162 196 T HN 0.095 nan 8.240 nan 0.000 0.665 197 P HA 0.109 nan 4.420 nan 0.000 0.253 197 P C -0.073 177.119 177.300 -0.180 0.000 1.260 197 P CA -0.040 62.945 63.100 -0.192 0.000 0.800 197 P CB 0.034 31.670 31.700 -0.106 0.000 1.162 198 D N 1.667 121.957 120.400 -0.184 0.000 2.339 198 D HA 0.157 4.681 4.640 -0.192 0.000 0.256 198 D C -1.849 174.343 176.300 -0.180 0.000 1.214 198 D CA -2.073 51.830 54.000 -0.162 0.000 0.877 198 D CB 0.319 41.038 40.800 -0.134 0.000 1.111 198 D HN 0.008 nan 8.370 nan 0.000 0.478 202 R N 0.469 120.894 120.500 -0.125 0.000 2.070 202 R HA -0.112 4.113 4.340 -0.192 0.000 0.233 202 R C 2.040 178.394 176.300 0.091 0.000 1.137 202 R CA 1.704 57.675 56.100 -0.215 0.000 0.945 202 R CB -0.279 29.803 30.300 -0.364 0.000 0.845 202 R HN 0.160 nan 8.270 nan 0.000 0.430 203 L N 0.754 122.053 121.223 0.128 0.000 2.043 203 L HA -0.180 4.044 4.340 -0.192 0.000 0.212 203 L C 1.304 178.244 176.870 0.117 0.000 1.075 203 L CA 1.790 56.697 54.840 0.112 0.000 0.752 203 L CB -0.820 41.307 42.059 0.112 0.000 0.891 203 L HN 0.192 nan 8.230 nan 0.000 0.432 207 K N 0.548 120.941 120.400 -0.012 0.000 2.057 207 K HA -0.080 4.124 4.320 -0.192 0.000 0.207 207 K C 1.881 178.443 176.600 -0.064 0.000 1.049 207 K CA 1.923 58.190 56.287 -0.033 0.000 0.931 207 K CB -0.313 32.166 32.500 -0.035 0.000 0.714 207 K HN 0.552 nan 8.250 nan 0.000 0.440 208 T N 1.936 116.399 114.554 -0.151 0.000 2.684 208 T HA -0.133 4.101 4.350 -0.192 0.000 0.267 208 T C 1.991 176.684 174.700 -0.011 0.000 1.036 208 T CA 1.320 63.341 62.100 -0.132 0.000 1.148 208 T CB -0.255 68.472 68.868 -0.235 0.000 0.863 208 T HN 0.133 nan 8.240 nan 0.000 0.436 209 I N 0.758 121.333 120.570 0.008 0.000 2.226 209 I HA -0.165 3.889 4.170 -0.192 0.000 0.245 209 I C 2.798 178.973 176.117 0.096 0.000 1.100 209 I CA 1.248 62.606 61.300 0.096 0.000 1.374 209 I CB -0.365 37.669 38.000 0.057 0.000 1.057 209 I HN 0.138 nan 8.210 nan 0.000 0.413 210 R N 0.756 121.264 120.500 0.014 0.000 2.073 210 R HA -0.163 4.061 4.340 -0.192 0.000 0.234 210 R C 2.222 178.518 176.300 -0.006 0.000 1.134 210 R CA 2.196 58.282 56.100 -0.025 0.000 0.952 210 R CB -0.421 29.861 30.300 -0.029 0.000 0.850 210 R HN 0.257 nan 8.270 nan 0.000 0.433 211 T N 0.043 114.614 114.554 0.028 0.000 2.684 211 T HA -0.213 4.021 4.350 -0.192 0.000 0.267 211 T C 1.150 175.890 174.700 0.068 0.000 1.036 211 T CA 1.462 63.586 62.100 0.040 0.000 1.148 211 T CB -0.530 68.364 68.868 0.043 0.000 0.863 211 T HN 0.538 nan 8.240 nan 0.000 0.436 212 W N 1.898 123.134 121.300 -0.106 0.000 2.335 212 W HA -0.045 4.500 4.660 -0.192 0.000 0.311 212 W C 1.794 178.197 176.519 -0.192 0.000 1.213 212 W CA 0.522 57.783 57.345 -0.140 0.000 1.274 212 W CB -0.714 28.649 29.460 -0.163 0.000 1.148 212 W HN 0.204 nan 8.180 nan 0.000 0.498 213 I N 0.346 120.693 120.570 -0.371 0.000 2.315 213 I HA -0.291 3.764 4.170 -0.192 0.000 0.248 213 I C 2.728 178.662 176.117 -0.305 0.000 1.117 213 I CA 1.339 62.289 61.300 -0.582 0.000 1.404 213 I CB -0.622 37.169 38.000 -0.348 0.000 1.071 213 I HN -0.048 nan 8.210 nan 0.000 0.419 214 R N 0.127 120.534 120.500 -0.154 0.000 2.081 214 R HA -0.223 4.002 4.340 -0.192 0.000 0.235 214 R C 2.256 178.515 176.300 -0.068 0.000 1.131 214 R CA 1.721 57.779 56.100 -0.070 0.000 0.960 214 R CB -0.190 30.098 30.300 -0.019 0.000 0.856 214 R HN 0.480 nan 8.270 nan 0.000 0.436 215 Q N -0.293 119.455 119.800 -0.086 0.000 2.159 215 Q HA -0.083 4.141 4.340 -0.192 0.000 0.194 215 Q C 1.953 177.901 176.000 -0.086 0.000 0.968 215 Q CA 1.424 57.198 55.803 -0.049 0.000 0.837 215 Q CB 0.135 28.874 28.738 0.002 0.000 0.920 215 Q HN 0.418 nan 8.270 nan 0.000 0.485 216 D N 0.002 120.296 120.400 -0.177 0.000 2.224 216 D HA -0.009 4.515 4.640 -0.192 0.000 0.205 216 D C 1.112 177.276 176.300 -0.228 0.000 0.965 216 D CA 1.555 55.439 54.000 -0.194 0.000 0.852 216 D CB -0.761 39.892 40.800 -0.244 0.000 0.947 216 D HN 0.448 nan 8.370 nan 0.000 0.494 217 K N -2.119 118.098 120.400 -0.305 0.000 3.071 217 K HA -0.132 4.073 4.320 -0.192 0.000 0.262 217 K C 1.176 177.745 176.600 -0.052 0.000 0.977 217 K CA 1.240 57.430 56.287 -0.161 0.000 0.721 217 K CB -3.262 29.220 32.500 -0.029 0.000 1.293 217 K HN 1.302 nan 8.250 nan 0.000 0.475 218 F N -4.507 115.181 119.950 -0.436 0.000 2.691 218 F HA -0.369 4.042 4.527 -0.193 0.000 0.487 218 F C 2.467 178.183 175.800 -0.139 0.000 0.547 218 F CA 1.914 59.705 58.000 -0.350 0.000 0.988 218 F CB -2.042 36.795 39.000 -0.273 0.000 1.675 218 F HN 1.088 nan 8.300 nan 0.000 0.269 219 A N -0.121 122.726 122.820 0.045 0.000 1.886 219 A HA -0.388 3.817 4.320 -0.192 0.000 0.240 219 A C 1.779 179.412 177.584 0.081 0.000 1.875 219 A CA 2.635 54.704 52.037 0.053 0.000 0.760 219 A CB -0.917 18.099 19.000 0.026 0.000 0.849 219 A HN 0.699 nan 8.150 nan 0.000 0.505 220 Q N -0.623 119.236 119.800 0.100 0.000 2.253 220 Q HA 0.253 4.478 4.340 -0.192 0.000 0.210 220 Q C -0.655 175.433 176.000 0.147 0.000 0.907 220 Q CA -0.328 55.546 55.803 0.118 0.000 0.948 220 Q CB 0.016 28.831 28.738 0.129 0.000 1.033 220 Q HN 0.496 nan 8.270 nan 0.000 0.471 221 V N 0.816 120.829 119.914 0.165 0.000 2.539 221 V HA 0.216 4.220 4.120 -0.192 0.000 0.292 221 V C 0.308 176.463 176.094 0.102 0.000 1.045 221 V CA -0.385 62.017 62.300 0.171 0.000 0.945 221 V CB 1.146 33.119 31.823 0.250 0.000 0.993 221 V HN 0.337 nan 8.190 nan 0.000 0.464 222 D N 1.921 122.370 120.400 0.081 0.000 2.417 222 D HA 0.120 4.645 4.640 -0.192 0.000 0.250 222 D C 0.908 177.232 176.300 0.040 0.000 1.166 222 D CA 0.039 54.071 54.000 0.054 0.000 0.881 222 D CB 0.542 41.368 40.800 0.044 0.000 1.164 222 D HN 0.806 nan 8.370 nan 0.000 0.467 223 Q N 0.940 120.767 119.800 0.045 0.000 2.297 223 Q HA -0.120 4.104 4.340 -0.192 0.000 0.208 223 Q C 2.217 178.251 176.000 0.056 0.000 0.981 223 Q CA 1.684 57.521 55.803 0.057 0.000 0.876 223 Q CB -0.032 28.746 28.738 0.067 0.000 0.921 223 Q HN 0.748 nan 8.270 nan 0.000 0.446 224 A N -0.159 122.683 122.820 0.038 0.000 2.081 224 A HA 0.070 4.275 4.320 -0.192 0.000 0.214 224 A C 1.094 178.686 177.584 0.012 0.000 1.158 224 A CA 0.761 52.818 52.037 0.033 0.000 0.724 224 A CB -0.790 18.226 19.000 0.028 0.000 0.826 224 A HN 0.546 nan 8.150 nan 0.000 0.463 228 N N -0.157 118.474 118.700 -0.114 0.000 2.216 228 N HA -0.123 4.501 4.740 -0.192 0.000 0.183 228 N C 1.584 177.063 175.510 -0.053 0.000 1.017 228 N CA 1.457 54.467 53.050 -0.066 0.000 0.861 228 N CB -0.026 38.443 38.487 -0.031 0.000 0.986 228 N HN 0.285 nan 8.380 nan 0.000 0.428 229 C N 0.478 119.740 119.300 -0.063 0.000 2.413 229 C HA -0.060 4.285 4.460 -0.192 0.000 0.277 229 C C 2.815 177.812 174.990 0.013 0.000 1.228 229 C CA 0.755 59.790 59.018 0.028 0.000 1.731 229 C CB -1.121 26.666 27.740 0.078 0.000 2.042 229 C HN 0.287 nan 8.230 nan 0.000 0.468 230 V N 0.648 120.446 119.914 -0.193 0.000 2.287 230 V HA -0.223 3.782 4.120 -0.192 0.000 0.248 230 V C 2.591 178.628 176.094 -0.097 0.000 1.053 230 V CA 2.436 64.576 62.300 -0.266 0.000 1.027 230 V CB -0.997 30.475 31.823 -0.585 0.000 0.646 230 V HN 0.605 nan 8.190 nan 0.000 0.447 231 Q N -0.159 119.574 119.800 -0.113 0.000 2.124 231 Q HA -0.210 4.014 4.340 -0.192 0.000 0.202 231 Q C 2.221 178.216 176.000 -0.010 0.000 0.977 231 Q CA 1.807 57.567 55.803 -0.072 0.000 0.850 231 Q CB -0.319 28.372 28.738 -0.078 0.000 0.901 231 Q HN 0.693 nan 8.270 nan 0.000 0.429 232 Q N -0.542 119.272 119.800 0.022 0.000 2.020 232 Q HA -0.117 4.108 4.340 -0.192 0.000 0.202 232 Q C 2.123 178.180 176.000 0.096 0.000 0.982 232 Q CA 1.612 57.462 55.803 0.078 0.000 0.838 232 Q CB -0.152 28.643 28.738 0.095 0.000 0.899 232 Q HN 0.453 nan 8.270 nan 0.000 0.423 233 I N 0.644 121.285 120.570 0.118 0.000 2.264 233 I HA -0.304 3.750 4.170 -0.192 0.000 0.248 233 I C 2.157 178.300 176.117 0.044 0.000 1.111 233 I CA 1.060 62.426 61.300 0.111 0.000 1.382 233 I CB -0.258 37.936 38.000 0.323 0.000 1.060 233 I HN 0.227 nan 8.210 nan 0.000 0.418 234 L N 0.310 121.584 121.223 0.085 0.000 2.056 234 L HA -0.192 4.033 4.340 -0.192 0.000 0.207 234 L C 2.244 179.113 176.870 -0.002 0.000 1.078 234 L CA 1.204 56.050 54.840 0.009 0.000 0.749 234 L CB -0.665 41.362 42.059 -0.054 0.000 0.901 234 L HN 0.285 nan 8.230 nan 0.000 0.433 235 N N 0.286 119.015 118.700 0.048 0.000 2.166 235 N HA -0.132 4.492 4.740 -0.192 0.000 0.186 235 N C 1.834 177.441 175.510 0.161 0.000 1.019 235 N CA 1.221 54.366 53.050 0.159 0.000 0.856 235 N CB -0.209 38.378 38.487 0.167 0.000 0.993 235 N HN 0.284 nan 8.380 nan 0.000 0.426 236 I N 0.606 121.132 120.570 -0.073 0.000 2.202 236 I HA -0.209 3.846 4.170 -0.192 0.000 0.242 236 I C 1.923 177.746 176.117 -0.490 0.000 1.091 236 I CA 0.784 61.676 61.300 -0.678 0.000 1.368 236 I CB -0.148 37.275 38.000 -0.962 0.000 1.058 236 I HN 0.059 nan 8.210 nan 0.000 0.410 237 I N -0.299 120.132 120.570 -0.232 0.000 2.118 237 I HA -0.375 3.680 4.170 -0.192 0.000 0.241 237 I C 2.634 178.817 176.117 0.111 0.000 1.070 237 I CA 1.650 62.900 61.300 -0.083 0.000 1.327 237 I CB -0.607 37.365 38.000 -0.046 0.000 1.034 237 I HN 0.261 nan 8.210 nan 0.000 0.405 238 Y N 1.905 122.233 120.300 0.048 0.000 2.128 238 Y HA -0.332 4.103 4.550 -0.192 0.000 0.284 238 Y C 2.214 178.181 175.900 0.112 0.000 1.154 238 Y CA 1.950 60.145 58.100 0.158 0.000 1.149 238 Y CB -0.938 37.602 38.460 0.132 0.000 0.976 238 Y HN 0.317 nan 8.280 nan 0.000 0.505 239 D N -0.777 119.680 120.400 0.094 0.000 2.104 239 D HA -0.145 4.380 4.640 -0.192 0.000 0.194 239 D C 2.461 178.896 176.300 0.225 0.000 0.994 239 D CA 1.933 55.986 54.000 0.089 0.000 0.830 239 D CB -0.829 40.100 40.800 0.215 0.000 0.959 239 D HN 0.443 nan 8.370 nan 0.000 0.452 240 G N 0.077 109.024 108.800 0.245 0.000 2.450 240 G HA2 -0.216 3.628 3.960 -0.192 0.000 0.220 240 G HA3 -0.216 3.628 3.960 -0.192 0.000 0.220 240 G C 1.686 176.846 174.900 0.432 0.000 1.130 240 G CA 0.703 46.049 45.100 0.410 0.000 0.760 240 G HN 0.383 nan 8.290 nan 0.000 0.557 241 L N -0.425 120.909 121.223 0.185 0.000 2.395 241 L HA 0.150 4.375 4.340 -0.192 0.000 0.218 241 L C 1.265 178.132 176.870 -0.004 0.000 1.130 241 L CA 0.149 54.917 54.840 -0.120 0.000 0.826 241 L CB -0.072 41.791 42.059 -0.326 0.000 0.941 241 L HN 0.063 nan 8.230 nan 0.000 0.451 242 K N 1.034 121.507 120.400 0.121 0.000 2.355 242 K HA 0.127 4.331 4.320 -0.192 0.000 0.270 242 K C -2.137 174.578 176.600 0.192 0.000 1.003 242 K CA -1.500 54.848 56.287 0.102 0.000 0.957 242 K CB 0.260 32.787 32.500 0.044 0.000 0.939 242 K HN -0.138 nan 8.250 nan 0.000 0.482 243 P HA 0.086 nan 4.420 nan 0.000 0.281 243 P C -1.299 176.112 177.300 0.185 0.000 1.249 243 P CA -0.433 62.752 63.100 0.141 0.000 0.810 243 P CB 0.891 32.635 31.700 0.073 0.000 1.008 244 Q N 1.945 121.901 119.800 0.260 0.000 2.266 244 Q HA 0.287 4.511 4.340 -0.192 0.000 0.261 244 Q C -1.596 174.486 176.000 0.137 0.000 0.985 244 Q CA -1.686 54.228 55.803 0.184 0.000 0.873 244 Q CB 0.774 29.620 28.738 0.181 0.000 1.306 244 Q HN 0.306 nan 8.270 nan 0.000 0.447 245 P HA -0.147 nan 4.420 nan 0.000 0.216 245 P C -0.118 177.211 177.300 0.048 0.000 1.153 245 P CA 0.915 64.050 63.100 0.059 0.000 0.858 245 P CB 0.031 31.752 31.700 0.036 0.000 0.789 246 V N -0.030 119.900 119.914 0.027 0.000 2.557 246 V HA 0.187 4.192 4.120 -0.192 0.000 0.301 246 V C 0.954 177.059 176.094 0.018 0.000 1.026 246 V CA 0.159 62.455 62.300 -0.006 0.000 1.137 246 V CB -1.294 30.491 31.823 -0.063 0.000 0.917 246 V HN 0.202 nan 8.190 nan 0.000 0.484 247 Q N 5.575 125.382 119.800 0.012 0.000 2.286 247 Q HA 0.591 4.815 4.340 -0.192 0.000 0.267 247 Q C -0.743 175.239 176.000 -0.030 0.000 1.028 247 Q CA 0.004 55.829 55.803 0.036 0.000 0.901 247 Q CB 0.488 29.247 28.738 0.035 0.000 1.183 247 Q HN 0.759 nan 8.270 nan 0.000 0.392 248 L N 3.430 124.637 121.223 -0.027 0.000 2.341 248 L HA 0.677 4.901 4.340 -0.192 0.000 0.267 248 L C -1.921 174.883 176.870 -0.109 0.000 1.009 248 L CA -2.215 52.500 54.840 -0.210 0.000 0.819 248 L CB 2.603 44.318 42.059 -0.573 0.000 1.323 248 L HN 0.658 nan 8.230 nan 0.000 0.425 249 P HA 0.201 nan 4.420 nan 0.000 0.271 249 P C 0.828 178.103 177.300 -0.042 0.000 1.218 249 P CA -0.228 62.840 63.100 -0.054 0.000 0.780 249 P CB 1.150 32.803 31.700 -0.078 0.000 0.901 250 I N 0.911 121.503 120.570 0.036 0.000 2.264 250 I HA -0.297 3.758 4.170 -0.192 0.000 0.248 250 I C 2.240 178.264 176.117 -0.154 0.000 1.111 250 I CA 1.716 63.038 61.300 0.037 0.000 1.382 250 I CB -0.502 37.579 38.000 0.136 0.000 1.060 250 I HN 0.351 nan 8.210 nan 0.000 0.418 251 S N -0.005 115.525 115.700 -0.283 0.000 2.400 251 S HA -0.272 4.083 4.470 -0.192 0.000 0.232 251 S C 1.851 176.245 174.600 -0.344 0.000 1.025 251 S CA 1.448 59.321 58.200 -0.545 0.000 0.993 251 S CB -0.682 62.198 63.200 -0.534 0.000 0.808 251 S HN 0.552 nan 8.310 nan 0.000 0.478 252 Y N 1.440 121.509 120.300 -0.385 0.000 2.130 252 Y HA -0.124 4.311 4.550 -0.192 0.000 0.287 252 Y C 2.129 177.733 175.900 -0.494 0.000 1.124 252 Y CA 1.110 58.957 58.100 -0.422 0.000 1.118 252 Y CB -0.742 37.418 38.460 -0.499 0.000 0.994 252 Y HN 0.097 nan 8.280 nan 0.000 0.497 253 Y N 0.509 120.410 120.300 -0.666 0.000 2.114 253 Y HA -0.261 4.173 4.550 -0.192 0.000 0.282 253 Y C 2.811 177.984 175.900 -1.212 0.000 1.165 253 Y CA 1.451 58.777 58.100 -1.290 0.000 1.148 253 Y CB -1.416 36.152 38.460 -1.487 0.000 0.972 253 Y HN 0.293 nan 8.280 nan 0.000 0.504 254 A N -0.356 122.156 122.820 -0.513 0.000 1.917 254 A HA -0.342 3.862 4.320 -0.192 0.000 0.219 254 A C 2.231 179.739 177.584 -0.127 0.000 1.182 254 A CA 2.206 54.127 52.037 -0.194 0.000 0.633 254 A CB -0.879 18.076 19.000 -0.074 0.000 0.819 254 A HN 0.585 nan 8.150 nan 0.000 0.448 255 Q N -1.328 118.311 119.800 -0.269 0.000 2.123 255 Q HA -0.076 4.149 4.340 -0.192 0.000 0.199 255 Q C 1.975 177.876 176.000 -0.165 0.000 0.966 255 Q CA 1.314 57.001 55.803 -0.192 0.000 0.845 255 Q CB -0.166 28.430 28.738 -0.237 0.000 0.907 255 Q HN 0.579 nan 8.270 nan 0.000 0.439 256 L N -0.489 120.502 121.223 -0.386 0.000 2.044 256 L HA -0.111 4.113 4.340 -0.192 0.000 0.205 256 L C 1.644 178.561 176.870 0.078 0.000 1.075 256 L CA 1.593 56.285 54.840 -0.246 0.000 0.747 256 L CB -0.565 41.193 42.059 -0.502 0.000 0.903 256 L HN 0.354 nan 8.230 nan 0.000 0.435 257 W N -1.115 120.161 121.300 -0.041 0.000 2.388 257 W HA -0.176 4.368 4.660 -0.193 0.000 0.294 257 W C 2.690 179.203 176.519 -0.011 0.000 1.212 257 W CA 1.009 58.338 57.345 -0.027 0.000 1.271 257 W CB -1.506 27.926 29.460 -0.047 0.000 1.126 257 W HN 0.291 nan 8.180 nan 0.000 0.535 258 Y N 1.987 122.371 120.300 0.142 0.000 2.165 258 Y HA -0.327 4.107 4.550 -0.193 0.000 0.286 258 Y C 2.035 177.957 175.900 0.037 0.000 1.155 258 Y CA 2.506 60.652 58.100 0.075 0.000 1.164 258 Y CB -0.659 37.827 38.460 0.044 0.000 0.978 258 Y HN -0.112 nan 8.280 nan 0.000 0.513 259 N N -0.185 118.605 118.700 0.150 0.000 2.142 259 N HA -0.150 4.475 4.740 -0.192 0.000 0.186 259 N C 1.713 177.190 175.510 -0.054 0.000 1.023 259 N CA 1.749 54.828 53.050 0.049 0.000 0.852 259 N CB -0.371 38.158 38.487 0.070 0.000 0.998 259 N HN 0.323 nan 8.380 nan 0.000 0.424 260 L N 0.051 121.264 121.223 -0.016 0.000 2.093 260 L HA -0.066 4.159 4.340 -0.192 0.000 0.208 260 L C 1.811 178.599 176.870 -0.138 0.000 1.085 260 L CA 0.792 55.587 54.840 -0.074 0.000 0.755 260 L CB -0.415 41.640 42.059 -0.006 0.000 0.904 260 L HN 0.176 nan 8.230 nan 0.000 0.435 261 L N -0.452 120.695 121.223 -0.127 0.000 2.217 261 L HA -0.179 4.046 4.340 -0.192 0.000 0.211 261 L C 2.037 178.775 176.870 -0.219 0.000 1.107 261 L CA 1.020 55.760 54.840 -0.167 0.000 0.783 261 L CB -0.440 41.531 42.059 -0.146 0.000 0.919 261 L HN 0.242 nan 8.230 nan 0.000 0.442 262 D N 0.263 120.490 120.400 -0.288 0.000 2.183 262 D HA -0.140 4.384 4.640 -0.192 0.000 0.203 262 D C 2.184 178.344 176.300 -0.234 0.000 0.969 262 D CA 0.879 54.713 54.000 -0.276 0.000 0.842 262 D CB 0.166 40.771 40.800 -0.325 0.000 0.957 262 D HN 0.226 nan 8.370 nan 0.000 0.484 263 I N -0.107 120.294 120.570 -0.282 0.000 2.163 263 I HA -0.190 3.865 4.170 -0.192 0.000 0.240 263 I C 2.235 178.001 176.117 -0.586 0.000 1.081 263 I CA 0.433 61.465 61.300 -0.446 0.000 1.353 263 I CB -0.325 37.386 38.000 -0.482 0.000 1.054 263 I HN 0.139 nan 8.210 nan 0.000 0.407 264 L N 1.190 122.158 121.223 -0.425 0.000 2.021 264 L HA -0.272 3.953 4.340 -0.192 0.000 0.215 264 L C 2.672 179.449 176.870 -0.156 0.000 1.074 264 L CA 1.922 56.597 54.840 -0.274 0.000 0.760 264 L CB -0.719 41.266 42.059 -0.123 0.000 0.889 264 L HN 0.126 nan 8.230 nan 0.000 0.433 265 R N -0.812 119.609 120.500 -0.132 0.000 2.083 265 R HA -0.204 4.020 4.340 -0.192 0.000 0.237 265 R C 2.461 178.688 176.300 -0.123 0.000 1.137 265 R CA 1.930 58.011 56.100 -0.033 0.000 0.951 265 R CB -0.200 30.115 30.300 0.025 0.000 0.851 265 R HN 0.335 nan 8.270 nan 0.000 0.434 266 R N -0.766 119.562 120.500 -0.285 0.000 2.120 266 R HA -0.101 4.124 4.340 -0.192 0.000 0.234 266 R C 2.059 178.092 176.300 -0.445 0.000 1.123 266 R CA 1.287 56.993 56.100 -0.655 0.000 0.975 266 R CB -0.220 29.852 30.300 -0.380 0.000 0.866 266 R HN 0.196 nan 8.270 nan 0.000 0.446 267 F N 0.507 120.256 119.950 -0.335 0.000 2.333 267 F HA -0.122 4.290 4.527 -0.193 0.000 0.300 267 F C 2.414 178.071 175.800 -0.237 0.000 1.083 267 F CA 1.470 59.314 58.000 -0.261 0.000 1.395 267 F CB -0.940 37.951 39.000 -0.181 0.000 1.056 267 F HN 0.123 nan 8.300 nan 0.000 0.529 268 T N -3.115 111.421 114.554 -0.029 0.000 3.081 268 T HA -0.053 4.181 4.350 -0.192 0.000 0.255 268 T C 1.183 175.921 174.700 0.064 0.000 1.113 268 T CA 0.541 62.642 62.100 0.002 0.000 1.082 268 T CB -0.692 68.196 68.868 0.032 0.000 0.939 268 T HN 0.262 nan 8.240 nan 0.000 0.506 269 F N -0.991 118.978 119.950 0.031 0.000 2.817 269 F HA 0.599 5.010 4.527 -0.192 0.000 0.333 269 F C -0.232 175.580 175.800 0.019 0.000 1.085 269 F CA -1.428 56.582 58.000 0.016 0.000 1.170 269 F CB -0.122 38.888 39.000 0.017 0.000 1.066 269 F HN -0.104 nan 8.300 nan 0.000 0.564 270 L N 5.125 126.214 121.223 -0.223 0.000 2.385 270 L HA 0.362 4.586 4.340 -0.192 0.000 0.281 270 L C -1.136 175.725 176.870 -0.016 0.000 1.106 270 L CA -2.608 52.173 54.840 -0.098 0.000 0.856 270 L CB 0.360 42.315 42.059 -0.172 0.000 1.186 270 L HN -0.156 nan 8.230 nan 0.000 0.453 271 P HA -0.289 nan 4.420 nan 0.000 0.219 271 P C 1.865 179.153 177.300 -0.020 0.000 1.158 271 P CA 1.657 64.770 63.100 0.022 0.000 0.895 271 P CB 0.319 32.042 31.700 0.039 0.000 0.792 272 I N -1.322 119.233 120.570 -0.025 0.000 2.454 272 I HA -0.184 3.870 4.170 -0.192 0.000 0.254 272 I C 1.967 178.046 176.117 -0.064 0.000 1.156 272 I CA 1.022 62.300 61.300 -0.037 0.000 1.433 272 I CB -0.126 37.858 38.000 -0.026 0.000 1.082 272 I HN -0.187 nan 8.210 nan 0.000 0.432 273 I N 0.029 120.513 120.570 -0.144 0.000 2.584 273 I HA -0.160 3.894 4.170 -0.192 0.000 0.255 273 I C 2.758 178.822 176.117 -0.088 0.000 1.145 273 I CA 1.330 62.512 61.300 -0.197 0.000 1.462 273 I CB -1.475 36.282 38.000 -0.405 0.000 1.102 273 I HN 0.340 nan 8.210 nan 0.000 0.433 274 S N 2.921 118.557 115.700 -0.108 0.000 2.393 274 S HA -0.150 4.204 4.470 -0.192 0.000 0.234 274 S C -0.129 174.363 174.600 -0.179 0.000 1.064 274 S CA 1.513 59.645 58.200 -0.113 0.000 1.088 274 S CB -2.391 60.763 63.200 -0.077 0.000 0.939 274 S HN 0.289 nan 8.310 nan 0.000 0.448 275 P HA -0.066 nan 4.420 nan 0.000 0.223 275 P C 0.273 177.254 177.300 -0.532 0.000 1.144 275 P CA 1.099 63.898 63.100 -0.501 0.000 0.783 275 P CB -0.445 30.794 31.700 -0.768 0.000 0.771 276 Y N -2.150 118.065 120.300 -0.142 0.000 2.555 276 Y HA 0.284 4.718 4.550 -0.193 0.000 0.259 276 Y C 1.975 177.650 175.900 -0.375 0.000 1.179 276 Y CA -0.597 57.344 58.100 -0.263 0.000 1.230 276 Y CB -0.738 37.513 38.460 -0.347 0.000 1.146 276 Y HN -0.176 nan 8.280 nan 0.000 0.526 277 I N 0.850 121.346 120.570 -0.124 0.000 2.567 277 I HA -0.271 3.784 4.170 -0.192 0.000 0.257 277 I C 2.484 178.537 176.117 -0.107 0.000 1.184 277 I CA 1.529 62.756 61.300 -0.121 0.000 1.451 277 I CB -0.113 37.838 38.000 -0.082 0.000 1.089 277 I HN 0.450 nan 8.210 nan 0.000 0.441 278 H N -1.178 117.861 119.070 -0.052 0.000 2.457 278 H HA -0.084 4.357 4.556 -0.193 0.000 0.294 278 H C 1.979 177.296 175.328 -0.018 0.000 1.064 278 H CA 1.206 57.241 56.048 -0.021 0.000 1.330 278 H CB -0.663 29.090 29.762 -0.015 0.000 1.395 278 H HN 0.431 nan 8.280 nan 0.000 0.541 279 Q N 0.828 120.250 119.800 -0.631 0.000 2.050 279 Q HA -0.098 4.126 4.340 -0.192 0.000 0.202 279 Q C 2.549 178.410 176.000 -0.232 0.000 0.980 279 Q CA 1.686 57.261 55.803 -0.380 0.000 0.840 279 Q CB -0.043 28.458 28.738 -0.395 0.000 0.898 279 Q HN 0.398 nan 8.270 nan 0.000 0.424 280 V N 0.456 120.252 119.914 -0.196 0.000 2.231 280 V HA -0.296 3.708 4.120 -0.192 0.000 0.248 280 V C 2.284 178.376 176.094 -0.004 0.000 1.054 280 V CA 1.865 64.097 62.300 -0.114 0.000 1.015 280 V CB -0.728 31.062 31.823 -0.054 0.000 0.638 280 V HN 0.211 nan 8.190 nan 0.000 0.444 281 V N -1.042 118.893 119.914 0.035 0.000 2.332 281 V HA -0.251 3.753 4.120 -0.192 0.000 0.248 281 V C 1.588 177.804 176.094 0.203 0.000 1.055 281 V CA 1.373 63.786 62.300 0.188 0.000 1.038 281 V CB -0.615 31.291 31.823 0.138 0.000 0.651 281 V HN 0.578 nan 8.190 nan 0.000 0.450 285 C N 6.081 125.083 119.300 -0.497 0.000 2.592 285 C HA 0.280 4.624 4.460 -0.192 0.000 0.408 285 C C -1.383 173.503 174.990 -0.174 0.000 1.436 285 C CA -1.179 57.543 59.018 -0.494 0.000 1.595 285 C CB -0.364 27.189 27.740 -0.312 0.000 2.487 285 C HN 0.120 nan 8.230 nan 0.000 0.610 286 P HA 0.339 nan 4.420 nan 0.000 0.269 286 P C 0.120 177.400 177.300 -0.034 0.000 1.209 286 P CA 0.392 63.449 63.100 -0.070 0.000 0.776 286 P CB 0.788 32.454 31.700 -0.056 0.000 0.876 287 R N 1.171 121.656 120.500 -0.025 0.000 3.372 287 R HA 0.284 4.508 4.340 -0.192 0.000 0.150 287 R C 2.060 178.367 176.300 0.012 0.000 0.739 287 R CA 0.984 57.086 56.100 0.003 0.000 1.041 287 R CB -1.455 28.855 30.300 0.018 0.000 1.530 287 R HN 0.482 nan 8.270 nan 0.000 0.534 288 E N 0.691 120.903 120.200 0.019 0.000 2.502 288 E HA 0.217 4.452 4.350 -0.192 0.000 0.194 288 E C 1.120 177.726 176.600 0.009 0.000 1.062 288 E CA 1.331 57.745 56.400 0.022 0.000 0.867 288 E CB -1.533 28.191 29.700 0.039 0.000 0.888 288 E HN 1.764 nan 8.360 nan 0.000 0.510 289 N N -1.103 117.589 118.700 -0.012 0.000 2.708 289 N HA 0.041 4.665 4.740 -0.192 0.000 0.251 289 N C 0.829 176.333 175.510 -0.010 0.000 1.017 289 N CA 1.531 54.565 53.050 -0.026 0.000 0.742 289 N CB -1.904 36.579 38.487 -0.007 0.000 0.943 289 N HN 1.494 nan 8.380 nan 0.000 0.539 290 G N -2.033 106.763 108.800 -0.008 0.000 2.706 290 G HA2 0.769 4.613 3.960 -0.192 0.000 0.307 290 G HA3 0.769 4.613 3.960 -0.192 0.000 0.307 290 G C -2.072 172.843 174.900 0.024 0.000 1.307 290 G CA 0.252 45.363 45.100 0.019 0.000 0.790 290 G HN 0.158 nan 8.290 nan 0.000 0.503 291 P HA 0.046 nan 4.420 nan 0.000 0.228 291 P C 1.307 178.640 177.300 0.056 0.000 1.151 291 P CA 1.934 65.065 63.100 0.052 0.000 0.770 291 P CB 0.140 31.874 31.700 0.056 0.000 0.786 292 Q N -0.444 119.396 119.800 0.068 0.000 2.384 292 Q HA 0.065 4.289 4.340 -0.192 0.000 0.207 292 Q C 0.577 176.695 176.000 0.197 0.000 0.904 292 Q CA 0.420 56.288 55.803 0.108 0.000 0.933 292 Q CB -0.744 28.047 28.738 0.089 0.000 1.077 292 Q HN 0.264 nan 8.270 nan 0.000 0.522 293 D N -0.599 119.869 120.400 0.113 0.000 2.389 293 D HA 0.222 4.746 4.640 -0.192 0.000 0.247 293 D C 0.615 176.911 176.300 -0.006 0.000 1.128 293 D CA -0.813 53.231 54.000 0.074 0.000 0.884 293 D CB 0.523 41.299 40.800 -0.040 0.000 1.194 293 D HN 0.260 nan 8.370 nan 0.000 0.441 294 F N 2.969 122.658 119.950 -0.434 0.000 2.063 294 F HA -0.337 4.074 4.527 -0.192 0.000 0.298 294 F C 2.360 177.951 175.800 -0.348 0.000 1.105 294 F CA 2.143 59.753 58.000 -0.650 0.000 1.215 294 F CB 0.092 38.426 39.000 -1.111 0.000 0.972 294 F HN 0.410 nan 8.300 nan 0.000 0.483 295 R N 0.305 120.727 120.500 -0.129 0.000 2.127 295 R HA -0.163 4.061 4.340 -0.192 0.000 0.238 295 R C 1.787 178.117 176.300 0.050 0.000 1.134 295 R CA 1.947 58.060 56.100 0.021 0.000 0.975 295 R CB -1.097 29.278 30.300 0.125 0.000 0.865 295 R HN 0.418 nan 8.270 nan 0.000 0.447 296 E N 0.888 121.066 120.200 -0.037 0.000 2.285 296 E HA -0.034 4.200 4.350 -0.192 0.000 0.194 296 E C 2.084 178.681 176.600 -0.006 0.000 0.997 296 E CA 0.714 57.152 56.400 0.064 0.000 0.845 296 E CB 0.050 29.775 29.700 0.042 0.000 0.782 296 E HN 0.426 nan 8.360 nan 0.000 0.491 297 L N 0.662 121.801 121.223 -0.140 0.000 2.068 297 L HA -0.126 4.099 4.340 -0.192 0.000 0.204 297 L C 2.464 179.147 176.870 -0.311 0.000 1.076 297 L CA 0.540 55.236 54.840 -0.240 0.000 0.753 297 L CB -0.288 41.581 42.059 -0.317 0.000 0.910 297 L HN 0.144 nan 8.230 nan 0.000 0.439 298 I N 0.192 120.515 120.570 -0.411 0.000 2.127 298 I HA -0.398 3.656 4.170 -0.192 0.000 0.241 298 I C 2.954 179.037 176.117 -0.057 0.000 1.075 298 I CA 1.770 62.875 61.300 -0.325 0.000 1.334 298 I CB -0.914 36.855 38.000 -0.385 0.000 1.040 298 I HN 0.550 nan 8.210 nan 0.000 0.405 299 C N 1.413 120.764 119.300 0.085 0.000 2.413 299 C HA -0.189 4.156 4.460 -0.192 0.000 0.277 299 C C 2.681 177.725 174.990 0.089 0.000 1.265 299 C CA 1.389 60.496 59.018 0.148 0.000 1.752 299 C CB -1.484 26.413 27.740 0.261 0.000 1.998 299 C HN 0.543 nan 8.230 nan 0.000 0.489 300 N N 0.385 119.132 118.700 0.079 0.000 2.223 300 N HA -0.089 4.535 4.740 -0.192 0.000 0.185 300 N C 1.723 177.377 175.510 0.240 0.000 1.016 300 N CA 1.464 54.600 53.050 0.143 0.000 0.863 300 N CB -0.245 38.320 38.487 0.130 0.000 0.983 300 N HN 0.654 nan 8.380 nan 0.000 0.429 301 L N 1.053 122.314 121.223 0.063 0.000 2.275 301 L HA -0.066 4.158 4.340 -0.192 0.000 0.215 301 L C 2.012 178.949 176.870 0.112 0.000 1.119 301 L CA 0.608 55.455 54.840 0.013 0.000 0.790 301 L CB -0.259 41.695 42.059 -0.174 0.000 0.919 301 L HN 0.235 nan 8.230 nan 0.000 0.443 302 I N -4.433 116.163 120.570 0.044 0.000 3.875 302 I HA 0.127 4.182 4.170 -0.192 0.000 0.329 302 I C 1.209 177.470 176.117 0.240 0.000 1.295 302 I CA -0.337 60.952 61.300 -0.019 0.000 1.129 302 I CB -0.064 37.651 38.000 -0.476 0.000 1.008 302 I HN -0.034 nan 8.210 nan 0.000 0.413 303 S N 1.629 117.483 115.700 0.257 0.000 2.573 303 S HA -0.055 4.299 4.470 -0.192 0.000 0.297 303 S C 1.047 175.705 174.600 0.096 0.000 1.280 303 S CA -0.290 57.996 58.200 0.143 0.000 1.061 303 S CB 0.610 63.829 63.200 0.032 0.000 0.812 303 S HN 0.515 nan 8.310 nan 0.000 0.500 304 L N 5.448 126.597 121.223 -0.124 0.000 2.079 304 L HA -0.132 4.093 4.340 -0.192 0.000 0.210 304 L C 2.000 178.774 176.870 -0.160 0.000 1.081 304 L CA 2.628 57.277 54.840 -0.317 0.000 0.752 304 L CB -1.116 40.584 42.059 -0.598 0.000 0.896 304 L HN 0.979 nan 8.230 nan 0.000 0.433 305 N N -1.985 116.588 118.700 -0.213 0.000 2.381 305 N HA -0.253 4.372 4.740 -0.192 0.000 0.182 305 N C 1.516 176.928 175.510 -0.163 0.000 1.025 305 N CA 1.482 54.385 53.050 -0.245 0.000 0.888 305 N CB -1.080 37.192 38.487 -0.358 0.000 0.965 305 N HN 0.544 nan 8.380 nan 0.000 0.438 306 W N 0.240 121.557 121.300 0.029 0.000 2.825 306 W HA 0.119 4.662 4.660 -0.194 0.000 0.243 306 W C 1.536 178.084 176.519 0.049 0.000 1.293 306 W CA -0.529 56.850 57.345 0.058 0.000 1.403 306 W CB 0.159 29.670 29.460 0.086 0.000 1.134 306 W HN 0.078 nan 8.180 nan 0.000 0.666 307 Q N 0.381 120.317 119.800 0.227 0.000 2.436 307 Q HA -0.068 4.156 4.340 -0.192 0.000 0.209 307 Q C 2.107 178.161 176.000 0.090 0.000 0.965 307 Q CA 1.561 57.460 55.803 0.160 0.000 0.910 307 Q CB -0.471 28.346 28.738 0.132 0.000 0.980 307 Q HN 0.507 nan 8.270 nan 0.000 0.491 308 K N 0.621 121.072 120.400 0.085 0.000 2.373 308 K HA 0.032 4.237 4.320 -0.192 0.000 0.200 308 K C 0.248 176.891 176.600 0.071 0.000 1.054 308 K CA 0.253 56.568 56.287 0.047 0.000 1.065 308 K CB 0.298 32.808 32.500 0.015 0.000 0.886 308 K HN 0.135 nan 8.250 nan 0.000 0.546 309 D N 1.260 121.751 120.400 0.151 0.000 2.295 309 D HA 0.105 4.629 4.640 -0.192 0.000 0.248 309 D C -1.719 174.627 176.300 0.076 0.000 1.154 309 D CA -1.824 52.283 54.000 0.178 0.000 0.857 309 D CB 2.023 43.064 40.800 0.402 0.000 1.117 309 D HN 0.026 nan 8.370 nan 0.000 0.468 310 P HA -0.097 nan 4.420 nan 0.000 0.223 310 P C 0.415 177.646 177.300 -0.114 0.000 1.151 310 P CA 0.863 63.889 63.100 -0.122 0.000 0.787 310 P CB 0.359 31.931 31.700 -0.214 0.000 0.788 314 H N 1.056 120.222 119.070 0.159 0.000 2.457 314 H HA 0.088 4.529 4.556 -0.192 0.000 0.294 314 H C 1.700 177.198 175.328 0.284 0.000 1.064 314 H CA 1.462 57.640 56.048 0.216 0.000 1.330 314 H CB 0.089 29.949 29.762 0.162 0.000 1.395 314 H HN 0.332 nan 8.280 nan 0.000 0.541 315 C N 0.808 120.291 119.300 0.306 0.000 2.466 315 C HA 0.048 4.392 4.460 -0.192 0.000 0.278 315 C C 3.155 178.202 174.990 0.094 0.000 1.288 315 C CA 0.617 59.755 59.018 0.200 0.000 1.722 315 C CB -0.903 26.931 27.740 0.156 0.000 2.017 315 C HN 0.629 nan 8.230 nan 0.000 0.488 316 A N 1.910 124.783 122.820 0.089 0.000 1.873 316 A HA -0.253 3.952 4.320 -0.192 0.000 0.218 316 A C 1.861 179.513 177.584 0.114 0.000 1.193 316 A CA 2.386 54.451 52.037 0.047 0.000 0.629 316 A CB -0.768 18.335 19.000 0.173 0.000 0.826 316 A HN 0.643 nan 8.150 nan 0.000 0.447 317 N N -0.138 118.713 118.700 0.250 0.000 2.149 317 N HA -0.151 4.474 4.740 -0.192 0.000 0.188 317 N C 1.876 177.531 175.510 0.241 0.000 1.019 317 N CA 1.431 54.671 53.050 0.316 0.000 0.857 317 N CB -0.420 38.227 38.487 0.267 0.000 0.997 317 N HN 0.579 nan 8.380 nan 0.000 0.426 318 Q N 0.294 120.187 119.800 0.155 0.000 2.050 318 Q HA -0.044 4.180 4.340 -0.192 0.000 0.202 318 Q C 2.119 178.156 176.000 0.062 0.000 0.980 318 Q CA 0.983 56.827 55.803 0.067 0.000 0.840 318 Q CB -0.384 28.328 28.738 -0.044 0.000 0.898 318 Q HN 0.230 nan 8.270 nan 0.000 0.424 319 V N 0.540 120.463 119.914 0.016 0.000 2.515 319 V HA -0.215 3.790 4.120 -0.192 0.000 0.250 319 V C 2.009 178.197 176.094 0.157 0.000 1.058 319 V CA 1.452 63.745 62.300 -0.011 0.000 1.064 319 V CB -0.640 31.118 31.823 -0.107 0.000 0.675 319 V HN 0.156 nan 8.190 nan 0.000 0.461 320 F N 0.514 120.600 119.950 0.227 0.000 2.146 320 F HA -0.141 4.274 4.527 -0.187 0.000 0.298 320 F C 2.583 178.502 175.800 0.197 0.000 1.096 320 F CA 1.391 59.524 58.000 0.221 0.000 1.275 320 F CB -0.833 38.221 39.000 0.090 0.000 1.008 320 F HN 0.145 nan 8.300 nan 0.000 0.480 321 Q N -0.083 119.913 119.800 0.326 0.000 2.181 321 Q HA -0.183 4.041 4.340 -0.192 0.000 0.205 321 Q C 2.289 178.398 176.000 0.182 0.000 0.980 321 Q CA 1.513 57.444 55.803 0.214 0.000 0.862 321 Q CB -0.296 28.539 28.738 0.162 0.000 0.905 321 Q HN 0.448 nan 8.270 nan 0.000 0.429 322 I N -0.478 120.182 120.570 0.150 0.000 2.163 322 I HA -0.251 3.804 4.170 -0.192 0.000 0.240 322 I C 1.653 177.790 176.117 0.034 0.000 1.081 322 I CA 1.044 62.378 61.300 0.056 0.000 1.353 322 I CB -0.179 37.805 38.000 -0.028 0.000 1.054 322 I HN 0.123 nan 8.210 nan 0.000 0.407 323 F N 1.075 121.097 119.950 0.119 0.000 2.091 323 F HA -0.307 4.107 4.527 -0.188 0.000 0.299 323 F C 2.405 178.234 175.800 0.048 0.000 1.103 323 F CA 2.091 60.154 58.000 0.105 0.000 1.228 323 F CB -0.965 38.107 39.000 0.119 0.000 0.984 323 F HN 0.130 nan 8.300 nan 0.000 0.477 324 N N -0.294 118.572 118.700 0.276 0.000 2.069 324 N HA -0.195 4.430 4.740 -0.192 0.000 0.191 324 N C 1.850 177.413 175.510 0.088 0.000 1.031 324 N CA 1.848 54.991 53.050 0.156 0.000 0.852 324 N CB -0.595 37.980 38.487 0.147 0.000 1.018 324 N HN 0.236 nan 8.380 nan 0.000 0.423 325 C N -0.217 119.137 119.300 0.089 0.000 2.432 325 C HA 0.030 4.375 4.460 -0.192 0.000 0.277 325 C C 2.586 177.572 174.990 -0.006 0.000 1.249 325 C CA 0.245 59.303 59.018 0.067 0.000 1.725 325 C CB -1.156 26.662 27.740 0.130 0.000 2.028 325 C HN 0.493 nan 8.230 nan 0.000 0.477 326 I N 0.209 120.730 120.570 -0.082 0.000 2.361 326 I HA -0.105 3.950 4.170 -0.192 0.000 0.251 326 I C 1.251 177.238 176.117 -0.216 0.000 1.133 326 I CA 1.064 62.219 61.300 -0.242 0.000 1.413 326 I CB -0.272 37.385 38.000 -0.571 0.000 1.073 326 I HN 0.276 nan 8.210 nan 0.000 0.424 330 V N 1.026 120.926 119.914 -0.023 0.000 2.521 330 V HA 0.592 4.596 4.120 -0.192 0.000 0.286 330 V C 1.049 177.158 176.094 0.024 0.000 1.034 330 V CA 0.020 62.311 62.300 -0.014 0.000 1.045 330 V CB 1.525 33.321 31.823 -0.046 0.000 0.974 330 V HN 0.139 nan 8.190 nan 0.000 0.480 331 K N 2.813 123.225 120.400 0.020 0.000 2.244 331 K HA 0.129 4.333 4.320 -0.192 0.000 0.200 331 K C 1.021 177.641 176.600 0.033 0.000 1.052 331 K CA 0.356 56.660 56.287 0.030 0.000 0.980 331 K CB -0.453 32.057 32.500 0.016 0.000 0.838 331 K HN 0.831 nan 8.250 nan 0.000 0.481 332 N N 2.723 121.436 118.700 0.023 0.000 2.394 332 N HA -0.104 4.520 4.740 -0.192 0.000 0.277 332 N C 0.957 176.495 175.510 0.046 0.000 1.346 332 N CA 0.894 53.958 53.050 0.023 0.000 0.910 332 N CB 0.837 39.330 38.487 0.009 0.000 1.201 332 N HN 0.331 nan 8.380 nan 0.000 0.488 333 E N 4.345 124.570 120.200 0.042 0.000 2.160 333 E HA -0.245 3.990 4.350 -0.192 0.000 0.195 333 E C 1.743 178.376 176.600 0.054 0.000 0.991 333 E CA 1.736 58.168 56.400 0.054 0.000 0.810 333 E CB -0.374 29.347 29.700 0.035 0.000 0.742 333 E HN 0.814 nan 8.360 nan 0.000 0.466 334 K N -1.024 119.399 120.400 0.038 0.000 2.155 334 K HA 0.006 4.210 4.320 -0.192 0.000 0.203 334 K C 2.104 178.740 176.600 0.060 0.000 1.052 334 K CA 0.848 57.155 56.287 0.034 0.000 0.948 334 K CB -0.118 32.391 32.500 0.015 0.000 0.728 334 K HN 0.286 nan 8.250 nan 0.000 0.448 335 L N 1.514 122.782 121.223 0.075 0.000 2.072 335 L HA -0.056 4.168 4.340 -0.192 0.000 0.205 335 L C 2.141 179.118 176.870 0.178 0.000 1.079 335 L CA 1.481 56.388 54.840 0.111 0.000 0.752 335 L CB -0.476 41.632 42.059 0.081 0.000 0.906 335 L HN 0.105 nan 8.230 nan 0.000 0.436 336 R N -1.354 119.261 120.500 0.192 0.000 2.096 336 R HA -0.187 4.038 4.340 -0.192 0.000 0.240 336 R C 2.025 178.490 176.300 0.275 0.000 1.139 336 R CA 2.062 58.360 56.100 0.330 0.000 0.952 336 R CB -0.825 29.645 30.300 0.283 0.000 0.854 336 R HN 0.376 nan 8.270 nan 0.000 0.436 337 T N 0.432 115.053 114.554 0.112 0.000 2.777 337 T HA -0.161 4.074 4.350 -0.192 0.000 0.266 337 T C 2.208 176.899 174.700 -0.015 0.000 1.040 337 T CA 1.848 63.956 62.100 0.013 0.000 1.141 337 T CB -0.253 68.610 68.868 -0.008 0.000 0.868 337 T HN 0.603 nan 8.240 nan 0.000 0.444 338 E N 1.123 121.326 120.200 0.006 0.000 2.047 338 E HA -0.088 4.147 4.350 -0.192 0.000 0.191 338 E C 1.743 178.193 176.600 -0.250 0.000 0.987 338 E CA 1.115 57.421 56.400 -0.157 0.000 0.799 338 E CB -1.099 28.590 29.700 -0.018 0.000 0.752 338 E HN 0.496 nan 8.360 nan 0.000 0.449 339 F N 1.621 121.566 119.950 -0.009 0.000 2.069 339 F HA -0.009 4.402 4.527 -0.192 0.000 0.298 339 F C 2.746 178.669 175.800 0.205 0.000 1.113 339 F CA 1.471 59.570 58.000 0.164 0.000 1.214 339 F CB -0.848 38.273 39.000 0.202 0.000 0.978 339 F HN 0.269 nan 8.300 nan 0.000 0.474 340 A N -0.301 122.618 122.820 0.165 0.000 1.892 340 A HA -0.323 3.882 4.320 -0.192 0.000 0.218 340 A C 2.274 179.796 177.584 -0.104 0.000 1.188 340 A CA 2.058 54.042 52.037 -0.089 0.000 0.631 340 A CB -1.155 17.614 19.000 -0.386 0.000 0.822 340 A HN 0.611 nan 8.150 nan 0.000 0.447 341 Q N -1.224 118.499 119.800 -0.128 0.000 2.084 341 Q HA -0.236 3.988 4.340 -0.192 0.000 0.202 341 Q C 1.860 177.853 176.000 -0.012 0.000 0.978 341 Q CA 1.868 57.608 55.803 -0.106 0.000 0.844 341 Q CB -0.211 28.434 28.738 -0.155 0.000 0.898 341 Q HN 0.909 nan 8.270 nan 0.000 0.426 342 H N -0.773 118.349 119.070 0.086 0.000 2.387 342 H HA -0.133 4.308 4.556 -0.193 0.000 0.299 342 H C 1.707 177.153 175.328 0.196 0.000 1.090 342 H CA 0.900 57.024 56.048 0.127 0.000 1.332 342 H CB 0.244 30.127 29.762 0.202 0.000 1.386 342 H HN 0.178 nan 8.280 nan 0.000 0.516 343 L N 0.946 122.274 121.223 0.174 0.000 2.362 343 L HA -0.063 4.162 4.340 -0.192 0.000 0.219 343 L C 0.417 177.409 176.870 0.203 0.000 1.134 343 L CA 1.378 56.319 54.840 0.169 0.000 0.807 343 L CB -0.304 41.686 42.059 -0.114 0.000 0.927 343 L HN 0.099 nan 8.230 nan 0.000 0.447 344 K N 0.684 121.211 120.400 0.210 0.000 2.150 344 K HA 0.292 4.497 4.320 -0.192 0.000 0.261 344 K C -0.887 175.876 176.600 0.271 0.000 1.127 344 K CA -0.147 56.218 56.287 0.131 0.000 0.989 344 K CB -0.218 32.309 32.500 0.045 0.000 1.475 344 K HN 0.051 nan 8.250 nan 0.000 0.391 345 F N -2.036 117.933 119.950 0.031 0.000 2.631 345 F HA 0.375 4.789 4.527 -0.189 0.000 0.308 345 F C 0.882 176.717 175.800 0.057 0.000 1.097 345 F CA -1.200 56.822 58.000 0.037 0.000 0.952 345 F CB 1.102 40.132 39.000 0.051 0.000 1.307 345 F HN -0.019 nan 8.300 nan 0.000 0.450 346 E N 1.011 121.285 120.200 0.123 0.000 2.130 346 E HA -0.219 4.016 4.350 -0.192 0.000 0.196 346 E C 1.569 178.166 176.600 -0.004 0.000 0.998 346 E CA 1.634 58.079 56.400 0.074 0.000 0.806 346 E CB -0.131 29.641 29.700 0.120 0.000 0.738 346 E HN 0.781 nan 8.360 nan 0.000 0.459 347 K N 0.418 120.827 120.400 0.014 0.000 2.057 347 K HA -0.139 4.066 4.320 -0.192 0.000 0.206 347 K C 2.260 178.723 176.600 -0.228 0.000 1.050 347 K CA 0.616 56.903 56.287 -0.001 0.000 0.935 347 K CB -0.097 32.547 32.500 0.241 0.000 0.715 347 K HN -0.007 nan 8.250 nan 0.000 0.439 348 L N 0.999 121.774 121.223 -0.746 0.000 2.027 348 L HA -0.148 4.077 4.340 -0.192 0.000 0.206 348 L C 2.180 178.829 176.870 -0.368 0.000 1.074 348 L CA 1.616 56.069 54.840 -0.645 0.000 0.745 348 L CB -0.554 40.892 42.059 -1.020 0.000 0.898 348 L HN 0.157 nan 8.230 nan 0.000 0.433 349 V N -2.522 117.226 119.914 -0.277 0.000 2.427 349 V HA -0.032 3.972 4.120 -0.192 0.000 0.248 349 V C 2.347 178.474 176.094 0.056 0.000 1.051 349 V CA 1.618 63.895 62.300 -0.039 0.000 1.048 349 V CB -2.071 29.907 31.823 0.259 0.000 0.666 349 V HN 0.424 nan 8.190 nan 0.000 0.456 350 G N -0.157 108.663 108.800 0.034 0.000 2.422 350 G HA2 -0.161 3.683 3.960 -0.192 0.000 0.218 350 G HA3 -0.161 3.683 3.960 -0.192 0.000 0.218 350 G C 1.543 176.456 174.900 0.022 0.000 1.140 350 G CA 1.385 46.519 45.100 0.056 0.000 0.775 350 G HN 0.504 nan 8.290 nan 0.000 0.545 351 T N 1.199 115.741 114.554 -0.021 0.000 2.812 351 T HA 0.044 4.278 4.350 -0.192 0.000 0.264 351 T C 2.442 177.180 174.700 0.064 0.000 1.042 351 T CA 0.603 62.707 62.100 0.007 0.000 1.140 351 T CB -0.154 68.712 68.868 -0.003 0.000 0.870 351 T HN 0.137 nan 8.240 nan 0.000 0.445 352 L N 0.824 122.023 121.223 -0.039 0.000 2.017 352 L HA -0.090 4.135 4.340 -0.192 0.000 0.208 352 L C 2.776 179.632 176.870 -0.023 0.000 1.073 352 L CA 1.075 55.856 54.840 -0.098 0.000 0.745 352 L CB -0.633 41.135 42.059 -0.486 0.000 0.894 352 L HN 0.213 nan 8.230 nan 0.000 0.432 353 S N -0.726 115.030 115.700 0.093 0.000 2.442 353 S HA -0.204 4.150 4.470 -0.192 0.000 0.236 353 S C 1.803 176.419 174.600 0.027 0.000 1.007 353 S CA 1.013 59.282 58.200 0.115 0.000 0.965 353 S CB -0.170 63.153 63.200 0.205 0.000 0.773 353 S HN 0.395 nan 8.310 nan 0.000 0.504 354 E N 0.170 120.371 120.200 0.001 0.000 2.204 354 E HA -0.158 4.077 4.350 -0.192 0.000 0.195 354 E C 1.059 177.572 176.600 -0.146 0.000 0.990 354 E CA 0.945 57.303 56.400 -0.069 0.000 0.821 354 E CB -0.136 29.495 29.700 -0.115 0.000 0.750 354 E HN 0.656 nan 8.360 nan 0.000 0.477 355 Y N -1.336 118.827 120.300 -0.227 0.000 2.497 355 Y HA -0.128 4.304 4.550 -0.197 0.000 0.292 355 Y C 0.978 176.765 175.900 -0.188 0.000 1.137 355 Y CA 0.488 58.427 58.100 -0.269 0.000 1.285 355 Y CB 0.193 38.385 38.460 -0.447 0.000 0.991 355 Y HN 0.132 nan 8.280 nan 0.000 0.556 356 F N -0.809 119.184 119.950 0.072 0.000 2.693 356 F HA 0.141 4.576 4.527 -0.152 0.000 0.303 356 F C 0.429 176.216 175.800 -0.022 0.000 1.097 356 F CA -1.025 56.971 58.000 -0.008 0.000 1.330 356 F CB -0.827 38.126 39.000 -0.078 0.000 1.067 356 F HN -0.155 nan 8.300 nan 0.000 0.565 357 N N 2.921 121.695 118.700 0.124 0.000 2.492 357 N HA 0.032 4.656 4.740 -0.192 0.000 0.260 357 N C -1.261 174.278 175.510 0.048 0.000 1.215 357 N CA -1.197 51.888 53.050 0.058 0.000 0.923 357 N CB 0.393 38.885 38.487 0.009 0.000 1.092 357 N HN -0.032 nan 8.380 nan 0.000 0.448 358 P HA -0.135 nan 4.420 nan 0.000 0.220 358 P C 0.714 178.020 177.300 0.011 0.000 1.148 358 P CA 1.486 64.595 63.100 0.015 0.000 0.803 358 P CB 0.197 31.899 31.700 0.003 0.000 0.782 359 Q N -0.050 119.755 119.800 0.009 0.000 2.403 359 Q HA 0.210 4.434 4.340 -0.192 0.000 0.203 359 Q C 1.089 177.101 176.000 0.020 0.000 0.932 359 Q CA 0.414 56.222 55.803 0.009 0.000 0.945 359 Q CB -0.786 27.952 28.738 -0.000 0.000 1.045 359 Q HN 0.171 nan 8.270 nan 0.000 0.511 360 V N 1.902 121.831 119.914 0.026 0.000 2.465 360 V HA 0.187 4.191 4.120 -0.192 0.000 0.279 360 V C 0.210 176.359 176.094 0.093 0.000 1.045 360 V CA -1.043 61.285 62.300 0.047 0.000 0.938 360 V CB 1.085 32.919 31.823 0.020 0.000 0.986 360 V HN 0.682 nan 8.190 nan 0.000 0.467 361 H N 8.537 127.624 119.070 0.028 0.000 2.975 361 H HA 0.124 4.570 4.556 -0.184 0.000 0.303 361 H C -1.465 173.911 175.328 0.080 0.000 1.023 361 H CA -1.580 54.494 56.048 0.042 0.000 1.473 361 H CB 1.769 31.548 29.762 0.028 0.000 1.498 361 H HN 0.435 nan 8.280 nan 0.000 0.549 362 P HA -0.081 nan 4.420 nan 0.000 0.223 362 P C 0.833 178.336 177.300 0.339 0.000 1.144 362 P CA 0.539 63.709 63.100 0.117 0.000 0.783 362 P CB 0.027 31.716 31.700 -0.018 0.000 0.771 366 N N 7.488 126.039 118.700 -0.250 0.000 2.483 366 N HA 0.165 4.790 4.740 -0.192 0.000 0.264 366 N C -1.701 173.636 175.510 -0.288 0.000 1.197 366 N CA -1.084 51.746 53.050 -0.367 0.000 0.927 366 N CB 1.650 39.557 38.487 -0.967 0.000 1.065 366 N HN 0.243 nan 8.380 nan 0.000 0.461 367 P HA -0.134 nan 4.420 nan 0.000 0.217 367 P C 0.743 178.061 177.300 0.031 0.000 1.148 367 P CA 1.341 64.496 63.100 0.091 0.000 0.828 367 P CB 0.112 31.857 31.700 0.075 0.000 0.783 368 A N -1.014 121.710 122.820 -0.161 0.000 2.019 368 A HA -0.179 4.025 4.320 -0.192 0.000 0.219 368 A C 2.053 179.531 177.584 -0.177 0.000 1.164 368 A CA 1.239 53.206 52.037 -0.116 0.000 0.644 368 A CB -1.590 17.383 19.000 -0.045 0.000 0.805 368 A HN 0.123 nan 8.150 nan 0.000 0.449 369 I N -1.470 118.849 120.570 -0.417 0.000 2.194 369 I HA -0.292 3.762 4.170 -0.192 0.000 0.246 369 I C 2.118 178.130 176.117 -0.175 0.000 1.093 369 I CA 1.551 62.598 61.300 -0.421 0.000 1.355 369 I CB -0.403 37.172 38.000 -0.708 0.000 1.046 369 I HN 0.361 nan 8.210 nan 0.000 0.413 370 F N -0.339 119.643 119.950 0.053 0.000 2.206 370 F HA -0.162 4.247 4.527 -0.197 0.000 0.298 370 F C 2.318 178.186 175.800 0.113 0.000 1.090 370 F CA 0.920 58.997 58.000 0.128 0.000 1.323 370 F CB -0.555 38.478 39.000 0.054 0.000 1.028 370 F HN -0.054 nan 8.300 nan 0.000 0.492 371 I N 0.135 120.844 120.570 0.231 0.000 2.208 371 I HA -0.283 3.772 4.170 -0.192 0.000 0.245 371 I C 2.344 178.560 176.117 0.164 0.000 1.097 371 I CA 1.700 63.104 61.300 0.173 0.000 1.363 371 I CB -1.198 36.874 38.000 0.120 0.000 1.051 371 I HN 0.157 nan 8.210 nan 0.000 0.413 372 I N -0.438 120.171 120.570 0.065 0.000 2.233 372 I HA -0.264 3.790 4.170 -0.192 0.000 0.243 372 I C 2.475 178.614 176.117 0.038 0.000 1.093 372 I CA 1.114 62.402 61.300 -0.020 0.000 1.380 372 I CB -0.479 37.328 38.000 -0.321 0.000 1.067 372 I HN -0.042 nan 8.210 nan 0.000 0.413 373 F N 1.204 121.156 119.950 0.003 0.000 2.091 373 F HA -0.260 4.162 4.527 -0.175 0.000 0.299 373 F C 2.766 178.618 175.800 0.088 0.000 1.103 373 F CA 1.827 59.831 58.000 0.005 0.000 1.228 373 F CB -0.567 38.392 39.000 -0.068 0.000 0.984 373 F HN -0.054 nan 8.300 nan 0.000 0.477 374 R N -0.605 120.090 120.500 0.324 0.000 2.105 374 R HA -0.239 3.986 4.340 -0.192 0.000 0.239 374 R C 2.302 178.743 176.300 0.236 0.000 1.135 374 R CA 1.754 58.001 56.100 0.246 0.000 0.967 374 R CB -0.744 29.689 30.300 0.221 0.000 0.861 374 R HN 0.300 nan 8.270 nan 0.000 0.442 375 F N 1.637 121.650 119.950 0.106 0.000 2.146 375 F HA -0.083 4.327 4.527 -0.195 0.000 0.298 375 F C 1.889 177.728 175.800 0.066 0.000 1.096 375 F CA 1.603 59.652 58.000 0.083 0.000 1.275 375 F CB -0.133 38.917 39.000 0.084 0.000 1.008 375 F HN 0.114 nan 8.300 nan 0.000 0.480 376 I N -1.954 118.648 120.570 0.053 0.000 2.617 376 I HA -0.048 4.007 4.170 -0.192 0.000 0.256 376 I C 1.968 178.105 176.117 0.033 0.000 1.167 376 I CA 1.281 62.558 61.300 -0.038 0.000 1.469 376 I CB -0.622 37.410 38.000 0.055 0.000 1.098 376 I HN 0.099 nan 8.210 nan 0.000 0.436 377 I N 0.975 121.630 120.570 0.141 0.000 2.716 377 I HA -0.054 4.000 4.170 -0.192 0.000 0.259 377 I C 1.508 177.659 176.117 0.057 0.000 1.172 377 I CA 0.233 61.640 61.300 0.178 0.000 1.478 377 I CB 0.088 38.249 38.000 0.269 0.000 1.104 377 I HN 0.201 nan 8.210 nan 0.000 0.439 378 S N 2.717 118.420 115.700 0.005 0.000 2.596 378 S HA -0.095 4.259 4.470 -0.192 0.000 0.298 378 S C 0.986 175.553 174.600 -0.054 0.000 1.255 378 S CA -0.053 58.132 58.200 -0.025 0.000 1.083 378 S CB -0.316 62.852 63.200 -0.053 0.000 0.837 378 S HN 0.508 nan 8.310 nan 0.000 0.499 379 K N 2.340 122.722 120.400 -0.030 0.000 3.003 379 K HA -0.244 3.960 4.320 -0.192 0.000 0.257 379 K C -0.817 175.752 176.600 -0.052 0.000 0.958 379 K CA 1.539 57.803 56.287 -0.039 0.000 0.707 379 K CB -1.717 30.763 32.500 -0.035 0.000 1.279 379 K HN 0.548 nan 8.250 nan 0.000 0.479 380 D N 1.106 121.477 120.400 -0.049 0.000 2.517 380 D HA 0.148 4.672 4.640 -0.192 0.000 0.301 380 D C 0.648 176.909 176.300 -0.065 0.000 1.202 380 D CA 0.017 53.985 54.000 -0.052 0.000 0.910 380 D CB 0.730 41.504 40.800 -0.044 0.000 1.021 380 D HN 0.277 nan 8.370 nan 0.000 0.499 381 T N 0.490 114.978 114.554 -0.110 0.000 2.714 381 T HA -0.261 3.973 4.350 -0.192 0.000 0.268 381 T C 1.839 176.456 174.700 -0.139 0.000 1.036 381 T CA 1.138 63.102 62.100 -0.226 0.000 1.148 381 T CB 0.007 68.740 68.868 -0.225 0.000 0.856 381 T HN 0.408 nan 8.240 nan 0.000 0.462 382 R N 0.393 120.859 120.500 -0.057 0.000 2.092 382 R HA 0.112 4.337 4.340 -0.192 0.000 0.231 382 R C 2.342 178.650 176.300 0.015 0.000 1.119 382 R CA 0.801 56.898 56.100 -0.005 0.000 0.970 382 R CB -0.623 29.663 30.300 -0.024 0.000 0.864 382 R HN 0.275 nan 8.270 nan 0.000 0.440 383 L N 1.716 122.923 121.223 -0.027 0.000 2.131 383 L HA -0.043 4.181 4.340 -0.192 0.000 0.206 383 L C 1.979 178.839 176.870 -0.016 0.000 1.087 383 L CA 1.625 56.414 54.840 -0.085 0.000 0.767 383 L CB -0.197 41.800 42.059 -0.102 0.000 0.917 383 L HN -0.022 nan 8.230 nan 0.000 0.441 384 K N -0.397 120.068 120.400 0.108 0.000 2.034 384 K HA -0.234 3.971 4.320 -0.192 0.000 0.214 384 K C 1.728 178.470 176.600 0.238 0.000 1.051 384 K CA 1.943 58.354 56.287 0.208 0.000 0.931 384 K CB -0.389 32.166 32.500 0.092 0.000 0.715 384 K HN 0.303 nan 8.250 nan 0.000 0.446 385 D N -0.321 120.237 120.400 0.264 0.000 2.144 385 D HA -0.153 4.372 4.640 -0.192 0.000 0.200 385 D C 1.696 178.222 176.300 0.377 0.000 0.978 385 D CA 0.847 55.103 54.000 0.426 0.000 0.833 385 D CB -0.221 40.859 40.800 0.467 0.000 0.961 385 D HN 0.204 nan 8.370 nan 0.000 0.470 386 Y N 0.334 120.694 120.300 0.101 0.000 2.200 386 Y HA -0.184 4.253 4.550 -0.188 0.000 0.290 386 Y C 1.844 177.768 175.900 0.039 0.000 1.137 386 Y CA 1.204 59.316 58.100 0.020 0.000 1.163 386 Y CB -0.517 37.850 38.460 -0.155 0.000 0.988 386 Y HN -0.157 nan 8.280 nan 0.000 0.518 387 F N -0.062 119.864 119.950 -0.040 0.000 2.171 387 F HA -0.195 4.222 4.527 -0.183 0.000 0.300 387 F C 2.300 177.966 175.800 -0.224 0.000 1.090 387 F CA 1.334 59.237 58.000 -0.162 0.000 1.293 387 F CB -0.899 38.079 39.000 -0.037 0.000 1.013 387 F HN 0.069 nan 8.300 nan 0.000 0.486 388 I N -2.498 118.043 120.570 -0.049 0.000 2.277 388 I HA -0.245 3.810 4.170 -0.192 0.000 0.243 388 I C 1.795 177.623 176.117 -0.481 0.000 1.094 388 I CA 1.428 62.480 61.300 -0.413 0.000 1.393 388 I CB -0.324 37.232 38.000 -0.740 0.000 1.078 388 I HN 0.104 nan 8.210 nan 0.000 0.417 389 W N -0.583 120.706 121.300 -0.018 0.000 2.842 389 W HA 0.249 4.804 4.660 -0.176 0.000 0.267 389 W C 0.634 177.161 176.519 0.013 0.000 1.219 389 W CA -0.217 57.128 57.345 -0.001 0.000 1.458 389 W CB -0.053 29.419 29.460 0.020 0.000 1.006 389 W HN -0.022 nan 8.180 nan 0.000 0.603 390 N N 1.510 120.299 118.700 0.148 0.000 2.740 390 N HA -0.280 4.345 4.740 -0.192 0.000 0.248 390 N C -0.502 175.158 175.510 0.250 0.000 1.062 390 N CA 1.003 54.105 53.050 0.086 0.000 0.704 390 N CB -1.696 36.805 38.487 0.024 0.000 0.968 390 N HN 0.424 nan 8.380 nan 0.000 0.547 391 N N -1.727 117.171 118.700 0.330 0.000 2.708 391 N HA -0.215 4.410 4.740 -0.192 0.000 0.251 391 N C -0.496 175.129 175.510 0.191 0.000 1.123 391 N CA 1.117 54.319 53.050 0.253 0.000 0.739 391 N CB -0.738 37.873 38.487 0.207 0.000 1.113 391 N HN 0.539 nan 8.380 nan 0.000 0.561 392 N N 0.345 119.190 118.700 0.242 0.000 2.463 392 N HA 0.375 4.999 4.740 -0.192 0.000 0.270 392 N C -2.495 173.094 175.510 0.132 0.000 1.205 392 N CA -1.259 51.906 53.050 0.192 0.000 0.974 392 N CB 0.641 39.272 38.487 0.240 0.000 1.197 392 N HN -0.070 nan 8.380 nan 0.000 0.504 393 P HA 0.060 nan 4.420 nan 0.000 0.271 393 P C -0.211 176.976 177.300 -0.187 0.000 1.220 393 P CA 0.319 63.373 63.100 -0.078 0.000 0.768 393 P CB 0.280 31.950 31.700 -0.049 0.000 0.848 394 H N 1.082 119.739 119.070 -0.687 0.000 2.561 394 H HA -0.117 4.326 4.556 -0.188 0.000 0.278 394 H C 0.831 175.845 175.328 -0.523 0.000 1.014 394 H CA 0.887 56.202 56.048 -1.223 0.000 1.211 394 H CB 0.017 29.180 29.762 -0.997 0.000 1.365 394 H HN 0.581 nan 8.280 nan 0.000 0.594 395 D N -0.444 119.882 120.400 -0.123 0.000 2.327 395 D HA -0.056 4.469 4.640 -0.192 0.000 0.205 395 D C 0.846 177.181 176.300 0.059 0.000 0.989 395 D CA 0.063 54.057 54.000 -0.010 0.000 0.873 395 D CB 0.118 40.904 40.800 -0.023 0.000 0.955 395 D HN 0.132 nan 8.370 nan 0.000 0.515 396 Q N 0.623 120.470 119.800 0.079 0.000 2.396 396 Q HA 0.289 4.514 4.340 -0.192 0.000 0.221 396 Q C -2.244 173.889 176.000 0.221 0.000 1.025 396 Q CA -1.651 54.228 55.803 0.127 0.000 0.946 396 Q CB 0.147 28.955 28.738 0.117 0.000 1.224 396 Q HN 0.123 nan 8.270 nan 0.000 0.539 397 P HA 0.149 nan 4.420 nan 0.000 0.271 397 P C -2.401 175.004 177.300 0.176 0.000 1.220 397 P CA -1.085 62.100 63.100 0.142 0.000 0.768 397 P CB -0.268 31.475 31.700 0.072 0.000 0.848 398 P HA 0.071 nan 4.420 nan 0.000 0.264 398 P C -2.329 174.970 177.300 -0.001 0.000 1.183 398 P CA -0.590 62.495 63.100 -0.024 0.000 0.763 398 P CB -0.868 30.648 31.700 -0.307 0.000 0.807 399 P HA 0.081 nan 4.420 nan 0.000 0.271 399 P C -1.688 175.603 177.300 -0.016 0.000 1.216 399 P CA -1.410 61.707 63.100 0.028 0.000 0.776 399 P CB -0.298 31.434 31.700 0.052 0.000 0.881 400 P HA -0.191 nan 4.420 nan 0.000 0.220 400 P C 0.968 178.261 177.300 -0.013 0.000 1.144 400 P CA 1.699 64.791 63.100 -0.014 0.000 0.800 400 P CB -0.646 31.053 31.700 -0.002 0.000 0.772 401 T N -3.570 110.980 114.554 -0.006 0.000 3.055 401 T HA 0.147 4.381 4.350 -0.192 0.000 0.265 401 T C 1.326 176.013 174.700 -0.022 0.000 1.111 401 T CA 0.400 62.499 62.100 -0.002 0.000 1.118 401 T CB -0.707 68.166 68.868 0.008 0.000 0.909 401 T HN 0.088 nan 8.240 nan 0.000 0.501 402 G N 0.377 109.145 108.800 -0.053 0.000 2.562 402 G HA2 0.527 4.372 3.960 -0.192 0.000 0.275 402 G HA3 0.527 4.372 3.960 -0.192 0.000 0.275 402 G C 0.515 175.344 174.900 -0.120 0.000 1.196 402 G CA -0.807 44.236 45.100 -0.094 0.000 0.908 402 G HN 0.319 nan 8.290 nan 0.000 0.524 403 L N 0.373 121.500 121.223 -0.160 0.000 2.478 403 L HA 0.090 4.314 4.340 -0.192 0.000 0.223 403 L C 2.505 179.234 176.870 -0.234 0.000 1.140 403 L CA 0.219 54.916 54.840 -0.238 0.000 0.842 403 L CB -0.195 41.656 42.059 -0.347 0.000 0.953 403 L HN 0.531 nan 8.230 nan 0.000 0.452 404 I N -0.349 120.102 120.570 -0.200 0.000 2.193 404 I HA -0.269 3.785 4.170 -0.192 0.000 0.240 404 I C 2.329 178.386 176.117 -0.100 0.000 1.084 404 I CA 0.988 62.212 61.300 -0.127 0.000 1.365 404 I CB -0.070 37.847 38.000 -0.139 0.000 1.064 404 I HN 0.136 nan 8.210 nan 0.000 0.410 405 I N 1.049 121.551 120.570 -0.114 0.000 2.226 405 I HA -0.251 3.804 4.170 -0.192 0.000 0.245 405 I C 2.428 178.492 176.117 -0.089 0.000 1.100 405 I CA 1.642 62.889 61.300 -0.089 0.000 1.374 405 I CB -1.188 36.769 38.000 -0.071 0.000 1.057 405 I HN 0.255 nan 8.210 nan 0.000 0.413 406 K N 0.629 120.966 120.400 -0.106 0.000 2.002 406 K HA -0.098 4.107 4.320 -0.192 0.000 0.209 406 K C 2.198 178.687 176.600 -0.186 0.000 1.048 406 K CA 1.119 57.343 56.287 -0.104 0.000 0.930 406 K CB -0.229 32.228 32.500 -0.071 0.000 0.714 406 K HN 0.246 nan 8.250 nan 0.000 0.438 407 L N 1.369 122.419 121.223 -0.288 0.000 2.131 407 L HA -0.191 4.033 4.340 -0.192 0.000 0.210 407 L C 1.896 178.663 176.870 -0.171 0.000 1.092 407 L CA 0.838 55.473 54.840 -0.342 0.000 0.759 407 L CB -0.581 41.247 42.059 -0.385 0.000 0.903 407 L HN 0.235 nan 8.230 nan 0.000 0.435 408 N N 0.586 119.231 118.700 -0.091 0.000 2.120 408 N HA -0.151 4.474 4.740 -0.192 0.000 0.188 408 N C 1.888 177.358 175.510 -0.065 0.000 1.024 408 N CA 1.597 54.617 53.050 -0.050 0.000 0.852 408 N CB -0.295 38.159 38.487 -0.055 0.000 1.003 408 N HN 0.298 nan 8.380 nan 0.000 0.424 409 A N 1.089 123.867 122.820 -0.069 0.000 1.969 409 A HA 0.030 4.234 4.320 -0.192 0.000 0.218 409 A C 1.375 178.931 177.584 -0.047 0.000 1.169 409 A CA 0.488 52.495 52.037 -0.050 0.000 0.635 409 A CB -0.479 18.498 19.000 -0.037 0.000 0.810 409 A HN 0.050 nan 8.150 nan 0.000 0.445 413 G N 1.550 110.340 108.800 -0.017 0.000 2.476 413 G HA2 -0.231 3.613 3.960 -0.192 0.000 0.218 413 G HA3 -0.231 3.613 3.960 -0.192 0.000 0.218 413 G C 1.538 176.391 174.900 -0.078 0.000 1.164 413 G CA 1.746 46.817 45.100 -0.049 0.000 0.768 413 G HN 0.410 nan 8.290 nan 0.000 0.560 414 S N -0.234 115.421 115.700 -0.074 0.000 2.368 414 S HA -0.145 4.209 4.470 -0.192 0.000 0.225 414 S C 1.974 176.520 174.600 -0.091 0.000 1.030 414 S CA 1.257 59.397 58.200 -0.100 0.000 0.999 414 S CB -0.476 62.656 63.200 -0.113 0.000 0.844 414 S HN 0.520 nan 8.310 nan 0.000 0.459 415 Y N 2.559 122.779 120.300 -0.134 0.000 2.128 415 Y HA -0.129 4.308 4.550 -0.188 0.000 0.284 415 Y C 2.365 178.217 175.900 -0.080 0.000 1.154 415 Y CA 1.467 59.501 58.100 -0.111 0.000 1.149 415 Y CB -0.357 38.060 38.460 -0.071 0.000 0.976 415 Y HN 0.040 nan 8.280 nan 0.000 0.505 416 R N -0.167 120.233 120.500 -0.166 0.000 2.117 416 R HA -0.203 4.021 4.340 -0.192 0.000 0.243 416 R C 2.230 178.392 176.300 -0.231 0.000 1.143 416 R CA 1.947 57.925 56.100 -0.204 0.000 0.968 416 R CB -0.489 29.763 30.300 -0.080 0.000 0.863 416 R HN 0.416 nan 8.270 nan 0.000 0.444 417 L N 0.331 121.437 121.223 -0.196 0.000 2.240 417 L HA -0.054 4.170 4.340 -0.192 0.000 0.211 417 L C 2.216 178.986 176.870 -0.167 0.000 1.106 417 L CA 0.805 55.555 54.840 -0.149 0.000 0.793 417 L CB -0.171 41.813 42.059 -0.126 0.000 0.927 417 L HN 0.307 nan 8.230 nan 0.000 0.446 418 I N -4.424 115.986 120.570 -0.267 0.000 3.645 418 I HA 0.195 4.249 4.170 -0.192 0.000 0.300 418 I C 2.484 178.460 176.117 -0.236 0.000 1.260 418 I CA 0.551 61.677 61.300 -0.290 0.000 1.365 418 I CB -0.276 37.429 38.000 -0.492 0.000 1.077 418 I HN -0.049 nan 8.210 nan 0.000 0.439 419 A N 2.214 124.804 122.820 -0.383 0.000 1.892 419 A HA -0.097 4.108 4.320 -0.192 0.000 0.218 419 A C 2.160 179.739 177.584 -0.009 0.000 1.188 419 A CA 1.964 53.794 52.037 -0.343 0.000 0.631 419 A CB -1.480 17.108 19.000 -0.688 0.000 0.822 419 A HN 0.572 nan 8.150 nan 0.000 0.447 420 G N -1.502 107.282 108.800 -0.028 0.000 3.383 420 G HA2 0.367 4.211 3.960 -0.192 0.000 0.251 420 G HA3 0.367 4.211 3.960 -0.192 0.000 0.251 420 G C 0.280 175.216 174.900 0.058 0.000 1.203 420 G CA 0.092 45.207 45.100 0.024 0.000 0.852 420 G HN 0.488 nan 8.290 nan 0.000 0.531 421 Q N 0.828 120.701 119.800 0.121 0.000 2.290 421 Q HA 0.281 4.505 4.340 -0.192 0.000 0.259 421 Q C -0.234 175.874 176.000 0.180 0.000 0.941 421 Q CA -0.777 55.102 55.803 0.127 0.000 0.912 421 Q CB 0.860 29.658 28.738 0.099 0.000 1.244 421 Q HN 0.168 nan 8.270 nan 0.000 0.441 422 N N 5.609 124.370 118.700 0.102 0.000 2.429 422 N HA 0.026 4.651 4.740 -0.192 0.000 0.271 422 N C -1.876 173.694 175.510 0.100 0.000 1.272 422 N CA -1.403 51.690 53.050 0.072 0.000 0.921 422 N CB 0.952 39.465 38.487 0.043 0.000 1.128 422 N HN 0.474 nan 8.380 nan 0.000 0.481 423 P HA -0.124 nan 4.420 nan 0.000 0.223 423 P C 0.501 177.842 177.300 0.068 0.000 1.144 423 P CA 0.948 64.108 63.100 0.100 0.000 0.783 423 P CB 0.476 32.155 31.700 -0.034 0.000 0.771 424 E N -0.081 120.143 120.200 0.040 0.000 2.150 424 E HA -0.111 4.124 4.350 -0.192 0.000 0.193 424 E C 1.938 178.562 176.600 0.040 0.000 0.985 424 E CA 1.806 58.225 56.400 0.032 0.000 0.814 424 E CB -1.179 28.533 29.700 0.020 0.000 0.752 424 E HN 0.427 nan 8.360 nan 0.000 0.466 425 T N -0.451 114.133 114.554 0.049 0.000 3.113 425 T HA -0.069 4.166 4.350 -0.192 0.000 0.263 425 T C 1.873 176.605 174.700 0.052 0.000 1.143 425 T CA 0.256 62.384 62.100 0.047 0.000 1.090 425 T CB -0.175 68.722 68.868 0.048 0.000 0.922 425 T HN -0.031 nan 8.240 nan 0.000 0.521 426 L N 2.801 124.063 121.223 0.065 0.000 2.010 426 L HA -0.012 4.212 4.340 -0.192 0.000 0.219 426 L C -0.782 176.119 176.870 0.051 0.000 1.077 426 L CA 2.114 56.995 54.840 0.068 0.000 0.773 426 L CB -1.493 40.615 42.059 0.082 0.000 0.892 426 L HN 0.201 nan 8.230 nan 0.000 0.436 427 P HA -0.152 nan 4.420 nan 0.000 0.221 427 P C 0.617 177.937 177.300 0.032 0.000 1.145 427 P CA 1.347 64.468 63.100 0.036 0.000 0.795 427 P CB -0.040 31.678 31.700 0.030 0.000 0.775 428 Q N -1.675 118.145 119.800 0.033 0.000 2.141 428 Q HA 0.168 4.393 4.340 -0.192 0.000 0.248 428 Q C -0.109 175.910 176.000 0.032 0.000 0.834 428 Q CA -0.144 55.676 55.803 0.029 0.000 1.096 428 Q CB 0.166 28.919 28.738 0.025 0.000 1.189 428 Q HN 0.007 nan 8.270 nan 0.000 0.471 429 N N 1.099 119.822 118.700 0.038 0.000 2.790 429 N HA 0.155 4.779 4.740 -0.192 0.000 0.256 429 N C -2.161 173.376 175.510 0.045 0.000 1.409 429 N CA -1.882 51.192 53.050 0.040 0.000 0.799 429 N CB 1.199 39.714 38.487 0.046 0.000 1.170 429 N HN -0.013 nan 8.380 nan 0.000 0.507 430 P HA -0.069 nan 4.420 nan 0.000 0.221 430 P C 0.746 178.089 177.300 0.071 0.000 1.150 430 P CA 0.995 64.126 63.100 0.051 0.000 0.800 430 P CB 0.810 32.531 31.700 0.036 0.000 0.787 431 E N -0.372 119.862 120.200 0.057 0.000 2.051 431 E HA -0.154 4.080 4.350 -0.192 0.000 0.192 431 E C 2.007 178.661 176.600 0.090 0.000 0.991 431 E CA 0.676 57.122 56.400 0.076 0.000 0.799 431 E CB -0.619 29.113 29.700 0.053 0.000 0.748 431 E HN 0.087 nan 8.360 nan 0.000 0.449 432 L N 1.157 122.411 121.223 0.051 0.000 1.994 432 L HA -0.136 4.089 4.340 -0.192 0.000 0.208 432 L C 2.214 179.091 176.870 0.013 0.000 1.071 432 L CA 2.232 57.080 54.840 0.013 0.000 0.745 432 L CB -0.908 41.166 42.059 0.025 0.000 0.892 432 L HN 0.055 nan 8.230 nan 0.000 0.431 433 A N -1.297 121.551 122.820 0.047 0.000 1.940 433 A HA -0.315 3.889 4.320 -0.192 0.000 0.219 433 A C 2.440 180.048 177.584 0.040 0.000 1.176 433 A CA 1.912 53.975 52.037 0.043 0.000 0.631 433 A CB -1.197 17.837 19.000 0.057 0.000 0.814 433 A HN 0.790 nan 8.150 nan 0.000 0.446 434 H N -0.109 118.956 119.070 -0.008 0.000 2.357 434 H HA -0.018 4.430 4.556 -0.180 0.000 0.301 434 H C 1.892 177.207 175.328 -0.023 0.000 1.082 434 H CA 1.790 57.835 56.048 -0.004 0.000 1.342 434 H CB -0.151 29.621 29.762 0.017 0.000 1.389 434 H HN 0.434 nan 8.280 nan 0.000 0.511 435 L N 0.291 121.466 121.223 -0.080 0.000 2.093 435 L HA -0.144 4.081 4.340 -0.192 0.000 0.208 435 L C 2.826 179.568 176.870 -0.214 0.000 1.085 435 L CA 0.670 55.415 54.840 -0.158 0.000 0.755 435 L CB -0.284 41.729 42.059 -0.077 0.000 0.904 435 L HN 0.240 nan 8.230 nan 0.000 0.435 436 I N -0.626 119.837 120.570 -0.178 0.000 2.179 436 I HA -0.289 3.766 4.170 -0.192 0.000 0.242 436 I C 2.680 178.686 176.117 -0.185 0.000 1.088 436 I CA 1.097 62.298 61.300 -0.165 0.000 1.357 436 I CB -0.255 37.689 38.000 -0.092 0.000 1.051 436 I HN 0.341 nan 8.210 nan 0.000 0.409 437 Q N 0.107 119.791 119.800 -0.193 0.000 2.124 437 Q HA -0.125 4.100 4.340 -0.192 0.000 0.202 437 Q C 2.486 178.275 176.000 -0.351 0.000 0.977 437 Q CA 1.259 56.926 55.803 -0.228 0.000 0.850 437 Q CB -0.548 28.088 28.738 -0.170 0.000 0.901 437 Q HN 0.410 nan 8.270 nan 0.000 0.429 438 V N 1.118 120.803 119.914 -0.381 0.000 2.343 438 V HA -0.246 3.759 4.120 -0.192 0.000 0.247 438 V C 2.289 178.128 176.094 -0.425 0.000 1.051 438 V CA 1.427 63.519 62.300 -0.347 0.000 1.036 438 V CB -0.514 31.179 31.823 -0.216 0.000 0.654 438 V HN 0.249 nan 8.190 nan 0.000 0.451 439 I N -0.490 119.833 120.570 -0.411 0.000 2.202 439 I HA -0.235 3.819 4.170 -0.192 0.000 0.242 439 I C 2.266 177.909 176.117 -0.789 0.000 1.091 439 I CA 1.731 62.673 61.300 -0.597 0.000 1.368 439 I CB -0.313 37.403 38.000 -0.473 0.000 1.058 439 I HN 0.207 nan 8.210 nan 0.000 0.410 440 I N 0.314 120.610 120.570 -0.457 0.000 2.226 440 I HA -0.283 3.771 4.170 -0.192 0.000 0.245 440 I C 2.658 178.584 176.117 -0.319 0.000 1.100 440 I CA 1.475 62.629 61.300 -0.244 0.000 1.374 440 I CB -0.339 37.593 38.000 -0.114 0.000 1.057 440 I HN 0.145 nan 8.210 nan 0.000 0.413 441 R N -0.205 119.960 120.500 -0.557 0.000 2.148 441 R HA -0.070 4.155 4.340 -0.192 0.000 0.223 441 R C 2.268 178.090 176.300 -0.797 0.000 1.088 441 R CA 1.499 57.129 56.100 -0.783 0.000 0.985 441 R CB -0.305 29.189 30.300 -1.344 0.000 0.880 441 R HN 0.320 nan 8.270 nan 0.000 0.451 442 T N 0.817 114.935 114.554 -0.728 0.000 2.777 442 T HA -0.104 4.131 4.350 -0.192 0.000 0.266 442 T C 1.267 175.846 174.700 -0.202 0.000 1.040 442 T CA 1.148 63.030 62.100 -0.364 0.000 1.141 442 T CB -0.200 68.454 68.868 -0.356 0.000 0.868 442 T HN 0.033 nan 8.240 nan 0.000 0.444 443 F N 2.154 121.980 119.950 -0.207 0.000 2.069 443 F HA -0.104 4.385 4.527 -0.062 0.000 0.298 443 F C 2.505 178.203 175.800 -0.170 0.000 1.113 443 F CA 0.599 58.498 58.000 -0.169 0.000 1.214 443 F CB -1.109 37.808 39.000 -0.139 0.000 0.978 443 F HN 0.191 nan 8.300 nan 0.000 0.474 444 D N 0.403 120.826 120.400 0.038 0.000 2.116 444 D HA -0.195 4.330 4.640 -0.192 0.000 0.193 444 D C 2.335 178.619 176.300 -0.028 0.000 0.998 444 D CA 1.107 55.098 54.000 -0.015 0.000 0.836 444 D CB -0.332 40.440 40.800 -0.046 0.000 0.951 444 D HN 0.219 nan 8.370 nan 0.000 0.449 445 L N 0.763 121.961 121.223 -0.042 0.000 2.083 445 L HA -0.071 4.154 4.340 -0.192 0.000 0.209 445 L C 2.501 179.317 176.870 -0.090 0.000 1.083 445 L CA 1.209 56.035 54.840 -0.023 0.000 0.752 445 L CB -0.749 41.332 42.059 0.036 0.000 0.899 445 L HN 0.102 nan 8.230 nan 0.000 0.433 446 L N -0.985 120.163 121.223 -0.124 0.000 2.046 446 L HA -0.119 4.105 4.340 -0.192 0.000 0.208 446 L C 2.519 179.270 176.870 -0.198 0.000 1.077 446 L CA 1.216 55.934 54.840 -0.202 0.000 0.747 446 L CB -1.344 40.563 42.059 -0.254 0.000 0.896 446 L HN 0.438 nan 8.230 nan 0.000 0.432 447 G N 0.324 109.042 108.800 -0.136 0.000 2.529 447 G HA2 -0.300 3.545 3.960 -0.192 0.000 0.219 447 G HA3 -0.300 3.545 3.960 -0.192 0.000 0.219 447 G C 1.601 176.465 174.900 -0.060 0.000 1.177 447 G CA 1.043 46.080 45.100 -0.105 0.000 0.773 447 G HN 0.246 nan 8.290 nan 0.000 0.573 448 L N -0.205 121.003 121.223 -0.026 0.000 2.083 448 L HA 0.037 4.262 4.340 -0.192 0.000 0.209 448 L C 2.912 179.805 176.870 0.039 0.000 1.083 448 L CA 0.518 55.368 54.840 0.017 0.000 0.752 448 L CB -0.241 41.842 42.059 0.039 0.000 0.899 448 L HN 0.191 nan 8.230 nan 0.000 0.433 449 L N -0.736 120.490 121.223 0.004 0.000 2.093 449 L HA -0.141 4.083 4.340 -0.192 0.000 0.208 449 L C 0.942 177.862 176.870 0.082 0.000 1.085 449 L CA 0.618 55.484 54.840 0.044 0.000 0.755 449 L CB -0.153 41.880 42.059 -0.044 0.000 0.904 449 L HN 0.185 nan 8.230 nan 0.000 0.435 450 L N 0.717 121.916 121.223 -0.040 0.000 2.384 450 L HA 0.029 4.253 4.340 -0.192 0.000 0.258 450 L C 1.341 178.180 176.870 -0.053 0.000 1.266 450 L CA -0.265 54.517 54.840 -0.097 0.000 1.162 450 L CB -0.354 41.579 42.059 -0.210 0.000 1.375 450 L HN 0.316 nan 8.230 nan 0.000 0.420 451 H N -1.671 117.405 119.070 0.010 0.000 2.482 451 H HA 0.101 4.540 4.556 -0.194 0.000 0.286 451 H C 0.251 175.604 175.328 0.041 0.000 1.017 451 H CA 0.206 56.270 56.048 0.027 0.000 1.322 451 H CB 0.154 29.943 29.762 0.045 0.000 1.426 451 H HN 0.571 nan 8.280 nan 0.000 0.546 452 D N -1.309 118.837 120.400 -0.424 0.000 2.732 452 D HA 0.217 4.742 4.640 -0.192 0.000 0.292 452 D C 0.840 177.075 176.300 -0.109 0.000 1.135 452 D CA -0.675 53.214 54.000 -0.186 0.000 1.071 452 D CB 0.891 41.614 40.800 -0.128 0.000 1.457 452 D HN -0.052 nan 8.370 nan 0.000 0.547 453 S N -0.784 114.898 115.700 -0.029 0.000 2.383 453 S HA -0.134 4.220 4.470 -0.192 0.000 0.229 453 S C 0.998 175.626 174.600 0.048 0.000 1.030 453 S CA 1.495 59.702 58.200 0.012 0.000 1.002 453 S CB -0.429 62.784 63.200 0.020 0.000 0.829 453 S HN 0.474 nan 8.310 nan 0.000 0.467 454 D N 1.294 121.734 120.400 0.067 0.000 2.117 454 D HA 0.046 4.571 4.640 -0.192 0.000 0.198 454 D C 2.098 178.570 176.300 0.286 0.000 0.982 454 D CA 1.155 55.251 54.000 0.159 0.000 0.828 454 D CB -0.420 40.475 40.800 0.157 0.000 0.967 454 D HN 0.381 nan 8.370 nan 0.000 0.464 455 A N 0.335 123.245 122.820 0.150 0.000 1.898 455 A HA -0.074 4.130 4.320 -0.192 0.000 0.216 455 A C 2.314 179.933 177.584 0.059 0.000 1.181 455 A CA 0.742 52.824 52.037 0.075 0.000 0.620 455 A CB -0.592 18.335 19.000 -0.122 0.000 0.819 455 A HN 0.170 nan 8.150 nan 0.000 0.442 456 I N -0.207 120.391 120.570 0.048 0.000 2.315 456 I HA -0.191 3.864 4.170 -0.192 0.000 0.248 456 I C 1.783 177.996 176.117 0.161 0.000 1.117 456 I CA 1.255 62.610 61.300 0.091 0.000 1.404 456 I CB -0.249 37.775 38.000 0.040 0.000 1.071 456 I HN 0.223 nan 8.210 nan 0.000 0.419 457 D N 0.747 121.228 120.400 0.135 0.000 2.117 457 D HA -0.114 4.410 4.640 -0.192 0.000 0.198 457 D C 2.223 178.611 176.300 0.147 0.000 0.982 457 D CA 1.528 55.606 54.000 0.130 0.000 0.828 457 D CB -0.495 40.371 40.800 0.111 0.000 0.967 457 D HN 0.376 nan 8.370 nan 0.000 0.464 458 G N 0.457 109.380 108.800 0.204 0.000 2.446 458 G HA2 -0.307 3.537 3.960 -0.192 0.000 0.217 458 G HA3 -0.307 3.537 3.960 -0.192 0.000 0.217 458 G C 1.522 176.456 174.900 0.058 0.000 1.168 458 G CA 0.549 45.745 45.100 0.159 0.000 0.771 458 G HN 0.250 nan 8.290 nan 0.000 0.551 459 F N 1.354 121.258 119.950 -0.077 0.000 2.095 459 F HA -0.124 4.243 4.527 -0.267 0.000 0.298 459 F C 2.687 178.462 175.800 -0.042 0.000 1.104 459 F CA 1.654 59.603 58.000 -0.085 0.000 1.232 459 F CB -0.394 38.558 39.000 -0.081 0.000 0.987 459 F HN 0.014 nan 8.300 nan 0.000 0.475 460 V N 1.051 120.943 119.914 -0.036 0.000 2.427 460 V HA -0.250 3.754 4.120 -0.192 0.000 0.248 460 V C 2.387 178.410 176.094 -0.117 0.000 1.051 460 V CA 2.106 64.335 62.300 -0.118 0.000 1.048 460 V CB -0.687 31.156 31.823 0.034 0.000 0.666 460 V HN 0.284 nan 8.190 nan 0.000 0.456 461 R N 0.979 121.451 120.500 -0.047 0.000 2.237 461 R HA -0.058 4.166 4.340 -0.192 0.000 0.219 461 R C 1.862 178.118 176.300 -0.074 0.000 1.080 461 R CA 1.377 57.458 56.100 -0.032 0.000 0.995 461 R CB -0.312 30.002 30.300 0.023 0.000 0.875 461 R HN 0.664 nan 8.270 nan 0.000 0.462 462 S N -0.233 115.385 115.700 -0.136 0.000 2.575 462 S HA 0.113 4.467 4.470 -0.192 0.000 0.237 462 S C -0.244 174.217 174.600 -0.232 0.000 0.975 462 S CA -0.486 57.621 58.200 -0.155 0.000 0.960 462 S CB 0.259 63.378 63.200 -0.135 0.000 0.822 462 S HN 0.172 nan 8.310 nan 0.000 0.472 463 D N 0.260 120.496 120.400 -0.275 0.000 3.082 463 D HA -0.123 4.401 4.640 -0.192 0.000 0.216 463 D C 1.045 177.100 176.300 -0.409 0.000 1.114 463 D CA 0.712 54.551 54.000 -0.268 0.000 0.886 463 D CB -1.484 39.214 40.800 -0.171 0.000 1.096 463 D HN 0.571 nan 8.370 nan 0.000 0.431 464 G N 0.499 108.814 108.800 -0.809 0.000 2.469 464 G HA2 -0.226 3.619 3.960 -0.192 0.000 0.219 464 G HA3 -0.226 3.619 3.960 -0.192 0.000 0.219 464 G C 1.722 176.318 174.900 -0.508 0.000 1.150 464 G CA 1.309 45.614 45.100 -1.324 0.000 0.763 464 G HN 0.381 nan 8.290 nan 0.000 0.561 465 V N 1.389 121.103 119.914 -0.334 0.000 2.358 465 V HA -0.028 3.977 4.120 -0.192 0.000 0.246 465 V C 3.132 179.145 176.094 -0.135 0.000 1.047 465 V CA 1.937 64.169 62.300 -0.112 0.000 1.035 465 V CB -0.975 30.842 31.823 -0.010 0.000 0.658 465 V HN 0.449 nan 8.190 nan 0.000 0.452 466 G N -0.363 108.347 108.800 -0.150 0.000 2.418 466 G HA2 -0.204 3.640 3.960 -0.192 0.000 0.217 466 G HA3 -0.204 3.640 3.960 -0.192 0.000 0.217 466 G C 1.775 176.575 174.900 -0.166 0.000 1.158 466 G CA 1.093 46.104 45.100 -0.148 0.000 0.771 466 G HN 0.592 nan 8.290 nan 0.000 0.545 467 A N 0.999 123.726 122.820 -0.155 0.000 1.858 467 A HA 0.003 4.208 4.320 -0.192 0.000 0.216 467 A C 2.408 179.940 177.584 -0.087 0.000 1.190 467 A CA 1.455 53.422 52.037 -0.117 0.000 0.617 467 A CB -0.451 18.497 19.000 -0.086 0.000 0.827 467 A HN 0.365 nan 8.150 nan 0.000 0.443 468 I N -0.396 120.155 120.570 -0.031 0.000 2.208 468 I HA -0.243 3.811 4.170 -0.192 0.000 0.245 468 I C 2.531 178.558 176.117 -0.150 0.000 1.097 468 I CA 1.784 63.066 61.300 -0.029 0.000 1.363 468 I CB -0.687 37.247 38.000 -0.110 0.000 1.051 468 I HN 0.253 nan 8.210 nan 0.000 0.413 469 T N -0.110 114.320 114.554 -0.208 0.000 2.821 469 T HA -0.144 4.090 4.350 -0.192 0.000 0.267 469 T C 1.921 176.339 174.700 -0.470 0.000 1.046 469 T CA 1.907 63.825 62.100 -0.303 0.000 1.139 469 T CB -0.296 68.402 68.868 -0.283 0.000 0.871 469 T HN 0.382 nan 8.240 nan 0.000 0.454 470 T N 1.700 116.011 114.554 -0.406 0.000 2.708 470 T HA -0.061 4.174 4.350 -0.192 0.000 0.266 470 T C 2.163 176.443 174.700 -0.700 0.000 1.037 470 T CA 0.884 62.686 62.100 -0.497 0.000 1.146 470 T CB -0.491 68.147 68.868 -0.383 0.000 0.865 470 T HN 0.140 nan 8.240 nan 0.000 0.435 471 V N 2.186 121.764 119.914 -0.561 0.000 2.358 471 V HA -0.111 3.894 4.120 -0.192 0.000 0.246 471 V C 2.659 178.649 176.094 -0.173 0.000 1.047 471 V CA 1.593 63.564 62.300 -0.547 0.000 1.035 471 V CB -0.666 31.099 31.823 -0.096 0.000 0.658 471 V HN 0.553 nan 8.190 nan 0.000 0.452 472 V N -1.936 117.943 119.914 -0.059 0.000 3.444 472 V HA -0.126 3.878 4.120 -0.192 0.000 0.271 472 V C 1.867 178.068 176.094 0.178 0.000 1.188 472 V CA 1.146 63.496 62.300 0.084 0.000 1.168 472 V CB -1.091 30.758 31.823 0.042 0.000 0.810 472 V HN 0.579 nan 8.190 nan 0.000 0.500 473 Q N -0.468 119.393 119.800 0.101 0.000 2.364 473 Q HA -0.065 4.159 4.340 -0.192 0.000 0.209 473 Q C 0.521 176.687 176.000 0.277 0.000 0.977 473 Q CA 0.950 56.890 55.803 0.228 0.000 0.885 473 Q CB -0.108 28.701 28.738 0.118 0.000 0.941 473 Q HN 0.805 nan 8.270 nan 0.000 0.464 474 Y N 2.394 122.828 120.300 0.225 0.000 2.442 474 Y HA 0.080 4.516 4.550 -0.189 0.000 0.330 474 Y C -2.003 173.994 175.900 0.163 0.000 1.129 474 Y CA -2.773 55.465 58.100 0.229 0.000 1.365 474 Y CB 0.889 39.508 38.460 0.266 0.000 1.233 474 Y HN -0.040 nan 8.280 nan 0.000 0.529 475 P HA 0.046 nan 4.420 nan 0.000 0.241 475 P C -1.233 176.007 177.300 -0.101 0.000 1.760 475 P CA 0.356 63.317 63.100 -0.232 0.000 1.081 475 P CB -0.166 31.371 31.700 -0.271 0.000 1.975 476 N N 2.400 121.178 118.700 0.131 0.000 2.430 476 N HA 0.117 4.742 4.740 -0.192 0.000 0.290 476 N C 0.285 175.904 175.510 0.181 0.000 1.063 476 N CA -0.396 52.774 53.050 0.199 0.000 0.883 476 N CB 1.142 39.834 38.487 0.343 0.000 1.465 476 N HN -0.198 nan 8.380 nan 0.000 0.493 477 N N 2.224 121.017 118.700 0.154 0.000 2.244 477 N HA -0.102 4.523 4.740 -0.192 0.000 0.183 477 N C 0.464 176.044 175.510 0.116 0.000 1.016 477 N CA 1.037 54.186 53.050 0.164 0.000 0.866 477 N CB 0.163 38.748 38.487 0.165 0.000 0.980 477 N HN 0.619 nan 8.380 nan 0.000 0.430 478 D N 0.810 121.271 120.400 0.103 0.000 2.144 478 D HA -0.078 4.447 4.640 -0.192 0.000 0.200 478 D C 2.093 178.451 176.300 0.098 0.000 0.978 478 D CA 0.241 54.290 54.000 0.081 0.000 0.833 478 D CB -0.154 40.685 40.800 0.065 0.000 0.961 478 D HN 0.215 nan 8.370 nan 0.000 0.470 479 L N 0.524 121.828 121.223 0.136 0.000 2.005 479 L HA -0.128 4.097 4.340 -0.192 0.000 0.207 479 L C 2.323 179.296 176.870 0.172 0.000 1.072 479 L CA 1.030 55.988 54.840 0.198 0.000 0.744 479 L CB -0.154 42.040 42.059 0.225 0.000 0.895 479 L HN -0.079 nan 8.230 nan 0.000 0.433 480 I N -0.429 120.204 120.570 0.105 0.000 2.163 480 I HA -0.344 3.710 4.170 -0.192 0.000 0.243 480 I C 2.786 178.849 176.117 -0.091 0.000 1.085 480 I CA 1.394 62.690 61.300 -0.007 0.000 1.347 480 I CB -0.427 37.537 38.000 -0.060 0.000 1.044 480 I HN 0.269 nan 8.210 nan 0.000 0.408 481 R N 0.760 121.229 120.500 -0.052 0.000 2.096 481 R HA -0.241 3.984 4.340 -0.192 0.000 0.240 481 R C 2.301 178.556 176.300 -0.075 0.000 1.139 481 R CA 1.971 58.039 56.100 -0.053 0.000 0.952 481 R CB -0.289 30.013 30.300 0.004 0.000 0.854 481 R HN 0.433 nan 8.270 nan 0.000 0.436 482 A N -0.476 122.320 122.820 -0.040 0.000 1.930 482 A HA 0.026 4.231 4.320 -0.192 0.000 0.215 482 A C 2.250 179.612 177.584 -0.370 0.000 1.176 482 A CA 1.309 53.316 52.037 -0.050 0.000 0.632 482 A CB -0.711 18.383 19.000 0.157 0.000 0.819 482 A HN 0.546 nan 8.150 nan 0.000 0.445 483 G N -0.783 107.633 108.800 -0.639 0.000 2.418 483 G HA2 -0.236 3.609 3.960 -0.192 0.000 0.217 483 G HA3 -0.236 3.609 3.960 -0.192 0.000 0.217 483 G C 1.546 176.092 174.900 -0.591 0.000 1.158 483 G CA 1.347 45.749 45.100 -1.163 0.000 0.771 483 G HN 0.502 nan 8.290 nan 0.000 0.545 484 C N 0.112 119.200 119.300 -0.353 0.000 2.446 484 C HA 0.090 4.434 4.460 -0.192 0.000 0.277 484 C C 2.713 177.579 174.990 -0.207 0.000 1.275 484 C CA 1.024 59.886 59.018 -0.260 0.000 1.727 484 C CB -0.491 27.132 27.740 -0.196 0.000 2.010 484 C HN 0.538 nan 8.230 nan 0.000 0.486 485 K N 0.624 120.922 120.400 -0.170 0.000 2.103 485 K HA -0.195 4.010 4.320 -0.192 0.000 0.207 485 K C 1.934 178.457 176.600 -0.128 0.000 1.048 485 K CA 1.362 57.587 56.287 -0.102 0.000 0.930 485 K CB -0.289 32.174 32.500 -0.062 0.000 0.716 485 K HN 0.407 nan 8.250 nan 0.000 0.444 486 L N 1.333 122.429 121.223 -0.211 0.000 2.131 486 L HA -0.041 4.183 4.340 -0.192 0.000 0.206 486 L C 1.967 178.744 176.870 -0.154 0.000 1.087 486 L CA 1.153 55.868 54.840 -0.208 0.000 0.767 486 L CB -0.199 41.684 42.059 -0.294 0.000 0.917 486 L HN 0.170 nan 8.230 nan 0.000 0.441 487 L N -1.176 119.937 121.223 -0.183 0.000 2.012 487 L HA -0.239 3.986 4.340 -0.192 0.000 0.210 487 L C 2.502 179.405 176.870 0.055 0.000 1.073 487 L CA 1.178 55.944 54.840 -0.124 0.000 0.748 487 L CB -0.722 41.105 42.059 -0.387 0.000 0.891 487 L HN 0.343 nan 8.230 nan 0.000 0.431 488 L N -0.046 121.172 121.223 -0.008 0.000 2.043 488 L HA -0.300 3.925 4.340 -0.192 0.000 0.212 488 L C 2.564 179.445 176.870 0.018 0.000 1.075 488 L CA 1.907 56.757 54.840 0.017 0.000 0.752 488 L CB -0.631 41.380 42.059 -0.079 0.000 0.891 488 L HN 0.317 nan 8.230 nan 0.000 0.432 489 Q N -1.089 118.704 119.800 -0.012 0.000 2.172 489 Q HA -0.104 4.121 4.340 -0.192 0.000 0.200 489 Q C 1.768 177.767 176.000 -0.002 0.000 0.964 489 Q CA 1.673 57.464 55.803 -0.020 0.000 0.855 489 Q CB 0.067 28.771 28.738 -0.057 0.000 0.918 489 Q HN 0.576 nan 8.270 nan 0.000 0.444 490 V N -1.732 118.204 119.914 0.036 0.000 3.647 490 V HA 0.116 4.120 4.120 -0.192 0.000 0.279 490 V C 1.686 177.854 176.094 0.124 0.000 1.314 490 V CA 0.734 63.085 62.300 0.086 0.000 1.125 490 V CB 0.023 31.944 31.823 0.163 0.000 0.907 490 V HN 0.332 nan 8.190 nan 0.000 0.434 491 S N 1.882 117.654 115.700 0.120 0.000 2.447 491 S HA -0.213 4.142 4.470 -0.192 0.000 0.233 491 S C 1.487 176.045 174.600 -0.071 0.000 1.006 491 S CA 1.263 59.486 58.200 0.038 0.000 0.957 491 S CB -0.710 62.480 63.200 -0.017 0.000 0.773 491 S HN 0.843 nan 8.310 nan 0.000 0.507 492 D N 1.965 122.348 120.400 -0.028 0.000 2.349 492 D HA 0.216 4.741 4.640 -0.192 0.000 0.224 492 D C 0.615 176.914 176.300 -0.001 0.000 1.029 492 D CA 0.303 54.286 54.000 -0.028 0.000 0.879 492 D CB -0.366 40.424 40.800 -0.017 0.000 0.906 492 D HN 0.520 nan 8.370 nan 0.000 0.528 493 A N 1.076 123.908 122.820 0.019 0.000 2.520 493 A HA 0.053 4.257 4.320 -0.192 0.000 0.245 493 A C 1.263 178.863 177.584 0.027 0.000 1.072 493 A CA -0.295 51.765 52.037 0.038 0.000 0.761 493 A CB 0.376 19.420 19.000 0.073 0.000 1.004 493 A HN 0.042 nan 8.150 nan 0.000 0.499 494 K N 2.438 122.853 120.400 0.027 0.000 2.103 494 K HA -0.165 4.040 4.320 -0.192 0.000 0.207 494 K C 2.107 178.728 176.600 0.035 0.000 1.048 494 K CA 1.520 57.820 56.287 0.023 0.000 0.930 494 K CB -0.176 32.332 32.500 0.013 0.000 0.716 494 K HN 0.826 nan 8.250 nan 0.000 0.444 495 A N 1.005 123.851 122.820 0.043 0.000 2.131 495 A HA -0.142 4.063 4.320 -0.192 0.000 0.220 495 A C 1.912 179.525 177.584 0.048 0.000 1.158 495 A CA 1.182 53.246 52.037 0.046 0.000 0.665 495 A CB -0.567 18.463 19.000 0.050 0.000 0.795 495 A HN 0.209 nan 8.150 nan 0.000 0.460 496 L N -1.124 120.127 121.223 0.048 0.000 2.362 496 L HA -0.123 4.101 4.340 -0.192 0.000 0.219 496 L C 2.782 179.688 176.870 0.061 0.000 1.134 496 L CA 0.665 55.534 54.840 0.047 0.000 0.807 496 L CB -0.267 41.807 42.059 0.024 0.000 0.927 496 L HN 0.426 nan 8.230 nan 0.000 0.447 497 A N -0.582 122.286 122.820 0.079 0.000 2.119 497 A HA -0.141 4.063 4.320 -0.192 0.000 0.217 497 A C 2.143 179.843 177.584 0.192 0.000 1.153 497 A CA 1.283 53.417 52.037 0.163 0.000 0.692 497 A CB -0.124 18.959 19.000 0.138 0.000 0.799 497 A HN 0.230 nan 8.150 nan 0.000 0.458 498 K N -0.864 119.600 120.400 0.107 0.000 2.360 498 K HA 0.125 4.329 4.320 -0.192 0.000 0.196 498 K C -0.160 176.479 176.600 0.064 0.000 1.049 498 K CA 0.392 56.720 56.287 0.068 0.000 1.049 498 K CB 0.642 33.163 32.500 0.035 0.000 0.881 498 K HN 0.320 nan 8.250 nan 0.000 0.542 499 T N 2.897 117.495 114.554 0.074 0.000 2.856 499 T HA 0.261 4.496 4.350 -0.192 0.000 0.292 499 T C -2.607 172.134 174.700 0.069 0.000 0.980 499 T CA -1.641 60.488 62.100 0.049 0.000 1.091 499 T CB 1.194 70.085 68.868 0.037 0.000 0.936 499 T HN -0.154 nan 8.240 nan 0.000 0.503 500 P HA 0.157 nan 4.420 nan 0.000 0.260 500 P C -0.026 177.306 177.300 0.054 0.000 1.207 500 P CA 0.197 63.327 63.100 0.051 0.000 0.780 500 P CB 0.151 31.865 31.700 0.023 0.000 0.789 501 L N 2.382 123.650 121.223 0.074 0.000 2.766 501 L HA 0.114 4.339 4.340 -0.192 0.000 0.242 501 L C 1.418 178.330 176.870 0.070 0.000 1.136 501 L CA 0.176 55.059 54.840 0.073 0.000 0.933 501 L CB -0.036 42.067 42.059 0.073 0.000 1.241 501 L HN 0.194 nan 8.230 nan 0.000 0.522 502 E N 0.509 120.747 120.200 0.063 0.000 2.204 502 E HA -0.146 4.089 4.350 -0.192 0.000 0.195 502 E C 1.597 178.231 176.600 0.058 0.000 0.990 502 E CA 1.015 57.449 56.400 0.058 0.000 0.821 502 E CB 0.015 29.744 29.700 0.050 0.000 0.750 502 E HN 0.432 nan 8.360 nan 0.000 0.477 503 N N -0.441 118.290 118.700 0.051 0.000 2.436 503 N HA 0.099 4.724 4.740 -0.192 0.000 0.178 503 N C 1.832 177.390 175.510 0.079 0.000 1.026 503 N CA 0.396 53.477 53.050 0.053 0.000 0.880 503 N CB 0.188 38.686 38.487 0.019 0.000 1.061 503 N HN 0.138 nan 8.380 nan 0.000 0.434 504 I N 1.186 121.793 120.570 0.062 0.000 2.142 504 I HA -0.237 3.817 4.170 -0.192 0.000 0.240 504 I C 2.228 178.444 176.117 0.164 0.000 1.078 504 I CA 0.841 62.189 61.300 0.081 0.000 1.343 504 I CB -0.145 37.882 38.000 0.045 0.000 1.046 504 I HN 0.010 nan 8.210 nan 0.000 0.405 505 L N 1.188 122.504 121.223 0.155 0.000 1.989 505 L HA -0.123 4.101 4.340 -0.192 0.000 0.211 505 L C -0.422 176.537 176.870 0.150 0.000 1.071 505 L CA 2.467 57.412 54.840 0.175 0.000 0.749 505 L CB -1.827 40.319 42.059 0.146 0.000 0.890 505 L HN 0.079 nan 8.230 nan 0.000 0.431 506 P HA -0.221 nan 4.420 nan 0.000 0.216 506 P C 1.757 179.127 177.300 0.118 0.000 1.150 506 P CA 1.407 64.572 63.100 0.108 0.000 0.837 506 P CB -0.213 31.544 31.700 0.096 0.000 0.786 507 F N 0.282 120.243 119.950 0.018 0.000 2.102 507 F HA -0.168 4.246 4.527 -0.188 0.000 0.298 507 F C 1.922 177.720 175.800 -0.003 0.000 1.105 507 F CA 1.523 59.525 58.000 0.003 0.000 1.239 507 F CB -0.865 38.125 39.000 -0.017 0.000 0.991 507 F HN -0.267 nan 8.300 nan 0.000 0.474 508 L N -0.088 121.196 121.223 0.101 0.000 2.141 508 L HA -0.218 4.007 4.340 -0.192 0.000 0.209 508 L C 2.456 179.289 176.870 -0.062 0.000 1.094 508 L CA 0.879 55.699 54.840 -0.033 0.000 0.763 508 L CB -0.777 41.301 42.059 0.031 0.000 0.908 508 L HN 0.255 nan 8.230 nan 0.000 0.437 509 L N 0.042 121.271 121.223 0.009 0.000 2.012 509 L HA -0.228 3.996 4.340 -0.192 0.000 0.210 509 L C 2.941 179.795 176.870 -0.026 0.000 1.073 509 L CA 1.601 56.456 54.840 0.025 0.000 0.748 509 L CB -0.602 41.499 42.059 0.071 0.000 0.891 509 L HN 0.381 nan 8.230 nan 0.000 0.431 510 R N -0.167 120.280 120.500 -0.089 0.000 2.148 510 R HA -0.127 4.097 4.340 -0.192 0.000 0.223 510 R C 2.185 178.384 176.300 -0.169 0.000 1.088 510 R CA 0.920 56.954 56.100 -0.110 0.000 0.985 510 R CB -0.704 29.533 30.300 -0.105 0.000 0.880 510 R HN 0.224 nan 8.270 nan 0.000 0.451 511 L N 1.802 122.844 121.223 -0.301 0.000 2.017 511 L HA -0.073 4.152 4.340 -0.192 0.000 0.208 511 L C 2.226 179.046 176.870 -0.083 0.000 1.073 511 L CA 1.580 56.265 54.840 -0.259 0.000 0.745 511 L CB -0.209 41.613 42.059 -0.395 0.000 0.894 511 L HN 0.112 nan 8.230 nan 0.000 0.432 512 I N -0.617 119.915 120.570 -0.062 0.000 2.361 512 I HA -0.279 3.776 4.170 -0.192 0.000 0.251 512 I C 2.516 178.648 176.117 0.024 0.000 1.133 512 I CA 1.514 62.815 61.300 0.002 0.000 1.413 512 I CB -0.334 37.678 38.000 0.020 0.000 1.073 512 I HN 0.445 nan 8.210 nan 0.000 0.424 513 E N 1.371 121.576 120.200 0.009 0.000 2.072 513 E HA -0.208 4.027 4.350 -0.192 0.000 0.190 513 E C 2.153 178.757 176.600 0.007 0.000 0.982 513 E CA 1.476 57.886 56.400 0.016 0.000 0.803 513 E CB 0.079 29.795 29.700 0.027 0.000 0.755 513 E HN 0.687 nan 8.360 nan 0.000 0.453 514 I N -2.850 117.723 120.570 0.004 0.000 3.708 514 I HA 0.150 4.204 4.170 -0.192 0.000 0.302 514 I C 1.111 177.226 176.117 -0.003 0.000 1.255 514 I CA -0.232 61.063 61.300 -0.008 0.000 1.362 514 I CB 0.053 38.038 38.000 -0.025 0.000 1.100 514 I HN -0.081 nan 8.210 nan 0.000 0.434 515 H N 5.089 124.134 119.070 -0.042 0.000 2.955 515 H HA 0.179 4.623 4.556 -0.187 0.000 0.290 515 H C -1.449 173.873 175.328 -0.009 0.000 1.047 515 H CA -1.245 54.787 56.048 -0.028 0.000 1.484 515 H CB 1.355 31.099 29.762 -0.029 0.000 1.501 515 H HN 0.174 nan 8.280 nan 0.000 0.521 516 P HA -0.103 nan 4.420 nan 0.000 0.222 516 P C 0.191 177.519 177.300 0.046 0.000 1.147 516 P CA 0.798 63.854 63.100 -0.072 0.000 0.790 516 P CB 0.353 31.970 31.700 -0.138 0.000 0.780 517 D N -0.186 120.315 120.400 0.167 0.000 2.181 517 D HA 0.043 4.568 4.640 -0.192 0.000 0.248 517 D C 0.049 176.457 176.300 0.180 0.000 1.020 517 D CA -0.452 53.650 54.000 0.169 0.000 0.891 517 D CB 1.545 42.438 40.800 0.155 0.000 1.187 517 D HN -0.243 nan 8.370 nan 0.000 0.443 518 D N 1.105 121.593 120.400 0.146 0.000 2.264 518 D HA -0.122 4.402 4.640 -0.192 0.000 0.208 518 D C 1.477 177.859 176.300 0.137 0.000 0.966 518 D CA 0.740 54.831 54.000 0.152 0.000 0.864 518 D CB 0.331 41.192 40.800 0.103 0.000 0.933 518 D HN 0.480 nan 8.370 nan 0.000 0.499 519 E N 0.649 120.914 120.200 0.108 0.000 2.077 519 E HA -0.118 4.117 4.350 -0.192 0.000 0.193 519 E C 2.408 179.085 176.600 0.129 0.000 0.989 519 E CA 0.535 57.006 56.400 0.118 0.000 0.800 519 E CB -0.495 29.247 29.700 0.069 0.000 0.746 519 E HN 0.308 nan 8.360 nan 0.000 0.452 520 V N 0.509 120.459 119.914 0.060 0.000 2.453 520 V HA -0.169 3.836 4.120 -0.192 0.000 0.247 520 V C 2.076 178.184 176.094 0.023 0.000 1.048 520 V CA 1.057 63.342 62.300 -0.024 0.000 1.049 520 V CB -0.372 31.324 31.823 -0.211 0.000 0.672 520 V HN 0.056 nan 8.190 nan 0.000 0.457 521 I N 0.138 120.766 120.570 0.096 0.000 2.226 521 I HA -0.188 3.867 4.170 -0.192 0.000 0.245 521 I C 2.555 178.742 176.117 0.117 0.000 1.100 521 I CA 2.474 63.844 61.300 0.116 0.000 1.374 521 I CB -1.780 36.332 38.000 0.186 0.000 1.057 521 I HN 0.567 nan 8.210 nan 0.000 0.413 522 Y N 2.362 122.675 120.300 0.021 0.000 2.097 522 Y HA -0.263 4.171 4.550 -0.194 0.000 0.282 522 Y C 2.829 178.731 175.900 0.005 0.000 1.152 522 Y CA 2.091 60.191 58.100 0.001 0.000 1.136 522 Y CB -0.495 37.954 38.460 -0.018 0.000 0.975 522 Y HN 0.084 nan 8.280 nan 0.000 0.498 523 S N 0.304 115.902 115.700 -0.170 0.000 2.356 523 S HA -0.150 4.205 4.470 -0.192 0.000 0.223 523 S C 2.262 176.775 174.600 -0.146 0.000 1.032 523 S CA 1.212 59.264 58.200 -0.247 0.000 1.005 523 S CB -1.287 61.852 63.200 -0.101 0.000 0.867 523 S HN 0.733 nan 8.310 nan 0.000 0.449 524 G N 1.957 110.714 108.800 -0.071 0.000 2.459 524 G HA2 -0.256 3.588 3.960 -0.192 0.000 0.217 524 G HA3 -0.256 3.588 3.960 -0.192 0.000 0.217 524 G C 1.683 176.611 174.900 0.046 0.000 1.183 524 G CA 1.787 46.884 45.100 -0.004 0.000 0.776 524 G HN 0.630 nan 8.290 nan 0.000 0.552 525 T N -1.107 113.445 114.554 -0.004 0.000 2.867 525 T HA 0.086 4.320 4.350 -0.192 0.000 0.268 525 T C 2.399 177.056 174.700 -0.072 0.000 1.057 525 T CA 1.579 63.673 62.100 -0.010 0.000 1.136 525 T CB -0.473 68.399 68.868 0.005 0.000 0.874 525 T HN 0.268 nan 8.240 nan 0.000 0.466 526 G N 0.314 109.019 108.800 -0.158 0.000 2.402 526 G HA2 -0.049 3.796 3.960 -0.192 0.000 0.216 526 G HA3 -0.049 3.796 3.960 -0.192 0.000 0.216 526 G C 1.223 176.055 174.900 -0.113 0.000 1.162 526 G CA 0.513 45.481 45.100 -0.219 0.000 0.777 526 G HN 0.499 nan 8.290 nan 0.000 0.539 527 F N 0.958 120.804 119.950 -0.174 0.000 2.113 527 F HA 0.015 4.435 4.527 -0.179 0.000 0.297 527 F C 2.274 178.018 175.800 -0.092 0.000 1.103 527 F CA 1.221 59.150 58.000 -0.118 0.000 1.248 527 F CB -0.313 38.630 39.000 -0.096 0.000 0.999 527 F HN 0.100 nan 8.300 nan 0.000 0.475 528 L N 0.792 121.999 121.223 -0.027 0.000 2.013 528 L HA -0.224 4.001 4.340 -0.192 0.000 0.212 528 L C 2.768 179.492 176.870 -0.243 0.000 1.073 528 L CA 2.386 57.158 54.840 -0.113 0.000 0.753 528 L CB -1.369 40.708 42.059 0.029 0.000 0.890 528 L HN 0.424 nan 8.230 nan 0.000 0.432 529 S N -0.714 114.854 115.700 -0.219 0.000 2.359 529 S HA -0.214 4.140 4.470 -0.192 0.000 0.224 529 S C 1.870 176.303 174.600 -0.278 0.000 1.035 529 S CA 1.530 59.578 58.200 -0.254 0.000 1.018 529 S CB -0.837 62.242 63.200 -0.203 0.000 0.876 529 S HN 0.605 nan 8.310 nan 0.000 0.448 530 N N 0.973 119.502 118.700 -0.285 0.000 2.300 530 N HA 0.069 4.693 4.740 -0.192 0.000 0.179 530 N C 1.824 177.145 175.510 -0.313 0.000 1.016 530 N CA 1.059 53.950 53.050 -0.265 0.000 0.876 530 N CB -0.832 37.523 38.487 -0.221 0.000 0.979 530 N HN 0.346 nan 8.380 nan 0.000 0.432 531 V N 1.547 121.173 119.914 -0.480 0.000 2.427 531 V HA -0.139 3.865 4.120 -0.192 0.000 0.248 531 V C 2.283 178.214 176.094 -0.273 0.000 1.051 531 V CA 1.392 63.413 62.300 -0.464 0.000 1.048 531 V CB -0.250 31.108 31.823 -0.774 0.000 0.666 531 V HN 0.233 nan 8.190 nan 0.000 0.456 532 V N -0.413 119.353 119.914 -0.247 0.000 2.667 532 V HA 0.250 4.254 4.120 -0.192 0.000 0.252 532 V C 1.442 177.423 176.094 -0.188 0.000 1.065 532 V CA 0.639 62.838 62.300 -0.167 0.000 1.083 532 V CB -1.525 30.230 31.823 -0.112 0.000 0.692 532 V HN 0.482 nan 8.190 nan 0.000 0.468 533 A N 0.648 123.321 122.820 -0.245 0.000 2.573 533 A HA 0.178 4.382 4.320 -0.192 0.000 0.250 533 A C 0.787 178.247 177.584 -0.207 0.000 1.049 533 A CA 1.074 52.916 52.037 -0.324 0.000 0.767 533 A CB -1.292 17.512 19.000 -0.326 0.000 0.965 533 A HN 1.110 nan 8.150 nan 0.000 0.514 534 H N -0.315 118.705 119.070 -0.083 0.000 3.211 534 H HA -0.149 4.291 4.556 -0.193 0.000 0.240 534 H C -0.349 174.961 175.328 -0.030 0.000 1.148 534 H CA 1.684 57.701 56.048 -0.052 0.000 1.160 534 H CB -1.538 28.198 29.762 -0.043 0.000 1.232 534 H HN 0.743 nan 8.280 nan 0.000 0.321 535 K N 0.660 121.072 120.400 0.021 0.000 2.616 535 K HA 0.169 4.373 4.320 -0.192 0.000 0.241 535 K C 0.555 177.141 176.600 -0.022 0.000 0.961 535 K CA -0.464 55.830 56.287 0.011 0.000 0.942 535 K CB 1.970 34.413 32.500 -0.094 0.000 1.153 535 K HN -0.040 nan 8.250 nan 0.000 0.452 536 Q N 2.005 121.848 119.800 0.071 0.000 2.020 536 Q HA -0.211 4.014 4.340 -0.192 0.000 0.202 536 Q C 2.079 178.112 176.000 0.056 0.000 0.982 536 Q CA 2.096 57.931 55.803 0.055 0.000 0.838 536 Q CB -0.031 28.751 28.738 0.074 0.000 0.899 536 Q HN 0.746 nan 8.270 nan 0.000 0.423 537 H N -1.414 117.663 119.070 0.011 0.000 2.421 537 H HA -0.043 4.397 4.556 -0.193 0.000 0.298 537 H C 1.781 177.121 175.328 0.020 0.000 1.087 537 H CA 1.590 57.646 56.048 0.014 0.000 1.330 537 H CB -0.600 29.170 29.762 0.013 0.000 1.388 537 H HN 0.205 nan 8.280 nan 0.000 0.526 538 V N 1.527 121.121 119.914 -0.533 0.000 2.379 538 V HA -0.170 3.835 4.120 -0.192 0.000 0.245 538 V C 2.646 178.687 176.094 -0.089 0.000 1.044 538 V CA 1.722 63.831 62.300 -0.318 0.000 1.036 538 V CB -0.430 31.182 31.823 -0.352 0.000 0.664 538 V HN 0.282 nan 8.190 nan 0.000 0.453 539 K N 0.163 120.540 120.400 -0.038 0.000 2.032 539 K HA -0.223 3.982 4.320 -0.192 0.000 0.209 539 K C 1.934 178.504 176.600 -0.050 0.000 1.048 539 K CA 1.898 58.227 56.287 0.069 0.000 0.927 539 K CB -0.380 32.169 32.500 0.082 0.000 0.712 539 K HN 0.441 nan 8.250 nan 0.000 0.441 540 D N 0.895 121.275 120.400 -0.034 0.000 2.123 540 D HA -0.164 4.361 4.640 -0.192 0.000 0.196 540 D C 1.929 178.219 176.300 -0.017 0.000 0.992 540 D CA 1.156 55.144 54.000 -0.021 0.000 0.833 540 D CB -0.246 40.569 40.800 0.025 0.000 0.954 540 D HN 0.199 nan 8.370 nan 0.000 0.455 541 I N 1.272 121.840 120.570 -0.003 0.000 2.142 541 I HA -0.258 3.797 4.170 -0.192 0.000 0.240 541 I C 2.573 178.699 176.117 0.016 0.000 1.078 541 I CA 1.242 62.550 61.300 0.015 0.000 1.343 541 I CB -0.263 37.754 38.000 0.027 0.000 1.046 541 I HN -0.081 nan 8.210 nan 0.000 0.405 542 A N 0.849 123.684 122.820 0.025 0.000 1.877 542 A HA -0.189 4.016 4.320 -0.192 0.000 0.216 542 A C 2.314 179.882 177.584 -0.027 0.000 1.186 542 A CA 1.660 53.731 52.037 0.058 0.000 0.620 542 A CB -0.958 18.149 19.000 0.179 0.000 0.822 542 A HN 0.382 nan 8.150 nan 0.000 0.443 543 I N -0.855 119.610 120.570 -0.175 0.000 2.208 543 I HA -0.276 3.779 4.170 -0.192 0.000 0.245 543 I C 2.647 178.724 176.117 -0.066 0.000 1.097 543 I CA 1.453 62.626 61.300 -0.211 0.000 1.363 543 I CB -0.259 37.583 38.000 -0.263 0.000 1.051 543 I HN 0.253 nan 8.210 nan 0.000 0.413 544 R N -0.108 120.369 120.500 -0.038 0.000 2.237 544 R HA -0.031 4.193 4.340 -0.192 0.000 0.219 544 R C 1.452 177.750 176.300 -0.003 0.000 1.080 544 R CA 0.922 57.013 56.100 -0.015 0.000 0.995 544 R CB -0.101 30.197 30.300 -0.004 0.000 0.875 544 R HN 0.239 nan 8.270 nan 0.000 0.462 545 S N 0.090 115.797 115.700 0.012 0.000 2.575 545 S HA 0.147 4.502 4.470 -0.192 0.000 0.237 545 S C -0.333 174.295 174.600 0.047 0.000 0.975 545 S CA -0.338 57.879 58.200 0.029 0.000 0.960 545 S CB 0.212 63.440 63.200 0.047 0.000 0.822 545 S HN 0.427 nan 8.310 nan 0.000 0.472 546 N N 0.540 119.267 118.700 0.046 0.000 2.862 546 N HA -0.192 4.433 4.740 -0.192 0.000 0.248 546 N C 0.821 176.445 175.510 0.190 0.000 1.116 546 N CA 0.425 53.535 53.050 0.100 0.000 0.727 546 N CB -1.274 37.252 38.487 0.065 0.000 1.083 546 N HN 0.456 nan 8.380 nan 0.000 0.555 547 A N 0.165 123.080 122.820 0.157 0.000 1.933 547 A HA -0.074 4.130 4.320 -0.192 0.000 0.218 547 A C 2.014 179.790 177.584 0.321 0.000 1.175 547 A CA 1.550 53.729 52.037 0.236 0.000 0.628 547 A CB -0.274 18.896 19.000 0.285 0.000 0.814 547 A HN 0.458 nan 8.150 nan 0.000 0.444 548 I N -1.953 118.799 120.570 0.304 0.000 2.179 548 I HA -0.246 3.808 4.170 -0.192 0.000 0.242 548 I C 2.342 178.715 176.117 0.427 0.000 1.088 548 I CA 1.682 63.224 61.300 0.404 0.000 1.357 548 I CB -0.399 37.808 38.000 0.344 0.000 1.051 548 I HN 0.439 nan 8.210 nan 0.000 0.409 549 F N 1.334 121.397 119.950 0.189 0.000 2.126 549 F HA -0.279 4.132 4.527 -0.194 0.000 0.299 549 F C 2.226 178.118 175.800 0.153 0.000 1.096 549 F CA 1.640 59.715 58.000 0.125 0.000 1.255 549 F CB -0.246 38.783 39.000 0.048 0.000 0.997 549 F HN -0.045 nan 8.300 nan 0.000 0.479 550 L N 0.382 121.737 121.223 0.220 0.000 2.017 550 L HA -0.183 4.042 4.340 -0.192 0.000 0.208 550 L C 2.160 179.072 176.870 0.070 0.000 1.073 550 L CA 1.718 56.625 54.840 0.111 0.000 0.745 550 L CB -0.933 41.228 42.059 0.170 0.000 0.894 550 L HN 0.242 nan 8.230 nan 0.000 0.432 551 L N -0.877 120.458 121.223 0.186 0.000 2.051 551 L HA -0.318 3.906 4.340 -0.192 0.000 0.214 551 L C 2.746 179.733 176.870 0.197 0.000 1.076 551 L CA 1.884 56.867 54.840 0.240 0.000 0.758 551 L CB -1.165 41.122 42.059 0.381 0.000 0.890 551 L HN 0.522 nan 8.230 nan 0.000 0.433 552 H N -0.036 119.024 119.070 -0.017 0.000 2.389 552 H HA -0.122 4.318 4.556 -0.193 0.000 0.299 552 H C 2.064 177.176 175.328 -0.359 0.000 1.081 552 H CA 1.911 57.715 56.048 -0.407 0.000 1.345 552 H CB 0.212 29.566 29.762 -0.679 0.000 1.393 552 H HN 0.261 nan 8.280 nan 0.000 0.520 553 T N 1.178 115.572 114.554 -0.267 0.000 2.777 553 T HA -0.070 4.164 4.350 -0.192 0.000 0.266 553 T C 2.352 176.925 174.700 -0.212 0.000 1.040 553 T CA 1.366 63.302 62.100 -0.273 0.000 1.141 553 T CB -0.122 68.577 68.868 -0.281 0.000 0.868 553 T HN 0.254 nan 8.240 nan 0.000 0.444 554 I N 0.431 120.926 120.570 -0.125 0.000 2.202 554 I HA -0.083 3.971 4.170 -0.192 0.000 0.242 554 I C 2.204 178.299 176.117 -0.037 0.000 1.091 554 I CA 1.156 62.415 61.300 -0.068 0.000 1.368 554 I CB -0.337 37.694 38.000 0.052 0.000 1.058 554 I HN 0.184 nan 8.210 nan 0.000 0.410 555 I N 0.080 120.627 120.570 -0.039 0.000 2.208 555 I HA -0.294 3.760 4.170 -0.192 0.000 0.245 555 I C 2.520 178.574 176.117 -0.104 0.000 1.097 555 I CA 1.331 62.620 61.300 -0.019 0.000 1.363 555 I CB -0.301 37.677 38.000 -0.036 0.000 1.051 555 I HN 0.134 nan 8.210 nan 0.000 0.413 556 S N 0.695 116.232 115.700 -0.271 0.000 2.423 556 S HA -0.173 4.182 4.470 -0.192 0.000 0.231 556 S C 1.851 176.330 174.600 -0.203 0.000 1.014 556 S CA 1.313 59.346 58.200 -0.277 0.000 0.965 556 S CB -0.241 62.730 63.200 -0.382 0.000 0.785 556 S HN 0.529 nan 8.310 nan 0.000 0.495 557 K N -0.088 120.153 120.400 -0.266 0.000 2.366 557 K HA 0.005 4.209 4.320 -0.192 0.000 0.198 557 K C -0.386 176.003 176.600 -0.351 0.000 1.044 557 K CA 0.458 56.544 56.287 -0.336 0.000 0.973 557 K CB -0.148 32.085 32.500 -0.446 0.000 0.767 557 K HN 0.246 nan 8.250 nan 0.000 0.475 558 Y N 2.318 122.582 120.300 -0.061 0.000 2.320 558 Y HA 0.308 4.741 4.550 -0.194 0.000 0.324 558 Y C -2.000 173.872 175.900 -0.047 0.000 1.190 558 Y CA -2.944 55.129 58.100 -0.046 0.000 1.215 558 Y CB 0.480 38.916 38.460 -0.040 0.000 1.221 558 Y HN -0.011 nan 8.280 nan 0.000 0.486 559 P HA 0.088 nan 4.420 nan 0.000 0.272 559 P C -0.470 176.859 177.300 0.047 0.000 1.254 559 P CA -0.614 62.524 63.100 0.063 0.000 0.795 559 P CB 0.525 32.256 31.700 0.051 0.000 1.022 560 R N 0.603 121.113 120.500 0.017 0.000 2.698 560 R HA -0.001 4.224 4.340 -0.192 0.000 0.266 560 R C 1.088 177.385 176.300 -0.004 0.000 1.026 560 R CA -0.269 55.832 56.100 0.002 0.000 1.102 560 R CB -0.230 30.069 30.300 -0.002 0.000 0.978 560 R HN 0.296 nan 8.270 nan 0.000 0.436 561 L N 2.710 123.921 121.223 -0.020 0.000 2.191 561 L HA -0.145 4.080 4.340 -0.192 0.000 0.212 561 L C 1.173 178.025 176.870 -0.029 0.000 1.103 561 L CA 1.879 56.698 54.840 -0.035 0.000 0.769 561 L CB -0.574 41.452 42.059 -0.055 0.000 0.908 561 L HN 0.808 nan 8.230 nan 0.000 0.438 562 D N -2.059 118.329 120.400 -0.020 0.000 2.325 562 D HA -0.073 4.451 4.640 -0.192 0.000 0.225 562 D C 0.899 177.196 176.300 -0.005 0.000 1.096 562 D CA 0.253 54.245 54.000 -0.013 0.000 0.844 562 D CB -0.258 40.536 40.800 -0.010 0.000 0.925 562 D HN 0.408 nan 8.370 nan 0.000 0.513 563 E N -0.266 119.932 120.200 -0.004 0.000 2.548 563 E HA 0.150 4.385 4.350 -0.192 0.000 0.206 563 E C -0.470 176.131 176.600 0.002 0.000 1.005 563 E CA -0.424 55.977 56.400 0.002 0.000 0.951 563 E CB 0.726 30.429 29.700 0.006 0.000 1.035 563 E HN 0.086 nan 8.360 nan 0.000 0.470 564 L N 1.490 122.710 121.223 -0.005 0.000 2.294 564 L HA 0.161 4.385 4.340 -0.192 0.000 0.283 564 L C 1.371 178.235 176.870 -0.010 0.000 1.015 564 L CA 0.025 54.860 54.840 -0.009 0.000 0.831 564 L CB 1.270 43.316 42.059 -0.021 0.000 1.217 564 L HN 0.006 nan 8.230 nan 0.000 0.420 565 T N -1.528 113.023 114.554 -0.006 0.000 3.009 565 T HA 0.007 4.242 4.350 -0.192 0.000 0.258 565 T C 0.622 175.317 174.700 -0.008 0.000 1.063 565 T CA 0.087 62.184 62.100 -0.005 0.000 1.139 565 T CB -0.121 68.747 68.868 -0.001 0.000 0.890 565 T HN 0.408 nan 8.240 nan 0.000 0.471 566 D N 1.000 121.393 120.400 -0.011 0.000 2.339 566 D HA 0.546 5.071 4.640 -0.192 0.000 0.256 566 D C 1.282 177.568 176.300 -0.024 0.000 1.214 566 D CA 0.273 54.264 54.000 -0.015 0.000 0.877 566 D CB 1.030 41.821 40.800 -0.014 0.000 1.111 566 D HN 0.244 nan 8.370 nan 0.000 0.478 567 A N 5.368 128.174 122.820 -0.022 0.000 1.877 567 A HA -0.034 4.170 4.320 -0.192 0.000 0.216 567 A C -0.431 177.128 177.584 -0.043 0.000 1.186 567 A CA 0.862 52.883 52.037 -0.028 0.000 0.620 567 A CB -1.261 17.728 19.000 -0.019 0.000 0.822 567 A HN 0.600 nan 8.150 nan 0.000 0.443 568 P HA -0.080 nan 4.420 nan 0.000 0.217 568 P C 1.791 179.042 177.300 -0.082 0.000 1.150 568 P CA 2.491 65.554 63.100 -0.062 0.000 0.832 568 P CB -0.083 31.587 31.700 -0.051 0.000 0.787 569 K N 0.427 120.787 120.400 -0.068 0.000 2.103 569 K HA -0.101 4.104 4.320 -0.192 0.000 0.204 569 K C 2.209 178.746 176.600 -0.104 0.000 1.052 569 K CA 1.473 57.713 56.287 -0.078 0.000 0.945 569 K CB -1.398 31.074 32.500 -0.047 0.000 0.722 569 K HN 0.052 nan 8.250 nan 0.000 0.443 570 R N 0.291 120.741 120.500 -0.083 0.000 2.081 570 R HA -0.137 4.088 4.340 -0.192 0.000 0.235 570 R C 2.203 178.438 176.300 -0.109 0.000 1.131 570 R CA 1.888 57.935 56.100 -0.088 0.000 0.960 570 R CB -0.325 29.940 30.300 -0.058 0.000 0.856 570 R HN 0.553 nan 8.270 nan 0.000 0.436 571 N N 0.030 118.669 118.700 -0.102 0.000 2.309 571 N HA -0.138 4.486 4.740 -0.192 0.000 0.182 571 N C 1.695 177.111 175.510 -0.157 0.000 1.018 571 N CA 0.897 53.881 53.050 -0.109 0.000 0.876 571 N CB 0.080 38.510 38.487 -0.094 0.000 0.972 571 N HN 0.039 nan 8.380 nan 0.000 0.434 572 R N -0.206 120.180 120.500 -0.189 0.000 2.057 572 R HA 0.109 4.334 4.340 -0.192 0.000 0.229 572 R C 1.945 178.099 176.300 -0.243 0.000 1.136 572 R CA 0.879 56.833 56.100 -0.244 0.000 0.952 572 R CB -0.852 29.313 30.300 -0.225 0.000 0.848 572 R HN 0.039 nan 8.270 nan 0.000 0.430 573 V N -0.055 119.670 119.914 -0.315 0.000 2.324 573 V HA -0.374 3.631 4.120 -0.192 0.000 0.250 573 V C 2.557 178.488 176.094 -0.272 0.000 1.060 573 V CA 1.998 64.010 62.300 -0.481 0.000 1.042 573 V CB -0.747 30.781 31.823 -0.492 0.000 0.650 573 V HN 0.552 nan 8.190 nan 0.000 0.450 574 C N 0.332 119.527 119.300 -0.174 0.000 2.393 574 C HA -0.229 4.116 4.460 -0.192 0.000 0.276 574 C C 2.767 177.717 174.990 -0.065 0.000 1.215 574 C CA 1.970 60.925 59.018 -0.106 0.000 1.743 574 C CB -1.007 26.680 27.740 -0.087 0.000 2.044 574 C HN 0.675 nan 8.230 nan 0.000 0.464 575 E N -0.080 120.091 120.200 -0.048 0.000 2.150 575 E HA -0.118 4.116 4.350 -0.192 0.000 0.193 575 E C 1.982 178.641 176.600 0.098 0.000 0.985 575 E CA 1.288 57.715 56.400 0.045 0.000 0.814 575 E CB -0.140 29.609 29.700 0.081 0.000 0.752 575 E HN 0.700 nan 8.360 nan 0.000 0.466 576 I N 0.934 121.539 120.570 0.058 0.000 2.179 576 I HA -0.288 3.766 4.170 -0.192 0.000 0.242 576 I C 2.277 178.415 176.117 0.036 0.000 1.088 576 I CA 1.168 62.508 61.300 0.067 0.000 1.357 576 I CB -0.197 37.803 38.000 -0.001 0.000 1.051 576 I HN 0.105 nan 8.210 nan 0.000 0.409 577 I N -0.182 120.386 120.570 -0.003 0.000 2.286 577 I HA -0.358 3.696 4.170 -0.192 0.000 0.248 577 I C 2.806 178.920 176.117 -0.005 0.000 1.115 577 I CA 1.039 62.346 61.300 0.012 0.000 1.392 577 I CB -0.454 37.542 38.000 -0.007 0.000 1.065 577 I HN 0.444 nan 8.210 nan 0.000 0.418 578 C N 1.398 120.691 119.300 -0.012 0.000 2.429 578 C HA -0.150 4.195 4.460 -0.192 0.000 0.277 578 C C 2.761 177.728 174.990 -0.037 0.000 1.262 578 C CA 1.288 60.291 59.018 -0.024 0.000 1.733 578 C CB -1.327 26.406 27.740 -0.012 0.000 2.010 578 C HN 0.514 nan 8.230 nan 0.000 0.483 579 N N 0.303 118.990 118.700 -0.022 0.000 2.120 579 N HA -0.114 4.511 4.740 -0.192 0.000 0.188 579 N C 1.720 177.188 175.510 -0.071 0.000 1.024 579 N CA 1.877 54.894 53.050 -0.055 0.000 0.852 579 N CB -0.890 37.566 38.487 -0.052 0.000 1.003 579 N HN 0.572 nan 8.380 nan 0.000 0.424 580 C N 0.792 120.075 119.300 -0.029 0.000 2.432 580 C HA 0.002 4.347 4.460 -0.192 0.000 0.277 580 C C 2.816 177.761 174.990 -0.075 0.000 1.249 580 C CA 0.265 59.274 59.018 -0.015 0.000 1.725 580 C CB -1.221 26.554 27.740 0.057 0.000 2.028 580 C HN 0.413 nan 8.230 nan 0.000 0.477 581 L N -0.011 121.163 121.223 -0.082 0.000 2.141 581 L HA -0.113 4.112 4.340 -0.192 0.000 0.209 581 L C 2.820 179.577 176.870 -0.189 0.000 1.094 581 L CA 1.239 55.992 54.840 -0.146 0.000 0.763 581 L CB -0.633 41.355 42.059 -0.119 0.000 0.908 581 L HN 0.333 nan 8.230 nan 0.000 0.437 582 R N -0.541 119.859 120.500 -0.166 0.000 2.115 582 R HA -0.119 4.106 4.340 -0.192 0.000 0.230 582 R C 2.244 178.373 176.300 -0.285 0.000 1.111 582 R CA 1.761 57.745 56.100 -0.193 0.000 0.976 582 R CB -0.105 30.102 30.300 -0.155 0.000 0.870 582 R HN 0.309 nan 8.270 nan 0.000 0.445 583 T N 1.358 115.723 114.554 -0.315 0.000 2.737 583 T HA -0.137 4.097 4.350 -0.192 0.000 0.265 583 T C 1.631 175.901 174.700 -0.718 0.000 1.038 583 T CA 1.012 62.806 62.100 -0.510 0.000 1.144 583 T CB -0.265 68.366 68.868 -0.396 0.000 0.866 583 T HN 0.117 nan 8.240 nan 0.000 0.434 584 L N 2.371 123.330 121.223 -0.440 0.000 2.013 584 L HA -0.150 4.075 4.340 -0.192 0.000 0.212 584 L C 1.880 178.565 176.870 -0.307 0.000 1.073 584 L CA 1.816 56.451 54.840 -0.341 0.000 0.753 584 L CB -0.938 40.862 42.059 -0.431 0.000 0.890 584 L HN 0.106 nan 8.230 nan 0.000 0.432 585 N N 0.160 118.682 118.700 -0.298 0.000 2.149 585 N HA -0.172 4.452 4.740 -0.192 0.000 0.188 585 N C 1.553 176.915 175.510 -0.248 0.000 1.019 585 N CA 1.385 54.297 53.050 -0.230 0.000 0.857 585 N CB -0.708 37.664 38.487 -0.192 0.000 0.997 585 N HN 0.458 nan 8.380 nan 0.000 0.426 586 N N 0.239 118.725 118.700 -0.358 0.000 2.309 586 N HA -0.047 4.578 4.740 -0.192 0.000 0.182 586 N C 1.249 176.587 175.510 -0.286 0.000 1.018 586 N CA 0.550 53.379 53.050 -0.368 0.000 0.876 586 N CB -0.244 37.969 38.487 -0.457 0.000 0.972 586 N HN 0.194 nan 8.380 nan 0.000 0.434 587 F N 1.120 120.917 119.950 -0.256 0.000 2.149 587 F HA 0.157 4.568 4.527 -0.194 0.000 0.294 587 F C 1.541 177.010 175.800 -0.550 0.000 1.095 587 F CA -0.214 57.558 58.000 -0.381 0.000 1.276 587 F CB -1.131 37.723 39.000 -0.243 0.000 1.023 587 F HN -0.114 nan 8.300 nan 0.000 0.480 592 I N 3.756 124.425 120.570 0.166 0.000 2.339 592 I HA 0.271 4.325 4.170 -0.192 0.000 0.290 592 I C -1.431 174.731 176.117 0.075 0.000 0.994 592 I CA -1.696 59.662 61.300 0.096 0.000 1.191 592 I CB 1.242 39.270 38.000 0.046 0.000 1.343 592 I HN -0.404 nan 8.210 nan 0.000 0.458 593 P HA -0.055 nan 4.420 nan 0.000 0.249 593 P C 0.021 177.347 177.300 0.044 0.000 1.140 593 P CA 0.350 63.487 63.100 0.061 0.000 0.803 593 P CB -0.286 31.446 31.700 0.053 0.000 0.745 594 T N 2.668 117.247 114.554 0.041 0.000 3.364 594 T HA 0.543 4.778 4.350 -0.192 0.000 0.323 594 T C -0.231 174.486 174.700 0.028 0.000 1.323 594 T CA -0.739 61.379 62.100 0.030 0.000 1.073 594 T CB -0.872 68.010 68.868 0.025 0.000 1.150 594 T HN 0.529 nan 8.240 nan 0.000 0.727 600 K N 1.941 122.444 120.400 0.171 0.000 2.130 600 K HA 0.727 4.931 4.320 -0.192 0.000 0.268 600 K C -0.099 176.684 176.600 0.305 0.000 0.983 600 K CA -0.772 55.650 56.287 0.224 0.000 0.893 600 K CB 1.387 34.030 32.500 0.239 0.000 1.066 600 K HN 0.546 nan 8.250 nan 0.000 0.450 601 T N 1.276 115.949 114.554 0.198 0.000 2.845 601 T HA 0.397 4.632 4.350 -0.192 0.000 0.288 601 T C -0.284 174.438 174.700 0.037 0.000 0.980 601 T CA -0.716 61.444 62.100 0.100 0.000 1.071 601 T CB 1.435 70.321 68.868 0.030 0.000 0.941 601 T HN 0.623 nan 8.240 nan 0.000 0.487 602 A N 2.181 124.846 122.820 -0.259 0.000 2.312 602 A HA 0.790 4.995 4.320 -0.192 0.000 0.326 602 A C 0.743 178.061 177.584 -0.444 0.000 1.172 602 A CA -0.652 51.057 52.037 -0.548 0.000 0.821 602 A CB 0.562 18.660 19.000 -1.502 0.000 1.166 602 A HN 0.968 nan 8.150 nan 0.000 0.493 603 G N 0.927 109.541 108.800 -0.310 0.000 2.599 603 G HA2 0.460 4.305 3.960 -0.192 0.000 0.264 603 G HA3 0.460 4.305 3.960 -0.192 0.000 0.264 603 G C -1.199 173.513 174.900 -0.312 0.000 1.200 603 G CA -0.992 43.962 45.100 -0.243 0.000 0.896 603 G HN 0.482 nan 8.290 nan 0.000 0.536 604 P HA -0.130 nan 4.420 nan 0.000 0.219 604 P C 1.091 178.269 177.300 -0.204 0.000 1.146 604 P CA 0.938 63.907 63.100 -0.219 0.000 0.808 604 P CB 0.290 31.903 31.700 -0.146 0.000 0.779 605 N N 0.325 118.921 118.700 -0.173 0.000 2.173 605 N HA -0.098 4.526 4.740 -0.192 0.000 0.184 605 N C 1.778 177.202 175.510 -0.143 0.000 1.025 605 N CA 1.100 54.070 53.050 -0.134 0.000 0.852 605 N CB -0.667 37.759 38.487 -0.102 0.000 0.998 605 N HN 0.186 nan 8.380 nan 0.000 0.427 606 E N 1.545 121.627 120.200 -0.197 0.000 2.021 606 E HA -0.151 4.084 4.350 -0.192 0.000 0.200 606 E C 1.909 178.314 176.600 -0.326 0.000 1.015 606 E CA 1.362 57.616 56.400 -0.242 0.000 0.824 606 E CB -0.117 29.337 29.700 -0.411 0.000 0.762 606 E HN 0.291 nan 8.360 nan 0.000 0.454 607 K N 0.339 120.391 120.400 -0.581 0.000 2.052 607 K HA -0.314 3.890 4.320 -0.192 0.000 0.215 607 K C 2.365 178.859 176.600 -0.177 0.000 1.053 607 K CA 1.933 57.836 56.287 -0.639 0.000 0.934 607 K CB -0.223 31.792 32.500 -0.809 0.000 0.717 607 K HN 0.196 nan 8.250 nan 0.000 0.450 608 Q N 0.983 120.697 119.800 -0.142 0.000 2.061 608 Q HA -0.260 3.965 4.340 -0.192 0.000 0.204 608 Q C 2.102 178.117 176.000 0.025 0.000 0.984 608 Q CA 1.742 57.517 55.803 -0.046 0.000 0.846 608 Q CB 0.023 28.725 28.738 -0.061 0.000 0.902 608 Q HN 0.402 nan 8.270 nan 0.000 0.421 609 Q N -0.483 119.346 119.800 0.050 0.000 2.079 609 Q HA -0.121 4.104 4.340 -0.192 0.000 0.200 609 Q C 2.236 178.393 176.000 0.262 0.000 0.974 609 Q CA 1.650 57.542 55.803 0.149 0.000 0.840 609 Q CB 0.092 28.942 28.738 0.186 0.000 0.898 609 Q HN 0.253 nan 8.270 nan 0.000 0.430 610 V N 0.091 120.173 119.914 0.279 0.000 2.332 610 V HA -0.323 3.681 4.120 -0.192 0.000 0.248 610 V C 2.136 178.463 176.094 0.388 0.000 1.055 610 V CA 1.503 64.041 62.300 0.396 0.000 1.038 610 V CB -0.477 31.577 31.823 0.385 0.000 0.651 610 V HN 0.524 nan 8.190 nan 0.000 0.450 611 C N -0.205 119.253 119.300 0.263 0.000 2.466 611 C HA -0.069 4.275 4.460 -0.192 0.000 0.283 611 C C 2.499 177.572 174.990 0.138 0.000 1.472 611 C CA 0.386 59.522 59.018 0.197 0.000 1.765 611 C CB -1.438 26.391 27.740 0.148 0.000 1.724 611 C HN 0.547 nan 8.230 nan 0.000 0.560 612 K N 0.304 120.760 120.400 0.093 0.000 2.283 612 K HA -0.057 4.147 4.320 -0.192 0.000 0.202 612 K C 1.044 177.623 176.600 -0.035 0.000 1.048 612 K CA 1.175 57.401 56.287 -0.100 0.000 0.948 612 K CB -0.225 32.009 32.500 -0.444 0.000 0.742 612 K HN 0.488 nan 8.250 nan 0.000 0.458 613 F N 0.682 120.703 119.950 0.117 0.000 2.816 613 F HA 0.009 4.420 4.527 -0.193 0.000 0.302 613 F C 1.243 177.089 175.800 0.075 0.000 1.178 613 F CA 0.230 58.296 58.000 0.110 0.000 1.421 613 F CB -0.021 39.013 39.000 0.058 0.000 1.114 613 F HN 0.031 nan 8.300 nan 0.000 0.573 614 I N -3.476 117.215 120.570 0.201 0.000 3.936 614 I HA 0.261 4.316 4.170 -0.192 0.000 0.330 614 I C 0.093 176.272 176.117 0.104 0.000 1.509 614 I CA -0.674 60.721 61.300 0.159 0.000 1.126 614 I CB -0.760 37.328 38.000 0.147 0.000 1.115 614 I HN -0.183 nan 8.210 nan 0.000 0.424 615 E N 1.061 121.309 120.200 0.080 0.000 2.404 615 E HA 0.222 4.456 4.350 -0.192 0.000 0.261 615 E C 0.982 177.613 176.600 0.052 0.000 1.074 615 E CA -0.068 56.364 56.400 0.053 0.000 0.917 615 E CB 1.374 31.101 29.700 0.046 0.000 0.965 615 E HN 0.317 nan 8.360 nan 0.000 0.433 616 I N 2.411 123.003 120.570 0.036 0.000 2.118 616 I HA -0.361 3.693 4.170 -0.192 0.000 0.241 616 I C 1.901 178.027 176.117 0.016 0.000 1.070 616 I CA 1.530 62.846 61.300 0.026 0.000 1.327 616 I CB -0.480 37.530 38.000 0.017 0.000 1.034 616 I HN 0.660 nan 8.210 nan 0.000 0.405 617 D N 1.087 121.491 120.400 0.007 0.000 2.116 617 D HA -0.277 4.247 4.640 -0.192 0.000 0.193 617 D C 2.156 178.435 176.300 -0.036 0.000 0.998 617 D CA 1.678 55.669 54.000 -0.016 0.000 0.836 617 D CB -0.611 40.177 40.800 -0.020 0.000 0.951 617 D HN 0.424 nan 8.370 nan 0.000 0.449 618 I N -0.157 120.390 120.570 -0.039 0.000 2.353 618 I HA -0.210 3.844 4.170 -0.192 0.000 0.248 618 I C 2.271 178.392 176.117 0.008 0.000 1.119 618 I CA 0.452 61.707 61.300 -0.074 0.000 1.417 618 I CB 0.056 37.959 38.000 -0.162 0.000 1.078 618 I HN -0.123 nan 8.210 nan 0.000 0.421 619 L N 0.683 121.944 121.223 0.064 0.000 2.017 619 L HA -0.245 3.980 4.340 -0.192 0.000 0.208 619 L C 2.378 179.284 176.870 0.060 0.000 1.073 619 L CA 1.842 56.767 54.840 0.141 0.000 0.745 619 L CB -0.918 41.225 42.059 0.141 0.000 0.894 619 L HN 0.146 nan 8.230 nan 0.000 0.432 620 K N -0.639 119.759 120.400 -0.003 0.000 2.032 620 K HA -0.263 3.941 4.320 -0.192 0.000 0.209 620 K C 2.138 178.698 176.600 -0.067 0.000 1.048 620 K CA 1.778 58.032 56.287 -0.056 0.000 0.927 620 K CB -0.170 32.309 32.500 -0.036 0.000 0.712 620 K HN 0.171 nan 8.250 nan 0.000 0.441 621 K N 1.135 121.512 120.400 -0.038 0.000 2.032 621 K HA -0.099 4.105 4.320 -0.192 0.000 0.209 621 K C 0.906 177.491 176.600 -0.025 0.000 1.048 621 K CA 0.813 57.078 56.287 -0.037 0.000 0.927 621 K CB -0.133 32.339 32.500 -0.046 0.000 0.712 621 K HN -0.031 nan 8.250 nan 0.000 0.441 625 C N 2.643 121.918 119.300 -0.043 0.000 2.411 625 C HA 0.183 4.528 4.460 -0.192 0.000 0.279 625 C C 2.442 177.378 174.990 -0.089 0.000 1.288 625 C CA 1.213 60.194 59.018 -0.062 0.000 1.764 625 C CB -1.633 26.081 27.740 -0.045 0.000 1.974 625 C HN 0.644 nan 8.230 nan 0.000 0.498 626 L N 0.943 122.145 121.223 -0.035 0.000 2.217 626 L HA -0.054 4.171 4.340 -0.192 0.000 0.211 626 L C 2.356 179.190 176.870 -0.061 0.000 1.107 626 L CA 1.819 56.640 54.840 -0.031 0.000 0.783 626 L CB -0.306 41.790 42.059 0.062 0.000 0.919 626 L HN 0.505 nan 8.230 nan 0.000 0.442 627 S N -3.166 112.538 115.700 0.007 0.000 2.666 627 S HA 0.069 4.424 4.470 -0.192 0.000 0.239 627 S C 0.684 175.262 174.600 -0.036 0.000 1.031 627 S CA -0.622 57.590 58.200 0.020 0.000 1.015 627 S CB -0.456 62.853 63.200 0.180 0.000 0.981 627 S HN 0.203 nan 8.310 nan 0.000 0.547 628 C N 3.126 122.381 119.300 -0.075 0.000 1.986 628 C HA 0.422 4.766 4.460 -0.192 0.000 0.404 628 C C 1.058 175.993 174.990 -0.092 0.000 1.551 628 C CA 1.387 60.353 59.018 -0.086 0.000 1.457 628 C CB -1.835 25.826 27.740 -0.131 0.000 2.639 628 C HN 0.844 nan 8.230 nan 0.000 0.590 633 T N 2.603 117.183 114.554 0.044 0.000 3.355 633 T HA 0.518 4.752 4.350 -0.192 0.000 0.324 633 T C -2.166 172.556 174.700 0.037 0.000 0.932 633 T CA -0.731 61.379 62.100 0.017 0.000 1.032 633 T CB 1.904 70.766 68.868 -0.010 0.000 1.027 633 T HN 0.216 nan 8.240 nan 0.000 0.456 634 P HA -0.022 nan 4.420 nan 0.000 0.219 634 P C 1.722 179.041 177.300 0.033 0.000 1.146 634 P CA 0.788 63.905 63.100 0.029 0.000 0.808 634 P CB 0.075 31.779 31.700 0.005 0.000 0.779 635 G N -0.460 108.346 108.800 0.011 0.000 2.484 635 G HA2 -0.189 3.656 3.960 -0.192 0.000 0.218 635 G HA3 -0.189 3.656 3.960 -0.192 0.000 0.218 635 G C 1.389 176.300 174.900 0.019 0.000 1.130 635 G CA 0.069 45.174 45.100 0.009 0.000 0.784 635 G HN 0.164 nan 8.290 nan 0.000 0.543 636 L N 0.483 121.721 121.223 0.025 0.000 2.010 636 L HA -0.148 4.077 4.340 -0.192 0.000 0.219 636 L C 2.629 179.523 176.870 0.040 0.000 1.077 636 L CA 1.831 56.667 54.840 -0.007 0.000 0.773 636 L CB -0.699 41.342 42.059 -0.030 0.000 0.892 636 L HN 0.250 nan 8.230 nan 0.000 0.436 637 L N -0.361 120.988 121.223 0.209 0.000 2.012 637 L HA -0.237 3.988 4.340 -0.192 0.000 0.210 637 L C 2.511 179.454 176.870 0.121 0.000 1.073 637 L CA 2.365 57.376 54.840 0.284 0.000 0.748 637 L CB -0.820 41.387 42.059 0.247 0.000 0.891 637 L HN 0.547 nan 8.230 nan 0.000 0.431 638 E N -0.887 119.353 120.200 0.066 0.000 2.208 638 E HA -0.225 4.010 4.350 -0.192 0.000 0.193 638 E C 2.031 178.637 176.600 0.010 0.000 0.988 638 E CA 1.279 57.696 56.400 0.028 0.000 0.828 638 E CB -0.408 29.302 29.700 0.017 0.000 0.763 638 E HN 0.466 nan 8.360 nan 0.000 0.478 639 L N 0.535 121.758 121.223 0.000 0.000 2.109 639 L HA 0.032 4.256 4.340 -0.192 0.000 0.207 639 L C 2.040 178.898 176.870 -0.019 0.000 1.086 639 L CA 1.614 56.441 54.840 -0.021 0.000 0.760 639 L CB -0.211 41.824 42.059 -0.039 0.000 0.910 639 L HN 0.006 nan 8.230 nan 0.000 0.437 640 R N -1.306 119.184 120.500 -0.018 0.000 2.115 640 R HA -0.049 4.175 4.340 -0.192 0.000 0.226 640 R C 2.468 178.793 176.300 0.042 0.000 1.100 640 R CA 1.101 57.197 56.100 -0.007 0.000 0.980 640 R CB -0.440 29.828 30.300 -0.053 0.000 0.875 640 R HN 0.414 nan 8.270 nan 0.000 0.445 641 S N -0.119 115.607 115.700 0.044 0.000 2.383 641 S HA -0.108 4.246 4.470 -0.192 0.000 0.227 641 S C 1.723 176.336 174.600 0.022 0.000 1.026 641 S CA 1.598 59.822 58.200 0.040 0.000 0.981 641 S CB -0.050 63.166 63.200 0.027 0.000 0.818 641 S HN 0.278 nan 8.310 nan 0.000 0.472 642 T N 1.976 116.530 114.554 -0.000 0.000 2.904 642 T HA 0.157 4.392 4.350 -0.192 0.000 0.267 642 T C 1.674 176.353 174.700 -0.034 0.000 1.059 642 T CA 0.997 63.080 62.100 -0.028 0.000 1.137 642 T CB -0.223 68.618 68.868 -0.045 0.000 0.879 642 T HN 0.361 nan 8.240 nan 0.000 0.467 643 I N 0.954 121.518 120.570 -0.010 0.000 2.179 643 I HA -0.139 3.916 4.170 -0.192 0.000 0.242 643 I C 2.158 178.337 176.117 0.104 0.000 1.088 643 I CA 1.210 62.509 61.300 -0.002 0.000 1.357 643 I CB -0.369 37.668 38.000 0.061 0.000 1.051 643 I HN 0.202 nan 8.210 nan 0.000 0.409 644 L N -0.090 121.221 121.223 0.147 0.000 2.079 644 L HA -0.217 4.007 4.340 -0.192 0.000 0.210 644 L C 2.744 179.695 176.870 0.135 0.000 1.081 644 L CA 1.127 56.081 54.840 0.190 0.000 0.752 644 L CB -0.710 41.428 42.059 0.132 0.000 0.896 644 L HN 0.225 nan 8.230 nan 0.000 0.433 645 R N -0.094 120.440 120.500 0.056 0.000 2.115 645 R HA -0.090 4.134 4.340 -0.192 0.000 0.230 645 R C 2.398 178.687 176.300 -0.018 0.000 1.111 645 R CA 1.386 57.495 56.100 0.015 0.000 0.976 645 R CB -0.241 30.047 30.300 -0.020 0.000 0.870 645 R HN 0.294 nan 8.270 nan 0.000 0.445 646 S N 0.377 116.033 115.700 -0.073 0.000 2.345 646 S HA -0.094 4.261 4.470 -0.192 0.000 0.220 646 S C 1.684 176.200 174.600 -0.141 0.000 1.031 646 S CA 1.181 59.274 58.200 -0.178 0.000 0.996 646 S CB -0.315 62.699 63.200 -0.311 0.000 0.882 646 S HN 0.211 nan 8.310 nan 0.000 0.445 647 F N 1.726 121.667 119.950 -0.015 0.000 2.126 647 F HA -0.077 4.335 4.527 -0.191 0.000 0.299 647 F C 2.057 177.852 175.800 -0.008 0.000 1.096 647 F CA 0.604 58.602 58.000 -0.004 0.000 1.255 647 F CB -0.729 38.272 39.000 0.002 0.000 0.997 647 F HN 0.165 nan 8.300 nan 0.000 0.479 648 I N -0.466 120.208 120.570 0.173 0.000 2.163 648 I HA -0.338 3.717 4.170 -0.192 0.000 0.243 648 I C 2.317 178.465 176.117 0.052 0.000 1.085 648 I CA 1.390 62.747 61.300 0.095 0.000 1.347 648 I CB -0.567 37.474 38.000 0.069 0.000 1.044 648 I HN 0.108 nan 8.210 nan 0.000 0.408 649 L N -0.079 121.155 121.223 0.019 0.000 2.027 649 L HA -0.196 4.028 4.340 -0.192 0.000 0.206 649 L C 2.548 179.410 176.870 -0.013 0.000 1.074 649 L CA 1.172 56.006 54.840 -0.009 0.000 0.745 649 L CB -0.562 41.473 42.059 -0.041 0.000 0.898 649 L HN 0.246 nan 8.230 nan 0.000 0.433 650 L N -0.307 120.909 121.223 -0.013 0.000 2.079 650 L HA -0.253 3.972 4.340 -0.192 0.000 0.210 650 L C 2.436 179.304 176.870 -0.003 0.000 1.081 650 L CA 1.339 56.174 54.840 -0.009 0.000 0.752 650 L CB -0.357 41.714 42.059 0.020 0.000 0.896 650 L HN 0.292 nan 8.230 nan 0.000 0.433 651 L N -1.172 120.076 121.223 0.041 0.000 2.313 651 L HA -0.082 4.142 4.340 -0.192 0.000 0.214 651 L C 2.391 179.260 176.870 -0.001 0.000 1.119 651 L CA 0.631 55.491 54.840 0.033 0.000 0.809 651 L CB -0.262 41.835 42.059 0.063 0.000 0.933 651 L HN 0.151 nan 8.230 nan 0.000 0.449 652 R N -0.519 119.978 120.500 -0.005 0.000 2.297 652 R HA 0.008 4.233 4.340 -0.192 0.000 0.197 652 R C 0.790 177.063 176.300 -0.045 0.000 0.943 652 R CA 0.322 56.416 56.100 -0.011 0.000 1.038 652 R CB 0.045 30.349 30.300 0.007 0.000 0.957 652 R HN 0.242 nan 8.270 nan 0.000 0.484 653 T N -0.967 113.522 114.554 -0.108 0.000 2.729 653 T HA 0.219 4.453 4.350 -0.192 0.000 0.296 653 T C -2.026 172.468 174.700 -0.343 0.000 0.928 653 T CA -2.168 59.789 62.100 -0.239 0.000 1.045 653 T CB 1.623 70.276 68.868 -0.359 0.000 0.902 653 T HN -0.192 nan 8.240 nan 0.000 0.500 654 P HA -0.102 nan 4.420 nan 0.000 0.216 654 P C 1.030 178.288 177.300 -0.070 0.000 1.153 654 P CA 1.150 64.198 63.100 -0.087 0.000 0.858 654 P CB -0.172 31.547 31.700 0.032 0.000 0.789 655 F N -2.834 117.115 119.950 -0.000 0.000 2.811 655 F HA 0.208 4.619 4.527 -0.193 0.000 0.301 655 F C 0.362 176.156 175.800 -0.010 0.000 1.151 655 F CA -0.481 57.504 58.000 -0.025 0.000 1.412 655 F CB -1.366 37.587 39.000 -0.077 0.000 1.113 655 F HN -0.364 nan 8.300 nan 0.000 0.579 656 V N 4.596 124.395 119.914 -0.192 0.000 2.461 656 V HA 0.226 4.231 4.120 -0.192 0.000 0.275 656 V C -1.866 174.235 176.094 0.013 0.000 1.047 656 V CA -1.893 60.380 62.300 -0.044 0.000 0.955 656 V CB 0.732 32.488 31.823 -0.111 0.000 0.988 656 V HN -0.011 nan 8.190 nan 0.000 0.471 657 P HA 0.241 nan 4.420 nan 0.000 0.271 657 P C -0.361 176.963 177.300 0.040 0.000 1.220 657 P CA -0.330 62.797 63.100 0.045 0.000 0.768 657 P CB 1.095 32.826 31.700 0.051 0.000 0.848 658 K N 1.443 121.861 120.400 0.029 0.000 2.354 658 K HA -0.000 4.204 4.320 -0.192 0.000 0.194 658 K C 1.129 177.741 176.600 0.020 0.000 1.038 658 K CA 0.739 57.042 56.287 0.026 0.000 1.052 658 K CB -0.116 32.394 32.500 0.017 0.000 0.861 658 K HN 0.474 nan 8.250 nan 0.000 0.535 659 D N -0.756 119.656 120.400 0.020 0.000 2.219 659 D HA -0.102 4.422 4.640 -0.192 0.000 0.205 659 D C 1.639 177.946 176.300 0.011 0.000 0.970 659 D CA 1.074 55.083 54.000 0.014 0.000 0.851 659 D CB -0.244 40.565 40.800 0.016 0.000 0.943 659 D HN 0.164 nan 8.370 nan 0.000 0.488 660 G N 0.129 108.940 108.800 0.019 0.000 2.880 660 G HA2 0.009 3.854 3.960 -0.192 0.000 0.209 660 G HA3 0.009 3.854 3.960 -0.192 0.000 0.209 660 G C 1.544 176.451 174.900 0.012 0.000 1.157 660 G CA 0.055 45.166 45.100 0.017 0.000 0.779 660 G HN 0.231 nan 8.290 nan 0.000 0.539 661 V N 1.003 120.924 119.914 0.011 0.000 2.307 661 V HA -0.061 3.944 4.120 -0.192 0.000 0.245 661 V C 2.514 178.580 176.094 -0.047 0.000 1.045 661 V CA 1.219 63.520 62.300 0.002 0.000 1.024 661 V CB -0.321 31.509 31.823 0.011 0.000 0.651 661 V HN 0.337 nan 8.190 nan 0.000 0.449 662 L N 0.576 121.762 121.223 -0.062 0.000 2.612 662 L HA 0.131 4.356 4.340 -0.192 0.000 0.230 662 L C 1.415 178.230 176.870 -0.093 0.000 1.140 662 L CA 0.221 54.998 54.840 -0.105 0.000 0.896 662 L CB -0.392 41.596 42.059 -0.118 0.000 1.065 662 L HN 0.373 nan 8.230 nan 0.000 0.447 663 N N -0.663 118.007 118.700 -0.049 0.000 2.280 663 N HA 0.062 4.686 4.740 -0.192 0.000 0.192 663 N C 0.150 175.647 175.510 -0.022 0.000 1.109 663 N CA 0.222 53.254 53.050 -0.030 0.000 0.855 663 N CB 0.810 39.291 38.487 -0.010 0.000 0.974 663 N HN -0.000 nan 8.380 nan 0.000 0.482 664 V N 2.968 122.865 119.914 -0.029 0.000 2.385 664 V HA 0.243 4.248 4.120 -0.192 0.000 0.269 664 V C 0.030 176.114 176.094 -0.015 0.000 1.043 664 V CA -0.325 61.966 62.300 -0.016 0.000 0.906 664 V CB 1.183 32.999 31.823 -0.012 0.000 0.995 664 V HN 0.012 nan 8.190 nan 0.000 0.467 665 I N 5.172 125.746 120.570 0.006 0.000 2.404 665 I HA 0.364 4.418 4.170 -0.192 0.000 0.293 665 I C 0.221 176.366 176.117 0.047 0.000 0.992 665 I CA -0.677 60.643 61.300 0.033 0.000 1.149 665 I CB 1.821 39.841 38.000 0.034 0.000 1.315 665 I HN 0.705 nan 8.210 nan 0.000 0.446 666 D N 4.634 125.092 120.400 0.096 0.000 2.344 666 D HA 0.123 4.647 4.640 -0.192 0.000 0.244 666 D C 0.650 176.994 176.300 0.075 0.000 1.134 666 D CA -0.102 53.947 54.000 0.081 0.000 0.930 666 D CB 1.580 42.458 40.800 0.131 0.000 1.175 666 D HN 0.647 nan 8.370 nan 0.000 0.437 667 E N 1.424 121.654 120.200 0.051 0.000 2.358 667 E HA -0.133 4.101 4.350 -0.192 0.000 0.195 667 E C 1.493 178.121 176.600 0.046 0.000 1.010 667 E CA 0.557 56.981 56.400 0.041 0.000 0.856 667 E CB -0.561 29.155 29.700 0.027 0.000 0.795 667 E HN 0.597 nan 8.360 nan 0.000 0.504 668 N N -0.530 118.207 118.700 0.061 0.000 2.244 668 N HA -0.010 4.614 4.740 -0.192 0.000 0.189 668 N C 2.015 177.558 175.510 0.054 0.000 1.047 668 N CA 0.719 53.803 53.050 0.057 0.000 0.870 668 N CB 0.109 38.636 38.487 0.066 0.000 1.041 668 N HN 0.226 nan 8.380 nan 0.000 0.448 669 R N 0.774 121.315 120.500 0.068 0.000 2.276 669 R HA 0.090 4.315 4.340 -0.192 0.000 0.196 669 R C -0.162 176.154 176.300 0.026 0.000 0.961 669 R CA 0.076 56.188 56.100 0.021 0.000 1.024 669 R CB 0.251 30.513 30.300 -0.063 0.000 0.940 669 R HN 0.062 nan 8.270 nan 0.000 0.480 670 K N 1.197 121.632 120.400 0.059 0.000 3.096 670 K HA -0.198 4.007 4.320 -0.192 0.000 0.266 670 K C -0.987 175.650 176.600 0.062 0.000 1.043 670 K CA 0.895 57.219 56.287 0.062 0.000 0.758 670 K CB -1.355 31.176 32.500 0.051 0.000 1.260 670 K HN 0.376 nan 8.250 nan 0.000 0.481 671 E N -0.149 120.090 120.200 0.064 0.000 2.299 671 E HA 0.367 4.601 4.350 -0.192 0.000 0.265 671 E C 0.120 176.778 176.600 0.097 0.000 0.911 671 E CA -1.148 55.266 56.400 0.023 0.000 0.789 671 E CB 1.139 30.730 29.700 -0.181 0.000 1.246 671 E HN 0.340 nan 8.360 nan 0.000 0.427 672 N N 1.108 119.803 118.700 -0.009 0.000 2.566 672 N HA 0.037 4.662 4.740 -0.192 0.000 0.299 672 N C 0.725 176.252 175.510 0.029 0.000 1.277 672 N CA -0.497 52.529 53.050 -0.040 0.000 0.965 672 N CB 0.198 38.549 38.487 -0.227 0.000 1.142 672 N HN 0.458 nan 8.380 nan 0.000 0.596 673 L N -0.161 121.010 121.223 -0.087 0.000 2.081 673 L HA -0.105 4.119 4.340 -0.192 0.000 0.212 673 L C 1.931 178.733 176.870 -0.114 0.000 1.080 673 L CA 1.554 56.309 54.840 -0.142 0.000 0.754 673 L CB -0.684 41.187 42.059 -0.312 0.000 0.893 673 L HN 0.564 nan 8.230 nan 0.000 0.433 674 I N -0.414 120.066 120.570 -0.151 0.000 2.226 674 I HA -0.185 3.869 4.170 -0.192 0.000 0.245 674 I C 2.588 178.661 176.117 -0.074 0.000 1.100 674 I CA 1.429 62.660 61.300 -0.114 0.000 1.374 674 I CB -2.323 35.614 38.000 -0.107 0.000 1.057 674 I HN 0.385 nan 8.210 nan 0.000 0.413 675 G N 0.372 109.125 108.800 -0.080 0.000 2.418 675 G HA2 -0.221 3.624 3.960 -0.192 0.000 0.217 675 G HA3 -0.221 3.624 3.960 -0.192 0.000 0.217 675 G C 1.571 176.379 174.900 -0.153 0.000 1.158 675 G CA 0.484 45.513 45.100 -0.117 0.000 0.771 675 G HN 0.425 nan 8.290 nan 0.000 0.545 676 H N 0.321 119.358 119.070 -0.055 0.000 2.387 676 H HA 0.014 4.455 4.556 -0.192 0.000 0.299 676 H C 2.715 178.027 175.328 -0.026 0.000 1.090 676 H CA 1.137 57.160 56.048 -0.040 0.000 1.332 676 H CB -0.008 29.722 29.762 -0.054 0.000 1.386 676 H HN 0.327 nan 8.280 nan 0.000 0.516 677 I N 0.234 120.840 120.570 0.061 0.000 2.226 677 I HA -0.287 3.767 4.170 -0.192 0.000 0.245 677 I C 2.567 178.726 176.117 0.071 0.000 1.100 677 I CA 0.900 62.224 61.300 0.040 0.000 1.374 677 I CB -0.182 37.803 38.000 -0.025 0.000 1.057 677 I HN 0.237 nan 8.210 nan 0.000 0.413 678 C N 0.433 119.747 119.300 0.023 0.000 2.450 678 C HA -0.020 4.324 4.460 -0.192 0.000 0.279 678 C C 3.144 178.216 174.990 0.136 0.000 1.335 678 C CA 0.653 59.700 59.018 0.048 0.000 1.749 678 C CB -1.179 26.526 27.740 -0.059 0.000 1.963 678 C HN 0.583 nan 8.230 nan 0.000 0.501 679 A N 0.683 123.549 122.820 0.077 0.000 1.933 679 A HA 0.057 4.261 4.320 -0.192 0.000 0.218 679 A C 2.341 180.036 177.584 0.185 0.000 1.175 679 A CA 1.993 54.090 52.037 0.100 0.000 0.628 679 A CB -0.745 18.266 19.000 0.018 0.000 0.814 679 A HN 0.562 nan 8.150 nan 0.000 0.444 680 A N -1.849 121.077 122.820 0.177 0.000 1.969 680 A HA -0.030 4.175 4.320 -0.192 0.000 0.218 680 A C 2.100 179.914 177.584 0.384 0.000 1.169 680 A CA 1.494 53.665 52.037 0.223 0.000 0.635 680 A CB -0.666 18.414 19.000 0.134 0.000 0.810 680 A HN 0.682 nan 8.150 nan 0.000 0.445 681 Y N 1.065 121.490 120.300 0.208 0.000 2.184 681 Y HA -0.153 4.281 4.550 -0.193 0.000 0.290 681 Y C 2.752 178.857 175.900 0.343 0.000 1.129 681 Y CA 1.809 60.052 58.100 0.239 0.000 1.144 681 Y CB -0.319 38.267 38.460 0.210 0.000 0.995 681 Y HN 0.301 nan 8.280 nan 0.000 0.513 682 S N -0.222 115.729 115.700 0.418 0.000 2.387 682 S HA -0.281 4.074 4.470 -0.192 0.000 0.230 682 S C 1.550 176.308 174.600 0.264 0.000 1.035 682 S CA 1.576 59.959 58.200 0.306 0.000 1.014 682 S CB -0.920 62.422 63.200 0.235 0.000 0.836 682 S HN 0.789 nan 8.310 nan 0.000 0.466 683 W N 1.549 122.895 121.300 0.077 0.000 2.402 683 W HA -0.030 4.514 4.660 -0.193 0.000 0.286 683 W C 2.030 178.527 176.519 -0.036 0.000 1.221 683 W CA 0.594 57.954 57.345 0.026 0.000 1.257 683 W CB -0.436 29.037 29.460 0.023 0.000 1.120 683 W HN 0.049 nan 8.180 nan 0.000 0.551 684 V N 0.727 120.572 119.914 -0.115 0.000 2.667 684 V HA -0.200 3.804 4.120 -0.192 0.000 0.252 684 V C 1.785 177.496 176.094 -0.638 0.000 1.065 684 V CA 1.657 63.641 62.300 -0.528 0.000 1.083 684 V CB -0.626 30.960 31.823 -0.394 0.000 0.692 684 V HN 0.152 nan 8.190 nan 0.000 0.468 685 F N -0.108 119.669 119.950 -0.288 0.000 2.615 685 F HA 0.147 4.559 4.527 -0.192 0.000 0.297 685 F C 2.357 178.024 175.800 -0.222 0.000 1.124 685 F CA 0.714 58.566 58.000 -0.247 0.000 1.451 685 F CB -0.173 38.691 39.000 -0.227 0.000 1.103 685 F HN -0.006 nan 8.300 nan 0.000 0.569 686 R N -0.313 120.115 120.500 -0.119 0.000 2.297 686 R HA 0.056 4.280 4.340 -0.192 0.000 0.197 686 R C 0.468 176.615 176.300 -0.256 0.000 0.943 686 R CA 0.041 56.057 56.100 -0.141 0.000 1.038 686 R CB 0.052 30.298 30.300 -0.091 0.000 0.957 686 R HN 0.141 nan 8.270 nan 0.000 0.484 687 Q N 0.995 120.544 119.800 -0.418 0.000 2.354 687 Q HA 0.208 4.432 4.340 -0.192 0.000 0.244 687 Q C -2.203 173.647 176.000 -0.251 0.000 0.969 687 Q CA -2.206 53.338 55.803 -0.432 0.000 0.885 687 Q CB 0.181 28.537 28.738 -0.638 0.000 1.241 687 Q HN -0.037 nan 8.270 nan 0.000 0.461 688 P HA 0.034 nan 4.420 nan 0.000 0.266 688 P C -0.569 176.656 177.300 -0.125 0.000 1.195 688 P CA 0.032 63.057 63.100 -0.124 0.000 0.768 688 P CB 0.486 32.130 31.700 -0.094 0.000 0.838 689 N N 3.066 121.709 118.700 -0.095 0.000 2.514 689 N HA 0.201 4.826 4.740 -0.192 0.000 0.277 689 N C -0.214 175.255 175.510 -0.070 0.000 1.126 689 N CA 0.362 53.360 53.050 -0.086 0.000 0.978 689 N CB 0.244 38.692 38.487 -0.065 0.000 1.106 689 N HN 0.430 nan 8.380 nan 0.000 0.461 690 N N 0.020 118.678 118.700 -0.070 0.000 2.516 690 N HA 0.099 4.724 4.740 -0.192 0.000 0.268 690 N C 0.039 175.517 175.510 -0.053 0.000 1.096 690 N CA -0.225 52.791 53.050 -0.057 0.000 0.954 690 N CB 1.114 39.566 38.487 -0.059 0.000 1.676 690 N HN 0.226 nan 8.380 nan 0.000 0.490 691 T N 1.562 116.092 114.554 -0.040 0.000 2.915 691 T HA -0.051 4.183 4.350 -0.192 0.000 0.269 691 T C 1.669 176.347 174.700 -0.035 0.000 1.071 691 T CA 1.023 63.102 62.100 -0.036 0.000 1.132 691 T CB 0.247 69.099 68.868 -0.027 0.000 0.878 691 T HN 0.448 nan 8.240 nan 0.000 0.479 692 R N 0.974 121.453 120.500 -0.034 0.000 2.119 692 R HA -0.041 4.184 4.340 -0.192 0.000 0.222 692 R C 2.422 178.700 176.300 -0.036 0.000 1.088 692 R CA 1.534 57.616 56.100 -0.030 0.000 0.984 692 R CB -0.048 30.238 30.300 -0.024 0.000 0.884 692 R HN 0.515 nan 8.270 nan 0.000 0.447 693 T N -2.627 111.898 114.554 -0.049 0.000 3.022 693 T HA 0.075 4.310 4.350 -0.192 0.000 0.250 693 T C 1.583 176.237 174.700 -0.077 0.000 1.060 693 T CA -0.328 61.737 62.100 -0.058 0.000 1.013 693 T CB 0.378 69.205 68.868 -0.069 0.000 0.982 693 T HN -0.039 nan 8.240 nan 0.000 0.508 694 Q N 1.748 121.502 119.800 -0.076 0.000 2.112 694 Q HA -0.111 4.114 4.340 -0.192 0.000 0.206 694 Q C 2.481 178.429 176.000 -0.087 0.000 0.987 694 Q CA 1.727 57.478 55.803 -0.087 0.000 0.858 694 Q CB -0.903 27.794 28.738 -0.069 0.000 0.905 694 Q HN 0.606 nan 8.270 nan 0.000 0.420 695 S N -0.802 114.857 115.700 -0.068 0.000 2.359 695 S HA -0.139 4.215 4.470 -0.192 0.000 0.224 695 S C 1.837 176.394 174.600 -0.072 0.000 1.035 695 S CA 1.878 60.039 58.200 -0.065 0.000 1.018 695 S CB -0.100 63.072 63.200 -0.047 0.000 0.876 695 S HN 0.513 nan 8.310 nan 0.000 0.448 696 T N 1.613 116.130 114.554 -0.063 0.000 2.896 696 T HA 0.050 4.285 4.350 -0.192 0.000 0.263 696 T C 1.786 176.443 174.700 -0.071 0.000 1.050 696 T CA 0.968 63.037 62.100 -0.052 0.000 1.140 696 T CB -0.147 68.705 68.868 -0.027 0.000 0.877 696 T HN 0.409 nan 8.240 nan 0.000 0.457 697 K N 1.014 121.349 120.400 -0.108 0.000 2.032 697 K HA -0.176 4.028 4.320 -0.192 0.000 0.209 697 K C 2.529 179.015 176.600 -0.189 0.000 1.048 697 K CA 1.413 57.596 56.287 -0.173 0.000 0.927 697 K CB -0.167 32.191 32.500 -0.237 0.000 0.712 697 K HN 0.152 nan 8.250 nan 0.000 0.441 698 Q N 1.550 121.248 119.800 -0.169 0.000 2.124 698 Q HA -0.237 3.988 4.340 -0.192 0.000 0.202 698 Q C 1.989 177.877 176.000 -0.187 0.000 0.977 698 Q CA 2.051 57.741 55.803 -0.188 0.000 0.850 698 Q CB -0.129 28.506 28.738 -0.171 0.000 0.901 698 Q HN 0.482 nan 8.270 nan 0.000 0.429 699 Q N -0.694 119.028 119.800 -0.129 0.000 2.172 699 Q HA -0.113 4.111 4.340 -0.192 0.000 0.200 699 Q C 2.064 178.034 176.000 -0.051 0.000 0.964 699 Q CA 1.209 56.953 55.803 -0.098 0.000 0.855 699 Q CB -0.417 28.282 28.738 -0.066 0.000 0.918 699 Q HN 0.510 nan 8.270 nan 0.000 0.444 700 L N 0.546 121.747 121.223 -0.037 0.000 2.046 700 L HA -0.135 4.089 4.340 -0.192 0.000 0.208 700 L C 2.191 179.100 176.870 0.065 0.000 1.077 700 L CA 0.898 55.750 54.840 0.021 0.000 0.747 700 L CB -0.140 41.937 42.059 0.030 0.000 0.896 700 L HN 0.157 nan 8.230 nan 0.000 0.432 701 V N 0.100 120.021 119.914 0.011 0.000 2.261 701 V HA -0.304 3.701 4.120 -0.192 0.000 0.246 701 V C 2.417 178.614 176.094 0.172 0.000 1.047 701 V CA 2.228 64.612 62.300 0.140 0.000 1.015 701 V CB -0.570 31.276 31.823 0.038 0.000 0.642 701 V HN 0.495 nan 8.190 nan 0.000 0.446 702 E N -0.351 119.833 120.200 -0.027 0.000 2.118 702 E HA -0.235 3.999 4.350 -0.192 0.000 0.195 702 E C 2.454 179.122 176.600 0.113 0.000 0.992 702 E CA 1.251 57.644 56.400 -0.011 0.000 0.804 702 E CB -0.143 29.434 29.700 -0.205 0.000 0.741 702 E HN 0.515 nan 8.360 nan 0.000 0.458 703 R N -0.219 120.329 120.500 0.080 0.000 2.153 703 R HA -0.004 4.220 4.340 -0.192 0.000 0.218 703 R C 2.338 178.703 176.300 0.108 0.000 1.072 703 R CA 1.144 57.296 56.100 0.086 0.000 0.990 703 R CB -0.049 30.289 30.300 0.064 0.000 0.889 703 R HN 0.083 nan 8.270 nan 0.000 0.452 704 T N 1.666 116.305 114.554 0.142 0.000 2.674 704 T HA -0.104 4.130 4.350 -0.192 0.000 0.265 704 T C 1.801 176.542 174.700 0.069 0.000 1.039 704 T CA 1.080 63.254 62.100 0.123 0.000 1.150 704 T CB -0.050 68.949 68.868 0.218 0.000 0.864 704 T HN 0.028 nan 8.240 nan 0.000 0.427 705 I N 1.236 121.880 120.570 0.124 0.000 2.179 705 I HA -0.100 3.955 4.170 -0.192 0.000 0.242 705 I C 2.715 178.881 176.117 0.082 0.000 1.088 705 I CA 1.110 62.468 61.300 0.097 0.000 1.357 705 I CB -1.603 36.512 38.000 0.192 0.000 1.051 705 I HN 0.207 nan 8.210 nan 0.000 0.409 706 S N 0.659 116.426 115.700 0.112 0.000 2.383 706 S HA -0.164 4.191 4.470 -0.192 0.000 0.229 706 S C 1.953 176.590 174.600 0.062 0.000 1.030 706 S CA 1.162 59.416 58.200 0.090 0.000 1.002 706 S CB -0.294 62.964 63.200 0.097 0.000 0.829 706 S HN 0.347 nan 8.310 nan 0.000 0.467 707 L N 1.405 122.662 121.223 0.057 0.000 2.156 707 L HA 0.184 4.409 4.340 -0.192 0.000 0.208 707 L C 1.918 178.795 176.870 0.010 0.000 1.095 707 L CA 1.462 56.327 54.840 0.041 0.000 0.770 707 L CB -0.610 41.478 42.059 0.047 0.000 0.914 707 L HN 0.337 nan 8.230 nan 0.000 0.439 708 L N -1.349 119.874 121.223 -0.000 0.000 2.083 708 L HA -0.230 3.995 4.340 -0.192 0.000 0.209 708 L C 2.472 179.341 176.870 -0.001 0.000 1.083 708 L CA 1.145 55.975 54.840 -0.016 0.000 0.752 708 L CB -0.558 41.482 42.059 -0.032 0.000 0.899 708 L HN 0.287 nan 8.230 nan 0.000 0.433 709 L N -1.070 120.160 121.223 0.013 0.000 2.046 709 L HA -0.190 4.034 4.340 -0.192 0.000 0.208 709 L C 2.527 179.410 176.870 0.021 0.000 1.077 709 L CA 0.875 55.726 54.840 0.019 0.000 0.747 709 L CB -0.482 41.594 42.059 0.028 0.000 0.896 709 L HN 0.065 nan 8.230 nan 0.000 0.432 710 V N 0.080 120.009 119.914 0.025 0.000 2.343 710 V HA -0.204 3.801 4.120 -0.192 0.000 0.247 710 V C 1.620 177.722 176.094 0.014 0.000 1.051 710 V CA 0.952 63.268 62.300 0.026 0.000 1.036 710 V CB -0.296 31.549 31.823 0.037 0.000 0.654 710 V HN 0.174 nan 8.190 nan 0.000 0.451 714 Q N 0.124 119.933 119.800 0.014 0.000 2.212 714 Q HA 0.164 4.389 4.340 -0.192 0.000 0.199 714 Q C 1.351 177.356 176.000 0.009 0.000 0.950 714 Q CA 1.615 57.425 55.803 0.013 0.000 0.863 714 Q CB 0.320 29.066 28.738 0.014 0.000 0.944 714 Q HN 0.414 nan 8.270 nan 0.000 0.465 715 C N -0.656 118.646 119.300 0.002 0.000 2.906 715 C HA 0.449 4.794 4.460 -0.192 0.000 0.274 715 C C 1.122 176.110 174.990 -0.003 0.000 1.257 715 C CA -0.134 58.883 59.018 -0.002 0.000 1.695 715 C CB -0.909 26.823 27.740 -0.014 0.000 1.958 715 C HN 0.623 nan 8.230 nan 0.000 0.619 716 G N 1.595 110.395 108.800 0.001 0.000 2.393 716 G HA2 -0.023 3.822 3.960 -0.192 0.000 0.299 716 G HA3 -0.023 3.822 3.960 -0.192 0.000 0.299 716 G C 0.278 175.172 174.900 -0.011 0.000 0.990 716 G CA 0.556 45.656 45.100 0.001 0.000 1.118 716 G HN 1.013 nan 8.290 nan 0.000 0.513 717 A N -0.463 122.343 122.820 -0.023 0.000 2.674 717 A HA 0.646 4.851 4.320 -0.192 0.000 0.286 717 A C 1.055 178.596 177.584 -0.072 0.000 0.980 717 A CA 1.003 53.018 52.037 -0.037 0.000 1.028 717 A CB 0.206 19.189 19.000 -0.027 0.000 1.199 717 A HN 0.525 nan 8.150 nan 0.000 0.499 718 E N 0.793 120.929 120.200 -0.106 0.000 2.070 718 E HA -0.255 3.980 4.350 -0.192 0.000 0.197 718 E C 2.439 178.793 176.600 -0.409 0.000 1.004 718 E CA 2.219 58.506 56.400 -0.188 0.000 0.805 718 E CB -0.032 29.591 29.700 -0.129 0.000 0.744 718 E HN 0.638 nan 8.360 nan 0.000 0.451 719 K N 1.096 121.168 120.400 -0.546 0.000 1.991 719 K HA -0.235 3.970 4.320 -0.192 0.000 0.212 719 K C 1.828 178.329 176.600 -0.166 0.000 1.049 719 K CA 1.851 57.827 56.287 -0.519 0.000 0.932 719 K CB -1.075 31.274 32.500 -0.251 0.000 0.717 719 K HN 0.367 nan 8.250 nan 0.000 0.441 720 E N 0.053 120.225 120.200 -0.045 0.000 2.085 720 E HA -0.142 4.093 4.350 -0.192 0.000 0.194 720 E C 2.077 178.807 176.600 0.215 0.000 0.994 720 E CA 1.349 57.832 56.400 0.139 0.000 0.801 720 E CB -0.157 29.633 29.700 0.149 0.000 0.743 720 E HN 0.262 nan 8.360 nan 0.000 0.453 721 V N 1.150 121.107 119.914 0.072 0.000 2.287 721 V HA -0.300 3.705 4.120 -0.192 0.000 0.248 721 V C 2.435 178.579 176.094 0.084 0.000 1.053 721 V CA 1.911 64.251 62.300 0.066 0.000 1.027 721 V CB -0.820 31.003 31.823 0.000 0.000 0.646 721 V HN 0.463 nan 8.190 nan 0.000 0.447 722 A N 0.567 123.406 122.820 0.032 0.000 1.877 722 A HA -0.293 3.911 4.320 -0.192 0.000 0.216 722 A C 2.248 179.877 177.584 0.075 0.000 1.186 722 A CA 2.060 54.130 52.037 0.055 0.000 0.620 722 A CB -0.546 18.479 19.000 0.042 0.000 0.822 722 A HN 0.765 nan 8.150 nan 0.000 0.443 723 Q N -2.292 117.534 119.800 0.045 0.000 2.172 723 Q HA -0.152 4.073 4.340 -0.192 0.000 0.200 723 Q C 1.575 177.601 176.000 0.043 0.000 0.964 723 Q CA 1.577 57.378 55.803 -0.003 0.000 0.855 723 Q CB -0.531 28.141 28.738 -0.111 0.000 0.918 723 Q HN 0.696 nan 8.270 nan 0.000 0.444 724 Y N 1.428 121.796 120.300 0.114 0.000 2.583 724 Y HA 0.104 4.539 4.550 -0.192 0.000 0.293 724 Y C 1.597 177.498 175.900 0.001 0.000 1.157 724 Y CA 0.603 58.781 58.100 0.131 0.000 1.315 724 Y CB 0.607 39.094 38.460 0.046 0.000 1.021 724 Y HN 0.089 nan 8.280 nan 0.000 0.536 725 S N -0.210 115.567 115.700 0.129 0.000 2.710 725 S HA -0.054 4.300 4.470 -0.192 0.000 0.224 725 S C 1.335 175.939 174.600 0.007 0.000 0.948 725 S CA -0.154 58.055 58.200 0.015 0.000 0.949 725 S CB -0.833 62.402 63.200 0.058 0.000 0.778 725 S HN 0.670 nan 8.310 nan 0.000 0.498 726 Y N 1.687 122.030 120.300 0.070 0.000 2.274 726 Y HA -0.137 4.298 4.550 -0.192 0.000 0.290 726 Y C 2.164 178.121 175.900 0.096 0.000 1.145 726 Y CA 1.029 59.172 58.100 0.072 0.000 1.203 726 Y CB -1.211 37.261 38.460 0.021 0.000 0.984 726 Y HN 0.331 nan 8.280 nan 0.000 0.533 727 S N 0.329 115.765 115.700 -0.441 0.000 2.481 727 S HA 0.015 4.369 4.470 -0.192 0.000 0.231 727 S C 0.656 175.252 174.600 -0.007 0.000 0.996 727 S CA 0.133 58.228 58.200 -0.175 0.000 0.942 727 S CB -0.880 62.146 63.200 -0.290 0.000 0.768 727 S HN 0.420 nan 8.310 nan 0.000 0.520 728 I N 2.932 123.499 120.570 -0.006 0.000 2.337 728 I HA 0.199 4.254 4.170 -0.192 0.000 0.291 728 I C 0.244 176.414 176.117 0.088 0.000 1.046 728 I CA -0.453 60.871 61.300 0.040 0.000 1.324 728 I CB 0.660 38.608 38.000 -0.085 0.000 1.409 728 I HN 0.129 nan 8.210 nan 0.000 0.494 729 D N 5.269 125.700 120.400 0.051 0.000 2.360 729 D HA -0.021 4.504 4.640 -0.192 0.000 0.242 729 D C -0.209 175.914 176.300 -0.295 0.000 1.184 729 D CA -0.483 53.497 54.000 -0.033 0.000 0.930 729 D CB 1.025 41.785 40.800 -0.067 0.000 1.161 729 D HN 0.545 nan 8.370 nan 0.000 0.447 730 C N 3.897 122.743 119.300 -0.758 0.000 2.067 730 C HA 0.006 4.351 4.460 -0.192 0.000 0.408 730 C C -1.201 173.385 174.990 -0.673 0.000 1.539 730 C CA -1.078 57.114 59.018 -1.377 0.000 1.434 730 C CB -0.599 26.348 27.740 -1.322 0.000 2.621 730 C HN 0.467 nan 8.230 nan 0.000 0.610 731 P HA -0.068 nan 4.420 nan 0.000 0.226 731 P C 1.441 178.612 177.300 -0.215 0.000 1.153 731 P CA 0.542 63.497 63.100 -0.242 0.000 0.777 731 P CB 0.010 31.600 31.700 -0.184 0.000 0.794 732 L N 0.112 121.158 121.223 -0.295 0.000 2.141 732 L HA -0.066 4.159 4.340 -0.192 0.000 0.209 732 L C 1.403 178.175 176.870 -0.164 0.000 1.094 732 L CA 1.756 56.473 54.840 -0.205 0.000 0.763 732 L CB -1.209 40.745 42.059 -0.176 0.000 0.908 732 L HN -0.092 nan 8.230 nan 0.000 0.437 733 N N -0.551 118.041 118.700 -0.180 0.000 2.609 733 N HA -0.116 4.509 4.740 -0.192 0.000 0.190 733 N C 1.490 176.962 175.510 -0.063 0.000 1.157 733 N CA 0.502 53.475 53.050 -0.128 0.000 0.918 733 N CB -0.154 38.239 38.487 -0.157 0.000 0.978 733 N HN 0.261 nan 8.380 nan 0.000 0.448 734 L N 0.266 121.474 121.223 -0.025 0.000 2.313 734 L HA 0.090 4.314 4.340 -0.192 0.000 0.214 734 L C 1.729 178.670 176.870 0.118 0.000 1.119 734 L CA 0.898 55.803 54.840 0.109 0.000 0.809 734 L CB -0.439 41.754 42.059 0.223 0.000 0.933 734 L HN 0.164 nan 8.230 nan 0.000 0.449 735 L N -0.857 120.369 121.223 0.004 0.000 2.591 735 L HA 0.019 4.244 4.340 -0.192 0.000 0.228 735 L C 1.918 178.796 176.870 0.014 0.000 1.133 735 L CA -0.062 54.778 54.840 0.001 0.000 0.880 735 L CB -0.547 41.461 42.059 -0.086 0.000 1.033 735 L HN 0.265 nan 8.230 nan 0.000 0.450 736 N N 1.379 120.085 118.700 0.009 0.000 2.104 736 N HA -0.119 4.506 4.740 -0.192 0.000 0.190 736 N C 1.226 176.749 175.510 0.022 0.000 1.024 736 N CA 1.371 54.423 53.050 0.003 0.000 0.853 736 N CB -0.040 38.441 38.487 -0.009 0.000 1.008 736 N HN 0.291 nan 8.380 nan 0.000 0.424 737 G N -0.415 108.412 108.800 0.046 0.000 2.468 737 G HA2 -0.074 3.770 3.960 -0.192 0.000 0.264 737 G HA3 -0.074 3.770 3.960 -0.192 0.000 0.264 737 G C 0.260 175.190 174.900 0.050 0.000 1.460 737 G CA -0.279 44.849 45.100 0.046 0.000 1.060 737 G HN 0.358 nan 8.290 nan 0.000 0.543 738 N N 0.442 119.171 118.700 0.048 0.000 2.575 738 N HA 0.089 4.714 4.740 -0.192 0.000 0.275 738 N C -0.037 175.514 175.510 0.069 0.000 1.202 738 N CA -0.175 52.904 53.050 0.049 0.000 0.945 738 N CB -0.037 38.470 38.487 0.033 0.000 1.247 738 N HN 0.204 nan 8.380 nan 0.000 0.510 739 Q N 0.432 120.294 119.800 0.104 0.000 2.286 739 Q HA 0.076 4.300 4.340 -0.192 0.000 0.265 739 Q C 0.967 177.059 176.000 0.153 0.000 1.080 739 Q CA -0.002 55.897 55.803 0.160 0.000 0.906 739 Q CB 1.370 30.294 28.738 0.309 0.000 1.227 739 Q HN 0.111 nan 8.270 nan 0.000 0.409 740 V N 2.325 122.316 119.914 0.130 0.000 3.085 740 V HA -0.012 3.993 4.120 -0.192 0.000 0.245 740 V C 0.972 177.148 176.094 0.136 0.000 1.114 740 V CA 0.310 62.680 62.300 0.117 0.000 1.108 740 V CB -0.021 31.852 31.823 0.083 0.000 0.798 740 V HN 0.637 nan 8.190 nan 0.000 0.471 741 K N 2.876 123.367 120.400 0.153 0.000 2.405 741 K HA -0.032 4.173 4.320 -0.192 0.000 0.276 741 K C -1.201 175.504 176.600 0.174 0.000 1.099 741 K CA -0.606 55.772 56.287 0.152 0.000 1.120 741 K CB 0.812 33.395 32.500 0.139 0.000 0.877 741 K HN 0.157 nan 8.250 nan 0.000 0.472 742 P HA -0.182 nan 4.420 nan 0.000 0.217 742 P C 1.216 178.575 177.300 0.099 0.000 1.150 742 P CA 1.248 64.404 63.100 0.092 0.000 0.832 742 P CB 0.102 31.856 31.700 0.091 0.000 0.787 743 T N -1.753 112.875 114.554 0.124 0.000 2.821 743 T HA -0.161 4.074 4.350 -0.192 0.000 0.267 743 T C 1.574 176.400 174.700 0.211 0.000 1.046 743 T CA 0.755 62.944 62.100 0.148 0.000 1.139 743 T CB -0.834 68.106 68.868 0.121 0.000 0.871 743 T HN -0.127 nan 8.240 nan 0.000 0.454 744 F N 1.465 121.449 119.950 0.058 0.000 2.146 744 F HA 0.145 4.557 4.527 -0.192 0.000 0.298 744 F C 1.877 177.701 175.800 0.039 0.000 1.096 744 F CA 0.760 58.789 58.000 0.049 0.000 1.275 744 F CB -0.577 38.447 39.000 0.041 0.000 1.008 744 F HN 0.198 nan 8.300 nan 0.000 0.480 745 I N -0.255 120.233 120.570 -0.137 0.000 2.163 745 I HA -0.360 3.694 4.170 -0.192 0.000 0.243 745 I C 2.512 178.532 176.117 -0.161 0.000 1.085 745 I CA 2.010 63.165 61.300 -0.242 0.000 1.347 745 I CB -0.785 37.127 38.000 -0.147 0.000 1.044 745 I HN 0.220 nan 8.210 nan 0.000 0.408 746 H N 1.282 120.276 119.070 -0.126 0.000 2.353 746 H HA -0.131 4.309 4.556 -0.193 0.000 0.300 746 H C 2.053 177.341 175.328 -0.068 0.000 1.090 746 H CA 1.857 57.856 56.048 -0.082 0.000 1.327 746 H CB -0.023 29.717 29.762 -0.036 0.000 1.383 746 H HN 0.197 nan 8.280 nan 0.000 0.508 747 N N -0.087 118.568 118.700 -0.075 0.000 2.084 747 N HA -0.142 4.483 4.740 -0.192 0.000 0.190 747 N C 2.136 177.546 175.510 -0.167 0.000 1.030 747 N CA 1.370 54.362 53.050 -0.097 0.000 0.849 747 N CB -0.597 37.916 38.487 0.043 0.000 1.012 747 N HN 0.221 nan 8.380 nan 0.000 0.423 748 V N 1.515 121.275 119.914 -0.256 0.000 2.287 748 V HA -0.190 3.814 4.120 -0.192 0.000 0.248 748 V C 2.357 178.344 176.094 -0.179 0.000 1.053 748 V CA 1.265 63.408 62.300 -0.262 0.000 1.027 748 V CB -0.531 31.028 31.823 -0.440 0.000 0.646 748 V HN 0.241 nan 8.190 nan 0.000 0.447 749 L N -0.644 120.465 121.223 -0.191 0.000 2.012 749 L HA -0.168 4.056 4.340 -0.192 0.000 0.210 749 L C 2.436 179.237 176.870 -0.116 0.000 1.073 749 L CA 1.291 56.054 54.840 -0.129 0.000 0.748 749 L CB -0.641 41.340 42.059 -0.130 0.000 0.891 749 L HN 0.187 nan 8.230 nan 0.000 0.431 750 V N -1.192 118.594 119.914 -0.214 0.000 2.453 750 V HA -0.204 3.800 4.120 -0.192 0.000 0.247 750 V C 2.270 178.324 176.094 -0.066 0.000 1.048 750 V CA 1.297 63.493 62.300 -0.174 0.000 1.049 750 V CB 0.217 31.860 31.823 -0.301 0.000 0.672 750 V HN 0.248 nan 8.190 nan 0.000 0.457 751 V N -1.021 118.858 119.914 -0.058 0.000 2.427 751 V HA -0.254 3.750 4.120 -0.192 0.000 0.248 751 V C 2.413 178.545 176.094 0.063 0.000 1.051 751 V CA 2.394 64.694 62.300 -0.000 0.000 1.048 751 V CB -0.172 31.643 31.823 -0.013 0.000 0.666 751 V HN 0.711 nan 8.190 nan 0.000 0.456 752 C N 0.042 119.384 119.300 0.070 0.000 2.432 752 C HA -0.127 4.217 4.460 -0.192 0.000 0.277 752 C C 2.505 177.614 174.990 0.197 0.000 1.249 752 C CA 1.525 60.665 59.018 0.204 0.000 1.725 752 C CB -1.038 26.816 27.740 0.191 0.000 2.028 752 C HN 0.790 nan 8.230 nan 0.000 0.477 753 D N 0.334 120.798 120.400 0.106 0.000 2.123 753 D HA -0.153 4.372 4.640 -0.192 0.000 0.196 753 D C 2.152 178.482 176.300 0.050 0.000 0.992 753 D CA 1.459 55.497 54.000 0.064 0.000 0.833 753 D CB -0.108 40.711 40.800 0.031 0.000 0.954 753 D HN 0.378 nan 8.370 nan 0.000 0.455 754 K N -0.548 119.893 120.400 0.069 0.000 2.097 754 K HA 0.018 4.222 4.320 -0.192 0.000 0.205 754 K C 2.188 178.884 176.600 0.161 0.000 1.050 754 K CA 0.672 57.023 56.287 0.107 0.000 0.938 754 K CB -0.016 32.542 32.500 0.097 0.000 0.718 754 K HN 0.225 nan 8.250 nan 0.000 0.442 755 I N 0.802 121.457 120.570 0.141 0.000 2.226 755 I HA -0.280 3.774 4.170 -0.192 0.000 0.245 755 I C 1.821 177.960 176.117 0.038 0.000 1.100 755 I CA 1.218 62.600 61.300 0.137 0.000 1.374 755 I CB -0.094 38.045 38.000 0.231 0.000 1.057 755 I HN 0.114 nan 8.210 nan 0.000 0.413 756 L N -0.019 121.188 121.223 -0.027 0.000 2.291 756 L HA -0.149 4.076 4.340 -0.192 0.000 0.214 756 L C 2.418 179.198 176.870 -0.151 0.000 1.120 756 L CA 0.891 55.628 54.840 -0.171 0.000 0.799 756 L CB -0.525 41.395 42.059 -0.232 0.000 0.925 756 L HN 0.297 nan 8.230 nan 0.000 0.446 757 E N -0.378 119.754 120.200 -0.114 0.000 2.150 757 E HA -0.200 4.034 4.350 -0.192 0.000 0.193 757 E C 1.769 178.145 176.600 -0.372 0.000 0.985 757 E CA 0.989 57.243 56.400 -0.242 0.000 0.814 757 E CB 0.212 29.745 29.700 -0.279 0.000 0.752 757 E HN 0.606 nan 8.360 nan 0.000 0.466 758 H N -2.379 116.653 119.070 -0.063 0.000 2.729 758 H HA 0.202 4.642 4.556 -0.192 0.000 0.263 758 H C 0.213 175.492 175.328 -0.081 0.000 0.961 758 H CA 0.185 56.199 56.048 -0.057 0.000 1.217 758 H CB 0.753 30.497 29.762 -0.030 0.000 1.447 758 H HN 0.117 nan 8.280 nan 0.000 0.496 759 C N 3.957 123.248 119.300 -0.015 0.000 3.169 759 C HA 0.197 4.541 4.460 -0.192 0.000 0.232 759 C C -1.132 173.734 174.990 -0.207 0.000 1.316 759 C CA -1.247 57.710 59.018 -0.102 0.000 1.545 759 C CB 0.859 28.540 27.740 -0.098 0.000 1.785 759 C HN 0.286 nan 8.230 nan 0.000 0.454 760 P HA -0.189 nan 4.420 nan 0.000 0.217 760 P C 1.614 178.746 177.300 -0.280 0.000 1.148 760 P CA 2.068 65.026 63.100 -0.237 0.000 0.828 760 P CB -0.151 31.443 31.700 -0.177 0.000 0.783 761 T N -3.127 111.284 114.554 -0.238 0.000 3.035 761 T HA -0.029 4.206 4.350 -0.192 0.000 0.268 761 T C 1.883 176.399 174.700 -0.307 0.000 1.109 761 T CA 0.508 62.474 62.100 -0.223 0.000 1.119 761 T CB -0.612 68.163 68.868 -0.155 0.000 0.900 761 T HN 0.108 nan 8.240 nan 0.000 0.503 762 R N 0.854 121.076 120.500 -0.464 0.000 2.193 762 R HA 0.178 4.403 4.340 -0.192 0.000 0.229 762 R C 2.818 178.587 176.300 -0.885 0.000 1.110 762 R CA 0.982 56.609 56.100 -0.788 0.000 0.988 762 R CB -0.543 29.053 30.300 -1.173 0.000 0.871 762 R HN 0.551 nan 8.270 nan 0.000 0.458 763 A N 1.253 123.665 122.820 -0.681 0.000 2.019 763 A HA -0.180 4.024 4.320 -0.192 0.000 0.219 763 A C 1.063 178.537 177.584 -0.182 0.000 1.164 763 A CA 1.818 53.503 52.037 -0.585 0.000 0.644 763 A CB -0.151 18.401 19.000 -0.745 0.000 0.805 763 A HN 0.249 nan 8.150 nan 0.000 0.449 764 D N -0.947 119.357 120.400 -0.160 0.000 2.327 764 D HA 0.134 4.659 4.640 -0.192 0.000 0.205 764 D C 1.566 177.877 176.300 0.019 0.000 0.989 764 D CA 0.415 54.395 54.000 -0.033 0.000 0.873 764 D CB 0.040 40.802 40.800 -0.063 0.000 0.955 764 D HN 0.498 nan 8.370 nan 0.000 0.515 765 I N -0.413 120.140 120.570 -0.029 0.000 2.494 765 I HA 0.008 4.062 4.170 -0.192 0.000 0.250 765 I C 0.568 176.810 176.117 0.209 0.000 1.112 765 I CA 0.085 61.410 61.300 0.041 0.000 1.438 765 I CB 0.049 38.034 38.000 -0.025 0.000 1.111 765 I HN -0.020 nan 8.210 nan 0.000 0.431 766 W N 2.075 123.425 121.300 0.085 0.000 2.160 766 W HA 0.120 4.664 4.660 -0.192 0.000 0.352 766 W C 0.207 176.792 176.519 0.111 0.000 1.288 766 W CA -0.197 57.214 57.345 0.110 0.000 1.279 766 W CB -0.361 29.206 29.460 0.178 0.000 1.181 766 W HN -0.123 nan 8.180 nan 0.000 0.593 767 T N 3.409 118.128 114.554 0.276 0.000 2.906 767 T HA 0.511 4.745 4.350 -0.192 0.000 0.302 767 T C -0.278 174.448 174.700 0.043 0.000 1.002 767 T CA -0.576 61.605 62.100 0.135 0.000 0.988 767 T CB 0.502 69.417 68.868 0.078 0.000 0.972 767 T HN 0.283 nan 8.240 nan 0.000 0.447 768 I N -0.720 119.845 120.570 -0.010 0.000 2.910 768 I HA 0.712 4.767 4.170 -0.192 0.000 0.310 768 I C -0.660 175.386 176.117 -0.118 0.000 1.043 768 I CA -1.040 60.190 61.300 -0.117 0.000 1.053 768 I CB 1.685 39.511 38.000 -0.290 0.000 1.242 768 I HN 0.251 nan 8.210 nan 0.000 0.452 769 D N 2.905 123.231 120.400 -0.124 0.000 2.453 769 D HA 0.182 4.706 4.640 -0.192 0.000 0.223 769 D C 0.909 177.132 176.300 -0.128 0.000 1.183 769 D CA 0.086 54.027 54.000 -0.099 0.000 0.933 769 D CB 0.706 41.460 40.800 -0.077 0.000 1.038 769 D HN 0.578 nan 8.370 nan 0.000 0.513 770 R N 2.665 123.089 120.500 -0.127 0.000 2.073 770 R HA -0.015 4.209 4.340 -0.192 0.000 0.234 770 R C -1.148 175.099 176.300 -0.089 0.000 1.134 770 R CA 0.607 56.624 56.100 -0.139 0.000 0.952 770 R CB -0.797 29.439 30.300 -0.106 0.000 0.850 770 R HN 0.413 nan 8.270 nan 0.000 0.433 774 E N 0.504 120.684 120.200 -0.033 0.000 2.106 774 E HA 0.050 4.285 4.350 -0.192 0.000 0.192 774 E C 1.860 178.464 176.600 0.007 0.000 0.984 774 E CA 1.777 58.172 56.400 -0.009 0.000 0.806 774 E CB -1.441 28.252 29.700 -0.011 0.000 0.750 774 E HN 0.670 nan 8.360 nan 0.000 0.458 775 G N 0.713 109.516 108.800 0.006 0.000 2.446 775 G HA2 -0.205 3.640 3.960 -0.192 0.000 0.217 775 G HA3 -0.205 3.640 3.960 -0.192 0.000 0.217 775 G C 1.767 176.698 174.900 0.051 0.000 1.168 775 G CA 1.044 46.159 45.100 0.025 0.000 0.771 775 G HN 0.475 nan 8.290 nan 0.000 0.551 776 L N 0.950 122.198 121.223 0.042 0.000 2.450 776 L HA -0.060 4.165 4.340 -0.192 0.000 0.224 776 L C 2.933 179.846 176.870 0.072 0.000 1.149 776 L CA 0.968 55.842 54.840 0.058 0.000 0.816 776 L CB -0.539 41.512 42.059 -0.013 0.000 0.932 776 L HN 0.181 nan 8.230 nan 0.000 0.449 777 T N -0.474 114.112 114.554 0.053 0.000 2.833 777 T HA -0.094 4.140 4.350 -0.192 0.000 0.269 777 T C 1.302 176.042 174.700 0.067 0.000 1.054 777 T CA 1.126 63.258 62.100 0.053 0.000 1.135 777 T CB -0.145 68.746 68.868 0.037 0.000 0.869 777 T HN 0.357 nan 8.240 nan 0.000 0.466 778 N N 0.817 119.560 118.700 0.070 0.000 2.279 778 N HA 0.026 4.650 4.740 -0.192 0.000 0.226 778 N C -0.008 175.543 175.510 0.068 0.000 1.126 778 N CA -0.070 53.014 53.050 0.056 0.000 0.846 778 N CB -0.089 38.417 38.487 0.031 0.000 1.050 778 N HN 0.511 nan 8.380 nan 0.000 0.502 779 H N 1.810 120.888 119.070 0.012 0.000 2.707 779 H HA 0.107 4.547 4.556 -0.193 0.000 0.359 779 H C 1.093 176.428 175.328 0.013 0.000 1.113 779 H CA 0.287 56.343 56.048 0.013 0.000 1.422 779 H CB 1.297 31.070 29.762 0.018 0.000 1.443 779 H HN 0.080 nan 8.280 nan 0.000 0.591 780 R N 2.257 122.472 120.500 -0.475 0.000 2.143 780 R HA -0.193 4.032 4.340 -0.192 0.000 0.239 780 R C 1.060 177.358 176.300 -0.004 0.000 1.126 780 R CA 1.189 57.147 56.100 -0.237 0.000 0.927 780 R CB -0.569 29.543 30.300 -0.313 0.000 0.860 780 R HN 0.563 nan 8.270 nan 0.000 0.433 781 N N 0.902 119.721 118.700 0.199 0.000 2.407 781 N HA -0.087 4.537 4.740 -0.192 0.000 0.250 781 N C 0.715 176.316 175.510 0.151 0.000 1.236 781 N CA 0.413 53.592 53.050 0.215 0.000 0.879 781 N CB 1.465 40.113 38.487 0.269 0.000 1.088 781 N HN 0.070 nan 8.380 nan 0.000 0.450 782 S N 2.425 118.167 115.700 0.071 0.000 2.336 782 S HA -0.185 4.170 4.470 -0.192 0.000 0.214 782 S C 0.779 175.409 174.600 0.049 0.000 1.032 782 S CA 1.856 60.085 58.200 0.048 0.000 1.001 782 S CB -0.297 62.916 63.200 0.022 0.000 0.953 782 S HN 0.804 nan 8.310 nan 0.000 0.430 783 D N 0.443 120.854 120.400 0.019 0.000 2.349 783 D HA 0.135 4.659 4.640 -0.192 0.000 0.224 783 D C 1.545 177.920 176.300 0.125 0.000 1.029 783 D CA 0.145 54.170 54.000 0.043 0.000 0.879 783 D CB -0.325 40.475 40.800 -0.001 0.000 0.906 783 D HN 0.440 nan 8.370 nan 0.000 0.528 784 I N 0.832 121.456 120.570 0.090 0.000 2.315 784 I HA -0.198 3.857 4.170 -0.192 0.000 0.248 784 I C 2.406 178.558 176.117 0.058 0.000 1.117 784 I CA 0.986 62.334 61.300 0.080 0.000 1.404 784 I CB -0.085 37.855 38.000 -0.099 0.000 1.071 784 I HN 0.113 nan 8.210 nan 0.000 0.419 785 A N 1.049 123.918 122.820 0.082 0.000 1.898 785 A HA -0.218 3.986 4.320 -0.192 0.000 0.216 785 A C 2.598 180.220 177.584 0.063 0.000 1.181 785 A CA 2.229 54.313 52.037 0.079 0.000 0.620 785 A CB -0.833 18.220 19.000 0.088 0.000 0.819 785 A HN 0.351 nan 8.150 nan 0.000 0.442 786 K N -0.343 120.098 120.400 0.068 0.000 2.002 786 K HA 0.104 4.309 4.320 -0.192 0.000 0.209 786 K C 2.449 179.084 176.600 0.059 0.000 1.048 786 K CA 2.103 58.427 56.287 0.062 0.000 0.930 786 K CB -1.561 30.979 32.500 0.066 0.000 0.714 786 K HN 0.949 nan 8.250 nan 0.000 0.438 787 A N 1.094 123.957 122.820 0.072 0.000 1.908 787 A HA 0.181 4.385 4.320 -0.192 0.000 0.218 787 A C 2.787 180.387 177.584 0.028 0.000 1.181 787 A CA 2.415 54.475 52.037 0.039 0.000 0.627 787 A CB -0.982 18.022 19.000 0.007 0.000 0.818 787 A HN 0.973 nan 8.150 nan 0.000 0.445 788 A N 1.718 124.555 122.820 0.028 0.000 1.834 788 A HA -0.274 3.930 4.320 -0.192 0.000 0.216 788 A C 1.886 179.496 177.584 0.043 0.000 1.203 788 A CA 1.932 53.983 52.037 0.024 0.000 0.621 788 A CB -1.124 17.884 19.000 0.015 0.000 0.841 788 A HN 0.867 nan 8.150 nan 0.000 0.446 789 N N -0.587 118.139 118.700 0.044 0.000 2.381 789 N HA -0.124 4.500 4.740 -0.192 0.000 0.182 789 N C 1.803 177.346 175.510 0.054 0.000 1.025 789 N CA 1.336 54.415 53.050 0.048 0.000 0.888 789 N CB -0.238 38.274 38.487 0.041 0.000 0.965 789 N HN 0.445 nan 8.380 nan 0.000 0.438 790 S N 1.074 116.804 115.700 0.050 0.000 2.368 790 S HA -0.072 4.283 4.470 -0.192 0.000 0.224 790 S C 1.834 176.471 174.600 0.062 0.000 1.029 790 S CA 0.392 58.619 58.200 0.045 0.000 0.988 790 S CB -0.267 62.954 63.200 0.035 0.000 0.838 790 S HN 0.351 nan 8.310 nan 0.000 0.462 791 L N 1.147 122.422 121.223 0.086 0.000 2.109 791 L HA 0.213 4.438 4.340 -0.192 0.000 0.207 791 L C 2.045 179.069 176.870 0.258 0.000 1.086 791 L CA 1.388 56.319 54.840 0.151 0.000 0.760 791 L CB -0.846 41.311 42.059 0.164 0.000 0.910 791 L HN 0.380 nan 8.230 nan 0.000 0.437 792 L N -0.404 120.940 121.223 0.202 0.000 2.042 792 L HA -0.203 4.021 4.340 -0.192 0.000 0.210 792 L C 2.527 179.525 176.870 0.213 0.000 1.076 792 L CA 2.070 57.044 54.840 0.223 0.000 0.749 792 L CB -0.974 41.146 42.059 0.101 0.000 0.893 792 L HN 0.354 nan 8.230 nan 0.000 0.432 793 S N -0.376 115.396 115.700 0.120 0.000 2.413 793 S HA -0.258 4.097 4.470 -0.192 0.000 0.237 793 S C 1.847 176.474 174.600 0.045 0.000 1.044 793 S CA 1.619 59.861 58.200 0.070 0.000 1.024 793 S CB -0.479 62.742 63.200 0.035 0.000 0.829 793 S HN 0.519 nan 8.310 nan 0.000 0.475 794 R N -0.623 119.896 120.500 0.031 0.000 2.297 794 R HA 0.199 4.424 4.340 -0.192 0.000 0.197 794 R C -0.490 175.650 176.300 -0.266 0.000 0.943 794 R CA 0.082 56.101 56.100 -0.136 0.000 1.038 794 R CB 0.023 30.190 30.300 -0.221 0.000 0.957 794 R HN 0.298 nan 8.270 nan 0.000 0.484 795 F N 2.412 122.367 119.950 0.008 0.000 2.394 795 F HA 0.265 4.676 4.527 -0.193 0.000 0.340 795 F C -1.327 174.475 175.800 0.004 0.000 1.105 795 F CA -2.769 55.239 58.000 0.014 0.000 1.124 795 F CB 0.422 39.444 39.000 0.036 0.000 1.145 795 F HN -0.120 nan 8.300 nan 0.000 0.505 796 P HA 0.088 nan 4.420 nan 0.000 0.269 796 P C -0.475 176.881 177.300 0.094 0.000 1.211 796 P CA -0.195 62.958 63.100 0.088 0.000 0.781 796 P CB 0.105 31.851 31.700 0.076 0.000 0.877 797 E N 1.649 121.882 120.200 0.055 0.000 2.608 797 E HA -0.114 4.120 4.350 -0.192 0.000 0.259 797 E C 0.681 177.308 176.600 0.046 0.000 0.951 797 E CA 0.023 56.449 56.400 0.044 0.000 0.945 797 E CB -0.532 29.185 29.700 0.027 0.000 0.916 797 E HN 0.594 nan 8.360 nan 0.000 0.477 798 N N 0.000 118.724 118.700 0.040 0.000 1.763 798 N HA 0.000 4.625 4.740 -0.192 0.000 0.220 798 N CA 0.000 53.068 53.050 0.030 0.000 0.885 798 N CB 0.000 38.499 38.487 0.020 0.000 1.341 798 N HN 0.000 nan 8.380 nan 0.000 0.667