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 1p4e_1_B DATA FIRST_RESID 2 DATA SEQUENCE SQFDILCKTP PKVLVRQFVE RFERPSGEKI ASCAAELTYL CWMITHNGTA DATA SEQUENCE IKRATFMSYN TIISNSLSFD IVNKSLQFKY KTQKATILEA SLKKLIPAWE DATA SEQUENCE FTIIPYNGQK XXSDITDIVS SLQLQFESXX XXXXGNSHSK KMLKALLSEG DATA SEQUENCE ESIWEITEKI LNSFEYTSRF TKTKTLYQFL FLATFINCGR FSDIKNVDPK DATA SEQUENCE SFKLVQNKYL GVIIQCLVTE TKTSVSRHIY FFSARGRIDP LVYLDEFLRN DATA SEQUENCE SEPVLKRVNR TGNSSSNKQE YQLLKDNLVR SYNKALKKNA PYPIFAIKNG DATA SEQUENCE PKSHIGRHLM TSFLSMKGLT ELTNVVGNFS DXXXXXXXXT TYTHQITAIP DATA SEQUENCE DHYFALVSRY YAYDPISKEM IALKDETNPI EEWQHIEQLK GSAEGSIRYP DATA SEQUENCE AWNGIISQEV LDYLSSYINR RIGHHHHHH 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.634 174.600 0.057 0.000 1.055 2 S CA 0.000 58.239 58.200 0.064 0.000 1.107 2 S CB 0.000 63.260 63.200 0.099 0.000 0.593 3 Q N -0.187 119.674 119.800 0.102 0.000 2.020 3 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 3 Q C 1.602 177.615 176.000 0.021 0.000 0.982 3 Q CA 1.972 57.836 55.803 0.102 0.000 0.838 3 Q CB -0.325 28.544 28.738 0.217 0.000 0.899 3 Q HN 0.693 nan 8.270 nan 0.000 0.423 4 F N 2.256 122.139 119.950 -0.112 0.000 2.161 4 F HA -0.246 4.281 4.527 -0.000 0.000 0.300 4 F C 1.590 177.218 175.800 -0.287 0.000 1.089 4 F CA 1.531 59.298 58.000 -0.389 0.000 1.282 4 F CB -0.131 38.705 39.000 -0.273 0.000 1.010 4 F HN 0.058 nan 8.300 nan 0.000 0.485 5 D N 0.498 120.798 120.400 -0.167 0.000 2.117 5 D HA -0.179 4.460 4.640 -0.000 0.000 0.197 5 D C 2.469 178.599 176.300 -0.284 0.000 0.987 5 D CA 1.803 55.661 54.000 -0.237 0.000 0.829 5 D CB -0.396 40.358 40.800 -0.076 0.000 0.961 5 D HN 0.367 nan 8.370 nan 0.000 0.460 6 I N 0.490 120.935 120.570 -0.208 0.000 2.286 6 I HA -0.226 3.943 4.170 -0.000 0.000 0.248 6 I C 2.426 178.380 176.117 -0.272 0.000 1.115 6 I CA 0.347 61.536 61.300 -0.185 0.000 1.392 6 I CB -0.166 37.768 38.000 -0.110 0.000 1.065 6 I HN -0.015 nan 8.210 nan 0.000 0.418 7 L N 0.812 121.802 121.223 -0.388 0.000 1.989 7 L HA -0.243 4.096 4.340 -0.000 0.000 0.211 7 L C 2.582 179.144 176.870 -0.514 0.000 1.071 7 L CA 2.002 56.549 54.840 -0.489 0.000 0.749 7 L CB -0.577 41.067 42.059 -0.693 0.000 0.890 7 L HN 0.292 nan 8.230 nan 0.000 0.431 8 C N -0.182 118.745 119.300 -0.622 0.000 2.410 8 C HA -0.100 4.360 4.460 -0.000 0.000 0.281 8 C C 2.579 177.386 174.990 -0.304 0.000 1.318 8 C CA 0.489 59.214 59.018 -0.488 0.000 1.776 8 C CB -1.113 26.293 27.740 -0.557 0.000 1.942 8 C HN 0.463 nan 8.230 nan 0.000 0.508 9 K N 0.248 120.487 120.400 -0.269 0.000 2.243 9 K HA 0.022 4.342 4.320 -0.000 0.000 0.201 9 K C 0.754 177.256 176.600 -0.164 0.000 1.051 9 K CA 0.587 56.765 56.287 -0.182 0.000 0.970 9 K CB -0.548 31.862 32.500 -0.149 0.000 0.755 9 K HN 0.413 nan 8.250 nan 0.000 0.465 10 T N 4.384 118.817 114.554 -0.200 0.000 2.814 10 T HA 0.197 4.547 4.350 -0.000 0.000 0.297 10 T C -2.516 172.078 174.700 -0.177 0.000 0.956 10 T CA -1.259 60.734 62.100 -0.178 0.000 1.123 10 T CB 1.226 69.972 68.868 -0.203 0.000 0.902 10 T HN -0.075 nan 8.240 nan 0.000 0.528 11 P HA 0.174 nan 4.420 nan 0.000 0.271 11 P C -1.881 175.365 177.300 -0.089 0.000 1.216 11 P CA -1.420 61.628 63.100 -0.087 0.000 0.771 11 P CB 0.360 32.027 31.700 -0.056 0.000 0.864 12 P HA -0.298 nan 4.420 nan 0.000 0.216 12 P C 1.417 178.723 177.300 0.009 0.000 1.167 12 P CA 2.192 65.290 63.100 -0.002 0.000 0.914 12 P CB -0.222 31.528 31.700 0.084 0.000 0.793 13 K N -0.555 119.853 120.400 0.014 0.000 2.160 13 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 13 K C 1.720 178.326 176.600 0.010 0.000 1.047 13 K CA 1.831 58.129 56.287 0.019 0.000 0.930 13 K CB -1.327 31.181 32.500 0.013 0.000 0.720 13 K HN 0.020 nan 8.250 nan 0.000 0.450 14 V N 1.971 121.876 119.914 -0.015 0.000 2.358 14 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 14 V C 2.456 178.540 176.094 -0.017 0.000 1.047 14 V CA 1.423 63.711 62.300 -0.019 0.000 1.035 14 V CB -0.487 31.311 31.823 -0.042 0.000 0.658 14 V HN 0.286 nan 8.190 nan 0.000 0.452 15 L N -0.180 121.010 121.223 -0.055 0.000 1.970 15 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 15 L C 2.501 179.400 176.870 0.050 0.000 1.071 15 L CA 1.499 56.302 54.840 -0.062 0.000 0.751 15 L CB -0.762 41.166 42.059 -0.218 0.000 0.889 15 L HN 0.200 nan 8.230 nan 0.000 0.432 16 V N -0.356 119.599 119.914 0.068 0.000 2.469 16 V HA -0.300 3.820 4.120 -0.000 0.000 0.251 16 V C 2.592 178.772 176.094 0.144 0.000 1.064 16 V CA 1.848 64.223 62.300 0.125 0.000 1.066 16 V CB -0.761 31.118 31.823 0.093 0.000 0.667 16 V HN 0.399 nan 8.190 nan 0.000 0.461 17 R N 0.429 120.981 120.500 0.087 0.000 2.075 17 R HA -0.164 4.176 4.340 -0.000 0.000 0.230 17 R C 2.472 178.824 176.300 0.087 0.000 1.140 17 R CA 1.873 58.015 56.100 0.070 0.000 0.928 17 R CB -0.505 29.817 30.300 0.037 0.000 0.834 17 R HN 0.580 nan 8.270 nan 0.000 0.429 18 Q N -0.834 119.014 119.800 0.079 0.000 2.217 18 Q HA -0.241 4.099 4.340 -0.000 0.000 0.209 18 Q C 1.957 178.044 176.000 0.145 0.000 0.988 18 Q CA 1.816 57.667 55.803 0.081 0.000 0.878 18 Q CB -0.333 28.441 28.738 0.058 0.000 0.909 18 Q HN 0.333 nan 8.270 nan 0.000 0.424 19 F N 0.650 120.624 119.950 0.040 0.000 2.113 19 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 19 F C 2.043 177.934 175.800 0.153 0.000 1.103 19 F CA 0.927 58.981 58.000 0.089 0.000 1.248 19 F CB -0.325 38.707 39.000 0.053 0.000 0.999 19 F HN -0.213 nan 8.300 nan 0.000 0.475 20 V N 0.700 120.656 119.914 0.070 0.000 2.287 20 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 20 V C 2.279 178.383 176.094 0.018 0.000 1.053 20 V CA 2.311 64.593 62.300 -0.031 0.000 1.027 20 V CB -0.801 31.042 31.823 0.033 0.000 0.646 20 V HN 0.346 nan 8.190 nan 0.000 0.447 21 E N -0.072 120.143 120.200 0.024 0.000 2.114 21 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 21 E C 2.401 178.977 176.600 -0.039 0.000 1.008 21 E CA 1.474 57.877 56.400 0.005 0.000 0.810 21 E CB -0.258 29.444 29.700 0.003 0.000 0.739 21 E HN 0.557 nan 8.360 nan 0.000 0.456 22 R N -0.308 120.137 120.500 -0.092 0.000 2.170 22 R HA -0.148 4.192 4.340 -0.000 0.000 0.242 22 R C 1.405 177.397 176.300 -0.514 0.000 1.145 22 R CA 1.081 56.997 56.100 -0.307 0.000 0.984 22 R CB -0.175 29.858 30.300 -0.445 0.000 0.869 22 R HN 0.183 nan 8.270 nan 0.000 0.455 23 F N 0.036 119.767 119.950 -0.366 0.000 2.695 23 F HA 0.170 4.697 4.527 -0.000 0.000 0.303 23 F C 1.641 177.403 175.800 -0.063 0.000 1.091 23 F CA -0.026 57.774 58.000 -0.332 0.000 1.300 23 F CB 0.228 38.878 39.000 -0.584 0.000 1.071 23 F HN -0.045 nan 8.300 nan 0.000 0.578 24 E N 0.443 120.690 120.200 0.078 0.000 2.102 24 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 24 E C 1.310 177.949 176.600 0.064 0.000 0.971 24 E CA 0.345 56.796 56.400 0.086 0.000 0.821 24 E CB 0.160 29.891 29.700 0.052 0.000 0.777 24 E HN 0.126 nan 8.360 nan 0.000 0.460 25 R N 1.761 122.270 120.500 0.015 0.000 3.301 25 R HA 0.189 4.528 4.340 -0.000 0.000 0.286 25 R C -2.585 173.702 176.300 -0.021 0.000 1.386 25 R CA -2.037 54.067 56.100 0.007 0.000 1.607 25 R CB 0.364 30.660 30.300 -0.006 0.000 1.305 25 R HN -0.164 nan 8.270 nan 0.000 0.637 26 P HA -0.158 nan 4.420 nan 0.000 0.235 26 P C -0.955 176.327 177.300 -0.029 0.000 1.068 26 P CA 0.939 64.040 63.100 0.002 0.000 0.934 26 P CB 0.239 32.050 31.700 0.185 0.000 0.863 27 S N 2.288 117.918 115.700 -0.117 0.000 2.513 27 S HA 0.575 5.045 4.470 -0.000 0.000 0.299 27 S C 1.687 176.246 174.600 -0.068 0.000 1.087 27 S CA -0.195 57.969 58.200 -0.060 0.000 1.012 27 S CB 1.280 64.445 63.200 -0.058 0.000 1.044 27 S HN 0.344 nan 8.310 nan 0.000 0.485 28 G N 2.377 111.215 108.800 0.063 0.000 2.418 28 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 28 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 28 G C 0.990 175.953 174.900 0.106 0.000 1.158 28 G CA 0.762 45.979 45.100 0.194 0.000 0.771 28 G HN 0.848 nan 8.290 nan 0.000 0.545 29 E N 0.258 120.482 120.200 0.039 0.000 2.204 29 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 29 E C 2.402 178.986 176.600 -0.027 0.000 0.990 29 E CA 0.864 57.275 56.400 0.018 0.000 0.821 29 E CB -0.017 29.688 29.700 0.008 0.000 0.750 29 E HN 0.438 nan 8.360 nan 0.000 0.477 30 K N 0.120 120.462 120.400 -0.096 0.000 2.141 30 K HA 0.042 4.362 4.320 -0.000 0.000 0.202 30 K C 2.085 178.521 176.600 -0.273 0.000 1.045 30 K CA 0.342 56.531 56.287 -0.163 0.000 0.971 30 K CB 0.190 32.572 32.500 -0.197 0.000 0.795 30 K HN 0.021 nan 8.250 nan 0.000 0.459 31 I N 1.686 121.977 120.570 -0.466 0.000 2.361 31 I HA -0.164 4.006 4.170 -0.000 0.000 0.251 31 I C 2.289 178.205 176.117 -0.335 0.000 1.133 31 I CA 1.124 61.977 61.300 -0.746 0.000 1.413 31 I CB -1.200 35.919 38.000 -1.469 0.000 1.073 31 I HN 0.064 nan 8.210 nan 0.000 0.424 32 A N -0.251 122.544 122.820 -0.041 0.000 2.209 32 A HA -0.023 4.297 4.320 -0.000 0.000 0.212 32 A C 2.099 179.738 177.584 0.092 0.000 1.158 32 A CA 0.967 53.117 52.037 0.188 0.000 0.742 32 A CB -0.376 18.773 19.000 0.248 0.000 0.790 32 A HN 0.369 nan 8.150 nan 0.000 0.472 33 S N -1.038 114.677 115.700 0.025 0.000 2.575 33 S HA 0.032 4.502 4.470 -0.000 0.000 0.237 33 S C 1.287 175.925 174.600 0.063 0.000 0.975 33 S CA 0.280 58.506 58.200 0.042 0.000 0.960 33 S CB -0.370 62.845 63.200 0.025 0.000 0.822 33 S HN 0.892 nan 8.310 nan 0.000 0.472 34 C N 0.347 119.694 119.300 0.077 0.000 2.626 34 C HA 0.536 4.996 4.460 -0.000 0.000 0.266 34 C C 2.468 177.546 174.990 0.146 0.000 1.317 34 C CA -0.224 58.908 59.018 0.189 0.000 1.716 34 C CB -1.617 26.313 27.740 0.317 0.000 1.819 34 C HN 0.504 nan 8.230 nan 0.000 0.578 35 A N 2.271 125.138 122.820 0.079 0.000 1.869 35 A HA 0.001 4.320 4.320 -0.000 0.000 0.218 35 A C 2.642 180.250 177.584 0.041 0.000 1.203 35 A CA 2.970 55.019 52.037 0.020 0.000 0.638 35 A CB -1.439 17.578 19.000 0.028 0.000 0.831 35 A HN 1.047 nan 8.150 nan 0.000 0.450 36 A N -0.645 122.249 122.820 0.124 0.000 1.851 36 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 36 A C 1.935 179.677 177.584 0.263 0.000 1.195 36 A CA 1.967 54.169 52.037 0.276 0.000 0.622 36 A CB -0.763 18.431 19.000 0.324 0.000 0.831 36 A HN 0.644 nan 8.150 nan 0.000 0.444 37 E N -0.884 119.404 120.200 0.147 0.000 2.058 37 E HA -0.215 4.134 4.350 -0.000 0.000 0.194 37 E C 1.935 178.500 176.600 -0.059 0.000 0.997 37 E CA 1.326 57.764 56.400 0.064 0.000 0.801 37 E CB -0.276 29.482 29.700 0.096 0.000 0.746 37 E HN 0.447 nan 8.360 nan 0.000 0.450 38 L N 0.881 122.019 121.223 -0.141 0.000 2.083 38 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 38 L C 2.121 178.912 176.870 -0.131 0.000 1.083 38 L CA 1.909 56.567 54.840 -0.304 0.000 0.752 38 L CB -0.795 41.077 42.059 -0.311 0.000 0.899 38 L HN 0.098 nan 8.230 nan 0.000 0.433 39 T N -1.506 113.064 114.554 0.027 0.000 2.622 39 T HA -0.279 4.071 4.350 -0.000 0.000 0.266 39 T C 1.655 176.551 174.700 0.327 0.000 1.047 39 T CA 1.933 64.147 62.100 0.189 0.000 1.159 39 T CB -0.665 68.240 68.868 0.061 0.000 0.863 39 T HN 0.474 nan 8.240 nan 0.000 0.422 40 Y N 1.907 122.350 120.300 0.239 0.000 2.081 40 Y HA -0.201 4.348 4.550 -0.000 0.000 0.280 40 Y C 2.077 178.071 175.900 0.156 0.000 1.163 40 Y CA 1.355 59.590 58.100 0.226 0.000 1.135 40 Y CB -0.625 37.912 38.460 0.127 0.000 0.970 40 Y HN 0.132 nan 8.280 nan 0.000 0.498 41 L N -1.278 119.997 121.223 0.087 0.000 1.994 41 L HA -0.311 4.029 4.340 -0.000 0.000 0.208 41 L C 2.670 179.467 176.870 -0.121 0.000 1.071 41 L CA 1.520 56.297 54.840 -0.105 0.000 0.745 41 L CB -1.065 40.841 42.059 -0.256 0.000 0.892 41 L HN 0.343 nan 8.230 nan 0.000 0.431 42 C N -1.053 118.170 119.300 -0.128 0.000 2.411 42 C HA -0.221 4.239 4.460 -0.000 0.000 0.279 42 C C 2.592 177.559 174.990 -0.039 0.000 1.288 42 C CA 0.382 59.248 59.018 -0.253 0.000 1.764 42 C CB -1.065 26.254 27.740 -0.701 0.000 1.974 42 C HN 0.735 nan 8.230 nan 0.000 0.498 43 W N 0.856 122.164 121.300 0.014 0.000 2.413 43 W HA -0.099 4.561 4.660 -0.000 0.000 0.315 43 W C 2.134 178.682 176.519 0.048 0.000 1.186 43 W CA 1.151 58.588 57.345 0.153 0.000 1.326 43 W CB -0.653 28.852 29.460 0.075 0.000 1.153 43 W HN 0.172 nan 8.180 nan 0.000 0.489 44 M N 0.831 120.434 119.600 0.005 0.000 2.143 44 M HA -0.255 4.225 4.480 -0.000 0.000 0.258 44 M C 2.015 178.235 176.300 -0.134 0.000 1.071 44 M CA 1.517 56.733 55.300 -0.139 0.000 1.088 44 M CB -1.703 30.712 32.600 -0.309 0.000 1.360 44 M HN 0.101 nan 8.290 nan 0.000 0.404 45 I N -0.129 120.367 120.570 -0.123 0.000 2.110 45 I HA -0.280 3.890 4.170 -0.000 0.000 0.236 45 I C 2.323 178.355 176.117 -0.141 0.000 1.068 45 I CA 1.946 63.172 61.300 -0.122 0.000 1.333 45 I CB -0.849 37.073 38.000 -0.130 0.000 1.054 45 I HN 0.357 nan 8.210 nan 0.000 0.402 46 T N -2.519 111.951 114.554 -0.140 0.000 3.025 46 T HA -0.183 4.167 4.350 -0.000 0.000 0.270 46 T C 1.044 175.451 174.700 -0.488 0.000 1.126 46 T CA 1.376 63.339 62.100 -0.228 0.000 1.105 46 T CB -0.482 68.309 68.868 -0.130 0.000 0.884 46 T HN 0.425 nan 8.240 nan 0.000 0.522 47 H N -0.033 118.784 119.070 -0.422 0.000 2.785 47 H HA 0.388 4.943 4.556 -0.000 0.000 0.268 47 H C 0.480 175.657 175.328 -0.253 0.000 1.153 47 H CA -0.675 55.111 56.048 -0.437 0.000 1.111 47 H CB 0.029 29.306 29.762 -0.809 0.000 1.633 47 H HN 0.307 nan 8.280 nan 0.000 0.576 48 N N 1.010 119.638 118.700 -0.119 0.000 2.714 48 N HA -0.213 4.527 4.740 -0.000 0.000 0.253 48 N C 1.217 176.703 175.510 -0.039 0.000 1.024 48 N CA 1.235 54.240 53.050 -0.075 0.000 0.726 48 N CB -1.131 37.315 38.487 -0.069 0.000 0.908 48 N HN 0.772 nan 8.380 nan 0.000 0.542 49 G N -1.849 106.927 108.800 -0.040 0.000 2.234 49 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 49 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 49 G C 0.500 175.433 174.900 0.054 0.000 0.987 49 G CA 0.508 45.607 45.100 -0.002 0.000 0.625 49 G HN 0.720 nan 8.290 nan 0.000 0.532 50 T N 1.905 116.502 114.554 0.072 0.000 2.939 50 T HA 0.448 4.798 4.350 -0.000 0.000 0.319 50 T C 1.123 176.001 174.700 0.298 0.000 1.082 50 T CA 0.626 62.817 62.100 0.152 0.000 1.133 50 T CB 0.989 69.951 68.868 0.156 0.000 1.019 50 T HN 1.428 nan 8.240 nan 0.000 0.548 51 A N 2.924 125.887 122.820 0.239 0.000 2.386 51 A HA 0.569 4.889 4.320 -0.000 0.000 0.246 51 A C 0.107 177.810 177.584 0.198 0.000 1.089 51 A CA -0.476 51.682 52.037 0.201 0.000 0.790 51 A CB 0.125 19.188 19.000 0.105 0.000 1.042 51 A HN 0.877 nan 8.150 nan 0.000 0.497 52 I N 0.010 120.517 120.570 -0.105 0.000 2.474 52 I HA 0.362 4.532 4.170 -0.000 0.000 0.294 52 I C -0.294 175.649 176.117 -0.290 0.000 1.005 52 I CA -0.728 60.196 61.300 -0.626 0.000 1.113 52 I CB 1.490 38.837 38.000 -1.088 0.000 1.289 52 I HN 0.688 nan 8.210 nan 0.000 0.436 53 K N 5.915 126.073 120.400 -0.403 0.000 2.218 53 K HA 0.220 4.540 4.320 -0.000 0.000 0.276 53 K C 0.938 177.246 176.600 -0.487 0.000 1.022 53 K CA -0.342 55.771 56.287 -0.290 0.000 0.946 53 K CB 1.171 33.515 32.500 -0.260 0.000 1.000 53 K HN 0.545 nan 8.250 nan 0.000 0.468 54 R N 2.386 122.461 120.500 -0.710 0.000 2.136 54 R HA -0.308 4.032 4.340 -0.000 0.000 0.242 54 R C 1.847 177.727 176.300 -0.700 0.000 1.131 54 R CA 2.370 57.626 56.100 -1.406 0.000 0.937 54 R CB -0.462 29.270 30.300 -0.947 0.000 0.863 54 R HN 0.812 nan 8.270 nan 0.000 0.435 55 A N -0.143 122.427 122.820 -0.417 0.000 1.883 55 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 55 A C 2.297 179.698 177.584 -0.305 0.000 1.186 55 A CA 2.179 54.050 52.037 -0.275 0.000 0.624 55 A CB -1.063 17.824 19.000 -0.188 0.000 0.822 55 A HN 0.567 nan 8.150 nan 0.000 0.444 56 T N -0.863 113.446 114.554 -0.408 0.000 2.746 56 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 56 T C 1.600 175.908 174.700 -0.654 0.000 1.039 56 T CA 1.556 63.292 62.100 -0.606 0.000 1.142 56 T CB -0.411 67.981 68.868 -0.793 0.000 0.866 56 T HN 0.515 nan 8.240 nan 0.000 0.444 57 F N 1.916 121.492 119.950 -0.623 0.000 2.069 57 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 57 F C 2.155 177.835 175.800 -0.200 0.000 1.113 57 F CA 1.316 59.090 58.000 -0.376 0.000 1.214 57 F CB -0.373 38.491 39.000 -0.227 0.000 0.978 57 F HN -0.034 nan 8.300 nan 0.000 0.474 58 M N 0.123 119.639 119.600 -0.140 0.000 2.073 58 M HA -0.248 4.232 4.480 -0.000 0.000 0.258 58 M C 2.626 178.809 176.300 -0.195 0.000 1.070 58 M CA 1.979 57.200 55.300 -0.133 0.000 1.103 58 M CB -1.909 30.655 32.600 -0.060 0.000 1.321 58 M HN 0.393 nan 8.290 nan 0.000 0.405 59 S N -0.399 115.206 115.700 -0.158 0.000 2.353 59 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 59 S C 1.962 176.565 174.600 0.006 0.000 1.035 59 S CA 1.230 59.394 58.200 -0.059 0.000 1.025 59 S CB -0.259 62.935 63.200 -0.009 0.000 0.902 59 S HN 0.375 nan 8.310 nan 0.000 0.440 60 Y N 2.584 122.701 120.300 -0.306 0.000 2.181 60 Y HA -0.020 4.530 4.550 -0.000 0.000 0.288 60 Y C 2.668 178.411 175.900 -0.261 0.000 1.146 60 Y CA 0.747 58.678 58.100 -0.282 0.000 1.164 60 Y CB -1.293 37.037 38.460 -0.217 0.000 0.982 60 Y HN 0.461 nan 8.280 nan 0.000 0.515 61 N N -0.157 118.379 118.700 -0.274 0.000 2.166 61 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 61 N C 1.446 176.872 175.510 -0.140 0.000 1.019 61 N CA 1.914 54.767 53.050 -0.329 0.000 0.856 61 N CB -0.004 38.075 38.487 -0.681 0.000 0.993 61 N HN 0.305 nan 8.380 nan 0.000 0.426 62 T N 1.738 116.224 114.554 -0.113 0.000 2.708 62 T HA -0.018 4.332 4.350 -0.000 0.000 0.266 62 T C 2.096 176.787 174.700 -0.015 0.000 1.037 62 T CA 1.076 63.150 62.100 -0.044 0.000 1.146 62 T CB -0.142 68.707 68.868 -0.032 0.000 0.865 62 T HN 0.220 nan 8.240 nan 0.000 0.435 63 I N 0.598 121.138 120.570 -0.050 0.000 2.208 63 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 63 I C 2.302 178.459 176.117 0.067 0.000 1.097 63 I CA 1.369 62.651 61.300 -0.030 0.000 1.363 63 I CB -0.421 37.430 38.000 -0.249 0.000 1.051 63 I HN 0.233 nan 8.210 nan 0.000 0.413 64 I N -0.120 120.486 120.570 0.060 0.000 2.163 64 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 64 I C 2.704 178.874 176.117 0.087 0.000 1.081 64 I CA 1.261 62.623 61.300 0.105 0.000 1.353 64 I CB -0.322 37.667 38.000 -0.019 0.000 1.054 64 I HN 0.147 nan 8.210 nan 0.000 0.407 65 S N 1.040 116.767 115.700 0.045 0.000 2.365 65 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 65 S C 1.696 176.346 174.600 0.084 0.000 1.039 65 S CA 1.671 59.907 58.200 0.060 0.000 1.033 65 S CB -0.436 62.788 63.200 0.041 0.000 0.887 65 S HN 0.438 nan 8.310 nan 0.000 0.447 66 N N 1.103 119.853 118.700 0.082 0.000 2.364 66 N HA -0.042 4.698 4.740 -0.000 0.000 0.183 66 N C 1.689 177.267 175.510 0.113 0.000 1.022 66 N CA 1.341 54.444 53.050 0.090 0.000 0.883 66 N CB -0.268 38.273 38.487 0.091 0.000 0.965 66 N HN 0.604 nan 8.380 nan 0.000 0.438 67 S N -0.787 115.005 115.700 0.153 0.000 2.505 67 S HA 0.159 4.629 4.470 -0.000 0.000 0.216 67 S C 0.614 175.348 174.600 0.224 0.000 1.018 67 S CA -0.499 57.812 58.200 0.185 0.000 0.911 67 S CB -0.038 63.301 63.200 0.232 0.000 0.818 67 S HN 0.087 nan 8.310 nan 0.000 0.497 68 L N 4.334 125.699 121.223 0.237 0.000 2.578 68 L HA 0.390 4.730 4.340 -0.000 0.000 0.279 68 L C -0.171 176.831 176.870 0.219 0.000 1.227 68 L CA 0.658 55.672 54.840 0.289 0.000 0.900 68 L CB 0.145 42.349 42.059 0.243 0.000 1.144 68 L HN 0.524 nan 8.230 nan 0.000 0.496 69 S N 4.282 120.139 115.700 0.261 0.000 2.537 69 S HA 0.862 5.332 4.470 -0.000 0.000 0.271 69 S C -0.895 173.835 174.600 0.216 0.000 1.148 69 S CA -0.778 57.460 58.200 0.062 0.000 0.868 69 S CB 1.410 64.634 63.200 0.040 0.000 1.115 69 S HN 0.766 nan 8.310 nan 0.000 0.461 70 F N -1.078 118.963 119.950 0.153 0.000 2.693 70 F HA 0.765 5.291 4.527 -0.000 0.000 0.309 70 F C -1.680 174.214 175.800 0.157 0.000 1.129 70 F CA -0.931 57.187 58.000 0.197 0.000 0.948 70 F CB 1.087 40.239 39.000 0.254 0.000 1.315 70 F HN 0.593 nan 8.300 nan 0.000 0.447 71 D N 2.221 122.878 120.400 0.427 0.000 2.440 71 D HA 0.390 5.030 4.640 -0.000 0.000 0.239 71 D C 0.730 177.159 176.300 0.214 0.000 1.084 71 D CA -0.283 53.853 54.000 0.226 0.000 0.843 71 D CB 1.468 42.313 40.800 0.076 0.000 1.097 71 D HN 0.712 nan 8.370 nan 0.000 0.531 72 I N 2.584 123.321 120.570 0.277 0.000 2.493 72 I HA -0.187 3.983 4.170 -0.000 0.000 0.254 72 I C 2.147 178.225 176.117 -0.065 0.000 1.160 72 I CA 0.407 61.820 61.300 0.188 0.000 1.445 72 I CB 0.223 38.365 38.000 0.238 0.000 1.086 72 I HN 0.297 nan 8.210 nan 0.000 0.433 73 V N 1.159 121.042 119.914 -0.052 0.000 2.302 73 V HA -0.175 3.945 4.120 -0.000 0.000 0.243 73 V C 1.760 177.745 176.094 -0.182 0.000 1.036 73 V CA 1.671 63.914 62.300 -0.095 0.000 1.020 73 V CB -0.577 31.218 31.823 -0.046 0.000 0.657 73 V HN 0.463 nan 8.190 nan 0.000 0.453 74 N N 0.157 118.749 118.700 -0.180 0.000 2.461 74 N HA -0.002 4.738 4.740 -0.000 0.000 0.188 74 N C 0.300 175.572 175.510 -0.395 0.000 1.134 74 N CA 0.108 53.031 53.050 -0.212 0.000 0.878 74 N CB -0.131 38.284 38.487 -0.121 0.000 0.972 74 N HN 0.500 nan 8.380 nan 0.000 0.456 75 K N 0.848 120.827 120.400 -0.702 0.000 3.278 75 K HA -0.146 4.174 4.320 -0.000 0.000 0.270 75 K C -0.572 175.477 176.600 -0.918 0.000 0.955 75 K CA 0.437 55.736 56.287 -1.648 0.000 0.723 75 K CB -1.795 29.735 32.500 -1.616 0.000 1.382 75 K HN 0.385 nan 8.250 nan 0.000 0.461 76 S N 0.048 115.583 115.700 -0.274 0.000 2.568 76 S HA 0.851 5.321 4.470 -0.000 0.000 0.293 76 S C -0.592 174.251 174.600 0.405 0.000 1.089 76 S CA -1.117 57.139 58.200 0.093 0.000 0.945 76 S CB 2.949 66.164 63.200 0.026 0.000 1.077 76 S HN 0.371 nan 8.310 nan 0.000 0.485 77 L N 1.987 123.397 121.223 0.311 0.000 2.526 77 L HA 0.587 4.927 4.340 -0.000 0.000 0.263 77 L C -1.415 175.695 176.870 0.401 0.000 0.943 77 L CA -0.392 54.706 54.840 0.429 0.000 0.859 77 L CB 1.935 44.261 42.059 0.444 0.000 1.313 77 L HN 1.078 nan 8.230 nan 0.000 0.406 78 Q N 3.551 123.600 119.800 0.416 0.000 2.484 78 Q HA 0.825 5.165 4.340 -0.000 0.000 0.285 78 Q C -1.581 174.690 176.000 0.453 0.000 1.097 78 Q CA -0.761 55.224 55.803 0.303 0.000 0.802 78 Q CB 2.856 31.688 28.738 0.157 0.000 1.444 78 Q HN 0.608 nan 8.270 nan 0.000 0.429 79 F N -2.714 117.361 119.950 0.207 0.000 2.842 79 F HA 0.545 5.072 4.527 -0.000 0.000 0.319 79 F C -1.837 174.070 175.800 0.179 0.000 1.159 79 F CA -1.324 56.789 58.000 0.189 0.000 0.902 79 F CB 1.131 40.257 39.000 0.210 0.000 1.311 79 F HN 0.451 nan 8.300 nan 0.000 0.453 80 K N 0.853 121.474 120.400 0.368 0.000 2.118 80 K HA 0.592 4.912 4.320 -0.000 0.000 0.267 80 K C -2.000 174.837 176.600 0.396 0.000 0.991 80 K CA -0.923 55.527 56.287 0.272 0.000 0.916 80 K CB 1.918 34.583 32.500 0.276 0.000 1.041 80 K HN 0.741 nan 8.250 nan 0.000 0.455 81 Y N 0.480 120.838 120.300 0.096 0.000 2.480 81 Y HA 0.133 4.683 4.550 -0.000 0.000 0.329 81 Y C -1.260 174.598 175.900 -0.069 0.000 1.127 81 Y CA -0.895 57.211 58.100 0.010 0.000 1.037 81 Y CB 1.413 39.961 38.460 0.146 0.000 1.320 81 Y HN 0.396 nan 8.280 nan 0.000 0.446 82 K N 4.485 124.428 120.400 -0.761 0.000 2.165 82 K HA 0.264 4.584 4.320 -0.000 0.000 0.270 82 K C -0.484 176.019 176.600 -0.161 0.000 1.091 82 K CA 0.436 56.465 56.287 -0.430 0.000 1.019 82 K CB 0.173 32.311 32.500 -0.603 0.000 1.101 82 K HN 0.634 nan 8.250 nan 0.000 0.397 83 T N 0.607 115.203 114.554 0.071 0.000 2.786 83 T HA 0.152 4.501 4.350 -0.000 0.000 0.316 83 T C -0.618 174.135 174.700 0.087 0.000 1.503 83 T CA -0.549 61.639 62.100 0.147 0.000 1.019 83 T CB 1.512 70.559 68.868 0.299 0.000 1.415 83 T HN 0.349 nan 8.240 nan 0.000 0.496 84 Q N 0.511 120.345 119.800 0.057 0.000 2.185 84 Q HA 0.202 4.542 4.340 -0.000 0.000 0.234 84 Q C 0.265 176.274 176.000 0.016 0.000 0.819 84 Q CA 0.269 56.091 55.803 0.031 0.000 0.961 84 Q CB 0.742 29.492 28.738 0.020 0.000 1.140 84 Q HN 0.737 nan 8.270 nan 0.000 0.492 85 K N -0.442 119.965 120.400 0.013 0.000 3.129 85 K HA 0.592 4.912 4.320 -0.000 0.000 0.224 85 K C 0.916 177.512 176.600 -0.007 0.000 1.249 85 K CA 0.138 56.421 56.287 -0.007 0.000 1.177 85 K CB 0.729 33.213 32.500 -0.028 0.000 1.393 85 K HN -0.115 nan 8.250 nan 0.000 0.459 86 A N 1.485 124.306 122.820 0.002 0.000 1.917 86 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 86 A C 2.043 179.614 177.584 -0.022 0.000 1.182 86 A CA 2.232 54.262 52.037 -0.011 0.000 0.633 86 A CB -0.897 18.097 19.000 -0.010 0.000 0.819 86 A HN 0.558 nan 8.150 nan 0.000 0.448 87 T N 0.622 115.169 114.554 -0.012 0.000 2.607 87 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 87 T C 1.804 176.494 174.700 -0.017 0.000 1.049 87 T CA 1.704 63.799 62.100 -0.007 0.000 1.162 87 T CB -0.560 68.306 68.868 -0.004 0.000 0.863 87 T HN 0.458 nan 8.240 nan 0.000 0.424 88 I N 0.524 121.077 120.570 -0.027 0.000 2.185 88 I HA -0.199 3.971 4.170 -0.000 0.000 0.246 88 I C 2.389 178.472 176.117 -0.055 0.000 1.088 88 I CA 1.057 62.334 61.300 -0.039 0.000 1.347 88 I CB -0.466 37.505 38.000 -0.049 0.000 1.041 88 I HN 0.153 nan 8.210 nan 0.000 0.415 89 L N 0.834 122.018 121.223 -0.065 0.000 2.027 89 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 89 L C 2.442 179.252 176.870 -0.101 0.000 1.074 89 L CA 1.850 56.631 54.840 -0.098 0.000 0.745 89 L CB -0.652 41.340 42.059 -0.112 0.000 0.898 89 L HN 0.179 nan 8.230 nan 0.000 0.433 90 E N -0.572 119.595 120.200 -0.056 0.000 2.070 90 E HA -0.289 4.061 4.350 -0.000 0.000 0.197 90 E C 2.136 178.737 176.600 0.001 0.000 1.004 90 E CA 1.317 57.717 56.400 -0.001 0.000 0.805 90 E CB -0.363 29.370 29.700 0.056 0.000 0.744 90 E HN 0.634 nan 8.360 nan 0.000 0.451 91 A N 1.181 124.000 122.820 -0.001 0.000 1.851 91 A HA -0.239 4.080 4.320 -0.000 0.000 0.216 91 A C 2.401 179.967 177.584 -0.029 0.000 1.195 91 A CA 2.052 54.093 52.037 0.007 0.000 0.622 91 A CB -0.774 18.226 19.000 -0.001 0.000 0.831 91 A HN 0.172 nan 8.150 nan 0.000 0.444 92 S N -0.043 115.618 115.700 -0.066 0.000 2.374 92 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 92 S C 1.835 176.349 174.600 -0.142 0.000 1.037 92 S CA 1.610 59.757 58.200 -0.089 0.000 1.024 92 S CB -0.549 62.590 63.200 -0.102 0.000 0.861 92 S HN 0.475 nan 8.310 nan 0.000 0.456 93 L N 0.989 122.060 121.223 -0.253 0.000 2.017 93 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 93 L C 2.572 179.218 176.870 -0.374 0.000 1.073 93 L CA 1.496 56.025 54.840 -0.519 0.000 0.745 93 L CB -0.474 40.948 42.059 -1.062 0.000 0.894 93 L HN 0.278 nan 8.230 nan 0.000 0.432 94 K N 0.739 121.084 120.400 -0.092 0.000 2.044 94 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 94 K C 2.053 178.726 176.600 0.121 0.000 1.049 94 K CA 1.615 58.040 56.287 0.229 0.000 0.927 94 K CB -0.007 32.638 32.500 0.241 0.000 0.713 94 K HN 0.122 nan 8.250 nan 0.000 0.443 95 K N 0.017 120.442 120.400 0.041 0.000 2.218 95 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 95 K C 1.916 178.532 176.600 0.027 0.000 1.046 95 K CA 1.162 57.468 56.287 0.031 0.000 0.933 95 K CB -0.126 32.377 32.500 0.005 0.000 0.728 95 K HN 0.145 nan 8.250 nan 0.000 0.454 96 L N 0.300 121.527 121.223 0.006 0.000 2.341 96 L HA 0.119 4.459 4.340 -0.000 0.000 0.214 96 L C 0.482 177.361 176.870 0.015 0.000 1.115 96 L CA 1.273 56.120 54.840 0.013 0.000 0.820 96 L CB 0.503 42.568 42.059 0.010 0.000 0.944 96 L HN 0.027 nan 8.230 nan 0.000 0.452 97 I N -0.633 119.967 120.570 0.050 0.000 2.787 97 I HA 0.157 4.327 4.170 -0.000 0.000 0.275 97 I C -1.851 174.402 176.117 0.227 0.000 1.371 97 I CA -0.972 60.367 61.300 0.064 0.000 0.949 97 I CB 1.274 39.167 38.000 -0.179 0.000 1.407 97 I HN -0.119 nan 8.210 nan 0.000 0.557 98 P HA -0.258 nan 4.420 nan 0.000 0.216 98 P C 1.712 179.117 177.300 0.175 0.000 1.154 98 P CA 1.660 64.857 63.100 0.162 0.000 0.865 98 P CB 0.348 32.111 31.700 0.104 0.000 0.789 99 A N -2.248 120.694 122.820 0.203 0.000 1.940 99 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 99 A C 0.730 178.347 177.584 0.055 0.000 1.176 99 A CA 1.092 53.211 52.037 0.136 0.000 0.631 99 A CB -1.326 17.784 19.000 0.183 0.000 0.814 99 A HN 0.188 nan 8.150 nan 0.000 0.446 100 W N -0.852 120.431 121.300 -0.030 0.000 2.359 100 W HA 0.579 5.239 4.660 -0.000 0.000 0.344 100 W C 0.247 176.642 176.519 -0.206 0.000 1.170 100 W CA -0.540 56.699 57.345 -0.177 0.000 1.296 100 W CB 0.547 29.773 29.460 -0.389 0.000 1.197 100 W HN 0.157 nan 8.180 nan 0.000 0.618 101 E N 1.549 121.702 120.200 -0.078 0.000 2.165 101 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 101 E C -1.669 174.858 176.600 -0.123 0.000 0.889 101 E CA -0.536 55.854 56.400 -0.017 0.000 0.756 101 E CB 0.371 30.068 29.700 -0.004 0.000 1.131 101 E HN 0.140 nan 8.360 nan 0.000 0.411 102 F N 1.929 121.986 119.950 0.180 0.000 2.432 102 F HA 0.567 5.094 4.527 -0.000 0.000 0.329 102 F C 0.316 176.155 175.800 0.065 0.000 1.076 102 F CA -0.683 57.417 58.000 0.167 0.000 1.018 102 F CB 2.324 41.421 39.000 0.163 0.000 1.201 102 F HN 0.218 nan 8.300 nan 0.000 0.489 103 T N 4.028 118.690 114.554 0.180 0.000 2.985 103 T HA 0.419 4.769 4.350 -0.000 0.000 0.315 103 T C -0.654 173.966 174.700 -0.133 0.000 1.001 103 T CA -0.437 61.686 62.100 0.038 0.000 1.016 103 T CB 0.534 69.430 68.868 0.046 0.000 0.993 103 T HN 0.158 nan 8.240 nan 0.000 0.454 104 I N 4.260 124.718 120.570 -0.187 0.000 2.371 104 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 104 I C 0.224 176.259 176.117 -0.136 0.000 1.028 104 I CA -0.799 60.307 61.300 -0.323 0.000 1.345 104 I CB 0.623 38.474 38.000 -0.249 0.000 1.407 104 I HN 0.605 nan 8.210 nan 0.000 0.501 105 I N 8.088 128.595 120.570 -0.105 0.000 2.339 105 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 105 I C -2.228 173.915 176.117 0.043 0.000 0.994 105 I CA -1.992 59.303 61.300 -0.008 0.000 1.191 105 I CB 1.443 39.455 38.000 0.020 0.000 1.343 105 I HN 0.243 nan 8.210 nan 0.000 0.458 106 P HA -0.116 nan 4.420 nan 0.000 0.264 106 P C -0.063 177.293 177.300 0.095 0.000 1.183 106 P CA 0.268 63.408 63.100 0.067 0.000 0.763 106 P CB 0.361 32.082 31.700 0.036 0.000 0.807 107 Y N 3.472 123.758 120.300 -0.022 0.000 2.337 107 Y HA 0.009 4.559 4.550 -0.000 0.000 0.293 107 Y C 0.457 176.343 175.900 -0.023 0.000 1.123 107 Y CA 1.266 59.347 58.100 -0.033 0.000 1.201 107 Y CB 0.216 38.623 38.460 -0.089 0.000 1.011 107 Y HN 0.250 nan 8.280 nan 0.000 0.545 108 N N 1.533 120.239 118.700 0.010 0.000 2.816 108 N HA 0.219 4.959 4.740 -0.000 0.000 0.236 108 N C 0.212 175.705 175.510 -0.029 0.000 1.076 108 N CA 0.351 53.369 53.050 -0.052 0.000 0.902 108 N CB 0.863 39.366 38.487 0.026 0.000 1.149 108 N HN 0.364 nan 8.380 nan 0.000 0.506 109 G N 0.529 109.296 108.800 -0.055 0.000 2.527 109 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.279 109 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.279 109 G C 0.937 175.824 174.900 -0.022 0.000 1.374 109 G CA 0.155 45.237 45.100 -0.030 0.000 1.053 109 G HN 0.367 nan 8.290 nan 0.000 0.539 110 Q N -0.368 119.423 119.800 -0.016 0.000 2.119 110 Q HA -0.003 4.337 4.340 -0.000 0.000 0.201 110 Q C 1.362 177.353 176.000 -0.016 0.000 0.972 110 Q CA 1.758 57.554 55.803 -0.011 0.000 0.847 110 Q CB -0.410 28.323 28.738 -0.008 0.000 0.903 110 Q HN 0.820 nan 8.270 nan 0.000 0.433 115 D N 0.334 120.728 120.400 -0.009 0.000 2.198 115 D HA 0.438 5.078 4.640 -0.000 0.000 0.245 115 D C 1.461 177.756 176.300 -0.009 0.000 1.079 115 D CA -0.488 53.507 54.000 -0.009 0.000 0.854 115 D CB 1.050 41.845 40.800 -0.008 0.000 1.148 115 D HN 0.535 nan 8.370 nan 0.000 0.456 116 I N 2.096 122.660 120.570 -0.010 0.000 2.065 116 I HA -0.408 3.762 4.170 -0.000 0.000 0.236 116 I C 2.549 178.659 176.117 -0.012 0.000 1.028 116 I CA 2.023 63.316 61.300 -0.011 0.000 1.299 116 I CB -0.965 37.028 38.000 -0.013 0.000 1.015 116 I HN 0.581 nan 8.210 nan 0.000 0.396 117 T N -1.233 113.314 114.554 -0.011 0.000 2.751 117 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 117 T C 1.313 176.007 174.700 -0.009 0.000 1.045 117 T CA 2.056 64.150 62.100 -0.011 0.000 1.142 117 T CB -0.677 68.186 68.868 -0.010 0.000 0.851 117 T HN 0.333 nan 8.240 nan 0.000 0.474 118 D N 1.436 121.831 120.400 -0.008 0.000 2.110 118 D HA 0.125 4.764 4.640 -0.000 0.000 0.202 118 D C 2.230 178.527 176.300 -0.005 0.000 0.975 118 D CA 0.795 54.792 54.000 -0.005 0.000 0.839 118 D CB -0.516 40.280 40.800 -0.005 0.000 0.996 118 D HN 0.430 nan 8.370 nan 0.000 0.464 119 I N 0.889 121.456 120.570 -0.006 0.000 2.185 119 I HA -0.280 3.889 4.170 -0.000 0.000 0.246 119 I C 2.322 178.435 176.117 -0.006 0.000 1.088 119 I CA 0.839 62.136 61.300 -0.005 0.000 1.347 119 I CB -0.414 37.581 38.000 -0.007 0.000 1.041 119 I HN -0.087 nan 8.210 nan 0.000 0.415 120 V N 1.124 121.031 119.914 -0.012 0.000 2.216 120 V HA -0.302 3.818 4.120 -0.000 0.000 0.243 120 V C 2.664 178.751 176.094 -0.012 0.000 1.044 120 V CA 2.358 64.647 62.300 -0.018 0.000 0.995 120 V CB -1.165 30.643 31.823 -0.025 0.000 0.633 120 V HN 0.617 nan 8.190 nan 0.000 0.446 121 S N -0.011 115.684 115.700 -0.008 0.000 2.392 121 S HA -0.301 4.169 4.470 -0.000 0.000 0.232 121 S C 2.127 176.733 174.600 0.010 0.000 1.041 121 S CA 2.063 60.263 58.200 0.000 0.000 1.026 121 S CB -0.854 62.346 63.200 0.000 0.000 0.845 121 S HN 0.536 nan 8.310 nan 0.000 0.465 122 S N 1.378 117.083 115.700 0.008 0.000 2.368 122 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 122 S C 1.840 176.456 174.600 0.026 0.000 1.029 122 S CA 1.073 59.282 58.200 0.015 0.000 0.988 122 S CB -0.594 62.611 63.200 0.009 0.000 0.838 122 S HN 0.592 nan 8.310 nan 0.000 0.462 123 L N 1.083 122.319 121.223 0.022 0.000 2.056 123 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 123 L C 2.884 179.795 176.870 0.069 0.000 1.078 123 L CA 1.560 56.423 54.840 0.038 0.000 0.749 123 L CB -0.660 41.405 42.059 0.011 0.000 0.901 123 L HN 0.372 nan 8.230 nan 0.000 0.433 124 Q N 0.415 120.237 119.800 0.037 0.000 2.135 124 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 124 Q C 2.010 178.082 176.000 0.121 0.000 0.981 124 Q CA 1.753 57.590 55.803 0.056 0.000 0.856 124 Q CB -0.345 28.400 28.738 0.011 0.000 0.902 124 Q HN 0.310 nan 8.270 nan 0.000 0.425 125 L N 0.213 121.483 121.223 0.078 0.000 2.005 125 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 125 L C 2.231 179.147 176.870 0.077 0.000 1.072 125 L CA 2.000 56.879 54.840 0.066 0.000 0.744 125 L CB -0.703 41.378 42.059 0.038 0.000 0.895 125 L HN 0.324 nan 8.230 nan 0.000 0.433 126 Q N -1.684 118.163 119.800 0.079 0.000 2.096 126 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 126 Q C 2.226 178.284 176.000 0.096 0.000 0.982 126 Q CA 1.971 57.816 55.803 0.069 0.000 0.850 126 Q CB -0.521 28.256 28.738 0.065 0.000 0.901 126 Q HN 0.461 nan 8.270 nan 0.000 0.422 127 F N 1.966 121.912 119.950 -0.006 0.000 2.147 127 F HA -0.262 4.265 4.527 -0.000 0.000 0.301 127 F C 1.727 177.523 175.800 -0.006 0.000 1.084 127 F CA 1.848 59.844 58.000 -0.006 0.000 1.268 127 F CB 0.062 39.059 39.000 -0.005 0.000 1.009 127 F HN 0.071 nan 8.300 nan 0.000 0.486 128 E N 0.173 120.399 120.200 0.043 0.000 2.033 128 E HA -0.052 4.298 4.350 -0.000 0.000 0.189 128 E C 1.418 177.970 176.600 -0.080 0.000 0.979 128 E CA 0.720 57.093 56.400 -0.045 0.000 0.802 128 E CB -0.535 29.195 29.700 0.050 0.000 0.763 128 E HN 0.436 nan 8.360 nan 0.000 0.449 137 N N 0.672 119.409 118.700 0.061 0.000 2.557 137 N HA 0.016 4.756 4.740 -0.000 0.000 0.217 137 N C 1.954 177.479 175.510 0.025 0.000 1.062 137 N CA 1.454 54.525 53.050 0.034 0.000 0.863 137 N CB -0.277 38.228 38.487 0.029 0.000 1.390 137 N HN 0.309 nan 8.380 nan 0.000 0.445 138 S N -0.141 115.584 115.700 0.041 0.000 2.478 138 S HA -0.044 4.425 4.470 -0.000 0.000 0.222 138 S C 1.756 176.385 174.600 0.049 0.000 1.008 138 S CA 0.464 58.682 58.200 0.031 0.000 0.928 138 S CB -0.693 62.528 63.200 0.034 0.000 0.781 138 S HN 0.418 nan 8.310 nan 0.000 0.518 139 H N 1.335 120.389 119.070 -0.027 0.000 2.524 139 H HA 0.290 4.846 4.556 -0.000 0.000 0.282 139 H C 2.099 177.398 175.328 -0.048 0.000 1.016 139 H CA 1.100 57.129 56.048 -0.032 0.000 1.270 139 H CB -0.363 29.384 29.762 -0.026 0.000 1.394 139 H HN 0.446 nan 8.280 nan 0.000 0.568 140 S N -0.362 115.281 115.700 -0.096 0.000 2.357 140 S HA -0.053 4.417 4.470 -0.000 0.000 0.221 140 S C 1.891 176.374 174.600 -0.195 0.000 1.031 140 S CA 0.938 59.039 58.200 -0.165 0.000 0.982 140 S CB 0.021 63.168 63.200 -0.089 0.000 0.853 140 S HN 0.473 nan 8.310 nan 0.000 0.458 141 K N 0.533 120.854 120.400 -0.131 0.000 2.211 141 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 141 K C 2.122 178.644 176.600 -0.130 0.000 1.050 141 K CA 0.950 57.161 56.287 -0.125 0.000 0.945 141 K CB -0.088 32.370 32.500 -0.071 0.000 0.732 141 K HN 0.124 nan 8.250 nan 0.000 0.451 142 K N 0.878 121.197 120.400 -0.135 0.000 2.025 142 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 142 K C 1.986 178.484 176.600 -0.171 0.000 1.049 142 K CA 1.282 57.497 56.287 -0.121 0.000 0.933 142 K CB 0.048 32.502 32.500 -0.077 0.000 0.714 142 K HN -0.075 nan 8.250 nan 0.000 0.438 143 M N 0.331 119.765 119.600 -0.277 0.000 2.132 143 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 143 M C 2.151 178.320 176.300 -0.218 0.000 1.065 143 M CA 1.411 56.555 55.300 -0.260 0.000 1.122 143 M CB -0.960 31.436 32.600 -0.340 0.000 1.365 143 M HN 0.129 nan 8.290 nan 0.000 0.411 144 L N -0.227 120.854 121.223 -0.236 0.000 2.079 144 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 144 L C 2.673 179.447 176.870 -0.158 0.000 1.081 144 L CA 1.107 55.810 54.840 -0.229 0.000 0.752 144 L CB -0.602 41.301 42.059 -0.261 0.000 0.896 144 L HN 0.236 nan 8.230 nan 0.000 0.433 145 K N -0.041 120.284 120.400 -0.125 0.000 2.026 145 K HA -0.130 4.189 4.320 -0.000 0.000 0.208 145 K C 2.197 178.754 176.600 -0.073 0.000 1.048 145 K CA 1.483 57.721 56.287 -0.082 0.000 0.929 145 K CB -0.541 31.922 32.500 -0.062 0.000 0.713 145 K HN 0.293 nan 8.250 nan 0.000 0.439 146 A N 1.962 124.735 122.820 -0.078 0.000 1.849 146 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 146 A C 2.260 179.808 177.584 -0.060 0.000 1.202 146 A CA 1.873 53.877 52.037 -0.055 0.000 0.629 146 A CB -1.020 17.949 19.000 -0.052 0.000 0.834 146 A HN 0.270 nan 8.150 nan 0.000 0.447 147 L N -0.602 120.558 121.223 -0.106 0.000 2.058 147 L HA -0.251 4.089 4.340 -0.000 0.000 0.226 147 L C 2.199 178.992 176.870 -0.127 0.000 1.089 147 L CA 2.239 56.979 54.840 -0.166 0.000 0.799 147 L CB -0.292 41.596 42.059 -0.284 0.000 0.900 147 L HN 0.421 nan 8.230 nan 0.000 0.442 148 L N -2.033 119.133 121.223 -0.095 0.000 2.249 148 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 148 L C 2.388 179.249 176.870 -0.016 0.000 1.090 148 L CA 1.225 56.036 54.840 -0.048 0.000 0.802 148 L CB -1.039 41.001 42.059 -0.031 0.000 0.947 148 L HN 0.288 nan 8.230 nan 0.000 0.453 149 S N -0.463 115.225 115.700 -0.020 0.000 2.387 149 S HA -0.067 4.403 4.470 -0.000 0.000 0.226 149 S C 1.025 175.630 174.600 0.008 0.000 1.026 149 S CA 0.567 58.765 58.200 -0.004 0.000 0.972 149 S CB 0.057 63.250 63.200 -0.011 0.000 0.814 149 S HN 0.442 nan 8.310 nan 0.000 0.477 150 E N 0.191 120.397 120.200 0.010 0.000 3.368 150 E HA 0.169 4.519 4.350 -0.000 0.000 0.320 150 E C 1.794 178.415 176.600 0.035 0.000 1.507 150 E CA 0.120 56.536 56.400 0.026 0.000 1.600 150 E CB -0.150 29.573 29.700 0.038 0.000 1.117 150 E HN 0.289 nan 8.360 nan 0.000 0.726 151 G N 0.134 108.960 108.800 0.045 0.000 2.666 151 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 151 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 151 G C -0.173 174.762 174.900 0.059 0.000 1.294 151 G CA 0.372 45.502 45.100 0.050 0.000 0.811 151 G HN 0.527 nan 8.290 nan 0.000 0.594 152 E N 0.776 121.019 120.200 0.072 0.000 3.225 152 E HA 0.051 4.401 4.350 -0.000 0.000 0.289 152 E C 0.665 177.305 176.600 0.068 0.000 0.885 152 E CA 0.372 56.821 56.400 0.081 0.000 0.986 152 E CB 0.236 30.002 29.700 0.110 0.000 0.971 152 E HN 0.474 nan 8.360 nan 0.000 0.508 153 S N 2.968 118.719 115.700 0.085 0.000 2.669 153 S HA 0.226 4.696 4.470 -0.000 0.000 0.270 153 S C 1.367 175.995 174.600 0.047 0.000 1.225 153 S CA -1.017 57.240 58.200 0.096 0.000 0.991 153 S CB 0.873 64.160 63.200 0.146 0.000 0.987 153 S HN 0.441 nan 8.310 nan 0.000 0.552 154 I N -0.397 120.179 120.570 0.010 0.000 2.163 154 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 154 I C 2.077 178.019 176.117 -0.291 0.000 1.085 154 I CA 1.545 62.738 61.300 -0.179 0.000 1.347 154 I CB -1.323 36.513 38.000 -0.274 0.000 1.044 154 I HN 0.783 nan 8.210 nan 0.000 0.408 155 W N 1.507 122.711 121.300 -0.160 0.000 2.374 155 W HA -0.159 4.501 4.660 0.000 0.000 0.288 155 W C 2.617 179.092 176.519 -0.074 0.000 1.218 155 W CA 0.785 58.043 57.345 -0.146 0.000 1.245 155 W CB -0.209 29.202 29.460 -0.082 0.000 1.126 155 W HN 0.208 nan 8.180 nan 0.000 0.545 156 E N 0.192 120.507 120.200 0.190 0.000 2.072 156 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 156 E C 1.950 178.627 176.600 0.129 0.000 0.985 156 E CA 1.523 58.014 56.400 0.152 0.000 0.801 156 E CB -0.451 29.326 29.700 0.129 0.000 0.750 156 E HN 0.325 nan 8.360 nan 0.000 0.452 157 I N 1.080 121.685 120.570 0.059 0.000 2.226 157 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 157 I C 2.375 178.506 176.117 0.023 0.000 1.100 157 I CA 1.091 62.407 61.300 0.027 0.000 1.374 157 I CB -0.506 37.380 38.000 -0.189 0.000 1.057 157 I HN 0.099 nan 8.210 nan 0.000 0.413 158 T N 0.033 114.545 114.554 -0.070 0.000 2.708 158 T HA -0.248 4.102 4.350 -0.000 0.000 0.266 158 T C 1.812 176.614 174.700 0.170 0.000 1.037 158 T CA 1.797 63.891 62.100 -0.011 0.000 1.146 158 T CB -0.269 68.345 68.868 -0.425 0.000 0.865 158 T HN 0.465 nan 8.240 nan 0.000 0.435 159 E N 1.007 121.316 120.200 0.181 0.000 2.077 159 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 159 E C 2.228 178.911 176.600 0.138 0.000 0.989 159 E CA 1.226 57.744 56.400 0.196 0.000 0.800 159 E CB -0.073 29.745 29.700 0.197 0.000 0.746 159 E HN 0.383 nan 8.360 nan 0.000 0.452 160 K N 0.371 120.846 120.400 0.125 0.000 2.032 160 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 160 K C 2.118 178.717 176.600 -0.001 0.000 1.048 160 K CA 1.745 58.083 56.287 0.085 0.000 0.927 160 K CB -0.138 32.452 32.500 0.150 0.000 0.712 160 K HN 0.196 nan 8.250 nan 0.000 0.441 161 I N 0.575 121.127 120.570 -0.030 0.000 2.179 161 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 161 I C 2.214 178.149 176.117 -0.305 0.000 1.088 161 I CA 0.567 61.681 61.300 -0.310 0.000 1.357 161 I CB -0.279 37.360 38.000 -0.602 0.000 1.051 161 I HN 0.201 nan 8.210 nan 0.000 0.409 162 L N 1.204 122.379 121.223 -0.080 0.000 2.043 162 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 162 L C 1.977 178.993 176.870 0.245 0.000 1.075 162 L CA 2.096 57.062 54.840 0.210 0.000 0.752 162 L CB -1.042 41.169 42.059 0.254 0.000 0.891 162 L HN 0.267 nan 8.230 nan 0.000 0.432 163 N N -1.418 117.353 118.700 0.117 0.000 2.216 163 N HA -0.169 4.571 4.740 -0.000 0.000 0.183 163 N C 1.822 177.344 175.510 0.020 0.000 1.017 163 N CA 1.108 54.221 53.050 0.105 0.000 0.861 163 N CB -0.102 38.448 38.487 0.106 0.000 0.986 163 N HN 0.475 nan 8.380 nan 0.000 0.428 164 S N 0.340 115.938 115.700 -0.170 0.000 2.461 164 S HA -0.178 4.291 4.470 -0.000 0.000 0.246 164 S C 1.358 175.763 174.600 -0.326 0.000 1.007 164 S CA 1.103 59.106 58.200 -0.327 0.000 0.976 164 S CB -0.707 62.134 63.200 -0.598 0.000 0.763 164 S HN 0.319 nan 8.310 nan 0.000 0.508 165 F N 1.146 121.112 119.950 0.028 0.000 2.619 165 F HA 0.336 4.863 4.527 -0.000 0.000 0.293 165 F C 2.433 178.279 175.800 0.077 0.000 1.119 165 F CA 0.206 58.269 58.000 0.104 0.000 1.445 165 F CB -0.399 38.738 39.000 0.227 0.000 1.119 165 F HN 0.155 nan 8.300 nan 0.000 0.573 166 E N 0.795 121.087 120.200 0.154 0.000 2.108 166 E HA -0.261 4.089 4.350 -0.000 0.000 0.203 166 E C 1.113 177.515 176.600 -0.331 0.000 1.022 166 E CA 2.195 58.503 56.400 -0.154 0.000 0.823 166 E CB -0.415 29.045 29.700 -0.400 0.000 0.744 166 E HN 0.563 nan 8.360 nan 0.000 0.456 167 Y N -1.737 118.628 120.300 0.108 0.000 2.453 167 Y HA 0.221 4.771 4.550 -0.000 0.000 0.247 167 Y C 1.907 177.849 175.900 0.070 0.000 1.124 167 Y CA 0.610 58.754 58.100 0.073 0.000 1.243 167 Y CB 0.326 38.809 38.460 0.039 0.000 1.213 167 Y HN 0.142 nan 8.280 nan 0.000 0.523 168 T N -3.524 111.153 114.554 0.205 0.000 3.065 168 T HA 0.128 4.478 4.350 -0.000 0.000 0.252 168 T C 0.783 175.598 174.700 0.192 0.000 1.099 168 T CA -0.009 62.186 62.100 0.158 0.000 1.063 168 T CB -0.176 68.753 68.868 0.101 0.000 0.948 168 T HN -0.030 nan 8.240 nan 0.000 0.506 169 S N 1.538 117.381 115.700 0.238 0.000 2.576 169 S HA 0.347 4.817 4.470 -0.000 0.000 0.276 169 S C 1.074 175.775 174.600 0.168 0.000 1.339 169 S CA -0.763 57.601 58.200 0.274 0.000 1.039 169 S CB 1.768 65.137 63.200 0.281 0.000 0.902 169 S HN 0.433 nan 8.310 nan 0.000 0.516 170 R N 0.575 121.188 120.500 0.188 0.000 2.161 170 R HA 0.137 4.477 4.340 -0.000 0.000 0.213 170 R C -0.720 175.421 176.300 -0.266 0.000 1.055 170 R CA 0.971 57.060 56.100 -0.017 0.000 0.996 170 R CB 0.147 30.470 30.300 0.038 0.000 0.901 170 R HN 0.548 nan 8.270 nan 0.000 0.456 171 F N -2.484 117.492 119.950 0.042 0.000 2.620 171 F HA 0.321 4.848 4.527 -0.000 0.000 0.320 171 F C 1.220 177.018 175.800 -0.003 0.000 1.069 171 F CA -0.967 57.042 58.000 0.016 0.000 0.953 171 F CB 1.751 40.753 39.000 0.003 0.000 1.322 171 F HN -0.320 nan 8.300 nan 0.000 0.479 172 T N -0.482 114.189 114.554 0.194 0.000 2.857 172 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 172 T C 1.976 176.720 174.700 0.073 0.000 1.048 172 T CA 1.333 63.492 62.100 0.099 0.000 1.139 172 T CB -0.092 68.818 68.868 0.070 0.000 0.874 172 T HN 0.491 nan 8.240 nan 0.000 0.455 173 K N 0.869 121.319 120.400 0.083 0.000 2.009 173 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 173 K C 2.551 179.108 176.600 -0.072 0.000 1.049 173 K CA 1.920 58.215 56.287 0.012 0.000 0.929 173 K CB -0.334 32.154 32.500 -0.020 0.000 0.714 173 K HN 0.485 nan 8.250 nan 0.000 0.440 174 T N -0.534 113.943 114.554 -0.129 0.000 2.788 174 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 174 T C 1.913 176.193 174.700 -0.700 0.000 1.044 174 T CA 1.357 63.160 62.100 -0.494 0.000 1.139 174 T CB -0.220 68.440 68.868 -0.346 0.000 0.867 174 T HN 0.241 nan 8.240 nan 0.000 0.454 175 K N 0.759 121.035 120.400 -0.206 0.000 2.002 175 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 175 K C 2.536 179.138 176.600 0.003 0.000 1.048 175 K CA 1.787 58.060 56.287 -0.023 0.000 0.930 175 K CB -0.663 31.887 32.500 0.083 0.000 0.714 175 K HN 0.336 nan 8.250 nan 0.000 0.438 176 T N 1.982 116.551 114.554 0.026 0.000 2.684 176 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 176 T C 1.850 176.654 174.700 0.173 0.000 1.036 176 T CA 1.503 63.676 62.100 0.121 0.000 1.148 176 T CB -0.145 68.783 68.868 0.099 0.000 0.863 176 T HN 0.161 nan 8.240 nan 0.000 0.436 177 L N -0.454 120.805 121.223 0.060 0.000 1.994 177 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 177 L C 2.531 179.461 176.870 0.100 0.000 1.071 177 L CA 1.479 56.387 54.840 0.114 0.000 0.745 177 L CB -0.700 41.373 42.059 0.023 0.000 0.892 177 L HN 0.280 nan 8.230 nan 0.000 0.431 178 Y N 0.611 120.890 120.300 -0.036 0.000 2.081 178 Y HA -0.306 4.244 4.550 -0.000 0.000 0.280 178 Y C 2.796 178.544 175.900 -0.253 0.000 1.163 178 Y CA 1.062 58.996 58.100 -0.277 0.000 1.135 178 Y CB -1.227 36.759 38.460 -0.790 0.000 0.970 178 Y HN 0.279 nan 8.280 nan 0.000 0.498 179 Q N -1.263 118.580 119.800 0.072 0.000 2.084 179 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 179 Q C 2.212 178.337 176.000 0.210 0.000 0.978 179 Q CA 1.755 57.693 55.803 0.225 0.000 0.844 179 Q CB -0.647 28.346 28.738 0.424 0.000 0.898 179 Q HN 0.468 nan 8.270 nan 0.000 0.426 180 F N 1.755 121.771 119.950 0.111 0.000 2.051 180 F HA -0.239 4.288 4.527 -0.000 0.000 0.296 180 F C 1.981 177.744 175.800 -0.062 0.000 1.122 180 F CA 1.179 59.195 58.000 0.027 0.000 1.201 180 F CB -0.564 38.383 39.000 -0.087 0.000 0.978 180 F HN 0.053 nan 8.300 nan 0.000 0.472 181 L N 0.076 121.141 121.223 -0.263 0.000 1.990 181 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 181 L C 2.296 178.985 176.870 -0.302 0.000 1.072 181 L CA 2.171 56.765 54.840 -0.410 0.000 0.755 181 L CB -1.630 40.201 42.059 -0.379 0.000 0.889 181 L HN 0.321 nan 8.230 nan 0.000 0.432 182 F N -0.499 119.321 119.950 -0.216 0.000 2.069 182 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 182 F C 2.200 177.987 175.800 -0.021 0.000 1.113 182 F CA 2.009 60.016 58.000 0.011 0.000 1.214 182 F CB -0.694 38.440 39.000 0.223 0.000 0.978 182 F HN 0.189 nan 8.300 nan 0.000 0.474 183 L N 0.816 121.835 121.223 -0.341 0.000 2.083 183 L HA -0.009 4.331 4.340 -0.000 0.000 0.209 183 L C 2.456 179.131 176.870 -0.326 0.000 1.083 183 L CA 2.001 56.612 54.840 -0.381 0.000 0.752 183 L CB -1.546 40.368 42.059 -0.243 0.000 0.899 183 L HN 0.220 nan 8.230 nan 0.000 0.433 184 A N -0.998 121.586 122.820 -0.393 0.000 1.883 184 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 184 A C 2.378 179.756 177.584 -0.343 0.000 1.186 184 A CA 2.676 54.476 52.037 -0.394 0.000 0.624 184 A CB -1.428 17.178 19.000 -0.657 0.000 0.822 184 A HN 0.615 nan 8.150 nan 0.000 0.444 185 T N -2.913 111.447 114.554 -0.323 0.000 2.720 185 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 185 T C 1.716 176.274 174.700 -0.237 0.000 1.037 185 T CA 1.647 63.604 62.100 -0.238 0.000 1.144 185 T CB -0.543 68.247 68.868 -0.130 0.000 0.864 185 T HN 0.367 nan 8.240 nan 0.000 0.444 186 F N 2.430 122.099 119.950 -0.467 0.000 2.060 186 F HA 0.074 4.601 4.527 -0.000 0.000 0.295 186 F C 2.047 177.684 175.800 -0.272 0.000 1.120 186 F CA 0.534 58.273 58.000 -0.434 0.000 1.205 186 F CB -0.613 37.979 39.000 -0.680 0.000 0.986 186 F HN -0.003 nan 8.300 nan 0.000 0.470 187 I N 1.176 121.451 120.570 -0.491 0.000 2.194 187 I HA -0.348 3.822 4.170 -0.000 0.000 0.246 187 I C 1.722 177.742 176.117 -0.161 0.000 1.093 187 I CA 1.598 62.696 61.300 -0.338 0.000 1.355 187 I CB -1.471 36.439 38.000 -0.151 0.000 1.046 187 I HN 0.356 nan 8.210 nan 0.000 0.413 188 N N -0.717 117.863 118.700 -0.199 0.000 2.236 188 N HA -0.022 4.718 4.740 -0.000 0.000 0.196 188 N C 0.985 176.359 175.510 -0.226 0.000 1.114 188 N CA 0.358 53.316 53.050 -0.154 0.000 0.859 188 N CB 0.377 38.763 38.487 -0.167 0.000 0.982 188 N HN 0.375 nan 8.380 nan 0.000 0.493 189 C N 1.365 120.508 119.300 -0.260 0.000 4.365 189 C HA -0.137 4.323 4.460 -0.000 0.000 0.299 189 C C 0.985 175.823 174.990 -0.254 0.000 1.409 189 C CA 0.065 58.940 59.018 -0.238 0.000 2.007 189 C CB -2.149 25.464 27.740 -0.212 0.000 1.264 189 C HN 0.511 nan 8.230 nan 0.000 0.777 190 G N 0.385 109.039 108.800 -0.242 0.000 2.509 190 G HA2 0.707 4.667 3.960 -0.000 0.000 0.328 190 G HA3 0.707 4.667 3.960 -0.000 0.000 0.328 190 G C -0.332 174.444 174.900 -0.207 0.000 1.194 190 G CA -0.779 44.178 45.100 -0.239 0.000 0.967 190 G HN 0.718 nan 8.290 nan 0.000 0.488 191 R N -0.639 119.763 120.500 -0.164 0.000 2.546 191 R HA 0.269 4.609 4.340 -0.000 0.000 0.266 191 R C 1.036 177.364 176.300 0.047 0.000 1.086 191 R CA -0.702 55.383 56.100 -0.025 0.000 1.160 191 R CB 0.675 31.019 30.300 0.072 0.000 1.138 191 R HN 0.477 nan 8.270 nan 0.000 0.567 192 F N 2.005 121.975 119.950 0.033 0.000 2.043 192 F HA -0.309 4.218 4.527 -0.000 0.000 0.297 192 F C 2.248 178.032 175.800 -0.028 0.000 1.118 192 F CA 2.416 60.413 58.000 -0.004 0.000 1.202 192 F CB -0.708 38.319 39.000 0.045 0.000 0.965 192 F HN 0.608 nan 8.300 nan 0.000 0.482 193 S N -0.196 115.358 115.700 -0.243 0.000 2.402 193 S HA -0.255 4.215 4.470 -0.000 0.000 0.233 193 S C 1.734 176.164 174.600 -0.283 0.000 1.030 193 S CA 1.492 59.480 58.200 -0.354 0.000 1.003 193 S CB -0.984 62.148 63.200 -0.113 0.000 0.813 193 S HN 0.539 nan 8.310 nan 0.000 0.477 194 D N 1.435 121.713 120.400 -0.202 0.000 2.178 194 D HA -0.011 4.629 4.640 -0.000 0.000 0.201 194 D C 1.844 178.021 176.300 -0.206 0.000 0.980 194 D CA 0.900 54.786 54.000 -0.190 0.000 0.842 194 D CB -0.131 40.559 40.800 -0.183 0.000 0.948 194 D HN 0.407 nan 8.370 nan 0.000 0.472 195 I N 0.619 121.042 120.570 -0.246 0.000 2.494 195 I HA -0.084 4.086 4.170 -0.000 0.000 0.250 195 I C 2.303 178.299 176.117 -0.202 0.000 1.112 195 I CA 0.498 61.672 61.300 -0.211 0.000 1.438 195 I CB -0.835 37.025 38.000 -0.232 0.000 1.111 195 I HN -0.047 nan 8.210 nan 0.000 0.431 196 K N 1.690 121.847 120.400 -0.404 0.000 2.032 196 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 196 K C 1.339 177.842 176.600 -0.162 0.000 1.048 196 K CA 1.736 57.801 56.287 -0.369 0.000 0.927 196 K CB -0.157 31.856 32.500 -0.811 0.000 0.712 196 K HN 0.353 nan 8.250 nan 0.000 0.441 197 N N 0.453 119.050 118.700 -0.172 0.000 2.449 197 N HA 0.005 4.745 4.740 -0.000 0.000 0.191 197 N C -0.528 174.963 175.510 -0.033 0.000 1.161 197 N CA -0.522 52.481 53.050 -0.079 0.000 0.863 197 N CB 0.478 38.910 38.487 -0.092 0.000 0.980 197 N HN -0.078 nan 8.380 nan 0.000 0.458 198 V N 1.423 121.323 119.914 -0.024 0.000 2.673 198 V HA -0.106 4.014 4.120 -0.000 0.000 0.303 198 V C 0.393 176.531 176.094 0.075 0.000 1.046 198 V CA 0.269 62.565 62.300 -0.007 0.000 1.126 198 V CB 0.818 32.642 31.823 0.000 0.000 0.934 198 V HN 0.200 nan 8.190 nan 0.000 0.487 199 D N 7.641 128.076 120.400 0.057 0.000 2.393 199 D HA 0.200 4.840 4.640 -0.000 0.000 0.232 199 D C -0.959 175.465 176.300 0.207 0.000 1.192 199 D CA -2.177 51.901 54.000 0.131 0.000 0.882 199 D CB 1.426 42.280 40.800 0.091 0.000 1.038 199 D HN 0.267 nan 8.370 nan 0.000 0.499 200 P HA -0.206 nan 4.420 nan 0.000 0.218 200 P C 0.657 178.226 177.300 0.449 0.000 1.146 200 P CA 1.070 64.464 63.100 0.490 0.000 0.820 200 P CB 0.311 32.289 31.700 0.464 0.000 0.778 201 K N 0.075 120.662 120.400 0.311 0.000 2.525 201 K HA 0.041 4.361 4.320 -0.000 0.000 0.192 201 K C 1.783 178.501 176.600 0.197 0.000 1.029 201 K CA 0.893 57.326 56.287 0.243 0.000 1.029 201 K CB -0.134 32.491 32.500 0.209 0.000 0.814 201 K HN 0.243 nan 8.250 nan 0.000 0.503 202 S N -0.241 115.562 115.700 0.171 0.000 2.556 202 S HA 0.133 4.603 4.470 -0.000 0.000 0.216 202 S C 0.318 174.936 174.600 0.031 0.000 0.970 202 S CA -0.620 57.623 58.200 0.072 0.000 0.912 202 S CB -0.265 62.938 63.200 0.006 0.000 0.790 202 S HN -0.008 nan 8.310 nan 0.000 0.504 203 F N 3.115 123.080 119.950 0.026 0.000 2.578 203 F HA 0.371 4.898 4.527 -0.001 0.000 0.376 203 F C 0.981 176.776 175.800 -0.009 0.000 1.085 203 F CA 0.515 58.519 58.000 0.006 0.000 1.260 203 F CB 0.464 39.462 39.000 -0.002 0.000 1.095 203 F HN 0.067 nan 8.300 nan 0.000 0.573 204 K N 3.373 123.831 120.400 0.097 0.000 2.533 204 K HA 0.555 4.875 4.320 -0.000 0.000 0.272 204 K C -1.475 175.120 176.600 -0.009 0.000 0.985 204 K CA -1.019 55.288 56.287 0.032 0.000 0.876 204 K CB 2.342 34.818 32.500 -0.040 0.000 1.452 204 K HN 0.371 nan 8.250 nan 0.000 0.439 205 L N 2.102 123.299 121.223 -0.043 0.000 2.275 205 L HA 0.497 4.837 4.340 -0.000 0.000 0.288 205 L C -0.761 176.012 176.870 -0.162 0.000 1.046 205 L CA -0.956 53.803 54.840 -0.134 0.000 0.805 205 L CB 1.417 43.385 42.059 -0.152 0.000 1.193 205 L HN 0.247 nan 8.230 nan 0.000 0.426 206 V N 3.066 122.849 119.914 -0.218 0.000 2.735 206 V HA 0.301 4.421 4.120 -0.000 0.000 0.310 206 V C -0.176 175.739 176.094 -0.298 0.000 1.061 206 V CA -0.825 61.347 62.300 -0.214 0.000 0.913 206 V CB 2.080 33.792 31.823 -0.185 0.000 1.005 206 V HN 0.713 nan 8.190 nan 0.000 0.428 207 Q N 2.996 122.633 119.800 -0.271 0.000 2.373 207 Q HA 0.305 4.644 4.340 -0.000 0.000 0.255 207 Q C -0.334 175.496 176.000 -0.283 0.000 0.980 207 Q CA -0.026 55.577 55.803 -0.334 0.000 0.882 207 Q CB 0.828 29.423 28.738 -0.238 0.000 1.249 207 Q HN 0.663 nan 8.270 nan 0.000 0.438 208 N N 1.062 119.581 118.700 -0.302 0.000 2.519 208 N HA 0.035 4.775 4.740 -0.000 0.000 0.291 208 N C 0.003 175.412 175.510 -0.168 0.000 1.107 208 N CA -0.156 52.770 53.050 -0.208 0.000 0.904 208 N CB 1.194 39.535 38.487 -0.242 0.000 1.500 208 N HN 0.640 nan 8.380 nan 0.000 0.510 209 K N 2.391 122.691 120.400 -0.167 0.000 2.360 209 K HA -0.120 4.199 4.320 -0.000 0.000 0.201 209 K C 0.229 176.641 176.600 -0.314 0.000 1.046 209 K CA 1.354 57.487 56.287 -0.257 0.000 0.940 209 K CB -0.071 32.212 32.500 -0.361 0.000 0.748 209 K HN 0.497 nan 8.250 nan 0.000 0.465 210 Y N 0.308 120.537 120.300 -0.118 0.000 2.503 210 Y HA 0.230 4.780 4.550 0.001 0.000 0.277 210 Y C 1.519 177.434 175.900 0.026 0.000 1.102 210 Y CA 0.088 58.105 58.100 -0.140 0.000 1.261 210 Y CB 0.574 38.756 38.460 -0.463 0.000 1.096 210 Y HN -0.095 nan 8.280 nan 0.000 0.546 211 L N -1.688 119.595 121.223 0.100 0.000 2.966 211 L HA 0.449 4.789 4.340 -0.000 0.000 0.262 211 L C 1.486 178.321 176.870 -0.059 0.000 1.165 211 L CA 0.471 55.336 54.840 0.042 0.000 0.978 211 L CB 0.548 42.632 42.059 0.041 0.000 1.337 211 L HN 0.338 nan 8.230 nan 0.000 0.563 212 G N 1.239 109.957 108.800 -0.138 0.000 5.347 212 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.299 212 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.299 212 G C 0.124 174.516 174.900 -0.846 0.000 1.492 212 G CA 0.168 45.051 45.100 -0.362 0.000 0.991 212 G HN 0.349 nan 8.290 nan 0.000 0.749 213 V N -0.098 119.281 119.914 -0.892 0.000 3.078 213 V HA 0.907 5.027 4.120 -0.000 0.000 0.311 213 V C -0.031 175.788 176.094 -0.458 0.000 1.138 213 V CA -0.401 61.411 62.300 -0.814 0.000 1.007 213 V CB 1.845 32.991 31.823 -1.128 0.000 1.045 213 V HN 1.839 nan 8.190 nan 0.000 0.432 214 I N -0.376 119.982 120.570 -0.353 0.000 2.969 214 I HA 0.675 4.845 4.170 -0.000 0.000 0.307 214 I C -1.023 175.050 176.117 -0.073 0.000 1.149 214 I CA -1.174 60.045 61.300 -0.134 0.000 1.008 214 I CB 2.492 40.375 38.000 -0.195 0.000 1.232 214 I HN 0.632 nan 8.210 nan 0.000 0.435 215 I N 3.063 123.709 120.570 0.127 0.000 2.342 215 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 215 I C -0.169 176.009 176.117 0.102 0.000 1.010 215 I CA -0.114 61.293 61.300 0.178 0.000 1.308 215 I CB 1.279 39.517 38.000 0.396 0.000 1.400 215 I HN 0.622 nan 8.210 nan 0.000 0.488 216 Q N 6.596 126.339 119.800 -0.095 0.000 2.353 216 Q HA 0.584 4.924 4.340 -0.000 0.000 0.268 216 Q C -1.296 174.426 176.000 -0.464 0.000 1.045 216 Q CA -0.676 54.862 55.803 -0.441 0.000 0.811 216 Q CB 2.445 30.867 28.738 -0.526 0.000 1.305 216 Q HN 0.926 nan 8.270 nan 0.000 0.447 217 C N 1.334 120.271 119.300 -0.604 0.000 3.108 217 C HA 0.898 5.358 4.460 -0.000 0.000 0.321 217 C C -1.134 173.680 174.990 -0.293 0.000 1.357 217 C CA -1.097 57.568 59.018 -0.588 0.000 1.562 217 C CB 0.541 27.614 27.740 -1.111 0.000 2.003 217 C HN 0.861 nan 8.230 nan 0.000 0.460 218 L N 1.369 122.484 121.223 -0.180 0.000 2.362 218 L HA 0.876 5.216 4.340 -0.000 0.000 0.271 218 L C -0.777 176.026 176.870 -0.112 0.000 1.002 218 L CA -0.329 54.459 54.840 -0.087 0.000 0.818 218 L CB 2.018 44.072 42.059 -0.009 0.000 1.298 218 L HN 0.781 nan 8.230 nan 0.000 0.420 219 V N 3.680 123.509 119.914 -0.142 0.000 2.448 219 V HA 0.514 4.634 4.120 -0.000 0.000 0.295 219 V C 0.361 176.397 176.094 -0.097 0.000 1.025 219 V CA -0.282 61.950 62.300 -0.113 0.000 0.859 219 V CB 1.125 32.864 31.823 -0.139 0.000 0.988 219 V HN 0.931 nan 8.190 nan 0.000 0.431 220 T N 1.501 116.025 114.554 -0.051 0.000 3.056 220 T HA 0.068 4.418 4.350 -0.000 0.000 0.241 220 T C 0.935 175.614 174.700 -0.036 0.000 1.006 220 T CA 0.251 62.339 62.100 -0.019 0.000 1.115 220 T CB 0.151 69.025 68.868 0.010 0.000 0.939 220 T HN 0.726 nan 8.240 nan 0.000 0.462 221 E N 3.601 123.775 120.200 -0.044 0.000 2.148 221 E HA 0.095 4.445 4.350 -0.000 0.000 0.308 221 E C -0.017 176.542 176.600 -0.067 0.000 1.278 221 E CA -0.329 56.042 56.400 -0.048 0.000 1.368 221 E CB -0.132 29.543 29.700 -0.041 0.000 1.229 221 E HN 0.478 nan 8.360 nan 0.000 0.494 222 T N -1.941 112.569 114.554 -0.073 0.000 2.881 222 T HA 0.180 4.530 4.350 -0.000 0.000 0.278 222 T C 1.180 175.837 174.700 -0.071 0.000 0.982 222 T CA -0.809 61.239 62.100 -0.088 0.000 0.989 222 T CB 1.781 70.584 68.868 -0.108 0.000 1.058 222 T HN 0.160 nan 8.240 nan 0.000 0.529 223 K N 0.176 120.532 120.400 -0.073 0.000 2.020 223 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 223 K C 1.999 178.571 176.600 -0.046 0.000 1.050 223 K CA 2.094 58.348 56.287 -0.054 0.000 0.929 223 K CB -0.850 31.622 32.500 -0.047 0.000 0.714 223 K HN 0.876 nan 8.250 nan 0.000 0.443 224 T N -1.783 112.738 114.554 -0.054 0.000 3.219 224 T HA 0.104 4.454 4.350 -0.000 0.000 0.249 224 T C 0.512 175.192 174.700 -0.034 0.000 1.099 224 T CA 0.523 62.600 62.100 -0.037 0.000 0.988 224 T CB -0.025 68.817 68.868 -0.043 0.000 0.999 224 T HN 0.229 nan 8.240 nan 0.000 0.550 225 S N -0.734 114.942 115.700 -0.040 0.000 3.358 225 S HA -0.132 4.338 4.470 -0.000 0.000 0.309 225 S C 0.296 174.877 174.600 -0.033 0.000 1.247 225 S CA 0.666 58.848 58.200 -0.031 0.000 0.961 225 S CB -2.139 61.053 63.200 -0.013 0.000 1.074 225 S HN 0.637 nan 8.310 nan 0.000 0.625 226 V N 2.355 122.236 119.914 -0.055 0.000 2.350 226 V HA 0.356 4.476 4.120 -0.000 0.000 0.276 226 V C 0.779 176.808 176.094 -0.108 0.000 1.028 226 V CA -0.472 61.786 62.300 -0.070 0.000 0.860 226 V CB 1.590 33.366 31.823 -0.078 0.000 0.990 226 V HN 0.405 nan 8.190 nan 0.000 0.453 227 S N 5.447 121.077 115.700 -0.117 0.000 2.573 227 S HA 0.442 4.912 4.470 -0.000 0.000 0.277 227 S C 0.225 174.659 174.600 -0.277 0.000 1.346 227 S CA -0.251 57.838 58.200 -0.185 0.000 1.034 227 S CB 0.355 63.424 63.200 -0.218 0.000 0.879 227 S HN 0.918 nan 8.310 nan 0.000 0.528 228 R N 0.917 121.232 120.500 -0.308 0.000 2.734 228 R HA 0.521 4.861 4.340 -0.000 0.000 0.271 228 R C -1.627 174.436 176.300 -0.395 0.000 1.021 228 R CA -0.977 54.921 56.100 -0.337 0.000 0.893 228 R CB 0.707 30.876 30.300 -0.218 0.000 1.244 228 R HN 0.517 nan 8.270 nan 0.000 0.464 229 H N 0.764 119.727 119.070 -0.178 0.000 2.472 229 H HA 0.482 5.038 4.556 0.000 0.000 0.335 229 H C -0.301 174.802 175.328 -0.374 0.000 1.136 229 H CA -0.576 55.272 56.048 -0.334 0.000 1.264 229 H CB 1.517 31.028 29.762 -0.418 0.000 1.486 229 H HN 0.305 nan 8.280 nan 0.000 0.517 230 I N 3.308 123.625 120.570 -0.422 0.000 2.465 230 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 230 I C -0.507 175.206 176.117 -0.673 0.000 1.014 230 I CA -0.655 60.397 61.300 -0.413 0.000 1.093 230 I CB 0.881 38.661 38.000 -0.367 0.000 1.267 230 I HN 0.450 nan 8.210 nan 0.000 0.431 231 Y N 5.446 125.539 120.300 -0.346 0.000 2.587 231 Y HA 0.674 5.224 4.550 -0.000 0.000 0.337 231 Y C -0.575 174.954 175.900 -0.620 0.000 1.065 231 Y CA -0.996 56.953 58.100 -0.252 0.000 1.126 231 Y CB 1.768 40.346 38.460 0.197 0.000 1.279 231 Y HN 0.264 nan 8.280 nan 0.000 0.489 232 F N 1.863 122.049 119.950 0.392 0.000 2.588 232 F HA 0.571 5.098 4.527 -0.001 0.000 0.314 232 F C -1.137 174.800 175.800 0.228 0.000 1.134 232 F CA -1.021 57.074 58.000 0.157 0.000 0.961 232 F CB 1.625 40.724 39.000 0.166 0.000 1.239 232 F HN 0.349 nan 8.300 nan 0.000 0.448 233 F N -0.525 119.623 119.950 0.329 0.000 2.686 233 F HA 0.668 5.194 4.527 -0.000 0.000 0.311 233 F C -0.426 175.504 175.800 0.216 0.000 1.128 233 F CA -1.559 56.570 58.000 0.214 0.000 0.946 233 F CB 1.020 40.127 39.000 0.180 0.000 1.336 233 F HN 0.297 nan 8.300 nan 0.000 0.457 234 S N 0.949 116.868 115.700 0.365 0.000 2.549 234 S HA 0.660 5.130 4.470 -0.000 0.000 0.283 234 S C -0.349 174.639 174.600 0.646 0.000 1.320 234 S CA 0.241 58.675 58.200 0.391 0.000 1.058 234 S CB -0.012 63.458 63.200 0.449 0.000 0.882 234 S HN 1.278 nan 8.310 nan 0.000 0.498 235 A N 5.172 128.271 122.820 0.465 0.000 2.393 235 A HA 0.602 4.922 4.320 -0.000 0.000 0.306 235 A C -0.171 177.349 177.584 -0.107 0.000 1.050 235 A CA -0.856 51.333 52.037 0.254 0.000 0.724 235 A CB 1.075 20.163 19.000 0.147 0.000 1.248 235 A HN 0.904 nan 8.150 nan 0.000 0.424 236 R N 1.455 121.510 120.500 -0.742 0.000 2.438 236 R HA 0.508 4.848 4.340 -0.000 0.000 0.287 236 R C 0.532 176.589 176.300 -0.405 0.000 1.077 236 R CA 1.429 57.084 56.100 -0.741 0.000 1.034 236 R CB 0.463 30.087 30.300 -1.126 0.000 0.993 236 R HN 2.000 nan 8.270 nan 0.000 0.459 237 G N 2.731 111.392 108.800 -0.232 0.000 2.362 237 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.517 237 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.517 237 G C 0.002 174.856 174.900 -0.077 0.000 1.256 237 G CA -0.416 44.575 45.100 -0.182 0.000 1.027 237 G HN 0.641 nan 8.290 nan 0.000 0.491 238 R N -0.738 119.736 120.500 -0.043 0.000 2.236 238 R HA 0.109 4.449 4.340 -0.000 0.000 0.208 238 R C 0.631 177.004 176.300 0.122 0.000 1.036 238 R CA 0.737 56.863 56.100 0.043 0.000 1.001 238 R CB -0.045 30.291 30.300 0.061 0.000 0.896 238 R HN 0.344 nan 8.270 nan 0.000 0.464 239 I N 1.591 122.217 120.570 0.092 0.000 2.330 239 I HA 0.143 4.313 4.170 -0.000 0.000 0.286 239 I C -0.655 175.590 176.117 0.214 0.000 1.025 239 I CA -1.162 60.281 61.300 0.239 0.000 1.197 239 I CB 1.030 39.192 38.000 0.270 0.000 1.358 239 I HN -0.161 nan 8.210 nan 0.000 0.467 240 D N 8.938 129.544 120.400 0.343 0.000 2.453 240 D HA 0.405 5.045 4.640 -0.000 0.000 0.238 240 D C -1.903 174.621 176.300 0.373 0.000 1.088 240 D CA -2.123 52.054 54.000 0.295 0.000 0.854 240 D CB 2.530 43.499 40.800 0.283 0.000 1.076 240 D HN 0.073 nan 8.370 nan 0.000 0.533 241 P HA -0.162 nan 4.420 nan 0.000 0.216 241 P C 1.717 179.166 177.300 0.247 0.000 1.154 241 P CA 1.011 64.245 63.100 0.223 0.000 0.865 241 P CB 0.277 31.935 31.700 -0.069 0.000 0.789 242 L N -1.417 119.888 121.223 0.136 0.000 2.079 242 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 242 L C 2.318 179.255 176.870 0.111 0.000 1.081 242 L CA 1.428 56.293 54.840 0.041 0.000 0.752 242 L CB -1.072 40.835 42.059 -0.254 0.000 0.896 242 L HN -0.077 nan 8.230 nan 0.000 0.433 243 V N -1.185 118.843 119.914 0.190 0.000 2.307 243 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 243 V C 2.178 178.272 176.094 0.001 0.000 1.045 243 V CA 1.791 64.143 62.300 0.086 0.000 1.024 243 V CB -0.687 31.146 31.823 0.017 0.000 0.651 243 V HN 0.298 nan 8.190 nan 0.000 0.449 244 Y N -0.634 119.754 120.300 0.145 0.000 2.293 244 Y HA -0.144 4.406 4.550 -0.000 0.000 0.291 244 Y C 2.157 178.146 175.900 0.148 0.000 1.137 244 Y CA 1.324 59.535 58.100 0.185 0.000 1.202 244 Y CB -0.403 38.215 38.460 0.263 0.000 0.990 244 Y HN 0.204 nan 8.280 nan 0.000 0.537 245 L N 0.545 121.883 121.223 0.192 0.000 2.046 245 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 245 L C 1.851 178.586 176.870 -0.225 0.000 1.077 245 L CA 2.174 56.936 54.840 -0.129 0.000 0.747 245 L CB -0.947 40.936 42.059 -0.294 0.000 0.896 245 L HN 0.215 nan 8.230 nan 0.000 0.432 246 D N -0.970 119.368 120.400 -0.104 0.000 2.084 246 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 246 D C 1.941 178.227 176.300 -0.023 0.000 0.990 246 D CA 1.381 55.358 54.000 -0.039 0.000 0.826 246 D CB 0.036 40.878 40.800 0.071 0.000 0.971 246 D HN 0.345 nan 8.370 nan 0.000 0.453 247 E N -0.412 119.777 120.200 -0.018 0.000 2.077 247 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 247 E C 1.963 178.550 176.600 -0.022 0.000 0.989 247 E CA 0.467 56.862 56.400 -0.009 0.000 0.800 247 E CB -0.640 29.055 29.700 -0.008 0.000 0.746 247 E HN 0.441 nan 8.360 nan 0.000 0.452 248 F N 1.760 121.575 119.950 -0.225 0.000 2.026 248 F HA -0.193 4.334 4.527 -0.000 0.000 0.296 248 F C 2.184 177.790 175.800 -0.324 0.000 1.133 248 F CA 1.398 59.166 58.000 -0.387 0.000 1.188 248 F CB -0.763 37.617 39.000 -1.032 0.000 0.968 248 F HN -0.081 nan 8.300 nan 0.000 0.476 249 L N 0.228 120.897 121.223 -0.923 0.000 2.081 249 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 249 L C 2.334 179.106 176.870 -0.163 0.000 1.080 249 L CA 1.603 55.895 54.840 -0.912 0.000 0.754 249 L CB -0.692 40.727 42.059 -1.068 0.000 0.893 249 L HN 0.147 nan 8.230 nan 0.000 0.433 250 R N -0.161 120.310 120.500 -0.049 0.000 2.325 250 R HA 0.039 4.379 4.340 -0.000 0.000 0.214 250 R C 0.773 177.064 176.300 -0.016 0.000 0.961 250 R CA 0.124 56.253 56.100 0.047 0.000 1.086 250 R CB -0.011 30.318 30.300 0.049 0.000 1.037 250 R HN 0.460 nan 8.270 nan 0.000 0.493 251 N N -1.216 117.444 118.700 -0.067 0.000 2.104 251 N HA 0.079 4.819 4.740 -0.000 0.000 0.227 251 N C -0.351 175.123 175.510 -0.060 0.000 1.321 251 N CA 0.144 53.166 53.050 -0.047 0.000 0.877 251 N CB 1.197 39.673 38.487 -0.018 0.000 1.117 251 N HN -0.106 nan 8.380 nan 0.000 0.486 252 S N 0.363 115.994 115.700 -0.115 0.000 2.689 252 S HA 0.549 5.019 4.470 -0.000 0.000 0.306 252 S C -0.632 173.920 174.600 -0.079 0.000 1.104 252 S CA -0.471 57.690 58.200 -0.066 0.000 0.973 252 S CB 2.211 65.397 63.200 -0.024 0.000 1.121 252 S HN 0.067 nan 8.310 nan 0.000 0.523 253 E N 0.419 120.508 120.200 -0.185 0.000 2.410 253 E HA 0.465 4.815 4.350 -0.000 0.000 0.269 253 E C -2.861 173.287 176.600 -0.754 0.000 0.937 253 E CA -2.199 53.784 56.400 -0.696 0.000 0.793 253 E CB 0.737 30.148 29.700 -0.482 0.000 1.314 253 E HN 0.235 nan 8.360 nan 0.000 0.447 254 P HA 0.024 nan 4.420 nan 0.000 0.267 254 P C -1.108 176.118 177.300 -0.123 0.000 1.200 254 P CA -0.006 62.702 63.100 -0.653 0.000 0.772 254 P CB 0.481 31.554 31.700 -1.045 0.000 0.855 255 V N 4.450 124.455 119.914 0.153 0.000 2.459 255 V HA 0.243 4.363 4.120 -0.000 0.000 0.295 255 V C 0.401 176.664 176.094 0.282 0.000 1.029 255 V CA -0.815 61.599 62.300 0.191 0.000 0.874 255 V CB 1.385 33.317 31.823 0.181 0.000 0.985 255 V HN 0.391 nan 8.190 nan 0.000 0.438 256 L N 3.703 125.038 121.223 0.188 0.000 2.499 256 L HA 0.179 4.519 4.340 -0.000 0.000 0.273 256 L C 0.720 177.626 176.870 0.061 0.000 1.195 256 L CA -0.178 54.710 54.840 0.080 0.000 0.882 256 L CB 0.261 42.326 42.059 0.010 0.000 1.133 256 L HN 0.572 nan 8.230 nan 0.000 0.483 257 K N 4.904 125.318 120.400 0.022 0.000 2.430 257 K HA -0.018 4.301 4.320 -0.000 0.000 0.280 257 K C 0.049 176.659 176.600 0.017 0.000 1.063 257 K CA 0.291 56.596 56.287 0.030 0.000 1.071 257 K CB 0.176 32.680 32.500 0.006 0.000 0.899 257 K HN 0.400 nan 8.250 nan 0.000 0.473 258 R N 3.397 123.918 120.500 0.036 0.000 2.543 258 R HA 0.129 4.469 4.340 -0.000 0.000 0.277 258 R C -0.755 175.566 176.300 0.035 0.000 1.074 258 R CA -0.493 55.630 56.100 0.038 0.000 1.076 258 R CB 0.567 30.901 30.300 0.056 0.000 0.993 258 R HN 0.441 nan 8.270 nan 0.000 0.459 259 V N 5.075 125.010 119.914 0.035 0.000 2.572 259 V HA 0.025 4.145 4.120 -0.000 0.000 0.291 259 V C 0.467 176.632 176.094 0.117 0.000 1.039 259 V CA 0.202 62.526 62.300 0.039 0.000 1.055 259 V CB 1.160 32.982 31.823 -0.001 0.000 0.969 259 V HN 0.851 nan 8.190 nan 0.000 0.482 260 N N 4.977 123.745 118.700 0.113 0.000 2.365 260 N HA 0.206 4.945 4.740 -0.000 0.000 0.257 260 N C -0.064 175.561 175.510 0.192 0.000 1.287 260 N CA -0.210 52.934 53.050 0.156 0.000 0.882 260 N CB 0.819 39.319 38.487 0.021 0.000 1.250 260 N HN 0.832 nan 8.380 nan 0.000 0.507 261 R N -1.915 118.733 120.500 0.246 0.000 2.634 261 R HA 0.232 4.572 4.340 -0.000 0.000 0.263 261 R C 0.540 176.892 176.300 0.086 0.000 1.060 261 R CA -0.542 55.689 56.100 0.219 0.000 0.898 261 R CB -0.115 30.230 30.300 0.074 0.000 1.253 261 R HN -0.127 nan 8.270 nan 0.000 0.461 262 T N -1.124 113.463 114.554 0.054 0.000 2.977 262 T HA -0.013 4.337 4.350 -0.000 0.000 0.271 262 T C 1.212 175.900 174.700 -0.019 0.000 1.105 262 T CA 0.682 62.747 62.100 -0.059 0.000 1.116 262 T CB -0.508 68.393 68.868 0.055 0.000 0.878 262 T HN 0.745 nan 8.240 nan 0.000 0.509 263 G N 2.372 111.180 108.800 0.013 0.000 2.568 263 G HA2 0.091 4.050 3.960 -0.000 0.000 0.231 263 G HA3 0.091 4.050 3.960 -0.000 0.000 0.231 263 G C 0.906 175.795 174.900 -0.019 0.000 1.261 263 G CA 0.002 45.109 45.100 0.012 0.000 0.855 263 G HN 0.504 nan 8.290 nan 0.000 0.576 264 N N -0.737 117.954 118.700 -0.015 0.000 2.392 264 N HA -0.088 4.652 4.740 -0.000 0.000 0.177 264 N C 1.105 176.599 175.510 -0.027 0.000 1.066 264 N CA 0.580 53.611 53.050 -0.031 0.000 0.895 264 N CB -0.253 38.219 38.487 -0.025 0.000 0.988 264 N HN 0.447 nan 8.380 nan 0.000 0.457 265 S N 0.221 115.911 115.700 -0.017 0.000 2.737 265 S HA 0.019 4.489 4.470 -0.000 0.000 0.315 265 S C 0.671 175.257 174.600 -0.023 0.000 1.236 265 S CA -0.140 58.050 58.200 -0.017 0.000 1.093 265 S CB 0.711 63.905 63.200 -0.010 0.000 0.832 265 S HN 0.358 nan 8.310 nan 0.000 0.507 266 S N 2.291 117.975 115.700 -0.027 0.000 2.728 266 S HA 0.067 4.537 4.470 -0.000 0.000 0.257 266 S C 1.782 176.364 174.600 -0.030 0.000 1.060 266 S CA 0.252 58.433 58.200 -0.032 0.000 1.126 266 S CB -0.502 62.675 63.200 -0.038 0.000 1.099 266 S HN 0.910 nan 8.310 nan 0.000 0.617 267 S N 2.181 117.866 115.700 -0.025 0.000 2.381 267 S HA -0.106 4.364 4.470 -0.000 0.000 0.230 267 S C 0.544 175.130 174.600 -0.023 0.000 1.052 267 S CA 1.066 59.253 58.200 -0.022 0.000 1.068 267 S CB -0.691 62.499 63.200 -0.017 0.000 0.918 267 S HN 0.711 nan 8.310 nan 0.000 0.448 268 N N 0.934 119.619 118.700 -0.025 0.000 2.397 268 N HA 0.592 5.332 4.740 -0.000 0.000 0.291 268 N C -1.522 173.969 175.510 -0.030 0.000 1.065 268 N CA -0.805 52.228 53.050 -0.027 0.000 0.884 268 N CB 1.993 40.463 38.487 -0.028 0.000 1.551 268 N HN 0.555 nan 8.380 nan 0.000 0.487 269 K N 0.020 120.402 120.400 -0.030 0.000 2.960 269 K HA 0.050 4.369 4.320 -0.000 0.000 0.296 269 K C -1.837 174.748 176.600 -0.025 0.000 1.092 269 K CA -1.073 55.197 56.287 -0.028 0.000 0.847 269 K CB 0.626 33.108 32.500 -0.030 0.000 1.458 269 K HN 0.416 nan 8.250 nan 0.000 0.359 270 Q N 0.950 120.742 119.800 -0.013 0.000 2.327 270 Q HA 0.151 4.491 4.340 -0.000 0.000 0.254 270 Q C -0.050 175.923 176.000 -0.044 0.000 0.952 270 Q CA 0.014 55.818 55.803 0.003 0.000 0.884 270 Q CB 1.264 30.029 28.738 0.044 0.000 1.224 270 Q HN 0.779 nan 8.270 nan 0.000 0.422 271 E N 1.709 121.839 120.200 -0.118 0.000 2.400 271 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 271 E C -0.543 175.825 176.600 -0.385 0.000 1.012 271 E CA 0.077 56.298 56.400 -0.299 0.000 0.875 271 E CB 0.112 29.529 29.700 -0.472 0.000 0.859 271 E HN 0.634 nan 8.360 nan 0.000 0.498 272 Y N 1.551 121.883 120.300 0.054 0.000 2.524 272 Y HA 0.314 4.863 4.550 -0.000 0.000 0.344 272 Y C -0.075 175.886 175.900 0.101 0.000 1.012 272 Y CA -1.271 56.877 58.100 0.080 0.000 1.068 272 Y CB 1.924 40.451 38.460 0.111 0.000 1.249 272 Y HN -0.055 nan 8.280 nan 0.000 0.468 273 Q N 0.890 120.878 119.800 0.314 0.000 2.423 273 Q HA 0.386 4.726 4.340 -0.000 0.000 0.278 273 Q C -0.661 175.514 176.000 0.292 0.000 1.097 273 Q CA -0.893 55.044 55.803 0.224 0.000 0.809 273 Q CB 2.347 31.165 28.738 0.132 0.000 1.391 273 Q HN 0.677 nan 8.270 nan 0.000 0.428 274 L N 0.731 122.116 121.223 0.269 0.000 2.056 274 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 274 L C 0.093 177.202 176.870 0.398 0.000 1.078 274 L CA 1.789 56.850 54.840 0.367 0.000 0.749 274 L CB 0.020 42.255 42.059 0.292 0.000 0.901 274 L HN 0.678 nan 8.230 nan 0.000 0.433 275 L N -1.776 119.591 121.223 0.239 0.000 2.257 275 L HA 0.386 4.726 4.340 -0.000 0.000 0.257 275 L C -0.117 176.879 176.870 0.209 0.000 1.033 275 L CA -1.101 53.889 54.840 0.250 0.000 0.835 275 L CB 1.260 43.434 42.059 0.192 0.000 1.398 275 L HN -0.286 nan 8.230 nan 0.000 0.429 276 K N 0.578 121.121 120.400 0.238 0.000 2.174 276 K HA 0.134 4.454 4.320 -0.000 0.000 0.275 276 K C -0.013 176.755 176.600 0.280 0.000 1.015 276 K CA -0.600 55.813 56.287 0.210 0.000 0.933 276 K CB 1.250 33.855 32.500 0.174 0.000 1.025 276 K HN 0.488 nan 8.250 nan 0.000 0.463 277 D N 1.562 122.098 120.400 0.227 0.000 2.158 277 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 277 D C 0.847 177.319 176.300 0.287 0.000 0.995 277 D CA 1.432 55.600 54.000 0.280 0.000 0.846 277 D CB 0.152 41.055 40.800 0.172 0.000 0.941 277 D HN 0.448 nan 8.370 nan 0.000 0.456 278 N N 0.694 119.505 118.700 0.186 0.000 2.515 278 N HA -0.059 4.681 4.740 -0.000 0.000 0.185 278 N C 1.835 177.408 175.510 0.105 0.000 1.109 278 N CA -0.061 53.061 53.050 0.120 0.000 0.903 278 N CB -0.064 38.479 38.487 0.094 0.000 0.969 278 N HN 0.167 nan 8.380 nan 0.000 0.450 279 L N 0.761 122.090 121.223 0.177 0.000 2.081 279 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 279 L C 2.018 178.895 176.870 0.013 0.000 1.080 279 L CA 1.341 56.285 54.840 0.173 0.000 0.754 279 L CB -0.890 41.344 42.059 0.292 0.000 0.893 279 L HN -0.023 nan 8.230 nan 0.000 0.433 280 V N -0.367 119.329 119.914 -0.364 0.000 2.392 280 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 280 V C 2.897 178.898 176.094 -0.154 0.000 1.059 280 V CA 2.129 64.077 62.300 -0.587 0.000 1.051 280 V CB -0.406 30.732 31.823 -1.141 0.000 0.658 280 V HN 0.667 nan 8.190 nan 0.000 0.455 281 R N 1.154 121.610 120.500 -0.073 0.000 2.070 281 R HA -0.116 4.224 4.340 -0.000 0.000 0.233 281 R C 2.576 178.889 176.300 0.021 0.000 1.137 281 R CA 2.390 58.482 56.100 -0.013 0.000 0.945 281 R CB -0.924 29.385 30.300 0.015 0.000 0.845 281 R HN 0.708 nan 8.270 nan 0.000 0.430 282 S N -0.647 115.102 115.700 0.081 0.000 2.382 282 S HA -0.189 4.280 4.470 -0.000 0.000 0.228 282 S C 1.976 176.595 174.600 0.031 0.000 1.027 282 S CA 1.115 59.390 58.200 0.126 0.000 0.991 282 S CB -0.840 62.511 63.200 0.253 0.000 0.823 282 S HN 0.478 nan 8.310 nan 0.000 0.469 283 Y N 3.532 123.770 120.300 -0.103 0.000 2.145 283 Y HA -0.103 4.447 4.550 -0.000 0.000 0.286 283 Y C 2.072 177.822 175.900 -0.250 0.000 1.145 283 Y CA 1.678 59.569 58.100 -0.348 0.000 1.148 283 Y CB -0.679 37.690 38.460 -0.151 0.000 0.981 283 Y HN 0.156 nan 8.280 nan 0.000 0.507 284 N N 0.497 119.093 118.700 -0.174 0.000 2.142 284 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 284 N C 1.864 177.262 175.510 -0.187 0.000 1.023 284 N CA 1.345 54.274 53.050 -0.202 0.000 0.852 284 N CB -0.433 38.018 38.487 -0.060 0.000 0.998 284 N HN 0.370 nan 8.380 nan 0.000 0.424 285 K N 0.682 121.010 120.400 -0.121 0.000 2.063 285 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 285 K C 1.873 178.398 176.600 -0.125 0.000 1.048 285 K CA 1.280 57.519 56.287 -0.081 0.000 0.928 285 K CB -0.041 32.446 32.500 -0.023 0.000 0.713 285 K HN 0.131 nan 8.250 nan 0.000 0.442 286 A N 0.981 123.676 122.820 -0.208 0.000 1.855 286 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 286 A C 1.985 179.405 177.584 -0.273 0.000 1.191 286 A CA 1.031 52.942 52.037 -0.211 0.000 0.613 286 A CB -0.640 18.131 19.000 -0.381 0.000 0.829 286 A HN 0.283 nan 8.150 nan 0.000 0.442 287 L N 0.065 121.046 121.223 -0.403 0.000 2.081 287 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 287 L C 2.328 178.947 176.870 -0.419 0.000 1.080 287 L CA 2.644 57.143 54.840 -0.568 0.000 0.754 287 L CB -0.648 41.003 42.059 -0.681 0.000 0.893 287 L HN 0.498 nan 8.230 nan 0.000 0.433 288 K N -0.553 119.714 120.400 -0.223 0.000 2.026 288 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 288 K C 2.091 178.639 176.600 -0.088 0.000 1.048 288 K CA 1.623 57.857 56.287 -0.088 0.000 0.929 288 K CB -0.079 32.393 32.500 -0.047 0.000 0.713 288 K HN 0.223 nan 8.250 nan 0.000 0.439 289 K N 0.210 120.545 120.400 -0.109 0.000 1.991 289 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 289 K C 1.331 177.860 176.600 -0.118 0.000 1.045 289 K CA 1.324 57.561 56.287 -0.084 0.000 0.937 289 K CB -0.255 32.211 32.500 -0.056 0.000 0.720 289 K HN 0.235 nan 8.250 nan 0.000 0.438 290 N N 1.603 120.190 118.700 -0.189 0.000 2.617 290 N HA -0.020 4.719 4.740 -0.000 0.000 0.198 290 N C -0.166 175.182 175.510 -0.271 0.000 1.317 290 N CA 0.185 53.094 53.050 -0.235 0.000 0.892 290 N CB -0.261 38.022 38.487 -0.339 0.000 1.041 290 N HN 0.122 nan 8.380 nan 0.000 0.450 291 A N 2.015 124.717 122.820 -0.198 0.000 2.353 291 A HA -0.092 4.228 4.320 -0.000 0.000 0.315 291 A C -0.927 176.608 177.584 -0.082 0.000 1.307 291 A CA -0.445 51.536 52.037 -0.093 0.000 1.294 291 A CB -0.318 18.700 19.000 0.030 0.000 0.769 291 A HN 0.169 nan 8.150 nan 0.000 0.428 292 P HA -0.048 nan 4.420 nan 0.000 0.222 292 P C -0.274 176.810 177.300 -0.359 0.000 1.147 292 P CA 1.389 64.350 63.100 -0.231 0.000 0.790 292 P CB 0.068 31.661 31.700 -0.179 0.000 0.780 293 Y N -3.315 117.093 120.300 0.180 0.000 2.588 293 Y HA 0.275 4.825 4.550 -0.000 0.000 0.343 293 Y C -1.572 174.374 175.900 0.077 0.000 1.065 293 Y CA -2.334 55.831 58.100 0.108 0.000 1.038 293 Y CB 0.676 39.173 38.460 0.062 0.000 1.297 293 Y HN -0.313 nan 8.280 nan 0.000 0.467 294 P HA -0.225 nan 4.420 nan 0.000 0.215 294 P C 1.774 179.066 177.300 -0.013 0.000 1.157 294 P CA 1.677 64.810 63.100 0.055 0.000 0.874 294 P CB 0.478 32.195 31.700 0.029 0.000 0.790 295 I N -0.167 120.320 120.570 -0.138 0.000 2.182 295 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 295 I C 2.079 178.024 176.117 -0.286 0.000 1.073 295 I CA 1.587 62.698 61.300 -0.316 0.000 1.335 295 I CB -1.124 36.549 38.000 -0.546 0.000 1.031 295 I HN -0.215 nan 8.210 nan 0.000 0.420 296 F N 0.141 120.085 119.950 -0.010 0.000 2.641 296 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 296 F C 2.267 178.051 175.800 -0.026 0.000 1.146 296 F CA 0.557 58.541 58.000 -0.026 0.000 1.464 296 F CB -0.603 38.369 39.000 -0.047 0.000 1.101 296 F HN 0.151 nan 8.300 nan 0.000 0.585 297 A N 0.176 123.066 122.820 0.118 0.000 2.081 297 A HA 0.151 4.471 4.320 -0.000 0.000 0.214 297 A C 1.070 178.692 177.584 0.063 0.000 1.158 297 A CA -0.067 52.018 52.037 0.080 0.000 0.724 297 A CB -0.550 18.489 19.000 0.065 0.000 0.826 297 A HN 0.222 nan 8.150 nan 0.000 0.463 298 I N 1.398 121.996 120.570 0.048 0.000 2.587 298 I HA -0.007 4.163 4.170 -0.000 0.000 0.284 298 I C 0.663 176.807 176.117 0.046 0.000 1.134 298 I CA -0.012 61.320 61.300 0.055 0.000 1.410 298 I CB 0.393 38.408 38.000 0.025 0.000 1.392 298 I HN 0.214 nan 8.210 nan 0.000 0.545 299 K N 7.155 127.583 120.400 0.047 0.000 2.448 299 K HA -0.043 4.277 4.320 -0.000 0.000 0.278 299 K C 0.615 177.235 176.600 0.034 0.000 1.009 299 K CA 0.128 56.438 56.287 0.037 0.000 0.995 299 K CB 0.302 32.821 32.500 0.032 0.000 0.917 299 K HN 0.706 nan 8.250 nan 0.000 0.481 300 N N 0.651 119.370 118.700 0.032 0.000 2.828 300 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 300 N C 0.067 175.595 175.510 0.029 0.000 1.044 300 N CA 1.220 54.288 53.050 0.029 0.000 0.851 300 N CB -1.377 37.127 38.487 0.027 0.000 1.136 300 N HN 0.797 nan 8.380 nan 0.000 0.572 301 G N 1.021 109.837 108.800 0.026 0.000 2.599 301 G HA2 0.437 4.397 3.960 -0.000 0.000 0.264 301 G HA3 0.437 4.397 3.960 -0.000 0.000 0.264 301 G C -2.103 172.823 174.900 0.044 0.000 1.200 301 G CA -0.592 44.510 45.100 0.003 0.000 0.896 301 G HN 0.002 nan 8.290 nan 0.000 0.536 302 P HA 0.148 nan 4.420 nan 0.000 0.266 302 P C -0.379 177.056 177.300 0.226 0.000 1.195 302 P CA 0.052 63.261 63.100 0.182 0.000 0.768 302 P CB 1.760 33.612 31.700 0.253 0.000 0.838 303 K N 1.547 122.117 120.400 0.284 0.000 3.959 303 K HA 0.079 4.399 4.320 -0.000 0.000 0.251 303 K C 2.075 178.904 176.600 0.381 0.000 1.293 303 K CA 0.731 57.203 56.287 0.309 0.000 1.563 303 K CB -1.155 31.430 32.500 0.142 0.000 2.393 303 K HN 0.496 nan 8.250 nan 0.000 0.488 304 S N 1.067 116.986 115.700 0.366 0.000 2.465 304 S HA -0.159 4.311 4.470 -0.000 0.000 0.241 304 S C 1.690 176.582 174.600 0.486 0.000 1.000 304 S CA 1.400 59.935 58.200 0.559 0.000 0.964 304 S CB -0.394 63.064 63.200 0.429 0.000 0.763 304 S HN 0.296 nan 8.310 nan 0.000 0.512 305 H N 0.373 119.601 119.070 0.263 0.000 2.547 305 H HA 0.300 4.856 4.556 -0.000 0.000 0.272 305 H C 1.623 177.093 175.328 0.237 0.000 0.989 305 H CA 0.325 56.481 56.048 0.181 0.000 1.214 305 H CB -0.388 29.458 29.762 0.140 0.000 1.389 305 H HN 0.379 nan 8.280 nan 0.000 0.577 306 I N 0.154 121.002 120.570 0.463 0.000 2.145 306 I HA -0.233 3.937 4.170 -0.000 0.000 0.244 306 I C 2.488 178.814 176.117 0.349 0.000 1.075 306 I CA 1.728 63.300 61.300 0.453 0.000 1.332 306 I CB -0.890 37.439 38.000 0.549 0.000 1.033 306 I HN 0.343 nan 8.210 nan 0.000 0.410 307 G N -0.256 108.742 108.800 0.330 0.000 2.513 307 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.219 307 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.219 307 G C 1.929 176.878 174.900 0.081 0.000 1.160 307 G CA 1.132 46.337 45.100 0.175 0.000 0.767 307 G HN 0.409 nan 8.290 nan 0.000 0.571 308 R N -0.434 120.015 120.500 -0.085 0.000 2.083 308 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 308 R C 2.441 178.671 176.300 -0.116 0.000 1.137 308 R CA 1.926 57.893 56.100 -0.222 0.000 0.951 308 R CB -0.405 29.568 30.300 -0.544 0.000 0.851 308 R HN 0.618 nan 8.270 nan 0.000 0.434 309 H N -0.309 118.776 119.070 0.025 0.000 2.389 309 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 309 H C 2.049 177.419 175.328 0.070 0.000 1.081 309 H CA 1.652 57.729 56.048 0.049 0.000 1.345 309 H CB 0.004 29.790 29.762 0.039 0.000 1.393 309 H HN 0.143 nan 8.280 nan 0.000 0.520 310 L N -0.503 120.857 121.223 0.228 0.000 1.970 310 L HA -0.227 4.112 4.340 -0.000 0.000 0.212 310 L C 2.491 179.528 176.870 0.279 0.000 1.071 310 L CA 1.278 56.242 54.840 0.207 0.000 0.751 310 L CB -0.299 41.866 42.059 0.177 0.000 0.889 310 L HN 0.327 nan 8.230 nan 0.000 0.432 311 M N -0.372 119.392 119.600 0.273 0.000 2.117 311 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 311 M C 2.235 178.626 176.300 0.152 0.000 1.065 311 M CA 2.037 57.430 55.300 0.154 0.000 1.114 311 M CB -0.703 31.804 32.600 -0.155 0.000 1.361 311 M HN 0.089 nan 8.290 nan 0.000 0.408 312 T N -0.030 114.584 114.554 0.099 0.000 2.720 312 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 312 T C 1.905 176.644 174.700 0.064 0.000 1.037 312 T CA 1.933 64.074 62.100 0.068 0.000 1.144 312 T CB -0.404 68.511 68.868 0.077 0.000 0.864 312 T HN 0.462 nan 8.240 nan 0.000 0.444 313 S N 0.914 116.681 115.700 0.110 0.000 2.355 313 S HA -0.026 4.444 4.470 -0.000 0.000 0.222 313 S C 1.632 176.307 174.600 0.124 0.000 1.031 313 S CA 0.784 59.040 58.200 0.093 0.000 0.993 313 S CB -0.534 62.723 63.200 0.094 0.000 0.859 313 S HN 0.490 nan 8.310 nan 0.000 0.453 314 F N 2.706 122.673 119.950 0.029 0.000 2.063 314 F HA -0.164 4.362 4.527 -0.000 0.000 0.298 314 F C 1.798 177.600 175.800 0.003 0.000 1.109 314 F CA 1.341 59.357 58.000 0.027 0.000 1.212 314 F CB -0.721 38.308 39.000 0.049 0.000 0.973 314 F HN 0.103 nan 8.300 nan 0.000 0.480 315 L N -0.706 120.410 121.223 -0.179 0.000 2.046 315 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 315 L C 2.801 179.531 176.870 -0.233 0.000 1.077 315 L CA 1.565 56.218 54.840 -0.313 0.000 0.747 315 L CB -1.082 40.886 42.059 -0.152 0.000 0.896 315 L HN 0.297 nan 8.230 nan 0.000 0.432 316 S N -0.154 115.469 115.700 -0.129 0.000 2.356 316 S HA -0.250 4.220 4.470 -0.000 0.000 0.223 316 S C 2.104 176.650 174.600 -0.090 0.000 1.032 316 S CA 1.400 59.543 58.200 -0.096 0.000 1.005 316 S CB -0.210 62.955 63.200 -0.059 0.000 0.867 316 S HN 0.345 nan 8.310 nan 0.000 0.449 317 M N 0.885 120.437 119.600 -0.080 0.000 2.080 317 M HA -0.061 4.419 4.480 -0.000 0.000 0.260 317 M C 1.489 177.739 176.300 -0.082 0.000 1.068 317 M CA 1.723 56.992 55.300 -0.051 0.000 1.109 317 M CB -0.679 31.925 32.600 0.006 0.000 1.342 317 M HN 0.194 nan 8.290 nan 0.000 0.405 318 K N 0.419 120.699 120.400 -0.199 0.000 2.555 318 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 318 K C 0.691 177.240 176.600 -0.086 0.000 1.032 318 K CA 0.834 57.014 56.287 -0.178 0.000 1.004 318 K CB -0.755 31.492 32.500 -0.422 0.000 0.804 318 K HN 0.702 nan 8.250 nan 0.000 0.496 319 G N 1.797 110.538 108.800 -0.098 0.000 2.351 319 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.297 319 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.297 319 G C 0.094 174.949 174.900 -0.076 0.000 1.054 319 G CA -0.021 45.047 45.100 -0.053 0.000 1.123 319 G HN 0.343 nan 8.290 nan 0.000 0.512 320 L N 0.553 121.682 121.223 -0.156 0.000 3.313 320 L HA 0.169 4.509 4.340 -0.000 0.000 0.320 320 L C 2.189 178.967 176.870 -0.154 0.000 1.304 320 L CA 0.327 55.052 54.840 -0.192 0.000 0.920 320 L CB 0.244 42.105 42.059 -0.330 0.000 1.357 320 L HN 0.468 nan 8.230 nan 0.000 0.602 321 T N -3.361 111.121 114.554 -0.120 0.000 2.869 321 T HA -0.236 4.114 4.350 -0.000 0.000 0.270 321 T C 1.468 176.102 174.700 -0.111 0.000 1.082 321 T CA 1.588 63.618 62.100 -0.117 0.000 1.123 321 T CB -0.153 68.653 68.868 -0.103 0.000 0.856 321 T HN 0.658 nan 8.240 nan 0.000 0.499 322 E N 1.320 121.464 120.200 -0.093 0.000 2.204 322 E HA -0.090 4.259 4.350 -0.000 0.000 0.195 322 E C 2.150 178.692 176.600 -0.098 0.000 0.990 322 E CA 0.911 57.265 56.400 -0.077 0.000 0.821 322 E CB -0.599 29.072 29.700 -0.049 0.000 0.750 322 E HN 0.504 nan 8.360 nan 0.000 0.477 323 L N 0.999 122.144 121.223 -0.130 0.000 2.162 323 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 323 L C 2.505 179.265 176.870 -0.183 0.000 1.086 323 L CA 1.151 55.882 54.840 -0.182 0.000 0.778 323 L CB -0.585 41.339 42.059 -0.224 0.000 0.928 323 L HN 0.161 nan 8.230 nan 0.000 0.446 324 T N 0.315 114.782 114.554 -0.144 0.000 2.594 324 T HA -0.260 4.090 4.350 -0.000 0.000 0.266 324 T C 1.687 176.380 174.700 -0.013 0.000 1.070 324 T CA 2.040 64.079 62.100 -0.102 0.000 1.166 324 T CB -0.375 68.410 68.868 -0.138 0.000 0.862 324 T HN 0.362 nan 8.240 nan 0.000 0.436 325 N N 0.745 119.424 118.700 -0.034 0.000 2.043 325 N HA -0.106 4.633 4.740 -0.000 0.000 0.193 325 N C 2.077 177.615 175.510 0.047 0.000 1.037 325 N CA 1.485 54.580 53.050 0.076 0.000 0.851 325 N CB -0.712 37.772 38.487 -0.006 0.000 1.027 325 N HN 0.299 nan 8.380 nan 0.000 0.422 326 V N 1.158 121.031 119.914 -0.069 0.000 2.295 326 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 326 V C 2.594 178.571 176.094 -0.194 0.000 1.049 326 V CA 1.308 63.532 62.300 -0.125 0.000 1.024 326 V CB -0.778 30.946 31.823 -0.165 0.000 0.648 326 V HN 0.044 nan 8.190 nan 0.000 0.447 327 V N 1.162 120.900 119.914 -0.293 0.000 2.358 327 V HA -0.110 4.010 4.120 -0.000 0.000 0.246 327 V C 2.489 178.415 176.094 -0.280 0.000 1.047 327 V CA 2.152 64.194 62.300 -0.430 0.000 1.035 327 V CB -1.176 30.234 31.823 -0.688 0.000 0.658 327 V HN 0.626 nan 8.190 nan 0.000 0.452 328 G N -0.464 108.250 108.800 -0.143 0.000 2.920 328 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.208 328 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.208 328 G C 0.675 175.319 174.900 -0.426 0.000 1.159 328 G CA 0.507 45.459 45.100 -0.245 0.000 0.784 328 G HN 0.624 nan 8.290 nan 0.000 0.535 329 N N -1.050 117.518 118.700 -0.221 0.000 2.714 329 N HA -0.197 4.543 4.740 -0.000 0.000 0.253 329 N C -0.921 174.448 175.510 -0.236 0.000 1.024 329 N CA 0.232 53.160 53.050 -0.204 0.000 0.726 329 N CB -1.982 36.365 38.487 -0.234 0.000 0.908 329 N HN 0.201 nan 8.380 nan 0.000 0.542 330 F N 0.666 120.554 119.950 -0.102 0.000 2.411 330 F HA 0.366 4.893 4.527 -0.000 0.000 0.350 330 F C 1.416 177.177 175.800 -0.066 0.000 1.114 330 F CA -0.465 57.489 58.000 -0.077 0.000 1.135 330 F CB 1.182 40.138 39.000 -0.074 0.000 1.120 330 F HN -0.043 nan 8.300 nan 0.000 0.495 331 S N 2.274 118.038 115.700 0.107 0.000 2.563 331 S HA -0.016 4.454 4.470 -0.000 0.000 0.284 331 S C -0.102 174.532 174.600 0.057 0.000 1.331 331 S CA -0.459 57.772 58.200 0.051 0.000 1.047 331 S CB 0.431 63.650 63.200 0.032 0.000 0.859 331 S HN 0.545 nan 8.310 nan 0.000 0.514 342 T N -0.746 113.846 114.554 0.062 0.000 2.778 342 T HA 0.574 4.924 4.350 -0.000 0.000 0.293 342 T C -1.447 173.346 174.700 0.155 0.000 1.144 342 T CA -0.645 61.511 62.100 0.094 0.000 1.010 342 T CB 1.238 70.151 68.868 0.075 0.000 1.325 342 T HN 0.655 nan 8.240 nan 0.000 0.515 343 Y N 1.106 121.416 120.300 0.017 0.000 2.907 343 Y HA 0.520 5.070 4.550 -0.000 0.000 0.332 343 Y C -0.562 175.356 175.900 0.030 0.000 1.211 343 Y CA -0.146 57.966 58.100 0.020 0.000 1.387 343 Y CB -0.068 38.401 38.460 0.015 0.000 1.396 343 Y HN 0.782 nan 8.280 nan 0.000 0.519 344 T N 2.715 117.246 114.554 -0.038 0.000 2.916 344 T HA 0.066 4.416 4.350 -0.000 0.000 0.298 344 T C -1.400 173.287 174.700 -0.020 0.000 1.031 344 T CA -0.658 61.424 62.100 -0.030 0.000 0.993 344 T CB 0.606 69.486 68.868 0.021 0.000 1.045 344 T HN 0.373 nan 8.240 nan 0.000 0.454 345 H N 2.826 121.822 119.070 -0.124 0.000 3.226 345 H HA 0.094 4.649 4.556 -0.000 0.000 0.260 345 H C 0.399 175.676 175.328 -0.086 0.000 0.967 345 H CA 0.082 56.062 56.048 -0.113 0.000 1.435 345 H CB 0.127 29.832 29.762 -0.094 0.000 1.533 345 H HN 0.516 nan 8.280 nan 0.000 0.525 346 Q N 5.559 125.339 119.800 -0.034 0.000 2.281 346 Q HA 0.335 4.675 4.340 -0.000 0.000 0.267 346 Q C -0.896 174.941 176.000 -0.273 0.000 1.053 346 Q CA -0.051 55.678 55.803 -0.123 0.000 0.905 346 Q CB 0.053 28.756 28.738 -0.058 0.000 1.195 346 Q HN 0.724 nan 8.270 nan 0.000 0.398 347 I N 3.688 124.092 120.570 -0.278 0.000 2.571 347 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 347 I C -0.734 175.278 176.117 -0.175 0.000 1.134 347 I CA -0.717 60.386 61.300 -0.329 0.000 1.052 347 I CB 2.299 39.978 38.000 -0.534 0.000 1.237 347 I HN 0.460 nan 8.210 nan 0.000 0.435 348 T N 4.670 119.145 114.554 -0.131 0.000 2.845 348 T HA 0.685 5.035 4.350 -0.000 0.000 0.288 348 T C 0.306 174.997 174.700 -0.015 0.000 0.980 348 T CA -0.396 61.669 62.100 -0.060 0.000 1.071 348 T CB 1.664 70.498 68.868 -0.058 0.000 0.941 348 T HN 0.660 nan 8.240 nan 0.000 0.487 349 A N 2.932 125.783 122.820 0.052 0.000 2.248 349 A HA 0.798 5.118 4.320 -0.000 0.000 0.316 349 A C -0.065 177.537 177.584 0.030 0.000 1.101 349 A CA -0.878 51.242 52.037 0.138 0.000 0.875 349 A CB 0.360 19.476 19.000 0.193 0.000 1.207 349 A HN 0.853 nan 8.150 nan 0.000 0.504 350 I N 1.060 121.645 120.570 0.024 0.000 2.365 350 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 350 I C -2.123 173.960 176.117 -0.057 0.000 1.004 350 I CA -1.801 59.403 61.300 -0.160 0.000 1.311 350 I CB 1.154 38.892 38.000 -0.435 0.000 1.401 350 I HN 0.382 nan 8.210 nan 0.000 0.491 351 P HA 0.008 nan 4.420 nan 0.000 0.266 351 P C -0.010 177.294 177.300 0.006 0.000 1.193 351 P CA 0.046 63.119 63.100 -0.046 0.000 0.770 351 P CB 0.602 32.240 31.700 -0.103 0.000 0.836 352 D N 0.804 121.297 120.400 0.156 0.000 2.133 352 D HA -0.236 4.404 4.640 -0.000 0.000 0.192 352 D C 1.722 178.122 176.300 0.166 0.000 1.001 352 D CA 1.517 55.660 54.000 0.237 0.000 0.844 352 D CB -0.464 40.507 40.800 0.285 0.000 0.944 352 D HN 0.612 nan 8.370 nan 0.000 0.447 353 H N -0.888 118.165 119.070 -0.029 0.000 2.456 353 H HA -0.168 4.388 4.556 -0.000 0.000 0.296 353 H C 2.102 177.208 175.328 -0.370 0.000 1.079 353 H CA 1.183 56.980 56.048 -0.418 0.000 1.322 353 H CB -1.190 28.378 29.762 -0.323 0.000 1.388 353 H HN 0.340 nan 8.280 nan 0.000 0.538 354 Y N 2.214 122.035 120.300 -0.797 0.000 2.081 354 Y HA -0.262 4.288 4.550 -0.000 0.000 0.280 354 Y C 1.952 177.436 175.900 -0.694 0.000 1.163 354 Y CA 2.100 59.724 58.100 -0.793 0.000 1.135 354 Y CB -0.959 36.904 38.460 -0.994 0.000 0.970 354 Y HN 0.038 nan 8.280 nan 0.000 0.498 355 F N 0.149 119.734 119.950 -0.609 0.000 2.216 355 F HA -0.124 4.403 4.527 0.000 0.000 0.300 355 F C 2.635 178.071 175.800 -0.606 0.000 1.085 355 F CA 1.013 58.498 58.000 -0.858 0.000 1.326 355 F CB -1.206 37.293 39.000 -0.834 0.000 1.027 355 F HN 0.183 nan 8.300 nan 0.000 0.497 356 A N 0.414 123.021 122.820 -0.354 0.000 1.865 356 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 356 A C 2.125 179.648 177.584 -0.102 0.000 1.191 356 A CA 1.840 53.656 52.037 -0.368 0.000 0.623 356 A CB -1.141 17.189 19.000 -1.116 0.000 0.826 356 A HN 0.328 nan 8.150 nan 0.000 0.444 357 L N 0.071 121.169 121.223 -0.207 0.000 1.943 357 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 357 L C 2.418 179.328 176.870 0.067 0.000 1.074 357 L CA 2.334 57.158 54.840 -0.027 0.000 0.759 357 L CB -0.778 41.225 42.059 -0.094 0.000 0.888 357 L HN 0.178 nan 8.230 nan 0.000 0.433 358 V N 0.176 120.009 119.914 -0.134 0.000 2.527 358 V HA -0.299 3.821 4.120 -0.000 0.000 0.255 358 V C 2.700 179.058 176.094 0.440 0.000 1.081 358 V CA 1.747 64.110 62.300 0.105 0.000 1.092 358 V CB -1.416 30.251 31.823 -0.261 0.000 0.673 358 V HN 0.774 nan 8.190 nan 0.000 0.470 359 S N -0.390 115.506 115.700 0.326 0.000 2.453 359 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 359 S C 1.315 176.022 174.600 0.179 0.000 1.005 359 S CA 0.765 59.263 58.200 0.496 0.000 0.949 359 S CB -0.217 63.337 63.200 0.590 0.000 0.774 359 S HN 0.650 nan 8.310 nan 0.000 0.510 360 R N -1.875 118.703 120.500 0.131 0.000 3.840 360 R HA -0.197 4.142 4.340 -0.000 0.000 0.464 360 R C 0.077 176.338 176.300 -0.065 0.000 0.986 360 R CA 1.401 57.470 56.100 -0.052 0.000 1.305 360 R CB -2.538 27.544 30.300 -0.363 0.000 1.950 360 R HN 0.568 nan 8.270 nan 0.000 0.526 361 Y N -0.783 119.595 120.300 0.130 0.000 2.546 361 Y HA 0.125 4.676 4.550 0.001 0.000 0.287 361 Y C 0.688 176.457 175.900 -0.218 0.000 1.158 361 Y CA 0.586 58.681 58.100 -0.009 0.000 1.307 361 Y CB 0.337 38.827 38.460 0.050 0.000 1.036 361 Y HN 0.076 nan 8.280 nan 0.000 0.532 362 Y N -1.355 119.052 120.300 0.178 0.000 2.669 362 Y HA 0.717 5.266 4.550 -0.001 0.000 0.335 362 Y C -0.408 175.556 175.900 0.105 0.000 1.116 362 Y CA -2.166 56.012 58.100 0.129 0.000 1.081 362 Y CB 1.133 39.645 38.460 0.087 0.000 1.297 362 Y HN -0.280 nan 8.280 nan 0.000 0.484 363 A N 0.283 123.275 122.820 0.285 0.000 2.435 363 A HA 0.621 4.941 4.320 -0.000 0.000 0.304 363 A C -2.347 175.379 177.584 0.236 0.000 1.064 363 A CA -0.679 51.490 52.037 0.221 0.000 0.727 363 A CB 0.906 19.996 19.000 0.150 0.000 1.284 363 A HN 0.628 nan 8.150 nan 0.000 0.415 364 Y N 1.749 122.097 120.300 0.080 0.000 2.350 364 Y HA 0.444 4.994 4.550 -0.000 0.000 0.340 364 Y C -0.306 175.614 175.900 0.033 0.000 1.006 364 Y CA -0.761 57.362 58.100 0.040 0.000 1.166 364 Y CB 0.956 39.423 38.460 0.012 0.000 1.168 364 Y HN 0.662 nan 8.280 nan 0.000 0.502 365 D N 8.671 128.797 120.400 -0.458 0.000 2.396 365 D HA 0.298 4.938 4.640 -0.000 0.000 0.225 365 D C -2.184 173.698 176.300 -0.697 0.000 1.121 365 D CA -2.657 51.099 54.000 -0.407 0.000 0.853 365 D CB 1.842 42.524 40.800 -0.197 0.000 1.043 365 D HN 0.319 nan 8.370 nan 0.000 0.500 366 P HA -0.083 nan 4.420 nan 0.000 0.216 366 P C 1.706 178.871 177.300 -0.225 0.000 1.150 366 P CA 0.573 63.440 63.100 -0.389 0.000 0.837 366 P CB 0.388 31.994 31.700 -0.156 0.000 0.786 367 I N -0.604 119.863 120.570 -0.172 0.000 2.226 367 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 367 I C 1.932 177.990 176.117 -0.098 0.000 1.100 367 I CA 2.087 63.324 61.300 -0.104 0.000 1.374 367 I CB -0.019 37.936 38.000 -0.074 0.000 1.057 367 I HN 0.053 nan 8.210 nan 0.000 0.413 368 S N -1.163 114.461 115.700 -0.126 0.000 2.506 368 S HA 0.109 4.579 4.470 -0.000 0.000 0.219 368 S C 1.028 175.572 174.600 -0.094 0.000 1.031 368 S CA -0.080 58.067 58.200 -0.087 0.000 0.911 368 S CB 0.303 63.466 63.200 -0.062 0.000 0.812 368 S HN 0.427 nan 8.310 nan 0.000 0.497 369 K N 0.515 120.802 120.400 -0.189 0.000 3.399 369 K HA -0.118 4.202 4.320 -0.000 0.000 0.298 369 K C -0.831 175.772 176.600 0.005 0.000 1.326 369 K CA 0.877 57.096 56.287 -0.114 0.000 0.874 369 K CB -1.744 30.771 32.500 0.026 0.000 1.403 369 K HN 0.654 nan 8.250 nan 0.000 0.492 370 E N 0.270 120.442 120.200 -0.047 0.000 2.232 370 E HA 0.436 4.786 4.350 -0.000 0.000 0.264 370 E C -0.022 176.632 176.600 0.091 0.000 0.973 370 E CA -1.023 55.401 56.400 0.041 0.000 0.849 370 E CB 0.830 30.558 29.700 0.046 0.000 1.198 370 E HN -0.061 nan 8.360 nan 0.000 0.407 371 M N 2.041 121.724 119.600 0.138 0.000 2.113 371 M HA 0.331 4.811 4.480 -0.000 0.000 0.352 371 M C -0.757 175.720 176.300 0.295 0.000 1.170 371 M CA -0.582 54.808 55.300 0.149 0.000 1.053 371 M CB 0.410 32.896 32.600 -0.191 0.000 1.601 371 M HN 0.345 nan 8.290 nan 0.000 0.459 372 I N 2.866 123.612 120.570 0.294 0.000 2.354 372 I HA 0.432 4.602 4.170 -0.000 0.000 0.286 372 I C 0.634 176.914 176.117 0.273 0.000 1.007 372 I CA -1.042 60.420 61.300 0.271 0.000 1.167 372 I CB 0.490 38.572 38.000 0.137 0.000 1.320 372 I HN 0.685 nan 8.210 nan 0.000 0.458 373 A N 7.567 130.515 122.820 0.213 0.000 2.483 373 A HA 0.440 4.760 4.320 -0.000 0.000 0.238 373 A C 0.180 177.718 177.584 -0.077 0.000 1.070 373 A CA -0.212 51.697 52.037 -0.215 0.000 0.770 373 A CB 0.253 19.044 19.000 -0.349 0.000 1.008 373 A HN 0.717 nan 8.150 nan 0.000 0.497 374 L N 2.116 123.278 121.223 -0.102 0.000 2.305 374 L HA 0.207 4.547 4.340 -0.000 0.000 0.281 374 L C 1.486 178.343 176.870 -0.022 0.000 1.085 374 L CA -0.497 54.325 54.840 -0.030 0.000 0.813 374 L CB 1.087 43.133 42.059 -0.022 0.000 1.157 374 L HN 1.006 nan 8.230 nan 0.000 0.436 375 K N 0.440 120.839 120.400 -0.001 0.000 2.642 375 K HA -0.148 4.172 4.320 -0.000 0.000 0.194 375 K C 0.174 176.782 176.600 0.012 0.000 1.039 375 K CA 0.344 56.635 56.287 0.007 0.000 0.947 375 K CB -0.415 32.093 32.500 0.013 0.000 0.784 375 K HN 0.559 nan 8.250 nan 0.000 0.491 376 D N 1.956 122.363 120.400 0.011 0.000 2.488 376 D HA -0.055 4.585 4.640 -0.000 0.000 0.238 376 D C 0.557 176.880 176.300 0.038 0.000 1.138 376 D CA 0.153 54.166 54.000 0.023 0.000 0.873 376 D CB 0.851 41.665 40.800 0.022 0.000 1.183 376 D HN 0.223 nan 8.370 nan 0.000 0.458 377 E N 1.414 121.638 120.200 0.040 0.000 2.063 377 E HA -0.198 4.152 4.350 -0.000 0.000 0.221 377 E C 0.391 177.027 176.600 0.061 0.000 1.052 377 E CA 1.295 57.723 56.400 0.046 0.000 0.891 377 E CB -0.417 29.311 29.700 0.046 0.000 0.792 377 E HN 0.528 nan 8.360 nan 0.000 0.482 378 T N 2.407 117.013 114.554 0.086 0.000 2.778 378 T HA -0.027 4.323 4.350 -0.000 0.000 0.282 378 T C 0.148 174.916 174.700 0.115 0.000 0.983 378 T CA 0.128 62.294 62.100 0.111 0.000 1.193 378 T CB -0.071 68.893 68.868 0.160 0.000 0.938 378 T HN 0.148 nan 8.240 nan 0.000 0.523 379 N N 5.345 124.073 118.700 0.046 0.000 2.444 379 N HA 0.169 4.909 4.740 -0.000 0.000 0.262 379 N C -1.439 174.034 175.510 -0.062 0.000 0.974 379 N CA -2.385 50.657 53.050 -0.012 0.000 0.933 379 N CB 2.036 40.522 38.487 -0.002 0.000 1.137 379 N HN 0.200 nan 8.380 nan 0.000 0.498 380 P HA -0.188 nan 4.420 nan 0.000 0.216 380 P C 1.713 179.023 177.300 0.017 0.000 1.157 380 P CA 1.171 64.136 63.100 -0.226 0.000 0.880 380 P CB 0.529 31.841 31.700 -0.646 0.000 0.791 381 I N 0.287 120.888 120.570 0.051 0.000 2.145 381 I HA -0.268 3.902 4.170 -0.000 0.000 0.244 381 I C 2.619 178.832 176.117 0.161 0.000 1.075 381 I CA 1.838 63.235 61.300 0.162 0.000 1.332 381 I CB -0.805 37.276 38.000 0.135 0.000 1.033 381 I HN 0.030 nan 8.210 nan 0.000 0.410 382 E N 0.186 120.404 120.200 0.029 0.000 2.153 382 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 382 E C 2.061 178.524 176.600 -0.228 0.000 0.988 382 E CA 1.092 57.425 56.400 -0.111 0.000 0.811 382 E CB -0.109 29.502 29.700 -0.148 0.000 0.746 382 E HN 0.500 nan 8.360 nan 0.000 0.466 383 E N 0.008 120.173 120.200 -0.059 0.000 2.152 383 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 383 E C 1.719 178.426 176.600 0.179 0.000 0.983 383 E CA 0.650 57.061 56.400 0.017 0.000 0.818 383 E CB -0.056 29.718 29.700 0.124 0.000 0.758 383 E HN 0.312 nan 8.360 nan 0.000 0.467 384 W N 1.851 123.205 121.300 0.089 0.000 2.358 384 W HA -0.174 4.488 4.660 0.002 0.000 0.303 384 W C 1.805 178.399 176.519 0.125 0.000 1.208 384 W CA 1.647 59.094 57.345 0.170 0.000 1.274 384 W CB -0.266 29.268 29.460 0.124 0.000 1.138 384 W HN 0.063 nan 8.180 nan 0.000 0.515 385 Q N -1.025 118.630 119.800 -0.241 0.000 2.084 385 Q HA -0.258 4.081 4.340 -0.000 0.000 0.202 385 Q C 2.048 177.948 176.000 -0.167 0.000 0.978 385 Q CA 2.139 57.684 55.803 -0.431 0.000 0.844 385 Q CB -0.843 27.748 28.738 -0.245 0.000 0.898 385 Q HN 0.566 nan 8.270 nan 0.000 0.426 386 H N 0.058 119.068 119.070 -0.101 0.000 2.387 386 H HA -0.092 4.463 4.556 -0.001 0.000 0.299 386 H C 2.090 177.383 175.328 -0.059 0.000 1.090 386 H CA 0.939 56.950 56.048 -0.062 0.000 1.332 386 H CB 0.093 29.843 29.762 -0.019 0.000 1.386 386 H HN 0.203 nan 8.280 nan 0.000 0.516 387 I N 0.468 121.104 120.570 0.109 0.000 2.286 387 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 387 I C 2.591 178.736 176.117 0.047 0.000 1.104 387 I CA 1.013 62.383 61.300 0.116 0.000 1.397 387 I CB -0.217 37.944 38.000 0.268 0.000 1.072 387 I HN 0.335 nan 8.210 nan 0.000 0.417 388 E N 0.781 120.898 120.200 -0.137 0.000 2.160 388 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 388 E C 2.125 178.657 176.600 -0.113 0.000 0.991 388 E CA 1.120 57.396 56.400 -0.206 0.000 0.810 388 E CB 0.196 29.494 29.700 -0.670 0.000 0.742 388 E HN 0.424 nan 8.360 nan 0.000 0.466 389 Q N 0.349 120.086 119.800 -0.104 0.000 1.967 389 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 389 Q C 0.961 176.950 176.000 -0.019 0.000 0.985 389 Q CA 0.711 56.479 55.803 -0.058 0.000 0.839 389 Q CB -0.783 27.930 28.738 -0.041 0.000 0.906 389 Q HN 0.226 nan 8.270 nan 0.000 0.423 390 L N 1.530 122.754 121.223 0.001 0.000 2.281 390 L HA 0.172 4.512 4.340 -0.000 0.000 0.285 390 L C -0.043 176.852 176.870 0.041 0.000 1.074 390 L CA 0.495 55.346 54.840 0.020 0.000 0.817 390 L CB 0.397 42.474 42.059 0.029 0.000 1.168 390 L HN 0.071 nan 8.230 nan 0.000 0.434 391 K N 2.475 122.898 120.400 0.038 0.000 1.776 391 K HA 0.724 5.044 4.320 -0.000 0.000 0.262 391 K C 0.779 177.402 176.600 0.038 0.000 0.971 391 K CA -0.548 55.769 56.287 0.050 0.000 0.943 391 K CB 0.183 32.713 32.500 0.050 0.000 2.334 391 K HN 0.528 nan 8.250 nan 0.000 0.894 392 G N 0.504 109.325 108.800 0.034 0.000 2.382 392 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.259 392 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.259 392 G C 0.064 174.972 174.900 0.013 0.000 1.009 392 G CA 0.922 46.035 45.100 0.023 0.000 0.625 392 G HN 0.347 nan 8.290 nan 0.000 0.541 393 S N 1.420 117.128 115.700 0.014 0.000 3.940 393 S HA 0.568 5.038 4.470 -0.000 0.000 0.210 393 S C 1.063 175.668 174.600 0.009 0.000 1.419 393 S CA 0.456 58.650 58.200 -0.011 0.000 0.912 393 S CB 0.955 64.141 63.200 -0.024 0.000 1.489 393 S HN 1.321 nan 8.310 nan 0.000 0.469 394 A N 1.616 124.441 122.820 0.008 0.000 2.358 394 A HA 0.035 4.355 4.320 -0.000 0.000 0.232 394 A C 1.428 179.013 177.584 0.002 0.000 1.498 394 A CA 0.034 52.082 52.037 0.018 0.000 1.400 394 A CB -0.569 18.441 19.000 0.017 0.000 0.852 394 A HN 0.717 nan 8.150 nan 0.000 0.605 395 E N -0.369 119.826 120.200 -0.007 0.000 2.516 395 E HA -0.068 4.282 4.350 -0.000 0.000 0.199 395 E C 1.895 178.461 176.600 -0.056 0.000 1.069 395 E CA 0.540 56.919 56.400 -0.036 0.000 0.876 395 E CB -0.060 29.625 29.700 -0.024 0.000 0.843 395 E HN 0.705 nan 8.360 nan 0.000 0.530 396 G N 0.516 109.315 108.800 -0.001 0.000 2.394 396 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.214 396 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.214 396 G C 1.618 176.540 174.900 0.037 0.000 1.176 396 G CA 0.803 45.926 45.100 0.038 0.000 0.786 396 G HN 0.380 nan 8.290 nan 0.000 0.533 397 S N 0.372 116.096 115.700 0.040 0.000 2.507 397 S HA 0.059 4.529 4.470 -0.000 0.000 0.235 397 S C 2.077 176.669 174.600 -0.013 0.000 0.988 397 S CA 0.781 59.004 58.200 0.038 0.000 0.944 397 S CB -0.224 62.994 63.200 0.029 0.000 0.762 397 S HN 0.397 nan 8.310 nan 0.000 0.526 398 I N 0.490 121.023 120.570 -0.062 0.000 3.035 398 I HA 0.169 4.339 4.170 -0.000 0.000 0.271 398 I C 2.789 178.811 176.117 -0.158 0.000 1.190 398 I CA 0.336 61.582 61.300 -0.090 0.000 1.472 398 I CB -0.143 37.804 38.000 -0.087 0.000 1.116 398 I HN 0.210 nan 8.210 nan 0.000 0.443 399 R N 0.882 121.212 120.500 -0.285 0.000 2.127 399 R HA -0.035 4.305 4.340 -0.000 0.000 0.217 399 R C 0.179 176.120 176.300 -0.597 0.000 1.074 399 R CA 0.955 56.735 56.100 -0.532 0.000 0.991 399 R CB 0.267 30.054 30.300 -0.856 0.000 0.895 399 R HN 0.297 nan 8.270 nan 0.000 0.450 400 Y N 0.486 120.772 120.300 -0.024 0.000 2.553 400 Y HA 0.323 4.873 4.550 -0.000 0.000 0.369 400 Y C -1.752 174.163 175.900 0.024 0.000 0.964 400 Y CA -2.309 55.805 58.100 0.023 0.000 1.156 400 Y CB 1.309 39.779 38.460 0.018 0.000 1.218 400 Y HN 0.110 nan 8.280 nan 0.000 0.630 401 P HA -0.291 nan 4.420 nan 0.000 0.216 401 P C 1.486 178.737 177.300 -0.082 0.000 1.153 401 P CA 2.037 65.127 63.100 -0.016 0.000 0.858 401 P CB 0.368 32.037 31.700 -0.051 0.000 0.789 402 A N -1.415 121.302 122.820 -0.172 0.000 2.070 402 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 402 A C 1.677 178.837 177.584 -0.708 0.000 1.159 402 A CA 1.041 52.799 52.037 -0.466 0.000 0.656 402 A CB -1.588 17.030 19.000 -0.636 0.000 0.800 402 A HN 0.282 nan 8.150 nan 0.000 0.453 403 W N -0.749 120.453 121.300 -0.163 0.000 3.220 403 W HA 0.289 4.948 4.660 -0.000 0.000 0.328 403 W C 0.539 176.975 176.519 -0.139 0.000 1.205 403 W CA -0.540 56.681 57.345 -0.207 0.000 1.773 403 W CB -0.224 29.068 29.460 -0.280 0.000 1.086 403 W HN 0.217 nan 8.180 nan 0.000 0.622 404 N N 0.872 119.601 118.700 0.048 0.000 2.454 404 N HA 0.277 5.017 4.740 -0.000 0.000 0.260 404 N C 1.250 176.764 175.510 0.006 0.000 1.218 404 N CA 2.064 55.138 53.050 0.040 0.000 0.904 404 N CB 0.692 39.190 38.487 0.018 0.000 1.065 404 N HN 0.258 nan 8.380 nan 0.000 0.462 405 G N 2.773 111.591 108.800 0.031 0.000 2.225 405 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 405 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 405 G C 0.686 175.614 174.900 0.047 0.000 0.988 405 G CA 0.480 45.600 45.100 0.032 0.000 0.625 405 G HN 0.492 nan 8.290 nan 0.000 0.527 406 I N 0.374 120.965 120.570 0.035 0.000 2.900 406 I HA 0.376 4.546 4.170 -0.000 0.000 0.251 406 I C 1.606 177.789 176.117 0.110 0.000 1.102 406 I CA 0.327 61.658 61.300 0.052 0.000 1.457 406 I CB -0.738 37.224 38.000 -0.064 0.000 1.285 406 I HN 0.110 nan 8.210 nan 0.000 0.459 407 I N 1.673 122.302 120.570 0.098 0.000 2.371 407 I HA 0.051 4.221 4.170 -0.000 0.000 0.290 407 I C 0.942 177.089 176.117 0.049 0.000 1.028 407 I CA -0.189 61.135 61.300 0.041 0.000 1.345 407 I CB 1.215 39.100 38.000 -0.191 0.000 1.407 407 I HN 0.121 nan 8.210 nan 0.000 0.501 408 S N 4.941 120.693 115.700 0.086 0.000 2.817 408 S HA -0.188 4.282 4.470 -0.000 0.000 0.333 408 S C 1.139 175.781 174.600 0.070 0.000 1.227 408 S CA 0.387 58.638 58.200 0.085 0.000 1.027 408 S CB 0.451 63.714 63.200 0.104 0.000 0.732 408 S HN 0.779 nan 8.310 nan 0.000 0.499 409 Q N 2.857 122.701 119.800 0.073 0.000 2.119 409 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 409 Q C 1.980 178.037 176.000 0.096 0.000 0.972 409 Q CA 1.825 57.675 55.803 0.078 0.000 0.847 409 Q CB -0.239 28.540 28.738 0.069 0.000 0.903 409 Q HN 0.959 nan 8.270 nan 0.000 0.433 410 E N -0.570 119.688 120.200 0.097 0.000 2.118 410 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 410 E C 1.794 178.487 176.600 0.156 0.000 0.992 410 E CA 1.418 57.890 56.400 0.119 0.000 0.804 410 E CB 0.158 29.918 29.700 0.100 0.000 0.741 410 E HN 0.307 nan 8.360 nan 0.000 0.458 411 V N 1.010 121.002 119.914 0.130 0.000 2.283 411 V HA -0.227 3.893 4.120 -0.000 0.000 0.243 411 V C 2.436 178.607 176.094 0.130 0.000 1.039 411 V CA 1.279 63.666 62.300 0.145 0.000 1.016 411 V CB -0.387 31.490 31.823 0.091 0.000 0.650 411 V HN 0.321 nan 8.190 nan 0.000 0.449 412 L N -0.043 121.220 121.223 0.066 0.000 2.079 412 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 412 L C 2.335 179.329 176.870 0.207 0.000 1.081 412 L CA 1.543 56.448 54.840 0.110 0.000 0.752 412 L CB -0.728 41.425 42.059 0.156 0.000 0.896 412 L HN 0.383 nan 8.230 nan 0.000 0.433 413 D N -1.011 119.494 120.400 0.176 0.000 2.123 413 D HA -0.211 4.429 4.640 -0.000 0.000 0.200 413 D C 1.884 178.304 176.300 0.201 0.000 0.976 413 D CA 1.142 55.241 54.000 0.166 0.000 0.831 413 D CB -0.194 40.693 40.800 0.145 0.000 0.974 413 D HN 0.305 nan 8.370 nan 0.000 0.469 414 Y N 1.645 122.029 120.300 0.139 0.000 2.114 414 Y HA -0.213 4.337 4.550 -0.001 0.000 0.284 414 Y C 2.184 178.196 175.900 0.186 0.000 1.143 414 Y CA 1.146 59.349 58.100 0.172 0.000 1.135 414 Y CB -0.684 37.875 38.460 0.165 0.000 0.980 414 Y HN -0.091 nan 8.280 nan 0.000 0.499 415 L N -0.057 121.126 121.223 -0.067 0.000 1.970 415 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 415 L C 2.814 179.700 176.870 0.026 0.000 1.071 415 L CA 2.360 57.115 54.840 -0.142 0.000 0.751 415 L CB -1.609 40.416 42.059 -0.056 0.000 0.889 415 L HN 0.429 nan 8.230 nan 0.000 0.432 416 S N -1.282 114.520 115.700 0.170 0.000 2.368 416 S HA -0.274 4.196 4.470 -0.000 0.000 0.226 416 S C 2.108 176.707 174.600 -0.001 0.000 1.044 416 S CA 1.999 60.252 58.200 0.088 0.000 1.062 416 S CB -0.526 62.702 63.200 0.047 0.000 0.931 416 S HN 0.691 nan 8.310 nan 0.000 0.440 417 S N 0.152 115.862 115.700 0.016 0.000 2.354 417 S HA -0.156 4.314 4.470 -0.000 0.000 0.219 417 S C 1.531 176.124 174.600 -0.011 0.000 1.035 417 S CA 1.602 59.810 58.200 0.015 0.000 1.037 417 S CB -1.035 62.212 63.200 0.078 0.000 0.956 417 S HN 0.720 nan 8.310 nan 0.000 0.428 418 Y N 2.317 122.505 120.300 -0.186 0.000 2.096 418 Y HA -0.283 4.266 4.550 -0.001 0.000 0.278 418 Y C 2.029 177.880 175.900 -0.083 0.000 1.192 418 Y CA 1.666 59.666 58.100 -0.166 0.000 1.143 418 Y CB -0.395 37.850 38.460 -0.358 0.000 0.963 418 Y HN 0.140 nan 8.280 nan 0.000 0.505 419 I N 0.776 121.406 120.570 0.100 0.000 2.113 419 I HA -0.337 3.833 4.170 -0.000 0.000 0.238 419 I C 2.083 178.155 176.117 -0.076 0.000 1.070 419 I CA 1.607 62.927 61.300 0.032 0.000 1.332 419 I CB -1.564 36.477 38.000 0.070 0.000 1.044 419 I HN 0.404 nan 8.210 nan 0.000 0.402 420 N N 0.669 119.290 118.700 -0.132 0.000 2.084 420 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 420 N C 1.868 177.329 175.510 -0.082 0.000 1.030 420 N CA 0.799 53.721 53.050 -0.213 0.000 0.849 420 N CB -0.462 37.585 38.487 -0.733 0.000 1.012 420 N HN 0.261 nan 8.380 nan 0.000 0.423 421 R N 1.312 121.752 120.500 -0.101 0.000 2.377 421 R HA -0.014 4.325 4.340 -0.000 0.000 0.207 421 R C 1.388 177.675 176.300 -0.022 0.000 1.075 421 R CA 0.588 56.643 56.100 -0.075 0.000 1.035 421 R CB 0.130 30.351 30.300 -0.133 0.000 0.857 421 R HN 0.120 nan 8.270 nan 0.000 0.475 422 R N 0.077 120.526 120.500 -0.086 0.000 2.076 422 R HA 0.149 4.489 4.340 -0.000 0.000 0.203 422 R C 2.324 178.595 176.300 -0.049 0.000 1.229 422 R CA 1.036 57.061 56.100 -0.124 0.000 1.094 422 R CB -0.416 29.735 30.300 -0.250 0.000 0.991 422 R HN 0.251 nan 8.270 nan 0.000 0.471 423 I N -1.524 119.012 120.570 -0.058 0.000 2.335 423 I HA 0.162 4.332 4.170 -0.000 0.000 0.251 423 I C 0.730 176.765 176.117 -0.137 0.000 1.129 423 I CA 0.981 62.228 61.300 -0.089 0.000 1.402 423 I CB -0.715 37.227 38.000 -0.096 0.000 1.069 423 I HN 0.270 nan 8.210 nan 0.000 0.424 424 G N 0.303 109.057 108.800 -0.077 0.000 2.617 424 G HA2 0.025 3.984 3.960 -0.000 0.000 0.686 424 G HA3 0.025 3.984 3.960 -0.000 0.000 0.686 424 G C -0.969 173.786 174.900 -0.242 0.000 1.214 424 G CA -0.431 44.597 45.100 -0.119 0.000 0.796 424 G HN 0.804 nan 8.290 nan 0.000 0.654 425 H N -1.084 118.044 119.070 0.097 0.000 2.947 425 H HA 0.253 4.809 4.556 -0.000 0.000 0.273 425 H C 0.458 175.931 175.328 0.240 0.000 1.283 425 H CA -0.129 56.041 56.048 0.203 0.000 1.490 425 H CB 0.993 30.998 29.762 0.405 0.000 1.935 425 H HN 0.681 nan 8.280 nan 0.000 0.501 426 H N 0.726 119.875 119.070 0.133 0.000 2.363 426 H HA -0.091 4.465 4.556 0.000 0.000 0.301 426 H C 2.049 177.207 175.328 -0.283 0.000 1.074 426 H CA 2.189 58.171 56.048 -0.111 0.000 1.354 426 H CB 0.227 29.880 29.762 -0.181 0.000 1.397 426 H HN 0.610 nan 8.280 nan 0.000 0.516 427 H N -0.083 118.852 119.070 -0.224 0.000 2.456 427 H HA -0.096 4.460 4.556 0.000 0.000 0.296 427 H C 1.095 176.232 175.328 -0.318 0.000 1.079 427 H CA 1.449 57.315 56.048 -0.303 0.000 1.322 427 H CB -0.029 29.570 29.762 -0.271 0.000 1.388 427 H HN 0.555 nan 8.280 nan 0.000 0.538 428 H N -1.292 117.904 119.070 0.209 0.000 2.539 428 H HA 0.028 4.584 4.556 -0.000 0.000 0.267 428 H C 0.671 175.926 175.328 -0.121 0.000 0.982 428 H CA 0.441 56.548 56.048 0.098 0.000 1.146 428 H CB 0.266 30.095 29.762 0.111 0.000 1.382 428 H HN 0.549 nan 8.280 nan 0.000 0.577 429 H N -1.522 117.529 119.070 -0.031 0.000 3.233 429 H HA 0.115 4.671 4.556 -0.000 0.000 0.263 429 H C 0.683 175.896 175.328 -0.191 0.000 1.168 429 H CA -0.314 55.684 56.048 -0.085 0.000 1.159 429 H CB 0.543 30.283 29.762 -0.037 0.000 1.593 429 H HN 0.201 nan 8.280 nan 0.000 0.580 430 H N 0.000 118.966 119.070 -0.174 0.000 2.539 430 H HA 0.000 4.556 4.556 0.000 0.000 0.296 430 H CA 0.000 55.884 56.048 -0.273 0.000 1.023 430 H CB 0.000 29.539 29.762 -0.371 0.000 1.292 430 H HN 0.000 nan 8.280 nan 0.000 0.496