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 2x0y_1_B DATA FIRST_RESID 40 DATA SEQUENCE QVLVPNLNPT PENLEVVGDG FKITSSINLV GEEEADENAV NALREFLTAN DATA SEQUENCE NIEINSENDP NSTTLIIGEV DDDIPELDEA LNGTTAENLK EEGYALVSND DATA SEQUENCE GKIAIEGKDG DGTFYGVQTF KQLVKESNIP EVNITDYPTV SARGIVEGFY DATA SEQUENCE GTPWTHQDRL DQIKFYGENK LNTYIYAPKD DPYHREKWRE PYPESEMQRM DATA SEQUENCE QELINASAEN KVDFVFGISP GIDIRFDGDA GEEDFNHLIT KAESLYDMGV DATA SEQUENCE RSFAIYWDDI QDKSAAKHAQ VLNRFNEEFV KAKGDVKPLI TVPTEYDTGA DATA SEQUENCE MVSNGQPRAY TRIFAETVDP SIEVMWTGPG VVTNEIPLSD AQLISGIYNR DATA SEQUENCE NMAVWWNYPV TDYFKGKLAL GPMHGLDKGL NQYVDFFTVN PMEHAELSKI DATA SEQUENCE SIHTAADYSW NMDNYDYDKA WNRAIDMLYG DLAEDMKVFA NHSTRMDNKT DATA SEQUENCE WAKSGREDAP ELRAKMDELW NKLSSKEDAS ALIEELYGEF ARMEEACNNL DATA SEQUENCE KANLPEVALE ECSRQLDELI TLAQGDKASL DMIVAQLNED TEAYESAKEI DATA SEQUENCE AQNKLNTALS SFAVISEKVA QSFIQEALSF DLTLI 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 40 Q HA 0.000 nan 4.340 nan 0.000 0.214 40 Q C 0.000 175.999 176.000 -0.001 0.000 1.003 40 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 40 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 41 V N 5.139 125.049 119.914 -0.007 0.000 2.406 41 V HA 0.501 5.767 4.120 1.910 0.000 0.272 41 V C -0.195 175.882 176.094 -0.028 0.000 1.043 41 V CA -0.148 62.136 62.300 -0.027 0.000 0.915 41 V CB 0.492 32.284 31.823 -0.052 0.000 0.988 41 V HN 0.642 nan 8.190 nan 0.000 0.466 42 L N 6.046 127.253 121.223 -0.027 0.000 2.456 42 L HA 0.456 5.943 4.340 1.910 0.000 0.257 42 L C 0.038 176.889 176.870 -0.032 0.000 1.162 42 L CA -0.786 54.040 54.840 -0.023 0.000 0.808 42 L CB 1.275 43.323 42.059 -0.018 0.000 1.136 42 L HN 0.407 nan 8.230 nan 0.000 0.466 43 V N 1.911 121.810 119.914 -0.026 0.000 2.479 43 V HA 0.124 5.391 4.120 1.910 0.000 0.281 43 V C -1.725 174.350 176.094 -0.032 0.000 1.031 43 V CA -1.154 61.127 62.300 -0.031 0.000 1.038 43 V CB 0.185 31.996 31.823 -0.020 0.000 0.981 43 V HN 0.655 nan 8.190 nan 0.000 0.478 44 P HA 0.187 nan 4.420 nan 0.000 0.275 44 P C -0.206 177.077 177.300 -0.028 0.000 1.266 44 P CA -0.751 62.326 63.100 -0.039 0.000 0.793 44 P CB 0.348 32.016 31.700 -0.054 0.000 1.074 45 N N 0.240 118.930 118.700 -0.017 0.000 2.356 45 N HA 0.050 5.936 4.740 1.910 0.000 0.252 45 N C -0.437 175.069 175.510 -0.006 0.000 1.241 45 N CA 0.612 53.662 53.050 0.000 0.000 0.861 45 N CB -0.187 38.310 38.487 0.016 0.000 1.075 45 N HN 0.284 nan 8.380 nan 0.000 0.461 46 L N 1.909 123.130 121.223 -0.003 0.000 2.381 46 L HA 0.486 5.972 4.340 1.910 0.000 0.268 46 L C 0.164 177.014 176.870 -0.033 0.000 0.997 46 L CA -0.683 54.137 54.840 -0.034 0.000 0.818 46 L CB 2.041 44.071 42.059 -0.048 0.000 1.310 46 L HN 0.460 nan 8.230 nan 0.000 0.416 47 N N 2.229 120.869 118.700 -0.100 0.000 2.478 47 N HA 0.427 6.314 4.740 1.910 0.000 0.291 47 N C -2.949 172.359 175.510 -0.338 0.000 1.090 47 N CA -1.208 51.723 53.050 -0.198 0.000 0.911 47 N CB 3.373 41.674 38.487 -0.310 0.000 1.546 47 N HN 0.208 nan 8.380 nan 0.000 0.500 48 P HA 0.129 nan 4.420 nan 0.000 0.274 48 P C -0.599 176.589 177.300 -0.186 0.000 1.246 48 P CA -0.018 62.902 63.100 -0.300 0.000 0.795 48 P CB 0.439 31.876 31.700 -0.439 0.000 1.006 49 T N 3.207 117.740 114.554 -0.035 0.000 2.793 49 T HA 0.155 5.651 4.350 1.910 0.000 0.289 49 T C -2.136 172.592 174.700 0.047 0.000 0.956 49 T CA -0.583 61.524 62.100 0.012 0.000 1.177 49 T CB -0.734 68.164 68.868 0.051 0.000 0.897 49 T HN 0.293 nan 8.240 nan 0.000 0.533 50 P HA 0.135 nan 4.420 nan 0.000 0.269 50 P C 0.870 178.178 177.300 0.012 0.000 1.209 50 P CA -0.271 62.869 63.100 0.067 0.000 0.776 50 P CB 0.699 32.424 31.700 0.041 0.000 0.876 51 E N 2.492 122.649 120.200 -0.070 0.000 2.058 51 E HA -0.152 5.344 4.350 1.910 0.000 0.194 51 E C -0.018 176.509 176.600 -0.122 0.000 0.997 51 E CA 1.715 57.985 56.400 -0.217 0.000 0.801 51 E CB -0.099 29.220 29.700 -0.636 0.000 0.746 51 E HN 0.402 nan 8.360 nan 0.000 0.450 52 N N -0.010 118.634 118.700 -0.092 0.000 2.410 52 N HA 0.327 6.213 4.740 1.910 0.000 0.287 52 N C -1.401 174.100 175.510 -0.016 0.000 1.044 52 N CA -0.420 52.607 53.050 -0.038 0.000 0.881 52 N CB 2.055 40.532 38.487 -0.017 0.000 1.405 52 N HN 0.066 nan 8.380 nan 0.000 0.490 53 L N 1.022 122.244 121.223 -0.002 0.000 2.470 53 L HA 0.436 5.922 4.340 1.910 0.000 0.268 53 L C -0.988 175.890 176.870 0.013 0.000 0.964 53 L CA -0.421 54.425 54.840 0.011 0.000 0.839 53 L CB 2.295 44.361 42.059 0.011 0.000 1.276 53 L HN 0.501 nan 8.230 nan 0.000 0.403 54 E N 3.801 124.014 120.200 0.021 0.000 2.224 54 E HA 0.405 5.901 4.350 1.910 0.000 0.265 54 E C -1.534 175.082 176.600 0.027 0.000 0.878 54 E CA -0.755 55.657 56.400 0.021 0.000 0.759 54 E CB 2.264 31.977 29.700 0.022 0.000 1.164 54 E HN 0.423 nan 8.360 nan 0.000 0.414 55 V N 5.335 125.263 119.914 0.023 0.000 2.508 55 V HA 0.034 5.300 4.120 1.910 0.000 0.281 55 V C 1.153 177.266 176.094 0.032 0.000 1.041 55 V CA 0.204 62.520 62.300 0.027 0.000 1.016 55 V CB 0.989 32.823 31.823 0.018 0.000 0.984 55 V HN 0.707 nan 8.190 nan 0.000 0.478 56 V N 2.159 122.099 119.914 0.044 0.000 3.572 56 V HA 0.633 5.900 4.120 1.910 0.000 0.260 56 V C 0.759 176.884 176.094 0.052 0.000 1.324 56 V CA 0.938 63.266 62.300 0.046 0.000 1.068 56 V CB 0.127 31.980 31.823 0.050 0.000 0.837 56 V HN 0.812 nan 8.190 nan 0.000 0.450 57 G N -0.515 108.325 108.800 0.066 0.000 3.222 57 G HA2 0.461 5.567 3.960 1.910 0.000 0.263 57 G HA3 0.461 5.567 3.960 1.910 0.000 0.263 57 G C -0.627 174.313 174.900 0.066 0.000 1.312 57 G CA 0.340 45.484 45.100 0.073 0.000 0.934 57 G HN 0.008 nan 8.290 nan 0.000 0.577 58 D N -0.298 120.147 120.400 0.075 0.000 2.354 58 D HA 0.316 6.102 4.640 1.910 0.000 0.209 58 D C 1.351 177.688 176.300 0.061 0.000 1.015 58 D CA 1.326 55.360 54.000 0.057 0.000 0.867 58 D CB 0.810 41.641 40.800 0.052 0.000 0.933 58 D HN 1.017 nan 8.370 nan 0.000 0.520 59 G N 0.992 109.857 108.800 0.108 0.000 2.663 59 G HA2 0.019 5.125 3.960 1.910 0.000 0.686 59 G HA3 0.019 5.125 3.960 1.910 0.000 0.686 59 G C -0.674 174.331 174.900 0.175 0.000 1.288 59 G CA -0.518 44.623 45.100 0.068 0.000 0.836 59 G HN 0.209 nan 8.290 nan 0.000 0.584 60 F N -2.124 117.842 119.950 0.027 0.000 2.685 60 F HA 0.882 6.556 4.527 1.911 0.000 0.315 60 F C -0.463 175.355 175.800 0.030 0.000 1.126 60 F CA -1.584 56.432 58.000 0.027 0.000 0.950 60 F CB 1.691 40.710 39.000 0.031 0.000 1.360 60 F HN 0.544 nan 8.300 nan 0.000 0.469 61 K N 2.328 122.877 120.400 0.248 0.000 2.227 61 K HA 0.452 5.918 4.320 1.910 0.000 0.280 61 K C -0.819 175.924 176.600 0.239 0.000 1.041 61 K CA -0.365 56.005 56.287 0.139 0.000 0.905 61 K CB 0.899 33.461 32.500 0.103 0.000 1.068 61 K HN 0.784 nan 8.250 nan 0.000 0.470 62 I N 4.749 125.405 120.570 0.143 0.000 2.379 62 I HA -0.031 5.285 4.170 1.910 0.000 0.290 62 I C 1.121 177.317 176.117 0.132 0.000 1.063 62 I CA -0.285 61.130 61.300 0.192 0.000 1.351 62 I CB 0.768 38.869 38.000 0.169 0.000 1.410 62 I HN 0.645 nan 8.210 nan 0.000 0.505 63 T N 1.746 116.379 114.554 0.131 0.000 2.856 63 T HA -0.046 5.450 4.350 1.910 0.000 0.329 63 T C 1.354 176.092 174.700 0.062 0.000 1.094 63 T CA -0.185 61.964 62.100 0.082 0.000 1.112 63 T CB 0.722 69.632 68.868 0.069 0.000 1.009 63 T HN 0.752 nan 8.240 nan 0.000 0.550 64 S N 0.142 115.864 115.700 0.038 0.000 2.474 64 S HA 0.071 5.687 4.470 1.910 0.000 0.235 64 S C 0.659 175.272 174.600 0.023 0.000 0.997 64 S CA -0.152 58.060 58.200 0.021 0.000 0.949 64 S CB -0.146 63.059 63.200 0.009 0.000 0.766 64 S HN 0.642 nan 8.310 nan 0.000 0.517 65 S N 1.382 117.101 115.700 0.031 0.000 2.532 65 S HA 0.747 6.363 4.470 1.910 0.000 0.299 65 S C -0.395 174.230 174.600 0.042 0.000 1.105 65 S CA -0.953 57.265 58.200 0.030 0.000 1.018 65 S CB 1.556 64.767 63.200 0.020 0.000 1.021 65 S HN 0.549 nan 8.310 nan 0.000 0.483 66 I N 0.072 120.668 120.570 0.044 0.000 2.892 66 I HA 0.667 5.984 4.170 1.910 0.000 0.306 66 I C -0.969 175.168 176.117 0.033 0.000 1.078 66 I CA -1.065 60.266 61.300 0.052 0.000 1.032 66 I CB 1.722 39.768 38.000 0.077 0.000 1.229 66 I HN 0.272 nan 8.210 nan 0.000 0.435 67 N N 3.712 122.428 118.700 0.028 0.000 2.422 67 N HA 0.391 6.277 4.740 1.910 0.000 0.264 67 N C -1.092 174.423 175.510 0.008 0.000 1.063 67 N CA -0.276 52.782 53.050 0.014 0.000 0.959 67 N CB 1.877 40.369 38.487 0.009 0.000 1.087 67 N HN 0.502 nan 8.380 nan 0.000 0.483 68 L N 3.532 124.756 121.223 0.003 0.000 2.272 68 L HA 0.458 5.945 4.340 1.910 0.000 0.289 68 L C -0.964 175.900 176.870 -0.010 0.000 1.032 68 L CA -0.599 54.236 54.840 -0.008 0.000 0.810 68 L CB 1.304 43.360 42.059 -0.006 0.000 1.205 68 L HN 0.195 nan 8.230 nan 0.000 0.422 69 V N 5.323 125.228 119.914 -0.016 0.000 2.443 69 V HA 0.700 5.966 4.120 1.910 0.000 0.293 69 V C 0.667 176.752 176.094 -0.015 0.000 1.021 69 V CA 0.298 62.590 62.300 -0.012 0.000 0.848 69 V CB 1.050 32.867 31.823 -0.009 0.000 0.998 69 V HN 0.937 nan 8.190 nan 0.000 0.424 70 G N 3.733 112.527 108.800 -0.011 0.000 2.192 70 G HA2 -0.173 4.934 3.960 1.910 0.000 0.193 70 G HA3 -0.173 4.934 3.960 1.910 0.000 0.193 70 G C 0.795 175.689 174.900 -0.009 0.000 0.999 70 G CA 0.211 45.306 45.100 -0.009 0.000 0.659 70 G HN 0.772 nan 8.290 nan 0.000 0.503 71 E N 0.858 121.052 120.200 -0.011 0.000 2.401 71 E HA -0.069 5.427 4.350 1.910 0.000 0.199 71 E C 1.403 178.001 176.600 -0.003 0.000 1.023 71 E CA 1.330 57.725 56.400 -0.009 0.000 0.859 71 E CB -0.045 29.651 29.700 -0.008 0.000 0.780 71 E HN 0.478 nan 8.360 nan 0.000 0.523 72 E N 0.907 121.106 120.200 -0.002 0.000 2.276 72 E HA -0.055 5.441 4.350 1.910 0.000 0.193 72 E C 1.730 178.330 176.600 0.001 0.000 0.983 72 E CA 0.811 57.211 56.400 0.000 0.000 0.861 72 E CB 0.212 29.912 29.700 0.000 0.000 0.817 72 E HN 0.583 nan 8.360 nan 0.000 0.485 73 E N 0.353 120.554 120.200 0.001 0.000 2.389 73 E HA 0.204 5.700 4.350 1.910 0.000 0.199 73 E C 0.837 177.439 176.600 0.005 0.000 0.978 73 E CA 0.019 56.421 56.400 0.003 0.000 0.912 73 E CB 0.027 29.730 29.700 0.004 0.000 0.907 73 E HN -0.019 nan 8.360 nan 0.000 0.494 74 A N 2.280 125.102 122.820 0.003 0.000 2.386 74 A HA 0.000 5.467 4.320 1.910 0.000 0.246 74 A C 0.300 177.888 177.584 0.007 0.000 1.089 74 A CA -0.213 51.827 52.037 0.004 0.000 0.790 74 A CB 0.062 19.060 19.000 -0.004 0.000 1.042 74 A HN 0.177 nan 8.150 nan 0.000 0.497 75 D N 0.290 120.697 120.400 0.011 0.000 2.520 75 D HA -0.084 5.702 4.640 1.910 0.000 0.243 75 D C 0.993 177.304 176.300 0.018 0.000 1.160 75 D CA 0.608 54.615 54.000 0.013 0.000 0.877 75 D CB 0.506 41.317 40.800 0.018 0.000 1.150 75 D HN 0.702 nan 8.370 nan 0.000 0.494 76 E N 3.309 123.515 120.200 0.010 0.000 2.085 76 E HA -0.237 5.259 4.350 1.910 0.000 0.194 76 E C 1.391 178.010 176.600 0.031 0.000 0.994 76 E CA 1.471 57.879 56.400 0.013 0.000 0.801 76 E CB 0.166 29.866 29.700 0.001 0.000 0.743 76 E HN 0.600 nan 8.360 nan 0.000 0.453 77 N N -0.151 118.568 118.700 0.031 0.000 2.188 77 N HA -0.128 5.758 4.740 1.910 0.000 0.184 77 N C 1.789 177.431 175.510 0.221 0.000 1.018 77 N CA 0.833 53.928 53.050 0.075 0.000 0.858 77 N CB -0.121 38.340 38.487 -0.042 0.000 0.989 77 N HN 0.147 nan 8.380 nan 0.000 0.426 78 A N 0.808 123.752 122.820 0.207 0.000 1.902 78 A HA -0.094 5.372 4.320 1.910 0.000 0.217 78 A C 2.373 179.989 177.584 0.054 0.000 1.181 78 A CA 1.180 53.316 52.037 0.166 0.000 0.623 78 A CB -0.781 18.269 19.000 0.084 0.000 0.818 78 A HN 0.101 nan 8.150 nan 0.000 0.443 79 V N 0.918 120.857 119.914 0.042 0.000 2.358 79 V HA -0.239 5.027 4.120 1.910 0.000 0.246 79 V C 2.310 178.426 176.094 0.037 0.000 1.047 79 V CA 2.047 64.359 62.300 0.020 0.000 1.035 79 V CB -0.925 30.906 31.823 0.013 0.000 0.658 79 V HN 0.547 nan 8.190 nan 0.000 0.452 80 N N 0.425 119.158 118.700 0.056 0.000 2.166 80 N HA -0.107 5.779 4.740 1.910 0.000 0.186 80 N C 1.893 177.449 175.510 0.076 0.000 1.019 80 N CA 1.606 54.692 53.050 0.061 0.000 0.856 80 N CB -0.307 38.216 38.487 0.060 0.000 0.993 80 N HN 0.495 nan 8.380 nan 0.000 0.426 81 A N 0.926 123.800 122.820 0.090 0.000 1.930 81 A HA -0.087 5.379 4.320 1.910 0.000 0.217 81 A C 2.241 179.861 177.584 0.060 0.000 1.175 81 A CA 0.846 52.917 52.037 0.057 0.000 0.627 81 A CB -0.582 18.391 19.000 -0.045 0.000 0.815 81 A HN 0.248 nan 8.150 nan 0.000 0.443 82 L N -0.184 121.067 121.223 0.047 0.000 2.027 82 L HA -0.096 5.390 4.340 1.910 0.000 0.206 82 L C 2.423 179.388 176.870 0.159 0.000 1.074 82 L CA 1.896 56.794 54.840 0.096 0.000 0.745 82 L CB -0.497 41.565 42.059 0.005 0.000 0.898 82 L HN 0.329 nan 8.230 nan 0.000 0.433 83 R N -0.511 120.045 120.500 0.095 0.000 2.096 83 R HA -0.183 5.304 4.340 1.910 0.000 0.235 83 R C 2.255 178.604 176.300 0.081 0.000 1.127 83 R CA 1.505 57.652 56.100 0.078 0.000 0.968 83 R CB -0.425 29.902 30.300 0.046 0.000 0.861 83 R HN 0.545 nan 8.270 nan 0.000 0.440 84 E N 0.261 120.516 120.200 0.091 0.000 2.085 84 E HA -0.234 5.262 4.350 1.910 0.000 0.194 84 E C 1.654 178.317 176.600 0.105 0.000 0.994 84 E CA 1.235 57.684 56.400 0.080 0.000 0.801 84 E CB -0.091 29.658 29.700 0.082 0.000 0.743 84 E HN 0.243 nan 8.360 nan 0.000 0.453 85 F N 0.631 120.592 119.950 0.018 0.000 2.113 85 F HA -0.171 5.502 4.527 1.909 0.000 0.297 85 F C 1.855 177.675 175.800 0.034 0.000 1.103 85 F CA 0.838 58.851 58.000 0.022 0.000 1.248 85 F CB -0.229 38.801 39.000 0.049 0.000 0.999 85 F HN 0.059 nan 8.300 nan 0.000 0.475 86 L N 0.498 121.766 121.223 0.074 0.000 1.989 86 L HA -0.238 5.248 4.340 1.910 0.000 0.211 86 L C 2.552 179.351 176.870 -0.120 0.000 1.071 86 L CA 2.385 57.209 54.840 -0.027 0.000 0.749 86 L CB -1.781 40.328 42.059 0.082 0.000 0.890 86 L HN 0.174 nan 8.230 nan 0.000 0.431 87 T N -0.297 114.218 114.554 -0.064 0.000 2.635 87 T HA -0.253 5.244 4.350 1.910 0.000 0.267 87 T C 1.860 176.491 174.700 -0.115 0.000 1.040 87 T CA 1.621 63.681 62.100 -0.067 0.000 1.156 87 T CB -0.467 68.382 68.868 -0.031 0.000 0.863 87 T HN 0.443 nan 8.240 nan 0.000 0.430 88 A N 1.763 124.490 122.820 -0.155 0.000 2.067 88 A HA -0.035 5.431 4.320 1.910 0.000 0.219 88 A C 1.836 179.275 177.584 -0.242 0.000 1.158 88 A CA 0.994 52.929 52.037 -0.171 0.000 0.661 88 A CB -0.302 18.610 19.000 -0.146 0.000 0.801 88 A HN 0.513 nan 8.150 nan 0.000 0.452 89 N N 0.808 119.289 118.700 -0.366 0.000 2.320 89 N HA 0.019 5.905 4.740 1.910 0.000 0.237 89 N C -0.782 174.605 175.510 -0.204 0.000 1.129 89 N CA -0.094 52.746 53.050 -0.349 0.000 0.854 89 N CB 0.088 38.215 38.487 -0.600 0.000 1.083 89 N HN 0.359 nan 8.380 nan 0.000 0.504 90 N N 1.043 119.656 118.700 -0.146 0.000 2.714 90 N HA -0.193 5.693 4.740 1.910 0.000 0.252 90 N C -0.703 174.766 175.510 -0.067 0.000 1.014 90 N CA 0.859 53.856 53.050 -0.088 0.000 0.735 90 N CB -1.270 37.175 38.487 -0.069 0.000 0.924 90 N HN 0.473 nan 8.380 nan 0.000 0.540 91 I N 0.487 121.015 120.570 -0.070 0.000 2.362 91 I HA 0.185 5.501 4.170 1.910 0.000 0.289 91 I C 0.590 176.703 176.117 -0.007 0.000 0.994 91 I CA -0.571 60.714 61.300 -0.025 0.000 1.158 91 I CB 1.577 39.575 38.000 -0.004 0.000 1.315 91 I HN -0.131 nan 8.210 nan 0.000 0.451 92 E N 6.075 126.277 120.200 0.004 0.000 2.283 92 E HA 0.496 5.992 4.350 1.910 0.000 0.271 92 E C -0.569 176.041 176.600 0.017 0.000 1.031 92 E CA -0.691 55.713 56.400 0.006 0.000 0.868 92 E CB 2.518 32.220 29.700 0.003 0.000 1.094 92 E HN 0.433 nan 8.360 nan 0.000 0.401 93 I N 2.789 123.368 120.570 0.015 0.000 2.304 93 I HA 0.086 5.402 4.170 1.910 0.000 0.291 93 I C 0.268 176.392 176.117 0.012 0.000 1.018 93 I CA -0.643 60.667 61.300 0.016 0.000 1.260 93 I CB 0.612 38.621 38.000 0.014 0.000 1.390 93 I HN 0.096 nan 8.210 nan 0.000 0.475 94 N N 3.771 122.479 118.700 0.013 0.000 2.412 94 N HA -0.038 5.848 4.740 1.910 0.000 0.258 94 N C 1.015 176.529 175.510 0.006 0.000 1.236 94 N CA 0.305 53.361 53.050 0.009 0.000 0.882 94 N CB 1.188 39.681 38.487 0.010 0.000 1.066 94 N HN 0.544 nan 8.380 nan 0.000 0.465 95 S N 1.274 116.977 115.700 0.005 0.000 2.387 95 S HA -0.069 5.547 4.470 1.910 0.000 0.226 95 S C 0.374 174.976 174.600 0.003 0.000 1.026 95 S CA 1.168 59.370 58.200 0.003 0.000 0.972 95 S CB 0.189 63.390 63.200 0.002 0.000 0.814 95 S HN 0.604 nan 8.310 nan 0.000 0.477 96 E N 0.519 120.720 120.200 0.003 0.000 2.343 96 E HA 0.432 5.928 4.350 1.910 0.000 0.270 96 E C -0.788 175.814 176.600 0.002 0.000 0.895 96 E CA -0.669 55.732 56.400 0.002 0.000 0.767 96 E CB 1.138 30.838 29.700 0.001 0.000 1.248 96 E HN 0.213 nan 8.360 nan 0.000 0.440 97 N N 1.617 120.318 118.700 0.001 0.000 2.353 97 N HA -0.016 5.870 4.740 1.910 0.000 0.248 97 N C -1.285 174.226 175.510 0.001 0.000 1.240 97 N CA 0.741 53.791 53.050 0.001 0.000 0.862 97 N CB 0.443 38.929 38.487 -0.000 0.000 1.086 97 N HN 0.310 nan 8.380 nan 0.000 0.453 98 D N 3.078 123.479 120.400 0.002 0.000 2.602 98 D HA 0.246 6.032 4.640 1.910 0.000 0.245 98 D C -2.252 174.048 176.300 0.000 0.000 1.325 98 D CA -1.802 52.199 54.000 0.002 0.000 0.952 98 D CB 1.752 42.554 40.800 0.005 0.000 1.317 98 D HN 0.358 nan 8.370 nan 0.000 0.577 99 P HA -0.026 nan 4.420 nan 0.000 0.234 99 P C 0.563 177.857 177.300 -0.010 0.000 1.167 99 P CA 0.349 63.444 63.100 -0.008 0.000 0.763 99 P CB 0.576 32.270 31.700 -0.009 0.000 0.835 100 N N -0.603 118.095 118.700 -0.004 0.000 2.424 100 N HA 0.023 5.909 4.740 1.910 0.000 0.178 100 N C 0.561 176.074 175.510 0.005 0.000 1.060 100 N CA 0.437 53.486 53.050 -0.002 0.000 0.901 100 N CB -0.008 38.481 38.487 0.003 0.000 0.979 100 N HN 0.093 nan 8.380 nan 0.000 0.451 101 S N 0.227 115.932 115.700 0.009 0.000 2.610 101 S HA 0.248 5.864 4.470 1.910 0.000 0.273 101 S C 0.248 174.863 174.600 0.025 0.000 1.274 101 S CA -0.477 57.736 58.200 0.023 0.000 1.023 101 S CB 1.440 64.655 63.200 0.024 0.000 0.962 101 S HN 0.078 nan 8.310 nan 0.000 0.523 102 T N 3.215 117.804 114.554 0.058 0.000 2.928 102 T HA 0.153 5.650 4.350 1.910 0.000 0.305 102 T C 0.157 174.896 174.700 0.064 0.000 1.035 102 T CA 0.212 62.363 62.100 0.084 0.000 1.145 102 T CB 0.134 69.118 68.868 0.193 0.000 0.963 102 T HN 0.503 nan 8.240 nan 0.000 0.545 103 T N 4.286 118.866 114.554 0.043 0.000 2.771 103 T HA 0.479 5.976 4.350 1.910 0.000 0.281 103 T C -0.249 174.470 174.700 0.033 0.000 0.982 103 T CA -0.589 61.527 62.100 0.027 0.000 0.978 103 T CB 0.639 69.509 68.868 0.003 0.000 0.930 103 T HN 0.409 nan 8.240 nan 0.000 0.447 104 L N 4.791 126.018 121.223 0.007 0.000 2.287 104 L HA 0.641 6.127 4.340 1.910 0.000 0.287 104 L C -1.400 175.439 176.870 -0.053 0.000 1.022 104 L CA -0.932 53.882 54.840 -0.044 0.000 0.814 104 L CB 0.650 42.644 42.059 -0.109 0.000 1.217 104 L HN 0.566 nan 8.230 nan 0.000 0.420 105 I N 6.310 126.848 120.570 -0.053 0.000 2.406 105 I HA 0.463 5.779 4.170 1.910 0.000 0.290 105 I C -0.450 175.635 176.117 -0.053 0.000 0.999 105 I CA -0.077 61.200 61.300 -0.039 0.000 1.124 105 I CB 1.755 39.746 38.000 -0.014 0.000 1.289 105 I HN 0.452 nan 8.210 nan 0.000 0.441 106 I N 4.810 125.351 120.570 -0.048 0.000 2.582 106 I HA 0.912 6.228 4.170 1.910 0.000 0.292 106 I C -0.227 175.879 176.117 -0.019 0.000 1.066 106 I CA 0.044 61.315 61.300 -0.049 0.000 1.053 106 I CB 1.839 39.791 38.000 -0.080 0.000 1.241 106 I HN 0.729 nan 8.210 nan 0.000 0.421 107 G N 5.191 113.989 108.800 -0.004 0.000 2.320 107 G HA2 0.333 5.439 3.960 1.910 0.000 0.296 107 G HA3 0.333 5.439 3.960 1.910 0.000 0.296 107 G C -1.995 172.922 174.900 0.028 0.000 1.306 107 G CA -0.640 44.466 45.100 0.010 0.000 0.836 107 G HN 0.510 nan 8.290 nan 0.000 0.517 108 E N -1.128 119.090 120.200 0.031 0.000 2.239 108 E HA 0.588 6.084 4.350 1.910 0.000 0.261 108 E C 1.303 177.927 176.600 0.040 0.000 1.016 108 E CA -0.665 55.761 56.400 0.043 0.000 0.882 108 E CB 2.017 31.740 29.700 0.038 0.000 1.190 108 E HN 0.201 nan 8.360 nan 0.000 0.415 109 V N 1.008 120.949 119.914 0.045 0.000 2.343 109 V HA -0.224 5.042 4.120 1.910 0.000 0.247 109 V C 1.315 177.425 176.094 0.027 0.000 1.051 109 V CA 2.300 64.623 62.300 0.038 0.000 1.036 109 V CB -0.639 31.208 31.823 0.039 0.000 0.654 109 V HN 0.763 nan 8.190 nan 0.000 0.451 110 D N -1.204 119.211 120.400 0.025 0.000 2.349 110 D HA -0.038 5.748 4.640 1.910 0.000 0.224 110 D C 0.236 176.546 176.300 0.017 0.000 1.029 110 D CA 0.040 54.051 54.000 0.019 0.000 0.879 110 D CB -0.477 40.334 40.800 0.018 0.000 0.906 110 D HN 0.318 nan 8.370 nan 0.000 0.528 111 D N 0.813 121.224 120.400 0.018 0.000 2.302 111 D HA 0.077 5.863 4.640 1.910 0.000 0.248 111 D C -0.427 175.881 176.300 0.013 0.000 1.094 111 D CA -0.128 53.880 54.000 0.015 0.000 0.897 111 D CB 1.044 41.853 40.800 0.015 0.000 1.200 111 D HN 0.089 nan 8.370 nan 0.000 0.429 112 D N 2.623 123.029 120.400 0.010 0.000 2.441 112 D HA 0.223 6.009 4.640 1.910 0.000 0.221 112 D C -0.751 175.553 176.300 0.008 0.000 1.156 112 D CA -0.286 53.720 54.000 0.009 0.000 0.896 112 D CB 0.058 40.862 40.800 0.008 0.000 1.028 112 D HN 0.290 nan 8.370 nan 0.000 0.509 113 I N 5.445 126.020 120.570 0.009 0.000 2.503 113 I HA 0.179 5.496 4.170 1.910 0.000 0.282 113 I C -1.885 174.237 176.117 0.007 0.000 1.059 113 I CA -1.950 59.354 61.300 0.007 0.000 1.081 113 I CB 2.393 40.397 38.000 0.006 0.000 1.210 113 I HN 0.091 nan 8.210 nan 0.000 0.450 114 P HA -0.072 nan 4.420 nan 0.000 0.219 114 P C 0.984 178.287 177.300 0.005 0.000 1.150 114 P CA 1.122 64.225 63.100 0.006 0.000 0.814 114 P CB 0.365 32.067 31.700 0.004 0.000 0.787 115 E N -0.572 119.630 120.200 0.004 0.000 2.110 115 E HA -0.157 5.340 4.350 1.910 0.000 0.193 115 E C 1.823 178.426 176.600 0.006 0.000 0.988 115 E CA 0.712 57.114 56.400 0.003 0.000 0.804 115 E CB -1.029 28.671 29.700 -0.000 0.000 0.745 115 E HN 0.100 nan 8.360 nan 0.000 0.458 116 L N 1.284 122.512 121.223 0.008 0.000 2.017 116 L HA -0.176 5.310 4.340 1.910 0.000 0.208 116 L C 1.146 178.027 176.870 0.018 0.000 1.073 116 L CA 1.999 56.847 54.840 0.013 0.000 0.745 116 L CB -0.510 41.558 42.059 0.014 0.000 0.894 116 L HN -0.017 nan 8.230 nan 0.000 0.432 117 D N -0.720 119.689 120.400 0.016 0.000 2.117 117 D HA -0.193 5.594 4.640 1.910 0.000 0.197 117 D C 2.131 178.441 176.300 0.016 0.000 0.987 117 D CA 1.265 55.276 54.000 0.017 0.000 0.829 117 D CB 0.045 40.854 40.800 0.014 0.000 0.961 117 D HN 0.375 nan 8.370 nan 0.000 0.460 118 E N 0.056 120.263 120.200 0.012 0.000 2.047 118 E HA -0.042 5.454 4.350 1.910 0.000 0.191 118 E C 2.001 178.608 176.600 0.012 0.000 0.987 118 E CA 1.150 57.556 56.400 0.009 0.000 0.799 118 E CB -0.206 29.496 29.700 0.004 0.000 0.752 118 E HN 0.226 nan 8.360 nan 0.000 0.449 119 A N 0.210 123.038 122.820 0.014 0.000 1.933 119 A HA -0.137 5.330 4.320 1.910 0.000 0.218 119 A C 2.132 179.735 177.584 0.031 0.000 1.175 119 A CA 1.053 53.101 52.037 0.019 0.000 0.628 119 A CB -0.629 18.383 19.000 0.020 0.000 0.814 119 A HN 0.260 nan 8.150 nan 0.000 0.444 120 L N -0.971 120.271 121.223 0.033 0.000 2.275 120 L HA -0.126 5.360 4.340 1.910 0.000 0.215 120 L C 0.797 177.688 176.870 0.035 0.000 1.119 120 L CA 0.565 55.429 54.840 0.040 0.000 0.790 120 L CB -0.589 41.494 42.059 0.041 0.000 0.919 120 L HN 0.495 nan 8.230 nan 0.000 0.443 121 N N 0.656 119.372 118.700 0.027 0.000 2.686 121 N HA -0.227 5.659 4.740 1.910 0.000 0.261 121 N C 0.874 176.398 175.510 0.023 0.000 1.001 121 N CA 0.984 54.047 53.050 0.023 0.000 0.764 121 N CB -0.970 37.531 38.487 0.023 0.000 0.898 121 N HN 0.602 nan 8.380 nan 0.000 0.544 122 G N -1.640 107.173 108.800 0.022 0.000 2.336 122 G HA2 -0.305 4.801 3.960 1.910 0.000 0.233 122 G HA3 -0.305 4.801 3.960 1.910 0.000 0.233 122 G C 0.382 175.296 174.900 0.024 0.000 1.053 122 G CA 0.544 45.657 45.100 0.020 0.000 0.625 122 G HN 0.685 nan 8.290 nan 0.000 0.511 123 T N 1.523 116.095 114.554 0.030 0.000 2.901 123 T HA 0.524 6.020 4.350 1.910 0.000 0.301 123 T C 0.143 174.866 174.700 0.038 0.000 1.012 123 T CA 1.348 63.469 62.100 0.035 0.000 1.135 123 T CB 1.577 70.471 68.868 0.043 0.000 0.936 123 T HN 0.736 nan 8.240 nan 0.000 0.539 124 T N 0.333 114.908 114.554 0.036 0.000 2.889 124 T HA 0.566 6.063 4.350 1.910 0.000 0.315 124 T C 0.277 175.000 174.700 0.039 0.000 1.291 124 T CA -0.220 61.902 62.100 0.038 0.000 1.028 124 T CB 1.126 70.010 68.868 0.027 0.000 1.235 124 T HN 0.496 nan 8.240 nan 0.000 0.491 125 A N 2.033 124.883 122.820 0.050 0.000 2.308 125 A HA 0.231 5.697 4.320 1.910 0.000 0.217 125 A C 1.727 179.329 177.584 0.031 0.000 1.216 125 A CA 0.821 52.889 52.037 0.053 0.000 0.864 125 A CB -0.495 18.564 19.000 0.098 0.000 0.902 125 A HN 0.924 nan 8.150 nan 0.000 0.499 126 E N 0.267 120.480 120.200 0.021 0.000 2.118 126 E HA -0.234 5.262 4.350 1.910 0.000 0.195 126 E C 0.676 177.271 176.600 -0.010 0.000 0.992 126 E CA 1.686 58.092 56.400 0.010 0.000 0.804 126 E CB -0.383 29.323 29.700 0.010 0.000 0.741 126 E HN 0.492 nan 8.360 nan 0.000 0.458 127 N N 0.080 118.765 118.700 -0.025 0.000 2.320 127 N HA 0.248 6.134 4.740 1.910 0.000 0.237 127 N C -0.890 174.556 175.510 -0.106 0.000 1.129 127 N CA -0.150 52.868 53.050 -0.053 0.000 0.854 127 N CB 0.417 38.876 38.487 -0.047 0.000 1.083 127 N HN 0.096 nan 8.380 nan 0.000 0.504 128 L N 0.652 121.813 121.223 -0.103 0.000 2.375 128 L HA 0.381 5.868 4.340 1.910 0.000 0.268 128 L C 0.692 177.459 176.870 -0.171 0.000 1.058 128 L CA -1.141 53.580 54.840 -0.198 0.000 0.803 128 L CB 1.149 43.148 42.059 -0.099 0.000 1.212 128 L HN 0.176 nan 8.230 nan 0.000 0.451 129 K N 0.609 120.846 120.400 -0.271 0.000 2.187 129 K HA 0.162 5.628 4.320 1.910 0.000 0.247 129 K C -0.351 176.221 176.600 -0.046 0.000 1.019 129 K CA -0.575 55.617 56.287 -0.158 0.000 0.893 129 K CB 0.453 32.832 32.500 -0.201 0.000 1.025 129 K HN 0.415 nan 8.250 nan 0.000 0.500 130 E N 0.900 121.097 120.200 -0.006 0.000 2.508 130 E HA -0.168 5.329 4.350 1.910 0.000 0.266 130 E C -0.373 176.295 176.600 0.114 0.000 1.010 130 E CA 0.854 57.288 56.400 0.057 0.000 0.955 130 E CB 0.120 29.853 29.700 0.055 0.000 0.946 130 E HN 0.738 nan 8.360 nan 0.000 0.454 131 E N -1.126 119.199 120.200 0.207 0.000 3.975 131 E HA -0.199 5.297 4.350 1.910 0.000 0.342 131 E C 0.549 177.448 176.600 0.499 0.000 0.677 131 E CA 0.534 57.175 56.400 0.402 0.000 1.238 131 E CB -1.495 28.476 29.700 0.452 0.000 1.665 131 E HN 0.680 nan 8.360 nan 0.000 0.429 132 G N 0.312 109.298 108.800 0.309 0.000 2.636 132 G HA2 0.391 5.497 3.960 1.910 0.000 0.246 132 G HA3 0.391 5.497 3.960 1.910 0.000 0.246 132 G C -0.327 174.803 174.900 0.385 0.000 1.216 132 G CA 0.520 45.801 45.100 0.301 0.000 0.854 132 G HN 0.294 nan 8.290 nan 0.000 0.572 133 Y N -2.541 117.909 120.300 0.250 0.000 2.662 133 Y HA 0.687 6.383 4.550 1.909 0.000 0.334 133 Y C -0.554 175.443 175.900 0.162 0.000 1.185 133 Y CA -1.407 56.806 58.100 0.188 0.000 1.074 133 Y CB 0.706 39.285 38.460 0.199 0.000 1.330 133 Y HN 0.930 nan 8.280 nan 0.000 0.458 134 A N 2.685 125.657 122.820 0.254 0.000 2.355 134 A HA 0.858 6.324 4.320 1.910 0.000 0.324 134 A C -1.960 175.813 177.584 0.314 0.000 1.117 134 A CA -0.923 51.213 52.037 0.165 0.000 0.785 134 A CB 1.683 20.744 19.000 0.101 0.000 1.254 134 A HN 1.152 nan 8.150 nan 0.000 0.453 135 L N 2.315 123.687 121.223 0.249 0.000 2.470 135 L HA 0.713 6.200 4.340 1.910 0.000 0.268 135 L C -1.772 175.187 176.870 0.150 0.000 0.964 135 L CA -0.564 54.411 54.840 0.226 0.000 0.839 135 L CB 2.023 44.263 42.059 0.301 0.000 1.276 135 L HN 0.477 nan 8.230 nan 0.000 0.403 136 V N 2.977 122.967 119.914 0.125 0.000 2.531 136 V HA 0.547 5.813 4.120 1.910 0.000 0.301 136 V C -0.327 175.853 176.094 0.142 0.000 1.034 136 V CA -0.492 61.877 62.300 0.115 0.000 0.865 136 V CB 2.002 33.880 31.823 0.091 0.000 0.995 136 V HN 0.813 nan 8.190 nan 0.000 0.424 137 S N 3.779 119.581 115.700 0.169 0.000 2.474 137 S HA 0.657 6.273 4.470 1.910 0.000 0.321 137 S C -0.656 174.135 174.600 0.319 0.000 1.080 137 S CA -0.653 57.706 58.200 0.265 0.000 1.106 137 S CB 0.979 64.298 63.200 0.198 0.000 0.984 137 S HN 0.827 nan 8.310 nan 0.000 0.464 138 N N 2.112 121.007 118.700 0.324 0.000 2.578 138 N HA 0.130 6.016 4.740 1.910 0.000 0.282 138 N C -1.793 173.673 175.510 -0.072 0.000 1.119 138 N CA -0.212 52.942 53.050 0.174 0.000 0.948 138 N CB 1.303 39.846 38.487 0.093 0.000 1.546 138 N HN 0.753 nan 8.380 nan 0.000 0.525 139 D N 3.274 123.524 120.400 -0.249 0.000 2.904 139 D HA -0.162 5.625 4.640 1.910 0.000 0.231 139 D C 0.975 176.890 176.300 -0.641 0.000 1.185 139 D CA 2.362 56.097 54.000 -0.441 0.000 0.783 139 D CB -1.112 39.581 40.800 -0.179 0.000 0.961 139 D HN 1.063 nan 8.370 nan 0.000 0.409 140 G N 1.016 108.980 108.800 -1.393 0.000 2.184 140 G HA2 -0.343 4.764 3.960 1.910 0.000 0.264 140 G HA3 -0.343 4.764 3.960 1.910 0.000 0.264 140 G C 0.309 175.018 174.900 -0.318 0.000 0.975 140 G CA 0.782 45.394 45.100 -0.815 0.000 0.642 140 G HN 0.635 nan 8.290 nan 0.000 0.536 141 K N -0.456 119.812 120.400 -0.221 0.000 2.378 141 K HA 0.716 6.182 4.320 1.910 0.000 0.252 141 K C -0.739 175.973 176.600 0.186 0.000 0.931 141 K CA -0.838 55.461 56.287 0.020 0.000 0.794 141 K CB 2.084 34.574 32.500 -0.018 0.000 1.181 141 K HN 0.132 nan 8.250 nan 0.000 0.425 142 I N 2.281 122.948 120.570 0.161 0.000 2.411 142 I HA 0.351 5.667 4.170 1.910 0.000 0.284 142 I C -0.644 175.493 176.117 0.034 0.000 1.012 142 I CA -0.534 60.851 61.300 0.141 0.000 1.119 142 I CB 1.949 40.033 38.000 0.140 0.000 1.261 142 I HN 0.598 nan 8.210 nan 0.000 0.448 143 A N 7.817 130.667 122.820 0.049 0.000 2.288 143 A HA 0.846 6.312 4.320 1.910 0.000 0.320 143 A C -0.545 177.057 177.584 0.030 0.000 1.217 143 A CA -0.392 51.659 52.037 0.025 0.000 0.840 143 A CB 0.524 19.549 19.000 0.042 0.000 1.179 143 A HN 0.690 nan 8.150 nan 0.000 0.504 144 I N 2.213 122.781 120.570 -0.002 0.000 2.411 144 I HA 0.297 5.613 4.170 1.910 0.000 0.284 144 I C -0.162 175.983 176.117 0.047 0.000 1.012 144 I CA -0.014 61.296 61.300 0.018 0.000 1.119 144 I CB 1.629 39.579 38.000 -0.084 0.000 1.261 144 I HN 0.795 nan 8.210 nan 0.000 0.448 145 E N 5.654 125.922 120.200 0.114 0.000 2.186 145 E HA 0.490 5.986 4.350 1.910 0.000 0.255 145 E C -0.293 176.410 176.600 0.172 0.000 0.881 145 E CA -0.585 55.880 56.400 0.110 0.000 0.752 145 E CB 1.583 31.337 29.700 0.089 0.000 1.176 145 E HN 0.736 nan 8.360 nan 0.000 0.421 146 G N 3.131 112.020 108.800 0.148 0.000 2.444 146 G HA2 0.026 5.133 3.960 1.910 0.000 0.268 146 G HA3 0.026 5.133 3.960 1.910 0.000 0.268 146 G C 0.628 175.617 174.900 0.149 0.000 1.203 146 G CA -0.376 44.841 45.100 0.195 0.000 0.835 146 G HN 0.557 nan 8.290 nan 0.000 0.543 147 K N 0.314 120.814 120.400 0.166 0.000 2.148 147 K HA -0.038 5.429 4.320 1.910 0.000 0.204 147 K C 0.497 177.151 176.600 0.089 0.000 1.050 147 K CA 1.875 58.227 56.287 0.108 0.000 0.942 147 K CB 0.032 32.590 32.500 0.097 0.000 0.724 147 K HN 0.728 nan 8.250 nan 0.000 0.446 148 D N -4.430 116.034 120.400 0.106 0.000 2.664 148 D HA 0.298 6.084 4.640 1.910 0.000 0.292 148 D C 1.029 177.370 176.300 0.067 0.000 1.214 148 D CA -0.324 53.721 54.000 0.075 0.000 0.932 148 D CB 0.117 40.958 40.800 0.069 0.000 1.420 148 D HN -0.112 nan 8.370 nan 0.000 0.471 149 G N -0.560 108.262 108.800 0.036 0.000 2.469 149 G HA2 -0.282 4.824 3.960 1.910 0.000 0.220 149 G HA3 -0.282 4.824 3.960 1.910 0.000 0.220 149 G C 0.827 175.718 174.900 -0.015 0.000 1.136 149 G CA 1.168 46.275 45.100 0.011 0.000 0.759 149 G HN 0.531 nan 8.290 nan 0.000 0.562 150 D N 0.681 121.061 120.400 -0.033 0.000 2.097 150 D HA -0.073 5.714 4.640 1.910 0.000 0.195 150 D C 2.686 178.918 176.300 -0.113 0.000 0.989 150 D CA 1.338 55.247 54.000 -0.151 0.000 0.827 150 D CB -0.914 39.866 40.800 -0.033 0.000 0.966 150 D HN 0.312 nan 8.370 nan 0.000 0.456 151 G N 0.071 108.967 108.800 0.160 0.000 2.450 151 G HA2 -0.246 4.861 3.960 1.910 0.000 0.220 151 G HA3 -0.246 4.861 3.960 1.910 0.000 0.220 151 G C 1.688 176.712 174.900 0.207 0.000 1.130 151 G CA 1.474 46.792 45.100 0.363 0.000 0.760 151 G HN 0.240 nan 8.290 nan 0.000 0.557 152 T N 0.656 115.268 114.554 0.096 0.000 2.701 152 T HA -0.091 5.406 4.350 1.910 0.000 0.263 152 T C 1.912 176.585 174.700 -0.044 0.000 1.040 152 T CA 0.999 63.115 62.100 0.026 0.000 1.147 152 T CB -0.365 68.523 68.868 0.033 0.000 0.865 152 T HN 0.232 nan 8.240 nan 0.000 0.426 153 F N 1.285 121.117 119.950 -0.197 0.000 2.085 153 F HA -0.287 5.382 4.527 1.902 0.000 0.299 153 F C 1.931 177.596 175.800 -0.224 0.000 1.096 153 F CA 1.517 59.369 58.000 -0.245 0.000 1.227 153 F CB -0.461 38.319 39.000 -0.367 0.000 0.983 153 F HN 0.178 nan 8.300 nan 0.000 0.482 154 Y N 0.228 120.497 120.300 -0.051 0.000 2.373 154 Y HA 0.093 5.784 4.550 1.902 0.000 0.293 154 Y C 2.634 178.092 175.900 -0.736 0.000 1.129 154 Y CA 0.524 58.454 58.100 -0.284 0.000 1.226 154 Y CB -1.485 36.986 38.460 0.017 0.000 1.000 154 Y HN 0.122 nan 8.280 nan 0.000 0.549 155 G N -0.406 107.911 108.800 -0.805 0.000 2.418 155 G HA2 -0.197 4.909 3.960 1.910 0.000 0.217 155 G HA3 -0.197 4.909 3.960 1.910 0.000 0.217 155 G C 1.870 176.488 174.900 -0.471 0.000 1.158 155 G CA 1.266 45.731 45.100 -1.058 0.000 0.771 155 G HN 0.272 nan 8.290 nan 0.000 0.545 156 V N 0.648 120.345 119.914 -0.361 0.000 2.332 156 V HA -0.199 5.067 4.120 1.910 0.000 0.248 156 V C 3.033 178.959 176.094 -0.280 0.000 1.055 156 V CA 1.917 64.057 62.300 -0.266 0.000 1.038 156 V CB -0.353 31.294 31.823 -0.292 0.000 0.651 156 V HN 0.312 nan 8.190 nan 0.000 0.450 157 Q N -0.359 119.196 119.800 -0.408 0.000 2.124 157 Q HA -0.154 5.332 4.340 1.910 0.000 0.202 157 Q C 2.340 178.162 176.000 -0.298 0.000 0.977 157 Q CA 2.084 57.663 55.803 -0.373 0.000 0.850 157 Q CB -0.941 27.582 28.738 -0.359 0.000 0.901 157 Q HN 0.640 nan 8.270 nan 0.000 0.429 158 T N 1.316 115.708 114.554 -0.269 0.000 2.777 158 T HA -0.110 5.386 4.350 1.910 0.000 0.266 158 T C 1.491 176.108 174.700 -0.139 0.000 1.040 158 T CA 1.088 63.086 62.100 -0.171 0.000 1.141 158 T CB -0.434 68.397 68.868 -0.061 0.000 0.868 158 T HN 0.299 nan 8.240 nan 0.000 0.444 159 F N 2.322 122.107 119.950 -0.276 0.000 2.126 159 F HA -0.117 5.554 4.527 1.908 0.000 0.299 159 F C 2.078 177.625 175.800 -0.422 0.000 1.096 159 F CA 1.350 59.185 58.000 -0.275 0.000 1.255 159 F CB -0.259 38.587 39.000 -0.257 0.000 0.997 159 F HN -0.013 nan 8.300 nan 0.000 0.479 160 K N -0.076 119.908 120.400 -0.693 0.000 2.103 160 K HA -0.221 5.245 4.320 1.910 0.000 0.207 160 K C 2.105 178.312 176.600 -0.656 0.000 1.048 160 K CA 2.033 57.642 56.287 -1.129 0.000 0.930 160 K CB -0.317 31.686 32.500 -0.828 0.000 0.716 160 K HN 0.486 nan 8.250 nan 0.000 0.444 161 Q N 0.292 119.854 119.800 -0.396 0.000 2.245 161 Q HA -0.024 5.462 4.340 1.910 0.000 0.201 161 Q C 2.033 177.901 176.000 -0.220 0.000 0.955 161 Q CA 0.731 56.391 55.803 -0.238 0.000 0.870 161 Q CB 0.075 28.711 28.738 -0.169 0.000 0.945 161 Q HN 0.298 nan 8.270 nan 0.000 0.461 162 L N 0.280 121.341 121.223 -0.269 0.000 2.201 162 L HA -0.034 5.452 4.340 1.910 0.000 0.212 162 L C 0.489 177.211 176.870 -0.247 0.000 1.105 162 L CA 0.230 54.940 54.840 -0.216 0.000 0.775 162 L CB 0.250 42.208 42.059 -0.168 0.000 0.913 162 L HN -0.028 nan 8.230 nan 0.000 0.440 163 V N 1.246 120.951 119.914 -0.349 0.000 2.406 163 V HA 0.223 5.489 4.120 1.910 0.000 0.272 163 V C -0.081 175.951 176.094 -0.104 0.000 1.043 163 V CA -0.469 61.682 62.300 -0.249 0.000 0.915 163 V CB 1.083 32.718 31.823 -0.315 0.000 0.988 163 V HN 0.047 nan 8.190 nan 0.000 0.466 164 K N 3.720 124.069 120.400 -0.086 0.000 2.502 164 K HA 0.404 5.870 4.320 1.910 0.000 0.254 164 K C 0.105 176.676 176.600 -0.048 0.000 0.947 164 K CA -0.560 55.695 56.287 -0.052 0.000 0.834 164 K CB 1.513 33.981 32.500 -0.053 0.000 1.112 164 K HN 0.780 nan 8.250 nan 0.000 0.427 165 E N 1.443 121.619 120.200 -0.039 0.000 2.252 165 E HA -0.238 5.259 4.350 1.910 0.000 0.218 165 E C -0.643 175.935 176.600 -0.036 0.000 1.253 165 E CA 0.702 57.079 56.400 -0.039 0.000 0.705 165 E CB -1.495 28.185 29.700 -0.033 0.000 1.172 165 E HN 0.775 nan 8.360 nan 0.000 0.369 166 S N -2.111 113.567 115.700 -0.036 0.000 3.011 166 S HA -0.226 5.390 4.470 1.910 0.000 0.278 166 S C 0.165 174.741 174.600 -0.040 0.000 1.300 166 S CA 1.312 59.500 58.200 -0.020 0.000 1.248 166 S CB -0.667 62.532 63.200 -0.002 0.000 1.517 166 S HN 0.516 nan 8.310 nan 0.000 0.685 167 N N 0.526 119.184 118.700 -0.069 0.000 2.430 167 N HA 0.650 6.536 4.740 1.910 0.000 0.292 167 N C -0.606 174.798 175.510 -0.178 0.000 1.051 167 N CA -0.223 52.761 53.050 -0.111 0.000 0.917 167 N CB 1.685 40.127 38.487 -0.075 0.000 1.164 167 N HN 0.439 nan 8.380 nan 0.000 0.484 168 I N 2.615 123.003 120.570 -0.302 0.000 2.545 168 I HA 0.448 5.764 4.170 1.910 0.000 0.292 168 I C -2.497 173.425 176.117 -0.326 0.000 1.040 168 I CA -2.467 58.631 61.300 -0.337 0.000 1.068 168 I CB 2.885 40.642 38.000 -0.404 0.000 1.251 168 I HN 0.280 nan 8.210 nan 0.000 0.424 169 P HA 0.210 nan 4.420 nan 0.000 0.276 169 P C -1.469 175.784 177.300 -0.077 0.000 1.252 169 P CA -0.271 62.765 63.100 -0.107 0.000 0.802 169 P CB 0.473 32.139 31.700 -0.057 0.000 1.035 170 E N 0.009 120.219 120.200 0.017 0.000 2.081 170 E HA 0.375 5.871 4.350 1.910 0.000 0.281 170 E C -0.476 176.170 176.600 0.076 0.000 0.986 170 E CA -0.656 55.806 56.400 0.104 0.000 0.796 170 E CB 0.724 30.526 29.700 0.171 0.000 1.085 170 E HN 0.258 nan 8.360 nan 0.000 0.398 171 V N 0.842 120.804 119.914 0.080 0.000 3.007 171 V HA 0.543 5.809 4.120 1.910 0.000 0.311 171 V C -0.845 175.295 176.094 0.076 0.000 1.120 171 V CA -1.190 61.148 62.300 0.065 0.000 0.980 171 V CB 2.294 34.146 31.823 0.048 0.000 1.033 171 V HN 0.411 nan 8.190 nan 0.000 0.429 172 N N 3.071 121.808 118.700 0.062 0.000 2.425 172 N HA 0.670 6.556 4.740 1.910 0.000 0.268 172 N C -1.016 174.525 175.510 0.051 0.000 0.991 172 N CA -0.088 52.998 53.050 0.060 0.000 0.931 172 N CB 1.752 40.267 38.487 0.047 0.000 1.130 172 N HN 0.782 nan 8.380 nan 0.000 0.493 173 I N 1.296 121.903 120.570 0.062 0.000 2.436 173 I HA 0.270 5.586 4.170 1.910 0.000 0.289 173 I C -0.094 176.018 176.117 -0.008 0.000 1.010 173 I CA -0.672 60.650 61.300 0.038 0.000 1.098 173 I CB 1.960 40.013 38.000 0.088 0.000 1.266 173 I HN 0.370 nan 8.210 nan 0.000 0.434 174 T N 0.706 115.232 114.554 -0.046 0.000 2.824 174 T HA 0.661 6.157 4.350 1.910 0.000 0.282 174 T C -0.974 173.632 174.700 -0.157 0.000 0.993 174 T CA -0.752 61.295 62.100 -0.087 0.000 0.967 174 T CB 2.331 71.210 68.868 0.018 0.000 0.960 174 T HN 0.433 nan 8.240 nan 0.000 0.441 175 D N 1.271 121.488 120.400 -0.305 0.000 2.753 175 D HA 0.633 6.419 4.640 1.910 0.000 0.224 175 D C -1.619 174.632 176.300 -0.082 0.000 1.213 175 D CA -0.360 53.461 54.000 -0.297 0.000 0.833 175 D CB 1.742 42.346 40.800 -0.326 0.000 1.607 175 D HN 0.755 nan 8.370 nan 0.000 0.463 176 Y N -0.872 119.366 120.300 -0.102 0.000 2.620 176 Y HA 0.568 6.264 4.550 1.909 0.000 0.331 176 Y C -3.084 172.140 175.900 -1.126 0.000 1.173 176 Y CA -1.960 55.882 58.100 -0.429 0.000 1.076 176 Y CB 0.696 38.995 38.460 -0.270 0.000 1.336 176 Y HN 0.072 nan 8.280 nan 0.000 0.459 177 P HA 0.216 nan 4.420 nan 0.000 0.277 177 P C 0.135 177.090 177.300 -0.575 0.000 1.240 177 P CA -0.107 62.087 63.100 -1.511 0.000 0.798 177 P CB 2.024 33.039 31.700 -1.140 0.000 0.979 178 T N 0.197 114.478 114.554 -0.455 0.000 2.737 178 T HA 0.007 5.503 4.350 1.910 0.000 0.265 178 T C 0.910 175.497 174.700 -0.189 0.000 1.038 178 T CA 1.124 63.075 62.100 -0.249 0.000 1.144 178 T CB -0.174 68.537 68.868 -0.262 0.000 0.866 178 T HN 0.228 nan 8.240 nan 0.000 0.434 179 V N 1.441 121.239 119.914 -0.193 0.000 2.513 179 V HA 0.291 5.557 4.120 1.910 0.000 0.299 179 V C 0.878 176.926 176.094 -0.077 0.000 1.035 179 V CA -0.455 61.785 62.300 -0.099 0.000 0.889 179 V CB 1.960 33.742 31.823 -0.068 0.000 0.988 179 V HN 0.260 nan 8.190 nan 0.000 0.440 180 S N 2.501 118.181 115.700 -0.033 0.000 2.383 180 S HA 0.066 5.683 4.470 1.910 0.000 0.227 180 S C 0.823 175.389 174.600 -0.058 0.000 1.026 180 S CA 1.070 59.255 58.200 -0.025 0.000 0.981 180 S CB 0.075 63.286 63.200 0.020 0.000 0.818 180 S HN 0.966 nan 8.310 nan 0.000 0.472 181 A N 1.788 124.518 122.820 -0.151 0.000 2.291 181 A HA 0.733 6.199 4.320 1.910 0.000 0.311 181 A C -0.363 177.064 177.584 -0.262 0.000 1.224 181 A CA -0.800 51.008 52.037 -0.381 0.000 0.821 181 A CB 0.806 19.138 19.000 -1.114 0.000 1.172 181 A HN 0.337 nan 8.150 nan 0.000 0.494 182 R N 1.837 122.266 120.500 -0.118 0.000 2.532 182 R HA 0.774 6.260 4.340 1.910 0.000 0.297 182 R C 0.237 176.529 176.300 -0.014 0.000 0.984 182 R CA -0.131 55.987 56.100 0.030 0.000 0.884 182 R CB 2.331 32.694 30.300 0.105 0.000 1.182 182 R HN 1.179 nan 8.270 nan 0.000 0.442 183 G N 1.888 110.680 108.800 -0.014 0.000 2.399 183 G HA2 0.325 5.431 3.960 1.910 0.000 0.256 183 G HA3 0.325 5.431 3.960 1.910 0.000 0.256 183 G C -1.907 172.903 174.900 -0.150 0.000 1.236 183 G CA -0.625 44.398 45.100 -0.128 0.000 0.914 183 G HN 0.268 nan 8.290 nan 0.000 0.482 184 I N 0.165 120.626 120.570 -0.181 0.000 2.509 184 I HA 0.617 5.934 4.170 1.910 0.000 0.293 184 I C -0.166 175.901 176.117 -0.082 0.000 1.020 184 I CA -1.043 60.199 61.300 -0.097 0.000 1.088 184 I CB 1.898 39.910 38.000 0.019 0.000 1.267 184 I HN 0.484 nan 8.210 nan 0.000 0.430 185 V N 6.176 125.922 119.914 -0.280 0.000 2.370 185 V HA 0.400 5.667 4.120 1.910 0.000 0.283 185 V C 0.262 176.100 176.094 -0.427 0.000 1.023 185 V CA -0.372 61.654 62.300 -0.457 0.000 0.857 185 V CB 1.404 32.670 31.823 -0.927 0.000 0.985 185 V HN 0.862 nan 8.190 nan 0.000 0.443 186 E N 4.736 124.693 120.200 -0.406 0.000 1.999 186 E HA 0.274 5.771 4.350 1.910 0.000 0.296 186 E C 0.933 177.058 176.600 -0.793 0.000 1.187 186 E CA 0.420 56.452 56.400 -0.614 0.000 1.229 186 E CB -0.102 29.254 29.700 -0.573 0.000 1.131 186 E HN 0.953 nan 8.360 nan 0.000 0.478 187 G N 3.120 111.553 108.800 -0.612 0.000 3.453 187 G HA2 0.073 5.179 3.960 1.910 0.000 0.263 187 G HA3 0.073 5.179 3.960 1.910 0.000 0.263 187 G C -0.002 174.707 174.900 -0.319 0.000 1.060 187 G CA -0.452 44.421 45.100 -0.378 0.000 0.793 187 G HN 0.390 nan 8.290 nan 0.000 0.532 188 F N -0.359 119.443 119.950 -0.247 0.000 2.389 188 F HA 0.713 6.358 4.527 1.863 0.000 0.337 188 F C 0.010 175.682 175.800 -0.214 0.000 1.112 188 F CA -2.511 55.392 58.000 -0.161 0.000 1.192 188 F CB 0.301 39.220 39.000 -0.136 0.000 1.185 188 F HN -0.017 nan 8.300 nan 0.000 0.552 189 Y N 1.427 121.827 120.300 0.167 0.000 2.357 189 Y HA 0.490 6.191 4.550 1.918 0.000 0.340 189 Y C 1.085 177.117 175.900 0.219 0.000 1.260 189 Y CA 0.755 58.926 58.100 0.118 0.000 1.425 189 Y CB 0.651 39.176 38.460 0.108 0.000 1.326 189 Y HN 1.140 nan 8.280 nan 0.000 0.580 190 G N -0.033 108.954 108.800 0.311 0.000 2.409 190 G HA2 -0.145 4.962 3.960 1.910 0.000 0.421 190 G HA3 -0.145 4.962 3.960 1.910 0.000 0.421 190 G C -0.982 174.036 174.900 0.196 0.000 1.259 190 G CA -0.907 44.325 45.100 0.220 0.000 1.011 190 G HN 0.568 nan 8.290 nan 0.000 0.497 191 T N 3.699 118.342 114.554 0.149 0.000 2.829 191 T HA 0.459 5.955 4.350 1.910 0.000 0.293 191 T C -1.895 172.951 174.700 0.244 0.000 0.970 191 T CA 0.248 62.437 62.100 0.147 0.000 1.168 191 T CB 0.842 69.772 68.868 0.104 0.000 0.911 191 T HN 0.495 nan 8.240 nan 0.000 0.535 192 P HA 0.062 nan 4.420 nan 0.000 0.269 192 P C -0.172 177.369 177.300 0.402 0.000 1.215 192 P CA -0.608 62.633 63.100 0.233 0.000 0.780 192 P CB 0.396 32.172 31.700 0.126 0.000 0.898 193 W N 1.588 123.062 121.300 0.291 0.000 2.193 193 W HA 0.088 5.678 4.660 1.549 0.000 0.338 193 W C 1.080 177.703 176.519 0.175 0.000 1.310 193 W CA -0.226 57.251 57.345 0.220 0.000 1.243 193 W CB -0.980 28.632 29.460 0.254 0.000 1.165 193 W HN 0.324 nan 8.180 nan 0.000 0.566 194 T N -1.144 113.616 114.554 0.343 0.000 2.788 194 T HA -0.009 5.487 4.350 1.910 0.000 0.287 194 T C 1.095 175.958 174.700 0.271 0.000 1.007 194 T CA 0.091 62.344 62.100 0.255 0.000 1.005 194 T CB 0.916 69.880 68.868 0.161 0.000 1.012 194 T HN 0.502 nan 8.240 nan 0.000 0.530 195 H N 0.602 119.770 119.070 0.165 0.000 2.352 195 H HA -0.086 5.623 4.556 1.920 0.000 0.299 195 H C 2.232 177.612 175.328 0.087 0.000 1.097 195 H CA 2.247 58.382 56.048 0.145 0.000 1.311 195 H CB -0.074 29.753 29.762 0.108 0.000 1.377 195 H HN 0.526 nan 8.280 nan 0.000 0.504 196 Q N 0.242 120.047 119.800 0.009 0.000 2.119 196 Q HA -0.112 5.374 4.340 1.910 0.000 0.201 196 Q C 1.847 177.769 176.000 -0.130 0.000 0.972 196 Q CA 1.266 57.018 55.803 -0.085 0.000 0.847 196 Q CB -0.195 28.528 28.738 -0.026 0.000 0.903 196 Q HN 0.618 nan 8.270 nan 0.000 0.433 197 D N 0.601 120.941 120.400 -0.101 0.000 2.116 197 D HA -0.169 5.617 4.640 1.910 0.000 0.193 197 D C 2.045 178.180 176.300 -0.274 0.000 0.998 197 D CA 1.175 55.038 54.000 -0.228 0.000 0.836 197 D CB -0.134 40.518 40.800 -0.246 0.000 0.951 197 D HN 0.227 nan 8.370 nan 0.000 0.449 198 R N 0.058 120.503 120.500 -0.092 0.000 2.075 198 R HA 0.007 5.493 4.340 1.910 0.000 0.232 198 R C 2.641 178.815 176.300 -0.210 0.000 1.126 198 R CA 0.574 56.645 56.100 -0.049 0.000 0.963 198 R CB -0.381 30.050 30.300 0.219 0.000 0.858 198 R HN 0.207 nan 8.270 nan 0.000 0.435 199 L N 0.468 121.549 121.223 -0.237 0.000 2.042 199 L HA -0.220 5.266 4.340 1.910 0.000 0.210 199 L C 2.134 178.873 176.870 -0.217 0.000 1.076 199 L CA 1.597 56.300 54.840 -0.228 0.000 0.749 199 L CB -0.473 41.437 42.059 -0.248 0.000 0.893 199 L HN 0.231 nan 8.230 nan 0.000 0.432 200 D N -1.093 119.167 120.400 -0.234 0.000 2.117 200 D HA -0.198 5.588 4.640 1.910 0.000 0.198 200 D C 2.284 178.404 176.300 -0.301 0.000 0.982 200 D CA 0.895 54.758 54.000 -0.229 0.000 0.828 200 D CB 0.205 40.866 40.800 -0.232 0.000 0.967 200 D HN 0.155 nan 8.370 nan 0.000 0.464 201 Q N 0.154 119.686 119.800 -0.448 0.000 2.020 201 Q HA -0.131 5.355 4.340 1.910 0.000 0.202 201 Q C 2.619 177.961 176.000 -1.096 0.000 0.982 201 Q CA 0.948 56.330 55.803 -0.702 0.000 0.838 201 Q CB -0.378 27.939 28.738 -0.702 0.000 0.899 201 Q HN 0.505 nan 8.270 nan 0.000 0.423 202 I N 0.894 121.006 120.570 -0.763 0.000 2.151 202 I HA -0.339 4.977 4.170 1.910 0.000 0.243 202 I C 2.346 178.331 176.117 -0.219 0.000 1.080 202 I CA 1.449 62.476 61.300 -0.456 0.000 1.339 202 I CB -0.289 37.607 38.000 -0.173 0.000 1.039 202 I HN 0.189 nan 8.210 nan 0.000 0.409 203 K N 0.045 120.353 120.400 -0.152 0.000 2.097 203 K HA -0.200 5.266 4.320 1.910 0.000 0.206 203 K C 2.127 178.755 176.600 0.046 0.000 1.049 203 K CA 1.488 57.767 56.287 -0.013 0.000 0.933 203 K CB -0.304 32.189 32.500 -0.011 0.000 0.717 203 K HN 0.171 nan 8.250 nan 0.000 0.442 204 F N 0.929 120.769 119.950 -0.182 0.000 2.171 204 F HA -0.233 5.397 4.527 1.838 0.000 0.300 204 F C 1.679 177.529 175.800 0.084 0.000 1.090 204 F CA 1.346 59.296 58.000 -0.084 0.000 1.293 204 F CB -0.187 38.727 39.000 -0.142 0.000 1.013 204 F HN -0.012 nan 8.300 nan 0.000 0.486 205 Y N 0.379 120.680 120.300 0.002 0.000 2.145 205 Y HA 0.009 4.732 4.550 0.288 0.000 0.286 205 Y C 2.818 178.720 175.900 0.004 0.000 1.145 205 Y CA 0.589 58.657 58.100 -0.054 0.000 1.148 205 Y CB -1.697 36.805 38.460 0.071 0.000 0.981 205 Y HN 0.089 nan 8.280 nan 0.000 0.507 206 G N -0.036 108.922 108.800 0.262 0.000 2.440 206 G HA2 -0.245 4.861 3.960 1.910 0.000 0.218 206 G HA3 -0.245 4.861 3.960 1.910 0.000 0.218 206 G C 1.490 176.555 174.900 0.275 0.000 1.154 206 G CA 1.007 46.364 45.100 0.428 0.000 0.767 206 G HN 0.457 nan 8.290 nan 0.000 0.552 207 E N 0.359 120.592 120.200 0.055 0.000 2.204 207 E HA -0.032 5.464 4.350 1.910 0.000 0.194 207 E C 1.465 177.948 176.600 -0.195 0.000 0.989 207 E CA 0.537 56.885 56.400 -0.087 0.000 0.824 207 E CB 0.026 29.688 29.700 -0.063 0.000 0.756 207 E HN 0.402 nan 8.360 nan 0.000 0.477 208 N N 0.224 118.769 118.700 -0.259 0.000 2.203 208 N HA 0.071 5.957 4.740 1.910 0.000 0.207 208 N C -0.518 174.779 175.510 -0.354 0.000 1.130 208 N CA 0.120 52.946 53.050 -0.373 0.000 0.861 208 N CB 0.759 38.922 38.487 -0.540 0.000 1.005 208 N HN 0.014 nan 8.380 nan 0.000 0.507 209 K N 0.399 120.647 120.400 -0.254 0.000 3.291 209 K HA -0.128 5.338 4.320 1.910 0.000 0.290 209 K C -0.659 175.836 176.600 -0.174 0.000 1.235 209 K CA 0.393 56.393 56.287 -0.479 0.000 0.848 209 K CB -1.691 30.120 32.500 -1.147 0.000 1.295 209 K HN 0.205 nan 8.250 nan 0.000 0.497 210 L N 1.805 123.028 121.223 -0.000 0.000 2.276 210 L HA 0.182 5.669 4.340 1.910 0.000 0.286 210 L C 1.268 178.236 176.870 0.163 0.000 1.061 210 L CA -0.445 54.427 54.840 0.054 0.000 0.807 210 L CB 0.620 42.663 42.059 -0.027 0.000 1.177 210 L HN 0.214 nan 8.230 nan 0.000 0.429 211 N N -0.058 118.729 118.700 0.146 0.000 2.200 211 N HA 0.059 5.945 4.740 1.910 0.000 0.224 211 N C -0.445 175.136 175.510 0.117 0.000 1.179 211 N CA -0.331 52.835 53.050 0.192 0.000 0.877 211 N CB 0.884 39.516 38.487 0.242 0.000 1.072 211 N HN 0.393 nan 8.380 nan 0.000 0.519 212 T N 0.759 115.354 114.554 0.067 0.000 2.937 212 T HA 0.236 5.732 4.350 1.910 0.000 0.297 212 T C -2.146 172.627 174.700 0.122 0.000 0.991 212 T CA -0.450 61.682 62.100 0.053 0.000 0.990 212 T CB 1.300 70.106 68.868 -0.102 0.000 0.991 212 T HN 0.182 nan 8.240 nan 0.000 0.440 213 Y N 4.253 124.582 120.300 0.049 0.000 2.327 213 Y HA 0.600 6.422 4.550 2.121 0.000 0.325 213 Y C -1.245 174.627 175.900 -0.047 0.000 0.999 213 Y CA -1.716 56.423 58.100 0.064 0.000 1.195 213 Y CB 0.556 39.194 38.460 0.297 0.000 1.132 213 Y HN 0.623 nan 8.280 nan 0.000 0.455 214 I N 7.782 128.116 120.570 -0.393 0.000 2.291 214 I HA 0.083 5.399 4.170 1.910 0.000 0.292 214 I C -0.821 174.818 176.117 -0.796 0.000 1.064 214 I CA -0.677 60.317 61.300 -0.510 0.000 1.269 214 I CB 0.225 38.079 38.000 -0.243 0.000 1.418 214 I HN 0.616 nan 8.210 nan 0.000 0.485 215 Y N 7.210 126.835 120.300 -1.125 0.000 2.585 215 Y HA 0.447 6.125 4.550 1.881 0.000 0.354 215 Y C 0.424 175.893 175.900 -0.718 0.000 1.024 215 Y CA -0.460 57.066 58.100 -0.957 0.000 1.321 215 Y CB 0.597 38.483 38.460 -0.956 0.000 1.151 215 Y HN 0.618 nan 8.280 nan 0.000 0.525 216 A N 8.135 130.383 122.820 -0.952 0.000 3.292 216 A HA 0.347 5.813 4.320 1.910 0.000 0.231 216 A C -2.982 173.879 177.584 -1.205 0.000 0.952 216 A CA -1.078 50.354 52.037 -1.008 0.000 1.044 216 A CB -0.245 18.489 19.000 -0.444 0.000 1.236 216 A HN 0.504 nan 8.150 nan 0.000 0.525 217 P HA 0.110 nan 4.420 nan 0.000 0.271 217 P C 0.505 177.393 177.300 -0.687 0.000 1.220 217 P CA 0.048 62.638 63.100 -0.851 0.000 0.768 217 P CB 1.065 32.386 31.700 -0.631 0.000 0.848 218 K N 2.004 122.093 120.400 -0.518 0.000 2.160 218 K HA -0.152 5.314 4.320 1.910 0.000 0.206 218 K C 0.447 177.001 176.600 -0.076 0.000 1.047 218 K CA 1.549 57.695 56.287 -0.235 0.000 0.930 218 K CB -0.453 31.924 32.500 -0.205 0.000 0.720 218 K HN 0.451 nan 8.250 nan 0.000 0.450 219 D N 0.790 121.131 120.400 -0.098 0.000 2.342 219 D HA -0.017 5.769 4.640 1.910 0.000 0.221 219 D C -0.361 175.972 176.300 0.055 0.000 1.101 219 D CA 0.201 54.201 54.000 0.001 0.000 0.837 219 D CB 0.058 40.870 40.800 0.021 0.000 0.938 219 D HN 0.042 nan 8.370 nan 0.000 0.508 220 D N 0.032 120.467 120.400 0.059 0.000 2.359 220 D HA 0.131 5.917 4.640 1.910 0.000 0.230 220 D C -1.712 174.700 176.300 0.187 0.000 1.118 220 D CA -2.309 51.812 54.000 0.202 0.000 0.844 220 D CB 1.970 42.954 40.800 0.306 0.000 1.059 220 D HN -0.127 nan 8.370 nan 0.000 0.493 221 P HA -0.148 nan 4.420 nan 0.000 0.216 221 P C 0.760 177.936 177.300 -0.206 0.000 1.150 221 P CA 1.164 64.168 63.100 -0.159 0.000 0.843 221 P CB -0.029 31.422 31.700 -0.414 0.000 0.787 222 Y N -2.176 118.155 120.300 0.051 0.000 2.639 222 Y HA -0.140 5.554 4.550 1.907 0.000 0.297 222 Y C 2.499 178.536 175.900 0.228 0.000 1.151 222 Y CA 1.078 59.145 58.100 -0.056 0.000 1.335 222 Y CB -1.245 36.824 38.460 -0.652 0.000 0.994 222 Y HN 0.254 nan 8.280 nan 0.000 0.548 223 H N -0.614 118.602 119.070 0.244 0.000 2.497 223 H HA 0.153 5.862 4.556 1.921 0.000 0.282 223 H C 2.185 177.544 175.328 0.052 0.000 1.003 223 H CA 1.181 57.292 56.048 0.105 0.000 1.307 223 H CB 0.342 30.029 29.762 -0.124 0.000 1.437 223 H HN 0.170 nan 8.280 nan 0.000 0.544 224 R N -0.832 119.513 120.500 -0.259 0.000 4.870 224 R HA 0.091 5.577 4.340 1.910 0.000 0.117 224 R C 1.491 177.810 176.300 0.031 0.000 0.874 224 R CA 0.450 56.394 56.100 -0.260 0.000 0.913 224 R CB 0.093 30.160 30.300 -0.388 0.000 1.441 224 R HN 0.114 nan 8.270 nan 0.000 0.411 225 E N 1.261 121.447 120.200 -0.024 0.000 2.171 225 E HA -0.130 5.367 4.350 1.910 0.000 0.197 225 E C 0.223 176.758 176.600 -0.109 0.000 0.997 225 E CA 1.424 57.801 56.400 -0.038 0.000 0.810 225 E CB 0.138 29.795 29.700 -0.072 0.000 0.738 225 E HN 0.200 nan 8.360 nan 0.000 0.467 226 K N 0.111 120.401 120.400 -0.183 0.000 3.084 226 K HA 0.076 5.543 4.320 1.910 0.000 0.210 226 K C 0.497 176.976 176.600 -0.202 0.000 1.137 226 K CA -0.296 55.812 56.287 -0.300 0.000 1.010 226 K CB 0.223 32.411 32.500 -0.520 0.000 0.806 226 K HN 0.248 nan 8.250 nan 0.000 0.460 227 W N 0.879 122.093 121.300 -0.142 0.000 2.350 227 W HA -0.189 5.616 4.660 1.908 0.000 0.289 227 W C 0.805 177.284 176.519 -0.067 0.000 1.215 227 W CA 0.582 57.875 57.345 -0.086 0.000 1.236 227 W CB -0.526 28.851 29.460 -0.139 0.000 1.130 227 W HN 0.060 nan 8.180 nan 0.000 0.541 228 R N 1.024 120.977 120.500 -0.910 0.000 2.115 228 R HA -0.025 5.461 4.340 1.910 0.000 0.230 228 R C 0.518 176.587 176.300 -0.385 0.000 1.111 228 R CA 1.005 56.584 56.100 -0.869 0.000 0.976 228 R CB -0.292 29.214 30.300 -1.324 0.000 0.870 228 R HN 0.258 nan 8.270 nan 0.000 0.445 229 E N 1.672 121.711 120.200 -0.268 0.000 2.289 229 E HA 0.152 5.648 4.350 1.910 0.000 0.278 229 E C -2.366 174.230 176.600 -0.007 0.000 1.032 229 E CA -2.256 54.085 56.400 -0.099 0.000 0.854 229 E CB 0.938 30.628 29.700 -0.016 0.000 1.046 229 E HN -0.023 nan 8.360 nan 0.000 0.409 230 P HA -0.011 nan 4.420 nan 0.000 0.274 230 P C -0.988 176.196 177.300 -0.194 0.000 1.237 230 P CA -0.226 62.836 63.100 -0.065 0.000 0.793 230 P CB 0.336 32.029 31.700 -0.011 0.000 0.977 231 Y N 1.836 121.985 120.300 -0.253 0.000 2.620 231 Y HA 0.055 5.751 4.550 1.911 0.000 0.330 231 Y C -1.079 174.629 175.900 -0.319 0.000 1.186 231 Y CA -0.663 57.146 58.100 -0.484 0.000 1.467 231 Y CB -0.839 37.410 38.460 -0.351 0.000 1.262 231 Y HN 0.356 nan 8.280 nan 0.000 0.550 232 P HA -0.034 nan 4.420 nan 0.000 0.275 232 P C 0.568 177.849 177.300 -0.033 0.000 1.266 232 P CA -0.244 62.813 63.100 -0.072 0.000 0.793 232 P CB 0.929 32.610 31.700 -0.032 0.000 1.074 233 E N 0.306 120.496 120.200 -0.016 0.000 2.153 233 E HA -0.117 5.379 4.350 1.910 0.000 0.194 233 E C 1.722 178.312 176.600 -0.017 0.000 0.988 233 E CA 1.429 57.819 56.400 -0.016 0.000 0.811 233 E CB -0.270 29.424 29.700 -0.009 0.000 0.746 233 E HN 0.367 nan 8.360 nan 0.000 0.466 234 S N 1.068 116.766 115.700 -0.003 0.000 2.400 234 S HA -0.130 5.487 4.470 1.910 0.000 0.232 234 S C 1.492 176.089 174.600 -0.006 0.000 1.025 234 S CA 0.972 59.174 58.200 0.004 0.000 0.993 234 S CB -0.078 63.140 63.200 0.030 0.000 0.808 234 S HN 0.246 nan 8.310 nan 0.000 0.478 235 E N 0.140 120.336 120.200 -0.006 0.000 2.472 235 E HA 0.247 5.743 4.350 1.910 0.000 0.196 235 E C 1.513 178.041 176.600 -0.121 0.000 1.033 235 E CA -0.054 56.335 56.400 -0.019 0.000 0.886 235 E CB -0.172 29.590 29.700 0.104 0.000 0.944 235 E HN 0.390 nan 8.360 nan 0.000 0.492 236 M N 1.132 120.671 119.600 -0.102 0.000 2.067 236 M HA -0.236 5.390 4.480 1.910 0.000 0.260 236 M C 2.341 178.552 176.300 -0.149 0.000 1.069 236 M CA 1.811 57.030 55.300 -0.135 0.000 1.117 236 M CB -0.276 32.275 32.600 -0.083 0.000 1.334 236 M HN 0.005 nan 8.290 nan 0.000 0.407 237 Q N -0.163 119.570 119.800 -0.112 0.000 2.045 237 Q HA -0.251 5.235 4.340 1.910 0.000 0.206 237 Q C 2.155 178.076 176.000 -0.133 0.000 0.991 237 Q CA 2.485 58.226 55.803 -0.103 0.000 0.851 237 Q CB -0.430 28.261 28.738 -0.077 0.000 0.911 237 Q HN 0.523 nan 8.270 nan 0.000 0.418 238 R N -0.884 119.505 120.500 -0.184 0.000 2.094 238 R HA -0.172 5.314 4.340 1.910 0.000 0.239 238 R C 2.141 178.340 176.300 -0.168 0.000 1.137 238 R CA 2.067 58.001 56.100 -0.276 0.000 0.943 238 R CB -0.213 29.891 30.300 -0.326 0.000 0.850 238 R HN 0.372 nan 8.270 nan 0.000 0.433 239 M N 0.369 119.808 119.600 -0.269 0.000 2.117 239 M HA -0.167 5.459 4.480 1.910 0.000 0.262 239 M C 2.213 178.301 176.300 -0.353 0.000 1.065 239 M CA 1.562 56.629 55.300 -0.388 0.000 1.114 239 M CB -0.985 31.237 32.600 -0.629 0.000 1.361 239 M HN 0.160 nan 8.290 nan 0.000 0.408 240 Q N 0.873 120.518 119.800 -0.260 0.000 2.030 240 Q HA -0.158 5.328 4.340 1.910 0.000 0.204 240 Q C 1.804 177.703 176.000 -0.169 0.000 0.986 240 Q CA 1.929 57.604 55.803 -0.213 0.000 0.843 240 Q CB -0.273 28.377 28.738 -0.148 0.000 0.904 240 Q HN 0.539 nan 8.270 nan 0.000 0.420 241 E N -0.447 119.701 120.200 -0.085 0.000 2.114 241 E HA -0.228 5.268 4.350 1.910 0.000 0.199 241 E C 1.997 178.566 176.600 -0.051 0.000 1.008 241 E CA 1.480 57.871 56.400 -0.014 0.000 0.810 241 E CB -0.254 29.528 29.700 0.136 0.000 0.739 241 E HN 0.361 nan 8.360 nan 0.000 0.456 242 L N 0.258 121.435 121.223 -0.076 0.000 2.027 242 L HA -0.166 5.320 4.340 1.910 0.000 0.206 242 L C 2.477 179.186 176.870 -0.269 0.000 1.074 242 L CA 0.834 55.611 54.840 -0.106 0.000 0.745 242 L CB -0.350 41.682 42.059 -0.044 0.000 0.898 242 L HN 0.142 nan 8.230 nan 0.000 0.433 243 I N 0.182 120.425 120.570 -0.546 0.000 2.226 243 I HA -0.280 5.036 4.170 1.910 0.000 0.245 243 I C 2.191 178.169 176.117 -0.230 0.000 1.100 243 I CA 1.173 62.140 61.300 -0.556 0.000 1.374 243 I CB -0.379 37.278 38.000 -0.572 0.000 1.057 243 I HN 0.332 nan 8.210 nan 0.000 0.413 244 N N 1.133 119.728 118.700 -0.175 0.000 2.142 244 N HA -0.100 5.786 4.740 1.910 0.000 0.186 244 N C 1.919 177.388 175.510 -0.068 0.000 1.023 244 N CA 1.558 54.545 53.050 -0.104 0.000 0.852 244 N CB -0.580 37.856 38.487 -0.085 0.000 0.998 244 N HN 0.338 nan 8.380 nan 0.000 0.424 245 A N 0.731 123.516 122.820 -0.059 0.000 1.908 245 A HA -0.130 5.336 4.320 1.910 0.000 0.218 245 A C 2.454 180.037 177.584 -0.002 0.000 1.181 245 A CA 1.903 53.922 52.037 -0.031 0.000 0.627 245 A CB -0.830 18.146 19.000 -0.040 0.000 0.818 245 A HN 0.278 nan 8.150 nan 0.000 0.445 246 S N 0.034 115.756 115.700 0.037 0.000 2.353 246 S HA -0.111 5.505 4.470 1.910 0.000 0.222 246 S C 2.351 176.969 174.600 0.031 0.000 1.035 246 S CA 1.418 59.687 58.200 0.114 0.000 1.025 246 S CB -0.635 62.729 63.200 0.273 0.000 0.902 246 S HN 0.842 nan 8.310 nan 0.000 0.440 247 A N 1.651 124.464 122.820 -0.013 0.000 1.883 247 A HA -0.172 5.295 4.320 1.910 0.000 0.217 247 A C 1.976 179.490 177.584 -0.116 0.000 1.186 247 A CA 1.593 53.596 52.037 -0.058 0.000 0.624 247 A CB -0.665 18.299 19.000 -0.060 0.000 0.822 247 A HN 0.580 nan 8.150 nan 0.000 0.444 248 E N -0.146 119.999 120.200 -0.091 0.000 2.265 248 E HA -0.124 5.372 4.350 1.910 0.000 0.196 248 E C 0.675 177.168 176.600 -0.178 0.000 0.996 248 E CA 0.886 57.229 56.400 -0.095 0.000 0.832 248 E CB -0.133 29.548 29.700 -0.032 0.000 0.756 248 E HN 0.557 nan 8.360 nan 0.000 0.491 249 N N 0.296 118.879 118.700 -0.194 0.000 2.214 249 N HA 0.012 5.898 4.740 1.910 0.000 0.214 249 N C -0.449 174.719 175.510 -0.570 0.000 1.132 249 N CA 0.096 52.980 53.050 -0.276 0.000 0.856 249 N CB 0.750 39.263 38.487 0.043 0.000 1.020 249 N HN -0.068 nan 8.380 nan 0.000 0.509 250 K N -0.227 119.833 120.400 -0.567 0.000 3.160 250 K HA -0.117 5.349 4.320 1.910 0.000 0.280 250 K C -0.641 175.913 176.600 -0.077 0.000 1.154 250 K CA 0.295 56.330 56.287 -0.420 0.000 0.822 250 K CB -2.298 29.752 32.500 -0.751 0.000 1.239 250 K HN 0.026 nan 8.250 nan 0.000 0.489 251 V N 1.960 121.883 119.914 0.014 0.000 2.370 251 V HA 0.152 5.418 4.120 1.910 0.000 0.279 251 V C 0.548 176.743 176.094 0.170 0.000 1.029 251 V CA -0.796 61.597 62.300 0.155 0.000 0.870 251 V CB 1.635 33.613 31.823 0.259 0.000 0.984 251 V HN 0.066 nan 8.190 nan 0.000 0.451 252 D N 4.169 124.669 120.400 0.166 0.000 2.358 252 D HA 0.086 5.873 4.640 1.910 0.000 0.258 252 D C -0.339 176.104 176.300 0.237 0.000 1.223 252 D CA 0.215 54.320 54.000 0.174 0.000 0.886 252 D CB 0.963 41.844 40.800 0.135 0.000 1.120 252 D HN 0.446 nan 8.370 nan 0.000 0.482 253 F N 3.790 123.800 119.950 0.101 0.000 2.405 253 F HA 0.179 5.848 4.527 1.902 0.000 0.358 253 F C -0.421 175.389 175.800 0.016 0.000 1.151 253 F CA -0.683 57.377 58.000 0.100 0.000 1.161 253 F CB 0.456 39.503 39.000 0.079 0.000 1.245 253 F HN -0.014 nan 8.300 nan 0.000 0.545 254 V N 7.816 127.520 119.914 -0.350 0.000 2.406 254 V HA 0.106 5.373 4.120 1.910 0.000 0.272 254 V C -0.158 175.647 176.094 -0.481 0.000 1.043 254 V CA -0.642 61.487 62.300 -0.285 0.000 0.915 254 V CB 0.673 32.424 31.823 -0.119 0.000 0.988 254 V HN 0.606 nan 8.190 nan 0.000 0.466 255 F N 3.951 123.634 119.950 -0.445 0.000 2.424 255 F HA 0.637 6.312 4.527 1.913 0.000 0.356 255 F C 0.914 176.616 175.800 -0.162 0.000 1.110 255 F CA -0.324 57.535 58.000 -0.236 0.000 1.161 255 F CB 0.888 39.855 39.000 -0.056 0.000 1.115 255 F HN 0.552 nan 8.300 nan 0.000 0.507 256 G N 8.081 116.447 108.800 -0.724 0.000 2.329 256 G HA2 0.492 5.598 3.960 1.910 0.000 0.309 256 G HA3 0.492 5.598 3.960 1.910 0.000 0.309 256 G C -0.746 173.821 174.900 -0.556 0.000 1.110 256 G CA -0.620 44.082 45.100 -0.663 0.000 0.923 256 G HN 0.681 nan 8.290 nan 0.000 0.430 257 I N 1.350 121.642 120.570 -0.464 0.000 2.377 257 I HA 0.308 5.624 4.170 1.910 0.000 0.293 257 I C -0.031 175.739 176.117 -0.579 0.000 0.987 257 I CA -0.616 60.486 61.300 -0.331 0.000 1.185 257 I CB 2.079 39.983 38.000 -0.161 0.000 1.341 257 I HN 0.229 nan 8.210 nan 0.000 0.455 258 S N 7.384 122.730 115.700 -0.591 0.000 2.426 258 S HA 0.293 5.909 4.470 1.910 0.000 0.236 258 S C -1.731 172.465 174.600 -0.672 0.000 1.368 258 S CA -0.962 56.901 58.200 -0.560 0.000 1.154 258 S CB 0.869 63.832 63.200 -0.396 0.000 1.037 258 S HN 0.554 nan 8.310 nan 0.000 0.481 259 P HA 0.108 nan 4.420 nan 0.000 0.245 259 P C 1.522 178.400 177.300 -0.702 0.000 1.206 259 P CA 0.202 62.396 63.100 -1.509 0.000 0.781 259 P CB -0.032 30.544 31.700 -1.873 0.000 0.994 260 G N 1.220 109.798 108.800 -0.370 0.000 2.499 260 G HA2 -0.277 4.829 3.960 1.910 0.000 0.221 260 G HA3 -0.277 4.829 3.960 1.910 0.000 0.221 260 G C 1.449 176.345 174.900 -0.006 0.000 1.109 260 G CA 0.215 45.288 45.100 -0.046 0.000 0.749 260 G HN 0.313 nan 8.290 nan 0.000 0.568 261 I N 0.824 121.366 120.570 -0.048 0.000 2.194 261 I HA -0.185 5.131 4.170 1.910 0.000 0.246 261 I C 1.216 177.384 176.117 0.086 0.000 1.093 261 I CA 2.272 63.592 61.300 0.033 0.000 1.355 261 I CB 0.177 38.204 38.000 0.046 0.000 1.046 261 I HN 0.391 nan 8.210 nan 0.000 0.413 262 D N -1.138 119.344 120.400 0.137 0.000 2.755 262 D HA 0.127 5.914 4.640 1.910 0.000 0.293 262 D C 0.119 176.532 176.300 0.188 0.000 1.642 262 D CA -0.370 53.725 54.000 0.159 0.000 0.825 262 D CB -1.099 39.797 40.800 0.160 0.000 1.303 262 D HN 0.222 nan 8.370 nan 0.000 0.434 263 I N 1.095 121.730 120.570 0.109 0.000 2.588 263 I HA 0.249 5.565 4.170 1.910 0.000 0.283 263 I C -0.173 175.802 176.117 -0.237 0.000 1.119 263 I CA -0.164 61.138 61.300 0.003 0.000 1.419 263 I CB 0.410 38.259 38.000 -0.253 0.000 1.394 263 I HN -0.101 nan 8.210 nan 0.000 0.562 264 R N 5.700 126.083 120.500 -0.195 0.000 2.604 264 R HA 0.398 5.885 4.340 1.910 0.000 0.287 264 R C -0.566 175.540 176.300 -0.323 0.000 0.970 264 R CA -0.402 55.587 56.100 -0.185 0.000 0.946 264 R CB 1.365 31.674 30.300 0.015 0.000 1.127 264 R HN 0.550 nan 8.270 nan 0.000 0.473 265 F N -0.937 119.095 119.950 0.137 0.000 2.637 265 F HA 0.204 5.876 4.527 1.909 0.000 0.284 265 F C 0.329 176.175 175.800 0.076 0.000 1.105 265 F CA -0.073 57.994 58.000 0.112 0.000 1.356 265 F CB 0.539 39.584 39.000 0.076 0.000 1.096 265 F HN 0.324 nan 8.300 nan 0.000 0.616 266 D N 0.085 120.623 120.400 0.229 0.000 2.229 266 D HA 0.447 6.233 4.640 1.910 0.000 0.249 266 D C 0.914 177.273 176.300 0.099 0.000 1.027 266 D CA 0.846 54.930 54.000 0.139 0.000 0.923 266 D CB 1.355 42.220 40.800 0.109 0.000 1.174 266 D HN 0.276 nan 8.370 nan 0.000 0.443 267 G N 2.247 111.090 108.800 0.073 0.000 2.564 267 G HA2 -0.316 4.791 3.960 1.910 0.000 0.273 267 G HA3 -0.316 4.791 3.960 1.910 0.000 0.273 267 G C 0.638 175.572 174.900 0.057 0.000 1.242 267 G CA 0.335 45.468 45.100 0.055 0.000 0.951 267 G HN 0.505 nan 8.290 nan 0.000 0.564 268 D N 0.433 120.862 120.400 0.048 0.000 2.117 268 D HA 0.104 5.890 4.640 1.910 0.000 0.198 268 D C 2.844 179.177 176.300 0.055 0.000 0.982 268 D CA 2.126 56.153 54.000 0.044 0.000 0.828 268 D CB -0.779 40.041 40.800 0.033 0.000 0.967 268 D HN 0.789 nan 8.370 nan 0.000 0.464 269 A N 0.940 123.797 122.820 0.061 0.000 1.908 269 A HA -0.069 5.398 4.320 1.910 0.000 0.218 269 A C 2.385 180.026 177.584 0.095 0.000 1.181 269 A CA 2.173 54.253 52.037 0.072 0.000 0.627 269 A CB -1.122 17.918 19.000 0.068 0.000 0.818 269 A HN 0.307 nan 8.150 nan 0.000 0.445 270 G N -0.646 108.215 108.800 0.101 0.000 2.422 270 G HA2 -0.226 4.881 3.960 1.910 0.000 0.218 270 G HA3 -0.226 4.881 3.960 1.910 0.000 0.218 270 G C 1.476 176.478 174.900 0.171 0.000 1.146 270 G CA 1.362 46.541 45.100 0.132 0.000 0.769 270 G HN 0.579 nan 8.290 nan 0.000 0.547 271 E N 0.713 120.991 120.200 0.130 0.000 2.072 271 E HA -0.086 5.411 4.350 1.910 0.000 0.190 271 E C 2.295 178.974 176.600 0.131 0.000 0.982 271 E CA 1.488 57.969 56.400 0.135 0.000 0.803 271 E CB -0.310 29.437 29.700 0.079 0.000 0.755 271 E HN 0.611 nan 8.360 nan 0.000 0.453 272 E N 0.145 120.386 120.200 0.068 0.000 2.058 272 E HA -0.246 5.250 4.350 1.910 0.000 0.194 272 E C 1.375 177.966 176.600 -0.014 0.000 0.997 272 E CA 1.818 58.199 56.400 -0.032 0.000 0.801 272 E CB -0.230 29.455 29.700 -0.025 0.000 0.746 272 E HN 0.204 nan 8.360 nan 0.000 0.450 273 D N -0.290 120.216 120.400 0.178 0.000 2.144 273 D HA -0.151 5.635 4.640 1.910 0.000 0.199 273 D C 1.573 178.106 176.300 0.389 0.000 0.984 273 D CA 0.871 55.079 54.000 0.347 0.000 0.834 273 D CB -0.378 40.649 40.800 0.378 0.000 0.955 273 D HN 0.271 nan 8.370 nan 0.000 0.465 274 F N 1.482 121.555 119.950 0.205 0.000 2.186 274 F HA -0.113 5.561 4.527 1.911 0.000 0.299 274 F C 1.823 177.726 175.800 0.172 0.000 1.090 274 F CA 0.968 59.095 58.000 0.212 0.000 1.307 274 F CB 0.002 39.109 39.000 0.178 0.000 1.019 274 F HN -0.141 nan 8.300 nan 0.000 0.489 275 N N -0.474 118.305 118.700 0.132 0.000 2.270 275 N HA -0.162 5.724 4.740 1.910 0.000 0.181 275 N C 1.785 177.253 175.510 -0.069 0.000 1.016 275 N CA 1.107 54.151 53.050 -0.010 0.000 0.870 275 N CB -0.686 37.792 38.487 -0.014 0.000 0.979 275 N HN 0.380 nan 8.380 nan 0.000 0.431 276 H N 1.210 120.276 119.070 -0.008 0.000 2.319 276 H HA -0.039 5.664 4.556 1.910 0.000 0.299 276 H C 2.241 177.557 175.328 -0.020 0.000 1.092 276 H CA 0.599 56.608 56.048 -0.064 0.000 1.302 276 H CB -0.521 29.128 29.762 -0.187 0.000 1.373 276 H HN 0.156 nan 8.280 nan 0.000 0.497 277 L N 0.341 121.687 121.223 0.205 0.000 2.043 277 L HA -0.201 5.286 4.340 1.910 0.000 0.212 277 L C 2.267 179.109 176.870 -0.047 0.000 1.075 277 L CA 1.076 55.994 54.840 0.131 0.000 0.752 277 L CB -0.254 41.787 42.059 -0.030 0.000 0.891 277 L HN 0.191 nan 8.230 nan 0.000 0.432 278 I N -0.085 120.375 120.570 -0.184 0.000 2.142 278 I HA -0.276 5.040 4.170 1.910 0.000 0.240 278 I C 2.773 178.831 176.117 -0.098 0.000 1.078 278 I CA 2.134 63.314 61.300 -0.199 0.000 1.343 278 I CB -1.554 36.332 38.000 -0.191 0.000 1.046 278 I HN 0.436 nan 8.210 nan 0.000 0.405 279 T N -0.828 113.710 114.554 -0.027 0.000 2.867 279 T HA -0.200 5.296 4.350 1.910 0.000 0.268 279 T C 1.931 176.647 174.700 0.028 0.000 1.057 279 T CA 1.417 63.529 62.100 0.019 0.000 1.136 279 T CB -0.126 68.767 68.868 0.040 0.000 0.874 279 T HN 0.023 nan 8.240 nan 0.000 0.466 280 K N 2.206 122.621 120.400 0.025 0.000 2.032 280 K HA 0.176 5.642 4.320 1.910 0.000 0.209 280 K C 2.432 179.046 176.600 0.023 0.000 1.048 280 K CA 1.710 58.017 56.287 0.033 0.000 0.927 280 K CB -1.194 31.354 32.500 0.079 0.000 0.712 280 K HN 0.447 nan 8.250 nan 0.000 0.441 281 A N 1.247 124.011 122.820 -0.092 0.000 1.930 281 A HA -0.163 5.303 4.320 1.910 0.000 0.217 281 A C 1.921 179.512 177.584 0.013 0.000 1.175 281 A CA 1.744 53.607 52.037 -0.290 0.000 0.627 281 A CB -0.616 17.721 19.000 -1.104 0.000 0.815 281 A HN 0.651 nan 8.150 nan 0.000 0.443 282 E N 0.486 120.765 120.200 0.131 0.000 2.152 282 E HA -0.143 5.353 4.350 1.910 0.000 0.192 282 E C 2.009 178.789 176.600 0.300 0.000 0.983 282 E CA 1.410 58.033 56.400 0.373 0.000 0.818 282 E CB -0.565 29.290 29.700 0.258 0.000 0.758 282 E HN 0.640 nan 8.360 nan 0.000 0.467 283 S N 1.787 117.595 115.700 0.180 0.000 2.368 283 S HA -0.154 5.463 4.470 1.910 0.000 0.225 283 S C 2.150 176.845 174.600 0.158 0.000 1.030 283 S CA 0.940 59.224 58.200 0.140 0.000 0.999 283 S CB -0.703 62.546 63.200 0.082 0.000 0.844 283 S HN 0.247 nan 8.310 nan 0.000 0.459 284 L N -0.436 120.903 121.223 0.193 0.000 2.093 284 L HA -0.016 5.470 4.340 1.910 0.000 0.208 284 L C 2.619 179.677 176.870 0.313 0.000 1.085 284 L CA 1.722 56.677 54.840 0.191 0.000 0.755 284 L CB -0.725 41.450 42.059 0.193 0.000 0.904 284 L HN 0.329 nan 8.230 nan 0.000 0.435 285 Y N 1.078 121.615 120.300 0.394 0.000 2.181 285 Y HA -0.298 5.399 4.550 1.912 0.000 0.288 285 Y C 2.235 178.243 175.900 0.180 0.000 1.146 285 Y CA 1.773 60.100 58.100 0.380 0.000 1.164 285 Y CB -0.109 38.607 38.460 0.427 0.000 0.982 285 Y HN 0.230 nan 8.280 nan 0.000 0.515 286 D N -0.155 120.419 120.400 0.290 0.000 2.263 286 D HA -0.170 5.616 4.640 1.910 0.000 0.208 286 D C 1.853 178.163 176.300 0.017 0.000 0.971 286 D CA 1.373 55.460 54.000 0.145 0.000 0.867 286 D CB -0.236 40.654 40.800 0.149 0.000 0.929 286 D HN 0.483 nan 8.370 nan 0.000 0.492 287 M N -1.074 118.526 119.600 -0.000 0.000 2.595 287 M HA 0.119 5.745 4.480 1.910 0.000 0.248 287 M C 1.044 177.270 176.300 -0.124 0.000 1.119 287 M CA 0.631 55.886 55.300 -0.074 0.000 1.079 287 M CB 0.737 33.276 32.600 -0.102 0.000 1.472 287 M HN 0.142 nan 8.290 nan 0.000 0.501 288 G N 0.272 108.988 108.800 -0.140 0.000 2.168 288 G HA2 -0.162 4.944 3.960 1.910 0.000 0.197 288 G HA3 -0.162 4.944 3.960 1.910 0.000 0.197 288 G C -0.056 174.758 174.900 -0.144 0.000 0.997 288 G CA -0.521 44.469 45.100 -0.183 0.000 0.658 288 G HN 0.232 nan 8.290 nan 0.000 0.513 289 V N 1.712 121.586 119.914 -0.067 0.000 2.521 289 V HA 0.430 5.696 4.120 1.910 0.000 0.286 289 V C 1.268 177.424 176.094 0.104 0.000 1.034 289 V CA 0.070 62.379 62.300 0.015 0.000 1.045 289 V CB 1.335 33.157 31.823 -0.002 0.000 0.974 289 V HN 0.305 nan 8.190 nan 0.000 0.480 290 R N 2.102 122.666 120.500 0.107 0.000 2.535 290 R HA 0.334 5.821 4.340 1.910 0.000 0.323 290 R C -0.141 176.344 176.300 0.309 0.000 0.979 290 R CA -0.033 56.225 56.100 0.263 0.000 1.120 290 R CB 1.009 31.404 30.300 0.158 0.000 1.306 290 R HN 0.608 nan 8.270 nan 0.000 0.540 291 S N 0.406 116.153 115.700 0.078 0.000 2.541 291 S HA 0.712 6.328 4.470 1.910 0.000 0.280 291 S C -1.182 173.306 174.600 -0.187 0.000 1.112 291 S CA -0.449 57.834 58.200 0.138 0.000 0.925 291 S CB 1.699 64.986 63.200 0.144 0.000 1.067 291 S HN 0.020 nan 8.310 nan 0.000 0.479 292 F N 1.010 121.117 119.950 0.261 0.000 2.578 292 F HA 0.763 6.443 4.527 1.923 0.000 0.311 292 F C 0.087 175.909 175.800 0.037 0.000 1.094 292 F CA -0.760 57.348 58.000 0.179 0.000 0.923 292 F CB 1.794 40.938 39.000 0.240 0.000 1.230 292 F HN 0.663 nan 8.300 nan 0.000 0.450 293 A N 3.440 126.273 122.820 0.022 0.000 2.355 293 A HA 0.915 6.381 4.320 1.910 0.000 0.317 293 A C -1.161 176.160 177.584 -0.438 0.000 1.094 293 A CA -0.609 51.312 52.037 -0.192 0.000 0.764 293 A CB 0.967 19.787 19.000 -0.301 0.000 1.230 293 A HN 0.715 nan 8.150 nan 0.000 0.448 294 I N 2.212 122.525 120.570 -0.429 0.000 2.447 294 I HA 0.296 5.612 4.170 1.910 0.000 0.287 294 I C -1.205 174.537 176.117 -0.624 0.000 1.023 294 I CA -0.274 60.648 61.300 -0.630 0.000 1.083 294 I CB 1.451 39.105 38.000 -0.577 0.000 1.245 294 I HN 0.679 nan 8.210 nan 0.000 0.434 295 Y N 4.062 123.932 120.300 -0.717 0.000 2.323 295 Y HA 0.173 5.863 4.550 1.900 0.000 0.331 295 Y C 0.002 175.368 175.900 -0.890 0.000 1.092 295 Y CA -0.669 57.044 58.100 -0.645 0.000 1.150 295 Y CB 1.690 39.896 38.460 -0.424 0.000 1.200 295 Y HN 0.658 nan 8.280 nan 0.000 0.472 296 W N 0.970 122.239 121.300 -0.052 0.000 2.862 296 W HA 0.029 5.839 4.660 1.917 0.000 0.376 296 W C 1.557 177.973 176.519 -0.171 0.000 1.028 296 W CA -0.364 56.866 57.345 -0.192 0.000 1.757 296 W CB 0.431 29.729 29.460 -0.270 0.000 1.128 296 W HN 0.634 nan 8.180 nan 0.000 0.566 297 D N 1.158 121.520 120.400 -0.065 0.000 2.182 297 D HA -0.227 5.559 4.640 1.910 0.000 0.201 297 D C 0.840 177.125 176.300 -0.025 0.000 0.986 297 D CA 1.880 55.806 54.000 -0.124 0.000 0.847 297 D CB -0.414 40.043 40.800 -0.572 0.000 0.942 297 D HN 0.288 nan 8.370 nan 0.000 0.467 298 D N -0.063 120.312 120.400 -0.041 0.000 2.462 298 D HA 0.154 5.941 4.640 1.910 0.000 0.221 298 D C 0.590 176.907 176.300 0.028 0.000 1.173 298 D CA -0.694 53.300 54.000 -0.010 0.000 0.831 298 D CB -0.447 40.338 40.800 -0.026 0.000 1.001 298 D HN 0.323 nan 8.370 nan 0.000 0.499 299 I N 0.732 121.345 120.570 0.071 0.000 2.532 299 I HA 0.018 5.334 4.170 1.910 0.000 0.292 299 I C 0.840 177.023 176.117 0.110 0.000 1.014 299 I CA -0.413 60.965 61.300 0.129 0.000 1.340 299 I CB 1.468 39.614 38.000 0.243 0.000 1.422 299 I HN -0.214 nan 8.210 nan 0.000 0.528 300 Q N 3.517 123.384 119.800 0.113 0.000 2.435 300 Q HA -0.017 5.469 4.340 1.910 0.000 0.207 300 Q C -0.382 175.667 176.000 0.082 0.000 0.956 300 Q CA 0.514 56.364 55.803 0.078 0.000 0.917 300 Q CB -0.535 28.244 28.738 0.068 0.000 0.997 300 Q HN 0.796 nan 8.270 nan 0.000 0.497 301 D N -1.328 119.153 120.400 0.135 0.000 2.442 301 D HA 0.214 6.000 4.640 1.910 0.000 0.254 301 D C -0.069 176.286 176.300 0.091 0.000 1.069 301 D CA -0.642 53.422 54.000 0.107 0.000 1.017 301 D CB 0.980 41.863 40.800 0.138 0.000 1.172 301 D HN -0.336 nan 8.370 nan 0.000 0.561 302 K N 0.119 120.540 120.400 0.034 0.000 3.237 302 K HA 0.230 5.697 4.320 1.910 0.000 0.197 302 K C -0.666 175.963 176.600 0.048 0.000 1.133 302 K CA -0.468 55.853 56.287 0.057 0.000 0.944 302 K CB 0.869 33.379 32.500 0.016 0.000 0.952 302 K HN 0.297 nan 8.250 nan 0.000 0.515 303 S N 1.654 117.185 115.700 -0.283 0.000 4.139 303 S HA 0.132 5.748 4.470 1.910 0.000 0.215 303 S C 1.469 175.539 174.600 -0.884 0.000 1.390 303 S CA -0.194 57.688 58.200 -0.530 0.000 0.885 303 S CB 0.467 63.315 63.200 -0.586 0.000 1.560 303 S HN 0.469 nan 8.310 nan 0.000 0.449 304 A N 3.092 125.574 122.820 -0.562 0.000 1.884 304 A HA -0.172 5.294 4.320 1.910 0.000 0.219 304 A C 2.375 179.668 177.584 -0.486 0.000 1.197 304 A CA 2.008 53.612 52.037 -0.720 0.000 0.637 304 A CB -1.130 17.347 19.000 -0.871 0.000 0.827 304 A HN 0.769 nan 8.150 nan 0.000 0.450 305 A N -0.583 121.987 122.820 -0.415 0.000 1.902 305 A HA -0.182 5.284 4.320 1.910 0.000 0.217 305 A C 2.121 179.486 177.584 -0.365 0.000 1.181 305 A CA 1.937 53.773 52.037 -0.336 0.000 0.623 305 A CB -0.446 18.404 19.000 -0.250 0.000 0.818 305 A HN 0.591 nan 8.150 nan 0.000 0.443 306 K N -1.110 118.987 120.400 -0.505 0.000 2.097 306 K HA -0.114 5.353 4.320 1.910 0.000 0.205 306 K C 1.860 178.132 176.600 -0.547 0.000 1.050 306 K CA 1.500 57.434 56.287 -0.588 0.000 0.938 306 K CB -0.367 31.534 32.500 -0.999 0.000 0.718 306 K HN 0.766 nan 8.250 nan 0.000 0.442 307 H N 0.057 118.664 119.070 -0.772 0.000 2.321 307 H HA -0.098 5.605 4.556 1.912 0.000 0.300 307 H C 2.221 177.339 175.328 -0.350 0.000 1.087 307 H CA 0.779 56.253 56.048 -0.957 0.000 1.319 307 H CB -0.006 29.087 29.762 -1.114 0.000 1.379 307 H HN 0.264 nan 8.280 nan 0.000 0.501 308 A N 1.030 123.711 122.820 -0.231 0.000 1.933 308 A HA -0.224 5.242 4.320 1.910 0.000 0.218 308 A C 2.204 179.707 177.584 -0.135 0.000 1.175 308 A CA 1.626 53.441 52.037 -0.371 0.000 0.628 308 A CB -0.430 18.178 19.000 -0.652 0.000 0.814 308 A HN 0.420 nan 8.150 nan 0.000 0.444 309 Q N -0.696 119.037 119.800 -0.112 0.000 2.167 309 Q HA -0.061 5.425 4.340 1.910 0.000 0.202 309 Q C 2.056 178.100 176.000 0.072 0.000 0.970 309 Q CA 1.364 57.141 55.803 -0.043 0.000 0.855 309 Q CB -0.242 28.448 28.738 -0.080 0.000 0.911 309 Q HN 0.475 nan 8.270 nan 0.000 0.438 310 V N 0.787 120.821 119.914 0.200 0.000 2.295 310 V HA -0.271 4.995 4.120 1.910 0.000 0.246 310 V C 2.081 178.485 176.094 0.518 0.000 1.049 310 V CA 1.600 64.168 62.300 0.446 0.000 1.024 310 V CB -0.471 31.759 31.823 0.678 0.000 0.648 310 V HN 0.372 nan 8.190 nan 0.000 0.447 311 L N 0.081 121.567 121.223 0.440 0.000 2.017 311 L HA -0.182 5.305 4.340 1.910 0.000 0.208 311 L C 2.483 179.556 176.870 0.338 0.000 1.073 311 L CA 1.615 56.697 54.840 0.402 0.000 0.745 311 L CB -0.895 41.377 42.059 0.354 0.000 0.894 311 L HN 0.368 nan 8.230 nan 0.000 0.432 312 N N -0.063 118.758 118.700 0.201 0.000 2.069 312 N HA -0.179 5.707 4.740 1.910 0.000 0.191 312 N C 1.946 177.558 175.510 0.171 0.000 1.031 312 N CA 1.132 54.264 53.050 0.137 0.000 0.852 312 N CB -0.315 38.195 38.487 0.039 0.000 1.018 312 N HN 0.220 nan 8.380 nan 0.000 0.423 313 R N -0.228 120.376 120.500 0.173 0.000 2.075 313 R HA -0.033 5.454 4.340 1.910 0.000 0.232 313 R C 2.061 178.632 176.300 0.452 0.000 1.126 313 R CA 0.606 56.791 56.100 0.141 0.000 0.963 313 R CB -0.521 29.627 30.300 -0.253 0.000 0.858 313 R HN 0.229 nan 8.270 nan 0.000 0.435 314 F N 1.960 122.224 119.950 0.524 0.000 2.102 314 F HA -0.251 5.422 4.527 1.910 0.000 0.298 314 F C 2.085 178.049 175.800 0.274 0.000 1.105 314 F CA 1.906 60.144 58.000 0.398 0.000 1.239 314 F CB -0.431 38.712 39.000 0.238 0.000 0.991 314 F HN 0.047 nan 8.300 nan 0.000 0.474 315 N N 0.322 119.254 118.700 0.386 0.000 2.137 315 N HA -0.245 5.641 4.740 1.910 0.000 0.190 315 N C 1.760 177.336 175.510 0.110 0.000 1.017 315 N CA 1.731 54.926 53.050 0.242 0.000 0.859 315 N CB -0.233 38.394 38.487 0.232 0.000 1.002 315 N HN 0.435 nan 8.380 nan 0.000 0.428 316 E N 0.335 120.600 120.200 0.109 0.000 2.060 316 E HA 0.037 5.533 4.350 1.910 0.000 0.189 316 E C 1.291 177.906 176.600 0.026 0.000 0.974 316 E CA 1.066 57.501 56.400 0.059 0.000 0.808 316 E CB -0.029 29.706 29.700 0.059 0.000 0.768 316 E HN 0.417 nan 8.360 nan 0.000 0.453 317 E N -1.517 118.716 120.200 0.056 0.000 2.478 317 E HA 0.001 5.497 4.350 1.910 0.000 0.194 317 E C 0.756 177.330 176.600 -0.044 0.000 1.045 317 E CA 0.177 56.600 56.400 0.038 0.000 0.868 317 E CB 0.284 30.079 29.700 0.159 0.000 0.885 317 E HN 0.246 nan 8.360 nan 0.000 0.505 318 F N -0.988 118.748 119.950 -0.357 0.000 2.102 318 F HA 0.033 5.705 4.527 1.908 0.000 0.254 318 F C 1.756 177.330 175.800 -0.377 0.000 0.975 318 F CA 0.122 57.802 58.000 -0.533 0.000 1.176 318 F CB -0.046 38.289 39.000 -1.109 0.000 1.358 318 F HN -0.265 nan 8.300 nan 0.000 0.728 319 V N 2.150 121.970 119.914 -0.157 0.000 2.237 319 V HA -0.264 5.002 4.120 1.910 0.000 0.245 319 V C 2.328 178.376 176.094 -0.078 0.000 1.046 319 V CA 2.173 64.453 62.300 -0.033 0.000 1.007 319 V CB -0.757 31.178 31.823 0.186 0.000 0.638 319 V HN 0.224 nan 8.190 nan 0.000 0.445 320 K N 0.431 120.806 120.400 -0.041 0.000 2.057 320 K HA -0.082 5.384 4.320 1.910 0.000 0.207 320 K C 2.297 178.844 176.600 -0.089 0.000 1.049 320 K CA 1.557 57.824 56.287 -0.034 0.000 0.931 320 K CB -0.665 31.833 32.500 -0.003 0.000 0.714 320 K HN 0.474 nan 8.250 nan 0.000 0.440 321 A N 1.904 124.637 122.820 -0.144 0.000 1.972 321 A HA -0.145 5.321 4.320 1.910 0.000 0.219 321 A C 2.024 179.466 177.584 -0.237 0.000 1.169 321 A CA 1.366 53.301 52.037 -0.171 0.000 0.635 321 A CB -0.119 18.774 19.000 -0.179 0.000 0.810 321 A HN 0.095 nan 8.150 nan 0.000 0.446 322 K N -1.825 118.360 120.400 -0.359 0.000 2.167 322 K HA 0.072 5.538 4.320 1.910 0.000 0.203 322 K C 1.675 178.186 176.600 -0.149 0.000 1.052 322 K CA 0.995 57.048 56.287 -0.390 0.000 0.956 322 K CB -0.502 31.581 32.500 -0.695 0.000 0.735 322 K HN 0.725 nan 8.250 nan 0.000 0.451 323 G N 2.306 111.050 108.800 -0.092 0.000 2.377 323 G HA2 -0.302 4.805 3.960 1.910 0.000 0.250 323 G HA3 -0.302 4.805 3.960 1.910 0.000 0.250 323 G C 0.449 175.372 174.900 0.038 0.000 1.039 323 G CA 0.913 46.004 45.100 -0.015 0.000 0.625 323 G HN 0.488 nan 8.290 nan 0.000 0.526 324 D N 0.349 120.794 120.400 0.075 0.000 2.462 324 D HA 0.363 6.149 4.640 1.910 0.000 0.221 324 D C 0.475 176.884 176.300 0.182 0.000 1.173 324 D CA -0.079 53.996 54.000 0.125 0.000 0.831 324 D CB 0.154 41.035 40.800 0.135 0.000 1.001 324 D HN 0.337 nan 8.370 nan 0.000 0.499 325 V N 1.419 121.443 119.914 0.183 0.000 2.407 325 V HA 0.154 5.420 4.120 1.910 0.000 0.278 325 V C 0.805 177.053 176.094 0.258 0.000 1.037 325 V CA -0.919 61.549 62.300 0.281 0.000 0.900 325 V CB 1.644 33.647 31.823 0.301 0.000 0.983 325 V HN -0.004 nan 8.190 nan 0.000 0.459 326 K N 4.430 125.003 120.400 0.289 0.000 2.344 326 K HA 0.187 5.654 4.320 1.910 0.000 0.260 326 K C -2.294 174.481 176.600 0.291 0.000 0.988 326 K CA -1.222 55.222 56.287 0.262 0.000 0.909 326 K CB 0.006 32.662 32.500 0.260 0.000 0.968 326 K HN 0.382 nan 8.250 nan 0.000 0.505 327 P HA -0.031 nan 4.420 nan 0.000 0.264 327 P C 0.022 177.494 177.300 0.288 0.000 1.183 327 P CA 0.057 63.309 63.100 0.253 0.000 0.763 327 P CB 0.379 32.215 31.700 0.226 0.000 0.807 328 L N 4.045 125.446 121.223 0.296 0.000 2.490 328 L HA 0.127 5.613 4.340 1.910 0.000 0.274 328 L C 0.043 177.033 176.870 0.199 0.000 1.201 328 L CA 0.278 55.301 54.840 0.305 0.000 0.869 328 L CB 0.060 42.320 42.059 0.335 0.000 1.123 328 L HN 0.317 nan 8.230 nan 0.000 0.484 329 I N 3.613 124.272 120.570 0.149 0.000 2.412 329 I HA 0.324 5.640 4.170 1.910 0.000 0.296 329 I C 0.067 176.226 176.117 0.070 0.000 0.987 329 I CA -0.098 61.231 61.300 0.048 0.000 1.180 329 I CB 2.005 39.995 38.000 -0.018 0.000 1.340 329 I HN 0.500 nan 8.210 nan 0.000 0.455 330 T N 4.843 119.462 114.554 0.109 0.000 2.903 330 T HA 0.614 6.111 4.350 1.910 0.000 0.299 330 T C -1.331 173.477 174.700 0.180 0.000 1.093 330 T CA -0.437 61.773 62.100 0.182 0.000 1.002 330 T CB 1.571 70.655 68.868 0.360 0.000 1.127 330 T HN 0.190 nan 8.240 nan 0.000 0.488 331 V N 6.732 126.752 119.914 0.176 0.000 2.378 331 V HA 0.484 5.750 4.120 1.910 0.000 0.288 331 V C -2.098 174.038 176.094 0.069 0.000 1.016 331 V CA -1.790 60.519 62.300 0.014 0.000 0.840 331 V CB 1.353 32.978 31.823 -0.331 0.000 0.994 331 V HN 0.719 nan 8.190 nan 0.000 0.431 332 P HA 0.201 nan 4.420 nan 0.000 0.274 332 P C 0.913 178.259 177.300 0.077 0.000 1.246 332 P CA -0.123 62.929 63.100 -0.080 0.000 0.795 332 P CB 0.779 32.235 31.700 -0.407 0.000 1.006 333 T N -0.829 113.722 114.554 -0.005 0.000 2.759 333 T HA -0.135 5.361 4.350 1.910 0.000 0.269 333 T C 0.441 175.013 174.700 -0.214 0.000 1.042 333 T CA 1.525 63.514 62.100 -0.184 0.000 1.140 333 T CB -0.387 68.155 68.868 -0.543 0.000 0.864 333 T HN 0.516 nan 8.240 nan 0.000 0.455 334 E N 0.883 120.899 120.200 -0.306 0.000 2.115 334 E HA 0.294 5.790 4.350 1.910 0.000 0.282 334 E C -0.462 176.132 176.600 -0.009 0.000 0.987 334 E CA -0.397 55.880 56.400 -0.205 0.000 0.797 334 E CB 0.705 30.340 29.700 -0.109 0.000 1.086 334 E HN 0.681 nan 8.360 nan 0.000 0.397 335 Y N 0.497 120.769 120.300 -0.047 0.000 2.728 335 Y HA 0.266 5.965 4.550 1.916 0.000 0.256 335 Y C -0.477 175.482 175.900 0.099 0.000 1.112 335 Y CA -0.939 57.167 58.100 0.010 0.000 1.240 335 Y CB 0.242 38.622 38.460 -0.133 0.000 1.337 335 Y HN 0.347 nan 8.280 nan 0.000 0.559 336 D N -1.402 118.958 120.400 -0.068 0.000 2.527 336 D HA 0.311 6.097 4.640 1.910 0.000 0.233 336 D C 0.540 176.928 176.300 0.147 0.000 1.063 336 D CA -0.575 53.489 54.000 0.106 0.000 0.880 336 D CB 2.113 42.874 40.800 -0.065 0.000 1.457 336 D HN -0.079 nan 8.370 nan 0.000 0.475 337 T N 0.978 115.698 114.554 0.278 0.000 2.699 337 T HA -0.127 5.370 4.350 1.910 0.000 0.268 337 T C 1.944 176.688 174.700 0.074 0.000 1.036 337 T CA 1.725 63.941 62.100 0.193 0.000 1.147 337 T CB -0.749 68.256 68.868 0.228 0.000 0.862 337 T HN 0.693 nan 8.240 nan 0.000 0.446 338 G N 1.103 109.926 108.800 0.038 0.000 2.476 338 G HA2 -0.117 4.989 3.960 1.910 0.000 0.218 338 G HA3 -0.117 4.989 3.960 1.910 0.000 0.218 338 G C 1.733 176.604 174.900 -0.049 0.000 1.164 338 G CA 0.953 46.046 45.100 -0.011 0.000 0.768 338 G HN 0.633 nan 8.290 nan 0.000 0.560 339 A N -0.287 122.477 122.820 -0.094 0.000 2.123 339 A HA 0.362 5.828 4.320 1.910 0.000 0.214 339 A C 2.318 179.860 177.584 -0.070 0.000 1.152 339 A CA 1.244 53.202 52.037 -0.132 0.000 0.728 339 A CB -0.122 18.718 19.000 -0.265 0.000 0.814 339 A HN 0.411 nan 8.150 nan 0.000 0.464 340 M N -1.260 118.332 119.600 -0.014 0.000 2.545 340 M HA 0.162 5.788 4.480 1.910 0.000 0.264 340 M C -0.297 176.017 176.300 0.022 0.000 1.155 340 M CA 0.585 55.907 55.300 0.036 0.000 1.162 340 M CB 0.611 33.267 32.600 0.094 0.000 1.330 340 M HN 0.015 nan 8.290 nan 0.000 0.479 341 V N -0.219 119.702 119.914 0.011 0.000 2.680 341 V HA 0.533 5.799 4.120 1.910 0.000 0.309 341 V C -0.687 175.404 176.094 -0.005 0.000 1.052 341 V CA -0.684 61.616 62.300 0.001 0.000 0.908 341 V CB 1.951 33.777 31.823 0.005 0.000 1.001 341 V HN 0.175 nan 8.190 nan 0.000 0.431 342 S N 3.875 119.569 115.700 -0.011 0.000 2.736 342 S HA 0.427 6.043 4.470 1.910 0.000 0.285 342 S C -0.132 174.460 174.600 -0.012 0.000 1.163 342 S CA -0.579 57.614 58.200 -0.012 0.000 1.025 342 S CB 0.423 63.614 63.200 -0.015 0.000 1.030 342 S HN 0.859 nan 8.310 nan 0.000 0.486 343 N N 3.260 121.954 118.700 -0.009 0.000 2.725 343 N HA -0.193 5.694 4.740 1.910 0.000 0.251 343 N C 0.920 176.423 175.510 -0.012 0.000 1.031 343 N CA 1.396 54.440 53.050 -0.010 0.000 0.720 343 N CB -1.532 36.948 38.487 -0.011 0.000 0.930 343 N HN 1.595 nan 8.380 nan 0.000 0.543 344 G N -1.472 107.322 108.800 -0.011 0.000 2.212 344 G HA2 -0.340 4.766 3.960 1.910 0.000 0.266 344 G HA3 -0.340 4.766 3.960 1.910 0.000 0.266 344 G C -0.087 174.798 174.900 -0.025 0.000 0.978 344 G CA 0.823 45.913 45.100 -0.017 0.000 0.632 344 G HN 0.489 nan 8.290 nan 0.000 0.537 345 Q N 0.407 120.192 119.800 -0.025 0.000 2.345 345 Q HA 0.484 5.971 4.340 1.910 0.000 0.268 345 Q C -2.547 173.433 176.000 -0.034 0.000 1.054 345 Q CA -2.035 53.748 55.803 -0.034 0.000 0.835 345 Q CB 2.402 31.121 28.738 -0.031 0.000 1.339 345 Q HN 0.245 nan 8.270 nan 0.000 0.447 346 P HA 0.035 nan 4.420 nan 0.000 0.266 346 P C -0.271 177.013 177.300 -0.027 0.000 1.195 346 P CA 0.183 63.256 63.100 -0.045 0.000 0.768 346 P CB 0.841 32.491 31.700 -0.084 0.000 0.838 347 R N 1.696 122.193 120.500 -0.005 0.000 2.707 347 R HA 0.273 5.759 4.340 1.910 0.000 0.270 347 R C 1.818 178.126 176.300 0.014 0.000 1.083 347 R CA -0.195 55.908 56.100 0.005 0.000 1.182 347 R CB -0.072 30.237 30.300 0.015 0.000 1.084 347 R HN 0.465 nan 8.270 nan 0.000 0.528 348 A N 1.410 124.238 122.820 0.013 0.000 1.884 348 A HA -0.288 5.178 4.320 1.910 0.000 0.219 348 A C 2.039 179.633 177.584 0.018 0.000 1.197 348 A CA 1.949 53.987 52.037 0.002 0.000 0.637 348 A CB -0.960 18.040 19.000 -0.001 0.000 0.827 348 A HN 0.887 nan 8.150 nan 0.000 0.450 349 Y N 0.740 121.013 120.300 -0.045 0.000 2.114 349 Y HA -0.215 5.481 4.550 1.909 0.000 0.284 349 Y C 2.764 178.672 175.900 0.013 0.000 1.143 349 Y CA 2.591 60.671 58.100 -0.034 0.000 1.135 349 Y CB -0.720 37.713 38.460 -0.045 0.000 0.980 349 Y HN 0.305 nan 8.280 nan 0.000 0.499 350 T N 1.068 115.748 114.554 0.210 0.000 2.684 350 T HA -0.267 5.230 4.350 1.910 0.000 0.267 350 T C 1.907 176.558 174.700 -0.081 0.000 1.036 350 T CA 1.858 64.022 62.100 0.107 0.000 1.148 350 T CB -0.402 68.535 68.868 0.114 0.000 0.863 350 T HN 0.385 nan 8.240 nan 0.000 0.436 351 R N 0.560 121.006 120.500 -0.090 0.000 2.083 351 R HA -0.066 5.420 4.340 1.910 0.000 0.237 351 R C 2.387 178.599 176.300 -0.146 0.000 1.137 351 R CA 1.639 57.660 56.100 -0.131 0.000 0.951 351 R CB -0.476 29.768 30.300 -0.093 0.000 0.851 351 R HN 0.391 nan 8.270 nan 0.000 0.434 352 I N -0.008 120.476 120.570 -0.144 0.000 2.202 352 I HA -0.247 5.069 4.170 1.910 0.000 0.242 352 I C 2.218 178.225 176.117 -0.183 0.000 1.091 352 I CA 1.164 62.362 61.300 -0.171 0.000 1.368 352 I CB -0.345 37.538 38.000 -0.194 0.000 1.058 352 I HN 0.178 nan 8.210 nan 0.000 0.410 353 F N 1.667 121.390 119.950 -0.377 0.000 2.095 353 F HA -0.299 5.373 4.527 1.910 0.000 0.298 353 F C 2.528 178.259 175.800 -0.115 0.000 1.104 353 F CA 1.694 59.525 58.000 -0.283 0.000 1.232 353 F CB -0.261 38.543 39.000 -0.326 0.000 0.987 353 F HN 0.019 nan 8.300 nan 0.000 0.475 354 A N -0.556 122.237 122.820 -0.046 0.000 1.940 354 A HA -0.246 5.221 4.320 1.910 0.000 0.219 354 A C 2.225 179.720 177.584 -0.148 0.000 1.176 354 A CA 1.894 53.775 52.037 -0.261 0.000 0.631 354 A CB -0.887 17.709 19.000 -0.674 0.000 0.814 354 A HN 0.547 nan 8.150 nan 0.000 0.446 355 E N -1.048 119.059 120.200 -0.155 0.000 2.107 355 E HA -0.114 5.382 4.350 1.910 0.000 0.191 355 E C 1.740 178.264 176.600 -0.126 0.000 0.982 355 E CA 1.532 57.856 56.400 -0.126 0.000 0.809 355 E CB 0.067 29.693 29.700 -0.123 0.000 0.756 355 E HN 0.642 nan 8.360 nan 0.000 0.459 356 T N -0.025 114.420 114.554 -0.182 0.000 2.983 356 T HA 0.048 5.544 4.350 1.910 0.000 0.250 356 T C 0.790 175.364 174.700 -0.211 0.000 1.037 356 T CA -0.022 61.956 62.100 -0.203 0.000 1.142 356 T CB 0.293 69.001 68.868 -0.267 0.000 0.876 356 T HN -0.050 nan 8.240 nan 0.000 0.455 357 V N 3.448 123.184 119.914 -0.298 0.000 2.655 357 V HA 0.087 5.353 4.120 1.910 0.000 0.300 357 V C -0.334 175.728 176.094 -0.053 0.000 1.044 357 V CA -0.448 61.706 62.300 -0.244 0.000 1.095 357 V CB 0.366 31.960 31.823 -0.381 0.000 0.952 357 V HN 0.336 nan 8.190 nan 0.000 0.485 358 D N 8.126 128.521 120.400 -0.008 0.000 2.443 358 D HA 0.140 5.927 4.640 1.910 0.000 0.239 358 D C -1.595 174.747 176.300 0.071 0.000 1.136 358 D CA -1.199 52.822 54.000 0.036 0.000 0.879 358 D CB 1.269 42.103 40.800 0.057 0.000 1.195 358 D HN 0.409 nan 8.370 nan 0.000 0.443 359 P HA -0.116 nan 4.420 nan 0.000 0.222 359 P C 1.163 178.523 177.300 0.100 0.000 1.147 359 P CA 0.988 64.140 63.100 0.086 0.000 0.790 359 P CB 0.191 31.932 31.700 0.068 0.000 0.780 360 S N -1.670 114.090 115.700 0.100 0.000 2.527 360 S HA 0.032 5.649 4.470 1.910 0.000 0.222 360 S C 0.838 175.519 174.600 0.136 0.000 0.985 360 S CA 0.054 58.322 58.200 0.114 0.000 0.921 360 S CB -0.949 62.318 63.200 0.111 0.000 0.772 360 S HN 0.025 nan 8.310 nan 0.000 0.529 361 I N 2.786 123.437 120.570 0.136 0.000 2.441 361 I HA 0.172 5.488 4.170 1.910 0.000 0.287 361 I C 0.178 176.370 176.117 0.125 0.000 1.049 361 I CA -0.338 61.052 61.300 0.151 0.000 1.381 361 I CB 0.701 38.801 38.000 0.166 0.000 1.409 361 I HN 0.157 nan 8.210 nan 0.000 0.523 362 E N 5.884 126.143 120.200 0.099 0.000 2.290 362 E HA 0.227 5.723 4.350 1.910 0.000 0.277 362 E C -0.838 175.763 176.600 0.003 0.000 1.035 362 E CA -0.200 56.210 56.400 0.016 0.000 0.873 362 E CB 1.668 31.290 29.700 -0.130 0.000 1.029 362 E HN 0.219 nan 8.360 nan 0.000 0.419 363 V N 5.119 125.021 119.914 -0.019 0.000 2.409 363 V HA 0.328 5.595 4.120 1.910 0.000 0.291 363 V C 0.275 176.363 176.094 -0.010 0.000 1.020 363 V CA -0.585 61.687 62.300 -0.046 0.000 0.848 363 V CB 1.291 32.942 31.823 -0.287 0.000 0.990 363 V HN 0.570 nan 8.190 nan 0.000 0.430 364 M N 4.924 124.557 119.600 0.056 0.000 2.318 364 M HA 0.571 6.198 4.480 1.910 0.000 0.347 364 M C -0.674 175.805 176.300 0.299 0.000 1.175 364 M CA -0.220 55.186 55.300 0.177 0.000 1.075 364 M CB 1.617 34.309 32.600 0.152 0.000 1.614 364 M HN 0.888 nan 8.290 nan 0.000 0.456 365 W N 1.272 122.627 121.300 0.093 0.000 3.083 365 W HA 0.576 6.385 4.660 1.915 0.000 0.333 365 W C -0.026 176.622 176.519 0.215 0.000 1.217 365 W CA -0.687 56.740 57.345 0.137 0.000 1.170 365 W CB 0.954 30.486 29.460 0.121 0.000 1.437 365 W HN 0.712 nan 8.180 nan 0.000 0.557 366 T N 0.225 114.684 114.554 -0.159 0.000 3.086 366 T HA 0.512 6.008 4.350 1.910 0.000 0.250 366 T C 0.798 175.296 174.700 -0.335 0.000 1.074 366 T CA 0.605 62.608 62.100 -0.162 0.000 0.988 366 T CB -0.432 68.452 68.868 0.027 0.000 0.988 366 T HN 1.934 nan 8.240 nan 0.000 0.530 367 G N 1.814 110.043 108.800 -0.953 0.000 2.500 367 G HA2 -0.065 5.041 3.960 1.910 0.000 0.209 367 G HA3 -0.065 5.041 3.960 1.910 0.000 0.209 367 G C -2.474 172.518 174.900 0.154 0.000 1.283 367 G CA -0.369 44.526 45.100 -0.342 0.000 0.960 367 G HN 0.043 nan 8.290 nan 0.000 0.528 368 P HA 0.161 nan 4.420 nan 0.000 0.218 368 P C 1.101 178.476 177.300 0.125 0.000 1.148 368 P CA 2.406 65.627 63.100 0.202 0.000 0.822 368 P CB -0.012 31.787 31.700 0.165 0.000 0.784 369 G N -2.688 106.168 108.800 0.093 0.000 2.725 369 G HA2 0.338 5.444 3.960 1.910 0.000 0.288 369 G HA3 0.338 5.444 3.960 1.910 0.000 0.288 369 G C 0.592 175.514 174.900 0.037 0.000 1.399 369 G CA -0.459 44.672 45.100 0.052 0.000 0.859 369 G HN -0.222 nan 8.290 nan 0.000 0.479 370 V N -0.608 119.330 119.914 0.041 0.000 2.295 370 V HA -0.031 5.235 4.120 1.910 0.000 0.246 370 V C 0.928 177.055 176.094 0.056 0.000 1.049 370 V CA 1.269 63.616 62.300 0.077 0.000 1.024 370 V CB -0.292 31.587 31.823 0.094 0.000 0.648 370 V HN 0.340 nan 8.190 nan 0.000 0.447 371 V N -0.047 119.894 119.914 0.044 0.000 2.380 371 V HA 0.555 5.821 4.120 1.910 0.000 0.286 371 V C -0.372 175.621 176.094 -0.170 0.000 1.015 371 V CA -0.080 62.111 62.300 -0.183 0.000 0.834 371 V CB 1.379 32.923 31.823 -0.465 0.000 1.009 371 V HN 0.399 nan 8.190 nan 0.000 0.428 372 T N 2.680 117.131 114.554 -0.170 0.000 2.900 372 T HA 0.339 5.836 4.350 1.910 0.000 0.303 372 T C 0.816 175.549 174.700 0.054 0.000 1.142 372 T CA -0.503 61.581 62.100 -0.026 0.000 1.007 372 T CB 1.752 70.661 68.868 0.069 0.000 1.156 372 T HN 0.514 nan 8.240 nan 0.000 0.490 373 N N 1.602 120.355 118.700 0.089 0.000 2.104 373 N HA 0.024 5.910 4.740 1.910 0.000 0.190 373 N C 0.177 175.831 175.510 0.239 0.000 1.024 373 N CA 1.269 54.399 53.050 0.132 0.000 0.853 373 N CB 0.114 38.649 38.487 0.080 0.000 1.008 373 N HN 0.668 nan 8.380 nan 0.000 0.424 374 E N -0.864 119.479 120.200 0.238 0.000 2.383 374 E HA 0.432 5.929 4.350 1.910 0.000 0.275 374 E C -0.854 175.843 176.600 0.160 0.000 0.918 374 E CA -0.510 55.977 56.400 0.144 0.000 0.764 374 E CB 2.489 32.217 29.700 0.047 0.000 1.252 374 E HN -0.075 nan 8.360 nan 0.000 0.449 375 I N 3.349 123.918 120.570 -0.001 0.000 2.428 375 I HA 0.276 5.592 4.170 1.910 0.000 0.279 375 I C -2.285 173.864 176.117 0.053 0.000 1.040 375 I CA -2.030 59.301 61.300 0.052 0.000 1.171 375 I CB 0.807 38.797 38.000 -0.017 0.000 1.312 375 I HN 0.109 nan 8.210 nan 0.000 0.470 376 P HA 0.067 nan 4.420 nan 0.000 0.274 376 P C 0.778 178.146 177.300 0.114 0.000 1.237 376 P CA -0.540 62.606 63.100 0.077 0.000 0.793 376 P CB 1.617 33.358 31.700 0.068 0.000 0.977 377 L N 2.562 123.852 121.223 0.112 0.000 2.043 377 L HA -0.249 5.237 4.340 1.910 0.000 0.212 377 L C 2.480 179.402 176.870 0.086 0.000 1.075 377 L CA 2.810 57.741 54.840 0.151 0.000 0.752 377 L CB -1.614 40.544 42.059 0.166 0.000 0.891 377 L HN 0.525 nan 8.230 nan 0.000 0.432 378 S N -1.830 113.904 115.700 0.057 0.000 2.400 378 S HA -0.249 5.368 4.470 1.910 0.000 0.232 378 S C 1.821 176.414 174.600 -0.011 0.000 1.025 378 S CA 1.333 59.536 58.200 0.006 0.000 0.993 378 S CB -0.820 62.395 63.200 0.024 0.000 0.808 378 S HN 0.640 nan 8.310 nan 0.000 0.478 379 D N 2.018 122.462 120.400 0.073 0.000 2.097 379 D HA 0.074 5.860 4.640 1.910 0.000 0.197 379 D C 2.169 178.531 176.300 0.102 0.000 0.984 379 D CA 1.367 55.451 54.000 0.139 0.000 0.826 379 D CB -0.596 40.374 40.800 0.284 0.000 0.973 379 D HN 0.446 nan 8.370 nan 0.000 0.460 380 A N 0.367 123.296 122.820 0.182 0.000 1.892 380 A HA -0.303 5.163 4.320 1.910 0.000 0.218 380 A C 2.197 179.528 177.584 -0.421 0.000 1.188 380 A CA 2.151 54.220 52.037 0.055 0.000 0.631 380 A CB -1.052 18.130 19.000 0.305 0.000 0.822 380 A HN 0.464 nan 8.150 nan 0.000 0.447 381 Q N -0.920 118.477 119.800 -0.672 0.000 2.061 381 Q HA -0.207 5.280 4.340 1.910 0.000 0.204 381 Q C 2.032 177.753 176.000 -0.466 0.000 0.984 381 Q CA 1.855 57.052 55.803 -1.010 0.000 0.846 381 Q CB -0.274 28.049 28.738 -0.692 0.000 0.902 381 Q HN 0.569 nan 8.270 nan 0.000 0.421 382 L N 0.612 121.668 121.223 -0.279 0.000 1.994 382 L HA -0.198 5.288 4.340 1.910 0.000 0.208 382 L C 2.138 178.891 176.870 -0.196 0.000 1.071 382 L CA 1.617 56.351 54.840 -0.177 0.000 0.745 382 L CB -0.509 41.488 42.059 -0.102 0.000 0.892 382 L HN 0.309 nan 8.230 nan 0.000 0.431 383 I N -0.938 119.455 120.570 -0.295 0.000 2.286 383 I HA -0.190 5.126 4.170 1.910 0.000 0.245 383 I C 2.716 178.709 176.117 -0.207 0.000 1.104 383 I CA 1.613 62.705 61.300 -0.346 0.000 1.397 383 I CB -1.643 35.822 38.000 -0.892 0.000 1.072 383 I HN 0.422 nan 8.210 nan 0.000 0.417 384 S N 1.120 116.660 115.700 -0.267 0.000 2.383 384 S HA -0.099 5.517 4.470 1.910 0.000 0.227 384 S C 2.186 176.784 174.600 -0.002 0.000 1.026 384 S CA 1.500 59.651 58.200 -0.081 0.000 0.981 384 S CB -0.587 62.602 63.200 -0.019 0.000 0.818 384 S HN 0.497 nan 8.310 nan 0.000 0.472 385 G N 1.535 110.292 108.800 -0.072 0.000 2.421 385 G HA2 -0.134 4.972 3.960 1.910 0.000 0.216 385 G HA3 -0.134 4.972 3.960 1.910 0.000 0.216 385 G C 1.413 176.289 174.900 -0.039 0.000 1.171 385 G CA 0.986 46.063 45.100 -0.038 0.000 0.775 385 G HN 0.574 nan 8.290 nan 0.000 0.543 386 I N -0.984 119.543 120.570 -0.073 0.000 2.208 386 I HA -0.171 5.145 4.170 1.910 0.000 0.245 386 I C 2.180 178.178 176.117 -0.198 0.000 1.097 386 I CA 1.069 62.286 61.300 -0.139 0.000 1.363 386 I CB -0.104 37.790 38.000 -0.176 0.000 1.051 386 I HN 0.168 nan 8.210 nan 0.000 0.413 387 Y N -0.142 120.137 120.300 -0.035 0.000 2.482 387 Y HA 0.092 5.790 4.550 1.914 0.000 0.270 387 Y C 1.072 176.982 175.900 0.017 0.000 1.152 387 Y CA 0.151 58.255 58.100 0.007 0.000 1.292 387 Y CB -0.166 38.307 38.460 0.021 0.000 1.070 387 Y HN 0.202 nan 8.280 nan 0.000 0.528 388 N N 1.722 120.489 118.700 0.112 0.000 2.714 388 N HA -0.250 5.637 4.740 1.910 0.000 0.252 388 N C -0.634 174.946 175.510 0.118 0.000 1.014 388 N CA 0.569 53.673 53.050 0.091 0.000 0.735 388 N CB -0.552 37.966 38.487 0.053 0.000 0.924 388 N HN 0.558 nan 8.380 nan 0.000 0.540 389 R N -1.016 119.569 120.500 0.143 0.000 2.728 389 R HA 0.232 5.718 4.340 1.910 0.000 0.274 389 R C -1.640 174.749 176.300 0.149 0.000 1.032 389 R CA -0.842 55.342 56.100 0.139 0.000 0.866 389 R CB 0.245 30.633 30.300 0.146 0.000 1.263 389 R HN 0.048 nan 8.270 nan 0.000 0.475 390 N N 1.511 120.301 118.700 0.149 0.000 2.468 390 N HA 0.102 5.988 4.740 1.910 0.000 0.265 390 N C -0.242 175.376 175.510 0.180 0.000 1.199 390 N CA -0.050 53.106 53.050 0.176 0.000 0.928 390 N CB 0.565 39.150 38.487 0.162 0.000 1.059 390 N HN 0.251 nan 8.380 nan 0.000 0.467 391 M N 1.687 121.412 119.600 0.209 0.000 2.368 391 M HA 0.433 6.059 4.480 1.910 0.000 0.311 391 M C 0.127 176.645 176.300 0.364 0.000 1.168 391 M CA -0.811 54.624 55.300 0.225 0.000 1.044 391 M CB 1.015 33.698 32.600 0.138 0.000 1.506 391 M HN 0.461 nan 8.290 nan 0.000 0.475 392 A N 1.615 124.636 122.820 0.336 0.000 2.317 392 A HA 0.690 6.156 4.320 1.910 0.000 0.327 392 A C -0.704 177.131 177.584 0.418 0.000 1.178 392 A CA -0.658 51.573 52.037 0.323 0.000 0.817 392 A CB 0.838 19.778 19.000 -0.099 0.000 1.189 392 A HN 0.576 nan 8.150 nan 0.000 0.489 393 V N 3.033 123.176 119.914 0.382 0.000 2.394 393 V HA 0.282 5.549 4.120 1.910 0.000 0.282 393 V C -0.627 175.555 176.094 0.148 0.000 1.031 393 V CA -0.505 61.911 62.300 0.194 0.000 0.881 393 V CB 1.399 33.354 31.823 0.219 0.000 0.982 393 V HN 0.877 nan 8.190 nan 0.000 0.451 394 W N 7.361 128.622 121.300 -0.064 0.000 2.298 394 W HA 0.314 6.152 4.660 1.963 0.000 0.327 394 W C -0.816 175.693 176.519 -0.016 0.000 0.988 394 W CA -1.633 55.665 57.345 -0.078 0.000 1.448 394 W CB 1.123 30.512 29.460 -0.119 0.000 1.243 394 W HN 0.745 nan 8.180 nan 0.000 0.388 395 W N 8.656 129.894 121.300 -0.104 0.000 2.308 395 W HA 0.189 5.987 4.660 1.897 0.000 0.311 395 W C -0.141 176.440 176.519 0.104 0.000 1.088 395 W CA -0.493 56.837 57.345 -0.024 0.000 1.309 395 W CB 0.830 30.200 29.460 -0.151 0.000 1.229 395 W HN 0.256 nan 8.180 nan 0.000 0.427 396 N N 6.268 124.833 118.700 -0.225 0.000 3.254 396 N HA -0.021 5.866 4.740 1.910 0.000 0.308 396 N C -1.541 173.812 175.510 -0.262 0.000 1.281 396 N CA 0.474 53.447 53.050 -0.129 0.000 1.212 396 N CB -0.368 38.141 38.487 0.037 0.000 1.478 396 N HN 0.414 nan 8.380 nan 0.000 0.548 397 Y N 0.336 120.393 120.300 -0.405 0.000 2.436 397 Y HA 0.286 5.981 4.550 1.909 0.000 0.327 397 Y C -2.322 173.622 175.900 0.074 0.000 1.138 397 Y CA -1.536 56.471 58.100 -0.155 0.000 1.042 397 Y CB 2.486 40.828 38.460 -0.197 0.000 1.302 397 Y HN 0.050 nan 8.280 nan 0.000 0.439 398 P HA 0.039 nan 4.420 nan 0.000 0.254 398 P C 0.007 177.126 177.300 -0.302 0.000 1.494 398 P CA 0.230 62.996 63.100 -0.557 0.000 0.961 398 P CB 0.352 31.869 31.700 -0.305 0.000 1.493 399 V N 2.267 122.117 119.914 -0.106 0.000 2.752 399 V HA -0.037 5.229 4.120 1.910 0.000 0.306 399 V C 1.143 177.168 176.094 -0.115 0.000 1.099 399 V CA 1.873 64.153 62.300 -0.032 0.000 1.240 399 V CB 0.154 32.062 31.823 0.142 0.000 0.887 399 V HN 0.404 nan 8.190 nan 0.000 0.499 400 T N 0.747 115.181 114.554 -0.199 0.000 3.231 400 T HA 0.182 5.678 4.350 1.910 0.000 0.292 400 T C 0.786 175.268 174.700 -0.364 0.000 1.001 400 T CA 0.260 62.121 62.100 -0.398 0.000 0.920 400 T CB -0.094 68.640 68.868 -0.223 0.000 1.140 400 T HN 0.833 nan 8.240 nan 0.000 0.525 401 D N 1.801 122.131 120.400 -0.118 0.000 2.309 401 D HA -0.192 5.594 4.640 1.910 0.000 0.212 401 D C 1.411 177.767 176.300 0.094 0.000 0.968 401 D CA 0.885 54.930 54.000 0.075 0.000 0.882 401 D CB -0.735 40.249 40.800 0.308 0.000 0.918 401 D HN 0.760 nan 8.370 nan 0.000 0.503 402 Y N -2.759 117.632 120.300 0.153 0.000 2.466 402 Y HA 0.417 6.111 4.550 1.907 0.000 0.272 402 Y C -0.018 175.991 175.900 0.181 0.000 1.169 402 Y CA -1.153 57.032 58.100 0.141 0.000 1.285 402 Y CB -0.082 38.399 38.460 0.035 0.000 1.078 402 Y HN -0.099 nan 8.280 nan 0.000 0.523 403 F N 1.386 121.078 119.950 -0.429 0.000 3.098 403 F HA 0.374 6.046 4.527 1.907 0.000 0.403 403 F C 0.380 176.012 175.800 -0.281 0.000 1.195 403 F CA -1.476 56.353 58.000 -0.285 0.000 1.220 403 F CB 0.426 39.252 39.000 -0.290 0.000 2.443 403 F HN -0.182 nan 8.300 nan 0.000 0.632 404 K N 0.653 120.909 120.400 -0.239 0.000 2.288 404 K HA 0.046 5.512 4.320 1.910 0.000 0.201 404 K C 2.053 178.512 176.600 -0.234 0.000 1.048 404 K CA 0.946 57.172 56.287 -0.102 0.000 0.956 404 K CB 0.040 32.629 32.500 0.148 0.000 0.746 404 K HN 0.639 nan 8.250 nan 0.000 0.461 405 G N 1.524 109.844 108.800 -0.799 0.000 2.509 405 G HA2 -0.193 4.913 3.960 1.910 0.000 0.218 405 G HA3 -0.193 4.913 3.960 1.910 0.000 0.218 405 G C 0.407 174.978 174.900 -0.548 0.000 1.124 405 G CA 0.266 44.660 45.100 -1.177 0.000 0.776 405 G HN 0.138 nan 8.290 nan 0.000 0.547 406 K N 0.137 120.315 120.400 -0.371 0.000 2.182 406 K HA 0.558 6.024 4.320 1.910 0.000 0.262 406 K C -0.475 176.086 176.600 -0.065 0.000 0.957 406 K CA -0.724 55.483 56.287 -0.133 0.000 0.842 406 K CB 0.985 33.515 32.500 0.050 0.000 1.099 406 K HN -0.033 nan 8.250 nan 0.000 0.438 407 L N 3.041 124.235 121.223 -0.049 0.000 2.326 407 L HA 0.401 5.887 4.340 1.910 0.000 0.278 407 L C -0.010 176.831 176.870 -0.049 0.000 1.092 407 L CA -0.693 54.128 54.840 -0.033 0.000 0.810 407 L CB 1.550 43.592 42.059 -0.029 0.000 1.153 407 L HN 0.702 nan 8.230 nan 0.000 0.439 408 A N 4.447 127.217 122.820 -0.083 0.000 2.341 408 A HA 0.531 5.997 4.320 1.910 0.000 0.326 408 A C 0.046 177.610 177.584 -0.033 0.000 1.402 408 A CA -0.308 51.635 52.037 -0.157 0.000 0.957 408 A CB 0.181 18.856 19.000 -0.542 0.000 1.151 408 A HN 0.585 nan 8.150 nan 0.000 0.533 409 L N 2.661 123.947 121.223 0.103 0.000 3.014 409 L HA 0.293 5.779 4.340 1.910 0.000 0.263 409 L C 1.201 178.336 176.870 0.443 0.000 1.207 409 L CA 0.139 55.115 54.840 0.227 0.000 1.017 409 L CB 0.012 42.155 42.059 0.140 0.000 1.360 409 L HN 0.699 nan 8.230 nan 0.000 0.560 410 G N -0.085 108.970 108.800 0.425 0.000 2.511 410 G HA2 0.600 5.706 3.960 1.910 0.000 0.316 410 G HA3 0.600 5.706 3.960 1.910 0.000 0.316 410 G C -2.660 172.542 174.900 0.503 0.000 1.210 410 G CA -0.941 44.347 45.100 0.314 0.000 0.969 410 G HN -0.076 nan 8.290 nan 0.000 0.492 411 P HA 0.204 nan 4.420 nan 0.000 0.278 411 P C -0.016 177.475 177.300 0.319 0.000 1.266 411 P CA -0.636 62.748 63.100 0.474 0.000 0.807 411 P CB 0.706 32.726 31.700 0.534 0.000 1.094 412 M N 1.575 121.383 119.600 0.347 0.000 2.286 412 M HA -0.035 5.592 4.480 1.910 0.000 0.365 412 M C 0.574 176.915 176.300 0.069 0.000 1.443 412 M CA 1.359 56.721 55.300 0.103 0.000 0.951 412 M CB -1.654 30.787 32.600 -0.265 0.000 1.961 412 M HN 0.504 nan 8.290 nan 0.000 0.468 413 H N 0.922 119.879 119.070 -0.188 0.000 2.877 413 H HA 0.405 6.106 4.556 1.908 0.000 0.347 413 H C 0.661 175.862 175.328 -0.212 0.000 1.042 413 H CA 0.869 56.747 56.048 -0.282 0.000 1.276 413 H CB 1.371 30.874 29.762 -0.430 0.000 1.681 413 H HN 0.847 nan 8.280 nan 0.000 0.521 414 G N 4.051 112.434 108.800 -0.695 0.000 2.176 414 G HA2 -0.223 4.883 3.960 1.910 0.000 0.232 414 G HA3 -0.223 4.883 3.960 1.910 0.000 0.232 414 G C -0.074 174.618 174.900 -0.346 0.000 0.986 414 G CA 0.139 44.973 45.100 -0.444 0.000 0.643 414 G HN 0.513 nan 8.290 nan 0.000 0.522 415 L N 1.906 122.837 121.223 -0.486 0.000 2.281 415 L HA 0.348 5.834 4.340 1.910 0.000 0.285 415 L C 0.575 177.327 176.870 -0.196 0.000 1.074 415 L CA -0.781 53.750 54.840 -0.516 0.000 0.817 415 L CB 0.962 42.416 42.059 -1.009 0.000 1.168 415 L HN 0.160 nan 8.230 nan 0.000 0.434 416 D N 3.325 123.688 120.400 -0.062 0.000 2.493 416 D HA -0.066 5.720 4.640 1.910 0.000 0.240 416 D C 0.611 176.985 176.300 0.124 0.000 1.142 416 D CA 0.281 54.308 54.000 0.045 0.000 0.872 416 D CB 1.030 41.876 40.800 0.077 0.000 1.173 416 D HN 0.508 nan 8.370 nan 0.000 0.467 417 K N 1.920 122.396 120.400 0.127 0.000 2.525 417 K HA 0.037 5.503 4.320 1.910 0.000 0.192 417 K C 1.375 177.996 176.600 0.034 0.000 1.029 417 K CA 0.276 56.636 56.287 0.123 0.000 1.029 417 K CB 0.425 33.006 32.500 0.135 0.000 0.814 417 K HN 0.407 nan 8.250 nan 0.000 0.503 418 G N 0.275 109.105 108.800 0.051 0.000 3.453 418 G HA2 -0.008 5.098 3.960 1.910 0.000 0.263 418 G HA3 -0.008 5.098 3.960 1.910 0.000 0.263 418 G C 0.900 175.835 174.900 0.058 0.000 1.060 418 G CA -0.288 44.830 45.100 0.030 0.000 0.793 418 G HN 0.049 nan 8.290 nan 0.000 0.532 419 L N 2.002 123.275 121.223 0.084 0.000 2.127 419 L HA -0.129 5.357 4.340 1.910 0.000 0.211 419 L C 2.617 179.564 176.870 0.128 0.000 1.089 419 L CA 2.168 57.104 54.840 0.159 0.000 0.757 419 L CB -0.560 41.596 42.059 0.160 0.000 0.899 419 L HN 0.604 nan 8.230 nan 0.000 0.434 420 N N -1.733 116.969 118.700 0.003 0.000 2.334 420 N HA -0.280 5.606 4.740 1.910 0.000 0.187 420 N C 1.571 177.055 175.510 -0.044 0.000 1.016 420 N CA 1.152 54.186 53.050 -0.025 0.000 0.879 420 N CB -0.404 38.023 38.487 -0.100 0.000 0.965 420 N HN 0.523 nan 8.380 nan 0.000 0.438 421 Q N -1.187 118.540 119.800 -0.122 0.000 2.291 421 Q HA -0.123 5.363 4.340 1.910 0.000 0.206 421 Q C 0.541 176.258 176.000 -0.472 0.000 0.976 421 Q CA 1.196 56.786 55.803 -0.355 0.000 0.875 421 Q CB -0.016 28.381 28.738 -0.568 0.000 0.927 421 Q HN 0.662 nan 8.270 nan 0.000 0.450 422 Y N -1.956 118.395 120.300 0.084 0.000 2.499 422 Y HA 0.287 5.982 4.550 1.909 0.000 0.253 422 Y C -0.195 175.794 175.900 0.149 0.000 1.105 422 Y CA -0.368 57.791 58.100 0.099 0.000 1.240 422 Y CB 1.422 39.939 38.460 0.095 0.000 1.289 422 Y HN -0.256 nan 8.280 nan 0.000 0.534 423 V N 0.375 120.459 119.914 0.284 0.000 2.638 423 V HA 0.298 5.565 4.120 1.910 0.000 0.306 423 V C -0.847 175.386 176.094 0.232 0.000 1.052 423 V CA -0.628 61.863 62.300 0.319 0.000 0.885 423 V CB 2.176 34.240 31.823 0.401 0.000 0.999 423 V HN -0.029 nan 8.190 nan 0.000 0.424 424 D N 2.778 123.339 120.400 0.268 0.000 2.620 424 D HA 0.308 6.094 4.640 1.910 0.000 0.260 424 D C -0.908 175.579 176.300 0.313 0.000 1.367 424 D CA 0.183 54.315 54.000 0.220 0.000 0.805 424 D CB 0.324 41.226 40.800 0.170 0.000 1.096 424 D HN 0.359 nan 8.370 nan 0.000 0.488 425 F N 1.101 121.174 119.950 0.205 0.000 2.839 425 F HA 0.343 6.013 4.527 1.905 0.000 0.344 425 F C -2.106 173.863 175.800 0.282 0.000 1.242 425 F CA -1.095 57.032 58.000 0.211 0.000 1.091 425 F CB 0.963 40.076 39.000 0.189 0.000 1.374 425 F HN -0.230 nan 8.300 nan 0.000 0.553 426 F N 5.800 125.896 119.950 0.244 0.000 2.499 426 F HA 0.665 6.341 4.527 1.916 0.000 0.333 426 F C -0.737 175.165 175.800 0.171 0.000 1.138 426 F CA -0.237 57.898 58.000 0.225 0.000 0.945 426 F CB 1.498 40.586 39.000 0.147 0.000 1.181 426 F HN 0.432 nan 8.300 nan 0.000 0.435 427 T N 3.487 117.807 114.554 -0.390 0.000 2.907 427 T HA 0.755 6.252 4.350 1.910 0.000 0.292 427 T C -0.807 173.538 174.700 -0.591 0.000 1.043 427 T CA -0.741 61.132 62.100 -0.380 0.000 1.003 427 T CB 1.407 70.172 68.868 -0.171 0.000 1.084 427 T HN 0.774 nan 8.240 nan 0.000 0.483 428 V N -0.021 119.680 119.914 -0.356 0.000 2.667 428 V HA 0.756 6.022 4.120 1.910 0.000 0.308 428 V C -0.498 175.458 176.094 -0.230 0.000 1.048 428 V CA -1.044 61.148 62.300 -0.179 0.000 0.928 428 V CB 1.580 33.466 31.823 0.105 0.000 1.004 428 V HN 0.948 nan 8.190 nan 0.000 0.444 429 N N 5.306 123.872 118.700 -0.224 0.000 2.426 429 N HA 0.626 6.513 4.740 1.910 0.000 0.257 429 N C -2.479 173.052 175.510 0.035 0.000 1.002 429 N CA -1.892 51.053 53.050 -0.175 0.000 0.942 429 N CB 1.763 40.179 38.487 -0.119 0.000 1.112 429 N HN 0.664 nan 8.380 nan 0.000 0.499 430 P HA 0.353 nan 4.420 nan 0.000 0.314 430 P C -0.380 176.894 177.300 -0.044 0.000 1.306 430 P CA -0.547 62.636 63.100 0.138 0.000 0.782 430 P CB 1.321 33.239 31.700 0.364 0.000 1.337 431 M N -0.035 119.510 119.600 -0.092 0.000 2.291 431 M HA 0.157 5.783 4.480 1.910 0.000 0.324 431 M C 1.856 177.664 176.300 -0.819 0.000 1.148 431 M CA -0.140 54.950 55.300 -0.350 0.000 1.104 431 M CB 0.384 32.931 32.600 -0.088 0.000 1.483 431 M HN 0.457 nan 8.290 nan 0.000 0.467 432 E N 0.208 119.696 120.200 -1.186 0.000 2.267 432 E HA -0.184 5.312 4.350 1.910 0.000 0.197 432 E C -0.131 176.345 176.600 -0.207 0.000 0.998 432 E CA 1.176 57.000 56.400 -0.960 0.000 0.830 432 E CB -0.241 29.132 29.700 -0.545 0.000 0.751 432 E HN 0.522 nan 8.360 nan 0.000 0.491 433 H N 0.631 119.695 119.070 -0.010 0.000 3.008 433 H HA 0.317 6.019 4.556 1.908 0.000 0.268 433 H C 0.838 176.188 175.328 0.037 0.000 1.323 433 H CA 0.292 56.362 56.048 0.037 0.000 1.401 433 H CB 1.000 30.767 29.762 0.009 0.000 1.556 433 H HN 0.279 nan 8.280 nan 0.000 0.502 434 A N 2.918 125.744 122.820 0.010 0.000 1.933 434 A HA -0.218 5.248 4.320 1.910 0.000 0.218 434 A C 2.332 179.755 177.584 -0.269 0.000 1.175 434 A CA 1.698 53.500 52.037 -0.392 0.000 0.628 434 A CB 0.006 18.381 19.000 -1.041 0.000 0.814 434 A HN 0.526 nan 8.150 nan 0.000 0.444 435 E N -0.581 119.516 120.200 -0.172 0.000 2.072 435 E HA -0.059 5.437 4.350 1.910 0.000 0.190 435 E C 1.595 178.149 176.600 -0.077 0.000 0.982 435 E CA 0.830 57.127 56.400 -0.171 0.000 0.803 435 E CB -0.244 29.377 29.700 -0.131 0.000 0.755 435 E HN 0.359 nan 8.360 nan 0.000 0.453 436 L N 0.267 121.505 121.223 0.025 0.000 2.313 436 L HA 0.078 5.564 4.340 1.910 0.000 0.214 436 L C 2.115 179.051 176.870 0.110 0.000 1.119 436 L CA 1.016 55.912 54.840 0.094 0.000 0.809 436 L CB -0.452 41.665 42.059 0.097 0.000 0.933 436 L HN 0.026 nan 8.230 nan 0.000 0.449 437 S N -0.631 115.130 115.700 0.102 0.000 2.442 437 S HA -0.188 5.428 4.470 1.910 0.000 0.236 437 S C 1.899 176.611 174.600 0.187 0.000 1.007 437 S CA 0.922 59.217 58.200 0.158 0.000 0.965 437 S CB -0.156 63.178 63.200 0.223 0.000 0.773 437 S HN 0.422 nan 8.310 nan 0.000 0.504 438 K N 0.843 121.277 120.400 0.056 0.000 2.152 438 K HA -0.052 5.414 4.320 1.910 0.000 0.206 438 K C 1.756 178.524 176.600 0.279 0.000 1.048 438 K CA 1.095 57.392 56.287 0.017 0.000 0.933 438 K CB -0.317 31.864 32.500 -0.532 0.000 0.721 438 K HN 0.383 nan 8.250 nan 0.000 0.447 439 I N 0.033 120.745 120.570 0.235 0.000 2.142 439 I HA -0.302 5.014 4.170 1.910 0.000 0.240 439 I C 2.583 178.933 176.117 0.388 0.000 1.078 439 I CA 1.163 62.625 61.300 0.270 0.000 1.343 439 I CB -0.357 37.778 38.000 0.224 0.000 1.046 439 I HN 0.112 nan 8.210 nan 0.000 0.405 440 S N 0.687 116.626 115.700 0.398 0.000 2.383 440 S HA -0.067 5.549 4.470 1.910 0.000 0.227 440 S C 2.068 176.950 174.600 0.470 0.000 1.026 440 S CA 1.012 59.493 58.200 0.469 0.000 0.981 440 S CB -0.281 63.195 63.200 0.460 0.000 0.818 440 S HN 0.283 nan 8.310 nan 0.000 0.472 441 I N 1.045 121.892 120.570 0.462 0.000 2.226 441 I HA -0.190 5.126 4.170 1.910 0.000 0.245 441 I C 2.563 178.951 176.117 0.452 0.000 1.100 441 I CA 1.532 63.114 61.300 0.469 0.000 1.374 441 I CB -0.577 37.765 38.000 0.570 0.000 1.057 441 I HN 0.473 nan 8.210 nan 0.000 0.413 442 H N 1.165 120.495 119.070 0.435 0.000 2.353 442 H HA -0.218 5.481 4.556 1.905 0.000 0.298 442 H C 2.375 177.869 175.328 0.277 0.000 1.103 442 H CA 2.434 58.675 56.048 0.322 0.000 1.293 442 H CB 0.019 30.000 29.762 0.366 0.000 1.372 442 H HN 0.432 nan 8.280 nan 0.000 0.501 443 T N -1.883 112.973 114.554 0.504 0.000 2.951 443 T HA 0.089 5.585 4.350 1.910 0.000 0.268 443 T C 2.202 177.115 174.700 0.355 0.000 1.073 443 T CA 0.993 63.391 62.100 0.496 0.000 1.134 443 T CB -0.446 68.780 68.868 0.597 0.000 0.884 443 T HN 0.367 nan 8.240 nan 0.000 0.479 444 A N 1.612 124.627 122.820 0.325 0.000 1.969 444 A HA 0.439 5.906 4.320 1.910 0.000 0.218 444 A C 2.817 180.543 177.584 0.236 0.000 1.169 444 A CA 1.533 53.759 52.037 0.314 0.000 0.635 444 A CB -1.325 17.944 19.000 0.448 0.000 0.810 444 A HN 0.746 nan 8.150 nan 0.000 0.445 445 A N 0.066 122.977 122.820 0.153 0.000 1.908 445 A HA -0.238 5.228 4.320 1.910 0.000 0.218 445 A C 1.855 179.470 177.584 0.053 0.000 1.181 445 A CA 2.273 54.335 52.037 0.041 0.000 0.627 445 A CB -0.639 18.282 19.000 -0.130 0.000 0.818 445 A HN 0.557 nan 8.150 nan 0.000 0.445 446 D N -2.548 117.904 120.400 0.087 0.000 2.162 446 D HA -0.133 5.653 4.640 1.910 0.000 0.203 446 D C 1.716 178.123 176.300 0.179 0.000 0.967 446 D CA 1.104 55.194 54.000 0.151 0.000 0.840 446 D CB -0.229 40.718 40.800 0.244 0.000 0.972 446 D HN 0.506 nan 8.370 nan 0.000 0.482 447 Y N 0.722 120.958 120.300 -0.106 0.000 2.242 447 Y HA -0.127 5.566 4.550 1.904 0.000 0.291 447 Y C 2.272 177.984 175.900 -0.313 0.000 1.137 447 Y CA 2.048 59.870 58.100 -0.464 0.000 1.181 447 Y CB -0.450 37.373 38.460 -1.063 0.000 0.989 447 Y HN 0.075 nan 8.280 nan 0.000 0.527 448 S N -0.778 114.746 115.700 -0.294 0.000 2.446 448 S HA -0.136 5.481 4.470 1.910 0.000 0.225 448 S C 1.916 176.424 174.600 -0.154 0.000 1.016 448 S CA 0.445 58.442 58.200 -0.338 0.000 0.943 448 S CB -1.033 62.134 63.200 -0.055 0.000 0.786 448 S HN 0.732 nan 8.310 nan 0.000 0.508 449 W N 2.437 123.613 121.300 -0.207 0.000 2.525 449 W HA 0.336 6.139 4.660 1.905 0.000 0.288 449 W C 0.127 176.536 176.519 -0.184 0.000 1.200 449 W CA 0.409 57.652 57.345 -0.170 0.000 1.349 449 W CB -0.105 29.262 29.460 -0.154 0.000 1.102 449 W HN 0.294 nan 8.180 nan 0.000 0.558 450 N N 1.439 120.191 118.700 0.087 0.000 2.844 450 N HA 0.068 5.954 4.740 1.910 0.000 0.268 450 N C 0.814 176.287 175.510 -0.062 0.000 1.574 450 N CA -0.045 53.005 53.050 -0.001 0.000 0.838 450 N CB -0.080 38.480 38.487 0.121 0.000 1.177 450 N HN 0.065 nan 8.380 nan 0.000 0.495 451 M N 0.629 120.096 119.600 -0.221 0.000 2.067 451 M HA -0.166 5.460 4.480 1.910 0.000 0.260 451 M C 1.355 177.596 176.300 -0.098 0.000 1.069 451 M CA 1.918 57.013 55.300 -0.341 0.000 1.117 451 M CB -0.034 32.252 32.600 -0.525 0.000 1.334 451 M HN 0.299 nan 8.290 nan 0.000 0.407 452 D N -0.093 120.261 120.400 -0.076 0.000 2.190 452 D HA -0.187 5.599 4.640 1.910 0.000 0.200 452 D C 0.757 177.076 176.300 0.032 0.000 0.992 452 D CA 1.609 55.598 54.000 -0.017 0.000 0.854 452 D CB -0.116 40.666 40.800 -0.030 0.000 0.936 452 D HN 0.548 nan 8.370 nan 0.000 0.462 453 N N -1.436 117.290 118.700 0.044 0.000 2.235 453 N HA 0.040 5.926 4.740 1.910 0.000 0.209 453 N C -0.768 174.806 175.510 0.106 0.000 1.122 453 N CA -0.370 52.713 53.050 0.055 0.000 0.845 453 N CB 0.234 38.737 38.487 0.027 0.000 1.004 453 N HN 0.191 nan 8.380 nan 0.000 0.499 454 Y N 2.107 122.435 120.300 0.046 0.000 2.569 454 Y HA 0.037 5.735 4.550 1.913 0.000 0.332 454 Y C -0.290 175.677 175.900 0.113 0.000 1.120 454 Y CA -0.127 58.040 58.100 0.111 0.000 1.416 454 Y CB 0.266 38.855 38.460 0.214 0.000 1.210 454 Y HN 0.016 nan 8.280 nan 0.000 0.528 455 D N 5.935 126.030 120.400 -0.509 0.000 2.471 455 D HA 0.016 5.802 4.640 1.910 0.000 0.245 455 D C 0.195 176.091 176.300 -0.674 0.000 1.116 455 D CA -0.533 53.193 54.000 -0.457 0.000 0.853 455 D CB 0.523 41.176 40.800 -0.244 0.000 1.123 455 D HN 0.668 nan 8.370 nan 0.000 0.540 456 Y N 2.752 122.710 120.300 -0.570 0.000 2.242 456 Y HA -0.035 5.661 4.550 1.909 0.000 0.291 456 Y C 1.605 177.476 175.900 -0.047 0.000 1.137 456 Y CA 1.329 59.210 58.100 -0.364 0.000 1.181 456 Y CB -0.491 37.979 38.460 0.015 0.000 0.989 456 Y HN 0.307 nan 8.280 nan 0.000 0.527 457 D N 0.487 120.590 120.400 -0.495 0.000 2.097 457 D HA -0.170 5.616 4.640 1.910 0.000 0.195 457 D C 1.854 178.183 176.300 0.048 0.000 0.989 457 D CA 1.824 55.735 54.000 -0.147 0.000 0.827 457 D CB -0.048 40.579 40.800 -0.289 0.000 0.966 457 D HN 0.422 nan 8.370 nan 0.000 0.456 458 K N -0.100 120.258 120.400 -0.070 0.000 2.057 458 K HA -0.017 5.449 4.320 1.910 0.000 0.206 458 K C 2.214 178.853 176.600 0.065 0.000 1.050 458 K CA 1.026 57.309 56.287 -0.007 0.000 0.935 458 K CB -0.156 32.312 32.500 -0.053 0.000 0.715 458 K HN 0.133 nan 8.250 nan 0.000 0.439 459 A N 0.823 123.679 122.820 0.060 0.000 1.902 459 A HA -0.196 5.270 4.320 1.910 0.000 0.217 459 A C 1.917 179.687 177.584 0.310 0.000 1.181 459 A CA 1.275 53.433 52.037 0.201 0.000 0.623 459 A CB -0.839 18.315 19.000 0.257 0.000 0.818 459 A HN 0.573 nan 8.150 nan 0.000 0.443 460 W N 1.432 122.819 121.300 0.144 0.000 2.354 460 W HA -0.167 5.636 4.660 1.906 0.000 0.315 460 W C 2.052 178.624 176.519 0.088 0.000 1.206 460 W CA 1.888 59.324 57.345 0.151 0.000 1.290 460 W CB -0.318 29.236 29.460 0.155 0.000 1.152 460 W HN 0.364 nan 8.180 nan 0.000 0.489 461 N N 0.216 118.972 118.700 0.094 0.000 2.104 461 N HA -0.230 5.657 4.740 1.910 0.000 0.190 461 N C 1.873 177.307 175.510 -0.125 0.000 1.024 461 N CA 1.859 54.844 53.050 -0.109 0.000 0.853 461 N CB -0.583 37.924 38.487 0.033 0.000 1.008 461 N HN 0.275 nan 8.380 nan 0.000 0.424 462 R N 0.962 121.451 120.500 -0.019 0.000 2.092 462 R HA 0.006 5.492 4.340 1.910 0.000 0.231 462 R C 2.177 178.418 176.300 -0.099 0.000 1.119 462 R CA 1.170 57.272 56.100 0.003 0.000 0.970 462 R CB -0.108 30.256 30.300 0.105 0.000 0.864 462 R HN 0.129 nan 8.270 nan 0.000 0.440 463 A N 1.073 123.795 122.820 -0.162 0.000 1.877 463 A HA -0.147 5.319 4.320 1.910 0.000 0.216 463 A C 2.127 179.497 177.584 -0.356 0.000 1.186 463 A CA 1.508 53.223 52.037 -0.537 0.000 0.620 463 A CB -0.518 18.400 19.000 -0.136 0.000 0.822 463 A HN 0.354 nan 8.150 nan 0.000 0.443 464 I N -0.256 120.134 120.570 -0.300 0.000 2.252 464 I HA -0.213 5.103 4.170 1.910 0.000 0.245 464 I C 1.883 177.954 176.117 -0.077 0.000 1.102 464 I CA 1.334 62.513 61.300 -0.202 0.000 1.385 464 I CB -0.555 37.149 38.000 -0.494 0.000 1.064 464 I HN 0.260 nan 8.210 nan 0.000 0.414 465 D N 0.866 121.189 120.400 -0.127 0.000 2.116 465 D HA -0.208 5.578 4.640 1.910 0.000 0.193 465 D C 2.249 178.524 176.300 -0.041 0.000 0.998 465 D CA 1.657 55.618 54.000 -0.065 0.000 0.836 465 D CB -0.162 40.602 40.800 -0.059 0.000 0.951 465 D HN 0.358 nan 8.370 nan 0.000 0.449 466 M N -0.399 119.156 119.600 -0.074 0.000 2.349 466 M HA 0.021 5.647 4.480 1.910 0.000 0.266 466 M C 2.065 178.331 176.300 -0.056 0.000 1.076 466 M CA 0.544 55.817 55.300 -0.046 0.000 1.126 466 M CB 0.240 32.840 32.600 -0.001 0.000 1.392 466 M HN -0.041 nan 8.290 nan 0.000 0.440 467 L N -2.116 119.055 121.223 -0.086 0.000 2.298 467 L HA -0.048 5.439 4.340 1.910 0.000 0.209 467 L C 1.245 177.898 176.870 -0.361 0.000 1.084 467 L CA 0.841 55.565 54.840 -0.192 0.000 0.816 467 L CB -0.015 41.929 42.059 -0.192 0.000 0.967 467 L HN 0.231 nan 8.230 nan 0.000 0.460 468 Y N -0.757 119.486 120.300 -0.095 0.000 2.481 468 Y HA 0.315 6.010 4.550 1.909 0.000 0.247 468 Y C 1.817 177.677 175.900 -0.067 0.000 1.151 468 Y CA 0.165 58.216 58.100 -0.081 0.000 1.238 468 Y CB 0.258 38.666 38.460 -0.087 0.000 1.179 468 Y HN 0.156 nan 8.280 nan 0.000 0.524 469 G N 1.143 109.965 108.800 0.036 0.000 2.692 469 G HA2 -0.470 4.636 3.960 1.910 0.000 0.339 469 G HA3 -0.470 4.636 3.960 1.910 0.000 0.339 469 G C 1.033 175.943 174.900 0.018 0.000 1.226 469 G CA 1.348 46.453 45.100 0.008 0.000 0.979 469 G HN 0.318 nan 8.290 nan 0.000 0.549 470 D N 0.738 121.145 120.400 0.012 0.000 2.269 470 D HA 0.057 5.843 4.640 1.910 0.000 0.208 470 D C 2.355 178.664 176.300 0.015 0.000 0.963 470 D CA 0.809 54.813 54.000 0.007 0.000 0.864 470 D CB -0.083 40.716 40.800 -0.001 0.000 0.936 470 D HN 0.377 nan 8.370 nan 0.000 0.505 471 L N 0.090 121.338 121.223 0.043 0.000 2.653 471 L HA 0.287 5.773 4.340 1.910 0.000 0.231 471 L C 2.016 178.899 176.870 0.021 0.000 1.153 471 L CA -0.238 54.626 54.840 0.040 0.000 0.933 471 L CB 0.100 42.204 42.059 0.075 0.000 1.175 471 L HN -0.104 nan 8.230 nan 0.000 0.473 472 A N 0.278 123.112 122.820 0.023 0.000 1.877 472 A HA -0.151 5.315 4.320 1.910 0.000 0.216 472 A C 2.208 179.742 177.584 -0.084 0.000 1.186 472 A CA 1.295 53.314 52.037 -0.029 0.000 0.620 472 A CB -0.117 18.871 19.000 -0.020 0.000 0.822 472 A HN 0.300 nan 8.150 nan 0.000 0.443 473 E N 0.525 120.698 120.200 -0.046 0.000 2.110 473 E HA -0.161 5.335 4.350 1.910 0.000 0.193 473 E C 1.504 178.092 176.600 -0.020 0.000 0.988 473 E CA 1.328 57.707 56.400 -0.035 0.000 0.804 473 E CB -0.446 29.245 29.700 -0.015 0.000 0.745 473 E HN 0.572 nan 8.360 nan 0.000 0.458 474 D N 0.226 120.614 120.400 -0.019 0.000 2.117 474 D HA -0.126 5.660 4.640 1.910 0.000 0.198 474 D C 1.907 178.208 176.300 0.001 0.000 0.982 474 D CA 0.742 54.741 54.000 -0.002 0.000 0.828 474 D CB -0.221 40.571 40.800 -0.014 0.000 0.967 474 D HN 0.073 nan 8.370 nan 0.000 0.464 475 M N 1.010 120.560 119.600 -0.084 0.000 2.149 475 M HA -0.129 5.497 4.480 1.910 0.000 0.261 475 M C 1.664 177.920 176.300 -0.072 0.000 1.064 475 M CA 1.545 56.752 55.300 -0.156 0.000 1.102 475 M CB -0.077 32.189 32.600 -0.556 0.000 1.369 475 M HN -0.184 nan 8.290 nan 0.000 0.408 476 K N -1.209 119.120 120.400 -0.119 0.000 2.097 476 K HA -0.121 5.345 4.320 1.910 0.000 0.206 476 K C 1.819 178.541 176.600 0.205 0.000 1.049 476 K CA 1.569 57.817 56.287 -0.065 0.000 0.933 476 K CB -0.433 31.994 32.500 -0.120 0.000 0.717 476 K HN 0.231 nan 8.250 nan 0.000 0.442 477 V N 1.067 121.081 119.914 0.167 0.000 2.295 477 V HA -0.256 5.011 4.120 1.910 0.000 0.246 477 V C 1.964 178.249 176.094 0.319 0.000 1.049 477 V CA 1.819 64.254 62.300 0.225 0.000 1.024 477 V CB -0.486 31.437 31.823 0.167 0.000 0.648 477 V HN 0.242 nan 8.190 nan 0.000 0.447 478 F N 1.612 121.633 119.950 0.118 0.000 2.060 478 F HA -0.079 5.593 4.527 1.907 0.000 0.295 478 F C 2.312 178.216 175.800 0.173 0.000 1.120 478 F CA 1.568 59.633 58.000 0.108 0.000 1.205 478 F CB -0.861 38.146 39.000 0.012 0.000 0.986 478 F HN 0.055 nan 8.300 nan 0.000 0.470 479 A N 0.281 123.071 122.820 -0.051 0.000 1.978 479 A HA -0.272 5.194 4.320 1.910 0.000 0.220 479 A C 2.016 179.697 177.584 0.162 0.000 1.170 479 A CA 1.897 53.909 52.037 -0.041 0.000 0.636 479 A CB -1.339 17.791 19.000 0.216 0.000 0.810 479 A HN 0.587 nan 8.150 nan 0.000 0.448 480 N N -0.250 118.637 118.700 0.312 0.000 2.192 480 N HA -0.188 5.698 4.740 1.910 0.000 0.188 480 N C 1.341 176.736 175.510 -0.191 0.000 1.013 480 N CA 1.545 54.603 53.050 0.013 0.000 0.863 480 N CB -0.475 38.076 38.487 0.108 0.000 0.990 480 N HN 0.671 nan 8.380 nan 0.000 0.430 481 H N -1.847 117.163 119.070 -0.100 0.000 2.533 481 H HA 0.190 5.892 4.556 1.910 0.000 0.271 481 H C 0.100 175.332 175.328 -0.161 0.000 1.000 481 H CA 0.322 56.301 56.048 -0.115 0.000 1.149 481 H CB 0.284 30.004 29.762 -0.071 0.000 1.375 481 H HN 0.058 nan 8.280 nan 0.000 0.582 482 S N 0.261 115.888 115.700 -0.121 0.000 2.539 482 S HA 0.081 5.697 4.470 1.910 0.000 0.185 482 S C 1.031 175.595 174.600 -0.060 0.000 1.181 482 S CA -0.276 57.848 58.200 -0.126 0.000 1.216 482 S CB -0.090 62.944 63.200 -0.277 0.000 1.476 482 S HN 0.514 nan 8.310 nan 0.000 0.395 483 T N -1.229 113.291 114.554 -0.057 0.000 2.978 483 T HA 0.348 5.845 4.350 1.910 0.000 0.248 483 T C 0.626 175.366 174.700 0.067 0.000 1.018 483 T CA -0.183 61.919 62.100 0.003 0.000 1.026 483 T CB 0.069 68.830 68.868 -0.178 0.000 1.032 483 T HN 0.269 nan 8.240 nan 0.000 0.485 484 R N 1.754 122.250 120.500 -0.008 0.000 2.221 484 R HA 0.528 6.015 4.340 1.910 0.000 0.327 484 R C -0.693 175.627 176.300 0.033 0.000 1.033 484 R CA -0.528 55.568 56.100 -0.006 0.000 0.887 484 R CB 0.228 30.486 30.300 -0.071 0.000 1.057 484 R HN 0.161 nan 8.270 nan 0.000 0.455 485 M N 3.025 122.671 119.600 0.076 0.000 2.268 485 M HA 0.330 5.956 4.480 1.910 0.000 0.344 485 M C -1.140 175.110 176.300 -0.083 0.000 1.106 485 M CA -0.586 54.740 55.300 0.044 0.000 1.010 485 M CB 1.608 34.317 32.600 0.181 0.000 1.649 485 M HN 0.584 nan 8.290 nan 0.000 0.443 486 D N 2.292 122.511 120.400 -0.301 0.000 2.548 486 D HA 0.124 5.910 4.640 1.910 0.000 0.214 486 D C -0.225 175.594 176.300 -0.803 0.000 1.345 486 D CA -0.191 53.564 54.000 -0.409 0.000 0.945 486 D CB 0.963 41.596 40.800 -0.279 0.000 1.499 486 D HN 0.615 nan 8.370 nan 0.000 0.579 487 N N 2.968 121.274 118.700 -0.657 0.000 2.322 487 N HA -0.004 5.883 4.740 1.910 0.000 0.194 487 N C 0.421 175.722 175.510 -0.349 0.000 1.126 487 N CA -0.018 52.649 53.050 -0.639 0.000 0.845 487 N CB 0.168 38.447 38.487 -0.347 0.000 0.976 487 N HN 0.405 nan 8.380 nan 0.000 0.475 488 K N -1.714 118.503 120.400 -0.306 0.000 3.587 488 K HA -0.179 5.287 4.320 1.910 0.000 0.294 488 K C 0.652 177.186 176.600 -0.110 0.000 1.279 488 K CA 1.766 57.956 56.287 -0.162 0.000 1.004 488 K CB -2.214 30.231 32.500 -0.093 0.000 1.276 488 K HN 0.679 nan 8.250 nan 0.000 0.459 489 T N -3.059 111.408 114.554 -0.145 0.000 2.638 489 T HA 0.208 5.705 4.350 1.910 0.000 0.169 489 T C 1.495 176.169 174.700 -0.044 0.000 0.790 489 T CA 0.120 62.194 62.100 -0.043 0.000 1.151 489 T CB -0.392 68.525 68.868 0.082 0.000 2.581 489 T HN 0.283 nan 8.240 nan 0.000 0.391 490 W N 2.594 123.840 121.300 -0.091 0.000 2.863 490 W HA 0.676 6.480 4.660 1.906 0.000 0.258 490 W C 0.130 176.547 176.519 -0.170 0.000 1.298 490 W CA -0.065 57.212 57.345 -0.113 0.000 1.451 490 W CB -0.373 29.022 29.460 -0.108 0.000 1.107 490 W HN 0.540 nan 8.180 nan 0.000 0.641 491 A N 2.928 125.209 122.820 -0.899 0.000 2.304 491 A HA 0.642 6.108 4.320 1.910 0.000 0.314 491 A C -0.353 176.860 177.584 -0.618 0.000 1.187 491 A CA -0.662 50.731 52.037 -1.072 0.000 0.810 491 A CB 0.678 18.340 19.000 -2.229 0.000 1.183 491 A HN 0.248 nan 8.150 nan 0.000 0.487 492 K N 0.387 120.556 120.400 -0.385 0.000 2.569 492 K HA 0.752 6.218 4.320 1.910 0.000 0.259 492 K C -1.260 175.269 176.600 -0.118 0.000 0.932 492 K CA -0.466 55.694 56.287 -0.212 0.000 0.833 492 K CB 1.637 34.036 32.500 -0.168 0.000 1.340 492 K HN 0.747 nan 8.250 nan 0.000 0.429 493 S N 0.509 116.190 115.700 -0.033 0.000 2.597 493 S HA 0.764 6.381 4.470 1.910 0.000 0.274 493 S C -1.319 173.301 174.600 0.032 0.000 1.132 493 S CA 0.433 58.637 58.200 0.007 0.000 0.835 493 S CB 1.357 64.535 63.200 -0.037 0.000 1.092 493 S HN 1.733 nan 8.310 nan 0.000 0.457 494 G N 2.386 111.119 108.800 -0.111 0.000 2.539 494 G HA2 0.085 5.191 3.960 1.910 0.000 0.686 494 G HA3 0.085 5.191 3.960 1.910 0.000 0.686 494 G C -0.921 173.711 174.900 -0.447 0.000 1.258 494 G CA -0.535 44.370 45.100 -0.324 0.000 0.846 494 G HN 0.786 nan 8.290 nan 0.000 0.647 495 R N 0.529 120.562 120.500 -0.778 0.000 2.679 495 R HA 0.172 5.659 4.340 1.910 0.000 0.268 495 R C 0.451 176.465 176.300 -0.476 0.000 1.044 495 R CA -0.228 55.270 56.100 -1.002 0.000 1.105 495 R CB 0.262 30.065 30.300 -0.828 0.000 0.989 495 R HN 0.552 nan 8.270 nan 0.000 0.447 496 E N 2.228 122.206 120.200 -0.371 0.000 2.415 496 E HA -0.046 5.450 4.350 1.910 0.000 0.262 496 E C -0.467 176.002 176.600 -0.218 0.000 1.038 496 E CA 0.267 56.538 56.400 -0.215 0.000 0.921 496 E CB 0.361 29.975 29.700 -0.143 0.000 0.950 496 E HN 0.456 nan 8.360 nan 0.000 0.438 497 D N 0.627 120.927 120.400 -0.166 0.000 2.423 497 D HA 0.103 5.890 4.640 1.910 0.000 0.238 497 D C 0.205 176.365 176.300 -0.234 0.000 1.142 497 D CA 0.308 54.193 54.000 -0.191 0.000 0.884 497 D CB 0.441 41.175 40.800 -0.110 0.000 1.199 497 D HN 0.491 nan 8.370 nan 0.000 0.438 498 A N 3.628 126.236 122.820 -0.353 0.000 1.991 498 A HA -0.153 5.313 4.320 1.910 0.000 0.257 498 A C -1.148 176.308 177.584 -0.214 0.000 1.283 498 A CA 0.028 51.836 52.037 -0.383 0.000 0.762 498 A CB -0.857 17.703 19.000 -0.734 0.000 1.135 498 A HN 0.448 nan 8.150 nan 0.000 0.321 499 P HA -0.121 nan 4.420 nan 0.000 0.219 499 P C 0.980 178.236 177.300 -0.073 0.000 1.150 499 P CA 1.533 64.574 63.100 -0.099 0.000 0.814 499 P CB 0.154 31.804 31.700 -0.083 0.000 0.787 500 E N 0.417 120.567 120.200 -0.083 0.000 2.047 500 E HA -0.141 5.355 4.350 1.910 0.000 0.191 500 E C 2.075 178.630 176.600 -0.075 0.000 0.987 500 E CA 0.645 57.005 56.400 -0.067 0.000 0.799 500 E CB -1.604 28.059 29.700 -0.063 0.000 0.752 500 E HN 0.123 nan 8.360 nan 0.000 0.449 501 L N 0.996 122.164 121.223 -0.091 0.000 2.046 501 L HA -0.093 5.393 4.340 1.910 0.000 0.208 501 L C 2.280 179.112 176.870 -0.064 0.000 1.077 501 L CA 1.680 56.465 54.840 -0.093 0.000 0.747 501 L CB -0.404 41.617 42.059 -0.065 0.000 0.896 501 L HN -0.024 nan 8.230 nan 0.000 0.432 502 R N 0.433 120.911 120.500 -0.037 0.000 2.105 502 R HA -0.078 5.408 4.340 1.910 0.000 0.239 502 R C 2.057 178.369 176.300 0.020 0.000 1.135 502 R CA 1.814 57.923 56.100 0.016 0.000 0.967 502 R CB -1.160 29.150 30.300 0.016 0.000 0.861 502 R HN 0.487 nan 8.270 nan 0.000 0.442 503 A N 0.760 123.575 122.820 -0.009 0.000 1.930 503 A HA -0.097 5.370 4.320 1.910 0.000 0.217 503 A C 2.026 179.597 177.584 -0.022 0.000 1.175 503 A CA 1.494 53.529 52.037 -0.003 0.000 0.627 503 A CB -0.342 18.650 19.000 -0.013 0.000 0.815 503 A HN 0.369 nan 8.150 nan 0.000 0.443 504 K N -0.832 119.531 120.400 -0.062 0.000 2.097 504 K HA -0.054 5.412 4.320 1.910 0.000 0.205 504 K C 2.053 178.574 176.600 -0.132 0.000 1.050 504 K CA 1.548 57.772 56.287 -0.104 0.000 0.938 504 K CB -0.305 32.105 32.500 -0.150 0.000 0.718 504 K HN 0.522 nan 8.250 nan 0.000 0.442 505 M N 1.054 120.586 119.600 -0.114 0.000 2.086 505 M HA -0.187 5.439 4.480 1.910 0.000 0.261 505 M C 1.504 177.759 176.300 -0.075 0.000 1.067 505 M CA 1.483 56.724 55.300 -0.100 0.000 1.116 505 M CB -0.361 32.309 32.600 0.116 0.000 1.348 505 M HN 0.019 nan 8.290 nan 0.000 0.407 506 D N 0.311 120.763 120.400 0.087 0.000 2.116 506 D HA -0.199 5.587 4.640 1.910 0.000 0.193 506 D C 1.890 178.254 176.300 0.106 0.000 0.998 506 D CA 1.467 55.575 54.000 0.178 0.000 0.836 506 D CB -0.368 40.518 40.800 0.142 0.000 0.951 506 D HN 0.316 nan 8.370 nan 0.000 0.449 507 E N 0.274 120.484 120.200 0.018 0.000 2.204 507 E HA -0.110 5.386 4.350 1.910 0.000 0.194 507 E C 1.924 178.501 176.600 -0.038 0.000 0.989 507 E CA 0.235 56.637 56.400 0.004 0.000 0.824 507 E CB -0.334 29.354 29.700 -0.020 0.000 0.756 507 E HN 0.194 nan 8.360 nan 0.000 0.477 508 L N -0.580 120.546 121.223 -0.161 0.000 2.017 508 L HA -0.078 5.409 4.340 1.910 0.000 0.208 508 L C 1.890 178.665 176.870 -0.158 0.000 1.073 508 L CA 1.937 56.616 54.840 -0.269 0.000 0.745 508 L CB -0.710 41.051 42.059 -0.498 0.000 0.894 508 L HN 0.291 nan 8.230 nan 0.000 0.432 509 W N -0.339 121.051 121.300 0.150 0.000 2.402 509 W HA -0.120 5.685 4.660 1.910 0.000 0.286 509 W C 2.384 179.023 176.519 0.200 0.000 1.221 509 W CA 0.358 57.836 57.345 0.220 0.000 1.257 509 W CB -0.557 29.062 29.460 0.264 0.000 1.120 509 W HN 0.212 nan 8.180 nan 0.000 0.551 510 N N 1.059 119.944 118.700 0.309 0.000 2.084 510 N HA -0.150 5.736 4.740 1.910 0.000 0.190 510 N C 1.469 177.077 175.510 0.162 0.000 1.030 510 N CA 1.485 54.657 53.050 0.203 0.000 0.849 510 N CB -0.609 37.956 38.487 0.130 0.000 1.012 510 N HN 0.265 nan 8.380 nan 0.000 0.423 511 K N 0.760 121.229 120.400 0.115 0.000 2.026 511 K HA -0.006 5.460 4.320 1.910 0.000 0.208 511 K C 2.224 178.887 176.600 0.105 0.000 1.048 511 K CA 0.738 57.072 56.287 0.078 0.000 0.929 511 K CB -0.262 32.253 32.500 0.025 0.000 0.713 511 K HN 0.126 nan 8.250 nan 0.000 0.439 512 L N 1.116 122.418 121.223 0.132 0.000 2.046 512 L HA -0.176 5.310 4.340 1.910 0.000 0.208 512 L C 2.561 179.603 176.870 0.286 0.000 1.077 512 L CA 1.490 56.413 54.840 0.139 0.000 0.747 512 L CB -0.537 41.523 42.059 0.002 0.000 0.896 512 L HN 0.267 nan 8.230 nan 0.000 0.432 513 S N -2.364 113.581 115.700 0.408 0.000 2.522 513 S HA -0.029 5.587 4.470 1.910 0.000 0.227 513 S C 1.666 176.373 174.600 0.179 0.000 0.986 513 S CA 0.651 59.056 58.200 0.341 0.000 0.929 513 S CB 0.004 63.366 63.200 0.271 0.000 0.769 513 S HN 0.252 nan 8.310 nan 0.000 0.529 514 S N 2.058 117.847 115.700 0.148 0.000 2.605 514 S HA 0.201 5.817 4.470 1.910 0.000 0.217 514 S C 0.213 174.861 174.600 0.079 0.000 0.958 514 S CA -0.260 57.997 58.200 0.095 0.000 0.919 514 S CB -0.257 62.990 63.200 0.079 0.000 0.780 514 S HN 0.713 nan 8.310 nan 0.000 0.507 515 K N 0.770 121.225 120.400 0.092 0.000 3.020 515 K HA -0.230 5.236 4.320 1.910 0.000 0.266 515 K C -0.891 175.739 176.600 0.049 0.000 1.067 515 K CA 0.891 57.219 56.287 0.069 0.000 0.780 515 K CB -2.375 30.159 32.500 0.057 0.000 1.220 515 K HN 0.492 nan 8.250 nan 0.000 0.483 516 E N 1.603 121.833 120.200 0.050 0.000 2.301 516 E HA 0.107 5.603 4.350 1.910 0.000 0.275 516 E C -0.108 176.507 176.600 0.024 0.000 1.030 516 E CA -0.768 55.652 56.400 0.034 0.000 0.852 516 E CB 0.786 30.506 29.700 0.032 0.000 1.060 516 E HN 0.086 nan 8.360 nan 0.000 0.401 517 D N 1.413 121.823 120.400 0.016 0.000 2.450 517 D HA -0.011 5.775 4.640 1.910 0.000 0.247 517 D C -0.388 175.912 176.300 0.000 0.000 1.162 517 D CA 0.284 54.289 54.000 0.009 0.000 0.879 517 D CB 0.951 41.755 40.800 0.008 0.000 1.163 517 D HN 0.522 nan 8.370 nan 0.000 0.472 518 A N 2.977 125.793 122.820 -0.006 0.000 2.538 518 A HA 0.119 5.585 4.320 1.910 0.000 0.269 518 A C 1.873 179.444 177.584 -0.021 0.000 1.231 518 A CA -0.248 51.775 52.037 -0.024 0.000 0.948 518 A CB 0.327 19.301 19.000 -0.044 0.000 1.110 518 A HN 0.490 nan 8.150 nan 0.000 0.529 519 S N 0.663 116.361 115.700 -0.003 0.000 2.370 519 S HA -0.174 5.442 4.470 1.910 0.000 0.226 519 S C 2.286 176.891 174.600 0.009 0.000 1.033 519 S CA 1.626 59.833 58.200 0.012 0.000 1.011 519 S CB -0.235 62.975 63.200 0.016 0.000 0.852 519 S HN 0.831 nan 8.310 nan 0.000 0.457 520 A N 1.286 124.102 122.820 -0.006 0.000 1.873 520 A HA 0.024 5.490 4.320 1.910 0.000 0.215 520 A C 2.121 179.686 177.584 -0.032 0.000 1.186 520 A CA 1.220 53.250 52.037 -0.013 0.000 0.616 520 A CB -0.754 18.236 19.000 -0.017 0.000 0.823 520 A HN 0.390 nan 8.150 nan 0.000 0.442 521 L N 0.153 121.346 121.223 -0.051 0.000 2.012 521 L HA -0.132 5.354 4.340 1.910 0.000 0.210 521 L C 2.250 179.052 176.870 -0.114 0.000 1.073 521 L CA 1.722 56.508 54.840 -0.090 0.000 0.748 521 L CB -0.577 41.421 42.059 -0.101 0.000 0.891 521 L HN 0.446 nan 8.230 nan 0.000 0.431 522 I N -0.449 120.070 120.570 -0.084 0.000 2.151 522 I HA -0.355 4.962 4.170 1.910 0.000 0.243 522 I C 2.577 178.690 176.117 -0.007 0.000 1.080 522 I CA 1.874 63.121 61.300 -0.089 0.000 1.339 522 I CB -0.387 37.601 38.000 -0.019 0.000 1.039 522 I HN 0.451 nan 8.210 nan 0.000 0.409 523 E N 0.889 121.141 120.200 0.088 0.000 2.058 523 E HA -0.325 5.171 4.350 1.910 0.000 0.194 523 E C 2.115 178.750 176.600 0.058 0.000 0.997 523 E CA 1.769 58.261 56.400 0.153 0.000 0.801 523 E CB -0.086 29.656 29.700 0.071 0.000 0.746 523 E HN 0.490 nan 8.360 nan 0.000 0.450 524 E N 0.260 120.436 120.200 -0.040 0.000 2.058 524 E HA -0.216 5.280 4.350 1.910 0.000 0.194 524 E C 2.306 178.779 176.600 -0.212 0.000 0.997 524 E CA 1.272 57.610 56.400 -0.104 0.000 0.801 524 E CB -0.115 29.516 29.700 -0.115 0.000 0.746 524 E HN 0.328 nan 8.360 nan 0.000 0.450 525 L N -0.214 120.813 121.223 -0.326 0.000 2.083 525 L HA -0.183 5.303 4.340 1.910 0.000 0.209 525 L C 2.328 178.765 176.870 -0.722 0.000 1.083 525 L CA 1.097 55.529 54.840 -0.680 0.000 0.752 525 L CB -0.483 41.147 42.059 -0.716 0.000 0.899 525 L HN 0.271 nan 8.230 nan 0.000 0.433 526 Y N 0.096 120.248 120.300 -0.247 0.000 2.193 526 Y HA -0.262 5.434 4.550 1.910 0.000 0.285 526 Y C 2.561 178.405 175.900 -0.094 0.000 1.166 526 Y CA 1.167 59.230 58.100 -0.061 0.000 1.181 526 Y CB -0.574 37.884 38.460 -0.002 0.000 0.976 526 Y HN 0.194 nan 8.280 nan 0.000 0.520 527 G N -0.470 108.340 108.800 0.016 0.000 2.402 527 G HA2 -0.196 4.910 3.960 1.910 0.000 0.216 527 G HA3 -0.196 4.910 3.960 1.910 0.000 0.216 527 G C 1.494 176.344 174.900 -0.084 0.000 1.162 527 G CA 0.863 45.949 45.100 -0.024 0.000 0.777 527 G HN 0.263 nan 8.290 nan 0.000 0.539 528 E N 0.440 120.495 120.200 -0.242 0.000 2.072 528 E HA -0.058 5.438 4.350 1.910 0.000 0.191 528 E C 2.261 178.792 176.600 -0.114 0.000 0.985 528 E CA 0.621 56.871 56.400 -0.249 0.000 0.801 528 E CB -0.338 29.095 29.700 -0.445 0.000 0.750 528 E HN 0.457 nan 8.360 nan 0.000 0.452 529 F N 1.086 121.017 119.950 -0.030 0.000 2.146 529 F HA -0.010 5.663 4.527 1.910 0.000 0.298 529 F C 2.489 178.294 175.800 0.009 0.000 1.096 529 F CA 0.628 58.613 58.000 -0.026 0.000 1.275 529 F CB -1.312 37.666 39.000 -0.036 0.000 1.008 529 F HN -0.031 nan 8.300 nan 0.000 0.480 530 A N 0.081 123.019 122.820 0.198 0.000 1.933 530 A HA -0.211 5.255 4.320 1.910 0.000 0.218 530 A C 2.286 179.917 177.584 0.078 0.000 1.175 530 A CA 1.830 53.941 52.037 0.123 0.000 0.628 530 A CB -0.665 18.393 19.000 0.096 0.000 0.814 530 A HN 0.233 nan 8.150 nan 0.000 0.444 531 R N -0.270 120.266 120.500 0.061 0.000 2.081 531 R HA -0.013 5.473 4.340 1.910 0.000 0.235 531 R C 1.977 178.316 176.300 0.064 0.000 1.131 531 R CA 2.137 58.266 56.100 0.048 0.000 0.960 531 R CB -0.703 29.615 30.300 0.030 0.000 0.856 531 R HN 0.556 nan 8.270 nan 0.000 0.436 532 M N -0.033 119.619 119.600 0.087 0.000 2.080 532 M HA -0.167 5.460 4.480 1.910 0.000 0.260 532 M C 2.282 178.615 176.300 0.055 0.000 1.068 532 M CA 2.325 57.673 55.300 0.080 0.000 1.109 532 M CB -0.377 32.261 32.600 0.064 0.000 1.342 532 M HN 0.300 nan 8.290 nan 0.000 0.405 533 E N 0.258 120.491 120.200 0.055 0.000 2.051 533 E HA -0.241 5.255 4.350 1.910 0.000 0.192 533 E C 2.039 178.651 176.600 0.019 0.000 0.991 533 E CA 1.147 57.566 56.400 0.032 0.000 0.799 533 E CB -0.038 29.686 29.700 0.040 0.000 0.748 533 E HN 0.359 nan 8.360 nan 0.000 0.449 534 E N 0.244 120.460 120.200 0.026 0.000 2.106 534 E HA -0.183 5.313 4.350 1.910 0.000 0.192 534 E C 1.863 178.466 176.600 0.005 0.000 0.984 534 E CA 1.010 57.418 56.400 0.013 0.000 0.806 534 E CB -0.070 29.640 29.700 0.016 0.000 0.750 534 E HN 0.338 nan 8.360 nan 0.000 0.458 535 A N 0.507 123.338 122.820 0.018 0.000 1.902 535 A HA -0.184 5.282 4.320 1.910 0.000 0.217 535 A C 2.618 180.189 177.584 -0.021 0.000 1.181 535 A CA 1.458 53.503 52.037 0.013 0.000 0.623 535 A CB -0.909 18.122 19.000 0.052 0.000 0.818 535 A HN 0.464 nan 8.150 nan 0.000 0.443 536 C N -0.317 118.968 119.300 -0.025 0.000 2.446 536 C HA -0.062 5.544 4.460 1.910 0.000 0.277 536 C C 2.668 177.596 174.990 -0.103 0.000 1.275 536 C CA 0.928 59.887 59.018 -0.098 0.000 1.727 536 C CB -1.433 26.266 27.740 -0.069 0.000 2.010 536 C HN 0.625 nan 8.230 nan 0.000 0.486 537 N N 1.487 120.152 118.700 -0.058 0.000 2.104 537 N HA -0.141 5.745 4.740 1.910 0.000 0.190 537 N C 1.489 176.967 175.510 -0.052 0.000 1.024 537 N CA 1.452 54.472 53.050 -0.050 0.000 0.853 537 N CB -0.758 37.711 38.487 -0.029 0.000 1.008 537 N HN 0.541 nan 8.380 nan 0.000 0.424 538 N N 0.963 119.637 118.700 -0.044 0.000 2.120 538 N HA -0.022 5.864 4.740 1.910 0.000 0.188 538 N C 1.816 177.292 175.510 -0.057 0.000 1.024 538 N CA 0.683 53.709 53.050 -0.041 0.000 0.852 538 N CB -0.221 38.249 38.487 -0.028 0.000 1.003 538 N HN 0.191 nan 8.380 nan 0.000 0.424 539 L N 0.371 121.542 121.223 -0.088 0.000 2.017 539 L HA -0.138 5.348 4.340 1.910 0.000 0.208 539 L C 2.262 179.061 176.870 -0.118 0.000 1.073 539 L CA 1.160 55.928 54.840 -0.119 0.000 0.745 539 L CB -0.359 41.572 42.059 -0.214 0.000 0.894 539 L HN 0.170 nan 8.230 nan 0.000 0.432 540 K N -0.021 120.302 120.400 -0.129 0.000 2.113 540 K HA -0.213 5.253 4.320 1.910 0.000 0.208 540 K C 2.112 178.671 176.600 -0.068 0.000 1.047 540 K CA 1.631 57.856 56.287 -0.103 0.000 0.928 540 K CB -0.262 32.183 32.500 -0.093 0.000 0.716 540 K HN 0.340 nan 8.250 nan 0.000 0.446 541 A N 0.958 123.744 122.820 -0.057 0.000 1.975 541 A HA -0.030 5.436 4.320 1.910 0.000 0.215 541 A C 1.545 179.107 177.584 -0.035 0.000 1.170 541 A CA 1.034 53.046 52.037 -0.041 0.000 0.656 541 A CB 0.063 19.043 19.000 -0.034 0.000 0.821 541 A HN 0.198 nan 8.150 nan 0.000 0.449 542 N N -0.974 117.705 118.700 -0.036 0.000 2.210 542 N HA 0.217 6.103 4.740 1.910 0.000 0.203 542 N C -0.010 175.490 175.510 -0.017 0.000 1.175 542 N CA -0.122 52.913 53.050 -0.024 0.000 0.894 542 N CB 0.266 38.742 38.487 -0.019 0.000 1.041 542 N HN 0.314 nan 8.380 nan 0.000 0.506 543 L N 3.619 124.830 121.223 -0.021 0.000 2.525 543 L HA 0.080 5.566 4.340 1.910 0.000 0.278 543 L C -1.702 175.160 176.870 -0.014 0.000 1.218 543 L CA -0.937 53.903 54.840 0.001 0.000 0.878 543 L CB 0.099 42.152 42.059 -0.010 0.000 1.127 543 L HN -0.090 nan 8.230 nan 0.000 0.492 544 P HA -0.049 nan 4.420 nan 0.000 0.269 544 P C 0.298 177.578 177.300 -0.033 0.000 1.215 544 P CA -0.152 62.927 63.100 -0.035 0.000 0.780 544 P CB 0.614 32.279 31.700 -0.059 0.000 0.898 545 E N 1.305 121.484 120.200 -0.035 0.000 2.085 545 E HA -0.175 5.322 4.350 1.910 0.000 0.194 545 E C 1.628 178.208 176.600 -0.033 0.000 0.994 545 E CA 1.155 57.536 56.400 -0.032 0.000 0.801 545 E CB -0.096 29.587 29.700 -0.029 0.000 0.743 545 E HN 0.164 nan 8.360 nan 0.000 0.453 546 V N 0.608 120.495 119.914 -0.044 0.000 2.392 546 V HA -0.260 5.006 4.120 1.910 0.000 0.249 546 V C 2.170 178.237 176.094 -0.044 0.000 1.059 546 V CA 2.255 64.524 62.300 -0.052 0.000 1.051 546 V CB -0.378 31.396 31.823 -0.081 0.000 0.658 546 V HN 0.465 nan 8.190 nan 0.000 0.455 547 A N -0.555 122.245 122.820 -0.034 0.000 1.874 547 A HA -0.054 5.412 4.320 1.910 0.000 0.214 547 A C 2.073 179.656 177.584 -0.001 0.000 1.189 547 A CA 1.581 53.623 52.037 0.008 0.000 0.615 547 A CB -0.738 18.312 19.000 0.083 0.000 0.830 547 A HN 0.531 nan 8.150 nan 0.000 0.443 548 L N 0.087 121.299 121.223 -0.018 0.000 2.043 548 L HA -0.189 5.297 4.340 1.910 0.000 0.212 548 L C 2.205 179.050 176.870 -0.042 0.000 1.075 548 L CA 2.395 57.208 54.840 -0.045 0.000 0.752 548 L CB -0.623 41.407 42.059 -0.048 0.000 0.891 548 L HN 0.430 nan 8.230 nan 0.000 0.432 549 E N 0.142 120.326 120.200 -0.027 0.000 2.147 549 E HA -0.273 5.223 4.350 1.910 0.000 0.199 549 E C 2.011 178.603 176.600 -0.013 0.000 1.005 549 E CA 1.874 58.266 56.400 -0.014 0.000 0.810 549 E CB 0.004 29.703 29.700 -0.002 0.000 0.736 549 E HN 0.712 nan 8.360 nan 0.000 0.460 550 E N -1.201 118.981 120.200 -0.031 0.000 2.299 550 E HA -0.064 5.432 4.350 1.910 0.000 0.193 550 E C 1.832 178.334 176.600 -0.163 0.000 0.998 550 E CA 0.916 57.256 56.400 -0.100 0.000 0.851 550 E CB 0.143 29.787 29.700 -0.094 0.000 0.795 550 E HN 0.390 nan 8.360 nan 0.000 0.492 551 C N -0.661 118.593 119.300 -0.076 0.000 3.255 551 C HA 0.342 5.948 4.460 1.910 0.000 0.282 551 C C 2.504 177.457 174.990 -0.063 0.000 1.441 551 C CA -0.216 58.782 59.018 -0.034 0.000 1.785 551 C CB -0.690 27.075 27.740 0.042 0.000 2.583 551 C HN 0.250 nan 8.230 nan 0.000 0.615 552 S N 2.679 118.343 115.700 -0.061 0.000 2.359 552 S HA -0.223 5.394 4.470 1.910 0.000 0.224 552 S C 1.978 176.557 174.600 -0.035 0.000 1.035 552 S CA 1.428 59.589 58.200 -0.066 0.000 1.018 552 S CB -0.574 62.599 63.200 -0.044 0.000 0.876 552 S HN 0.753 nan 8.310 nan 0.000 0.448 553 R N 0.911 121.418 120.500 0.011 0.000 2.092 553 R HA 0.012 5.498 4.340 1.910 0.000 0.231 553 R C 2.691 179.022 176.300 0.052 0.000 1.119 553 R CA 1.613 57.739 56.100 0.044 0.000 0.970 553 R CB -0.365 29.997 30.300 0.104 0.000 0.864 553 R HN 0.461 nan 8.270 nan 0.000 0.440 554 Q N 0.129 119.975 119.800 0.077 0.000 2.172 554 Q HA -0.061 5.425 4.340 1.910 0.000 0.200 554 Q C 1.823 177.946 176.000 0.205 0.000 0.964 554 Q CA 0.832 56.730 55.803 0.159 0.000 0.855 554 Q CB -0.059 28.836 28.738 0.261 0.000 0.918 554 Q HN 0.114 nan 8.270 nan 0.000 0.444 555 L N 0.884 122.113 121.223 0.010 0.000 1.989 555 L HA -0.202 5.284 4.340 1.910 0.000 0.211 555 L C 1.516 178.361 176.870 -0.042 0.000 1.071 555 L CA 1.909 56.653 54.840 -0.160 0.000 0.749 555 L CB -1.040 40.821 42.059 -0.329 0.000 0.890 555 L HN 0.231 nan 8.230 nan 0.000 0.431 556 D N -0.835 119.547 120.400 -0.030 0.000 2.144 556 D HA -0.182 5.604 4.640 1.910 0.000 0.199 556 D C 2.183 178.487 176.300 0.006 0.000 0.984 556 D CA 0.794 54.785 54.000 -0.014 0.000 0.834 556 D CB 0.110 40.904 40.800 -0.010 0.000 0.955 556 D HN 0.407 nan 8.370 nan 0.000 0.465 557 E N -0.077 120.140 120.200 0.027 0.000 2.051 557 E HA -0.152 5.344 4.350 1.910 0.000 0.192 557 E C 2.088 178.702 176.600 0.023 0.000 0.991 557 E CA 0.376 56.791 56.400 0.026 0.000 0.799 557 E CB -0.055 29.662 29.700 0.028 0.000 0.748 557 E HN 0.099 nan 8.360 nan 0.000 0.449 558 L N 1.124 122.382 121.223 0.058 0.000 2.083 558 L HA -0.151 5.335 4.340 1.910 0.000 0.209 558 L C 2.120 178.983 176.870 -0.011 0.000 1.083 558 L CA 1.271 56.128 54.840 0.029 0.000 0.752 558 L CB -0.311 41.821 42.059 0.122 0.000 0.899 558 L HN 0.155 nan 8.230 nan 0.000 0.433 559 I N -1.399 119.171 120.570 -0.001 0.000 2.179 559 I HA -0.324 4.992 4.170 1.910 0.000 0.242 559 I C 2.180 178.285 176.117 -0.019 0.000 1.088 559 I CA 1.696 62.989 61.300 -0.012 0.000 1.357 559 I CB -0.565 37.427 38.000 -0.014 0.000 1.051 559 I HN 0.241 nan 8.210 nan 0.000 0.409 560 T N 1.245 115.789 114.554 -0.017 0.000 2.746 560 T HA -0.135 5.361 4.350 1.910 0.000 0.267 560 T C 1.944 176.623 174.700 -0.036 0.000 1.039 560 T CA 1.247 63.336 62.100 -0.020 0.000 1.142 560 T CB -0.308 68.553 68.868 -0.011 0.000 0.866 560 T HN 0.231 nan 8.240 nan 0.000 0.444 561 L N 0.707 121.904 121.223 -0.043 0.000 2.046 561 L HA -0.098 5.389 4.340 1.910 0.000 0.208 561 L C 3.087 179.878 176.870 -0.132 0.000 1.077 561 L CA 1.245 56.046 54.840 -0.066 0.000 0.747 561 L CB -0.736 41.291 42.059 -0.054 0.000 0.896 561 L HN 0.250 nan 8.230 nan 0.000 0.432 562 A N -0.375 122.370 122.820 -0.125 0.000 1.908 562 A HA -0.276 5.190 4.320 1.910 0.000 0.218 562 A C 2.204 179.705 177.584 -0.139 0.000 1.181 562 A CA 1.765 53.714 52.037 -0.146 0.000 0.627 562 A CB -0.505 18.477 19.000 -0.029 0.000 0.818 562 A HN 0.487 nan 8.150 nan 0.000 0.445 563 Q N -1.021 118.738 119.800 -0.067 0.000 2.167 563 Q HA -0.064 5.422 4.340 1.910 0.000 0.202 563 Q C 2.163 178.130 176.000 -0.055 0.000 0.970 563 Q CA 1.089 56.872 55.803 -0.034 0.000 0.855 563 Q CB -0.354 28.376 28.738 -0.013 0.000 0.911 563 Q HN 0.693 nan 8.270 nan 0.000 0.438 564 G N 0.671 109.423 108.800 -0.080 0.000 2.421 564 G HA2 -0.217 4.889 3.960 1.910 0.000 0.217 564 G HA3 -0.217 4.889 3.960 1.910 0.000 0.217 564 G C 0.854 175.695 174.900 -0.098 0.000 1.143 564 G CA 0.715 45.775 45.100 -0.067 0.000 0.784 564 G HN 0.206 nan 8.290 nan 0.000 0.541 565 D N 0.529 120.777 120.400 -0.255 0.000 2.097 565 D HA -0.089 5.698 4.640 1.910 0.000 0.195 565 D C 2.318 178.380 176.300 -0.397 0.000 0.989 565 D CA 0.774 54.460 54.000 -0.523 0.000 0.827 565 D CB -0.110 39.714 40.800 -1.626 0.000 0.966 565 D HN 0.168 nan 8.370 nan 0.000 0.456 566 K N 1.264 121.513 120.400 -0.251 0.000 2.057 566 K HA -0.081 5.386 4.320 1.910 0.000 0.207 566 K C 1.860 178.536 176.600 0.126 0.000 1.049 566 K CA 1.268 57.612 56.287 0.095 0.000 0.931 566 K CB -0.238 32.380 32.500 0.197 0.000 0.714 566 K HN 0.040 nan 8.250 nan 0.000 0.440 567 A N 0.508 123.362 122.820 0.056 0.000 1.969 567 A HA -0.077 5.390 4.320 1.910 0.000 0.218 567 A C 2.272 179.889 177.584 0.055 0.000 1.169 567 A CA 1.827 53.899 52.037 0.058 0.000 0.635 567 A CB -0.409 18.598 19.000 0.013 0.000 0.810 567 A HN 0.391 nan 8.150 nan 0.000 0.445 568 S N -0.009 115.723 115.700 0.053 0.000 2.368 568 S HA -0.065 5.551 4.470 1.910 0.000 0.224 568 S C 1.806 176.473 174.600 0.112 0.000 1.029 568 S CA 1.295 59.534 58.200 0.065 0.000 0.988 568 S CB -0.423 62.807 63.200 0.049 0.000 0.838 568 S HN 0.537 nan 8.310 nan 0.000 0.462 569 L N 1.423 122.724 121.223 0.129 0.000 2.042 569 L HA -0.172 5.314 4.340 1.910 0.000 0.210 569 L C 2.088 179.029 176.870 0.118 0.000 1.076 569 L CA 1.188 56.044 54.840 0.026 0.000 0.749 569 L CB -0.762 41.062 42.059 -0.392 0.000 0.893 569 L HN 0.207 nan 8.230 nan 0.000 0.432 570 D N -0.329 120.187 120.400 0.193 0.000 2.144 570 D HA -0.188 5.599 4.640 1.910 0.000 0.199 570 D C 2.311 178.706 176.300 0.158 0.000 0.984 570 D CA 1.203 55.331 54.000 0.213 0.000 0.834 570 D CB -0.069 40.837 40.800 0.177 0.000 0.955 570 D HN 0.279 nan 8.370 nan 0.000 0.465 571 M N -0.119 119.559 119.600 0.130 0.000 2.067 571 M HA -0.131 5.495 4.480 1.910 0.000 0.260 571 M C 2.265 178.712 176.300 0.245 0.000 1.069 571 M CA 1.187 56.600 55.300 0.189 0.000 1.117 571 M CB -0.224 32.455 32.600 0.131 0.000 1.334 571 M HN -0.001 nan 8.290 nan 0.000 0.407 572 I N -0.510 120.152 120.570 0.153 0.000 2.127 572 I HA -0.299 5.017 4.170 1.910 0.000 0.241 572 I C 2.309 178.473 176.117 0.077 0.000 1.075 572 I CA 1.264 62.614 61.300 0.083 0.000 1.334 572 I CB -0.549 37.465 38.000 0.023 0.000 1.040 572 I HN 0.084 nan 8.210 nan 0.000 0.405 573 V N 1.079 121.057 119.914 0.107 0.000 2.332 573 V HA -0.328 4.938 4.120 1.910 0.000 0.248 573 V C 2.689 178.843 176.094 0.099 0.000 1.055 573 V CA 2.073 64.439 62.300 0.109 0.000 1.038 573 V CB -1.064 30.855 31.823 0.161 0.000 0.651 573 V HN 0.532 nan 8.190 nan 0.000 0.450 574 A N -1.044 121.855 122.820 0.132 0.000 1.969 574 A HA -0.253 5.213 4.320 1.910 0.000 0.218 574 A C 2.178 179.816 177.584 0.090 0.000 1.169 574 A CA 1.719 53.835 52.037 0.132 0.000 0.635 574 A CB -0.391 18.730 19.000 0.201 0.000 0.810 574 A HN 0.632 nan 8.150 nan 0.000 0.445 575 Q N -0.582 119.259 119.800 0.068 0.000 2.123 575 Q HA 0.027 5.513 4.340 1.910 0.000 0.199 575 Q C 1.950 177.943 176.000 -0.011 0.000 0.966 575 Q CA 1.047 56.832 55.803 -0.031 0.000 0.845 575 Q CB -0.226 28.468 28.738 -0.074 0.000 0.907 575 Q HN 0.666 nan 8.270 nan 0.000 0.439 576 L N 0.677 121.907 121.223 0.012 0.000 2.141 576 L HA -0.132 5.354 4.340 1.910 0.000 0.209 576 L C 1.365 178.246 176.870 0.018 0.000 1.094 576 L CA 0.567 55.415 54.840 0.013 0.000 0.763 576 L CB -0.175 41.895 42.059 0.018 0.000 0.908 576 L HN 0.210 nan 8.230 nan 0.000 0.437 577 N N 0.188 118.905 118.700 0.028 0.000 2.398 577 N HA -0.034 5.852 4.740 1.910 0.000 0.188 577 N C -0.071 175.452 175.510 0.021 0.000 1.122 577 N CA 0.156 53.223 53.050 0.028 0.000 0.866 577 N CB 0.155 38.665 38.487 0.038 0.000 0.970 577 N HN 0.207 nan 8.380 nan 0.000 0.462 578 E N 0.549 120.756 120.200 0.011 0.000 2.328 578 E HA -0.207 5.289 4.350 1.910 0.000 0.233 578 E C -0.857 175.753 176.600 0.016 0.000 1.219 578 E CA 0.389 56.790 56.400 0.001 0.000 0.717 578 E CB -0.987 28.713 29.700 -0.000 0.000 1.210 578 E HN 0.247 nan 8.360 nan 0.000 0.381 579 D N -0.168 120.253 120.400 0.035 0.000 2.473 579 D HA 0.146 5.932 4.640 1.910 0.000 0.226 579 D C 0.763 177.115 176.300 0.085 0.000 1.089 579 D CA -0.123 53.910 54.000 0.054 0.000 0.883 579 D CB 1.055 41.891 40.800 0.060 0.000 1.029 579 D HN -0.051 nan 8.370 nan 0.000 0.517 580 T N 2.871 117.468 114.554 0.072 0.000 2.788 580 T HA -0.147 5.349 4.350 1.910 0.000 0.268 580 T C 1.211 175.998 174.700 0.145 0.000 1.044 580 T CA 1.359 63.523 62.100 0.107 0.000 1.139 580 T CB 0.332 69.239 68.868 0.065 0.000 0.867 580 T HN 0.399 nan 8.240 nan 0.000 0.454 581 E N 1.441 121.698 120.200 0.095 0.000 2.072 581 E HA 0.165 5.661 4.350 1.910 0.000 0.190 581 E C 2.339 178.985 176.600 0.076 0.000 0.982 581 E CA 0.950 57.395 56.400 0.075 0.000 0.803 581 E CB -0.607 29.121 29.700 0.048 0.000 0.755 581 E HN 0.441 nan 8.360 nan 0.000 0.453 582 A N 0.485 123.357 122.820 0.086 0.000 1.933 582 A HA -0.225 5.241 4.320 1.910 0.000 0.218 582 A C 2.139 179.787 177.584 0.107 0.000 1.175 582 A CA 1.542 53.629 52.037 0.083 0.000 0.628 582 A CB -0.893 18.157 19.000 0.083 0.000 0.814 582 A HN 0.383 nan 8.150 nan 0.000 0.444 583 Y N 0.871 121.188 120.300 0.029 0.000 2.097 583 Y HA -0.210 5.486 4.550 1.910 0.000 0.282 583 Y C 2.337 178.252 175.900 0.025 0.000 1.152 583 Y CA 2.251 60.368 58.100 0.030 0.000 1.136 583 Y CB -0.146 38.331 38.460 0.027 0.000 0.975 583 Y HN 0.343 nan 8.280 nan 0.000 0.498 584 E N -0.326 119.854 120.200 -0.034 0.000 2.106 584 E HA -0.141 5.355 4.350 1.910 0.000 0.192 584 E C 2.350 178.871 176.600 -0.131 0.000 0.984 584 E CA 1.327 57.648 56.400 -0.133 0.000 0.806 584 E CB -0.320 29.388 29.700 0.014 0.000 0.750 584 E HN 0.470 nan 8.360 nan 0.000 0.458 585 S N 0.977 116.639 115.700 -0.064 0.000 2.383 585 S HA -0.066 5.550 4.470 1.910 0.000 0.227 585 S C 2.093 176.655 174.600 -0.063 0.000 1.026 585 S CA 0.934 59.106 58.200 -0.047 0.000 0.981 585 S CB -0.050 63.144 63.200 -0.010 0.000 0.818 585 S HN 0.373 nan 8.310 nan 0.000 0.472 586 A N 1.840 124.614 122.820 -0.078 0.000 1.897 586 A HA -0.051 5.415 4.320 1.910 0.000 0.215 586 A C 2.016 179.522 177.584 -0.129 0.000 1.181 586 A CA 1.560 53.558 52.037 -0.066 0.000 0.620 586 A CB -0.477 18.511 19.000 -0.019 0.000 0.821 586 A HN 0.447 nan 8.150 nan 0.000 0.443 587 K N 0.122 120.361 120.400 -0.268 0.000 2.063 587 K HA -0.238 5.228 4.320 1.910 0.000 0.208 587 K C 2.080 178.582 176.600 -0.162 0.000 1.048 587 K CA 1.819 57.929 56.287 -0.296 0.000 0.928 587 K CB -0.203 31.972 32.500 -0.542 0.000 0.713 587 K HN 0.662 nan 8.250 nan 0.000 0.442 588 E N 0.686 120.807 120.200 -0.132 0.000 2.077 588 E HA -0.203 5.294 4.350 1.910 0.000 0.193 588 E C 1.969 178.536 176.600 -0.056 0.000 0.989 588 E CA 1.330 57.683 56.400 -0.078 0.000 0.800 588 E CB -0.151 29.512 29.700 -0.060 0.000 0.746 588 E HN 0.417 nan 8.360 nan 0.000 0.452 589 I N 1.269 121.808 120.570 -0.052 0.000 2.252 589 I HA -0.232 5.085 4.170 1.910 0.000 0.245 589 I C 2.712 178.808 176.117 -0.035 0.000 1.102 589 I CA 1.014 62.294 61.300 -0.033 0.000 1.385 589 I CB -0.417 37.571 38.000 -0.021 0.000 1.064 589 I HN 0.219 nan 8.210 nan 0.000 0.414 590 A N 0.253 123.045 122.820 -0.047 0.000 1.877 590 A HA -0.300 5.166 4.320 1.910 0.000 0.216 590 A C 2.254 179.814 177.584 -0.040 0.000 1.186 590 A CA 2.070 54.082 52.037 -0.042 0.000 0.620 590 A CB -0.683 18.287 19.000 -0.051 0.000 0.822 590 A HN 0.414 nan 8.150 nan 0.000 0.443 591 Q N 0.247 120.018 119.800 -0.047 0.000 2.084 591 Q HA -0.146 5.340 4.340 1.910 0.000 0.202 591 Q C 1.753 177.737 176.000 -0.027 0.000 0.978 591 Q CA 2.027 57.807 55.803 -0.037 0.000 0.844 591 Q CB -0.281 28.431 28.738 -0.043 0.000 0.898 591 Q HN 0.667 nan 8.270 nan 0.000 0.426 592 N N -0.177 118.507 118.700 -0.026 0.000 2.188 592 N HA -0.118 5.768 4.740 1.910 0.000 0.184 592 N C 1.343 176.843 175.510 -0.016 0.000 1.018 592 N CA 1.012 54.050 53.050 -0.019 0.000 0.858 592 N CB -0.090 38.387 38.487 -0.018 0.000 0.989 592 N HN 0.157 nan 8.380 nan 0.000 0.426 593 K N 1.146 121.534 120.400 -0.019 0.000 2.002 593 K HA -0.067 5.399 4.320 1.910 0.000 0.209 593 K C 2.048 178.639 176.600 -0.015 0.000 1.048 593 K CA 0.425 56.701 56.287 -0.018 0.000 0.930 593 K CB -0.980 31.506 32.500 -0.024 0.000 0.714 593 K HN 0.129 nan 8.250 nan 0.000 0.438 594 L N 2.385 123.598 121.223 -0.016 0.000 2.013 594 L HA -0.214 5.272 4.340 1.910 0.000 0.212 594 L C 1.633 178.499 176.870 -0.007 0.000 1.073 594 L CA 1.857 56.691 54.840 -0.010 0.000 0.753 594 L CB -0.852 41.200 42.059 -0.011 0.000 0.890 594 L HN 0.149 nan 8.230 nan 0.000 0.432 595 N N -0.919 117.776 118.700 -0.009 0.000 2.104 595 N HA -0.164 5.722 4.740 1.910 0.000 0.190 595 N C 1.748 177.256 175.510 -0.002 0.000 1.024 595 N CA 1.892 54.938 53.050 -0.005 0.000 0.853 595 N CB -0.762 37.721 38.487 -0.007 0.000 1.008 595 N HN 0.438 nan 8.380 nan 0.000 0.424 596 T N 0.971 115.523 114.554 -0.004 0.000 2.684 596 T HA -0.097 5.399 4.350 1.910 0.000 0.267 596 T C 1.958 176.658 174.700 0.001 0.000 1.036 596 T CA 1.504 63.604 62.100 -0.001 0.000 1.148 596 T CB -0.430 68.437 68.868 -0.003 0.000 0.863 596 T HN 0.361 nan 8.240 nan 0.000 0.436 597 A N 1.285 124.103 122.820 -0.002 0.000 1.883 597 A HA -0.036 5.431 4.320 1.910 0.000 0.217 597 A C 2.327 179.908 177.584 -0.006 0.000 1.186 597 A CA 1.383 53.418 52.037 -0.003 0.000 0.624 597 A CB -0.927 18.071 19.000 -0.003 0.000 0.822 597 A HN 0.484 nan 8.150 nan 0.000 0.444 598 L N -0.470 120.752 121.223 -0.002 0.000 2.083 598 L HA -0.131 5.355 4.340 1.910 0.000 0.209 598 L C 2.559 179.428 176.870 -0.002 0.000 1.083 598 L CA 1.487 56.327 54.840 -0.001 0.000 0.752 598 L CB -0.361 41.701 42.059 0.004 0.000 0.899 598 L HN 0.300 nan 8.230 nan 0.000 0.433 599 S N -1.100 114.602 115.700 0.004 0.000 2.522 599 S HA 0.019 5.635 4.470 1.910 0.000 0.227 599 S C 0.980 175.594 174.600 0.022 0.000 0.986 599 S CA 0.007 58.214 58.200 0.012 0.000 0.929 599 S CB 0.035 63.242 63.200 0.013 0.000 0.769 599 S HN 0.250 nan 8.310 nan 0.000 0.529 600 S N 0.955 116.665 115.700 0.017 0.000 2.617 600 S HA 0.348 5.964 4.470 1.910 0.000 0.269 600 S C 0.632 175.259 174.600 0.046 0.000 1.292 600 S CA -0.668 57.556 58.200 0.041 0.000 1.010 600 S CB 0.576 63.793 63.200 0.029 0.000 0.944 600 S HN 0.412 nan 8.310 nan 0.000 0.536 601 F N 2.504 122.427 119.950 -0.044 0.000 2.102 601 F HA 0.071 5.742 4.527 1.907 0.000 0.298 601 F C 1.326 177.071 175.800 -0.092 0.000 1.105 601 F CA 1.096 59.055 58.000 -0.068 0.000 1.239 601 F CB -0.506 38.463 39.000 -0.052 0.000 0.991 601 F HN 0.620 nan 8.300 nan 0.000 0.474 602 A N 1.110 123.848 122.820 -0.137 0.000 2.561 602 A HA 0.388 5.855 4.320 1.910 0.000 0.234 602 A C -0.518 176.914 177.584 -0.252 0.000 1.055 602 A CA 0.037 51.945 52.037 -0.215 0.000 0.756 602 A CB -0.082 18.913 19.000 -0.007 0.000 0.986 602 A HN 0.166 nan 8.150 nan 0.000 0.505 603 V N 3.692 123.443 119.914 -0.272 0.000 2.638 603 V HA 0.698 5.965 4.120 1.910 0.000 0.306 603 V C -0.171 175.886 176.094 -0.062 0.000 1.052 603 V CA -0.338 61.859 62.300 -0.172 0.000 0.885 603 V CB 1.506 33.172 31.823 -0.261 0.000 0.999 603 V HN 0.884 nan 8.190 nan 0.000 0.424 604 I N 2.717 123.285 120.570 -0.004 0.000 2.842 604 I HA 0.448 5.764 4.170 1.910 0.000 0.297 604 I C 0.338 176.486 176.117 0.051 0.000 1.380 604 I CA -0.105 61.206 61.300 0.017 0.000 1.018 604 I CB 2.289 40.295 38.000 0.010 0.000 1.311 604 I HN 0.759 nan 8.210 nan 0.000 0.439 605 S N 2.919 118.663 115.700 0.074 0.000 3.614 605 S HA -0.175 5.442 4.470 1.910 0.000 0.360 605 S C 0.934 175.596 174.600 0.103 0.000 1.023 605 S CA 1.524 59.803 58.200 0.131 0.000 1.114 605 S CB -0.837 62.511 63.200 0.246 0.000 0.907 605 S HN 0.835 nan 8.310 nan 0.000 0.470 606 E N 1.071 121.316 120.200 0.075 0.000 2.085 606 E HA -0.099 5.397 4.350 1.910 0.000 0.194 606 E C 1.962 178.605 176.600 0.072 0.000 0.994 606 E CA 1.448 57.890 56.400 0.070 0.000 0.801 606 E CB -0.013 29.725 29.700 0.064 0.000 0.743 606 E HN 0.462 nan 8.360 nan 0.000 0.453 607 K N 0.062 120.499 120.400 0.063 0.000 2.444 607 K HA 0.100 5.566 4.320 1.910 0.000 0.193 607 K C 1.139 177.807 176.600 0.112 0.000 1.024 607 K CA 0.294 56.623 56.287 0.070 0.000 1.077 607 K CB 0.749 33.271 32.500 0.036 0.000 0.833 607 K HN 0.070 nan 8.250 nan 0.000 0.517 608 V N -0.453 119.540 119.914 0.133 0.000 4.233 608 V HA 0.145 5.411 4.120 1.910 0.000 0.183 608 V C 1.962 178.195 176.094 0.233 0.000 1.097 608 V CA 0.753 63.159 62.300 0.177 0.000 1.385 608 V CB -0.783 31.119 31.823 0.131 0.000 1.805 608 V HN 0.064 nan 8.190 nan 0.000 0.496 609 A N -0.386 122.571 122.820 0.228 0.000 1.908 609 A HA -0.298 5.169 4.320 1.910 0.000 0.218 609 A C 2.149 179.809 177.584 0.126 0.000 1.181 609 A CA 2.654 54.776 52.037 0.140 0.000 0.627 609 A CB -0.633 18.381 19.000 0.023 0.000 0.818 609 A HN 0.678 nan 8.150 nan 0.000 0.445 610 Q N -0.927 118.942 119.800 0.115 0.000 2.020 610 Q HA -0.116 5.370 4.340 1.910 0.000 0.198 610 Q C 2.336 178.403 176.000 0.111 0.000 0.974 610 Q CA 1.646 57.501 55.803 0.087 0.000 0.829 610 Q CB -0.270 28.507 28.738 0.065 0.000 0.894 610 Q HN 0.560 nan 8.270 nan 0.000 0.433 611 S N -0.336 115.445 115.700 0.136 0.000 2.400 611 S HA -0.175 5.441 4.470 1.910 0.000 0.232 611 S C 1.588 176.303 174.600 0.192 0.000 1.025 611 S CA 1.113 59.394 58.200 0.135 0.000 0.993 611 S CB -0.516 62.766 63.200 0.137 0.000 0.808 611 S HN 0.537 nan 8.310 nan 0.000 0.478 612 F N 2.095 122.126 119.950 0.136 0.000 2.120 612 F HA -0.101 5.573 4.527 1.910 0.000 0.300 612 F C 1.741 177.655 175.800 0.191 0.000 1.095 612 F CA 1.613 59.745 58.000 0.220 0.000 1.249 612 F CB -0.399 38.705 39.000 0.172 0.000 0.995 612 F HN 0.245 nan 8.300 nan 0.000 0.480 613 I N -0.078 120.541 120.570 0.081 0.000 2.179 613 I HA -0.328 4.988 4.170 1.910 0.000 0.242 613 I C 2.332 178.409 176.117 -0.068 0.000 1.088 613 I CA 1.501 62.785 61.300 -0.028 0.000 1.357 613 I CB -0.766 37.239 38.000 0.008 0.000 1.051 613 I HN 0.204 nan 8.210 nan 0.000 0.409 614 Q N 0.656 120.436 119.800 -0.034 0.000 2.124 614 Q HA -0.233 5.253 4.340 1.910 0.000 0.202 614 Q C 2.094 178.024 176.000 -0.116 0.000 0.977 614 Q CA 1.520 57.290 55.803 -0.055 0.000 0.850 614 Q CB -0.151 28.570 28.738 -0.027 0.000 0.901 614 Q HN 0.547 nan 8.270 nan 0.000 0.429 615 E N 0.722 120.831 120.200 -0.151 0.000 2.051 615 E HA -0.180 5.316 4.350 1.910 0.000 0.192 615 E C 2.014 178.329 176.600 -0.475 0.000 0.991 615 E CA 1.056 57.252 56.400 -0.341 0.000 0.799 615 E CB -0.158 29.363 29.700 -0.297 0.000 0.748 615 E HN 0.374 nan 8.360 nan 0.000 0.449 616 A N 1.005 123.635 122.820 -0.317 0.000 1.902 616 A HA -0.156 5.310 4.320 1.910 0.000 0.217 616 A C 2.170 179.724 177.584 -0.049 0.000 1.181 616 A CA 1.089 53.047 52.037 -0.132 0.000 0.623 616 A CB -0.648 18.298 19.000 -0.090 0.000 0.818 616 A HN 0.151 nan 8.150 nan 0.000 0.443 617 L N -0.323 120.861 121.223 -0.065 0.000 2.275 617 L HA -0.107 5.379 4.340 1.910 0.000 0.215 617 L C 2.198 179.064 176.870 -0.007 0.000 1.119 617 L CA 1.248 56.078 54.840 -0.017 0.000 0.790 617 L CB -0.134 41.903 42.059 -0.036 0.000 0.919 617 L HN 0.295 nan 8.230 nan 0.000 0.443 618 S N -1.408 114.251 115.700 -0.069 0.000 2.535 618 S HA 0.102 5.718 4.470 1.910 0.000 0.214 618 S C 0.409 174.956 174.600 -0.087 0.000 0.980 618 S CA -0.292 57.854 58.200 -0.089 0.000 0.907 618 S CB 0.024 63.134 63.200 -0.150 0.000 0.790 618 S HN 0.195 nan 8.310 nan 0.000 0.510 619 F N 2.966 122.783 119.950 -0.221 0.000 2.411 619 F HA 0.302 5.975 4.527 1.910 0.000 0.355 619 F C -0.238 175.516 175.800 -0.076 0.000 1.117 619 F CA -0.877 56.997 58.000 -0.210 0.000 1.139 619 F CB 0.615 39.409 39.000 -0.344 0.000 1.120 619 F HN -0.086 nan 8.300 nan 0.000 0.493 620 D N 7.292 127.878 120.400 0.310 0.000 2.473 620 D HA 0.071 5.857 4.640 1.910 0.000 0.226 620 D C 0.809 177.324 176.300 0.358 0.000 1.089 620 D CA -0.169 53.968 54.000 0.228 0.000 0.883 620 D CB 1.002 41.830 40.800 0.046 0.000 1.029 620 D HN 0.573 nan 8.370 nan 0.000 0.517 621 L N 3.576 124.997 121.223 0.330 0.000 2.201 621 L HA -0.113 5.373 4.340 1.910 0.000 0.212 621 L C 1.835 178.779 176.870 0.123 0.000 1.105 621 L CA 1.726 56.711 54.840 0.242 0.000 0.775 621 L CB -0.794 41.268 42.059 0.006 0.000 0.913 621 L HN 0.485 nan 8.230 nan 0.000 0.440 622 T N -1.919 112.657 114.554 0.037 0.000 3.118 622 T HA -0.125 5.371 4.350 1.910 0.000 0.269 622 T C 1.245 175.956 174.700 0.018 0.000 1.166 622 T CA 1.179 63.277 62.100 -0.002 0.000 1.073 622 T CB -0.525 68.310 68.868 -0.055 0.000 0.884 622 T HN 0.466 nan 8.240 nan 0.000 0.550 623 L N -2.639 118.612 121.223 0.047 0.000 3.135 623 L HA 0.591 6.077 4.340 1.910 0.000 0.279 623 L C 0.173 177.069 176.870 0.044 0.000 1.200 623 L CA -0.902 53.956 54.840 0.030 0.000 1.016 623 L CB -0.118 41.945 42.059 0.006 0.000 1.391 623 L HN -0.049 nan 8.230 nan 0.000 0.588 624 I N 0.000 120.622 120.570 0.086 0.000 2.984 624 I HA 0.000 5.316 4.170 1.910 0.000 0.288 624 I CA 0.000 61.356 61.300 0.093 0.000 1.566 624 I CB 0.000 38.101 38.000 0.168 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494