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 3ibv_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSAQDVENAV EAALDPSVGP IIKQQATDFI GSLRSSSTGW KICHEIFSEK DATA SEQUENCE TKYKPSTRLI CLQTLSEKVR EWNNESNLLE LQMIRDSVWS YIKELSFLDE DATA SEQUENCE PAYISNAVQH LLTLLFLQLY PSNWNDFFAS LQGVIAASSQ SEFSNFYLKV DATA SEQUENCE LLSIGDEIAD SLVLKTDVQI QKDNLVKDAI RANDMSDIVS FVYEMMLAYS DATA SEQUENCE NAKNYGTVGL CLQVYAQWVS WININLIVNE PCMNLLYSFL QIEELRCAAC DATA SEQUENCE ETMTEIVNKK MKPLEKLNLL NILNLNLFFS KSQXXXTDPN FDEHVAKLIN DATA SEQUENCE AQGVELVAIK SDPSELSPEL KENCSFQLYN LFPYLIRYLS DDYDETSTAV DATA SEQUENCE FPFLSDLLVS LRKESSSKEL SASLKEFLKS LLEAIIKKMK YDESQEWDDD DATA SEQUENCE PDSEEEAEFQ EMRKKLKIFQ DTINSIDSSL FSSYMYSAIT SSLSTAATLS DATA SEQUENCE PENSWQLIEF ALYETYIFGE GLRGPDAFFN XXDKSPTVLS QILALVTTSQ DATA SEQUENCE VCRHPHPLVQ LLYMEILVRY ASFFDYESAA IPALIEYFVG PRGIHNTNER DATA SEQUENCE VRPRAWYLFY RFVKSIKKQV VNYTESSLAM LGDLLNISVS PVTDMDAPVP DATA SEQUENCE TLNSSIRNSD FNSQLYLFET VGVLISSGNL TPEEQALYCD SLINALIGKA DATA SEQUENCE NAALSSDLSX XENIISVYCS LMAIGNFAKG FPARGSEEVA WLASFNKASD DATA SEQUENCE EIFLILDRMG FNEDIRGAVR FTSGRIINVV GPDMLPKVPQ LISILLNSID DATA SEQUENCE MNELVDVLSF ISQLIHIYKD NMMEITNRML PTLLMRIFSS LSAXXXXXDD DATA SEQUENCE AVKQNDLRKS YISFILQLLN KGXXSIXFTE ENQVYFDPLI NSILHFXXXX DATA SEQUENCE XXXATQKSSI ALVSKMVSLX XXXXXXXGFE NFTLSLTPLC FEMXXXXXXX DATA SEQUENCE XXXXXXLVVL GELAGLQKII LEXXXXXXKS YLVTVYFPTX XXXDVMASEY DATA SEQUENCE LQALS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.333 176.300 0.055 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.616 32.600 0.026 0.000 1.302 2 S N 0.903 116.642 115.700 0.064 0.000 2.389 2 S HA -0.086 4.373 4.470 -0.018 0.000 0.231 2 S C 2.085 176.771 174.600 0.143 0.000 1.052 2 S CA 2.257 60.514 58.200 0.094 0.000 1.053 2 S CB -0.713 62.527 63.200 0.067 0.000 0.886 2 S HN 2.416 nan 8.310 nan 0.000 0.456 3 A N 1.682 124.598 122.820 0.159 0.000 1.841 3 A HA -0.095 4.214 4.320 -0.018 0.000 0.214 3 A C 2.351 180.064 177.584 0.214 0.000 1.195 3 A CA 1.485 53.677 52.037 0.258 0.000 0.611 3 A CB -0.916 18.351 19.000 0.444 0.000 0.835 3 A HN 0.424 nan 8.150 nan 0.000 0.443 4 Q N -0.015 119.854 119.800 0.115 0.000 2.325 4 Q HA -0.210 4.119 4.340 -0.018 0.000 0.211 4 Q C 1.364 177.384 176.000 0.034 0.000 0.988 4 Q CA 1.669 57.495 55.803 0.038 0.000 0.887 4 Q CB -0.414 28.320 28.738 -0.007 0.000 0.915 4 Q HN 0.640 nan 8.270 nan 0.000 0.440 5 D N -0.851 119.579 120.400 0.050 0.000 2.103 5 D HA -0.094 4.535 4.640 -0.018 0.000 0.199 5 D C 1.994 178.325 176.300 0.050 0.000 0.978 5 D CA 0.778 54.752 54.000 -0.044 0.000 0.829 5 D CB 0.102 40.867 40.800 -0.060 0.000 0.981 5 D HN 0.072 nan 8.370 nan 0.000 0.464 6 V N 1.620 121.717 119.914 0.306 0.000 2.343 6 V HA -0.238 3.871 4.120 -0.018 0.000 0.247 6 V C 2.802 179.044 176.094 0.247 0.000 1.051 6 V CA 2.520 65.082 62.300 0.436 0.000 1.036 6 V CB -1.018 31.001 31.823 0.326 0.000 0.654 6 V HN 0.324 nan 8.190 nan 0.000 0.451 7 E N 0.607 120.914 120.200 0.178 0.000 2.110 7 E HA -0.286 4.053 4.350 -0.018 0.000 0.193 7 E C 1.857 178.501 176.600 0.074 0.000 0.988 7 E CA 1.704 58.178 56.400 0.123 0.000 0.804 7 E CB -0.770 28.973 29.700 0.071 0.000 0.745 7 E HN 0.734 nan 8.360 nan 0.000 0.458 8 N N 0.145 118.866 118.700 0.035 0.000 2.270 8 N HA 0.022 4.751 4.740 -0.018 0.000 0.181 8 N C 2.132 177.645 175.510 0.005 0.000 1.016 8 N CA 1.404 54.450 53.050 -0.005 0.000 0.870 8 N CB -0.214 38.239 38.487 -0.057 0.000 0.979 8 N HN 0.518 nan 8.380 nan 0.000 0.431 9 A N 1.077 123.918 122.820 0.036 0.000 1.841 9 A HA -0.046 4.263 4.320 -0.018 0.000 0.214 9 A C 2.532 180.187 177.584 0.118 0.000 1.195 9 A CA 1.223 53.319 52.037 0.098 0.000 0.611 9 A CB -0.928 18.270 19.000 0.330 0.000 0.835 9 A HN 0.050 nan 8.150 nan 0.000 0.443 10 V N -0.060 119.940 119.914 0.143 0.000 2.252 10 V HA -0.273 3.836 4.120 -0.018 0.000 0.249 10 V C 2.707 178.846 176.094 0.075 0.000 1.056 10 V CA 2.494 64.858 62.300 0.108 0.000 1.022 10 V CB -1.029 30.864 31.823 0.118 0.000 0.641 10 V HN 0.718 nan 8.190 nan 0.000 0.445 11 E N -0.610 119.630 120.200 0.067 0.000 2.160 11 E HA -0.231 4.108 4.350 -0.018 0.000 0.195 11 E C 2.264 178.885 176.600 0.035 0.000 0.991 11 E CA 1.301 57.730 56.400 0.047 0.000 0.810 11 E CB -0.460 29.262 29.700 0.037 0.000 0.742 11 E HN 0.747 nan 8.360 nan 0.000 0.466 12 A N 0.337 123.177 122.820 0.033 0.000 1.897 12 A HA 0.209 4.518 4.320 -0.018 0.000 0.215 12 A C 2.560 180.161 177.584 0.029 0.000 1.181 12 A CA 1.757 53.808 52.037 0.024 0.000 0.620 12 A CB -0.890 18.120 19.000 0.018 0.000 0.821 12 A HN 0.607 nan 8.150 nan 0.000 0.443 13 A N -0.459 122.385 122.820 0.040 0.000 2.015 13 A HA 0.072 4.381 4.320 -0.018 0.000 0.219 13 A C 2.007 179.608 177.584 0.027 0.000 1.163 13 A CA 1.364 53.422 52.037 0.036 0.000 0.646 13 A CB -0.420 18.607 19.000 0.045 0.000 0.806 13 A HN 0.475 nan 8.150 nan 0.000 0.448 14 L N -1.060 120.181 121.223 0.029 0.000 2.354 14 L HA 0.092 4.421 4.340 -0.018 0.000 0.212 14 L C 0.276 177.160 176.870 0.023 0.000 1.091 14 L CA -0.087 54.768 54.840 0.025 0.000 0.828 14 L CB -0.317 41.761 42.059 0.030 0.000 0.973 14 L HN 0.182 nan 8.230 nan 0.000 0.461 15 D N 2.578 122.992 120.400 0.023 0.000 2.358 15 D HA 0.053 4.682 4.640 -0.018 0.000 0.258 15 D C -1.568 174.741 176.300 0.016 0.000 1.223 15 D CA -1.385 52.626 54.000 0.019 0.000 0.886 15 D CB 1.599 42.408 40.800 0.016 0.000 1.120 15 D HN 0.046 nan 8.370 nan 0.000 0.482 16 P HA 0.009 nan 4.420 nan 0.000 0.257 16 P C 0.483 177.790 177.300 0.010 0.000 1.281 16 P CA 0.127 63.235 63.100 0.012 0.000 0.826 16 P CB 0.240 31.948 31.700 0.012 0.000 1.237 17 S N -1.851 113.855 115.700 0.010 0.000 2.556 17 S HA 0.133 4.592 4.470 -0.018 0.000 0.216 17 S C 0.784 175.388 174.600 0.007 0.000 0.970 17 S CA -0.308 57.896 58.200 0.008 0.000 0.912 17 S CB -0.587 62.618 63.200 0.007 0.000 0.790 17 S HN -0.127 nan 8.310 nan 0.000 0.504 18 V N 2.668 122.587 119.914 0.008 0.000 2.546 18 V HA 0.574 4.683 4.120 -0.018 0.000 0.284 18 V C 1.334 177.432 176.094 0.007 0.000 1.050 18 V CA -0.482 61.823 62.300 0.007 0.000 0.981 18 V CB 0.730 32.559 31.823 0.009 0.000 0.990 18 V HN 0.473 nan 8.190 nan 0.000 0.474 19 G N 5.146 113.950 108.800 0.005 0.000 2.732 19 G HA2 0.175 4.124 3.960 -0.018 0.000 0.244 19 G HA3 0.175 4.124 3.960 -0.018 0.000 0.244 19 G C -0.992 173.913 174.900 0.008 0.000 1.226 19 G CA -0.414 44.689 45.100 0.006 0.000 0.860 19 G HN 0.638 nan 8.290 nan 0.000 0.583 20 P HA -0.025 nan 4.420 nan 0.000 0.225 20 P C 1.633 178.940 177.300 0.012 0.000 1.156 20 P CA 0.862 63.968 63.100 0.010 0.000 0.787 20 P CB 0.270 31.976 31.700 0.009 0.000 0.802 21 I N -0.876 119.699 120.570 0.010 0.000 2.429 21 I HA -0.095 4.064 4.170 -0.018 0.000 0.247 21 I C 2.638 178.762 176.117 0.011 0.000 1.099 21 I CA 0.650 61.957 61.300 0.011 0.000 1.422 21 I CB -0.645 37.360 38.000 0.008 0.000 1.112 21 I HN -0.231 nan 8.210 nan 0.000 0.430 22 I N 1.317 121.891 120.570 0.007 0.000 2.099 22 I HA -0.328 3.831 4.170 -0.018 0.000 0.239 22 I C 2.606 178.730 176.117 0.011 0.000 1.066 22 I CA 1.705 63.007 61.300 0.004 0.000 1.324 22 I CB -0.514 37.487 38.000 0.000 0.000 1.037 22 I HN 0.135 nan 8.210 nan 0.000 0.401 23 K N 0.294 120.703 120.400 0.015 0.000 2.160 23 K HA -0.284 4.025 4.320 -0.018 0.000 0.206 23 K C 2.211 178.829 176.600 0.030 0.000 1.047 23 K CA 1.476 57.777 56.287 0.022 0.000 0.930 23 K CB -0.043 32.468 32.500 0.019 0.000 0.720 23 K HN 0.133 nan 8.250 nan 0.000 0.450 24 Q N 0.388 120.204 119.800 0.027 0.000 2.020 24 Q HA -0.221 4.108 4.340 -0.018 0.000 0.202 24 Q C 2.376 178.404 176.000 0.047 0.000 0.982 24 Q CA 2.704 58.526 55.803 0.033 0.000 0.838 24 Q CB -0.718 28.035 28.738 0.026 0.000 0.899 24 Q HN 0.416 nan 8.270 nan 0.000 0.423 25 Q N -0.040 119.783 119.800 0.039 0.000 2.047 25 Q HA -0.243 4.086 4.340 -0.018 0.000 0.211 25 Q C 2.262 178.314 176.000 0.088 0.000 1.005 25 Q CA 2.950 58.782 55.803 0.048 0.000 0.866 25 Q CB -1.656 27.089 28.738 0.011 0.000 0.938 25 Q HN 0.645 nan 8.270 nan 0.000 0.414 26 A N 0.187 123.050 122.820 0.071 0.000 1.851 26 A HA -0.181 4.128 4.320 -0.018 0.000 0.216 26 A C 2.593 180.272 177.584 0.159 0.000 1.195 26 A CA 2.731 54.838 52.037 0.118 0.000 0.622 26 A CB -1.215 17.830 19.000 0.074 0.000 0.831 26 A HN 0.633 nan 8.150 nan 0.000 0.444 27 T N 0.395 115.008 114.554 0.098 0.000 2.699 27 T HA -0.162 4.177 4.350 -0.018 0.000 0.268 27 T C 1.493 176.244 174.700 0.084 0.000 1.036 27 T CA 1.631 63.778 62.100 0.078 0.000 1.147 27 T CB -0.507 68.390 68.868 0.049 0.000 0.862 27 T HN 0.512 nan 8.240 nan 0.000 0.446 28 D N 0.243 120.701 120.400 0.097 0.000 2.144 28 D HA -0.047 4.582 4.640 -0.018 0.000 0.200 28 D C 1.799 178.179 176.300 0.133 0.000 0.978 28 D CA 0.727 54.783 54.000 0.094 0.000 0.833 28 D CB -0.363 40.490 40.800 0.089 0.000 0.961 28 D HN 0.326 nan 8.370 nan 0.000 0.470 29 F N 1.960 121.922 119.950 0.019 0.000 2.051 29 F HA -0.134 4.381 4.527 -0.019 0.000 0.296 29 F C 2.299 178.116 175.800 0.027 0.000 1.122 29 F CA 1.045 59.059 58.000 0.023 0.000 1.201 29 F CB -0.522 38.492 39.000 0.023 0.000 0.978 29 F HN -0.177 nan 8.300 nan 0.000 0.472 30 I N 0.219 120.809 120.570 0.032 0.000 2.194 30 I HA -0.308 3.851 4.170 -0.018 0.000 0.246 30 I C 2.696 178.753 176.117 -0.100 0.000 1.093 30 I CA 1.566 62.823 61.300 -0.072 0.000 1.355 30 I CB -1.421 36.602 38.000 0.038 0.000 1.046 30 I HN 0.345 nan 8.210 nan 0.000 0.413 31 G N 0.544 109.319 108.800 -0.042 0.000 2.402 31 G HA2 -0.279 3.670 3.960 -0.018 0.000 0.216 31 G HA3 -0.279 3.670 3.960 -0.018 0.000 0.216 31 G C 1.807 176.672 174.900 -0.058 0.000 1.162 31 G CA 1.040 46.119 45.100 -0.036 0.000 0.777 31 G HN 0.516 nan 8.290 nan 0.000 0.539 32 S N 0.849 116.501 115.700 -0.079 0.000 2.370 32 S HA -0.060 4.399 4.470 -0.018 0.000 0.226 32 S C 2.338 176.871 174.600 -0.112 0.000 1.033 32 S CA 1.150 59.303 58.200 -0.078 0.000 1.011 32 S CB -0.542 62.612 63.200 -0.076 0.000 0.852 32 S HN 0.273 nan 8.310 nan 0.000 0.457 33 L N 0.721 121.817 121.223 -0.212 0.000 2.270 33 L HA -0.160 4.169 4.340 -0.018 0.000 0.217 33 L C 3.060 179.898 176.870 -0.053 0.000 1.107 33 L CA 1.539 56.275 54.840 -0.174 0.000 0.772 33 L CB -0.431 41.489 42.059 -0.230 0.000 0.902 33 L HN 0.399 nan 8.230 nan 0.000 0.439 34 R N -1.005 119.466 120.500 -0.049 0.000 2.090 34 R HA -0.058 4.271 4.340 -0.018 0.000 0.219 34 R C 2.616 178.914 176.300 -0.004 0.000 1.100 34 R CA 1.358 57.441 56.100 -0.029 0.000 0.991 34 R CB -0.134 30.142 30.300 -0.040 0.000 0.893 34 R HN 0.441 nan 8.270 nan 0.000 0.443 35 S N 0.906 116.607 115.700 0.002 0.000 2.341 35 S HA -0.050 4.409 4.470 -0.018 0.000 0.216 35 S C 1.188 175.824 174.600 0.061 0.000 1.034 35 S CA 0.228 58.443 58.200 0.025 0.000 0.964 35 S CB -0.495 62.714 63.200 0.016 0.000 0.882 35 S HN 0.272 nan 8.310 nan 0.000 0.469 36 S N 1.508 117.236 115.700 0.048 0.000 2.542 36 S HA 0.324 4.783 4.470 -0.018 0.000 0.287 36 S C 1.039 175.722 174.600 0.138 0.000 1.315 36 S CA 0.128 58.368 58.200 0.067 0.000 1.037 36 S CB -0.049 63.168 63.200 0.028 0.000 0.822 36 S HN 0.847 nan 8.310 nan 0.000 0.513 37 S N 0.944 116.730 115.700 0.144 0.000 2.558 37 S HA 0.184 4.643 4.470 -0.018 0.000 0.217 37 S C 1.580 176.291 174.600 0.185 0.000 0.975 37 S CA 0.617 58.954 58.200 0.229 0.000 0.912 37 S CB -0.330 62.975 63.200 0.175 0.000 0.776 37 S HN 0.805 nan 8.310 nan 0.000 0.526 38 T N 0.017 114.607 114.554 0.060 0.000 3.038 38 T HA 0.217 4.556 4.350 -0.018 0.000 0.244 38 T C 2.174 176.776 174.700 -0.163 0.000 1.016 38 T CA 0.561 62.617 62.100 -0.073 0.000 1.098 38 T CB -0.404 68.439 68.868 -0.042 0.000 0.954 38 T HN 0.407 nan 8.240 nan 0.000 0.469 39 G N 2.771 111.537 108.800 -0.056 0.000 2.631 39 G HA2 -0.299 3.650 3.960 -0.018 0.000 0.219 39 G HA3 -0.299 3.650 3.960 -0.018 0.000 0.219 39 G C 1.613 176.483 174.900 -0.051 0.000 1.214 39 G CA 1.334 46.394 45.100 -0.067 0.000 0.785 39 G HN 0.718 nan 8.290 nan 0.000 0.596 40 W N 1.954 123.273 121.300 0.031 0.000 2.321 40 W HA -0.126 4.521 4.660 -0.022 0.000 0.285 40 W C 2.191 178.784 176.519 0.122 0.000 1.213 40 W CA 2.517 59.895 57.345 0.054 0.000 1.205 40 W CB -0.764 28.741 29.460 0.074 0.000 1.134 40 W HN 0.414 nan 8.180 nan 0.000 0.549 41 K N 1.787 121.557 120.400 -1.050 0.000 2.097 41 K HA -0.086 4.223 4.320 -0.018 0.000 0.205 41 K C 1.912 178.310 176.600 -0.337 0.000 1.050 41 K CA 2.091 57.737 56.287 -1.067 0.000 0.938 41 K CB -1.096 30.820 32.500 -0.974 0.000 0.718 41 K HN 0.461 nan 8.250 nan 0.000 0.442 42 I N 0.597 121.047 120.570 -0.200 0.000 2.127 42 I HA -0.347 3.812 4.170 -0.018 0.000 0.241 42 I C 2.679 178.809 176.117 0.022 0.000 1.075 42 I CA 1.415 62.679 61.300 -0.060 0.000 1.334 42 I CB -0.618 37.375 38.000 -0.012 0.000 1.040 42 I HN 0.380 nan 8.210 nan 0.000 0.405 43 C N -0.127 119.218 119.300 0.075 0.000 2.413 43 C HA -0.247 4.201 4.460 -0.018 0.000 0.276 43 C C 2.755 177.919 174.990 0.290 0.000 1.248 43 C CA 1.278 60.387 59.018 0.152 0.000 1.742 43 C CB -1.668 26.159 27.740 0.144 0.000 2.017 43 C HN 0.557 nan 8.230 nan 0.000 0.481 44 H N 0.624 119.822 119.070 0.212 0.000 2.518 44 H HA -0.118 4.425 4.556 -0.021 0.000 0.294 44 H C 2.126 177.615 175.328 0.267 0.000 1.083 44 H CA 1.524 57.774 56.048 0.337 0.000 1.264 44 H CB 0.249 30.226 29.762 0.358 0.000 1.370 44 H HN 0.665 nan 8.280 nan 0.000 0.560 45 E N 0.574 120.867 120.200 0.154 0.000 2.065 45 E HA -0.063 4.276 4.350 -0.018 0.000 0.191 45 E C 2.241 178.743 176.600 -0.163 0.000 0.960 45 E CA 0.607 56.978 56.400 -0.047 0.000 0.824 45 E CB -1.092 28.552 29.700 -0.094 0.000 0.793 45 E HN 0.320 nan 8.360 nan 0.000 0.459 46 I N 1.237 121.696 120.570 -0.185 0.000 2.074 46 I HA -0.331 3.828 4.170 -0.018 0.000 0.238 46 I C 2.645 178.463 176.117 -0.498 0.000 1.037 46 I CA 2.731 63.730 61.300 -0.502 0.000 1.301 46 I CB -1.278 36.595 38.000 -0.212 0.000 1.016 46 I HN 0.727 nan 8.210 nan 0.000 0.400 47 F N 2.825 122.606 119.950 -0.281 0.000 2.111 47 F HA -0.302 4.216 4.527 -0.015 0.000 0.300 47 F C 2.526 178.048 175.800 -0.463 0.000 1.088 47 F CA 2.521 60.354 58.000 -0.278 0.000 1.243 47 F CB -1.650 37.249 39.000 -0.168 0.000 0.996 47 F HN 0.386 nan 8.300 nan 0.000 0.483 48 S N -0.948 113.820 115.700 -1.553 0.000 2.522 48 S HA -0.012 4.446 4.470 -0.018 0.000 0.227 48 S C 0.559 174.793 174.600 -0.611 0.000 0.986 48 S CA 0.134 57.510 58.200 -1.373 0.000 0.929 48 S CB -0.633 61.922 63.200 -1.075 0.000 0.769 48 S HN 0.454 nan 8.310 nan 0.000 0.529 49 E N 1.694 121.605 120.200 -0.482 0.000 1.996 49 E HA 0.343 4.682 4.350 -0.018 0.000 0.280 49 E C 0.686 177.258 176.600 -0.047 0.000 1.092 49 E CA 0.008 56.285 56.400 -0.204 0.000 0.862 49 E CB 1.103 30.668 29.700 -0.224 0.000 1.066 49 E HN 0.602 nan 8.360 nan 0.000 0.396 50 K N 1.851 122.277 120.400 0.044 0.000 2.393 50 K HA 0.045 4.354 4.320 -0.018 0.000 0.193 50 K C 1.657 178.344 176.600 0.146 0.000 1.026 50 K CA 0.713 57.076 56.287 0.128 0.000 1.064 50 K CB -0.011 32.610 32.500 0.201 0.000 0.833 50 K HN 0.293 nan 8.250 nan 0.000 0.521 51 T N 0.291 114.930 114.554 0.142 0.000 2.904 51 T HA 0.099 4.438 4.350 -0.018 0.000 0.243 51 T C 2.589 177.356 174.700 0.112 0.000 1.024 51 T CA 1.429 63.596 62.100 0.111 0.000 1.158 51 T CB -0.049 68.867 68.868 0.080 0.000 0.867 51 T HN 0.529 nan 8.240 nan 0.000 0.429 52 K N 0.588 121.079 120.400 0.151 0.000 2.504 52 K HA 0.106 4.415 4.320 -0.018 0.000 0.195 52 K C 0.034 176.504 176.600 -0.217 0.000 1.036 52 K CA 0.782 57.052 56.287 -0.029 0.000 0.984 52 K CB -0.763 31.685 32.500 -0.087 0.000 0.788 52 K HN 0.564 nan 8.250 nan 0.000 0.488 53 Y N -0.023 120.295 120.300 0.029 0.000 2.462 53 Y HA 0.410 4.949 4.550 -0.019 0.000 0.346 53 Y C 0.152 176.089 175.900 0.061 0.000 0.976 53 Y CA -1.809 56.317 58.100 0.043 0.000 1.044 53 Y CB 2.040 40.525 38.460 0.041 0.000 1.230 53 Y HN -0.105 nan 8.280 nan 0.000 0.455 54 K N 3.288 123.810 120.400 0.205 0.000 2.118 54 K HA 0.252 4.561 4.320 -0.018 0.000 0.264 54 K C -1.972 174.746 176.600 0.197 0.000 1.000 54 K CA -1.596 54.790 56.287 0.165 0.000 0.929 54 K CB 0.852 33.427 32.500 0.124 0.000 1.021 54 K HN 0.292 nan 8.250 nan 0.000 0.463 55 P HA -0.244 nan 4.420 nan 0.000 0.216 55 P C 0.848 178.334 177.300 0.310 0.000 1.157 55 P CA 1.507 64.746 63.100 0.231 0.000 0.880 55 P CB 0.192 31.991 31.700 0.164 0.000 0.791 56 S N -0.735 115.132 115.700 0.278 0.000 2.390 56 S HA -0.264 4.195 4.470 -0.018 0.000 0.234 56 S C 1.922 176.632 174.600 0.182 0.000 1.063 56 S CA 2.433 60.764 58.200 0.219 0.000 1.108 56 S CB -1.896 61.395 63.200 0.152 0.000 0.975 56 S HN 0.315 nan 8.310 nan 0.000 0.442 57 T N 2.100 116.767 114.554 0.187 0.000 2.698 57 T HA -0.003 4.335 4.350 -0.018 0.000 0.260 57 T C 1.941 176.750 174.700 0.181 0.000 1.044 57 T CA 1.070 63.280 62.100 0.183 0.000 1.149 57 T CB -0.289 68.714 68.868 0.225 0.000 0.864 57 T HN 0.336 nan 8.240 nan 0.000 0.419 58 R N 0.591 121.208 120.500 0.196 0.000 2.134 58 R HA -0.156 4.172 4.340 -0.018 0.000 0.248 58 R C 2.391 178.799 176.300 0.181 0.000 1.143 58 R CA 1.464 57.669 56.100 0.175 0.000 0.957 58 R CB -0.907 29.497 30.300 0.174 0.000 0.867 58 R HN 0.232 nan 8.270 nan 0.000 0.441 59 L N 1.418 122.775 121.223 0.224 0.000 1.978 59 L HA -0.211 4.118 4.340 -0.018 0.000 0.218 59 L C 2.033 178.973 176.870 0.117 0.000 1.075 59 L CA 1.821 56.791 54.840 0.216 0.000 0.767 59 L CB -0.564 41.651 42.059 0.260 0.000 0.890 59 L HN 0.170 nan 8.230 nan 0.000 0.434 60 I N -1.159 119.466 120.570 0.091 0.000 2.423 60 I HA -0.377 3.782 4.170 -0.018 0.000 0.254 60 I C 2.447 178.594 176.117 0.051 0.000 1.151 60 I CA 1.180 62.513 61.300 0.055 0.000 1.421 60 I CB -0.600 37.434 38.000 0.056 0.000 1.079 60 I HN 0.440 nan 8.210 nan 0.000 0.431 61 C N 0.289 119.634 119.300 0.075 0.000 2.476 61 C HA -0.057 4.392 4.460 -0.018 0.000 0.278 61 C C 2.699 177.693 174.990 0.007 0.000 1.274 61 C CA 0.230 59.286 59.018 0.064 0.000 1.713 61 C CB -0.824 26.984 27.740 0.113 0.000 2.039 61 C HN 0.451 nan 8.230 nan 0.000 0.484 62 L N 0.630 121.856 121.223 0.004 0.000 2.012 62 L HA -0.258 4.071 4.340 -0.018 0.000 0.210 62 L C 2.864 179.717 176.870 -0.029 0.000 1.073 62 L CA 1.692 56.497 54.840 -0.059 0.000 0.748 62 L CB -0.825 41.248 42.059 0.024 0.000 0.891 62 L HN 0.500 nan 8.230 nan 0.000 0.431 63 Q N -0.966 118.843 119.800 0.015 0.000 2.030 63 Q HA -0.259 4.069 4.340 -0.018 0.000 0.204 63 Q C 2.235 178.221 176.000 -0.024 0.000 0.986 63 Q CA 2.261 58.072 55.803 0.013 0.000 0.843 63 Q CB -0.570 28.174 28.738 0.009 0.000 0.904 63 Q HN 0.499 nan 8.270 nan 0.000 0.420 64 T N 0.981 115.518 114.554 -0.028 0.000 2.665 64 T HA -0.174 4.165 4.350 -0.018 0.000 0.268 64 T C 1.910 176.552 174.700 -0.098 0.000 1.035 64 T CA 1.196 63.268 62.100 -0.046 0.000 1.151 64 T CB -0.290 68.569 68.868 -0.014 0.000 0.862 64 T HN 0.209 nan 8.240 nan 0.000 0.438 65 L N 0.789 121.954 121.223 -0.097 0.000 2.081 65 L HA -0.124 4.205 4.340 -0.018 0.000 0.212 65 L C 3.089 179.793 176.870 -0.276 0.000 1.080 65 L CA 1.685 56.414 54.840 -0.184 0.000 0.754 65 L CB -0.523 41.413 42.059 -0.205 0.000 0.893 65 L HN 0.342 nan 8.230 nan 0.000 0.433 66 S N -0.828 114.759 115.700 -0.187 0.000 2.345 66 S HA -0.143 4.316 4.470 -0.018 0.000 0.220 66 S C 1.805 176.268 174.600 -0.228 0.000 1.031 66 S CA 0.880 58.965 58.200 -0.191 0.000 0.996 66 S CB -0.196 62.984 63.200 -0.034 0.000 0.882 66 S HN 0.380 nan 8.310 nan 0.000 0.445 67 E N 1.446 121.545 120.200 -0.168 0.000 2.219 67 E HA -0.154 4.185 4.350 -0.018 0.000 0.198 67 E C 2.420 178.811 176.600 -0.349 0.000 0.998 67 E CA 1.512 57.801 56.400 -0.186 0.000 0.818 67 E CB -0.409 29.218 29.700 -0.121 0.000 0.741 67 E HN 0.659 nan 8.360 nan 0.000 0.477 68 K N 0.827 120.919 120.400 -0.513 0.000 2.007 68 K HA -0.030 4.279 4.320 -0.018 0.000 0.206 68 K C 2.391 178.174 176.600 -1.361 0.000 1.047 68 K CA 1.254 56.932 56.287 -1.014 0.000 0.937 68 K CB -1.140 30.667 32.500 -1.155 0.000 0.718 68 K HN 0.036 nan 8.250 nan 0.000 0.438 69 V N 1.254 120.617 119.914 -0.919 0.000 2.332 69 V HA -0.259 3.850 4.120 -0.018 0.000 0.248 69 V C 2.663 178.546 176.094 -0.352 0.000 1.055 69 V CA 2.202 64.169 62.300 -0.555 0.000 1.038 69 V CB -0.586 31.039 31.823 -0.330 0.000 0.651 69 V HN 0.655 nan 8.190 nan 0.000 0.450 70 R N 0.260 120.567 120.500 -0.322 0.000 2.127 70 R HA -0.192 4.137 4.340 -0.018 0.000 0.238 70 R C 2.282 178.480 176.300 -0.170 0.000 1.134 70 R CA 1.906 57.884 56.100 -0.204 0.000 0.975 70 R CB -0.139 30.065 30.300 -0.160 0.000 0.865 70 R HN 0.519 nan 8.270 nan 0.000 0.447 71 E N -0.638 119.410 120.200 -0.252 0.000 2.472 71 E HA 0.014 4.353 4.350 -0.018 0.000 0.196 71 E C -0.358 176.238 176.600 -0.007 0.000 1.033 71 E CA -0.181 56.129 56.400 -0.149 0.000 0.886 71 E CB -0.032 29.566 29.700 -0.170 0.000 0.944 71 E HN 0.315 nan 8.360 nan 0.000 0.492 72 W N 1.063 122.290 121.300 -0.122 0.000 2.089 72 W HA 0.517 5.164 4.660 -0.021 0.000 0.362 72 W C 0.825 177.284 176.519 -0.101 0.000 1.362 72 W CA -1.107 56.162 57.345 -0.127 0.000 1.460 72 W CB -0.075 29.278 29.460 -0.178 0.000 1.204 72 W HN 0.075 nan 8.180 nan 0.000 0.657 73 N N 0.709 119.501 118.700 0.153 0.000 2.384 73 N HA 0.133 4.862 4.740 -0.018 0.000 0.301 73 N C 0.686 176.192 175.510 -0.006 0.000 1.133 73 N CA -0.292 52.780 53.050 0.037 0.000 0.853 73 N CB 1.027 39.513 38.487 -0.001 0.000 1.241 73 N HN 0.224 nan 8.380 nan 0.000 0.502 74 N N 0.485 119.173 118.700 -0.020 0.000 2.244 74 N HA -0.159 4.570 4.740 -0.018 0.000 0.183 74 N C 1.218 176.693 175.510 -0.057 0.000 1.016 74 N CA 1.192 54.220 53.050 -0.038 0.000 0.866 74 N CB -0.024 38.440 38.487 -0.038 0.000 0.980 74 N HN 0.729 nan 8.380 nan 0.000 0.430 75 E N -0.114 120.053 120.200 -0.056 0.000 2.127 75 E HA 0.165 4.504 4.350 -0.018 0.000 0.191 75 E C 2.257 178.807 176.600 -0.084 0.000 0.964 75 E CA 0.944 57.307 56.400 -0.062 0.000 0.832 75 E CB -1.212 28.460 29.700 -0.047 0.000 0.790 75 E HN 0.506 nan 8.360 nan 0.000 0.465 76 S N 1.335 116.979 115.700 -0.095 0.000 2.414 76 S HA 0.030 4.489 4.470 -0.018 0.000 0.227 76 S C 1.823 176.292 174.600 -0.218 0.000 1.022 76 S CA 1.009 59.134 58.200 -0.125 0.000 0.958 76 S CB -0.421 62.718 63.200 -0.102 0.000 0.797 76 S HN 0.382 nan 8.310 nan 0.000 0.493 77 N N 0.645 119.182 118.700 -0.272 0.000 2.282 77 N HA 0.189 4.918 4.740 -0.018 0.000 0.240 77 N C 0.818 176.127 175.510 -0.335 0.000 1.182 77 N CA -0.152 52.608 53.050 -0.484 0.000 0.874 77 N CB 0.847 38.844 38.487 -0.816 0.000 1.126 77 N HN 0.268 nan 8.380 nan 0.000 0.516 78 L N 1.146 122.252 121.223 -0.194 0.000 1.989 78 L HA -0.046 4.283 4.340 -0.018 0.000 0.211 78 L C 2.015 178.811 176.870 -0.124 0.000 1.071 78 L CA 1.603 56.365 54.840 -0.130 0.000 0.749 78 L CB -0.434 41.571 42.059 -0.090 0.000 0.890 78 L HN 0.144 nan 8.230 nan 0.000 0.431 79 L N -0.907 120.245 121.223 -0.119 0.000 2.079 79 L HA -0.238 4.091 4.340 -0.018 0.000 0.210 79 L C 2.487 179.310 176.870 -0.077 0.000 1.081 79 L CA 1.528 56.322 54.840 -0.077 0.000 0.752 79 L CB -0.665 41.362 42.059 -0.054 0.000 0.896 79 L HN 0.395 nan 8.230 nan 0.000 0.433 80 E N 0.263 120.356 120.200 -0.179 0.000 2.051 80 E HA -0.210 4.129 4.350 -0.018 0.000 0.192 80 E C 2.343 178.864 176.600 -0.131 0.000 0.991 80 E CA 1.034 57.303 56.400 -0.218 0.000 0.799 80 E CB -0.195 29.076 29.700 -0.716 0.000 0.748 80 E HN 0.431 nan 8.360 nan 0.000 0.449 81 L N 0.951 122.097 121.223 -0.129 0.000 2.042 81 L HA -0.268 4.061 4.340 -0.018 0.000 0.210 81 L C 2.548 179.390 176.870 -0.047 0.000 1.076 81 L CA 1.435 56.275 54.840 0.000 0.000 0.749 81 L CB -0.440 41.623 42.059 0.007 0.000 0.893 81 L HN 0.163 nan 8.230 nan 0.000 0.432 82 Q N -0.864 118.896 119.800 -0.067 0.000 2.172 82 Q HA -0.200 4.129 4.340 -0.018 0.000 0.200 82 Q C 2.255 178.235 176.000 -0.034 0.000 0.964 82 Q CA 1.318 57.069 55.803 -0.087 0.000 0.855 82 Q CB -0.132 28.561 28.738 -0.076 0.000 0.918 82 Q HN 0.496 nan 8.270 nan 0.000 0.444 83 M N 0.425 120.049 119.600 0.040 0.000 2.117 83 M HA -0.175 4.293 4.480 -0.018 0.000 0.262 83 M C 1.842 178.217 176.300 0.125 0.000 1.065 83 M CA 1.468 56.864 55.300 0.160 0.000 1.114 83 M CB 0.081 32.858 32.600 0.296 0.000 1.361 83 M HN 0.205 nan 8.290 nan 0.000 0.408 84 I N -0.528 120.020 120.570 -0.038 0.000 2.133 84 I HA -0.334 3.825 4.170 -0.018 0.000 0.238 84 I C 2.612 178.698 176.117 -0.051 0.000 1.074 84 I CA 1.472 62.648 61.300 -0.206 0.000 1.342 84 I CB -0.695 37.198 38.000 -0.178 0.000 1.053 84 I HN 0.366 nan 8.210 nan 0.000 0.404 85 R N 1.269 121.723 120.500 -0.078 0.000 2.133 85 R HA -0.272 4.057 4.340 -0.018 0.000 0.245 85 R C 1.877 178.190 176.300 0.021 0.000 1.137 85 R CA 2.585 58.606 56.100 -0.132 0.000 0.947 85 R CB -0.512 29.502 30.300 -0.476 0.000 0.865 85 R HN 0.374 nan 8.270 nan 0.000 0.437 86 D N -0.100 120.318 120.400 0.030 0.000 2.123 86 D HA -0.121 4.507 4.640 -0.018 0.000 0.196 86 D C 1.959 178.400 176.300 0.235 0.000 0.992 86 D CA 1.710 55.791 54.000 0.135 0.000 0.833 86 D CB -0.225 40.635 40.800 0.100 0.000 0.954 86 D HN 0.280 nan 8.370 nan 0.000 0.455 87 S N -0.133 115.736 115.700 0.282 0.000 2.406 87 S HA -0.045 4.414 4.470 -0.018 0.000 0.228 87 S C 2.259 177.190 174.600 0.552 0.000 1.020 87 S CA 0.201 58.641 58.200 0.401 0.000 0.965 87 S CB 0.170 63.729 63.200 0.598 0.000 0.798 87 S HN 0.088 nan 8.310 nan 0.000 0.488 88 V N 0.186 120.413 119.914 0.521 0.000 2.446 88 V HA -0.041 4.068 4.120 -0.018 0.000 0.244 88 V C 1.729 178.195 176.094 0.620 0.000 1.039 88 V CA 1.014 63.665 62.300 0.584 0.000 1.045 88 V CB -0.470 31.552 31.823 0.331 0.000 0.681 88 V HN 0.707 nan 8.190 nan 0.000 0.459 89 W N 1.083 122.562 121.300 0.298 0.000 2.392 89 W HA -0.226 4.441 4.660 0.012 0.000 0.279 89 W C 2.602 179.273 176.519 0.254 0.000 1.225 89 W CA 1.052 58.586 57.345 0.314 0.000 1.233 89 W CB 0.208 29.844 29.460 0.293 0.000 1.122 89 W HN 0.468 nan 8.180 nan 0.000 0.561 90 S N -0.793 115.095 115.700 0.313 0.000 2.395 90 S HA -0.287 4.172 4.470 -0.018 0.000 0.225 90 S C 1.611 176.324 174.600 0.189 0.000 1.027 90 S CA 0.917 59.179 58.200 0.104 0.000 0.965 90 S CB -1.335 61.931 63.200 0.110 0.000 0.812 90 S HN 0.407 nan 8.310 nan 0.000 0.482 91 Y N 1.967 122.378 120.300 0.185 0.000 2.571 91 Y HA 0.279 4.815 4.550 -0.023 0.000 0.294 91 Y C 1.556 177.603 175.900 0.246 0.000 1.141 91 Y CA 0.025 58.226 58.100 0.169 0.000 1.308 91 Y CB -0.338 38.257 38.460 0.224 0.000 1.002 91 Y HN 0.304 nan 8.280 nan 0.000 0.551 92 I N -0.843 119.868 120.570 0.235 0.000 2.628 92 I HA -0.161 3.998 4.170 -0.018 0.000 0.255 92 I C 2.035 178.333 176.117 0.302 0.000 1.119 92 I CA 0.564 62.065 61.300 0.335 0.000 1.448 92 I CB -0.177 38.224 38.000 0.670 0.000 1.133 92 I HN -0.071 nan 8.210 nan 0.000 0.438 93 K N 0.866 121.277 120.400 0.020 0.000 2.209 93 K HA -0.170 4.139 4.320 -0.018 0.000 0.204 93 K C 0.742 177.267 176.600 -0.125 0.000 1.048 93 K CA 0.725 56.885 56.287 -0.212 0.000 0.940 93 K CB -0.158 32.066 32.500 -0.460 0.000 0.729 93 K HN 0.095 nan 8.250 nan 0.000 0.451 94 E N 1.308 121.483 120.200 -0.041 0.000 2.070 94 E HA 0.086 4.425 4.350 -0.018 0.000 0.282 94 E C -0.067 176.515 176.600 -0.029 0.000 1.104 94 E CA -0.051 56.332 56.400 -0.028 0.000 0.876 94 E CB 0.663 30.390 29.700 0.045 0.000 1.055 94 E HN 0.112 nan 8.360 nan 0.000 0.401 95 L N 3.645 124.801 121.223 -0.113 0.000 2.939 95 L HA 0.235 4.564 4.340 -0.018 0.000 0.239 95 L C 1.264 177.951 176.870 -0.304 0.000 1.325 95 L CA 0.560 55.254 54.840 -0.244 0.000 1.170 95 L CB -0.929 40.960 42.059 -0.283 0.000 1.538 95 L HN 0.602 nan 8.230 nan 0.000 0.452 96 S N -0.566 115.040 115.700 -0.157 0.000 2.558 96 S HA 0.056 4.514 4.470 -0.018 0.000 0.217 96 S C 1.548 176.113 174.600 -0.058 0.000 0.975 96 S CA 0.847 58.998 58.200 -0.082 0.000 0.912 96 S CB -0.453 62.773 63.200 0.044 0.000 0.776 96 S HN 1.046 nan 8.310 nan 0.000 0.526 97 F N 0.591 120.441 119.950 -0.168 0.000 2.664 97 F HA 0.370 4.883 4.527 -0.024 0.000 0.296 97 F C 1.277 177.033 175.800 -0.074 0.000 1.125 97 F CA 0.115 58.052 58.000 -0.106 0.000 1.444 97 F CB -0.684 38.148 39.000 -0.281 0.000 1.114 97 F HN 0.021 nan 8.300 nan 0.000 0.576 98 L N 0.626 121.390 121.223 -0.765 0.000 2.313 98 L HA -0.076 4.253 4.340 -0.018 0.000 0.214 98 L C 1.289 178.046 176.870 -0.188 0.000 1.119 98 L CA 1.089 55.647 54.840 -0.469 0.000 0.809 98 L CB -0.795 40.941 42.059 -0.538 0.000 0.933 98 L HN 0.110 nan 8.230 nan 0.000 0.449 99 D N -1.013 119.293 120.400 -0.157 0.000 2.349 99 D HA 0.034 4.663 4.640 -0.018 0.000 0.224 99 D C 0.719 177.000 176.300 -0.031 0.000 1.029 99 D CA 0.278 54.233 54.000 -0.076 0.000 0.879 99 D CB 0.189 40.951 40.800 -0.064 0.000 0.906 99 D HN 0.509 nan 8.370 nan 0.000 0.528 100 E N 0.004 120.197 120.200 -0.012 0.000 2.284 100 E HA 0.377 4.716 4.350 -0.018 0.000 0.255 100 E C -2.395 174.174 176.600 -0.052 0.000 1.052 100 E CA -2.052 54.350 56.400 0.002 0.000 0.904 100 E CB 0.560 30.300 29.700 0.068 0.000 1.217 100 E HN 0.052 nan 8.360 nan 0.000 0.438 101 P HA -0.100 nan 4.420 nan 0.000 0.267 101 P C -0.364 176.787 177.300 -0.249 0.000 1.195 101 P CA 0.403 63.331 63.100 -0.286 0.000 0.773 101 P CB 0.457 31.764 31.700 -0.655 0.000 0.837 102 A N 2.439 125.170 122.820 -0.149 0.000 2.121 102 A HA -0.169 4.140 4.320 -0.018 0.000 0.218 102 A C 1.520 179.125 177.584 0.035 0.000 1.154 102 A CA 1.099 53.129 52.037 -0.012 0.000 0.679 102 A CB -1.432 17.595 19.000 0.045 0.000 0.795 102 A HN 0.728 nan 8.150 nan 0.000 0.458 103 Y N -2.075 118.291 120.300 0.110 0.000 2.571 103 Y HA 0.200 4.739 4.550 -0.018 0.000 0.294 103 Y C 1.479 177.461 175.900 0.138 0.000 1.141 103 Y CA 0.257 58.421 58.100 0.106 0.000 1.308 103 Y CB -0.800 37.709 38.460 0.080 0.000 1.002 103 Y HN 0.220 nan 8.280 nan 0.000 0.551 104 I N -0.563 120.050 120.570 0.071 0.000 2.716 104 I HA -0.143 4.016 4.170 -0.018 0.000 0.259 104 I C 2.579 178.841 176.117 0.242 0.000 1.172 104 I CA 1.001 62.422 61.300 0.202 0.000 1.478 104 I CB -0.200 37.918 38.000 0.196 0.000 1.104 104 I HN 0.333 nan 8.210 nan 0.000 0.439 105 S N 1.317 117.169 115.700 0.253 0.000 2.329 105 S HA -0.142 4.317 4.470 -0.018 0.000 0.215 105 S C 1.930 176.721 174.600 0.319 0.000 1.031 105 S CA 1.416 59.817 58.200 0.334 0.000 0.985 105 S CB -0.250 63.153 63.200 0.338 0.000 0.917 105 S HN 0.381 nan 8.310 nan 0.000 0.441 106 N N 2.170 121.025 118.700 0.259 0.000 2.137 106 N HA -0.117 4.612 4.740 -0.018 0.000 0.190 106 N C 1.859 177.497 175.510 0.213 0.000 1.017 106 N CA 1.405 54.586 53.050 0.219 0.000 0.859 106 N CB -0.778 37.810 38.487 0.170 0.000 1.002 106 N HN 0.555 nan 8.380 nan 0.000 0.428 107 A N 0.751 123.702 122.820 0.219 0.000 1.930 107 A HA -0.023 4.286 4.320 -0.018 0.000 0.217 107 A C 2.519 180.222 177.584 0.199 0.000 1.175 107 A CA 1.044 53.202 52.037 0.201 0.000 0.627 107 A CB -0.453 18.672 19.000 0.209 0.000 0.815 107 A HN 0.129 nan 8.150 nan 0.000 0.443 108 V N -0.192 119.841 119.914 0.198 0.000 2.488 108 V HA -0.248 3.861 4.120 -0.018 0.000 0.246 108 V C 2.517 178.766 176.094 0.258 0.000 1.046 108 V CA 1.858 64.260 62.300 0.170 0.000 1.053 108 V CB -0.901 30.929 31.823 0.012 0.000 0.679 108 V HN 0.609 nan 8.190 nan 0.000 0.458 109 Q N -0.303 119.698 119.800 0.335 0.000 2.061 109 Q HA -0.299 4.030 4.340 -0.018 0.000 0.204 109 Q C 2.285 178.372 176.000 0.146 0.000 0.984 109 Q CA 2.307 58.236 55.803 0.209 0.000 0.846 109 Q CB -0.355 28.465 28.738 0.137 0.000 0.902 109 Q HN 0.752 nan 8.270 nan 0.000 0.421 110 H N 0.397 119.507 119.070 0.067 0.000 2.353 110 H HA -0.133 4.412 4.556 -0.018 0.000 0.300 110 H C 1.784 177.124 175.328 0.020 0.000 1.090 110 H CA 1.441 57.507 56.048 0.029 0.000 1.327 110 H CB -0.112 29.666 29.762 0.025 0.000 1.383 110 H HN 0.167 nan 8.280 nan 0.000 0.508 111 L N -0.434 120.780 121.223 -0.014 0.000 2.005 111 L HA -0.039 4.290 4.340 -0.018 0.000 0.207 111 L C 2.325 179.184 176.870 -0.018 0.000 1.072 111 L CA 1.457 56.239 54.840 -0.097 0.000 0.744 111 L CB -1.084 40.941 42.059 -0.056 0.000 0.895 111 L HN 0.391 nan 8.230 nan 0.000 0.433 112 L N -0.716 120.564 121.223 0.096 0.000 1.997 112 L HA -0.274 4.055 4.340 -0.018 0.000 0.216 112 L C 2.388 179.325 176.870 0.110 0.000 1.074 112 L CA 2.624 57.583 54.840 0.198 0.000 0.763 112 L CB -1.113 41.088 42.059 0.238 0.000 0.890 112 L HN 0.379 nan 8.230 nan 0.000 0.434 113 T N -0.209 114.347 114.554 0.004 0.000 2.652 113 T HA -0.223 4.116 4.350 -0.018 0.000 0.267 113 T C 1.934 176.613 174.700 -0.036 0.000 1.039 113 T CA 1.986 64.047 62.100 -0.065 0.000 1.153 113 T CB -0.386 68.441 68.868 -0.068 0.000 0.863 113 T HN 0.301 nan 8.240 nan 0.000 0.428 114 L N 0.355 121.502 121.223 -0.127 0.000 2.012 114 L HA -0.110 4.219 4.340 -0.018 0.000 0.210 114 L C 2.569 179.412 176.870 -0.046 0.000 1.073 114 L CA 1.260 56.013 54.840 -0.144 0.000 0.748 114 L CB -0.698 41.188 42.059 -0.288 0.000 0.891 114 L HN 0.276 nan 8.230 nan 0.000 0.431 115 L N -1.035 120.197 121.223 0.015 0.000 1.990 115 L HA -0.299 4.030 4.340 -0.018 0.000 0.213 115 L C 2.608 179.566 176.870 0.147 0.000 1.072 115 L CA 1.663 56.566 54.840 0.105 0.000 0.755 115 L CB -0.737 41.462 42.059 0.234 0.000 0.889 115 L HN 0.177 nan 8.230 nan 0.000 0.432 116 F N 0.819 120.731 119.950 -0.063 0.000 2.091 116 F HA -0.284 4.231 4.527 -0.021 0.000 0.299 116 F C 2.238 177.896 175.800 -0.236 0.000 1.103 116 F CA 1.641 59.417 58.000 -0.373 0.000 1.228 116 F CB -0.300 38.113 39.000 -0.978 0.000 0.984 116 F HN -0.107 nan 8.300 nan 0.000 0.477 117 L N -0.199 121.023 121.223 -0.000 0.000 2.450 117 L HA -0.240 4.089 4.340 -0.018 0.000 0.225 117 L C 1.958 178.729 176.870 -0.165 0.000 1.145 117 L CA 1.277 56.061 54.840 -0.093 0.000 0.801 117 L CB -0.565 41.482 42.059 -0.019 0.000 0.924 117 L HN 0.415 nan 8.230 nan 0.000 0.447 118 Q N -1.478 118.244 119.800 -0.131 0.000 2.280 118 Q HA 0.182 4.511 4.340 -0.018 0.000 0.228 118 Q C 1.561 177.509 176.000 -0.086 0.000 0.857 118 Q CA 0.216 55.964 55.803 -0.090 0.000 0.939 118 Q CB 0.915 29.629 28.738 -0.039 0.000 1.114 118 Q HN 0.508 nan 8.270 nan 0.000 0.514 119 L N -1.379 119.791 121.223 -0.088 0.000 2.993 119 L HA 0.120 4.449 4.340 -0.018 0.000 0.264 119 L C 1.655 178.503 176.870 -0.037 0.000 1.154 119 L CA 0.043 54.871 54.840 -0.020 0.000 0.972 119 L CB 0.042 42.146 42.059 0.075 0.000 1.373 119 L HN 0.151 nan 8.230 nan 0.000 0.564 120 Y N 3.700 123.732 120.300 -0.447 0.000 2.151 120 Y HA -0.173 4.366 4.550 -0.020 0.000 0.284 120 Y C -0.474 175.279 175.900 -0.245 0.000 1.166 120 Y CA 2.100 59.866 58.100 -0.556 0.000 1.163 120 Y CB -1.216 36.301 38.460 -1.571 0.000 0.974 120 Y HN 0.131 nan 8.280 nan 0.000 0.511 121 P HA -0.081 nan 4.420 nan 0.000 0.217 121 P C 0.979 178.123 177.300 -0.260 0.000 1.151 121 P CA 2.467 65.354 63.100 -0.355 0.000 0.828 121 P CB 0.007 31.655 31.700 -0.086 0.000 0.788 122 S N -3.959 111.645 115.700 -0.159 0.000 2.728 122 S HA 0.252 4.711 4.470 -0.018 0.000 0.257 122 S C 1.302 175.874 174.600 -0.045 0.000 1.060 122 S CA -0.468 57.678 58.200 -0.090 0.000 1.126 122 S CB -0.457 62.703 63.200 -0.066 0.000 1.099 122 S HN -0.036 nan 8.310 nan 0.000 0.617 123 N N -0.345 118.342 118.700 -0.022 0.000 2.257 123 N HA 0.187 4.916 4.740 -0.018 0.000 0.200 123 N C -0.904 174.665 175.510 0.097 0.000 1.163 123 N CA 0.283 53.341 53.050 0.012 0.000 0.891 123 N CB 0.654 39.133 38.487 -0.013 0.000 1.067 123 N HN 0.456 nan 8.380 nan 0.000 0.497 124 W N 2.302 123.549 121.300 -0.088 0.000 1.683 124 W HA 0.359 5.006 4.660 -0.021 0.000 0.295 124 W C 0.885 177.380 176.519 -0.040 0.000 0.865 124 W CA -1.214 56.119 57.345 -0.021 0.000 2.079 124 W CB -1.306 28.154 29.460 0.000 0.000 2.263 124 W HN -0.008 nan 8.180 nan 0.000 0.427 125 N N 0.637 119.449 118.700 0.186 0.000 2.289 125 N HA -0.221 4.508 4.740 -0.018 0.000 0.184 125 N C 0.948 176.544 175.510 0.143 0.000 1.016 125 N CA 2.190 55.268 53.050 0.047 0.000 0.872 125 N CB -0.327 38.186 38.487 0.042 0.000 0.973 125 N HN 0.301 nan 8.380 nan 0.000 0.433 126 D N -1.821 118.742 120.400 0.272 0.000 2.395 126 D HA 0.041 4.670 4.640 -0.018 0.000 0.226 126 D C 1.058 177.443 176.300 0.141 0.000 1.146 126 D CA -0.627 53.522 54.000 0.249 0.000 0.830 126 D CB -0.735 40.240 40.800 0.292 0.000 0.958 126 D HN 0.425 nan 8.370 nan 0.000 0.501 127 F N 1.425 121.198 119.950 -0.296 0.000 2.015 127 F HA -0.188 4.329 4.527 -0.018 0.000 0.297 127 F C 1.553 177.041 175.800 -0.520 0.000 1.141 127 F CA 1.770 59.227 58.000 -0.905 0.000 1.192 127 F CB -0.534 37.824 39.000 -1.070 0.000 0.957 127 F HN -0.119 nan 8.300 nan 0.000 0.491 128 F N 0.337 120.267 119.950 -0.033 0.000 2.113 128 F HA -0.089 4.428 4.527 -0.017 0.000 0.297 128 F C 2.637 178.330 175.800 -0.179 0.000 1.103 128 F CA 1.129 59.057 58.000 -0.120 0.000 1.248 128 F CB -1.371 37.731 39.000 0.169 0.000 0.999 128 F HN 0.108 nan 8.300 nan 0.000 0.475 129 A N 0.192 123.103 122.820 0.151 0.000 1.948 129 A HA -0.261 4.048 4.320 -0.018 0.000 0.220 129 A C 2.320 179.911 177.584 0.012 0.000 1.177 129 A CA 2.416 54.491 52.037 0.063 0.000 0.636 129 A CB -1.199 17.873 19.000 0.119 0.000 0.815 129 A HN 0.445 nan 8.150 nan 0.000 0.449 130 S N -0.672 115.057 115.700 0.048 0.000 2.414 130 S HA 0.060 4.519 4.470 -0.018 0.000 0.227 130 S C 1.859 176.569 174.600 0.184 0.000 1.022 130 S CA 1.052 59.377 58.200 0.209 0.000 0.958 130 S CB -0.529 62.965 63.200 0.489 0.000 0.797 130 S HN 0.424 nan 8.310 nan 0.000 0.493 131 L N 0.911 122.046 121.223 -0.148 0.000 2.109 131 L HA -0.041 4.288 4.340 -0.018 0.000 0.207 131 L C 3.015 179.736 176.870 -0.249 0.000 1.086 131 L CA 1.305 56.048 54.840 -0.162 0.000 0.760 131 L CB -0.418 41.348 42.059 -0.488 0.000 0.910 131 L HN 0.400 nan 8.230 nan 0.000 0.437 132 Q N -0.781 118.708 119.800 -0.517 0.000 2.187 132 Q HA -0.081 4.248 4.340 -0.018 0.000 0.199 132 Q C 2.243 177.994 176.000 -0.416 0.000 0.957 132 Q CA 1.138 56.419 55.803 -0.869 0.000 0.857 132 Q CB -0.233 27.784 28.738 -1.202 0.000 0.929 132 Q HN 0.573 nan 8.270 nan 0.000 0.453 133 G N 0.335 109.030 108.800 -0.176 0.000 2.408 133 G HA2 -0.180 3.769 3.960 -0.018 0.000 0.217 133 G HA3 -0.180 3.769 3.960 -0.018 0.000 0.217 133 G C 1.485 176.385 174.900 0.001 0.000 1.150 133 G CA 0.618 45.690 45.100 -0.047 0.000 0.776 133 G HN 0.184 nan 8.290 nan 0.000 0.542 134 V N 1.174 121.115 119.914 0.044 0.000 2.427 134 V HA -0.108 4.001 4.120 -0.018 0.000 0.248 134 V C 2.734 178.823 176.094 -0.007 0.000 1.051 134 V CA 1.191 63.494 62.300 0.004 0.000 1.048 134 V CB -0.322 31.529 31.823 0.046 0.000 0.666 134 V HN 0.386 nan 8.190 nan 0.000 0.456 135 I N 0.640 121.294 120.570 0.141 0.000 2.202 135 I HA -0.202 3.957 4.170 -0.018 0.000 0.242 135 I C 2.692 178.937 176.117 0.215 0.000 1.091 135 I CA 1.501 62.974 61.300 0.287 0.000 1.368 135 I CB -0.639 37.661 38.000 0.499 0.000 1.058 135 I HN 0.299 nan 8.210 nan 0.000 0.410 136 A N 0.681 123.612 122.820 0.185 0.000 2.019 136 A HA -0.109 4.200 4.320 -0.018 0.000 0.219 136 A C 2.450 180.077 177.584 0.073 0.000 1.164 136 A CA 1.890 54.015 52.037 0.148 0.000 0.644 136 A CB -0.540 18.543 19.000 0.138 0.000 0.805 136 A HN 0.465 nan 8.150 nan 0.000 0.449 137 A N -0.109 122.733 122.820 0.037 0.000 1.887 137 A HA 0.070 4.379 4.320 -0.018 0.000 0.212 137 A C 2.494 180.068 177.584 -0.017 0.000 1.198 137 A CA 1.723 53.761 52.037 0.001 0.000 0.628 137 A CB -0.871 18.115 19.000 -0.022 0.000 0.847 137 A HN 0.897 nan 8.150 nan 0.000 0.449 138 S N -0.838 114.836 115.700 -0.043 0.000 2.368 138 S HA -0.083 4.375 4.470 -0.018 0.000 0.224 138 S C 1.055 175.653 174.600 -0.004 0.000 1.029 138 S CA 1.368 59.529 58.200 -0.067 0.000 0.988 138 S CB -0.588 62.512 63.200 -0.166 0.000 0.838 138 S HN 1.059 nan 8.310 nan 0.000 0.462 139 S N -0.480 115.251 115.700 0.052 0.000 3.586 139 S HA -0.107 4.351 4.470 -0.018 0.000 0.309 139 S C 0.116 174.775 174.600 0.099 0.000 1.195 139 S CA 0.869 59.119 58.200 0.084 0.000 0.895 139 S CB -2.464 60.765 63.200 0.047 0.000 0.983 139 S HN 1.393 nan 8.310 nan 0.000 0.563 140 Q N 0.437 120.305 119.800 0.114 0.000 2.347 140 Q HA 0.739 5.068 4.340 -0.018 0.000 0.262 140 Q C 1.057 177.169 176.000 0.187 0.000 0.980 140 Q CA 0.064 55.933 55.803 0.110 0.000 0.867 140 Q CB 0.869 29.641 28.738 0.058 0.000 1.242 140 Q HN 0.869 nan 8.270 nan 0.000 0.453 141 S N 0.792 116.573 115.700 0.135 0.000 2.370 141 S HA -0.241 4.218 4.470 -0.018 0.000 0.226 141 S C 1.334 175.979 174.600 0.075 0.000 1.033 141 S CA 1.579 59.827 58.200 0.081 0.000 1.011 141 S CB -0.156 63.005 63.200 -0.065 0.000 0.852 141 S HN 0.842 nan 8.310 nan 0.000 0.457 142 E N 0.246 120.487 120.200 0.069 0.000 2.171 142 E HA -0.152 4.187 4.350 -0.018 0.000 0.197 142 E C 1.669 178.365 176.600 0.159 0.000 0.997 142 E CA 1.400 57.840 56.400 0.067 0.000 0.810 142 E CB -0.323 29.390 29.700 0.021 0.000 0.738 142 E HN 0.679 nan 8.360 nan 0.000 0.467 143 F N 1.067 121.071 119.950 0.090 0.000 2.234 143 F HA -0.092 4.428 4.527 -0.011 0.000 0.296 143 F C 2.372 178.366 175.800 0.323 0.000 1.089 143 F CA 0.951 59.076 58.000 0.208 0.000 1.343 143 F CB 0.029 39.121 39.000 0.153 0.000 1.040 143 F HN -0.166 nan 8.300 nan 0.000 0.498 144 S N 0.669 116.579 115.700 0.350 0.000 2.370 144 S HA -0.231 4.228 4.470 -0.018 0.000 0.226 144 S C 1.588 176.296 174.600 0.181 0.000 1.033 144 S CA 1.787 60.182 58.200 0.326 0.000 1.011 144 S CB -0.575 62.809 63.200 0.307 0.000 0.852 144 S HN 0.462 nan 8.310 nan 0.000 0.457 145 N N 0.845 119.599 118.700 0.091 0.000 2.244 145 N HA 0.001 4.730 4.740 -0.018 0.000 0.183 145 N C 1.363 176.894 175.510 0.036 0.000 1.016 145 N CA 0.786 53.853 53.050 0.029 0.000 0.866 145 N CB -0.393 38.099 38.487 0.008 0.000 0.980 145 N HN 0.390 nan 8.380 nan 0.000 0.430 146 F N 0.825 120.718 119.950 -0.095 0.000 2.051 146 F HA -0.217 4.299 4.527 -0.018 0.000 0.296 146 F C 2.270 177.970 175.800 -0.167 0.000 1.122 146 F CA 1.150 59.074 58.000 -0.127 0.000 1.201 146 F CB -0.943 37.935 39.000 -0.205 0.000 0.978 146 F HN 0.079 nan 8.300 nan 0.000 0.472 147 Y N 0.885 120.915 120.300 -0.450 0.000 2.228 147 Y HA -0.261 4.279 4.550 -0.016 0.000 0.285 147 Y C 1.911 177.638 175.900 -0.289 0.000 1.178 147 Y CA 2.026 59.869 58.100 -0.428 0.000 1.202 147 Y CB -0.738 37.618 38.460 -0.173 0.000 0.974 147 Y HN 0.224 nan 8.280 nan 0.000 0.527 148 L N -0.286 120.706 121.223 -0.385 0.000 2.095 148 L HA -0.135 4.194 4.340 -0.018 0.000 0.204 148 L C 2.344 179.011 176.870 -0.339 0.000 1.080 148 L CA 1.231 55.827 54.840 -0.407 0.000 0.759 148 L CB -0.418 41.531 42.059 -0.184 0.000 0.914 148 L HN 0.004 nan 8.230 nan 0.000 0.439 149 K N -0.404 119.837 120.400 -0.265 0.000 2.362 149 K HA -0.077 4.232 4.320 -0.018 0.000 0.200 149 K C 1.904 178.359 176.600 -0.243 0.000 1.046 149 K CA 0.724 56.898 56.287 -0.188 0.000 0.952 149 K CB 0.020 32.459 32.500 -0.102 0.000 0.753 149 K HN 0.163 nan 8.250 nan 0.000 0.466 150 V N 1.459 121.123 119.914 -0.416 0.000 2.331 150 V HA -0.161 3.948 4.120 -0.018 0.000 0.242 150 V C 2.105 178.054 176.094 -0.242 0.000 1.034 150 V CA 1.199 63.267 62.300 -0.386 0.000 1.027 150 V CB -0.327 31.158 31.823 -0.563 0.000 0.667 150 V HN 0.235 nan 8.190 nan 0.000 0.457 151 L N -0.579 120.440 121.223 -0.340 0.000 2.263 151 L HA -0.210 4.119 4.340 -0.018 0.000 0.216 151 L C 2.297 179.260 176.870 0.155 0.000 1.111 151 L CA 1.048 55.808 54.840 -0.133 0.000 0.773 151 L CB -0.409 41.275 42.059 -0.625 0.000 0.906 151 L HN 0.321 nan 8.230 nan 0.000 0.439 152 L N -1.523 119.696 121.223 -0.007 0.000 2.209 152 L HA -0.024 4.305 4.340 -0.018 0.000 0.207 152 L C 2.377 179.312 176.870 0.108 0.000 1.094 152 L CA 1.356 56.253 54.840 0.095 0.000 0.790 152 L CB -0.116 41.935 42.059 -0.013 0.000 0.932 152 L HN 0.038 nan 8.230 nan 0.000 0.447 153 S N -1.140 114.578 115.700 0.030 0.000 2.528 153 S HA 0.137 4.596 4.470 -0.018 0.000 0.219 153 S C 1.857 176.466 174.600 0.016 0.000 0.985 153 S CA 0.339 58.554 58.200 0.026 0.000 0.914 153 S CB 0.100 63.304 63.200 0.005 0.000 0.776 153 S HN 0.291 nan 8.310 nan 0.000 0.526 154 I N 1.310 121.891 120.570 0.017 0.000 2.296 154 I HA -0.002 4.157 4.170 -0.018 0.000 0.242 154 I C 2.674 178.779 176.117 -0.021 0.000 1.087 154 I CA 0.903 62.169 61.300 -0.056 0.000 1.393 154 I CB -0.640 37.275 38.000 -0.142 0.000 1.093 154 I HN 0.365 nan 8.210 nan 0.000 0.421 155 G N 0.160 109.066 108.800 0.176 0.000 2.432 155 G HA2 -0.332 3.617 3.960 -0.018 0.000 0.219 155 G HA3 -0.332 3.617 3.960 -0.018 0.000 0.219 155 G C 1.257 176.229 174.900 0.120 0.000 1.135 155 G CA 1.196 46.418 45.100 0.203 0.000 0.767 155 G HN 0.334 nan 8.290 nan 0.000 0.550 156 D N 0.637 121.104 120.400 0.111 0.000 2.144 156 D HA -0.015 4.614 4.640 -0.018 0.000 0.199 156 D C 2.658 178.956 176.300 -0.003 0.000 0.984 156 D CA 1.783 55.823 54.000 0.066 0.000 0.834 156 D CB -0.159 40.678 40.800 0.062 0.000 0.955 156 D HN 0.406 nan 8.370 nan 0.000 0.465 157 E N -0.056 120.120 120.200 -0.040 0.000 2.107 157 E HA -0.050 4.289 4.350 -0.018 0.000 0.191 157 E C 2.160 178.668 176.600 -0.154 0.000 0.982 157 E CA 1.121 57.475 56.400 -0.076 0.000 0.809 157 E CB -1.085 28.576 29.700 -0.066 0.000 0.756 157 E HN 0.287 nan 8.360 nan 0.000 0.459 158 I N 0.191 120.598 120.570 -0.272 0.000 3.111 158 I HA 0.564 4.723 4.170 -0.018 0.000 0.272 158 I C 1.570 177.443 176.117 -0.406 0.000 1.268 158 I CA 0.352 61.370 61.300 -0.469 0.000 1.467 158 I CB -1.044 36.406 38.000 -0.917 0.000 1.087 158 I HN 0.667 nan 8.210 nan 0.000 0.467 159 A N 0.648 123.352 122.820 -0.193 0.000 2.492 159 A HA 0.389 4.698 4.320 -0.018 0.000 0.236 159 A C 0.717 178.276 177.584 -0.043 0.000 1.078 159 A CA 0.628 52.648 52.037 -0.028 0.000 0.773 159 A CB -0.473 18.558 19.000 0.052 0.000 1.023 159 A HN 0.950 nan 8.150 nan 0.000 0.504 160 D N -0.327 120.077 120.400 0.007 0.000 2.772 160 D HA 0.481 5.110 4.640 -0.018 0.000 0.326 160 D C 0.211 176.519 176.300 0.014 0.000 1.207 160 D CA 0.429 54.426 54.000 -0.005 0.000 0.777 160 D CB 0.419 41.212 40.800 -0.013 0.000 1.169 160 D HN 0.674 nan 8.370 nan 0.000 0.506 161 S N -0.960 114.749 115.700 0.016 0.000 2.559 161 S HA 0.471 4.930 4.470 -0.018 0.000 0.226 161 S C 0.870 175.476 174.600 0.011 0.000 1.000 161 S CA 0.649 58.861 58.200 0.019 0.000 0.948 161 S CB -0.432 62.785 63.200 0.028 0.000 0.870 161 S HN 1.218 nan 8.310 nan 0.000 0.497 162 L N 0.856 122.081 121.223 0.004 0.000 2.334 162 L HA 0.993 5.322 4.340 -0.018 0.000 0.277 162 L C 1.742 178.611 176.870 -0.001 0.000 1.075 162 L CA 0.169 55.010 54.840 0.001 0.000 0.804 162 L CB -0.509 41.547 42.059 -0.004 0.000 1.174 162 L HN 0.231 nan 8.230 nan 0.000 0.438 163 V N 2.536 122.450 119.914 -0.000 0.000 3.041 163 V HA 0.301 4.410 4.120 -0.018 0.000 0.260 163 V C 1.694 177.785 176.094 -0.005 0.000 1.105 163 V CA 1.937 64.237 62.300 -0.001 0.000 1.125 163 V CB -1.041 30.783 31.823 0.001 0.000 0.730 163 V HN 1.870 nan 8.190 nan 0.000 0.479 164 L N 0.960 122.180 121.223 -0.006 0.000 2.416 164 L HA 0.756 5.085 4.340 -0.018 0.000 0.243 164 L C 0.760 177.622 176.870 -0.013 0.000 1.373 164 L CA 0.459 55.294 54.840 -0.009 0.000 1.227 164 L CB -2.287 39.768 42.059 -0.008 0.000 1.428 164 L HN 0.715 nan 8.230 nan 0.000 0.425 165 K N 0.097 120.488 120.400 -0.015 0.000 2.132 165 K HA 0.882 5.191 4.320 -0.018 0.000 0.241 165 K C 0.247 176.834 176.600 -0.021 0.000 1.000 165 K CA 0.085 56.360 56.287 -0.020 0.000 0.911 165 K CB 1.057 33.545 32.500 -0.020 0.000 1.093 165 K HN 0.636 nan 8.250 nan 0.000 0.460 166 T N -0.431 114.108 114.554 -0.026 0.000 2.909 166 T HA 0.488 4.827 4.350 -0.018 0.000 0.299 166 T C 1.118 175.801 174.700 -0.028 0.000 1.073 166 T CA 0.194 62.279 62.100 -0.024 0.000 0.999 166 T CB 1.512 70.364 68.868 -0.026 0.000 1.098 166 T HN 0.768 nan 8.240 nan 0.000 0.477 167 D N 0.936 121.321 120.400 -0.025 0.000 2.264 167 D HA -0.023 4.606 4.640 -0.018 0.000 0.208 167 D C 1.920 178.201 176.300 -0.032 0.000 0.966 167 D CA 1.224 55.208 54.000 -0.026 0.000 0.864 167 D CB -0.213 40.574 40.800 -0.021 0.000 0.933 167 D HN 0.364 nan 8.370 nan 0.000 0.499 168 V N 0.231 120.126 119.914 -0.032 0.000 2.302 168 V HA 0.043 4.152 4.120 -0.018 0.000 0.243 168 V C 3.282 179.349 176.094 -0.046 0.000 1.036 168 V CA 2.190 64.469 62.300 -0.036 0.000 1.020 168 V CB -0.767 31.037 31.823 -0.031 0.000 0.657 168 V HN 0.707 nan 8.190 nan 0.000 0.453 169 Q N -0.668 119.104 119.800 -0.048 0.000 2.472 169 Q HA 0.069 4.398 4.340 -0.018 0.000 0.208 169 Q C 1.894 177.850 176.000 -0.074 0.000 0.958 169 Q CA 1.324 57.091 55.803 -0.061 0.000 0.932 169 Q CB -0.653 28.052 28.738 -0.055 0.000 1.007 169 Q HN 0.752 nan 8.270 nan 0.000 0.508 170 I N -0.387 120.144 120.570 -0.064 0.000 2.400 170 I HA -0.145 4.014 4.170 -0.018 0.000 0.248 170 I C 3.184 179.255 176.117 -0.076 0.000 1.109 170 I CA 1.294 62.551 61.300 -0.071 0.000 1.425 170 I CB -0.189 37.780 38.000 -0.052 0.000 1.094 170 I HN 0.555 nan 8.210 nan 0.000 0.425 171 Q N 1.274 121.037 119.800 -0.062 0.000 2.123 171 Q HA -0.175 4.154 4.340 -0.018 0.000 0.199 171 Q C 2.408 178.366 176.000 -0.070 0.000 0.966 171 Q CA 1.974 57.742 55.803 -0.059 0.000 0.845 171 Q CB -0.956 27.755 28.738 -0.045 0.000 0.907 171 Q HN 0.592 nan 8.270 nan 0.000 0.439 172 K N 1.293 121.649 120.400 -0.073 0.000 2.031 172 K HA -0.113 4.196 4.320 -0.018 0.000 0.205 172 K C 1.989 178.522 176.600 -0.111 0.000 1.049 172 K CA 1.509 57.747 56.287 -0.081 0.000 0.939 172 K CB -0.828 31.628 32.500 -0.074 0.000 0.717 172 K HN 0.587 nan 8.250 nan 0.000 0.438 173 D N 0.833 121.154 120.400 -0.131 0.000 2.144 173 D HA -0.117 4.512 4.640 -0.018 0.000 0.199 173 D C 1.750 177.917 176.300 -0.222 0.000 0.984 173 D CA 1.029 54.913 54.000 -0.193 0.000 0.834 173 D CB -0.204 40.476 40.800 -0.201 0.000 0.955 173 D HN 0.372 nan 8.370 nan 0.000 0.465 174 N N 0.282 118.884 118.700 -0.163 0.000 2.166 174 N HA -0.061 4.668 4.740 -0.018 0.000 0.186 174 N C 1.963 177.399 175.510 -0.122 0.000 1.019 174 N CA 0.380 53.343 53.050 -0.145 0.000 0.856 174 N CB -0.270 38.162 38.487 -0.093 0.000 0.993 174 N HN 0.256 nan 8.380 nan 0.000 0.426 175 L N 0.068 121.232 121.223 -0.098 0.000 2.141 175 L HA -0.083 4.246 4.340 -0.018 0.000 0.209 175 L C 2.066 178.901 176.870 -0.058 0.000 1.094 175 L CA 0.576 55.377 54.840 -0.066 0.000 0.763 175 L CB -0.339 41.687 42.059 -0.055 0.000 0.908 175 L HN -0.019 nan 8.230 nan 0.000 0.437 176 V N 0.150 120.000 119.914 -0.106 0.000 2.307 176 V HA -0.251 3.858 4.120 -0.018 0.000 0.245 176 V C 2.417 178.431 176.094 -0.134 0.000 1.045 176 V CA 1.751 63.990 62.300 -0.103 0.000 1.024 176 V CB -0.625 31.097 31.823 -0.169 0.000 0.651 176 V HN 0.470 nan 8.190 nan 0.000 0.449 177 K N 0.158 120.390 120.400 -0.279 0.000 2.002 177 K HA -0.166 4.143 4.320 -0.018 0.000 0.209 177 K C 1.939 178.494 176.600 -0.075 0.000 1.048 177 K CA 1.684 57.769 56.287 -0.338 0.000 0.930 177 K CB -0.480 31.709 32.500 -0.519 0.000 0.714 177 K HN 0.376 nan 8.250 nan 0.000 0.438 178 D N 1.168 121.538 120.400 -0.050 0.000 2.133 178 D HA -0.166 4.463 4.640 -0.018 0.000 0.195 178 D C 1.976 178.314 176.300 0.064 0.000 0.997 178 D CA 1.535 55.542 54.000 0.012 0.000 0.840 178 D CB -0.146 40.652 40.800 -0.003 0.000 0.947 178 D HN 0.288 nan 8.370 nan 0.000 0.452 179 A N 0.829 123.704 122.820 0.092 0.000 1.933 179 A HA -0.118 4.191 4.320 -0.018 0.000 0.218 179 A C 2.370 180.155 177.584 0.336 0.000 1.175 179 A CA 0.777 52.934 52.037 0.200 0.000 0.628 179 A CB -0.538 18.631 19.000 0.282 0.000 0.814 179 A HN 0.192 nan 8.150 nan 0.000 0.444 180 I N -1.182 119.570 120.570 0.302 0.000 2.353 180 I HA -0.196 3.963 4.170 -0.018 0.000 0.248 180 I C 2.721 178.965 176.117 0.212 0.000 1.119 180 I CA 0.861 62.345 61.300 0.307 0.000 1.417 180 I CB -0.429 37.646 38.000 0.125 0.000 1.078 180 I HN 0.324 nan 8.210 nan 0.000 0.421 181 R N 1.009 121.606 120.500 0.161 0.000 2.083 181 R HA -0.146 4.183 4.340 -0.018 0.000 0.237 181 R C 2.380 178.748 176.300 0.113 0.000 1.137 181 R CA 1.773 57.952 56.100 0.131 0.000 0.951 181 R CB -0.411 29.953 30.300 0.107 0.000 0.851 181 R HN 0.334 nan 8.270 nan 0.000 0.434 182 A N 0.956 123.841 122.820 0.109 0.000 2.016 182 A HA -0.058 4.251 4.320 -0.018 0.000 0.217 182 A C 1.521 179.164 177.584 0.098 0.000 1.162 182 A CA 0.983 53.072 52.037 0.088 0.000 0.662 182 A CB -0.059 18.981 19.000 0.066 0.000 0.812 182 A HN 0.269 nan 8.150 nan 0.000 0.450 183 N N -0.526 118.260 118.700 0.143 0.000 2.508 183 N HA 0.009 4.738 4.740 -0.018 0.000 0.186 183 N C 0.390 176.009 175.510 0.181 0.000 1.034 183 N CA 1.151 54.288 53.050 0.146 0.000 0.885 183 N CB 0.054 38.613 38.487 0.120 0.000 1.135 183 N HN 0.432 nan 8.380 nan 0.000 0.435 184 D N -0.163 120.381 120.400 0.241 0.000 2.489 184 D HA 0.079 4.707 4.640 -0.018 0.000 0.231 184 D C 1.585 177.919 176.300 0.057 0.000 1.114 184 D CA -0.068 54.042 54.000 0.184 0.000 0.842 184 D CB 0.526 41.519 40.800 0.323 0.000 1.133 184 D HN -0.054 nan 8.370 nan 0.000 0.506 185 M N 1.640 121.286 119.600 0.077 0.000 2.108 185 M HA -0.194 4.275 4.480 -0.018 0.000 0.257 185 M C 2.078 178.407 176.300 0.048 0.000 1.071 185 M CA 1.407 56.748 55.300 0.067 0.000 1.093 185 M CB -0.551 32.118 32.600 0.115 0.000 1.345 185 M HN -0.099 nan 8.290 nan 0.000 0.403 186 S N -0.572 115.162 115.700 0.056 0.000 2.399 186 S HA -0.148 4.311 4.470 -0.018 0.000 0.231 186 S C 1.488 176.120 174.600 0.054 0.000 1.022 186 S CA 1.772 60.001 58.200 0.049 0.000 0.983 186 S CB -0.490 62.739 63.200 0.049 0.000 0.803 186 S HN 0.619 nan 8.310 nan 0.000 0.480 187 D N 0.966 121.402 120.400 0.060 0.000 2.183 187 D HA 0.111 4.740 4.640 -0.018 0.000 0.205 187 D C 1.906 178.271 176.300 0.107 0.000 0.962 187 D CA 0.670 54.719 54.000 0.082 0.000 0.849 187 D CB -0.359 40.485 40.800 0.074 0.000 0.978 187 D HN 0.452 nan 8.370 nan 0.000 0.488 188 I N 0.713 121.308 120.570 0.042 0.000 2.118 188 I HA -0.264 3.895 4.170 -0.018 0.000 0.241 188 I C 2.438 178.603 176.117 0.080 0.000 1.070 188 I CA 0.865 62.186 61.300 0.036 0.000 1.327 188 I CB -0.432 37.472 38.000 -0.159 0.000 1.034 188 I HN -0.118 nan 8.210 nan 0.000 0.405 189 V N 0.069 119.990 119.914 0.011 0.000 2.332 189 V HA -0.318 3.791 4.120 -0.018 0.000 0.248 189 V C 2.640 178.830 176.094 0.161 0.000 1.055 189 V CA 2.325 64.636 62.300 0.019 0.000 1.038 189 V CB -0.566 31.251 31.823 -0.011 0.000 0.651 189 V HN 0.492 nan 8.190 nan 0.000 0.450 190 S N -0.868 114.922 115.700 0.151 0.000 2.368 190 S HA -0.179 4.280 4.470 -0.018 0.000 0.224 190 S C 1.914 176.664 174.600 0.250 0.000 1.029 190 S CA 1.620 59.919 58.200 0.165 0.000 0.988 190 S CB -0.400 62.869 63.200 0.114 0.000 0.838 190 S HN 0.549 nan 8.310 nan 0.000 0.462 191 F N 2.357 122.369 119.950 0.102 0.000 2.102 191 F HA -0.054 4.463 4.527 -0.017 0.000 0.298 191 F C 2.116 178.002 175.800 0.144 0.000 1.105 191 F CA 1.567 59.629 58.000 0.104 0.000 1.239 191 F CB -0.827 38.219 39.000 0.077 0.000 0.991 191 F HN 0.055 nan 8.300 nan 0.000 0.474 192 V N 0.052 120.081 119.914 0.192 0.000 2.231 192 V HA -0.373 3.736 4.120 -0.018 0.000 0.248 192 V C 2.207 178.360 176.094 0.098 0.000 1.054 192 V CA 2.403 64.763 62.300 0.100 0.000 1.015 192 V CB -1.408 30.507 31.823 0.153 0.000 0.638 192 V HN 0.582 nan 8.190 nan 0.000 0.444 193 Y N 0.964 121.329 120.300 0.108 0.000 2.102 193 Y HA -0.296 4.243 4.550 -0.019 0.000 0.280 193 Y C 2.663 178.540 175.900 -0.038 0.000 1.178 193 Y CA 2.219 60.347 58.100 0.047 0.000 1.146 193 Y CB -0.174 38.322 38.460 0.061 0.000 0.968 193 Y HN 0.237 nan 8.280 nan 0.000 0.504 194 E N 0.719 121.040 120.200 0.201 0.000 2.035 194 E HA -0.295 4.043 4.350 -0.018 0.000 0.204 194 E C 2.325 178.791 176.600 -0.224 0.000 1.025 194 E CA 2.343 58.764 56.400 0.034 0.000 0.835 194 E CB -0.788 28.904 29.700 -0.013 0.000 0.764 194 E HN 0.811 nan 8.360 nan 0.000 0.457 195 M N -1.030 118.356 119.600 -0.357 0.000 2.296 195 M HA -0.012 4.456 4.480 -0.018 0.000 0.265 195 M C 2.409 178.573 176.300 -0.226 0.000 1.064 195 M CA 1.446 56.480 55.300 -0.443 0.000 1.109 195 M CB -0.476 31.855 32.600 -0.448 0.000 1.396 195 M HN 0.001 nan 8.290 nan 0.000 0.430 196 M N 1.345 120.861 119.600 -0.140 0.000 2.108 196 M HA -0.168 4.301 4.480 -0.018 0.000 0.261 196 M C 2.073 178.326 176.300 -0.080 0.000 1.066 196 M CA 1.696 56.967 55.300 -0.048 0.000 1.107 196 M CB -0.164 32.378 32.600 -0.097 0.000 1.356 196 M HN 0.448 nan 8.290 nan 0.000 0.406 197 L N 0.491 121.545 121.223 -0.282 0.000 2.005 197 L HA 0.009 4.338 4.340 -0.018 0.000 0.207 197 L C 2.388 179.168 176.870 -0.150 0.000 1.072 197 L CA 2.212 56.912 54.840 -0.233 0.000 0.744 197 L CB -1.349 40.514 42.059 -0.327 0.000 0.895 197 L HN 0.305 nan 8.230 nan 0.000 0.433 198 A N -0.726 121.957 122.820 -0.228 0.000 1.842 198 A HA -0.305 4.004 4.320 -0.018 0.000 0.217 198 A C 2.258 179.715 177.584 -0.210 0.000 1.206 198 A CA 2.278 54.152 52.037 -0.271 0.000 0.630 198 A CB -1.587 17.130 19.000 -0.470 0.000 0.839 198 A HN 0.604 nan 8.150 nan 0.000 0.447 199 Y N 0.324 120.546 120.300 -0.130 0.000 2.193 199 Y HA -0.262 4.276 4.550 -0.020 0.000 0.285 199 Y C 3.218 178.981 175.900 -0.229 0.000 1.166 199 Y CA 1.333 59.337 58.100 -0.160 0.000 1.181 199 Y CB -0.245 38.125 38.460 -0.151 0.000 0.976 199 Y HN 0.488 nan 8.280 nan 0.000 0.520 200 S N 0.740 116.411 115.700 -0.048 0.000 2.365 200 S HA -0.232 4.227 4.470 -0.018 0.000 0.225 200 S C 1.768 176.268 174.600 -0.167 0.000 1.039 200 S CA 1.948 60.061 58.200 -0.144 0.000 1.033 200 S CB -0.369 62.891 63.200 0.099 0.000 0.887 200 S HN 0.468 nan 8.310 nan 0.000 0.447 201 N N 1.869 120.513 118.700 -0.093 0.000 2.409 201 N HA 0.153 4.882 4.740 -0.018 0.000 0.179 201 N C 1.557 177.008 175.510 -0.098 0.000 1.032 201 N CA 1.019 54.019 53.050 -0.083 0.000 0.898 201 N CB -0.772 37.682 38.487 -0.055 0.000 0.971 201 N HN 0.586 nan 8.380 nan 0.000 0.441 202 A N 0.889 123.655 122.820 -0.090 0.000 2.239 202 A HA -0.006 4.303 4.320 -0.018 0.000 0.209 202 A C 0.712 178.223 177.584 -0.121 0.000 1.171 202 A CA 0.137 52.139 52.037 -0.058 0.000 0.768 202 A CB -0.364 18.665 19.000 0.048 0.000 0.790 202 A HN 0.148 nan 8.150 nan 0.000 0.478 203 K N -0.288 119.967 120.400 -0.242 0.000 3.012 203 K HA -0.186 4.123 4.320 -0.018 0.000 0.259 203 K C -0.799 175.593 176.600 -0.346 0.000 0.989 203 K CA 1.020 57.090 56.287 -0.360 0.000 0.728 203 K CB -1.517 30.891 32.500 -0.152 0.000 1.260 203 K HN 0.932 nan 8.250 nan 0.000 0.480 204 N N -0.853 117.630 118.700 -0.362 0.000 2.791 204 N HA 0.092 4.821 4.740 -0.018 0.000 0.265 204 N C 0.152 175.518 175.510 -0.240 0.000 1.580 204 N CA -0.674 52.248 53.050 -0.214 0.000 0.809 204 N CB -0.227 38.181 38.487 -0.132 0.000 1.178 204 N HN 0.037 nan 8.380 nan 0.000 0.499 205 Y N 0.436 120.651 120.300 -0.141 0.000 2.446 205 Y HA -0.091 4.448 4.550 -0.018 0.000 0.287 205 Y C 2.331 178.118 175.900 -0.188 0.000 1.159 205 Y CA 1.314 59.298 58.100 -0.193 0.000 1.297 205 Y CB -0.309 38.034 38.460 -0.196 0.000 0.974 205 Y HN 0.537 nan 8.280 nan 0.000 0.557 206 G N -0.398 108.378 108.800 -0.040 0.000 2.491 206 G HA2 -0.290 3.659 3.960 -0.018 0.000 0.218 206 G HA3 -0.290 3.659 3.960 -0.018 0.000 0.218 206 G C 1.786 176.599 174.900 -0.145 0.000 1.180 206 G CA 1.736 46.786 45.100 -0.084 0.000 0.774 206 G HN 0.335 nan 8.290 nan 0.000 0.562 207 T N 0.876 115.272 114.554 -0.263 0.000 2.746 207 T HA -0.110 4.229 4.350 -0.018 0.000 0.267 207 T C 2.630 177.218 174.700 -0.187 0.000 1.039 207 T CA 1.437 63.333 62.100 -0.342 0.000 1.142 207 T CB -0.307 68.034 68.868 -0.878 0.000 0.866 207 T HN 0.104 nan 8.240 nan 0.000 0.444 208 V N 1.467 121.288 119.914 -0.156 0.000 2.469 208 V HA -0.091 4.018 4.120 -0.018 0.000 0.251 208 V C 2.850 178.889 176.094 -0.091 0.000 1.064 208 V CA 1.780 64.021 62.300 -0.098 0.000 1.066 208 V CB -1.526 30.166 31.823 -0.218 0.000 0.667 208 V HN 0.566 nan 8.190 nan 0.000 0.461 209 G N -0.264 108.478 108.800 -0.097 0.000 2.448 209 G HA2 -0.166 3.783 3.960 -0.018 0.000 0.219 209 G HA3 -0.166 3.783 3.960 -0.018 0.000 0.219 209 G C 1.591 176.465 174.900 -0.044 0.000 1.127 209 G CA 0.640 45.699 45.100 -0.068 0.000 0.766 209 G HN 0.482 nan 8.290 nan 0.000 0.552 210 L N -0.003 121.187 121.223 -0.054 0.000 2.156 210 L HA -0.048 4.281 4.340 -0.018 0.000 0.208 210 L C 2.838 179.684 176.870 -0.041 0.000 1.095 210 L CA 0.412 55.220 54.840 -0.052 0.000 0.770 210 L CB -0.193 41.825 42.059 -0.068 0.000 0.914 210 L HN 0.258 nan 8.230 nan 0.000 0.439 211 C N -0.460 118.834 119.300 -0.011 0.000 2.440 211 C HA -0.113 4.335 4.460 -0.018 0.000 0.278 211 C C 2.618 177.669 174.990 0.101 0.000 1.295 211 C CA 0.306 59.349 59.018 0.042 0.000 1.738 211 C CB -0.746 27.037 27.740 0.072 0.000 1.987 211 C HN 0.433 nan 8.230 nan 0.000 0.492 212 L N 0.284 121.548 121.223 0.068 0.000 2.109 212 L HA -0.149 4.180 4.340 -0.018 0.000 0.207 212 L C 2.895 179.807 176.870 0.070 0.000 1.086 212 L CA 1.144 56.035 54.840 0.084 0.000 0.760 212 L CB -0.691 41.403 42.059 0.059 0.000 0.910 212 L HN 0.331 nan 8.230 nan 0.000 0.437 213 Q N -0.178 119.637 119.800 0.024 0.000 2.030 213 Q HA -0.176 4.153 4.340 -0.018 0.000 0.204 213 Q C 2.431 178.435 176.000 0.008 0.000 0.986 213 Q CA 1.644 57.454 55.803 0.012 0.000 0.843 213 Q CB -0.600 28.133 28.738 -0.010 0.000 0.904 213 Q HN 0.381 nan 8.270 nan 0.000 0.420 214 V N 0.085 119.967 119.914 -0.052 0.000 2.261 214 V HA -0.273 3.836 4.120 -0.018 0.000 0.246 214 V C 2.070 178.058 176.094 -0.177 0.000 1.047 214 V CA 1.772 63.957 62.300 -0.192 0.000 1.015 214 V CB -0.916 30.659 31.823 -0.415 0.000 0.642 214 V HN 0.231 nan 8.190 nan 0.000 0.446 215 Y N 0.956 121.155 120.300 -0.169 0.000 2.030 215 Y HA -0.382 4.157 4.550 -0.019 0.000 0.272 215 Y C 2.569 178.429 175.900 -0.067 0.000 1.185 215 Y CA 2.438 60.471 58.100 -0.113 0.000 1.120 215 Y CB -0.790 37.636 38.460 -0.056 0.000 0.955 215 Y HN 0.191 nan 8.280 nan 0.000 0.495 216 A N -0.701 122.198 122.820 0.133 0.000 1.978 216 A HA -0.284 4.025 4.320 -0.018 0.000 0.220 216 A C 2.172 179.771 177.584 0.025 0.000 1.170 216 A CA 1.918 53.998 52.037 0.073 0.000 0.636 216 A CB -0.780 18.261 19.000 0.067 0.000 0.810 216 A HN 0.659 nan 8.150 nan 0.000 0.448 217 Q N -1.858 117.968 119.800 0.044 0.000 2.096 217 Q HA -0.161 4.168 4.340 -0.018 0.000 0.197 217 Q C 1.423 177.353 176.000 -0.118 0.000 0.964 217 Q CA 1.368 57.217 55.803 0.076 0.000 0.838 217 Q CB -0.147 28.718 28.738 0.212 0.000 0.906 217 Q HN 0.779 nan 8.270 nan 0.000 0.444 218 W N -0.089 120.835 121.300 -0.627 0.000 3.180 218 W HA 0.092 4.740 4.660 -0.019 0.000 0.254 218 W C 1.749 177.681 176.519 -0.978 0.000 1.318 218 W CA -0.266 56.329 57.345 -1.250 0.000 1.608 218 W CB -0.196 28.689 29.460 -0.959 0.000 1.124 218 W HN 0.010 nan 8.180 nan 0.000 0.694 219 V N 0.027 119.751 119.914 -0.317 0.000 2.324 219 V HA -0.368 3.741 4.120 -0.018 0.000 0.250 219 V C 2.278 178.261 176.094 -0.185 0.000 1.060 219 V CA 2.337 64.522 62.300 -0.193 0.000 1.042 219 V CB -1.088 30.701 31.823 -0.056 0.000 0.650 219 V HN 0.087 nan 8.190 nan 0.000 0.450 220 S N -0.216 115.379 115.700 -0.174 0.000 2.378 220 S HA -0.252 4.206 4.470 -0.018 0.000 0.221 220 S C 1.218 175.845 174.600 0.046 0.000 1.037 220 S CA 2.116 60.309 58.200 -0.012 0.000 1.069 220 S CB -0.576 62.697 63.200 0.122 0.000 1.006 220 S HN 0.947 nan 8.310 nan 0.000 0.423 221 W N 1.560 122.818 121.300 -0.070 0.000 3.433 221 W HA 0.602 5.250 4.660 -0.020 0.000 0.376 221 W C -0.439 176.047 176.519 -0.054 0.000 1.160 221 W CA -0.761 56.532 57.345 -0.087 0.000 1.832 221 W CB -0.761 28.599 29.460 -0.165 0.000 1.011 221 W HN -0.029 nan 8.180 nan 0.000 0.766 222 I N 3.161 123.650 120.570 -0.135 0.000 2.385 222 I HA 0.096 4.255 4.170 -0.018 0.000 0.294 222 I C 0.255 176.369 176.117 -0.004 0.000 0.988 222 I CA -0.978 60.267 61.300 -0.090 0.000 1.265 222 I CB 0.694 38.597 38.000 -0.161 0.000 1.388 222 I HN -0.031 nan 8.210 nan 0.000 0.480 223 N N 6.843 125.559 118.700 0.028 0.000 2.412 223 N HA 0.019 4.748 4.740 -0.018 0.000 0.258 223 N C 1.129 176.651 175.510 0.019 0.000 1.236 223 N CA 0.263 53.333 53.050 0.033 0.000 0.882 223 N CB 1.066 39.577 38.487 0.040 0.000 1.066 223 N HN 0.532 nan 8.380 nan 0.000 0.465 224 I N 1.432 122.014 120.570 0.021 0.000 2.127 224 I HA -0.330 3.829 4.170 -0.018 0.000 0.241 224 I C 1.695 177.822 176.117 0.016 0.000 1.075 224 I CA 1.081 62.391 61.300 0.017 0.000 1.334 224 I CB -0.295 37.715 38.000 0.017 0.000 1.040 224 I HN 0.458 nan 8.210 nan 0.000 0.405 225 N N 1.141 119.850 118.700 0.015 0.000 2.247 225 N HA -0.178 4.551 4.740 -0.018 0.000 0.189 225 N C 1.832 177.347 175.510 0.010 0.000 1.009 225 N CA 1.367 54.424 53.050 0.011 0.000 0.872 225 N CB -0.299 38.195 38.487 0.011 0.000 0.980 225 N HN 0.437 nan 8.380 nan 0.000 0.436 226 L N -0.009 121.223 121.223 0.015 0.000 2.418 226 L HA 0.123 4.452 4.340 -0.018 0.000 0.218 226 L C 1.887 178.778 176.870 0.036 0.000 1.125 226 L CA 0.327 55.178 54.840 0.018 0.000 0.835 226 L CB 0.108 42.177 42.059 0.017 0.000 0.953 226 L HN 0.051 nan 8.230 nan 0.000 0.454 227 I N -0.566 120.027 120.570 0.038 0.000 4.018 227 I HA -0.061 4.098 4.170 -0.018 0.000 0.337 227 I C 1.808 177.956 176.117 0.052 0.000 1.327 227 I CA 0.084 61.426 61.300 0.071 0.000 1.100 227 I CB 0.697 38.735 38.000 0.062 0.000 1.025 227 I HN 0.050 nan 8.210 nan 0.000 0.396 228 V N -1.559 118.370 119.914 0.025 0.000 3.052 228 V HA 0.025 4.134 4.120 -0.018 0.000 0.254 228 V C 1.086 177.181 176.094 0.000 0.000 1.100 228 V CA 0.305 62.612 62.300 0.012 0.000 1.112 228 V CB -1.429 30.396 31.823 0.004 0.000 0.738 228 V HN 0.594 nan 8.190 nan 0.000 0.469 229 N N 1.744 120.439 118.700 -0.008 0.000 2.232 229 N HA -0.162 4.567 4.740 -0.018 0.000 0.251 229 N C 1.214 176.708 175.510 -0.027 0.000 1.242 229 N CA 0.994 54.023 53.050 -0.035 0.000 0.837 229 N CB 0.741 39.184 38.487 -0.073 0.000 1.079 229 N HN 0.567 nan 8.380 nan 0.000 0.461 230 E N 1.972 122.152 120.200 -0.034 0.000 2.102 230 E HA 0.005 4.344 4.350 -0.018 0.000 0.190 230 E C -1.132 175.460 176.600 -0.014 0.000 0.971 230 E CA 0.552 56.938 56.400 -0.024 0.000 0.821 230 E CB -1.977 27.706 29.700 -0.028 0.000 0.777 230 E HN 0.834 nan 8.360 nan 0.000 0.460 231 P HA -0.152 nan 4.420 nan 0.000 0.218 231 P C 1.800 179.191 177.300 0.152 0.000 1.146 231 P CA 1.582 64.702 63.100 0.034 0.000 0.813 231 P CB -0.473 31.218 31.700 -0.015 0.000 0.778 232 C N -1.566 117.813 119.300 0.133 0.000 2.467 232 C HA 0.063 4.512 4.460 -0.018 0.000 0.279 232 C C 2.635 177.622 174.990 -0.004 0.000 1.347 232 C CA 0.290 59.434 59.018 0.210 0.000 1.748 232 C CB -1.670 26.170 27.740 0.166 0.000 1.977 232 C HN 0.065 nan 8.230 nan 0.000 0.501 233 M N 1.110 120.707 119.600 -0.005 0.000 2.098 233 M HA -0.057 4.411 4.480 -0.018 0.000 0.262 233 M C 1.975 178.263 176.300 -0.020 0.000 1.072 233 M CA 1.459 56.748 55.300 -0.019 0.000 1.133 233 M CB -1.737 30.857 32.600 -0.009 0.000 1.344 233 M HN 0.449 nan 8.290 nan 0.000 0.414 234 N N 0.694 119.385 118.700 -0.015 0.000 2.258 234 N HA -0.171 4.558 4.740 -0.018 0.000 0.187 234 N C 1.679 177.155 175.510 -0.057 0.000 1.012 234 N CA 1.056 54.102 53.050 -0.007 0.000 0.870 234 N CB -0.142 38.339 38.487 -0.009 0.000 0.977 234 N HN 0.178 nan 8.380 nan 0.000 0.434 235 L N 1.394 122.522 121.223 -0.159 0.000 2.034 235 L HA 0.014 4.343 4.340 -0.018 0.000 0.203 235 L C 2.184 178.576 176.870 -0.798 0.000 1.074 235 L CA 1.201 55.782 54.840 -0.433 0.000 0.748 235 L CB -0.881 40.893 42.059 -0.475 0.000 0.905 235 L HN 0.046 nan 8.230 nan 0.000 0.439 236 L N -1.618 119.229 121.223 -0.626 0.000 2.043 236 L HA -0.294 4.035 4.340 -0.018 0.000 0.212 236 L C 2.550 179.275 176.870 -0.241 0.000 1.075 236 L CA 1.742 56.262 54.840 -0.532 0.000 0.752 236 L CB -0.969 40.943 42.059 -0.244 0.000 0.891 236 L HN 0.319 nan 8.230 nan 0.000 0.432 237 Y N 1.125 121.313 120.300 -0.188 0.000 2.224 237 Y HA -0.300 4.239 4.550 -0.019 0.000 0.289 237 Y C 2.991 178.886 175.900 -0.009 0.000 1.146 237 Y CA 1.576 59.644 58.100 -0.053 0.000 1.182 237 Y CB -0.159 38.285 38.460 -0.027 0.000 0.983 237 Y HN 0.299 nan 8.280 nan 0.000 0.524 238 S N -0.645 115.060 115.700 0.010 0.000 2.382 238 S HA -0.239 4.220 4.470 -0.018 0.000 0.228 238 S C 1.922 176.627 174.600 0.175 0.000 1.027 238 S CA 1.269 59.511 58.200 0.070 0.000 0.991 238 S CB -1.565 61.669 63.200 0.056 0.000 0.823 238 S HN 0.542 nan 8.310 nan 0.000 0.469 239 F N 1.562 121.496 119.950 -0.026 0.000 2.583 239 F HA 0.099 4.615 4.527 -0.019 0.000 0.297 239 F C 1.879 177.634 175.800 -0.075 0.000 1.131 239 F CA 0.025 58.008 58.000 -0.029 0.000 1.467 239 F CB -0.399 38.581 39.000 -0.032 0.000 1.097 239 F HN 0.223 nan 8.300 nan 0.000 0.586 240 L N -0.445 120.808 121.223 0.052 0.000 2.156 240 L HA -0.186 4.143 4.340 -0.018 0.000 0.208 240 L C 2.090 178.946 176.870 -0.024 0.000 1.095 240 L CA 1.089 55.915 54.840 -0.022 0.000 0.770 240 L CB -0.595 41.313 42.059 -0.252 0.000 0.914 240 L HN 0.177 nan 8.230 nan 0.000 0.439 241 Q N -0.053 119.742 119.800 -0.009 0.000 2.472 241 Q HA 0.104 4.433 4.340 -0.018 0.000 0.208 241 Q C 0.196 176.162 176.000 -0.057 0.000 0.958 241 Q CA 0.414 56.210 55.803 -0.012 0.000 0.932 241 Q CB 0.325 29.087 28.738 0.039 0.000 1.007 241 Q HN 0.481 nan 8.270 nan 0.000 0.508 242 I N 0.768 121.295 120.570 -0.071 0.000 2.354 242 I HA 0.024 4.183 4.170 -0.018 0.000 0.292 242 I C 1.118 177.052 176.117 -0.305 0.000 0.989 242 I CA -0.438 60.750 61.300 -0.187 0.000 1.188 242 I CB 1.659 39.555 38.000 -0.173 0.000 1.342 242 I HN -0.046 nan 8.210 nan 0.000 0.457 243 E N 4.793 124.783 120.200 -0.351 0.000 2.038 243 E HA -0.243 4.096 4.350 -0.018 0.000 0.195 243 E C 1.469 177.865 176.600 -0.341 0.000 1.000 243 E CA 1.883 58.077 56.400 -0.344 0.000 0.803 243 E CB 0.116 29.646 29.700 -0.283 0.000 0.750 243 E HN 0.510 nan 8.360 nan 0.000 0.448 244 E N -0.143 119.785 120.200 -0.452 0.000 2.265 244 E HA -0.112 4.227 4.350 -0.018 0.000 0.196 244 E C 1.894 178.329 176.600 -0.276 0.000 0.996 244 E CA 0.914 57.087 56.400 -0.379 0.000 0.832 244 E CB -0.011 29.380 29.700 -0.515 0.000 0.756 244 E HN 0.422 nan 8.360 nan 0.000 0.491 245 L N -0.686 120.363 121.223 -0.291 0.000 2.731 245 L HA 0.208 4.537 4.340 -0.018 0.000 0.240 245 L C 2.259 179.078 176.870 -0.085 0.000 1.120 245 L CA -0.230 54.503 54.840 -0.178 0.000 0.913 245 L CB 0.121 42.026 42.059 -0.256 0.000 1.213 245 L HN -0.063 nan 8.230 nan 0.000 0.515 246 R N 0.232 120.657 120.500 -0.124 0.000 2.115 246 R HA -0.245 4.084 4.340 -0.018 0.000 0.239 246 R C 2.302 178.635 176.300 0.054 0.000 1.133 246 R CA 2.502 58.565 56.100 -0.062 0.000 0.935 246 R CB -0.526 29.593 30.300 -0.302 0.000 0.853 246 R HN 0.414 nan 8.270 nan 0.000 0.433 247 C N -0.566 118.725 119.300 -0.016 0.000 2.446 247 C HA -0.044 4.405 4.460 -0.018 0.000 0.277 247 C C 2.838 177.684 174.990 -0.238 0.000 1.275 247 C CA 0.522 59.436 59.018 -0.174 0.000 1.727 247 C CB -1.113 26.555 27.740 -0.120 0.000 2.010 247 C HN 0.655 nan 8.230 nan 0.000 0.486 248 A N 1.099 123.854 122.820 -0.109 0.000 1.834 248 A HA 0.013 4.322 4.320 -0.018 0.000 0.216 248 A C 2.449 180.021 177.584 -0.019 0.000 1.203 248 A CA 2.398 54.398 52.037 -0.061 0.000 0.621 248 A CB -1.403 17.578 19.000 -0.031 0.000 0.841 248 A HN 0.600 nan 8.150 nan 0.000 0.446 249 A N -1.375 121.472 122.820 0.045 0.000 1.971 249 A HA -0.292 4.017 4.320 -0.018 0.000 0.222 249 A C 2.405 180.003 177.584 0.023 0.000 1.182 249 A CA 2.122 54.214 52.037 0.092 0.000 0.649 249 A CB -1.456 17.648 19.000 0.173 0.000 0.818 249 A HN 0.731 nan 8.150 nan 0.000 0.458 250 C N -0.979 118.315 119.300 -0.011 0.000 2.508 250 C HA -0.040 4.409 4.460 -0.018 0.000 0.280 250 C C 2.624 177.587 174.990 -0.045 0.000 1.262 250 C CA 1.304 60.302 59.018 -0.033 0.000 1.706 250 C CB -1.221 26.493 27.740 -0.044 0.000 2.078 250 C HN 0.719 nan 8.230 nan 0.000 0.480 251 E N -0.495 119.640 120.200 -0.108 0.000 2.160 251 E HA -0.234 4.105 4.350 -0.018 0.000 0.195 251 E C 2.149 178.754 176.600 0.008 0.000 0.991 251 E CA 1.778 58.157 56.400 -0.035 0.000 0.810 251 E CB -0.272 29.401 29.700 -0.045 0.000 0.742 251 E HN 0.738 nan 8.360 nan 0.000 0.466 252 T N -0.065 114.495 114.554 0.011 0.000 2.821 252 T HA -0.123 4.216 4.350 -0.018 0.000 0.267 252 T C 1.851 176.577 174.700 0.043 0.000 1.046 252 T CA 0.994 63.121 62.100 0.045 0.000 1.139 252 T CB -0.016 68.888 68.868 0.060 0.000 0.871 252 T HN 0.062 nan 8.240 nan 0.000 0.454 253 M N 0.496 120.112 119.600 0.026 0.000 2.132 253 M HA -0.047 4.422 4.480 -0.018 0.000 0.263 253 M C 2.645 178.961 176.300 0.027 0.000 1.065 253 M CA 1.746 57.064 55.300 0.030 0.000 1.122 253 M CB -0.796 31.827 32.600 0.039 0.000 1.365 253 M HN 0.248 nan 8.290 nan 0.000 0.411 254 T N 0.329 114.895 114.554 0.021 0.000 2.665 254 T HA -0.166 4.173 4.350 -0.018 0.000 0.268 254 T C 1.741 176.453 174.700 0.019 0.000 1.035 254 T CA 1.333 63.442 62.100 0.015 0.000 1.151 254 T CB -0.286 68.595 68.868 0.021 0.000 0.862 254 T HN 0.326 nan 8.240 nan 0.000 0.438 255 E N 0.661 120.878 120.200 0.029 0.000 2.097 255 E HA -0.108 4.230 4.350 -0.018 0.000 0.196 255 E C 2.214 178.831 176.600 0.028 0.000 1.000 255 E CA 1.058 57.476 56.400 0.030 0.000 0.804 255 E CB -0.376 29.346 29.700 0.037 0.000 0.740 255 E HN 0.556 nan 8.360 nan 0.000 0.454 256 I N 0.221 120.814 120.570 0.038 0.000 2.286 256 I HA -0.208 3.951 4.170 -0.018 0.000 0.245 256 I C 2.436 178.565 176.117 0.020 0.000 1.104 256 I CA 0.473 61.795 61.300 0.037 0.000 1.397 256 I CB -0.255 37.777 38.000 0.054 0.000 1.072 256 I HN -0.083 nan 8.210 nan 0.000 0.417 257 V N 1.221 121.142 119.914 0.012 0.000 2.332 257 V HA -0.252 3.857 4.120 -0.018 0.000 0.248 257 V C 1.411 177.503 176.094 -0.003 0.000 1.055 257 V CA 1.732 64.030 62.300 -0.003 0.000 1.038 257 V CB -0.730 31.084 31.823 -0.016 0.000 0.651 257 V HN 0.489 nan 8.190 nan 0.000 0.450 258 N N 0.098 118.799 118.700 0.003 0.000 2.362 258 N HA 0.047 4.776 4.740 -0.018 0.000 0.211 258 N C 0.479 175.996 175.510 0.011 0.000 1.170 258 N CA 0.072 53.125 53.050 0.005 0.000 0.828 258 N CB 0.010 38.502 38.487 0.008 0.000 1.034 258 N HN 0.321 nan 8.380 nan 0.000 0.475 259 K N 1.706 122.112 120.400 0.011 0.000 2.326 259 K HA 0.113 4.422 4.320 -0.018 0.000 0.275 259 K C 0.168 176.776 176.600 0.014 0.000 1.018 259 K CA -0.021 56.275 56.287 0.014 0.000 0.962 259 K CB 0.443 32.951 32.500 0.013 0.000 0.953 259 K HN 0.099 nan 8.250 nan 0.000 0.475 260 K N 5.665 126.075 120.400 0.018 0.000 2.167 260 K HA 0.190 4.499 4.320 -0.018 0.000 0.275 260 K C 0.454 177.063 176.600 0.016 0.000 1.103 260 K CA -0.012 56.285 56.287 0.017 0.000 0.963 260 K CB -0.768 31.744 32.500 0.021 0.000 1.243 260 K HN 0.727 nan 8.250 nan 0.000 0.407 261 M N -1.268 118.339 119.600 0.012 0.000 2.631 261 M HA 0.752 5.221 4.480 -0.018 0.000 0.288 261 M C 0.106 176.411 176.300 0.009 0.000 1.260 261 M CA -1.102 54.205 55.300 0.011 0.000 0.842 261 M CB 1.580 34.187 32.600 0.011 0.000 1.743 261 M HN 0.262 nan 8.290 nan 0.000 0.461 262 K N 1.284 121.689 120.400 0.008 0.000 2.401 262 K HA 0.364 4.673 4.320 -0.018 0.000 0.278 262 K C -2.202 174.401 176.600 0.005 0.000 1.018 262 K CA -1.033 55.258 56.287 0.007 0.000 0.981 262 K CB -1.264 31.240 32.500 0.006 0.000 0.933 262 K HN 0.634 nan 8.250 nan 0.000 0.477 263 P HA -0.335 nan 4.420 nan 0.000 0.216 263 P C 1.873 179.174 177.300 0.002 0.000 1.151 263 P CA 2.813 65.915 63.100 0.003 0.000 0.953 263 P CB -0.370 31.332 31.700 0.005 0.000 0.789 264 L N 0.178 121.403 121.223 0.002 0.000 2.197 264 L HA -0.219 4.110 4.340 -0.018 0.000 0.215 264 L C 2.557 179.427 176.870 -0.000 0.000 1.095 264 L CA 2.566 57.407 54.840 0.000 0.000 0.764 264 L CB -2.040 40.019 42.059 -0.000 0.000 0.897 264 L HN 0.060 nan 8.230 nan 0.000 0.436 265 E N -0.674 119.527 120.200 0.001 0.000 2.060 265 E HA -0.175 4.164 4.350 -0.018 0.000 0.189 265 E C 2.306 178.906 176.600 -0.000 0.000 0.974 265 E CA 1.195 57.596 56.400 0.001 0.000 0.808 265 E CB -0.088 29.614 29.700 0.004 0.000 0.768 265 E HN 0.700 nan 8.360 nan 0.000 0.453 266 K N 1.394 121.794 120.400 -0.000 0.000 2.152 266 K HA -0.039 4.270 4.320 -0.018 0.000 0.206 266 K C 2.064 178.660 176.600 -0.007 0.000 1.048 266 K CA 0.644 56.929 56.287 -0.003 0.000 0.933 266 K CB -0.377 32.121 32.500 -0.005 0.000 0.721 266 K HN 0.053 nan 8.250 nan 0.000 0.447 267 L N 0.186 121.406 121.223 -0.005 0.000 2.291 267 L HA -0.117 4.212 4.340 -0.018 0.000 0.214 267 L C 1.673 178.541 176.870 -0.003 0.000 1.120 267 L CA 0.948 55.786 54.840 -0.004 0.000 0.799 267 L CB -0.296 41.764 42.059 0.001 0.000 0.925 267 L HN 0.297 nan 8.230 nan 0.000 0.446 268 N N -0.248 118.449 118.700 -0.004 0.000 2.290 268 N HA -0.098 4.631 4.740 -0.018 0.000 0.179 268 N C 1.944 177.448 175.510 -0.009 0.000 1.016 268 N CA 1.279 54.325 53.050 -0.006 0.000 0.871 268 N CB 0.027 38.510 38.487 -0.006 0.000 0.987 268 N HN 0.198 nan 8.380 nan 0.000 0.431 269 L N 0.286 121.504 121.223 -0.008 0.000 2.005 269 L HA 0.110 4.439 4.340 -0.018 0.000 0.207 269 L C 2.229 179.088 176.870 -0.017 0.000 1.072 269 L CA 1.455 56.289 54.840 -0.009 0.000 0.744 269 L CB -1.760 40.298 42.059 -0.002 0.000 0.895 269 L HN 0.242 nan 8.230 nan 0.000 0.433 270 L N -0.219 120.992 121.223 -0.020 0.000 2.450 270 L HA -0.232 4.097 4.340 -0.018 0.000 0.225 270 L C 2.378 179.228 176.870 -0.034 0.000 1.145 270 L CA 1.813 56.633 54.840 -0.032 0.000 0.801 270 L CB -0.652 41.385 42.059 -0.036 0.000 0.924 270 L HN 0.738 nan 8.230 nan 0.000 0.447 271 N N 0.201 118.889 118.700 -0.020 0.000 2.387 271 N HA -0.024 4.704 4.740 -0.018 0.000 0.176 271 N C 1.816 177.313 175.510 -0.022 0.000 1.022 271 N CA 0.369 53.415 53.050 -0.008 0.000 0.883 271 N CB 0.145 38.638 38.487 0.010 0.000 1.019 271 N HN 0.149 nan 8.380 nan 0.000 0.435 272 I N 0.461 121.012 120.570 -0.032 0.000 2.163 272 I HA -0.280 3.879 4.170 -0.018 0.000 0.243 272 I C 1.962 178.019 176.117 -0.098 0.000 1.085 272 I CA 0.953 62.222 61.300 -0.052 0.000 1.347 272 I CB -0.388 37.587 38.000 -0.043 0.000 1.044 272 I HN 0.186 nan 8.210 nan 0.000 0.408 273 L N 0.501 121.673 121.223 -0.086 0.000 1.976 273 L HA -0.255 4.074 4.340 -0.018 0.000 0.209 273 L C 2.457 179.237 176.870 -0.151 0.000 1.071 273 L CA 2.074 56.843 54.840 -0.118 0.000 0.746 273 L CB -0.793 41.239 42.059 -0.045 0.000 0.890 273 L HN 0.340 nan 8.230 nan 0.000 0.432 274 N N 0.022 118.662 118.700 -0.099 0.000 2.060 274 N HA -0.264 4.465 4.740 -0.018 0.000 0.195 274 N C 1.769 177.254 175.510 -0.042 0.000 1.028 274 N CA 1.409 54.400 53.050 -0.099 0.000 0.861 274 N CB -0.141 38.291 38.487 -0.093 0.000 1.029 274 N HN 0.063 nan 8.380 nan 0.000 0.428 275 L N 1.165 122.387 121.223 -0.001 0.000 2.017 275 L HA -0.114 4.215 4.340 -0.018 0.000 0.208 275 L C 1.967 178.916 176.870 0.132 0.000 1.073 275 L CA 1.598 56.509 54.840 0.118 0.000 0.745 275 L CB -0.995 41.114 42.059 0.083 0.000 0.894 275 L HN 0.336 nan 8.230 nan 0.000 0.432 276 N N -0.528 118.088 118.700 -0.139 0.000 2.069 276 N HA -0.191 4.538 4.740 -0.018 0.000 0.191 276 N C 1.958 177.282 175.510 -0.310 0.000 1.031 276 N CA 1.512 54.324 53.050 -0.398 0.000 0.852 276 N CB -0.287 37.539 38.487 -1.102 0.000 1.018 276 N HN 0.337 nan 8.380 nan 0.000 0.423 277 L N -0.078 120.978 121.223 -0.278 0.000 2.127 277 L HA -0.187 4.142 4.340 -0.018 0.000 0.211 277 L C 2.245 179.169 176.870 0.089 0.000 1.089 277 L CA 0.911 55.739 54.840 -0.019 0.000 0.757 277 L CB -0.336 41.655 42.059 -0.113 0.000 0.899 277 L HN 0.114 nan 8.230 nan 0.000 0.434 278 F N 0.017 119.946 119.950 -0.035 0.000 2.098 278 F HA -0.183 4.333 4.527 -0.019 0.000 0.294 278 F C 1.890 177.652 175.800 -0.062 0.000 1.107 278 F CA 1.423 59.377 58.000 -0.076 0.000 1.234 278 F CB -0.274 38.620 39.000 -0.177 0.000 1.002 278 F HN -0.115 nan 8.300 nan 0.000 0.472 279 F N 0.301 120.307 119.950 0.094 0.000 2.802 279 F HA 0.001 4.517 4.527 -0.018 0.000 0.300 279 F C 2.462 178.273 175.800 0.019 0.000 1.168 279 F CA 0.745 58.756 58.000 0.018 0.000 1.433 279 F CB -0.676 38.401 39.000 0.127 0.000 1.115 279 F HN 0.096 nan 8.300 nan 0.000 0.582 280 S N -0.992 114.825 115.700 0.195 0.000 2.483 280 S HA 0.168 4.627 4.470 -0.018 0.000 0.221 280 S C 1.240 175.946 174.600 0.176 0.000 1.030 280 S CA 0.026 58.374 58.200 0.248 0.000 0.925 280 S CB -0.655 62.812 63.200 0.445 0.000 0.795 280 S HN 0.157 nan 8.310 nan 0.000 0.511 281 K N 1.990 122.463 120.400 0.121 0.000 2.489 281 K HA 0.451 4.760 4.320 -0.018 0.000 0.278 281 K C 1.050 177.643 176.600 -0.010 0.000 1.000 281 K CA 0.389 56.718 56.287 0.070 0.000 1.012 281 K CB -1.061 31.455 32.500 0.028 0.000 0.903 281 K HN 1.439 nan 8.250 nan 0.000 0.485 282 S N -1.511 114.181 115.700 -0.013 0.000 3.146 282 S HA -0.296 4.163 4.470 -0.018 0.000 0.285 282 S C 0.439 175.044 174.600 0.008 0.000 1.293 282 S CA 1.755 59.941 58.200 -0.023 0.000 1.137 282 S CB -2.413 60.752 63.200 -0.057 0.000 1.357 282 S HN 2.029 nan 8.310 nan 0.000 0.678 288 D N 1.255 121.740 120.400 0.141 0.000 3.058 288 D HA 0.258 4.887 4.640 -0.018 0.000 0.275 288 D C -2.497 173.914 176.300 0.185 0.000 1.089 288 D CA -0.207 53.873 54.000 0.132 0.000 0.722 288 D CB 1.673 42.546 40.800 0.122 0.000 1.454 288 D HN 0.246 nan 8.370 nan 0.000 0.453 289 P HA 0.055 nan 4.420 nan 0.000 0.216 289 P C 0.893 178.310 177.300 0.196 0.000 1.151 289 P CA 0.525 63.738 63.100 0.190 0.000 0.863 289 P CB 0.612 32.410 31.700 0.165 0.000 0.790 290 N N -0.344 118.458 118.700 0.171 0.000 2.289 290 N HA -0.142 4.587 4.740 -0.018 0.000 0.184 290 N C 1.692 177.320 175.510 0.197 0.000 1.016 290 N CA 0.809 53.924 53.050 0.108 0.000 0.872 290 N CB -0.843 37.718 38.487 0.124 0.000 0.973 290 N HN 0.105 nan 8.380 nan 0.000 0.433 291 F N 2.811 122.841 119.950 0.132 0.000 2.075 291 F HA -0.133 4.383 4.527 -0.019 0.000 0.297 291 F C 1.819 177.714 175.800 0.159 0.000 1.113 291 F CA 1.322 59.426 58.000 0.174 0.000 1.218 291 F CB -0.488 38.581 39.000 0.114 0.000 0.984 291 F HN -0.102 nan 8.300 nan 0.000 0.472 292 D N 0.252 120.718 120.400 0.109 0.000 2.123 292 D HA -0.240 4.389 4.640 -0.018 0.000 0.196 292 D C 2.195 178.463 176.300 -0.053 0.000 0.992 292 D CA 1.625 55.654 54.000 0.049 0.000 0.833 292 D CB -0.635 40.306 40.800 0.234 0.000 0.954 292 D HN 0.526 nan 8.370 nan 0.000 0.455 293 E N -0.319 119.855 120.200 -0.044 0.000 2.118 293 E HA -0.231 4.108 4.350 -0.018 0.000 0.195 293 E C 1.943 178.415 176.600 -0.213 0.000 0.992 293 E CA 0.975 57.283 56.400 -0.153 0.000 0.804 293 E CB 0.138 29.714 29.700 -0.207 0.000 0.741 293 E HN 0.368 nan 8.360 nan 0.000 0.458 294 H N -0.445 118.563 119.070 -0.103 0.000 2.299 294 H HA -0.076 4.469 4.556 -0.018 0.000 0.302 294 H C 2.364 177.555 175.328 -0.228 0.000 1.078 294 H CA 1.536 57.512 56.048 -0.120 0.000 1.323 294 H CB -0.366 29.374 29.762 -0.036 0.000 1.381 294 H HN 0.090 nan 8.280 nan 0.000 0.498 295 V N 1.352 121.106 119.914 -0.266 0.000 2.332 295 V HA -0.277 3.832 4.120 -0.018 0.000 0.248 295 V C 2.818 178.634 176.094 -0.462 0.000 1.055 295 V CA 1.624 63.698 62.300 -0.376 0.000 1.038 295 V CB -1.111 30.429 31.823 -0.471 0.000 0.651 295 V HN 0.463 nan 8.190 nan 0.000 0.450 296 A N 0.334 122.759 122.820 -0.658 0.000 1.877 296 A HA -0.235 4.074 4.320 -0.018 0.000 0.216 296 A C 2.507 179.930 177.584 -0.268 0.000 1.186 296 A CA 2.794 54.423 52.037 -0.679 0.000 0.620 296 A CB -0.831 17.864 19.000 -0.508 0.000 0.822 296 A HN 0.534 nan 8.150 nan 0.000 0.443 297 K N -0.504 119.794 120.400 -0.170 0.000 2.152 297 K HA -0.056 4.253 4.320 -0.018 0.000 0.206 297 K C 1.967 178.531 176.600 -0.059 0.000 1.048 297 K CA 1.806 58.050 56.287 -0.072 0.000 0.933 297 K CB -1.219 31.266 32.500 -0.025 0.000 0.721 297 K HN 0.493 nan 8.250 nan 0.000 0.447 298 L N 0.388 121.562 121.223 -0.081 0.000 1.994 298 L HA 0.014 4.343 4.340 -0.018 0.000 0.208 298 L C 2.413 179.240 176.870 -0.071 0.000 1.071 298 L CA 1.670 56.475 54.840 -0.058 0.000 0.745 298 L CB -0.296 41.731 42.059 -0.052 0.000 0.892 298 L HN 0.459 nan 8.230 nan 0.000 0.431 299 I N -0.171 120.347 120.570 -0.087 0.000 2.142 299 I HA -0.332 3.827 4.170 -0.018 0.000 0.240 299 I C 2.455 178.526 176.117 -0.076 0.000 1.078 299 I CA 1.621 62.892 61.300 -0.049 0.000 1.343 299 I CB -0.651 37.376 38.000 0.046 0.000 1.046 299 I HN 0.502 nan 8.210 nan 0.000 0.405 300 N N 1.546 120.250 118.700 0.005 0.000 2.060 300 N HA -0.253 4.476 4.740 -0.018 0.000 0.195 300 N C 1.880 177.330 175.510 -0.099 0.000 1.028 300 N CA 2.189 55.274 53.050 0.059 0.000 0.861 300 N CB -0.029 38.516 38.487 0.096 0.000 1.029 300 N HN 0.380 nan 8.380 nan 0.000 0.428 301 A N 1.036 123.808 122.820 -0.081 0.000 1.883 301 A HA -0.213 4.096 4.320 -0.018 0.000 0.217 301 A C 2.261 179.757 177.584 -0.147 0.000 1.186 301 A CA 1.688 53.676 52.037 -0.082 0.000 0.624 301 A CB -0.741 18.231 19.000 -0.046 0.000 0.822 301 A HN 0.564 nan 8.150 nan 0.000 0.444 302 Q N -0.852 118.836 119.800 -0.187 0.000 1.967 302 Q HA -0.109 4.220 4.340 -0.018 0.000 0.202 302 Q C 2.334 178.105 176.000 -0.382 0.000 0.985 302 Q CA 1.242 56.913 55.803 -0.220 0.000 0.839 302 Q CB -0.701 27.920 28.738 -0.195 0.000 0.906 302 Q HN 0.653 nan 8.270 nan 0.000 0.423 303 G N 1.119 109.458 108.800 -0.769 0.000 2.631 303 G HA2 -0.356 3.593 3.960 -0.018 0.000 0.219 303 G HA3 -0.356 3.593 3.960 -0.018 0.000 0.219 303 G C 1.521 175.979 174.900 -0.737 0.000 1.214 303 G CA 1.290 45.451 45.100 -1.564 0.000 0.785 303 G HN 0.324 nan 8.290 nan 0.000 0.596 304 V N 0.346 119.995 119.914 -0.442 0.000 2.546 304 V HA -0.144 3.965 4.120 -0.018 0.000 0.254 304 V C 2.697 178.754 176.094 -0.061 0.000 1.076 304 V CA 2.791 65.043 62.300 -0.080 0.000 1.087 304 V CB -0.267 31.559 31.823 0.005 0.000 0.674 304 V HN 0.384 nan 8.190 nan 0.000 0.470 305 E N -0.026 120.109 120.200 -0.109 0.000 2.008 305 E HA -0.097 4.242 4.350 -0.018 0.000 0.191 305 E C 2.217 178.790 176.600 -0.046 0.000 0.986 305 E CA 1.569 57.932 56.400 -0.062 0.000 0.807 305 E CB -0.502 29.157 29.700 -0.068 0.000 0.766 305 E HN 0.581 nan 8.360 nan 0.000 0.450 306 L N 0.775 121.954 121.223 -0.074 0.000 2.021 306 L HA -0.224 4.105 4.340 -0.018 0.000 0.215 306 L C 2.619 179.499 176.870 0.017 0.000 1.074 306 L CA 1.139 55.961 54.840 -0.030 0.000 0.760 306 L CB -0.727 41.308 42.059 -0.039 0.000 0.889 306 L HN 0.016 nan 8.230 nan 0.000 0.433 307 V N -0.020 119.915 119.914 0.036 0.000 2.343 307 V HA -0.270 3.839 4.120 -0.018 0.000 0.247 307 V C 2.748 178.879 176.094 0.062 0.000 1.051 307 V CA 1.760 64.115 62.300 0.091 0.000 1.036 307 V CB -0.853 31.069 31.823 0.165 0.000 0.654 307 V HN 0.496 nan 8.190 nan 0.000 0.451 308 A N -0.321 122.524 122.820 0.042 0.000 1.978 308 A HA -0.173 4.136 4.320 -0.018 0.000 0.220 308 A C 2.178 179.778 177.584 0.027 0.000 1.170 308 A CA 1.823 53.880 52.037 0.034 0.000 0.636 308 A CB -0.514 18.500 19.000 0.024 0.000 0.810 308 A HN 0.532 nan 8.150 nan 0.000 0.448 309 I N 0.267 120.849 120.570 0.021 0.000 2.286 309 I HA -0.222 3.937 4.170 -0.018 0.000 0.245 309 I C 2.730 178.860 176.117 0.023 0.000 1.104 309 I CA 1.575 62.886 61.300 0.017 0.000 1.397 309 I CB -0.220 37.786 38.000 0.010 0.000 1.072 309 I HN 0.466 nan 8.210 nan 0.000 0.417 310 K N 0.810 121.229 120.400 0.032 0.000 2.360 310 K HA -0.110 4.199 4.320 -0.018 0.000 0.201 310 K C 1.900 178.519 176.600 0.032 0.000 1.046 310 K CA 1.356 57.664 56.287 0.035 0.000 0.940 310 K CB -1.545 30.985 32.500 0.049 0.000 0.748 310 K HN 0.640 nan 8.250 nan 0.000 0.465 311 S N 1.829 117.548 115.700 0.032 0.000 2.338 311 S HA -0.139 4.319 4.470 -0.018 0.000 0.218 311 S C 0.783 175.395 174.600 0.020 0.000 1.032 311 S CA 0.811 59.028 58.200 0.028 0.000 0.999 311 S CB -0.773 62.444 63.200 0.029 0.000 0.905 311 S HN 0.820 nan 8.310 nan 0.000 0.439 312 D N 2.724 123.134 120.400 0.017 0.000 2.411 312 D HA 0.333 4.962 4.640 -0.018 0.000 0.225 312 D C -1.763 174.544 176.300 0.012 0.000 1.156 312 D CA -2.251 51.757 54.000 0.013 0.000 0.874 312 D CB 1.080 41.887 40.800 0.011 0.000 1.034 312 D HN 0.268 nan 8.370 nan 0.000 0.502 313 P HA -0.035 nan 4.420 nan 0.000 0.230 313 P C 1.535 178.838 177.300 0.005 0.000 1.168 313 P CA 0.520 63.625 63.100 0.008 0.000 0.793 313 P CB 0.226 31.931 31.700 0.008 0.000 0.851 314 S N 0.717 116.420 115.700 0.005 0.000 2.407 314 S HA -0.261 4.198 4.470 -0.018 0.000 0.235 314 S C 2.183 176.784 174.600 0.002 0.000 1.036 314 S CA 2.403 60.605 58.200 0.003 0.000 1.013 314 S CB -1.322 61.880 63.200 0.003 0.000 0.820 314 S HN 0.352 nan 8.310 nan 0.000 0.476 315 E N -0.014 120.188 120.200 0.003 0.000 2.038 315 E HA 0.350 4.689 4.350 -0.018 0.000 0.195 315 E C 1.189 177.789 176.600 0.001 0.000 1.000 315 E CA 1.862 58.263 56.400 0.003 0.000 0.803 315 E CB -1.513 28.190 29.700 0.004 0.000 0.750 315 E HN 1.517 nan 8.360 nan 0.000 0.448 316 L N 0.240 121.464 121.223 0.001 0.000 2.303 316 L HA 0.817 5.146 4.340 -0.018 0.000 0.266 316 L C 0.761 177.629 176.870 -0.003 0.000 1.011 316 L CA -0.362 54.477 54.840 -0.001 0.000 0.818 316 L CB 1.590 43.649 42.059 -0.000 0.000 1.326 316 L HN 0.698 nan 8.230 nan 0.000 0.435 317 S N 0.235 115.931 115.700 -0.006 0.000 2.693 317 S HA 0.588 5.047 4.470 -0.018 0.000 0.276 317 S C -1.481 173.113 174.600 -0.011 0.000 1.192 317 S CA -0.569 57.626 58.200 -0.008 0.000 0.994 317 S CB 1.108 64.302 63.200 -0.011 0.000 1.012 317 S HN 0.785 nan 8.310 nan 0.000 0.550 318 P HA -0.124 nan 4.420 nan 0.000 0.221 318 P C 1.304 178.589 177.300 -0.024 0.000 1.141 318 P CA 2.096 65.186 63.100 -0.018 0.000 0.794 318 P CB -0.454 31.234 31.700 -0.020 0.000 0.764 319 E N 0.911 121.096 120.200 -0.025 0.000 2.028 319 E HA -0.092 4.247 4.350 -0.018 0.000 0.190 319 E C 2.227 178.811 176.600 -0.026 0.000 0.984 319 E CA 1.118 57.498 56.400 -0.032 0.000 0.800 319 E CB -1.352 28.330 29.700 -0.031 0.000 0.758 319 E HN 0.272 nan 8.360 nan 0.000 0.448 320 L N 0.180 121.394 121.223 -0.016 0.000 2.313 320 L HA -0.047 4.282 4.340 -0.018 0.000 0.214 320 L C 2.829 179.700 176.870 0.001 0.000 1.119 320 L CA 1.202 56.038 54.840 -0.006 0.000 0.809 320 L CB -0.035 42.022 42.059 -0.004 0.000 0.933 320 L HN 0.315 nan 8.230 nan 0.000 0.449 321 K N 0.691 121.089 120.400 -0.003 0.000 2.097 321 K HA -0.164 4.144 4.320 -0.018 0.000 0.205 321 K C 2.233 178.835 176.600 0.003 0.000 1.050 321 K CA 1.581 57.868 56.287 0.001 0.000 0.938 321 K CB -0.313 32.185 32.500 -0.004 0.000 0.718 321 K HN 0.590 nan 8.250 nan 0.000 0.442 322 E N 0.769 120.964 120.200 -0.008 0.000 2.016 322 E HA -0.131 4.208 4.350 -0.018 0.000 0.190 322 E C 1.857 178.471 176.600 0.023 0.000 0.985 322 E CA 1.586 57.978 56.400 -0.013 0.000 0.802 322 E CB -1.396 28.274 29.700 -0.049 0.000 0.762 322 E HN 0.742 nan 8.360 nan 0.000 0.448 323 N N 0.054 118.763 118.700 0.014 0.000 2.064 323 N HA -0.261 4.468 4.740 -0.018 0.000 0.200 323 N C 1.953 177.532 175.510 0.115 0.000 1.028 323 N CA 2.739 55.830 53.050 0.069 0.000 0.880 323 N CB -1.042 37.465 38.487 0.032 0.000 1.062 323 N HN 0.596 nan 8.380 nan 0.000 0.454 324 C N -0.443 118.893 119.300 0.059 0.000 2.376 324 C HA -0.147 4.301 4.460 -0.018 0.000 0.275 324 C C 2.850 177.874 174.990 0.056 0.000 1.200 324 C CA 1.841 60.887 59.018 0.047 0.000 1.756 324 C CB -1.665 26.093 27.740 0.030 0.000 2.050 324 C HN 0.600 nan 8.230 nan 0.000 0.460 325 S N -0.395 115.339 115.700 0.058 0.000 2.419 325 S HA -0.107 4.352 4.470 -0.018 0.000 0.233 325 S C 1.364 175.992 174.600 0.047 0.000 1.016 325 S CA 1.485 59.711 58.200 0.044 0.000 0.974 325 S CB -0.525 62.685 63.200 0.018 0.000 0.786 325 S HN 0.737 nan 8.310 nan 0.000 0.492 326 F N 2.458 122.362 119.950 -0.076 0.000 2.098 326 F HA -0.058 4.457 4.527 -0.019 0.000 0.294 326 F C 2.315 178.084 175.800 -0.051 0.000 1.107 326 F CA 1.392 59.346 58.000 -0.077 0.000 1.234 326 F CB -0.754 38.193 39.000 -0.089 0.000 1.002 326 F HN 0.123 nan 8.300 nan 0.000 0.472 327 Q N 0.486 120.205 119.800 -0.135 0.000 2.096 327 Q HA -0.238 4.091 4.340 -0.018 0.000 0.204 327 Q C 2.476 178.350 176.000 -0.211 0.000 0.982 327 Q CA 1.992 57.644 55.803 -0.252 0.000 0.850 327 Q CB -0.604 28.085 28.738 -0.082 0.000 0.901 327 Q HN 0.510 nan 8.270 nan 0.000 0.422 328 L N -0.184 120.986 121.223 -0.088 0.000 1.989 328 L HA -0.267 4.062 4.340 -0.018 0.000 0.211 328 L C 2.486 179.249 176.870 -0.177 0.000 1.071 328 L CA 1.736 56.593 54.840 0.028 0.000 0.749 328 L CB -0.454 41.694 42.059 0.148 0.000 0.890 328 L HN 0.298 nan 8.230 nan 0.000 0.431 329 Y N 1.310 121.187 120.300 -0.705 0.000 2.114 329 Y HA -0.336 4.203 4.550 -0.019 0.000 0.282 329 Y C 2.322 177.695 175.900 -0.879 0.000 1.165 329 Y CA 2.207 59.483 58.100 -1.373 0.000 1.148 329 Y CB -0.717 37.268 38.460 -0.791 0.000 0.972 329 Y HN 0.320 nan 8.280 nan 0.000 0.504 330 N N 0.001 118.357 118.700 -0.573 0.000 2.588 330 N HA -0.139 4.590 4.740 -0.018 0.000 0.190 330 N C 1.139 176.535 175.510 -0.190 0.000 1.094 330 N CA 0.844 53.644 53.050 -0.417 0.000 0.921 330 N CB -0.196 38.016 38.487 -0.459 0.000 0.959 330 N HN 0.414 nan 8.380 nan 0.000 0.448 331 L N -0.561 120.618 121.223 -0.073 0.000 2.607 331 L HA 0.139 4.468 4.340 -0.018 0.000 0.228 331 L C 1.036 178.226 176.870 0.534 0.000 1.123 331 L CA -0.227 54.709 54.840 0.160 0.000 0.890 331 L CB -0.046 42.147 42.059 0.223 0.000 1.103 331 L HN 0.019 nan 8.230 nan 0.000 0.468 332 F N 1.224 121.216 119.950 0.070 0.000 2.146 332 F HA -0.010 4.506 4.527 -0.019 0.000 0.298 332 F C -0.055 175.891 175.800 0.244 0.000 1.096 332 F CA 0.323 58.407 58.000 0.140 0.000 1.275 332 F CB -2.240 36.683 39.000 -0.129 0.000 1.008 332 F HN 0.106 nan 8.300 nan 0.000 0.480 333 P HA -0.170 nan 4.420 nan 0.000 0.218 333 P C 1.299 178.688 177.300 0.149 0.000 1.148 333 P CA 1.608 64.834 63.100 0.211 0.000 0.822 333 P CB -0.241 31.524 31.700 0.109 0.000 0.784 334 Y N -0.879 119.522 120.300 0.169 0.000 2.243 334 Y HA -0.030 4.509 4.550 -0.018 0.000 0.293 334 Y C 2.233 178.332 175.900 0.331 0.000 1.124 334 Y CA 0.316 58.568 58.100 0.253 0.000 1.159 334 Y CB -1.599 37.056 38.460 0.324 0.000 1.008 334 Y HN -0.154 nan 8.280 nan 0.000 0.527 335 L N 0.276 121.778 121.223 0.465 0.000 2.129 335 L HA -0.202 4.127 4.340 -0.018 0.000 0.212 335 L C 1.781 178.721 176.870 0.117 0.000 1.087 335 L CA 1.719 56.717 54.840 0.263 0.000 0.757 335 L CB -0.734 41.348 42.059 0.039 0.000 0.896 335 L HN 0.230 nan 8.230 nan 0.000 0.434 336 I N -0.882 119.737 120.570 0.082 0.000 2.296 336 I HA -0.156 4.003 4.170 -0.018 0.000 0.242 336 I C 2.536 178.619 176.117 -0.056 0.000 1.087 336 I CA 0.964 62.239 61.300 -0.042 0.000 1.393 336 I CB -0.425 37.535 38.000 -0.067 0.000 1.093 336 I HN 0.243 nan 8.210 nan 0.000 0.421 337 R N 1.084 121.523 120.500 -0.102 0.000 2.226 337 R HA -0.231 4.098 4.340 -0.018 0.000 0.246 337 R C 1.477 177.566 176.300 -0.351 0.000 1.161 337 R CA 1.998 57.933 56.100 -0.275 0.000 0.997 337 R CB -0.851 29.187 30.300 -0.437 0.000 0.870 337 R HN 0.457 nan 8.270 nan 0.000 0.465 338 Y N -1.647 118.651 120.300 -0.002 0.000 2.535 338 Y HA 0.174 4.713 4.550 -0.018 0.000 0.266 338 Y C 1.628 177.539 175.900 0.020 0.000 1.088 338 Y CA 0.149 58.259 58.100 0.018 0.000 1.285 338 Y CB 0.011 38.502 38.460 0.051 0.000 1.166 338 Y HN 0.058 nan 8.280 nan 0.000 0.525 339 L N 0.367 121.671 121.223 0.135 0.000 2.093 339 L HA -0.106 4.223 4.340 -0.018 0.000 0.208 339 L C 1.825 178.715 176.870 0.033 0.000 1.085 339 L CA 1.904 56.783 54.840 0.064 0.000 0.755 339 L CB -0.577 41.430 42.059 -0.087 0.000 0.904 339 L HN 0.133 nan 8.230 nan 0.000 0.435 340 S N -1.742 113.950 115.700 -0.013 0.000 2.677 340 S HA 0.147 4.606 4.470 -0.018 0.000 0.246 340 S C 0.293 174.887 174.600 -0.011 0.000 1.005 340 S CA -0.669 57.512 58.200 -0.030 0.000 1.062 340 S CB -0.893 62.264 63.200 -0.072 0.000 0.778 340 S HN 0.452 nan 8.310 nan 0.000 0.461 341 D N 1.214 121.635 120.400 0.035 0.000 2.329 341 D HA 0.200 4.829 4.640 -0.018 0.000 0.246 341 D C 0.640 176.981 176.300 0.068 0.000 1.111 341 D CA -0.328 53.701 54.000 0.050 0.000 0.941 341 D CB 0.861 41.729 40.800 0.113 0.000 1.169 341 D HN 0.010 nan 8.370 nan 0.000 0.441 342 D N 0.572 121.012 120.400 0.067 0.000 2.224 342 D HA -0.163 4.466 4.640 -0.018 0.000 0.205 342 D C 0.116 176.509 176.300 0.154 0.000 0.965 342 D CA 0.752 54.794 54.000 0.070 0.000 0.852 342 D CB 0.032 40.847 40.800 0.026 0.000 0.947 342 D HN 0.367 nan 8.370 nan 0.000 0.494 343 Y N 2.944 123.255 120.300 0.018 0.000 2.504 343 Y HA 0.066 4.605 4.550 -0.019 0.000 0.351 343 Y C 0.715 176.623 175.900 0.013 0.000 0.988 343 Y CA -1.386 56.723 58.100 0.016 0.000 1.239 343 Y CB 0.517 38.987 38.460 0.016 0.000 1.128 343 Y HN -0.245 nan 8.280 nan 0.000 0.525 344 D N 3.634 124.135 120.400 0.168 0.000 2.200 344 D HA -0.293 4.336 4.640 -0.018 0.000 0.192 344 D C 1.997 178.161 176.300 -0.227 0.000 1.008 344 D CA 2.246 56.236 54.000 -0.017 0.000 0.872 344 D CB 0.058 40.870 40.800 0.021 0.000 0.923 344 D HN 0.827 nan 8.370 nan 0.000 0.447 345 E N -0.154 119.730 120.200 -0.527 0.000 2.150 345 E HA -0.128 4.211 4.350 -0.018 0.000 0.193 345 E C 2.133 178.523 176.600 -0.352 0.000 0.985 345 E CA 1.610 57.679 56.400 -0.551 0.000 0.814 345 E CB -1.094 28.101 29.700 -0.841 0.000 0.752 345 E HN 0.364 nan 8.360 nan 0.000 0.466 346 T N -0.245 114.173 114.554 -0.226 0.000 2.851 346 T HA -0.076 4.263 4.350 -0.018 0.000 0.262 346 T C 2.301 177.005 174.700 0.008 0.000 1.043 346 T CA 1.291 63.370 62.100 -0.035 0.000 1.140 346 T CB -0.209 68.741 68.868 0.137 0.000 0.872 346 T HN 0.439 nan 8.240 nan 0.000 0.446 347 S N 0.950 116.660 115.700 0.017 0.000 2.356 347 S HA -0.146 4.313 4.470 -0.018 0.000 0.223 347 S C 2.186 176.785 174.600 -0.002 0.000 1.032 347 S CA 1.788 60.040 58.200 0.086 0.000 1.005 347 S CB -0.824 62.452 63.200 0.127 0.000 0.867 347 S HN 0.505 nan 8.310 nan 0.000 0.449 348 T N 1.959 116.312 114.554 -0.334 0.000 2.929 348 T HA 0.035 4.374 4.350 -0.018 0.000 0.271 348 T C 1.871 176.328 174.700 -0.405 0.000 1.085 348 T CA 1.085 62.677 62.100 -0.846 0.000 1.125 348 T CB -0.534 67.903 68.868 -0.719 0.000 0.874 348 T HN 0.516 nan 8.240 nan 0.000 0.494 349 A N 0.588 123.301 122.820 -0.179 0.000 2.121 349 A HA 0.065 4.374 4.320 -0.018 0.000 0.218 349 A C 2.207 179.812 177.584 0.035 0.000 1.154 349 A CA 0.822 52.809 52.037 -0.084 0.000 0.679 349 A CB -0.344 18.594 19.000 -0.103 0.000 0.795 349 A HN 0.416 nan 8.150 nan 0.000 0.458 350 V N -1.466 118.528 119.914 0.134 0.000 3.660 350 V HA 0.027 4.136 4.120 -0.018 0.000 0.276 350 V C 1.734 178.029 176.094 0.335 0.000 1.317 350 V CA 0.064 62.502 62.300 0.231 0.000 1.097 350 V CB -0.820 31.126 31.823 0.205 0.000 0.863 350 V HN 0.461 nan 8.190 nan 0.000 0.438 351 F N 1.185 121.165 119.950 0.051 0.000 2.063 351 F HA -0.139 4.377 4.527 -0.018 0.000 0.298 351 F C 0.214 176.143 175.800 0.215 0.000 1.105 351 F CA 1.710 59.789 58.000 0.131 0.000 1.215 351 F CB -2.406 36.728 39.000 0.224 0.000 0.972 351 F HN 0.295 nan 8.300 nan 0.000 0.483 352 P HA -0.260 nan 4.420 nan 0.000 0.213 352 P C 1.910 179.397 177.300 0.311 0.000 1.176 352 P CA 1.667 64.938 63.100 0.286 0.000 0.919 352 P CB -0.374 31.453 31.700 0.212 0.000 0.791 353 F N 0.620 120.644 119.950 0.123 0.000 2.065 353 F HA -0.209 4.307 4.527 -0.018 0.000 0.298 353 F C 2.010 177.864 175.800 0.090 0.000 1.112 353 F CA 1.281 59.336 58.000 0.092 0.000 1.212 353 F CB -1.524 37.521 39.000 0.075 0.000 0.975 353 F HN -0.219 nan 8.300 nan 0.000 0.476 354 L N 0.179 121.338 121.223 -0.106 0.000 1.990 354 L HA -0.225 4.103 4.340 -0.018 0.000 0.213 354 L C 2.715 179.607 176.870 0.036 0.000 1.072 354 L CA 2.498 57.165 54.840 -0.288 0.000 0.755 354 L CB -1.605 40.174 42.059 -0.468 0.000 0.889 354 L HN 0.345 nan 8.230 nan 0.000 0.432 355 S N -0.897 114.981 115.700 0.297 0.000 2.348 355 S HA -0.232 4.226 4.470 -0.018 0.000 0.221 355 S C 1.692 176.388 174.600 0.159 0.000 1.033 355 S CA 1.644 60.021 58.200 0.295 0.000 1.010 355 S CB -0.553 62.782 63.200 0.225 0.000 0.891 355 S HN 0.650 nan 8.310 nan 0.000 0.442 356 D N 0.694 121.202 120.400 0.179 0.000 2.158 356 D HA -0.110 4.519 4.640 -0.018 0.000 0.197 356 D C 1.791 178.183 176.300 0.153 0.000 0.995 356 D CA 1.073 55.172 54.000 0.164 0.000 0.846 356 D CB -0.322 40.606 40.800 0.212 0.000 0.941 356 D HN 0.315 nan 8.370 nan 0.000 0.456 357 L N 0.061 121.378 121.223 0.157 0.000 2.044 357 L HA -0.016 4.313 4.340 -0.018 0.000 0.205 357 L C 1.912 178.820 176.870 0.065 0.000 1.075 357 L CA 1.382 56.287 54.840 0.108 0.000 0.747 357 L CB -0.410 41.636 42.059 -0.022 0.000 0.903 357 L HN 0.069 nan 8.230 nan 0.000 0.435 358 L N -1.454 119.800 121.223 0.051 0.000 2.265 358 L HA -0.178 4.151 4.340 -0.018 0.000 0.215 358 L C 2.317 179.215 176.870 0.047 0.000 1.117 358 L CA 0.540 55.412 54.840 0.053 0.000 0.782 358 L CB -0.559 41.544 42.059 0.074 0.000 0.914 358 L HN 0.151 nan 8.230 nan 0.000 0.441 359 V N -0.612 119.333 119.914 0.052 0.000 2.453 359 V HA -0.203 3.906 4.120 -0.018 0.000 0.247 359 V C 2.600 178.719 176.094 0.042 0.000 1.048 359 V CA 1.856 64.178 62.300 0.036 0.000 1.049 359 V CB -0.117 31.728 31.823 0.037 0.000 0.672 359 V HN 0.623 nan 8.190 nan 0.000 0.457 360 S N -0.569 115.167 115.700 0.061 0.000 2.436 360 S HA -0.031 4.428 4.470 -0.018 0.000 0.228 360 S C 1.822 176.456 174.600 0.057 0.000 1.014 360 S CA 0.750 58.987 58.200 0.061 0.000 0.950 360 S CB -0.220 63.030 63.200 0.083 0.000 0.784 360 S HN 0.352 nan 8.310 nan 0.000 0.504 361 L N 1.745 123.004 121.223 0.061 0.000 2.179 361 L HA 0.180 4.508 4.340 -0.018 0.000 0.208 361 L C 3.098 179.993 176.870 0.042 0.000 1.096 361 L CA 1.173 56.050 54.840 0.061 0.000 0.779 361 L CB -0.983 41.120 42.059 0.075 0.000 0.922 361 L HN 0.378 nan 8.230 nan 0.000 0.443 362 R N 0.360 120.878 120.500 0.029 0.000 2.092 362 R HA -0.116 4.213 4.340 -0.018 0.000 0.231 362 R C 2.499 178.806 176.300 0.011 0.000 1.119 362 R CA 1.602 57.708 56.100 0.011 0.000 0.970 362 R CB -0.761 29.537 30.300 -0.004 0.000 0.864 362 R HN 0.507 nan 8.270 nan 0.000 0.440 363 K N -0.314 120.096 120.400 0.017 0.000 2.366 363 K HA 0.124 4.433 4.320 -0.018 0.000 0.198 363 K C 2.122 178.733 176.600 0.018 0.000 1.044 363 K CA 1.522 57.818 56.287 0.015 0.000 0.973 363 K CB -0.800 31.711 32.500 0.018 0.000 0.767 363 K HN 0.766 nan 8.250 nan 0.000 0.475 364 E N 0.630 120.845 120.200 0.026 0.000 2.400 364 E HA 0.046 4.385 4.350 -0.018 0.000 0.195 364 E C 1.529 178.143 176.600 0.023 0.000 1.012 364 E CA 0.671 57.087 56.400 0.026 0.000 0.875 364 E CB -0.250 29.473 29.700 0.037 0.000 0.859 364 E HN 0.755 nan 8.360 nan 0.000 0.498 365 S N 0.738 116.452 115.700 0.022 0.000 3.593 365 S HA 0.140 4.599 4.470 -0.018 0.000 0.224 365 S C 1.100 175.706 174.600 0.010 0.000 1.333 365 S CA 0.352 58.563 58.200 0.019 0.000 1.164 365 S CB -0.341 62.869 63.200 0.017 0.000 1.281 365 S HN 0.235 nan 8.310 nan 0.000 0.457 366 S N 1.647 117.353 115.700 0.010 0.000 2.436 366 S HA -0.046 4.413 4.470 -0.018 0.000 0.228 366 S C 2.029 176.631 174.600 0.004 0.000 1.014 366 S CA 0.968 59.171 58.200 0.005 0.000 0.950 366 S CB -0.144 63.059 63.200 0.005 0.000 0.784 366 S HN 0.931 nan 8.310 nan 0.000 0.504 367 S N -0.025 115.679 115.700 0.007 0.000 2.526 367 S HA 0.317 4.776 4.470 -0.018 0.000 0.220 367 S C 0.760 175.365 174.600 0.008 0.000 1.017 367 S CA -0.150 58.053 58.200 0.006 0.000 0.930 367 S CB -0.007 63.197 63.200 0.006 0.000 0.856 367 S HN 0.175 nan 8.310 nan 0.000 0.497 368 K N 1.419 121.827 120.400 0.012 0.000 3.160 368 K HA -0.163 4.146 4.320 -0.018 0.000 0.280 368 K C -1.328 175.283 176.600 0.020 0.000 1.154 368 K CA 0.686 56.983 56.287 0.015 0.000 0.822 368 K CB -1.826 30.680 32.500 0.010 0.000 1.239 368 K HN 0.779 nan 8.250 nan 0.000 0.489 369 E N 0.941 121.153 120.200 0.020 0.000 2.130 369 E HA 0.261 4.600 4.350 -0.018 0.000 0.284 369 E C 0.026 176.644 176.600 0.030 0.000 1.018 369 E CA -0.374 56.039 56.400 0.022 0.000 0.817 369 E CB 0.821 30.531 29.700 0.016 0.000 1.078 369 E HN 0.176 nan 8.360 nan 0.000 0.396 370 L N 2.884 124.129 121.223 0.037 0.000 2.295 370 L HA 0.297 4.626 4.340 -0.018 0.000 0.285 370 L C 0.244 177.143 176.870 0.049 0.000 1.035 370 L CA -0.599 54.271 54.840 0.050 0.000 0.806 370 L CB 1.439 43.533 42.059 0.060 0.000 1.214 370 L HN 0.524 nan 8.230 nan 0.000 0.426 371 S N 1.776 117.508 115.700 0.054 0.000 2.509 371 S HA 0.509 4.968 4.470 -0.018 0.000 0.297 371 S C 0.997 175.641 174.600 0.073 0.000 1.118 371 S CA -0.177 58.051 58.200 0.047 0.000 1.074 371 S CB 1.958 65.172 63.200 0.024 0.000 1.038 371 S HN 0.741 nan 8.310 nan 0.000 0.498 372 A N 3.055 125.917 122.820 0.069 0.000 1.923 372 A HA -0.207 4.102 4.320 -0.018 0.000 0.222 372 A C 2.460 180.129 177.584 0.141 0.000 1.258 372 A CA 2.738 54.830 52.037 0.092 0.000 0.670 372 A CB -1.857 17.190 19.000 0.079 0.000 0.834 372 A HN 1.032 nan 8.150 nan 0.000 0.470 373 S N -1.131 114.659 115.700 0.150 0.000 2.387 373 S HA -0.124 4.335 4.470 -0.018 0.000 0.230 373 S C 1.800 176.592 174.600 0.321 0.000 1.035 373 S CA 1.569 59.924 58.200 0.259 0.000 1.014 373 S CB -0.374 62.958 63.200 0.219 0.000 0.836 373 S HN 0.481 nan 8.310 nan 0.000 0.466 374 L N 0.374 121.743 121.223 0.242 0.000 2.162 374 L HA 0.031 4.360 4.340 -0.018 0.000 0.205 374 L C 2.532 179.547 176.870 0.242 0.000 1.086 374 L CA 1.013 56.022 54.840 0.283 0.000 0.778 374 L CB -0.425 41.752 42.059 0.196 0.000 0.928 374 L HN 0.310 nan 8.230 nan 0.000 0.446 375 K N 0.179 120.677 120.400 0.162 0.000 2.001 375 K HA -0.186 4.123 4.320 -0.018 0.000 0.208 375 K C 1.935 178.597 176.600 0.103 0.000 1.048 375 K CA 1.172 57.527 56.287 0.113 0.000 0.932 375 K CB 0.105 32.658 32.500 0.088 0.000 0.715 375 K HN 0.123 nan 8.250 nan 0.000 0.437 376 E N 0.058 120.337 120.200 0.132 0.000 2.160 376 E HA -0.196 4.143 4.350 -0.018 0.000 0.195 376 E C 1.800 178.473 176.600 0.122 0.000 0.991 376 E CA 0.956 57.423 56.400 0.113 0.000 0.810 376 E CB -0.185 29.596 29.700 0.135 0.000 0.742 376 E HN 0.321 nan 8.360 nan 0.000 0.466 377 F N 1.216 121.205 119.950 0.066 0.000 2.084 377 F HA -0.117 4.399 4.527 -0.019 0.000 0.296 377 F C 2.174 177.945 175.800 -0.048 0.000 1.111 377 F CA 1.101 59.131 58.000 0.049 0.000 1.224 377 F CB -0.431 38.660 39.000 0.153 0.000 0.991 377 F HN -0.096 nan 8.300 nan 0.000 0.471 378 L N 0.073 121.206 121.223 -0.150 0.000 2.191 378 L HA -0.213 4.116 4.340 -0.018 0.000 0.212 378 L C 2.350 179.014 176.870 -0.343 0.000 1.103 378 L CA 1.300 55.967 54.840 -0.288 0.000 0.769 378 L CB -0.582 41.439 42.059 -0.063 0.000 0.908 378 L HN 0.171 nan 8.230 nan 0.000 0.438 379 K N -0.429 119.805 120.400 -0.276 0.000 1.991 379 K HA -0.083 4.226 4.320 -0.018 0.000 0.207 379 K C 2.270 178.619 176.600 -0.417 0.000 1.045 379 K CA 1.488 57.535 56.287 -0.399 0.000 0.937 379 K CB -0.197 32.187 32.500 -0.193 0.000 0.720 379 K HN 0.110 nan 8.250 nan 0.000 0.438 380 S N 1.696 117.222 115.700 -0.291 0.000 2.389 380 S HA -0.197 4.262 4.470 -0.018 0.000 0.231 380 S C 1.871 176.252 174.600 -0.364 0.000 1.052 380 S CA 1.322 59.363 58.200 -0.265 0.000 1.053 380 S CB -0.335 62.740 63.200 -0.208 0.000 0.886 380 S HN 0.117 nan 8.310 nan 0.000 0.456 381 L N 1.019 121.921 121.223 -0.535 0.000 2.083 381 L HA 0.045 4.374 4.340 -0.018 0.000 0.209 381 L C 2.064 178.705 176.870 -0.382 0.000 1.083 381 L CA 1.432 55.948 54.840 -0.540 0.000 0.752 381 L CB -0.666 40.964 42.059 -0.715 0.000 0.899 381 L HN 0.306 nan 8.230 nan 0.000 0.433 382 L N -1.489 119.492 121.223 -0.402 0.000 2.109 382 L HA -0.158 4.171 4.340 -0.018 0.000 0.207 382 L C 2.420 179.167 176.870 -0.205 0.000 1.086 382 L CA 0.808 55.452 54.840 -0.328 0.000 0.760 382 L CB -0.444 41.271 42.059 -0.573 0.000 0.910 382 L HN 0.280 nan 8.230 nan 0.000 0.437 383 E N 0.239 120.299 120.200 -0.234 0.000 2.086 383 E HA -0.314 4.024 4.350 -0.018 0.000 0.200 383 E C 2.227 178.787 176.600 -0.067 0.000 1.012 383 E CA 1.553 57.932 56.400 -0.034 0.000 0.812 383 E CB -0.147 29.525 29.700 -0.047 0.000 0.743 383 E HN 0.531 nan 8.360 nan 0.000 0.453 384 A N 1.109 123.848 122.820 -0.135 0.000 1.855 384 A HA -0.170 4.139 4.320 -0.018 0.000 0.215 384 A C 2.179 179.697 177.584 -0.111 0.000 1.191 384 A CA 1.208 53.167 52.037 -0.130 0.000 0.613 384 A CB -0.662 18.230 19.000 -0.181 0.000 0.829 384 A HN 0.171 nan 8.150 nan 0.000 0.442 385 I N -0.315 120.171 120.570 -0.140 0.000 2.264 385 I HA -0.278 3.881 4.170 -0.018 0.000 0.248 385 I C 2.305 178.442 176.117 0.034 0.000 1.111 385 I CA 1.226 62.476 61.300 -0.084 0.000 1.382 385 I CB -0.355 37.604 38.000 -0.068 0.000 1.060 385 I HN 0.344 nan 8.210 nan 0.000 0.418 386 I N 0.752 121.355 120.570 0.056 0.000 2.133 386 I HA -0.311 3.848 4.170 -0.018 0.000 0.238 386 I C 2.686 178.770 176.117 -0.055 0.000 1.074 386 I CA 1.352 62.715 61.300 0.104 0.000 1.342 386 I CB -0.451 37.625 38.000 0.127 0.000 1.053 386 I HN 0.176 nan 8.210 nan 0.000 0.404 387 K N 1.197 121.542 120.400 -0.093 0.000 2.107 387 K HA -0.261 4.048 4.320 -0.018 0.000 0.211 387 K C 1.972 178.535 176.600 -0.062 0.000 1.049 387 K CA 1.714 57.929 56.287 -0.119 0.000 0.927 387 K CB -0.016 32.435 32.500 -0.082 0.000 0.714 387 K HN 0.092 nan 8.250 nan 0.000 0.452 388 K N -0.024 120.374 120.400 -0.003 0.000 2.486 388 K HA 0.019 4.328 4.320 -0.018 0.000 0.194 388 K C 1.723 178.377 176.600 0.090 0.000 1.033 388 K CA 0.651 56.972 56.287 0.057 0.000 1.004 388 K CB 0.152 32.698 32.500 0.077 0.000 0.798 388 K HN 0.397 nan 8.250 nan 0.000 0.495 389 M N 0.200 119.861 119.600 0.102 0.000 2.509 389 M HA 0.021 4.490 4.480 -0.018 0.000 0.250 389 M C 0.137 176.581 176.300 0.239 0.000 1.132 389 M CA 0.406 55.801 55.300 0.158 0.000 1.080 389 M CB 0.255 33.060 32.600 0.341 0.000 1.408 389 M HN -0.149 nan 8.290 nan 0.000 0.484 390 K N 0.276 120.749 120.400 0.122 0.000 2.237 390 K HA 0.191 4.500 4.320 -0.018 0.000 0.270 390 K C -0.737 175.932 176.600 0.115 0.000 1.015 390 K CA -0.307 56.030 56.287 0.085 0.000 0.949 390 K CB 0.691 33.080 32.500 -0.185 0.000 0.976 390 K HN -0.121 nan 8.250 nan 0.000 0.472 391 Y N 1.620 121.888 120.300 -0.053 0.000 2.385 391 Y HA -0.100 4.439 4.550 -0.018 0.000 0.346 391 Y C 0.685 176.436 175.900 -0.248 0.000 1.270 391 Y CA 0.160 58.102 58.100 -0.263 0.000 1.472 391 Y CB 0.496 38.685 38.460 -0.451 0.000 1.354 391 Y HN 0.590 nan 8.280 nan 0.000 0.611 392 D N 1.290 121.650 120.400 -0.067 0.000 2.382 392 D HA 0.056 4.685 4.640 -0.018 0.000 0.259 392 D C 0.897 177.162 176.300 -0.059 0.000 1.224 392 D CA 0.564 54.540 54.000 -0.041 0.000 0.894 392 D CB 0.836 41.636 40.800 0.001 0.000 1.127 392 D HN 0.857 nan 8.370 nan 0.000 0.487 393 E N 1.678 121.820 120.200 -0.097 0.000 2.333 393 E HA -0.118 4.221 4.350 -0.018 0.000 0.198 393 E C 1.931 178.509 176.600 -0.036 0.000 1.007 393 E CA 1.606 57.935 56.400 -0.118 0.000 0.845 393 E CB -0.438 29.191 29.700 -0.118 0.000 0.766 393 E HN 0.688 nan 8.360 nan 0.000 0.507 394 S N -1.053 114.647 115.700 -0.000 0.000 2.517 394 S HA 0.450 4.909 4.470 -0.018 0.000 0.228 394 S C 1.816 176.458 174.600 0.071 0.000 1.060 394 S CA 0.885 59.102 58.200 0.029 0.000 0.937 394 S CB -0.073 63.133 63.200 0.009 0.000 0.840 394 S HN 0.836 nan 8.310 nan 0.000 0.546 395 Q N 0.218 120.064 119.800 0.077 0.000 2.306 395 Q HA 0.635 4.964 4.340 -0.018 0.000 0.241 395 Q C -0.153 175.978 176.000 0.220 0.000 0.948 395 Q CA -0.068 55.804 55.803 0.115 0.000 0.886 395 Q CB -0.506 28.284 28.738 0.086 0.000 1.227 395 Q HN 1.083 nan 8.270 nan 0.000 0.457 396 E N 0.884 121.243 120.200 0.266 0.000 2.359 396 E HA 0.703 5.042 4.350 -0.018 0.000 0.266 396 E C -0.576 176.255 176.600 0.385 0.000 0.920 396 E CA -0.509 56.151 56.400 0.435 0.000 0.788 396 E CB 0.963 30.876 29.700 0.355 0.000 1.279 396 E HN 1.221 nan 8.360 nan 0.000 0.438 397 W N 2.592 123.970 121.300 0.131 0.000 2.213 397 W HA 0.645 5.294 4.660 -0.019 0.000 0.356 397 W C -0.840 175.667 176.519 -0.020 0.000 1.273 397 W CA 0.224 57.610 57.345 0.068 0.000 1.391 397 W CB 0.581 30.067 29.460 0.043 0.000 1.187 397 W HN 0.820 nan 8.180 nan 0.000 0.649 398 D N -1.289 118.628 120.400 -0.805 0.000 2.744 398 D HA 0.306 4.935 4.640 -0.018 0.000 0.304 398 D C -0.379 175.231 176.300 -1.150 0.000 1.179 398 D CA 0.191 53.637 54.000 -0.924 0.000 1.024 398 D CB 0.607 41.172 40.800 -0.393 0.000 1.453 398 D HN 0.432 nan 8.370 nan 0.000 0.529 399 D N -1.049 118.918 120.400 -0.721 0.000 2.395 399 D HA 0.124 4.753 4.640 -0.018 0.000 0.213 399 D C -0.004 176.139 176.300 -0.263 0.000 1.110 399 D CA -0.181 53.499 54.000 -0.534 0.000 0.835 399 D CB -0.260 40.303 40.800 -0.396 0.000 0.965 399 D HN 0.478 nan 8.370 nan 0.000 0.505 400 D N 0.094 120.369 120.400 -0.208 0.000 2.308 400 D HA 0.121 4.750 4.640 -0.018 0.000 0.251 400 D C -1.671 174.590 176.300 -0.064 0.000 1.127 400 D CA -1.607 52.326 54.000 -0.111 0.000 0.876 400 D CB 2.059 42.805 40.800 -0.090 0.000 1.176 400 D HN 0.119 nan 8.370 nan 0.000 0.446 401 P HA 0.025 nan 4.420 nan 0.000 0.235 401 P C 0.746 178.052 177.300 0.010 0.000 1.177 401 P CA 0.866 63.966 63.100 0.001 0.000 0.785 401 P CB 0.221 31.926 31.700 0.007 0.000 0.885 402 D N 0.509 120.908 120.400 -0.000 0.000 2.338 402 D HA -0.011 4.618 4.640 -0.018 0.000 0.224 402 D C 1.664 177.968 176.300 0.007 0.000 0.967 402 D CA 0.923 54.926 54.000 0.006 0.000 0.896 402 D CB -0.427 40.374 40.800 0.001 0.000 1.028 402 D HN 0.266 nan 8.370 nan 0.000 0.493 403 S N -1.228 114.472 115.700 -0.001 0.000 2.588 403 S HA 0.510 4.969 4.470 -0.018 0.000 0.245 403 S C 0.326 174.929 174.600 0.005 0.000 1.021 403 S CA 0.692 58.894 58.200 0.003 0.000 1.006 403 S CB 0.054 63.252 63.200 -0.004 0.000 0.830 403 S HN 0.781 nan 8.310 nan 0.000 0.468 404 E N 0.234 120.440 120.200 0.010 0.000 2.175 404 E HA 0.657 4.996 4.350 -0.018 0.000 0.278 404 E C 0.580 177.214 176.600 0.056 0.000 0.969 404 E CA -0.332 56.079 56.400 0.019 0.000 0.796 404 E CB 0.238 29.940 29.700 0.002 0.000 1.104 404 E HN 0.576 nan 8.360 nan 0.000 0.395 405 E N 0.511 120.755 120.200 0.073 0.000 2.358 405 E HA 0.080 4.419 4.350 -0.018 0.000 0.195 405 E C 1.986 178.681 176.600 0.158 0.000 1.010 405 E CA 1.403 57.862 56.400 0.098 0.000 0.856 405 E CB -0.950 28.804 29.700 0.090 0.000 0.795 405 E HN 0.941 nan 8.360 nan 0.000 0.504 406 E N 0.448 120.761 120.200 0.190 0.000 2.171 406 E HA -0.012 4.327 4.350 -0.018 0.000 0.197 406 E C 2.496 179.266 176.600 0.283 0.000 0.997 406 E CA 1.945 58.529 56.400 0.307 0.000 0.810 406 E CB -1.031 28.898 29.700 0.382 0.000 0.738 406 E HN 0.941 nan 8.360 nan 0.000 0.467 407 A N 1.533 124.463 122.820 0.183 0.000 1.883 407 A HA -0.207 4.101 4.320 -0.018 0.000 0.217 407 A C 2.311 179.965 177.584 0.116 0.000 1.186 407 A CA 2.313 54.431 52.037 0.136 0.000 0.624 407 A CB -0.476 18.580 19.000 0.093 0.000 0.822 407 A HN 0.734 nan 8.150 nan 0.000 0.444 408 E N -1.539 118.730 120.200 0.115 0.000 2.152 408 E HA -0.132 4.207 4.350 -0.018 0.000 0.192 408 E C 1.719 178.380 176.600 0.103 0.000 0.983 408 E CA 1.234 57.685 56.400 0.085 0.000 0.818 408 E CB -0.556 29.185 29.700 0.068 0.000 0.758 408 E HN 0.571 nan 8.360 nan 0.000 0.467 409 F N 2.016 121.971 119.950 0.009 0.000 2.113 409 F HA -0.115 4.401 4.527 -0.019 0.000 0.297 409 F C 2.161 177.945 175.800 -0.027 0.000 1.103 409 F CA 1.505 59.486 58.000 -0.031 0.000 1.248 409 F CB -0.098 38.854 39.000 -0.080 0.000 0.999 409 F HN -0.114 nan 8.300 nan 0.000 0.475 410 Q N 0.607 120.389 119.800 -0.029 0.000 2.226 410 Q HA -0.150 4.179 4.340 -0.018 0.000 0.204 410 Q C 2.433 178.367 176.000 -0.108 0.000 0.975 410 Q CA 1.765 57.498 55.803 -0.116 0.000 0.866 410 Q CB -0.919 27.865 28.738 0.077 0.000 0.915 410 Q HN 0.737 nan 8.270 nan 0.000 0.440 411 E N 0.415 120.592 120.200 -0.039 0.000 2.016 411 E HA -0.139 4.200 4.350 -0.018 0.000 0.190 411 E C 1.883 178.479 176.600 -0.007 0.000 0.985 411 E CA 1.101 57.498 56.400 -0.005 0.000 0.802 411 E CB -0.965 28.747 29.700 0.020 0.000 0.762 411 E HN 0.515 nan 8.360 nan 0.000 0.448 412 M N -0.221 119.364 119.600 -0.024 0.000 2.426 412 M HA -0.112 4.357 4.480 -0.018 0.000 0.261 412 M C 2.532 178.847 176.300 0.025 0.000 1.068 412 M CA 1.622 56.963 55.300 0.069 0.000 1.066 412 M CB -0.138 32.477 32.600 0.026 0.000 1.399 412 M HN 0.148 nan 8.290 nan 0.000 0.449 413 R N -0.725 119.667 120.500 -0.181 0.000 2.090 413 R HA -0.090 4.239 4.340 -0.018 0.000 0.219 413 R C 2.364 178.663 176.300 -0.002 0.000 1.100 413 R CA 1.139 57.124 56.100 -0.192 0.000 0.991 413 R CB -0.055 29.970 30.300 -0.459 0.000 0.893 413 R HN 0.220 nan 8.270 nan 0.000 0.443 414 K N 1.185 121.585 120.400 0.000 0.000 2.209 414 K HA -0.122 4.187 4.320 -0.018 0.000 0.204 414 K C 1.667 178.270 176.600 0.005 0.000 1.048 414 K CA 1.462 57.769 56.287 0.033 0.000 0.940 414 K CB -0.030 32.486 32.500 0.026 0.000 0.729 414 K HN 0.273 nan 8.250 nan 0.000 0.451 415 K N -0.186 120.235 120.400 0.034 0.000 2.044 415 K HA 0.167 4.476 4.320 -0.018 0.000 0.204 415 K C 2.340 178.875 176.600 -0.109 0.000 1.045 415 K CA 1.352 57.608 56.287 -0.052 0.000 0.951 415 K CB -0.317 32.318 32.500 0.225 0.000 0.738 415 K HN 0.139 nan 8.250 nan 0.000 0.443 416 L N 1.799 123.143 121.223 0.203 0.000 2.043 416 L HA -0.283 4.046 4.340 -0.018 0.000 0.212 416 L C 2.665 179.681 176.870 0.244 0.000 1.075 416 L CA 1.547 56.602 54.840 0.358 0.000 0.752 416 L CB -0.465 41.713 42.059 0.198 0.000 0.891 416 L HN 0.235 nan 8.230 nan 0.000 0.432 417 K N 0.912 121.400 120.400 0.147 0.000 2.032 417 K HA -0.213 4.096 4.320 -0.018 0.000 0.209 417 K C 1.994 178.604 176.600 0.017 0.000 1.048 417 K CA 1.689 58.054 56.287 0.130 0.000 0.927 417 K CB -0.239 32.348 32.500 0.145 0.000 0.712 417 K HN 0.223 nan 8.250 nan 0.000 0.441 418 I N 0.365 120.868 120.570 -0.112 0.000 2.208 418 I HA -0.273 3.886 4.170 -0.018 0.000 0.245 418 I C 1.973 177.953 176.117 -0.229 0.000 1.097 418 I CA 1.446 62.611 61.300 -0.226 0.000 1.363 418 I CB -0.359 37.423 38.000 -0.364 0.000 1.051 418 I HN 0.144 nan 8.210 nan 0.000 0.413 419 F N 0.905 120.799 119.950 -0.094 0.000 2.126 419 F HA -0.260 4.256 4.527 -0.019 0.000 0.299 419 F C 2.776 178.528 175.800 -0.080 0.000 1.096 419 F CA 1.331 59.260 58.000 -0.119 0.000 1.255 419 F CB -0.600 38.290 39.000 -0.184 0.000 0.997 419 F HN 0.081 nan 8.300 nan 0.000 0.479 420 Q N 0.316 120.222 119.800 0.177 0.000 2.030 420 Q HA -0.228 4.101 4.340 -0.018 0.000 0.204 420 Q C 1.790 177.713 176.000 -0.129 0.000 0.986 420 Q CA 1.835 57.747 55.803 0.182 0.000 0.843 420 Q CB -0.484 28.453 28.738 0.332 0.000 0.904 420 Q HN 0.367 nan 8.270 nan 0.000 0.420 421 D N 0.200 120.499 120.400 -0.168 0.000 2.106 421 D HA -0.142 4.487 4.640 -0.018 0.000 0.191 421 D C 1.930 178.086 176.300 -0.240 0.000 0.997 421 D CA 1.772 55.606 54.000 -0.277 0.000 0.834 421 D CB -0.521 40.165 40.800 -0.190 0.000 0.956 421 D HN 0.192 nan 8.370 nan 0.000 0.448 422 T N 0.428 114.896 114.554 -0.143 0.000 2.849 422 T HA -0.073 4.266 4.350 -0.018 0.000 0.270 422 T C 2.100 176.751 174.700 -0.082 0.000 1.066 422 T CA 0.584 62.625 62.100 -0.097 0.000 1.130 422 T CB -0.118 68.719 68.868 -0.052 0.000 0.864 422 T HN 0.188 nan 8.240 nan 0.000 0.481 423 I N 1.054 121.576 120.570 -0.079 0.000 2.480 423 I HA -0.049 4.110 4.170 -0.018 0.000 0.251 423 I C 2.513 178.570 176.117 -0.099 0.000 1.124 423 I CA 0.780 62.058 61.300 -0.036 0.000 1.444 423 I CB -0.337 37.693 38.000 0.050 0.000 1.098 423 I HN 0.304 nan 8.210 nan 0.000 0.428 424 N N 0.135 118.623 118.700 -0.353 0.000 2.289 424 N HA -0.203 4.525 4.740 -0.018 0.000 0.184 424 N C 1.987 177.346 175.510 -0.250 0.000 1.016 424 N CA 1.045 53.791 53.050 -0.507 0.000 0.872 424 N CB 0.186 37.992 38.487 -1.135 0.000 0.973 424 N HN 0.171 nan 8.380 nan 0.000 0.433 425 S N 0.606 116.183 115.700 -0.205 0.000 2.345 425 S HA 0.012 4.471 4.470 -0.018 0.000 0.219 425 S C 1.949 176.507 174.600 -0.070 0.000 1.031 425 S CA 0.526 58.649 58.200 -0.129 0.000 0.984 425 S CB -0.224 62.907 63.200 -0.115 0.000 0.874 425 S HN 0.314 nan 8.310 nan 0.000 0.451 426 I N 0.795 121.338 120.570 -0.046 0.000 2.194 426 I HA -0.107 4.052 4.170 -0.018 0.000 0.246 426 I C 0.530 176.650 176.117 0.005 0.000 1.093 426 I CA 1.237 62.532 61.300 -0.007 0.000 1.355 426 I CB -0.046 37.964 38.000 0.017 0.000 1.046 426 I HN 0.362 nan 8.210 nan 0.000 0.413 427 D N -0.763 119.641 120.400 0.008 0.000 2.591 427 D HA 0.058 4.687 4.640 -0.018 0.000 0.222 427 D C 0.204 176.536 176.300 0.053 0.000 1.360 427 D CA -0.028 53.992 54.000 0.032 0.000 0.967 427 D CB 1.628 42.462 40.800 0.056 0.000 1.456 427 D HN -0.166 nan 8.370 nan 0.000 0.588 428 S N 2.070 117.790 115.700 0.033 0.000 2.436 428 S HA -0.106 4.353 4.470 -0.018 0.000 0.228 428 S C 1.845 176.523 174.600 0.130 0.000 1.014 428 S CA 1.795 60.030 58.200 0.058 0.000 0.950 428 S CB 0.157 63.354 63.200 -0.005 0.000 0.784 428 S HN 0.551 nan 8.310 nan 0.000 0.504 429 S N 2.073 117.831 115.700 0.096 0.000 2.348 429 S HA -0.086 4.373 4.470 -0.018 0.000 0.221 429 S C 1.843 176.524 174.600 0.135 0.000 1.033 429 S CA 1.225 59.483 58.200 0.097 0.000 1.010 429 S CB -1.042 62.196 63.200 0.063 0.000 0.891 429 S HN 0.438 nan 8.310 nan 0.000 0.442 430 L N 0.781 122.086 121.223 0.137 0.000 2.079 430 L HA 0.066 4.395 4.340 -0.018 0.000 0.210 430 L C 2.084 179.080 176.870 0.209 0.000 1.081 430 L CA 1.501 56.429 54.840 0.148 0.000 0.752 430 L CB -1.301 40.825 42.059 0.112 0.000 0.896 430 L HN 0.339 nan 8.230 nan 0.000 0.433 431 F N -0.287 119.718 119.950 0.093 0.000 2.031 431 F HA -0.208 4.308 4.527 -0.019 0.000 0.295 431 F C 2.609 178.539 175.800 0.216 0.000 1.133 431 F CA 1.934 60.013 58.000 0.132 0.000 1.188 431 F CB -0.729 38.321 39.000 0.084 0.000 0.974 431 F HN 0.086 nan 8.300 nan 0.000 0.473 432 S N 0.149 116.069 115.700 0.367 0.000 2.377 432 S HA -0.310 4.149 4.470 -0.018 0.000 0.224 432 S C 2.309 176.999 174.600 0.151 0.000 1.042 432 S CA 2.251 60.638 58.200 0.312 0.000 1.086 432 S CB -1.009 62.353 63.200 0.270 0.000 0.995 432 S HN 0.669 nan 8.310 nan 0.000 0.428 433 S N 0.788 116.564 115.700 0.126 0.000 2.369 433 S HA -0.276 4.183 4.470 -0.018 0.000 0.225 433 S C 1.732 176.382 174.600 0.083 0.000 1.043 433 S CA 1.855 60.114 58.200 0.099 0.000 1.074 433 S CB -1.215 62.042 63.200 0.095 0.000 0.962 433 S HN 0.530 nan 8.310 nan 0.000 0.433 434 Y N 1.651 121.932 120.300 -0.032 0.000 2.053 434 Y HA -0.128 4.411 4.550 -0.018 0.000 0.277 434 Y C 2.822 178.632 175.900 -0.150 0.000 1.159 434 Y CA 2.186 60.233 58.100 -0.089 0.000 1.125 434 Y CB -0.406 37.983 38.460 -0.120 0.000 0.969 434 Y HN 0.184 nan 8.280 nan 0.000 0.492 435 M N -1.361 118.152 119.600 -0.145 0.000 2.267 435 M HA -0.266 4.203 4.480 -0.018 0.000 0.263 435 M C 1.982 178.117 176.300 -0.275 0.000 1.063 435 M CA 1.534 56.671 55.300 -0.272 0.000 1.090 435 M CB -1.349 31.004 32.600 -0.413 0.000 1.392 435 M HN 0.509 nan 8.290 nan 0.000 0.422 436 Y N 0.531 120.637 120.300 -0.323 0.000 2.153 436 Y HA -0.152 4.387 4.550 -0.018 0.000 0.289 436 Y C 2.452 178.197 175.900 -0.258 0.000 1.127 436 Y CA 1.943 59.849 58.100 -0.324 0.000 1.131 436 Y CB -0.395 37.926 38.460 -0.233 0.000 0.995 436 Y HN 0.184 nan 8.280 nan 0.000 0.505 437 S N 0.870 116.406 115.700 -0.275 0.000 2.351 437 S HA -0.260 4.199 4.470 -0.018 0.000 0.220 437 S C 2.324 176.709 174.600 -0.359 0.000 1.035 437 S CA 1.345 59.334 58.200 -0.350 0.000 1.031 437 S CB -1.205 61.809 63.200 -0.311 0.000 0.928 437 S HN 0.657 nan 8.310 nan 0.000 0.433 438 A N 1.791 124.399 122.820 -0.354 0.000 1.896 438 A HA -0.207 4.102 4.320 -0.018 0.000 0.220 438 A C 2.118 179.659 177.584 -0.072 0.000 1.206 438 A CA 1.967 53.893 52.037 -0.185 0.000 0.647 438 A CB -1.041 17.912 19.000 -0.078 0.000 0.828 438 A HN 0.515 nan 8.150 nan 0.000 0.455 439 I N -1.172 119.279 120.570 -0.198 0.000 2.394 439 I HA -0.184 3.975 4.170 -0.018 0.000 0.251 439 I C 2.562 178.530 176.117 -0.247 0.000 1.136 439 I CA 1.623 62.790 61.300 -0.222 0.000 1.425 439 I CB -0.647 37.143 38.000 -0.350 0.000 1.079 439 I HN 0.300 nan 8.210 nan 0.000 0.425 440 T N 0.507 114.831 114.554 -0.384 0.000 2.701 440 T HA -0.126 4.213 4.350 -0.018 0.000 0.263 440 T C 2.113 176.678 174.700 -0.225 0.000 1.040 440 T CA 1.935 63.808 62.100 -0.377 0.000 1.147 440 T CB -0.123 68.408 68.868 -0.562 0.000 0.865 440 T HN 0.424 nan 8.240 nan 0.000 0.426 441 S N 2.408 117.990 115.700 -0.198 0.000 2.343 441 S HA -0.158 4.301 4.470 -0.018 0.000 0.219 441 S C 2.476 177.017 174.600 -0.098 0.000 1.033 441 S CA 1.468 59.585 58.200 -0.138 0.000 1.014 441 S CB -0.958 62.158 63.200 -0.141 0.000 0.915 441 S HN 0.679 nan 8.310 nan 0.000 0.435 442 S N 3.531 119.190 115.700 -0.069 0.000 2.378 442 S HA -0.186 4.273 4.470 -0.018 0.000 0.229 442 S C 1.875 176.452 174.600 -0.037 0.000 1.052 442 S CA 1.609 59.792 58.200 -0.028 0.000 1.084 442 S CB -1.249 62.017 63.200 0.109 0.000 0.950 442 S HN 0.431 nan 8.310 nan 0.000 0.440 443 L N 1.392 122.587 121.223 -0.048 0.000 1.989 443 L HA -0.147 4.182 4.340 -0.018 0.000 0.211 443 L C 3.034 179.873 176.870 -0.052 0.000 1.071 443 L CA 1.805 56.614 54.840 -0.052 0.000 0.749 443 L CB -1.090 40.925 42.059 -0.074 0.000 0.890 443 L HN 0.400 nan 8.230 nan 0.000 0.431 444 S N -0.632 115.027 115.700 -0.068 0.000 2.353 444 S HA -0.200 4.258 4.470 -0.018 0.000 0.222 444 S C 1.943 176.514 174.600 -0.048 0.000 1.035 444 S CA 2.017 60.182 58.200 -0.059 0.000 1.025 444 S CB -0.559 62.598 63.200 -0.071 0.000 0.902 444 S HN 0.472 nan 8.310 nan 0.000 0.440 445 T N 2.588 117.108 114.554 -0.056 0.000 2.720 445 T HA -0.062 4.277 4.350 -0.018 0.000 0.268 445 T C 2.157 176.832 174.700 -0.042 0.000 1.037 445 T CA 1.198 63.266 62.100 -0.053 0.000 1.144 445 T CB -0.629 68.198 68.868 -0.067 0.000 0.864 445 T HN 0.482 nan 8.240 nan 0.000 0.444 446 A N 1.715 124.512 122.820 -0.039 0.000 1.948 446 A HA 0.034 4.342 4.320 -0.018 0.000 0.220 446 A C 2.644 180.227 177.584 -0.001 0.000 1.177 446 A CA 1.896 53.920 52.037 -0.021 0.000 0.636 446 A CB -1.149 17.841 19.000 -0.016 0.000 0.815 446 A HN 0.543 nan 8.150 nan 0.000 0.449 447 A N -1.342 121.473 122.820 -0.008 0.000 2.131 447 A HA -0.048 4.261 4.320 -0.018 0.000 0.220 447 A C 2.012 179.592 177.584 -0.007 0.000 1.158 447 A CA 1.977 54.012 52.037 -0.004 0.000 0.665 447 A CB -0.920 18.073 19.000 -0.012 0.000 0.795 447 A HN 0.420 nan 8.150 nan 0.000 0.460 448 T N -0.251 114.294 114.554 -0.014 0.000 3.129 448 T HA 0.335 4.674 4.350 -0.018 0.000 0.251 448 T C 0.295 174.989 174.700 -0.010 0.000 1.117 448 T CA 0.335 62.425 62.100 -0.016 0.000 1.034 448 T CB -0.323 68.530 68.868 -0.025 0.000 0.968 448 T HN 0.289 nan 8.240 nan 0.000 0.526 449 L N 1.380 122.602 121.223 -0.001 0.000 2.354 449 L HA 0.496 4.825 4.340 -0.018 0.000 0.269 449 L C 0.516 177.401 176.870 0.024 0.000 1.005 449 L CA -1.136 53.709 54.840 0.008 0.000 0.819 449 L CB 1.775 43.837 42.059 0.005 0.000 1.311 449 L HN 0.036 nan 8.230 nan 0.000 0.423 450 S N 1.347 117.061 115.700 0.024 0.000 2.573 450 S HA 0.150 4.609 4.470 -0.018 0.000 0.277 450 S C -1.484 173.145 174.600 0.048 0.000 1.346 450 S CA -0.839 57.374 58.200 0.022 0.000 1.034 450 S CB 0.505 63.716 63.200 0.018 0.000 0.879 450 S HN 0.588 nan 8.310 nan 0.000 0.528 451 P HA -0.222 nan 4.420 nan 0.000 0.217 451 P C 1.249 178.627 177.300 0.130 0.000 1.148 451 P CA 1.593 64.679 63.100 -0.024 0.000 0.828 451 P CB 0.063 31.623 31.700 -0.233 0.000 0.783 452 E N 0.084 120.347 120.200 0.106 0.000 2.110 452 E HA -0.150 4.189 4.350 -0.018 0.000 0.193 452 E C 1.198 177.968 176.600 0.283 0.000 0.988 452 E CA 0.970 57.471 56.400 0.168 0.000 0.804 452 E CB -0.144 29.614 29.700 0.096 0.000 0.745 452 E HN 0.209 nan 8.360 nan 0.000 0.458 453 N N -0.193 118.625 118.700 0.196 0.000 2.205 453 N HA -0.017 4.712 4.740 -0.018 0.000 0.201 453 N C 1.126 176.673 175.510 0.063 0.000 1.128 453 N CA 0.628 53.766 53.050 0.147 0.000 0.867 453 N CB 1.091 39.616 38.487 0.063 0.000 0.996 453 N HN 0.116 nan 8.380 nan 0.000 0.503 454 S N -0.090 115.697 115.700 0.145 0.000 2.524 454 S HA -0.010 4.449 4.470 -0.018 0.000 0.216 454 S C 1.816 176.400 174.600 -0.027 0.000 0.987 454 S CA -0.589 57.650 58.200 0.065 0.000 0.909 454 S CB -0.498 62.788 63.200 0.143 0.000 0.781 454 S HN 0.504 nan 8.310 nan 0.000 0.521 455 W N 2.454 123.699 121.300 -0.093 0.000 2.333 455 W HA -0.215 4.434 4.660 -0.019 0.000 0.316 455 W C 1.384 177.694 176.519 -0.348 0.000 1.215 455 W CA 1.452 58.564 57.345 -0.388 0.000 1.278 455 W CB -1.396 27.739 29.460 -0.541 0.000 1.154 455 W HN 0.301 nan 8.180 nan 0.000 0.486 456 Q N 1.069 119.845 119.800 -1.706 0.000 2.096 456 Q HA -0.228 4.101 4.340 -0.018 0.000 0.208 456 Q C 2.339 178.045 176.000 -0.491 0.000 0.993 456 Q CA 2.639 57.632 55.803 -1.350 0.000 0.862 456 Q CB -1.210 26.848 28.738 -1.134 0.000 0.915 456 Q HN 0.237 nan 8.270 nan 0.000 0.416 457 L N -0.034 120.969 121.223 -0.367 0.000 2.012 457 L HA -0.147 4.181 4.340 -0.018 0.000 0.210 457 L C 2.037 178.897 176.870 -0.016 0.000 1.073 457 L CA 1.658 56.411 54.840 -0.146 0.000 0.748 457 L CB -0.524 41.449 42.059 -0.143 0.000 0.891 457 L HN 0.289 nan 8.230 nan 0.000 0.431 458 I N -0.939 119.577 120.570 -0.090 0.000 2.226 458 I HA -0.256 3.903 4.170 -0.018 0.000 0.245 458 I C 2.501 178.607 176.117 -0.018 0.000 1.100 458 I CA 1.210 62.473 61.300 -0.062 0.000 1.374 458 I CB -0.437 37.472 38.000 -0.152 0.000 1.057 458 I HN 0.368 nan 8.210 nan 0.000 0.413 459 E N 1.210 121.381 120.200 -0.048 0.000 2.118 459 E HA -0.279 4.060 4.350 -0.018 0.000 0.195 459 E C 2.084 178.781 176.600 0.162 0.000 0.992 459 E CA 1.568 57.985 56.400 0.028 0.000 0.804 459 E CB -0.253 29.433 29.700 -0.024 0.000 0.741 459 E HN 0.438 nan 8.360 nan 0.000 0.458 460 F N 1.283 121.250 119.950 0.027 0.000 2.031 460 F HA -0.150 4.366 4.527 -0.018 0.000 0.295 460 F C 2.334 178.207 175.800 0.122 0.000 1.133 460 F CA 2.208 60.270 58.000 0.103 0.000 1.188 460 F CB -1.013 38.002 39.000 0.025 0.000 0.974 460 F HN 0.046 nan 8.300 nan 0.000 0.473 461 A N 1.050 123.817 122.820 -0.089 0.000 1.903 461 A HA -0.214 4.095 4.320 -0.018 0.000 0.219 461 A C 2.362 179.843 177.584 -0.171 0.000 1.191 461 A CA 2.247 54.141 52.037 -0.238 0.000 0.638 461 A CB -1.455 17.508 19.000 -0.062 0.000 0.823 461 A HN 0.569 nan 8.150 nan 0.000 0.451 462 L N -2.292 118.912 121.223 -0.031 0.000 2.201 462 L HA -0.159 4.170 4.340 -0.018 0.000 0.212 462 L C 2.582 179.509 176.870 0.096 0.000 1.105 462 L CA 1.525 56.388 54.840 0.039 0.000 0.775 462 L CB -0.616 41.494 42.059 0.085 0.000 0.913 462 L HN 0.624 nan 8.230 nan 0.000 0.440 463 Y N 1.213 121.498 120.300 -0.026 0.000 2.133 463 Y HA -0.198 4.341 4.550 -0.018 0.000 0.287 463 Y C 2.629 178.550 175.900 0.034 0.000 1.134 463 Y CA 1.417 59.545 58.100 0.047 0.000 1.133 463 Y CB -0.121 38.372 38.460 0.056 0.000 0.987 463 Y HN 0.067 nan 8.280 nan 0.000 0.502 464 E N -0.256 119.766 120.200 -0.297 0.000 2.097 464 E HA -0.209 4.130 4.350 -0.018 0.000 0.196 464 E C 2.171 178.666 176.600 -0.175 0.000 1.000 464 E CA 1.920 58.099 56.400 -0.368 0.000 0.804 464 E CB -0.702 28.651 29.700 -0.579 0.000 0.740 464 E HN 0.498 nan 8.360 nan 0.000 0.454 465 T N 0.762 115.225 114.554 -0.151 0.000 2.622 465 T HA -0.209 4.130 4.350 -0.018 0.000 0.266 465 T C 1.695 176.446 174.700 0.085 0.000 1.047 465 T CA 1.603 63.659 62.100 -0.074 0.000 1.159 465 T CB -0.630 68.179 68.868 -0.099 0.000 0.863 465 T HN 0.231 nan 8.240 nan 0.000 0.422 466 Y N 2.401 122.698 120.300 -0.005 0.000 2.102 466 Y HA -0.221 4.318 4.550 -0.019 0.000 0.280 466 Y C 2.066 178.011 175.900 0.077 0.000 1.178 466 Y CA 1.743 59.909 58.100 0.111 0.000 1.146 466 Y CB -0.528 37.967 38.460 0.058 0.000 0.968 466 Y HN 0.422 nan 8.280 nan 0.000 0.504 467 I N -3.341 117.140 120.570 -0.147 0.000 3.059 467 I HA -0.037 4.122 4.170 -0.018 0.000 0.270 467 I C 2.150 178.229 176.117 -0.063 0.000 1.238 467 I CA 0.675 61.843 61.300 -0.221 0.000 1.478 467 I CB -0.887 36.932 38.000 -0.302 0.000 1.097 467 I HN 0.165 nan 8.210 nan 0.000 0.455 468 F N 3.400 123.288 119.950 -0.103 0.000 2.091 468 F HA 0.045 4.560 4.527 -0.019 0.000 0.299 468 F C 1.702 177.497 175.800 -0.009 0.000 1.103 468 F CA 1.040 59.027 58.000 -0.020 0.000 1.228 468 F CB -0.712 38.252 39.000 -0.060 0.000 0.984 468 F HN 0.073 nan 8.300 nan 0.000 0.477 469 G N 0.403 109.156 108.800 -0.078 0.000 2.390 469 G HA2 0.413 4.361 3.960 -0.018 0.000 0.270 469 G HA3 0.413 4.361 3.960 -0.018 0.000 0.270 469 G C -0.461 174.337 174.900 -0.169 0.000 1.211 469 G CA -0.048 44.947 45.100 -0.176 0.000 0.842 469 G HN 0.642 nan 8.290 nan 0.000 0.519 470 E N 0.401 120.458 120.200 -0.239 0.000 2.438 470 E HA 0.320 4.659 4.350 -0.018 0.000 0.261 470 E C 1.786 178.279 176.600 -0.177 0.000 1.103 470 E CA 0.245 56.523 56.400 -0.204 0.000 0.959 470 E CB 0.046 29.631 29.700 -0.193 0.000 0.958 470 E HN 0.998 nan 8.360 nan 0.000 0.447 471 G N -0.246 108.453 108.800 -0.170 0.000 2.505 471 G HA2 0.151 4.100 3.960 -0.018 0.000 0.220 471 G HA3 0.151 4.100 3.960 -0.018 0.000 0.220 471 G C 1.165 175.978 174.900 -0.145 0.000 1.145 471 G CA 2.046 47.045 45.100 -0.168 0.000 0.761 471 G HN 1.578 nan 8.290 nan 0.000 0.571 472 L N -1.408 119.749 121.223 -0.110 0.000 2.387 472 L HA 1.021 5.350 4.340 -0.018 0.000 0.266 472 L C 0.549 177.375 176.870 -0.074 0.000 1.059 472 L CA -0.333 54.461 54.840 -0.076 0.000 0.801 472 L CB 0.084 42.110 42.059 -0.055 0.000 1.223 472 L HN 0.845 nan 8.230 nan 0.000 0.456 473 R N 0.556 121.040 120.500 -0.028 0.000 2.771 473 R HA 0.879 5.208 4.340 -0.018 0.000 0.274 473 R C 0.057 176.381 176.300 0.040 0.000 0.987 473 R CA -0.258 55.839 56.100 -0.006 0.000 0.908 473 R CB 1.396 31.742 30.300 0.078 0.000 1.213 473 R HN 2.516 nan 8.270 nan 0.000 0.468 474 G N 1.891 110.712 108.800 0.034 0.000 2.609 474 G HA2 0.593 4.542 3.960 -0.018 0.000 0.308 474 G HA3 0.593 4.542 3.960 -0.018 0.000 0.308 474 G C -1.485 173.487 174.900 0.119 0.000 1.369 474 G CA -1.226 43.908 45.100 0.058 0.000 0.958 474 G HN 0.510 nan 8.290 nan 0.000 0.499 475 P HA -0.256 nan 4.420 nan 0.000 0.219 475 P C 1.177 178.575 177.300 0.163 0.000 1.151 475 P CA 2.173 65.433 63.100 0.267 0.000 0.850 475 P CB 0.012 31.861 31.700 0.250 0.000 0.784 476 D N -0.431 120.011 120.400 0.070 0.000 2.378 476 D HA 0.092 4.721 4.640 -0.018 0.000 0.222 476 D C 2.069 178.347 176.300 -0.037 0.000 0.980 476 D CA 0.972 54.977 54.000 0.009 0.000 0.907 476 D CB -0.644 40.155 40.800 -0.003 0.000 0.899 476 D HN 0.360 nan 8.370 nan 0.000 0.527 477 A N -0.884 121.894 122.820 -0.071 0.000 2.066 477 A HA 0.311 4.620 4.320 -0.018 0.000 0.218 477 A C 1.689 179.048 177.584 -0.375 0.000 1.157 477 A CA 0.920 52.804 52.037 -0.255 0.000 0.670 477 A CB -0.390 18.377 19.000 -0.387 0.000 0.804 477 A HN 0.504 nan 8.150 nan 0.000 0.453 478 F N -1.608 118.273 119.950 -0.115 0.000 2.383 478 F HA 0.413 4.929 4.527 -0.018 0.000 0.287 478 F C 1.054 176.759 175.800 -0.158 0.000 1.069 478 F CA 0.867 58.800 58.000 -0.113 0.000 1.402 478 F CB -0.066 38.836 39.000 -0.163 0.000 1.116 478 F HN 0.139 nan 8.300 nan 0.000 0.549 479 F N -0.092 119.825 119.950 -0.054 0.000 2.613 479 F HA 0.664 5.180 4.527 -0.018 0.000 0.310 479 F C -0.039 175.724 175.800 -0.062 0.000 1.085 479 F CA -1.409 56.545 58.000 -0.076 0.000 0.945 479 F CB -0.243 38.678 39.000 -0.132 0.000 1.298 479 F HN 0.037 nan 8.300 nan 0.000 0.455 484 K N 0.159 120.557 120.400 -0.003 0.000 2.975 484 K HA -0.049 4.259 4.320 -0.018 0.000 0.257 484 K C 0.647 177.242 176.600 -0.008 0.000 1.005 484 K CA 1.676 57.961 56.287 -0.004 0.000 0.738 484 K CB -3.196 29.308 32.500 0.007 0.000 1.236 484 K HN 2.091 nan 8.250 nan 0.000 0.483 485 S N 0.781 116.474 115.700 -0.012 0.000 2.537 485 S HA 0.637 5.096 4.470 -0.018 0.000 0.275 485 S C -1.654 172.935 174.600 -0.019 0.000 1.272 485 S CA -0.974 57.218 58.200 -0.014 0.000 1.050 485 S CB 1.581 64.769 63.200 -0.019 0.000 0.961 485 S HN 0.534 nan 8.310 nan 0.000 0.496 486 P HA 0.126 nan 4.420 nan 0.000 0.271 486 P C 0.424 177.711 177.300 -0.022 0.000 1.216 486 P CA -0.160 62.941 63.100 0.001 0.000 0.771 486 P CB 0.366 32.087 31.700 0.036 0.000 0.864 487 T N -0.513 114.028 114.554 -0.023 0.000 2.802 487 T HA 0.052 4.391 4.350 -0.018 0.000 0.305 487 T C 1.616 176.291 174.700 -0.042 0.000 1.053 487 T CA -0.655 61.421 62.100 -0.040 0.000 1.058 487 T CB -0.103 68.732 68.868 -0.055 0.000 0.988 487 T HN 0.123 nan 8.240 nan 0.000 0.539 488 V N 1.740 121.630 119.914 -0.041 0.000 2.324 488 V HA -0.177 3.932 4.120 -0.018 0.000 0.250 488 V C 2.555 178.645 176.094 -0.006 0.000 1.060 488 V CA 2.126 64.373 62.300 -0.088 0.000 1.042 488 V CB -1.249 30.576 31.823 0.004 0.000 0.650 488 V HN 0.855 nan 8.190 nan 0.000 0.450 489 L N 1.406 122.728 121.223 0.165 0.000 1.991 489 L HA -0.280 4.049 4.340 -0.018 0.000 0.221 489 L C 2.702 179.495 176.870 -0.128 0.000 1.079 489 L CA 2.972 57.886 54.840 0.122 0.000 0.778 489 L CB -0.966 41.086 42.059 -0.012 0.000 0.893 489 L HN 0.549 nan 8.230 nan 0.000 0.437 490 S N -1.597 114.052 115.700 -0.084 0.000 2.402 490 S HA -0.218 4.240 4.470 -0.018 0.000 0.229 490 S C 1.790 176.360 174.600 -0.051 0.000 1.021 490 S CA 1.075 59.229 58.200 -0.076 0.000 0.974 490 S CB -0.754 62.603 63.200 0.260 0.000 0.800 490 S HN 0.720 nan 8.310 nan 0.000 0.484 491 Q N 0.819 120.608 119.800 -0.018 0.000 2.124 491 Q HA 0.013 4.342 4.340 -0.018 0.000 0.202 491 Q C 2.181 178.207 176.000 0.044 0.000 0.977 491 Q CA 1.472 57.291 55.803 0.027 0.000 0.850 491 Q CB -0.493 28.230 28.738 -0.024 0.000 0.901 491 Q HN 0.597 nan 8.270 nan 0.000 0.429 492 I N 0.705 121.264 120.570 -0.019 0.000 2.133 492 I HA -0.296 3.863 4.170 -0.018 0.000 0.238 492 I C 2.243 178.258 176.117 -0.170 0.000 1.074 492 I CA 1.149 62.387 61.300 -0.103 0.000 1.342 492 I CB -0.299 37.555 38.000 -0.243 0.000 1.053 492 I HN 0.192 nan 8.210 nan 0.000 0.404 493 L N 0.580 121.618 121.223 -0.309 0.000 2.129 493 L HA -0.260 4.069 4.340 -0.018 0.000 0.212 493 L C 2.761 179.474 176.870 -0.260 0.000 1.087 493 L CA 1.281 55.852 54.840 -0.448 0.000 0.757 493 L CB -0.726 40.730 42.059 -1.004 0.000 0.896 493 L HN 0.298 nan 8.230 nan 0.000 0.434 494 A N 0.110 122.861 122.820 -0.115 0.000 1.841 494 A HA -0.219 4.090 4.320 -0.018 0.000 0.214 494 A C 2.171 179.797 177.584 0.069 0.000 1.195 494 A CA 1.703 53.790 52.037 0.084 0.000 0.611 494 A CB -0.788 18.287 19.000 0.126 0.000 0.835 494 A HN 0.302 nan 8.150 nan 0.000 0.443 495 L N 0.235 121.475 121.223 0.028 0.000 1.990 495 L HA -0.149 4.180 4.340 -0.018 0.000 0.213 495 L C 2.362 179.243 176.870 0.018 0.000 1.072 495 L CA 2.332 57.182 54.840 0.016 0.000 0.755 495 L CB -0.888 41.158 42.059 -0.023 0.000 0.889 495 L HN 0.154 nan 8.230 nan 0.000 0.432 496 V N -0.407 119.507 119.914 0.000 0.000 2.255 496 V HA -0.342 3.767 4.120 -0.018 0.000 0.247 496 V C 2.527 178.712 176.094 0.151 0.000 1.051 496 V CA 2.367 64.698 62.300 0.051 0.000 1.018 496 V CB -1.131 30.714 31.823 0.036 0.000 0.641 496 V HN 0.601 nan 8.190 nan 0.000 0.445 497 T N -0.585 114.065 114.554 0.161 0.000 2.849 497 T HA -0.187 4.152 4.350 -0.018 0.000 0.270 497 T C 1.778 176.597 174.700 0.198 0.000 1.066 497 T CA 2.063 64.312 62.100 0.249 0.000 1.130 497 T CB -0.277 68.774 68.868 0.305 0.000 0.864 497 T HN 0.588 nan 8.240 nan 0.000 0.481 498 T N 0.870 115.505 114.554 0.134 0.000 3.051 498 T HA 0.158 4.497 4.350 -0.018 0.000 0.255 498 T C 1.111 175.845 174.700 0.057 0.000 1.085 498 T CA 0.010 62.168 62.100 0.097 0.000 1.109 498 T CB 0.109 69.026 68.868 0.083 0.000 0.921 498 T HN 0.252 nan 8.240 nan 0.000 0.488 499 S N 2.162 117.887 115.700 0.042 0.000 2.593 499 S HA 0.044 4.503 4.470 -0.018 0.000 0.269 499 S C 1.063 175.648 174.600 -0.026 0.000 1.334 499 S CA -0.719 57.484 58.200 0.006 0.000 1.015 499 S CB 0.500 63.697 63.200 -0.005 0.000 0.912 499 S HN 0.342 nan 8.310 nan 0.000 0.541 500 Q N 3.115 122.898 119.800 -0.028 0.000 2.380 500 Q HA 0.097 4.426 4.340 -0.018 0.000 0.254 500 Q C 0.820 176.776 176.000 -0.073 0.000 0.927 500 Q CA 0.084 55.862 55.803 -0.041 0.000 0.950 500 Q CB -0.967 27.763 28.738 -0.013 0.000 1.206 500 Q HN 0.453 nan 8.270 nan 0.000 0.414 501 V N 0.255 120.066 119.914 -0.172 0.000 3.041 501 V HA -0.141 3.968 4.120 -0.018 0.000 0.260 501 V C 1.785 177.601 176.094 -0.463 0.000 1.105 501 V CA 1.343 63.490 62.300 -0.255 0.000 1.125 501 V CB -0.400 31.250 31.823 -0.288 0.000 0.730 501 V HN 0.788 nan 8.190 nan 0.000 0.479 502 C N -1.308 117.674 119.300 -0.529 0.000 2.525 502 C HA 0.429 4.878 4.460 -0.018 0.000 0.313 502 C C 1.707 176.725 174.990 0.046 0.000 1.311 502 C CA -0.520 58.257 59.018 -0.402 0.000 1.725 502 C CB -1.450 25.927 27.740 -0.604 0.000 1.926 502 C HN 0.443 nan 8.230 nan 0.000 0.595 503 R N -1.270 119.226 120.500 -0.007 0.000 2.469 503 R HA 0.159 4.488 4.340 -0.018 0.000 0.250 503 R C -0.118 176.177 176.300 -0.009 0.000 0.909 503 R CA -0.267 55.836 56.100 0.004 0.000 1.050 503 R CB -0.018 30.271 30.300 -0.017 0.000 1.256 503 R HN 0.607 nan 8.270 nan 0.000 0.550 504 H N 2.943 121.991 119.070 -0.037 0.000 2.886 504 H HA 0.043 4.588 4.556 -0.018 0.000 0.329 504 H C -1.370 173.959 175.328 0.002 0.000 1.044 504 H CA -1.048 54.995 56.048 -0.009 0.000 1.456 504 H CB 1.324 31.084 29.762 -0.004 0.000 1.464 504 H HN -0.084 nan 8.280 nan 0.000 0.573 505 P HA -0.080 nan 4.420 nan 0.000 0.235 505 P C -0.206 177.158 177.300 0.108 0.000 1.177 505 P CA 0.525 63.641 63.100 0.026 0.000 0.785 505 P CB 0.237 31.889 31.700 -0.080 0.000 0.885 506 H N 1.647 120.891 119.070 0.290 0.000 2.929 506 H HA 0.095 4.640 4.556 -0.018 0.000 0.317 506 H C -1.365 173.942 175.328 -0.036 0.000 1.031 506 H CA -1.009 55.064 56.048 0.041 0.000 1.466 506 H CB 0.668 30.398 29.762 -0.053 0.000 1.482 506 H HN -0.110 nan 8.280 nan 0.000 0.561 507 P HA -0.244 nan 4.420 nan 0.000 0.213 507 P C 1.563 178.823 177.300 -0.067 0.000 1.170 507 P CA 0.833 63.841 63.100 -0.153 0.000 0.902 507 P CB 0.187 31.798 31.700 -0.148 0.000 0.789 508 L N -0.860 120.297 121.223 -0.110 0.000 2.089 508 L HA -0.176 4.153 4.340 -0.018 0.000 0.213 508 L C 2.252 179.103 176.870 -0.031 0.000 1.079 508 L CA 1.810 56.550 54.840 -0.167 0.000 0.758 508 L CB -1.152 40.609 42.059 -0.498 0.000 0.891 508 L HN -0.146 nan 8.230 nan 0.000 0.433 509 V N -1.232 118.710 119.914 0.046 0.000 2.488 509 V HA -0.254 3.855 4.120 -0.018 0.000 0.246 509 V C 2.355 178.488 176.094 0.065 0.000 1.046 509 V CA 1.512 63.817 62.300 0.009 0.000 1.053 509 V CB -0.472 31.296 31.823 -0.093 0.000 0.679 509 V HN 0.533 nan 8.190 nan 0.000 0.458 510 Q N -0.252 119.601 119.800 0.090 0.000 1.990 510 Q HA -0.157 4.172 4.340 -0.018 0.000 0.200 510 Q C 2.377 178.463 176.000 0.142 0.000 0.980 510 Q CA 1.653 57.553 55.803 0.161 0.000 0.832 510 Q CB -0.347 28.460 28.738 0.115 0.000 0.897 510 Q HN 0.474 nan 8.270 nan 0.000 0.427 511 L N 0.430 121.693 121.223 0.066 0.000 1.976 511 L HA -0.290 4.039 4.340 -0.018 0.000 0.223 511 L C 2.432 179.323 176.870 0.035 0.000 1.081 511 L CA 1.168 56.034 54.840 0.044 0.000 0.784 511 L CB -0.479 41.592 42.059 0.020 0.000 0.896 511 L HN 0.297 nan 8.230 nan 0.000 0.438 512 L N -0.879 120.355 121.223 0.019 0.000 1.991 512 L HA -0.344 3.985 4.340 -0.018 0.000 0.221 512 L C 2.335 179.232 176.870 0.044 0.000 1.079 512 L CA 2.091 56.927 54.840 -0.007 0.000 0.778 512 L CB -1.180 40.901 42.059 0.035 0.000 0.893 512 L HN 0.314 nan 8.230 nan 0.000 0.437 513 Y N -0.129 120.140 120.300 -0.053 0.000 2.014 513 Y HA -0.377 4.162 4.550 -0.019 0.000 0.272 513 Y C 2.628 178.467 175.900 -0.101 0.000 1.164 513 Y CA 2.609 60.652 58.100 -0.095 0.000 1.114 513 Y CB -0.514 37.833 38.460 -0.187 0.000 0.961 513 Y HN 0.254 nan 8.280 nan 0.000 0.489 514 M N -0.294 119.247 119.600 -0.100 0.000 2.260 514 M HA -0.227 4.241 4.480 -0.018 0.000 0.261 514 M C 1.888 178.207 176.300 0.031 0.000 1.066 514 M CA 1.709 56.890 55.300 -0.197 0.000 1.082 514 M CB -0.413 32.094 32.600 -0.156 0.000 1.388 514 M HN 0.332 nan 8.290 nan 0.000 0.419 515 E N 0.788 121.009 120.200 0.036 0.000 2.072 515 E HA -0.082 4.257 4.350 -0.018 0.000 0.190 515 E C 2.058 178.804 176.600 0.244 0.000 0.982 515 E CA 1.159 57.611 56.400 0.087 0.000 0.803 515 E CB -0.177 29.418 29.700 -0.175 0.000 0.755 515 E HN 0.592 nan 8.360 nan 0.000 0.453 516 I N 1.263 121.961 120.570 0.213 0.000 2.286 516 I HA -0.270 3.889 4.170 -0.018 0.000 0.248 516 I C 2.417 178.764 176.117 0.383 0.000 1.115 516 I CA 0.956 62.494 61.300 0.397 0.000 1.392 516 I CB -0.248 37.879 38.000 0.211 0.000 1.065 516 I HN 0.061 nan 8.210 nan 0.000 0.418 517 L N -0.305 121.022 121.223 0.172 0.000 2.275 517 L HA -0.137 4.192 4.340 -0.018 0.000 0.215 517 L C 2.308 179.517 176.870 0.565 0.000 1.119 517 L CA 0.669 55.701 54.840 0.321 0.000 0.790 517 L CB -0.311 41.701 42.059 -0.078 0.000 0.919 517 L HN 0.114 nan 8.230 nan 0.000 0.443 518 V N -0.797 119.378 119.914 0.436 0.000 2.575 518 V HA -0.099 4.010 4.120 -0.018 0.000 0.242 518 V C 2.522 178.777 176.094 0.268 0.000 1.045 518 V CA 0.951 63.485 62.300 0.391 0.000 1.065 518 V CB -0.255 31.736 31.823 0.281 0.000 0.717 518 V HN 0.360 nan 8.190 nan 0.000 0.467 519 R N 0.017 120.656 120.500 0.233 0.000 2.096 519 R HA -0.189 4.140 4.340 -0.018 0.000 0.240 519 R C 1.055 177.244 176.300 -0.185 0.000 1.139 519 R CA 2.028 58.098 56.100 -0.050 0.000 0.952 519 R CB -0.163 30.000 30.300 -0.228 0.000 0.854 519 R HN 0.574 nan 8.270 nan 0.000 0.436 520 Y N -0.480 119.984 120.300 0.273 0.000 2.833 520 Y HA 0.384 4.923 4.550 -0.019 0.000 0.339 520 Y C 1.200 177.330 175.900 0.383 0.000 1.032 520 Y CA -0.133 58.161 58.100 0.324 0.000 1.450 520 Y CB 0.383 39.002 38.460 0.264 0.000 1.296 520 Y HN 0.157 nan 8.280 nan 0.000 0.535 521 A N 0.199 123.297 122.820 0.463 0.000 1.933 521 A HA -0.220 4.089 4.320 -0.018 0.000 0.218 521 A C 2.370 180.133 177.584 0.298 0.000 1.175 521 A CA 1.970 54.302 52.037 0.491 0.000 0.628 521 A CB -0.826 18.266 19.000 0.153 0.000 0.814 521 A HN 0.526 nan 8.150 nan 0.000 0.444 522 S N -0.818 114.966 115.700 0.141 0.000 2.440 522 S HA -0.239 4.220 4.470 -0.018 0.000 0.240 522 S C 1.645 176.103 174.600 -0.237 0.000 1.014 522 S CA 1.469 59.651 58.200 -0.031 0.000 0.980 522 S CB -0.836 62.384 63.200 0.033 0.000 0.775 522 S HN 0.647 nan 8.310 nan 0.000 0.499 523 F N 2.270 121.950 119.950 -0.450 0.000 2.146 523 F HA 0.102 4.618 4.527 -0.018 0.000 0.298 523 F C 1.414 176.943 175.800 -0.452 0.000 1.096 523 F CA 0.741 58.313 58.000 -0.714 0.000 1.275 523 F CB -0.526 38.154 39.000 -0.534 0.000 1.008 523 F HN 0.163 nan 8.300 nan 0.000 0.480 524 F N 0.733 120.641 119.950 -0.069 0.000 2.722 524 F HA -0.091 4.424 4.527 -0.018 0.000 0.298 524 F C 1.686 177.326 175.800 -0.267 0.000 1.175 524 F CA 0.569 58.466 58.000 -0.172 0.000 1.462 524 F CB -0.693 38.331 39.000 0.040 0.000 1.111 524 F HN 0.018 nan 8.300 nan 0.000 0.592 525 D N -1.460 118.778 120.400 -0.271 0.000 2.305 525 D HA -0.084 4.545 4.640 -0.018 0.000 0.206 525 D C 1.636 177.628 176.300 -0.513 0.000 0.974 525 D CA 1.110 54.880 54.000 -0.382 0.000 0.871 525 D CB -0.127 40.373 40.800 -0.501 0.000 0.947 525 D HN 0.312 nan 8.370 nan 0.000 0.516 526 Y N 0.684 120.728 120.300 -0.426 0.000 2.479 526 Y HA 0.242 4.780 4.550 -0.018 0.000 0.283 526 Y C 0.722 176.388 175.900 -0.389 0.000 1.109 526 Y CA 0.280 58.151 58.100 -0.382 0.000 1.239 526 Y CB 0.700 38.906 38.460 -0.424 0.000 1.108 526 Y HN -0.227 nan 8.280 nan 0.000 0.548 527 E N 0.423 120.370 120.200 -0.422 0.000 2.437 527 E HA 0.165 4.504 4.350 -0.018 0.000 0.238 527 E C 0.124 176.672 176.600 -0.087 0.000 0.969 527 E CA -0.011 56.211 56.400 -0.297 0.000 0.759 527 E CB 1.125 30.554 29.700 -0.452 0.000 1.283 527 E HN 0.246 nan 8.360 nan 0.000 0.416 528 S N 0.981 116.676 115.700 -0.008 0.000 2.461 528 S HA -0.071 4.388 4.470 -0.018 0.000 0.228 528 S C 2.085 176.759 174.600 0.122 0.000 1.005 528 S CA 0.542 58.785 58.200 0.072 0.000 0.942 528 S CB 0.059 63.272 63.200 0.023 0.000 0.776 528 S HN 0.438 nan 8.310 nan 0.000 0.514 529 A N 2.741 125.628 122.820 0.112 0.000 1.896 529 A HA -0.097 4.212 4.320 -0.018 0.000 0.220 529 A C 2.550 180.221 177.584 0.145 0.000 1.206 529 A CA 2.420 54.529 52.037 0.121 0.000 0.647 529 A CB -1.668 17.398 19.000 0.111 0.000 0.828 529 A HN 0.955 nan 8.150 nan 0.000 0.455 530 A N -0.502 122.443 122.820 0.208 0.000 2.019 530 A HA -0.020 4.289 4.320 -0.018 0.000 0.219 530 A C 1.957 179.600 177.584 0.098 0.000 1.164 530 A CA 1.270 53.420 52.037 0.188 0.000 0.644 530 A CB -0.597 18.581 19.000 0.296 0.000 0.805 530 A HN 0.509 nan 8.150 nan 0.000 0.449 531 I N 0.776 121.392 120.570 0.076 0.000 2.132 531 I HA -0.305 3.854 4.170 -0.018 0.000 0.238 531 I C 0.001 176.059 176.117 -0.097 0.000 1.012 531 I CA 2.789 64.078 61.300 -0.019 0.000 1.288 531 I CB -2.367 35.625 38.000 -0.013 0.000 0.997 531 I HN 0.280 nan 8.210 nan 0.000 0.402 532 P HA -0.228 nan 4.420 nan 0.000 0.216 532 P C 1.533 178.803 177.300 -0.051 0.000 1.157 532 P CA 2.720 65.719 63.100 -0.168 0.000 0.880 532 P CB -0.149 31.607 31.700 0.094 0.000 0.791 533 A N 0.109 122.948 122.820 0.031 0.000 1.908 533 A HA -0.143 4.165 4.320 -0.018 0.000 0.218 533 A C 2.517 180.153 177.584 0.085 0.000 1.181 533 A CA 1.592 53.671 52.037 0.071 0.000 0.627 533 A CB -1.644 17.409 19.000 0.087 0.000 0.818 533 A HN 0.155 nan 8.150 nan 0.000 0.445 534 L N -0.864 120.386 121.223 0.046 0.000 2.265 534 L HA -0.144 4.185 4.340 -0.018 0.000 0.215 534 L C 2.257 179.222 176.870 0.158 0.000 1.117 534 L CA 0.874 55.734 54.840 0.034 0.000 0.782 534 L CB -0.449 41.550 42.059 -0.100 0.000 0.914 534 L HN 0.400 nan 8.230 nan 0.000 0.441 535 I N -0.102 120.536 120.570 0.115 0.000 2.400 535 I HA -0.139 4.020 4.170 -0.018 0.000 0.248 535 I C 3.089 179.295 176.117 0.148 0.000 1.109 535 I CA 1.078 62.485 61.300 0.178 0.000 1.425 535 I CB -0.632 37.363 38.000 -0.008 0.000 1.094 535 I HN 0.222 nan 8.210 nan 0.000 0.425 536 E N 0.672 120.928 120.200 0.094 0.000 2.171 536 E HA -0.330 4.009 4.350 -0.018 0.000 0.197 536 E C 1.965 178.604 176.600 0.065 0.000 0.997 536 E CA 1.841 58.288 56.400 0.079 0.000 0.810 536 E CB -1.300 28.449 29.700 0.081 0.000 0.738 536 E HN 0.684 nan 8.360 nan 0.000 0.467 537 Y N -0.832 119.459 120.300 -0.016 0.000 2.130 537 Y HA 0.012 4.550 4.550 -0.019 0.000 0.287 537 Y C 2.208 178.020 175.900 -0.146 0.000 1.124 537 Y CA 1.915 59.967 58.100 -0.079 0.000 1.118 537 Y CB -0.284 38.120 38.460 -0.094 0.000 0.994 537 Y HN 0.232 nan 8.280 nan 0.000 0.497 538 F N -0.596 119.400 119.950 0.076 0.000 2.154 538 F HA -0.261 4.255 4.527 -0.018 0.000 0.301 538 F C 2.031 177.599 175.800 -0.388 0.000 1.087 538 F CA 1.624 59.559 58.000 -0.109 0.000 1.274 538 F CB -0.465 38.501 39.000 -0.057 0.000 1.009 538 F HN -0.137 nan 8.300 nan 0.000 0.485 539 V N -0.381 119.412 119.914 -0.200 0.000 3.646 539 V HA 0.127 4.236 4.120 -0.018 0.000 0.277 539 V C 1.339 177.323 176.094 -0.184 0.000 1.274 539 V CA 0.459 62.580 62.300 -0.299 0.000 1.164 539 V CB -1.205 30.509 31.823 -0.182 0.000 0.926 539 V HN 0.238 nan 8.190 nan 0.000 0.442 540 G N 1.202 109.868 108.800 -0.222 0.000 2.599 540 G HA2 0.288 4.237 3.960 -0.018 0.000 0.264 540 G HA3 0.288 4.237 3.960 -0.018 0.000 0.264 540 G C -1.226 173.582 174.900 -0.153 0.000 1.200 540 G CA -0.761 44.210 45.100 -0.214 0.000 0.896 540 G HN 0.246 nan 8.290 nan 0.000 0.536 541 P HA -0.025 nan 4.420 nan 0.000 0.234 541 P C 1.028 178.266 177.300 -0.104 0.000 1.167 541 P CA 0.704 63.792 63.100 -0.021 0.000 0.763 541 P CB 0.221 31.897 31.700 -0.040 0.000 0.835 542 R N -1.662 118.685 120.500 -0.255 0.000 2.335 542 R HA 0.321 4.650 4.340 -0.018 0.000 0.210 542 R C 1.841 177.918 176.300 -0.372 0.000 0.892 542 R CA 0.458 56.365 56.100 -0.321 0.000 1.048 542 R CB -0.491 29.538 30.300 -0.451 0.000 1.067 542 R HN 0.081 nan 8.270 nan 0.000 0.524 543 G N 1.957 110.511 108.800 -0.411 0.000 3.199 543 G HA2 0.074 4.022 3.960 -0.018 0.000 0.184 543 G HA3 0.074 4.022 3.960 -0.018 0.000 0.184 543 G C 1.102 175.922 174.900 -0.132 0.000 1.974 543 G CA -0.353 44.560 45.100 -0.311 0.000 0.885 543 G HN 0.037 nan 8.290 nan 0.000 0.575 544 I N 0.588 121.065 120.570 -0.154 0.000 2.756 544 I HA -0.024 4.135 4.170 -0.018 0.000 0.262 544 I C 1.507 177.632 176.117 0.013 0.000 1.225 544 I CA 0.759 62.045 61.300 -0.023 0.000 1.472 544 I CB -0.155 37.684 38.000 -0.268 0.000 1.094 544 I HN 0.224 nan 8.210 nan 0.000 0.454 545 H N 0.247 119.343 119.070 0.044 0.000 2.549 545 H HA 0.214 4.759 4.556 -0.018 0.000 0.279 545 H C 0.270 175.588 175.328 -0.016 0.000 1.018 545 H CA -0.453 55.618 56.048 0.038 0.000 1.175 545 H CB -0.484 29.273 29.762 -0.009 0.000 1.485 545 H HN 0.376 nan 8.280 nan 0.000 0.543 546 N N 0.916 119.637 118.700 0.035 0.000 2.293 546 N HA -0.098 4.631 4.740 -0.018 0.000 0.253 546 N C 0.735 176.232 175.510 -0.022 0.000 1.248 546 N CA 0.204 53.235 53.050 -0.032 0.000 0.845 546 N CB 0.949 39.391 38.487 -0.076 0.000 1.073 546 N HN 0.031 nan 8.380 nan 0.000 0.464 547 T N 1.566 116.099 114.554 -0.034 0.000 2.951 547 T HA -0.107 4.232 4.350 -0.018 0.000 0.268 547 T C 0.770 175.439 174.700 -0.051 0.000 1.073 547 T CA 0.334 62.413 62.100 -0.035 0.000 1.134 547 T CB -0.204 68.639 68.868 -0.042 0.000 0.884 547 T HN 0.532 nan 8.240 nan 0.000 0.479 548 N N 2.035 120.697 118.700 -0.063 0.000 2.434 548 N HA 0.027 4.756 4.740 -0.018 0.000 0.268 548 N C 1.355 176.820 175.510 -0.075 0.000 1.256 548 N CA 0.790 53.801 53.050 -0.065 0.000 0.914 548 N CB 0.851 39.306 38.487 -0.054 0.000 1.088 548 N HN 0.521 nan 8.380 nan 0.000 0.478 549 E N 4.292 124.450 120.200 -0.071 0.000 2.108 549 E HA -0.327 4.012 4.350 -0.018 0.000 0.203 549 E C 2.143 178.687 176.600 -0.094 0.000 1.022 549 E CA 2.763 59.115 56.400 -0.080 0.000 0.823 549 E CB -0.994 28.669 29.700 -0.062 0.000 0.744 549 E HN 0.858 nan 8.360 nan 0.000 0.456 550 R N 0.058 120.522 120.500 -0.061 0.000 2.092 550 R HA 0.154 4.483 4.340 -0.018 0.000 0.231 550 R C 2.826 179.092 176.300 -0.056 0.000 1.119 550 R CA 1.566 57.643 56.100 -0.039 0.000 0.970 550 R CB -1.262 29.050 30.300 0.020 0.000 0.864 550 R HN 0.502 nan 8.270 nan 0.000 0.440 551 V N 0.592 120.471 119.914 -0.057 0.000 2.453 551 V HA -0.149 3.960 4.120 -0.018 0.000 0.247 551 V C 2.583 178.575 176.094 -0.170 0.000 1.048 551 V CA 1.724 63.982 62.300 -0.070 0.000 1.049 551 V CB -0.605 31.190 31.823 -0.046 0.000 0.672 551 V HN 0.564 nan 8.190 nan 0.000 0.457 552 R N 0.584 120.931 120.500 -0.254 0.000 2.113 552 R HA -0.188 4.140 4.340 -0.018 0.000 0.244 552 R C -0.055 175.653 176.300 -0.986 0.000 1.142 552 R CA 2.496 58.298 56.100 -0.497 0.000 0.953 552 R CB -1.305 28.729 30.300 -0.444 0.000 0.860 552 R HN 0.511 nan 8.270 nan 0.000 0.438 553 P HA -0.088 nan 4.420 nan 0.000 0.220 553 P C 0.701 177.886 177.300 -0.192 0.000 1.152 553 P CA 1.115 63.824 63.100 -0.652 0.000 0.812 553 P CB -0.033 31.483 31.700 -0.306 0.000 0.792 554 R N 1.018 121.453 120.500 -0.108 0.000 2.066 554 R HA 0.021 4.350 4.340 -0.018 0.000 0.232 554 R C 2.263 178.659 176.300 0.158 0.000 1.131 554 R CA 1.827 57.967 56.100 0.066 0.000 0.955 554 R CB -1.682 28.650 30.300 0.053 0.000 0.851 554 R HN 0.044 nan 8.270 nan 0.000 0.432 555 A N 0.171 123.025 122.820 0.057 0.000 1.884 555 A HA -0.215 4.094 4.320 -0.018 0.000 0.219 555 A C 1.931 179.767 177.584 0.421 0.000 1.197 555 A CA 1.796 53.946 52.037 0.188 0.000 0.637 555 A CB -1.225 17.812 19.000 0.062 0.000 0.827 555 A HN 0.531 nan 8.150 nan 0.000 0.450 556 W N -1.226 120.211 121.300 0.227 0.000 2.315 556 W HA -0.230 4.419 4.660 -0.018 0.000 0.323 556 W C 2.285 178.983 176.519 0.299 0.000 1.233 556 W CA 1.018 58.522 57.345 0.265 0.000 1.267 556 W CB -1.904 27.680 29.460 0.207 0.000 1.160 556 W HN 0.583 nan 8.180 nan 0.000 0.474 557 Y N 0.733 121.229 120.300 0.326 0.000 2.053 557 Y HA -0.298 4.241 4.550 -0.018 0.000 0.277 557 Y C 2.529 178.530 175.900 0.169 0.000 1.159 557 Y CA 2.332 60.432 58.100 0.000 0.000 1.125 557 Y CB -1.051 37.291 38.460 -0.197 0.000 0.969 557 Y HN -0.160 nan 8.280 nan 0.000 0.492 558 L N -1.076 120.217 121.223 0.118 0.000 2.013 558 L HA -0.269 4.060 4.340 -0.018 0.000 0.212 558 L C 2.475 179.411 176.870 0.110 0.000 1.073 558 L CA 1.882 56.772 54.840 0.082 0.000 0.753 558 L CB -1.050 41.236 42.059 0.379 0.000 0.890 558 L HN 0.339 nan 8.230 nan 0.000 0.432 559 F N 0.507 120.538 119.950 0.135 0.000 2.091 559 F HA -0.331 4.185 4.527 -0.019 0.000 0.299 559 F C 2.640 178.359 175.800 -0.134 0.000 1.103 559 F CA 1.693 59.624 58.000 -0.115 0.000 1.228 559 F CB -0.943 38.157 39.000 0.168 0.000 0.984 559 F HN 0.090 nan 8.300 nan 0.000 0.477 560 Y N 1.363 121.505 120.300 -0.264 0.000 2.014 560 Y HA -0.268 4.271 4.550 -0.018 0.000 0.270 560 Y C 2.766 178.448 175.900 -0.364 0.000 1.145 560 Y CA 2.490 60.386 58.100 -0.339 0.000 1.106 560 Y CB -0.972 37.442 38.460 -0.077 0.000 0.968 560 Y HN -0.062 nan 8.280 nan 0.000 0.484 561 R N -0.228 119.854 120.500 -0.698 0.000 2.134 561 R HA -0.251 4.078 4.340 -0.018 0.000 0.248 561 R C 2.345 178.362 176.300 -0.472 0.000 1.143 561 R CA 2.126 57.802 56.100 -0.706 0.000 0.957 561 R CB -1.483 28.459 30.300 -0.596 0.000 0.867 561 R HN 0.535 nan 8.270 nan 0.000 0.441 562 F N 0.657 120.272 119.950 -0.558 0.000 2.060 562 F HA -0.186 4.330 4.527 -0.018 0.000 0.295 562 F C 2.392 177.877 175.800 -0.524 0.000 1.120 562 F CA 1.305 58.989 58.000 -0.526 0.000 1.205 562 F CB -0.545 37.936 39.000 -0.864 0.000 0.986 562 F HN -0.253 nan 8.300 nan 0.000 0.470 563 V N 0.602 120.195 119.914 -0.535 0.000 2.380 563 V HA -0.364 3.745 4.120 -0.018 0.000 0.251 563 V C 2.491 178.303 176.094 -0.470 0.000 1.063 563 V CA 2.259 64.232 62.300 -0.545 0.000 1.055 563 V CB -0.731 30.647 31.823 -0.741 0.000 0.657 563 V HN 0.303 nan 8.190 nan 0.000 0.455 564 K N -0.308 119.774 120.400 -0.529 0.000 2.031 564 K HA -0.111 4.198 4.320 -0.018 0.000 0.205 564 K C 2.597 178.980 176.600 -0.361 0.000 1.049 564 K CA 1.350 57.367 56.287 -0.449 0.000 0.939 564 K CB -0.451 31.681 32.500 -0.614 0.000 0.717 564 K HN 0.557 nan 8.250 nan 0.000 0.438 565 S N 1.314 116.780 115.700 -0.391 0.000 2.368 565 S HA -0.158 4.301 4.470 -0.018 0.000 0.226 565 S C 1.263 175.686 174.600 -0.295 0.000 1.044 565 S CA 1.663 59.676 58.200 -0.312 0.000 1.062 565 S CB -0.287 62.723 63.200 -0.316 0.000 0.931 565 S HN 0.238 nan 8.310 nan 0.000 0.440 566 I N 0.803 121.141 120.570 -0.385 0.000 2.862 566 I HA 0.290 4.449 4.170 -0.018 0.000 0.285 566 I C 1.296 177.256 176.117 -0.262 0.000 1.339 566 I CA -0.141 60.980 61.300 -0.299 0.000 1.002 566 I CB 1.298 39.114 38.000 -0.307 0.000 1.618 566 I HN 0.219 nan 8.210 nan 0.000 0.593 567 K N 2.293 122.563 120.400 -0.216 0.000 2.148 567 K HA -0.113 4.196 4.320 -0.018 0.000 0.204 567 K C 2.257 178.796 176.600 -0.101 0.000 1.050 567 K CA 1.813 58.001 56.287 -0.164 0.000 0.942 567 K CB -0.631 31.778 32.500 -0.151 0.000 0.724 567 K HN 0.538 nan 8.250 nan 0.000 0.446 568 K N 1.475 121.818 120.400 -0.095 0.000 2.026 568 K HA -0.221 4.088 4.320 -0.018 0.000 0.208 568 K C 2.366 178.951 176.600 -0.026 0.000 1.048 568 K CA 1.822 58.072 56.287 -0.061 0.000 0.929 568 K CB -0.880 31.578 32.500 -0.068 0.000 0.713 568 K HN 0.835 nan 8.250 nan 0.000 0.439 569 Q N 0.294 120.082 119.800 -0.020 0.000 2.364 569 Q HA 0.008 4.337 4.340 -0.018 0.000 0.207 569 Q C 1.692 177.801 176.000 0.182 0.000 0.970 569 Q CA 1.091 56.923 55.803 0.050 0.000 0.888 569 Q CB -0.118 28.639 28.738 0.032 0.000 0.951 569 Q HN 0.338 nan 8.270 nan 0.000 0.469 570 V N 0.888 120.895 119.914 0.155 0.000 3.636 570 V HA -0.079 4.030 4.120 -0.018 0.000 0.279 570 V C 1.837 178.061 176.094 0.217 0.000 1.263 570 V CA 0.400 62.907 62.300 0.345 0.000 1.182 570 V CB -0.336 31.579 31.823 0.154 0.000 0.955 570 V HN 0.188 nan 8.190 nan 0.000 0.443 571 V N 0.955 120.907 119.914 0.063 0.000 2.255 571 V HA -0.274 3.835 4.120 -0.018 0.000 0.247 571 V C 2.320 178.354 176.094 -0.100 0.000 1.051 571 V CA 2.304 64.591 62.300 -0.021 0.000 1.018 571 V CB -0.632 31.167 31.823 -0.041 0.000 0.641 571 V HN 0.658 nan 8.190 nan 0.000 0.445 572 N N -0.562 117.971 118.700 -0.278 0.000 2.309 572 N HA -0.141 4.588 4.740 -0.018 0.000 0.182 572 N C 1.581 176.840 175.510 -0.420 0.000 1.018 572 N CA 1.354 54.161 53.050 -0.405 0.000 0.876 572 N CB -0.348 37.802 38.487 -0.562 0.000 0.972 572 N HN 0.655 nan 8.380 nan 0.000 0.434 573 Y N 0.926 121.250 120.300 0.040 0.000 2.529 573 Y HA 0.109 4.647 4.550 -0.018 0.000 0.290 573 Y C 2.254 178.193 175.900 0.065 0.000 1.177 573 Y CA 0.236 58.373 58.100 0.062 0.000 1.305 573 Y CB -0.521 37.991 38.460 0.086 0.000 1.047 573 Y HN -0.043 nan 8.280 nan 0.000 0.522 574 T N -0.276 114.341 114.554 0.105 0.000 2.580 574 T HA -0.252 4.087 4.350 -0.018 0.000 0.265 574 T C 1.948 176.698 174.700 0.083 0.000 1.063 574 T CA 1.912 64.065 62.100 0.088 0.000 1.170 574 T CB -0.457 68.433 68.868 0.037 0.000 0.863 574 T HN 0.365 nan 8.240 nan 0.000 0.418 575 E N 1.624 121.855 120.200 0.052 0.000 2.026 575 E HA -0.219 4.120 4.350 -0.018 0.000 0.206 575 E C 2.788 179.429 176.600 0.068 0.000 1.028 575 E CA 1.551 57.981 56.400 0.049 0.000 0.845 575 E CB -1.368 28.349 29.700 0.029 0.000 0.772 575 E HN 0.856 nan 8.360 nan 0.000 0.462 576 S N 1.958 117.704 115.700 0.077 0.000 2.392 576 S HA -0.315 4.144 4.470 -0.018 0.000 0.225 576 S C 2.328 176.989 174.600 0.102 0.000 1.041 576 S CA 2.617 60.871 58.200 0.089 0.000 1.100 576 S CB -1.304 61.961 63.200 0.108 0.000 1.029 576 S HN 0.582 nan 8.310 nan 0.000 0.424 577 S N 3.239 119.022 115.700 0.139 0.000 2.372 577 S HA -0.162 4.296 4.470 -0.018 0.000 0.227 577 S C 1.959 176.634 174.600 0.124 0.000 1.044 577 S CA 1.681 59.968 58.200 0.146 0.000 1.050 577 S CB -1.294 62.052 63.200 0.242 0.000 0.901 577 S HN 0.510 nan 8.310 nan 0.000 0.447 578 L N 1.744 123.039 121.223 0.121 0.000 2.012 578 L HA -0.152 4.177 4.340 -0.018 0.000 0.210 578 L C 3.229 180.142 176.870 0.072 0.000 1.073 578 L CA 1.377 56.276 54.840 0.099 0.000 0.748 578 L CB -1.012 41.100 42.059 0.088 0.000 0.891 578 L HN 0.495 nan 8.230 nan 0.000 0.431 579 A N -0.405 122.455 122.820 0.067 0.000 1.917 579 A HA -0.267 4.042 4.320 -0.018 0.000 0.219 579 A C 2.312 179.932 177.584 0.059 0.000 1.182 579 A CA 1.970 54.040 52.037 0.055 0.000 0.633 579 A CB -0.459 18.572 19.000 0.052 0.000 0.819 579 A HN 0.350 nan 8.150 nan 0.000 0.448 580 M N -0.623 119.021 119.600 0.073 0.000 2.229 580 M HA -0.047 4.422 4.480 -0.018 0.000 0.264 580 M C 2.014 178.376 176.300 0.104 0.000 1.063 580 M CA 1.125 56.491 55.300 0.110 0.000 1.114 580 M CB -0.972 31.684 32.600 0.094 0.000 1.387 580 M HN 0.418 nan 8.290 nan 0.000 0.420 581 L N -0.717 120.525 121.223 0.032 0.000 2.275 581 L HA -0.069 4.260 4.340 -0.018 0.000 0.215 581 L C 2.595 179.441 176.870 -0.040 0.000 1.119 581 L CA 0.697 55.519 54.840 -0.031 0.000 0.790 581 L CB -1.436 40.607 42.059 -0.026 0.000 0.919 581 L HN 0.352 nan 8.230 nan 0.000 0.443 582 G N 1.201 110.002 108.800 0.001 0.000 2.649 582 G HA2 -0.356 3.593 3.960 -0.018 0.000 0.220 582 G HA3 -0.356 3.593 3.960 -0.018 0.000 0.220 582 G C 1.095 175.984 174.900 -0.018 0.000 1.189 582 G CA 1.453 46.549 45.100 -0.006 0.000 0.777 582 G HN 0.455 nan 8.290 nan 0.000 0.602 583 D N 0.788 121.193 120.400 0.008 0.000 2.178 583 D HA -0.090 4.539 4.640 -0.018 0.000 0.201 583 D C 2.477 178.769 176.300 -0.013 0.000 0.980 583 D CA 0.729 54.734 54.000 0.008 0.000 0.842 583 D CB -0.376 40.434 40.800 0.017 0.000 0.948 583 D HN 0.408 nan 8.370 nan 0.000 0.472 584 L N 0.101 121.285 121.223 -0.065 0.000 2.478 584 L HA 0.027 4.356 4.340 -0.018 0.000 0.223 584 L C 1.393 178.036 176.870 -0.378 0.000 1.140 584 L CA 0.254 54.957 54.840 -0.228 0.000 0.842 584 L CB -0.182 41.619 42.059 -0.431 0.000 0.953 584 L HN -0.113 nan 8.230 nan 0.000 0.452 585 L N 0.784 121.843 121.223 -0.272 0.000 2.990 585 L HA 0.271 4.600 4.340 -0.018 0.000 0.231 585 L C 0.450 177.327 176.870 0.010 0.000 1.341 585 L CA -0.256 54.428 54.840 -0.260 0.000 1.208 585 L CB -1.143 40.829 42.059 -0.145 0.000 1.571 585 L HN 0.313 nan 8.230 nan 0.000 0.453 586 N N 1.043 119.746 118.700 0.005 0.000 2.469 586 N HA 0.904 5.633 4.740 -0.018 0.000 0.286 586 N C -0.727 174.839 175.510 0.093 0.000 1.275 586 N CA -0.521 52.566 53.050 0.062 0.000 0.790 586 N CB 2.030 40.540 38.487 0.039 0.000 1.446 586 N HN 0.173 nan 8.380 nan 0.000 0.501 587 I N 0.517 121.142 120.570 0.092 0.000 2.534 587 I HA 0.365 4.524 4.170 -0.018 0.000 0.286 587 I C -0.746 175.419 176.117 0.080 0.000 1.094 587 I CA -0.585 60.776 61.300 0.102 0.000 1.055 587 I CB 2.396 40.461 38.000 0.109 0.000 1.225 587 I HN 0.461 nan 8.210 nan 0.000 0.435 588 S N 4.824 120.575 115.700 0.085 0.000 2.062 588 S HA 0.281 4.740 4.470 -0.018 0.000 0.163 588 S C -0.231 174.412 174.600 0.073 0.000 1.612 588 S CA -0.417 57.825 58.200 0.070 0.000 1.251 588 S CB 0.782 64.020 63.200 0.063 0.000 1.174 588 S HN 0.292 nan 8.310 nan 0.000 0.428 589 V N 2.765 122.724 119.914 0.075 0.000 2.439 589 V HA 0.277 4.386 4.120 -0.018 0.000 0.271 589 V C 0.354 176.484 176.094 0.060 0.000 1.040 589 V CA 0.094 62.439 62.300 0.075 0.000 1.002 589 V CB 0.821 32.696 31.823 0.087 0.000 1.000 589 V HN 0.617 nan 8.190 nan 0.000 0.477 590 S N 7.375 123.108 115.700 0.054 0.000 2.454 590 S HA 0.526 4.985 4.470 -0.018 0.000 0.306 590 S C -2.333 172.290 174.600 0.039 0.000 1.100 590 S CA -0.929 57.297 58.200 0.042 0.000 1.087 590 S CB 1.746 64.968 63.200 0.036 0.000 1.019 590 S HN 0.693 nan 8.310 nan 0.000 0.480 591 P HA 0.503 nan 4.420 nan 0.000 0.282 591 P C -0.863 176.451 177.300 0.023 0.000 1.274 591 P CA -0.203 62.914 63.100 0.029 0.000 0.770 591 P CB 0.621 32.337 31.700 0.027 0.000 0.867 592 V N 2.521 122.448 119.914 0.022 0.000 3.141 592 V HA 0.806 4.915 4.120 -0.018 0.000 0.312 592 V C 0.112 176.214 176.094 0.014 0.000 1.157 592 V CA -0.778 61.532 62.300 0.017 0.000 1.041 592 V CB 2.262 34.095 31.823 0.017 0.000 1.071 592 V HN 0.470 nan 8.190 nan 0.000 0.441 593 T N 0.182 114.743 114.554 0.011 0.000 2.907 593 T HA 0.593 4.932 4.350 -0.018 0.000 0.290 593 T C 0.771 175.476 174.700 0.007 0.000 1.066 593 T CA 0.572 62.677 62.100 0.008 0.000 1.012 593 T CB 1.481 70.353 68.868 0.007 0.000 1.184 593 T HN 1.136 nan 8.240 nan 0.000 0.522 594 D N -0.270 120.134 120.400 0.006 0.000 2.338 594 D HA 0.385 5.014 4.640 -0.018 0.000 0.239 594 D C 1.394 177.697 176.300 0.004 0.000 1.095 594 D CA 0.839 54.842 54.000 0.006 0.000 0.888 594 D CB -1.151 39.652 40.800 0.006 0.000 0.899 594 D HN 1.176 nan 8.370 nan 0.000 0.525 595 M N -2.519 117.083 119.600 0.004 0.000 2.653 595 M HA 0.009 4.478 4.480 -0.018 0.000 0.203 595 M C 1.040 177.341 176.300 0.003 0.000 0.502 595 M CA 2.805 58.107 55.300 0.003 0.000 0.601 595 M CB -2.962 29.640 32.600 0.002 0.000 2.228 595 M HN 1.126 nan 8.290 nan 0.000 0.711 596 D N -1.694 118.708 120.400 0.003 0.000 2.929 596 D HA 0.765 5.394 4.640 -0.018 0.000 0.291 596 D C 1.835 178.137 176.300 0.003 0.000 1.086 596 D CA 1.498 55.499 54.000 0.003 0.000 0.971 596 D CB -0.253 40.549 40.800 0.003 0.000 1.275 596 D HN 2.252 nan 8.370 nan 0.000 0.469 597 A N -1.139 121.683 122.820 0.003 0.000 2.470 597 A HA 0.685 4.994 4.320 -0.018 0.000 0.251 597 A C -0.018 177.568 177.584 0.003 0.000 1.245 597 A CA 1.467 53.506 52.037 0.002 0.000 0.932 597 A CB 0.038 19.040 19.000 0.002 0.000 1.037 597 A HN 1.281 nan 8.150 nan 0.000 0.522 598 P HA 0.020 nan 4.420 nan 0.000 0.015 598 P C -0.042 177.261 177.300 0.004 0.000 0.738 598 P CA 1.692 64.795 63.100 0.004 0.000 1.034 598 P CB -2.302 29.400 31.700 0.003 0.000 1.908 599 V N -0.884 119.032 119.914 0.004 0.000 2.350 599 V HA 0.737 4.846 4.120 -0.018 0.000 0.285 599 V C -2.187 173.909 176.094 0.004 0.000 1.014 599 V CA -2.056 60.247 62.300 0.004 0.000 0.831 599 V CB 1.911 33.736 31.823 0.004 0.000 1.000 599 V HN 0.140 nan 8.190 nan 0.000 0.433 600 P HA 0.561 nan 4.420 nan 0.000 0.287 600 P C -0.311 176.990 177.300 0.003 0.000 1.281 600 P CA 0.017 63.121 63.100 0.006 0.000 0.781 600 P CB 1.322 33.029 31.700 0.010 0.000 0.903 601 T N 2.617 117.169 114.554 -0.004 0.000 2.930 601 T HA 0.200 4.539 4.350 -0.018 0.000 0.290 601 T C 1.163 175.848 174.700 -0.025 0.000 1.052 601 T CA -0.383 61.707 62.100 -0.016 0.000 1.017 601 T CB 1.320 70.176 68.868 -0.020 0.000 1.137 601 T HN 0.147 nan 8.240 nan 0.000 0.511 602 L N 2.248 123.438 121.223 -0.055 0.000 2.012 602 L HA -0.086 4.243 4.340 -0.018 0.000 0.210 602 L C 2.065 178.902 176.870 -0.056 0.000 1.073 602 L CA 1.973 56.765 54.840 -0.080 0.000 0.748 602 L CB -0.885 41.060 42.059 -0.191 0.000 0.891 602 L HN 0.634 nan 8.230 nan 0.000 0.431 603 N N -1.366 117.298 118.700 -0.060 0.000 2.043 603 N HA -0.212 4.517 4.740 -0.018 0.000 0.193 603 N C 1.763 177.271 175.510 -0.004 0.000 1.037 603 N CA 1.649 54.680 53.050 -0.032 0.000 0.851 603 N CB -0.090 38.377 38.487 -0.032 0.000 1.027 603 N HN 0.344 nan 8.380 nan 0.000 0.422 604 S N 0.382 116.080 115.700 -0.003 0.000 2.370 604 S HA -0.084 4.375 4.470 -0.018 0.000 0.226 604 S C 2.158 176.768 174.600 0.017 0.000 1.033 604 S CA 0.955 59.160 58.200 0.007 0.000 1.011 604 S CB -0.149 63.054 63.200 0.005 0.000 0.852 604 S HN 0.300 nan 8.310 nan 0.000 0.457 605 S N 1.564 117.274 115.700 0.017 0.000 2.356 605 S HA 0.020 4.479 4.470 -0.018 0.000 0.223 605 S C 1.813 176.442 174.600 0.048 0.000 1.032 605 S CA 1.023 59.241 58.200 0.031 0.000 1.005 605 S CB -0.404 62.814 63.200 0.031 0.000 0.867 605 S HN 0.413 nan 8.310 nan 0.000 0.449 606 I N 1.286 121.888 120.570 0.053 0.000 2.226 606 I HA -0.210 3.949 4.170 -0.018 0.000 0.245 606 I C 2.643 178.804 176.117 0.073 0.000 1.100 606 I CA 1.205 62.553 61.300 0.081 0.000 1.374 606 I CB -0.271 37.788 38.000 0.097 0.000 1.057 606 I HN 0.194 nan 8.210 nan 0.000 0.413 607 R N 0.632 121.163 120.500 0.052 0.000 2.075 607 R HA -0.140 4.189 4.340 -0.018 0.000 0.232 607 R C 2.297 178.623 176.300 0.044 0.000 1.126 607 R CA 1.635 57.763 56.100 0.047 0.000 0.963 607 R CB -1.045 29.274 30.300 0.033 0.000 0.858 607 R HN 0.525 nan 8.270 nan 0.000 0.435 608 N N 0.772 119.495 118.700 0.039 0.000 2.585 608 N HA -0.016 4.713 4.740 -0.018 0.000 0.188 608 N C 0.616 176.152 175.510 0.044 0.000 1.102 608 N CA 1.221 54.291 53.050 0.034 0.000 0.920 608 N CB -0.090 38.414 38.487 0.029 0.000 0.963 608 N HN 0.452 nan 8.380 nan 0.000 0.447 609 S N 0.032 115.769 115.700 0.062 0.000 2.526 609 S HA 0.503 4.962 4.470 -0.018 0.000 0.293 609 S C -0.799 173.863 174.600 0.104 0.000 1.092 609 S CA -0.709 57.539 58.200 0.081 0.000 0.980 609 S CB 0.894 64.150 63.200 0.094 0.000 1.048 609 S HN 0.291 nan 8.310 nan 0.000 0.483 610 D N 2.684 123.157 120.400 0.122 0.000 2.982 610 D HA 0.225 4.854 4.640 -0.018 0.000 0.238 610 D C 1.200 177.663 176.300 0.271 0.000 1.168 610 D CA 0.403 54.501 54.000 0.162 0.000 0.947 610 D CB -1.018 39.840 40.800 0.097 0.000 1.147 610 D HN 0.566 nan 8.370 nan 0.000 0.450 611 F N 0.943 121.017 119.950 0.207 0.000 2.179 611 F HA -0.121 4.395 4.527 -0.018 0.000 0.292 611 F C 2.268 178.187 175.800 0.197 0.000 1.089 611 F CA 0.346 58.470 58.000 0.206 0.000 1.295 611 F CB -0.753 38.341 39.000 0.157 0.000 1.041 611 F HN 0.116 nan 8.300 nan 0.000 0.487 612 N N 0.595 119.392 118.700 0.162 0.000 2.258 612 N HA -0.137 4.591 4.740 -0.018 0.000 0.187 612 N C 1.864 177.511 175.510 0.228 0.000 1.012 612 N CA 1.585 54.716 53.050 0.134 0.000 0.870 612 N CB -0.543 38.014 38.487 0.117 0.000 0.977 612 N HN 0.508 nan 8.380 nan 0.000 0.434 613 S N 0.416 116.316 115.700 0.333 0.000 2.421 613 S HA -0.044 4.415 4.470 -0.018 0.000 0.224 613 S C 1.851 176.827 174.600 0.627 0.000 1.035 613 S CA 0.142 58.659 58.200 0.527 0.000 0.953 613 S CB 0.096 63.535 63.200 0.398 0.000 0.810 613 S HN 0.397 nan 8.310 nan 0.000 0.497 614 Q N 1.175 121.278 119.800 0.506 0.000 2.170 614 Q HA -0.038 4.291 4.340 -0.018 0.000 0.203 614 Q C 1.887 177.921 176.000 0.058 0.000 0.976 614 Q CA 0.977 56.904 55.803 0.207 0.000 0.858 614 Q CB -0.283 28.542 28.738 0.146 0.000 0.907 614 Q HN 0.474 nan 8.270 nan 0.000 0.433 615 L N -0.451 120.880 121.223 0.179 0.000 2.012 615 L HA -0.235 4.093 4.340 -0.018 0.000 0.210 615 L C 2.086 178.996 176.870 0.067 0.000 1.073 615 L CA 1.526 56.471 54.840 0.176 0.000 0.748 615 L CB -0.680 41.365 42.059 -0.023 0.000 0.891 615 L HN 0.342 nan 8.230 nan 0.000 0.431 616 Y N -0.429 119.904 120.300 0.056 0.000 2.315 616 Y HA -0.266 4.273 4.550 -0.018 0.000 0.288 616 Y C 2.477 178.323 175.900 -0.090 0.000 1.154 616 Y CA 0.912 58.945 58.100 -0.111 0.000 1.229 616 Y CB -0.178 38.298 38.460 0.027 0.000 0.980 616 Y HN 0.130 nan 8.280 nan 0.000 0.540 617 L N -1.623 119.624 121.223 0.039 0.000 2.093 617 L HA -0.210 4.119 4.340 -0.018 0.000 0.208 617 L C 1.888 178.661 176.870 -0.161 0.000 1.085 617 L CA 1.148 55.883 54.840 -0.175 0.000 0.755 617 L CB -0.339 41.336 42.059 -0.641 0.000 0.904 617 L HN 0.215 nan 8.230 nan 0.000 0.435 618 F N -0.075 119.880 119.950 0.008 0.000 2.084 618 F HA -0.250 4.265 4.527 -0.018 0.000 0.296 618 F C 2.593 178.504 175.800 0.185 0.000 1.111 618 F CA 1.480 59.524 58.000 0.074 0.000 1.224 618 F CB -0.315 38.721 39.000 0.060 0.000 0.991 618 F HN 0.080 nan 8.300 nan 0.000 0.471 619 E N -0.105 120.272 120.200 0.296 0.000 2.273 619 E HA -0.215 4.124 4.350 -0.018 0.000 0.198 619 E C 1.676 178.385 176.600 0.181 0.000 1.002 619 E CA 1.650 58.158 56.400 0.179 0.000 0.828 619 E CB -0.064 29.614 29.700 -0.037 0.000 0.747 619 E HN 0.339 nan 8.360 nan 0.000 0.491 620 T N -0.485 114.177 114.554 0.181 0.000 2.978 620 T HA -0.026 4.313 4.350 -0.018 0.000 0.262 620 T C 1.828 176.597 174.700 0.116 0.000 1.063 620 T CA 0.749 62.953 62.100 0.174 0.000 1.140 620 T CB 0.132 69.086 68.868 0.143 0.000 0.886 620 T HN 0.025 nan 8.240 nan 0.000 0.470 621 V N 1.759 121.782 119.914 0.181 0.000 2.343 621 V HA -0.085 4.024 4.120 -0.018 0.000 0.247 621 V C 2.887 179.085 176.094 0.174 0.000 1.051 621 V CA 1.973 64.392 62.300 0.199 0.000 1.036 621 V CB -1.391 30.589 31.823 0.262 0.000 0.654 621 V HN 0.564 nan 8.190 nan 0.000 0.451 622 G N 0.158 109.080 108.800 0.203 0.000 2.440 622 G HA2 -0.216 3.733 3.960 -0.018 0.000 0.218 622 G HA3 -0.216 3.733 3.960 -0.018 0.000 0.218 622 G C 1.629 176.231 174.900 -0.497 0.000 1.154 622 G CA 1.386 46.274 45.100 -0.353 0.000 0.767 622 G HN 0.418 nan 8.290 nan 0.000 0.552 623 V N 0.843 120.645 119.914 -0.188 0.000 2.358 623 V HA -0.090 4.019 4.120 -0.018 0.000 0.246 623 V C 2.875 178.874 176.094 -0.157 0.000 1.047 623 V CA 1.251 63.453 62.300 -0.163 0.000 1.035 623 V CB -0.483 31.299 31.823 -0.069 0.000 0.658 623 V HN 0.325 nan 8.190 nan 0.000 0.452 624 L N -0.519 120.649 121.223 -0.093 0.000 2.017 624 L HA -0.172 4.157 4.340 -0.018 0.000 0.208 624 L C 2.439 179.268 176.870 -0.068 0.000 1.073 624 L CA 1.792 56.605 54.840 -0.045 0.000 0.745 624 L CB -0.465 41.612 42.059 0.030 0.000 0.894 624 L HN 0.264 nan 8.230 nan 0.000 0.432 625 I N -0.355 120.153 120.570 -0.103 0.000 2.252 625 I HA -0.250 3.909 4.170 -0.018 0.000 0.245 625 I C 2.650 178.666 176.117 -0.168 0.000 1.102 625 I CA 1.686 62.927 61.300 -0.098 0.000 1.385 625 I CB -0.386 37.591 38.000 -0.039 0.000 1.064 625 I HN 0.353 nan 8.210 nan 0.000 0.414 626 S N -0.334 115.145 115.700 -0.368 0.000 2.527 626 S HA -0.023 4.436 4.470 -0.018 0.000 0.222 626 S C 1.577 176.102 174.600 -0.124 0.000 0.985 626 S CA 0.664 58.703 58.200 -0.269 0.000 0.921 626 S CB -0.167 62.751 63.200 -0.471 0.000 0.772 626 S HN 0.501 nan 8.310 nan 0.000 0.529 627 S N -0.493 115.137 115.700 -0.117 0.000 2.733 627 S HA 0.501 4.960 4.470 -0.018 0.000 0.247 627 S C 1.037 175.607 174.600 -0.051 0.000 1.043 627 S CA -0.127 58.030 58.200 -0.073 0.000 1.066 627 S CB -0.108 63.043 63.200 -0.080 0.000 1.045 627 S HN 0.556 nan 8.310 nan 0.000 0.586 628 G N 1.625 110.398 108.800 -0.045 0.000 2.468 628 G HA2 0.406 4.355 3.960 -0.018 0.000 0.264 628 G HA3 0.406 4.355 3.960 -0.018 0.000 0.264 628 G C 0.552 175.440 174.900 -0.021 0.000 1.460 628 G CA 0.009 45.095 45.100 -0.023 0.000 1.060 628 G HN 0.681 nan 8.290 nan 0.000 0.543 629 N N -1.242 117.448 118.700 -0.016 0.000 2.241 629 N HA 0.417 5.146 4.740 -0.018 0.000 0.238 629 N C 0.581 176.087 175.510 -0.007 0.000 1.244 629 N CA -0.328 52.712 53.050 -0.015 0.000 0.880 629 N CB -0.059 38.413 38.487 -0.025 0.000 1.179 629 N HN 0.411 nan 8.380 nan 0.000 0.513 630 L N 1.732 122.955 121.223 0.001 0.000 2.485 630 L HA 0.171 4.500 4.340 -0.018 0.000 0.275 630 L C 0.637 177.514 176.870 0.013 0.000 1.207 630 L CA -0.242 54.603 54.840 0.009 0.000 0.855 630 L CB 0.476 42.548 42.059 0.021 0.000 1.114 630 L HN 0.214 nan 8.230 nan 0.000 0.485 631 T N 4.500 119.062 114.554 0.013 0.000 2.923 631 T HA -0.026 4.313 4.350 -0.018 0.000 0.304 631 T C -1.085 173.629 174.700 0.023 0.000 1.044 631 T CA -0.723 61.386 62.100 0.015 0.000 1.141 631 T CB 0.478 69.355 68.868 0.014 0.000 1.023 631 T HN 0.578 nan 8.240 nan 0.000 0.533 632 P HA -0.210 nan 4.420 nan 0.000 0.217 632 P C 1.316 178.638 177.300 0.037 0.000 1.148 632 P CA 1.910 65.029 63.100 0.031 0.000 0.834 632 P CB 0.151 31.866 31.700 0.025 0.000 0.783 633 E N 0.887 121.105 120.200 0.030 0.000 2.150 633 E HA -0.189 4.150 4.350 -0.018 0.000 0.193 633 E C 1.919 178.542 176.600 0.038 0.000 0.985 633 E CA 1.239 57.658 56.400 0.031 0.000 0.814 633 E CB -1.097 28.617 29.700 0.023 0.000 0.752 633 E HN 0.497 nan 8.360 nan 0.000 0.466 634 E N 0.139 120.362 120.200 0.039 0.000 2.033 634 E HA -0.178 4.161 4.350 -0.018 0.000 0.189 634 E C 2.495 179.133 176.600 0.064 0.000 0.979 634 E CA 1.063 57.490 56.400 0.045 0.000 0.802 634 E CB -0.143 29.579 29.700 0.038 0.000 0.763 634 E HN 0.781 nan 8.360 nan 0.000 0.449 635 Q N 0.555 120.396 119.800 0.068 0.000 2.376 635 Q HA -0.111 4.218 4.340 -0.018 0.000 0.211 635 Q C 1.787 177.864 176.000 0.129 0.000 0.986 635 Q CA 1.393 57.255 55.803 0.097 0.000 0.886 635 Q CB -0.142 28.647 28.738 0.085 0.000 0.927 635 Q HN 0.138 nan 8.270 nan 0.000 0.457 636 A N 0.747 123.625 122.820 0.096 0.000 2.044 636 A HA 0.261 4.570 4.320 -0.018 0.000 0.213 636 A C 2.416 180.054 177.584 0.090 0.000 1.169 636 A CA 0.874 52.967 52.037 0.093 0.000 0.724 636 A CB -0.657 18.380 19.000 0.061 0.000 0.840 636 A HN 0.435 nan 8.150 nan 0.000 0.463 637 L N -1.769 119.500 121.223 0.077 0.000 2.095 637 L HA 0.139 4.468 4.340 -0.018 0.000 0.204 637 L C 2.916 179.833 176.870 0.079 0.000 1.080 637 L CA 2.402 57.282 54.840 0.065 0.000 0.759 637 L CB -2.372 39.717 42.059 0.050 0.000 0.914 637 L HN 0.760 nan 8.230 nan 0.000 0.439 638 Y N -1.840 118.519 120.300 0.099 0.000 2.184 638 Y HA -0.213 4.326 4.550 -0.018 0.000 0.290 638 Y C 2.949 178.945 175.900 0.160 0.000 1.129 638 Y CA 1.823 59.990 58.100 0.112 0.000 1.144 638 Y CB -1.334 37.197 38.460 0.118 0.000 0.995 638 Y HN 0.529 nan 8.280 nan 0.000 0.513 639 C N 0.442 119.894 119.300 0.254 0.000 2.429 639 C HA -0.029 4.420 4.460 -0.018 0.000 0.277 639 C C 2.990 178.122 174.990 0.237 0.000 1.262 639 C CA 1.366 60.630 59.018 0.411 0.000 1.733 639 C CB -1.450 26.582 27.740 0.488 0.000 2.010 639 C HN 0.807 nan 8.230 nan 0.000 0.483 640 D N 0.276 120.764 120.400 0.147 0.000 2.117 640 D HA -0.069 4.560 4.640 -0.018 0.000 0.197 640 D C 2.257 178.587 176.300 0.050 0.000 0.987 640 D CA 1.878 55.929 54.000 0.085 0.000 0.829 640 D CB -0.768 40.069 40.800 0.062 0.000 0.961 640 D HN 0.658 nan 8.370 nan 0.000 0.460 641 S N -0.476 115.252 115.700 0.046 0.000 2.382 641 S HA 0.175 4.634 4.470 -0.018 0.000 0.228 641 S C 2.078 176.666 174.600 -0.021 0.000 1.027 641 S CA 1.574 59.785 58.200 0.017 0.000 0.991 641 S CB -0.340 62.876 63.200 0.025 0.000 0.823 641 S HN 0.467 nan 8.310 nan 0.000 0.469 642 L N 1.080 122.268 121.223 -0.059 0.000 2.068 642 L HA 0.112 4.441 4.340 -0.018 0.000 0.204 642 L C 2.773 179.528 176.870 -0.192 0.000 1.076 642 L CA 1.623 56.355 54.840 -0.180 0.000 0.753 642 L CB -0.508 41.285 42.059 -0.443 0.000 0.910 642 L HN 0.417 nan 8.230 nan 0.000 0.439 643 I N 0.685 121.179 120.570 -0.128 0.000 2.127 643 I HA -0.335 3.824 4.170 -0.018 0.000 0.241 643 I C 2.265 178.351 176.117 -0.052 0.000 1.075 643 I CA 2.384 63.645 61.300 -0.064 0.000 1.334 643 I CB -2.143 35.887 38.000 0.050 0.000 1.040 643 I HN 0.764 nan 8.210 nan 0.000 0.405 644 N N 1.817 120.501 118.700 -0.026 0.000 2.381 644 N HA 0.061 4.790 4.740 -0.018 0.000 0.182 644 N C 1.585 177.078 175.510 -0.028 0.000 1.025 644 N CA 1.815 54.853 53.050 -0.020 0.000 0.888 644 N CB -0.822 37.662 38.487 -0.005 0.000 0.965 644 N HN 0.704 nan 8.380 nan 0.000 0.438 645 A N 0.568 123.364 122.820 -0.039 0.000 1.930 645 A HA 0.284 4.593 4.320 -0.018 0.000 0.215 645 A C 2.746 180.304 177.584 -0.043 0.000 1.176 645 A CA 1.742 53.760 52.037 -0.032 0.000 0.632 645 A CB -0.948 18.034 19.000 -0.029 0.000 0.819 645 A HN 0.396 nan 8.150 nan 0.000 0.445 646 L N -0.596 120.580 121.223 -0.079 0.000 2.179 646 L HA 0.261 4.590 4.340 -0.018 0.000 0.208 646 L C 2.870 179.695 176.870 -0.074 0.000 1.096 646 L CA 2.080 56.859 54.840 -0.102 0.000 0.779 646 L CB -2.028 39.913 42.059 -0.196 0.000 0.922 646 L HN 0.665 nan 8.230 nan 0.000 0.443 647 I N -0.333 120.203 120.570 -0.057 0.000 2.286 647 I HA 0.189 4.348 4.170 -0.018 0.000 0.245 647 I C 2.822 178.924 176.117 -0.024 0.000 1.104 647 I CA 1.949 63.226 61.300 -0.038 0.000 1.397 647 I CB -1.729 36.254 38.000 -0.028 0.000 1.072 647 I HN 0.401 nan 8.210 nan 0.000 0.417 648 G N 0.013 108.800 108.800 -0.020 0.000 2.432 648 G HA2 -0.273 3.675 3.960 -0.018 0.000 0.219 648 G HA3 -0.273 3.675 3.960 -0.018 0.000 0.219 648 G C 1.831 176.727 174.900 -0.007 0.000 1.135 648 G CA 0.953 46.047 45.100 -0.011 0.000 0.767 648 G HN 0.649 nan 8.290 nan 0.000 0.550 649 K N 0.904 121.298 120.400 -0.011 0.000 2.002 649 K HA 0.010 4.319 4.320 -0.018 0.000 0.209 649 K C 2.753 179.354 176.600 0.001 0.000 1.048 649 K CA 1.427 57.712 56.287 -0.003 0.000 0.930 649 K CB -0.443 32.053 32.500 -0.005 0.000 0.714 649 K HN 0.182 nan 8.250 nan 0.000 0.438 650 A N 0.875 123.691 122.820 -0.006 0.000 1.930 650 A HA -0.191 4.118 4.320 -0.018 0.000 0.217 650 A C 2.183 179.771 177.584 0.006 0.000 1.175 650 A CA 2.103 54.141 52.037 0.002 0.000 0.627 650 A CB -1.375 17.622 19.000 -0.006 0.000 0.815 650 A HN 0.668 nan 8.150 nan 0.000 0.443 651 N N 0.253 118.954 118.700 0.001 0.000 2.142 651 N HA 0.083 4.812 4.740 -0.018 0.000 0.186 651 N C 2.207 177.721 175.510 0.007 0.000 1.023 651 N CA 2.111 55.163 53.050 0.004 0.000 0.852 651 N CB -0.810 37.677 38.487 -0.000 0.000 0.998 651 N HN 0.757 nan 8.380 nan 0.000 0.424 652 A N 0.460 123.284 122.820 0.006 0.000 1.898 652 A HA 0.374 4.683 4.320 -0.018 0.000 0.216 652 A C 2.789 180.380 177.584 0.012 0.000 1.181 652 A CA 2.020 54.062 52.037 0.008 0.000 0.620 652 A CB -0.907 18.098 19.000 0.008 0.000 0.819 652 A HN 0.984 nan 8.150 nan 0.000 0.442 653 A N -0.341 122.488 122.820 0.015 0.000 1.933 653 A HA 0.126 4.435 4.320 -0.018 0.000 0.218 653 A C 2.380 179.978 177.584 0.023 0.000 1.175 653 A CA 2.187 54.236 52.037 0.020 0.000 0.628 653 A CB -1.275 17.740 19.000 0.024 0.000 0.814 653 A HN 1.301 nan 8.150 nan 0.000 0.444 654 L N -1.055 120.181 121.223 0.022 0.000 2.351 654 L HA -0.025 4.304 4.340 -0.018 0.000 0.220 654 L C 2.557 179.439 176.870 0.021 0.000 1.127 654 L CA 2.670 57.525 54.840 0.025 0.000 0.786 654 L CB -1.830 40.242 42.059 0.022 0.000 0.914 654 L HN 0.563 nan 8.230 nan 0.000 0.443 655 S N -0.901 114.809 115.700 0.017 0.000 2.575 655 S HA 0.028 4.487 4.470 -0.018 0.000 0.215 655 S C 1.903 176.511 174.600 0.013 0.000 0.966 655 S CA 0.929 59.137 58.200 0.013 0.000 0.911 655 S CB -0.470 62.736 63.200 0.011 0.000 0.780 655 S HN 1.005 nan 8.310 nan 0.000 0.514 656 S N 0.174 115.884 115.700 0.016 0.000 2.577 656 S HA 0.294 4.753 4.470 -0.018 0.000 0.219 656 S C 0.591 175.200 174.600 0.016 0.000 0.962 656 S CA 0.796 59.006 58.200 0.016 0.000 0.921 656 S CB -0.869 62.342 63.200 0.018 0.000 0.789 656 S HN 0.820 nan 8.310 nan 0.000 0.497 657 D N -0.907 119.502 120.400 0.016 0.000 2.716 657 D HA 0.095 4.723 4.640 -0.018 0.000 0.239 657 D C 0.208 176.519 176.300 0.018 0.000 1.125 657 D CA 0.802 54.810 54.000 0.014 0.000 0.681 657 D CB -2.485 38.319 40.800 0.007 0.000 1.070 657 D HN 1.374 nan 8.370 nan 0.000 0.432 658 L N -2.417 118.824 121.223 0.030 0.000 2.439 658 L HA 1.080 5.409 4.340 -0.018 0.000 0.261 658 L C 1.174 178.076 176.870 0.054 0.000 1.153 658 L CA 0.821 55.686 54.840 0.041 0.000 0.808 658 L CB 0.943 43.033 42.059 0.051 0.000 1.126 658 L HN 2.357 nan 8.230 nan 0.000 0.460 663 N N 0.245 118.979 118.700 0.056 0.000 2.388 663 N HA 0.342 5.071 4.740 -0.018 0.000 0.176 663 N C 2.469 178.021 175.510 0.069 0.000 1.062 663 N CA 1.798 54.883 53.050 0.058 0.000 0.895 663 N CB -0.356 38.163 38.487 0.052 0.000 1.018 663 N HN 1.721 nan 8.380 nan 0.000 0.456 664 I N 1.200 121.817 120.570 0.077 0.000 2.087 664 I HA -0.080 4.079 4.170 -0.018 0.000 0.240 664 I C 3.079 179.247 176.117 0.085 0.000 1.054 664 I CA 2.870 64.214 61.300 0.073 0.000 1.311 664 I CB -1.778 36.263 38.000 0.068 0.000 1.024 664 I HN 0.674 nan 8.210 nan 0.000 0.402 665 I N -0.213 120.407 120.570 0.082 0.000 2.151 665 I HA -0.248 3.911 4.170 -0.018 0.000 0.243 665 I C 2.867 179.071 176.117 0.145 0.000 1.080 665 I CA 3.336 64.711 61.300 0.125 0.000 1.339 665 I CB -1.679 36.375 38.000 0.091 0.000 1.039 665 I HN 0.698 nan 8.210 nan 0.000 0.409 666 S N -0.109 115.646 115.700 0.093 0.000 2.383 666 S HA -0.111 4.348 4.470 -0.018 0.000 0.229 666 S C 2.186 176.816 174.600 0.051 0.000 1.030 666 S CA 2.640 60.879 58.200 0.066 0.000 1.002 666 S CB -0.865 62.365 63.200 0.052 0.000 0.829 666 S HN 1.277 nan 8.310 nan 0.000 0.467 667 V N 1.368 121.321 119.914 0.065 0.000 2.239 667 V HA -0.021 4.088 4.120 -0.018 0.000 0.242 667 V C 2.160 178.283 176.094 0.048 0.000 1.038 667 V CA 2.358 64.686 62.300 0.046 0.000 1.002 667 V CB -1.591 30.264 31.823 0.054 0.000 0.641 667 V HN 0.602 nan 8.190 nan 0.000 0.449 668 Y N 1.685 121.969 120.300 -0.026 0.000 2.062 668 Y HA -0.442 4.096 4.550 -0.018 0.000 0.276 668 Y C 2.885 178.768 175.900 -0.028 0.000 1.189 668 Y CA 2.874 60.954 58.100 -0.035 0.000 1.130 668 Y CB -0.923 37.511 38.460 -0.043 0.000 0.959 668 Y HN 0.610 nan 8.280 nan 0.000 0.499 669 C N -1.423 117.773 119.300 -0.173 0.000 2.435 669 C HA -0.027 4.422 4.460 -0.018 0.000 0.279 669 C C 2.683 177.547 174.990 -0.209 0.000 1.321 669 C CA 0.953 59.819 59.018 -0.253 0.000 1.752 669 C CB -1.468 26.261 27.740 -0.020 0.000 1.959 669 C HN 0.565 nan 8.230 nan 0.000 0.500 670 S N 1.322 116.944 115.700 -0.131 0.000 2.402 670 S HA 0.008 4.467 4.470 -0.018 0.000 0.229 670 S C 2.393 176.895 174.600 -0.163 0.000 1.021 670 S CA 1.842 59.960 58.200 -0.137 0.000 0.974 670 S CB -0.692 62.462 63.200 -0.076 0.000 0.800 670 S HN 0.962 nan 8.310 nan 0.000 0.484 671 L N 1.140 122.271 121.223 -0.154 0.000 1.988 671 L HA 0.105 4.434 4.340 -0.018 0.000 0.207 671 L C 2.520 179.314 176.870 -0.128 0.000 1.071 671 L CA 1.770 56.541 54.840 -0.115 0.000 0.744 671 L CB -1.601 40.407 42.059 -0.085 0.000 0.893 671 L HN 0.302 nan 8.230 nan 0.000 0.433 672 M N -0.010 119.423 119.600 -0.278 0.000 2.195 672 M HA -0.165 4.304 4.480 -0.018 0.000 0.260 672 M C 2.578 178.795 176.300 -0.137 0.000 1.066 672 M CA 1.705 56.859 55.300 -0.244 0.000 1.089 672 M CB -1.565 30.728 32.600 -0.513 0.000 1.377 672 M HN 0.645 nan 8.290 nan 0.000 0.411 673 A N 0.529 123.190 122.820 -0.265 0.000 1.841 673 A HA -0.187 4.122 4.320 -0.018 0.000 0.216 673 A C 2.452 179.847 177.584 -0.316 0.000 1.199 673 A CA 2.312 54.034 52.037 -0.524 0.000 0.621 673 A CB -1.397 17.115 19.000 -0.813 0.000 0.835 673 A HN 0.336 nan 8.150 nan 0.000 0.445 674 I N 0.233 120.686 120.570 -0.195 0.000 2.145 674 I HA -0.210 3.949 4.170 -0.018 0.000 0.244 674 I C 2.555 178.723 176.117 0.085 0.000 1.075 674 I CA 2.118 63.411 61.300 -0.011 0.000 1.332 674 I CB -1.739 36.247 38.000 -0.023 0.000 1.033 674 I HN 0.546 nan 8.210 nan 0.000 0.410 675 G N 0.436 109.295 108.800 0.098 0.000 2.491 675 G HA2 -0.338 3.611 3.960 -0.018 0.000 0.218 675 G HA3 -0.338 3.611 3.960 -0.018 0.000 0.218 675 G C 1.439 176.437 174.900 0.164 0.000 1.180 675 G CA 1.104 46.283 45.100 0.132 0.000 0.774 675 G HN 0.593 nan 8.290 nan 0.000 0.562 676 N N -0.172 118.680 118.700 0.253 0.000 2.396 676 N HA -0.048 4.680 4.740 -0.018 0.000 0.180 676 N C 1.769 177.426 175.510 0.246 0.000 1.028 676 N CA 0.508 53.688 53.050 0.217 0.000 0.893 676 N CB -0.209 38.370 38.487 0.155 0.000 0.967 676 N HN 0.333 nan 8.380 nan 0.000 0.440 677 F N 2.213 122.218 119.950 0.092 0.000 2.234 677 F HA 0.054 4.569 4.527 -0.018 0.000 0.299 677 F C 2.191 178.154 175.800 0.271 0.000 1.087 677 F CA 0.561 58.663 58.000 0.170 0.000 1.340 677 F CB -0.370 38.688 39.000 0.095 0.000 1.031 677 F HN -0.032 nan 8.300 nan 0.000 0.500 678 A N 0.500 123.361 122.820 0.069 0.000 1.877 678 A HA -0.197 4.112 4.320 -0.018 0.000 0.216 678 A C 2.300 179.906 177.584 0.037 0.000 1.186 678 A CA 1.678 53.670 52.037 -0.076 0.000 0.620 678 A CB -0.722 18.205 19.000 -0.121 0.000 0.822 678 A HN 0.391 nan 8.150 nan 0.000 0.443 679 K N -0.763 119.674 120.400 0.061 0.000 2.211 679 K HA -0.125 4.184 4.320 -0.018 0.000 0.204 679 K C 1.366 178.038 176.600 0.121 0.000 1.047 679 K CA 0.941 57.279 56.287 0.085 0.000 0.935 679 K CB -0.337 32.226 32.500 0.104 0.000 0.728 679 K HN 0.461 nan 8.250 nan 0.000 0.452 680 G N 0.338 109.213 108.800 0.125 0.000 3.496 680 G HA2 0.226 4.175 3.960 -0.018 0.000 0.273 680 G HA3 0.226 4.175 3.960 -0.018 0.000 0.273 680 G C -0.472 174.404 174.900 -0.040 0.000 1.279 680 G CA -0.197 44.939 45.100 0.059 0.000 1.041 680 G HN -0.016 nan 8.290 nan 0.000 0.539 681 F N -0.728 119.154 119.950 -0.113 0.000 2.686 681 F HA 0.439 4.955 4.527 -0.018 0.000 0.311 681 F C -2.260 173.489 175.800 -0.085 0.000 1.128 681 F CA -2.144 55.774 58.000 -0.136 0.000 0.946 681 F CB 2.326 41.206 39.000 -0.201 0.000 1.336 681 F HN -0.187 nan 8.300 nan 0.000 0.457 682 P HA 0.329 nan 4.420 nan 0.000 0.282 682 P C -0.594 176.758 177.300 0.086 0.000 1.262 682 P CA -0.101 63.065 63.100 0.109 0.000 0.773 682 P CB 1.519 33.264 31.700 0.076 0.000 0.879 683 A N 2.985 125.828 122.820 0.038 0.000 2.431 683 A HA 0.306 4.615 4.320 -0.018 0.000 0.239 683 A C 2.166 179.764 177.584 0.023 0.000 1.230 683 A CA 0.681 52.724 52.037 0.010 0.000 0.928 683 A CB -0.575 18.426 19.000 0.003 0.000 1.006 683 A HN 0.475 nan 8.150 nan 0.000 0.520 684 R N -0.087 120.426 120.500 0.022 0.000 2.196 684 R HA -0.058 4.271 4.340 -0.018 0.000 0.244 684 R C 2.363 178.682 176.300 0.031 0.000 1.121 684 R CA 2.637 58.750 56.100 0.021 0.000 0.930 684 R CB -1.979 28.328 30.300 0.012 0.000 0.890 684 R HN 2.126 nan 8.270 nan 0.000 0.435 685 G N -3.546 105.265 108.800 0.019 0.000 2.132 685 G HA2 0.062 4.011 3.960 -0.018 0.000 0.234 685 G HA3 0.062 4.011 3.960 -0.018 0.000 0.234 685 G C 1.294 176.202 174.900 0.013 0.000 0.989 685 G CA 1.473 46.580 45.100 0.011 0.000 0.676 685 G HN 1.641 nan 8.290 nan 0.000 0.522 686 S N -0.746 114.962 115.700 0.013 0.000 2.371 686 S HA 0.629 5.088 4.470 -0.018 0.000 0.219 686 S C 1.198 175.802 174.600 0.007 0.000 1.040 686 S CA 2.210 60.416 58.200 0.010 0.000 0.958 686 S CB -0.189 63.015 63.200 0.008 0.000 0.860 686 S HN 1.948 nan 8.310 nan 0.000 0.487 687 E N 0.570 120.775 120.200 0.008 0.000 2.349 687 E HA 0.554 4.893 4.350 -0.018 0.000 0.262 687 E C -0.123 176.482 176.600 0.008 0.000 1.088 687 E CA -0.096 56.309 56.400 0.007 0.000 0.899 687 E CB -0.520 29.185 29.700 0.008 0.000 1.044 687 E HN 0.840 nan 8.360 nan 0.000 0.420 688 E N 0.232 120.436 120.200 0.007 0.000 2.180 688 E HA 0.504 4.843 4.350 -0.018 0.000 0.283 688 E C -0.521 176.086 176.600 0.011 0.000 1.061 688 E CA -0.339 56.065 56.400 0.006 0.000 0.861 688 E CB 0.733 30.436 29.700 0.005 0.000 1.056 688 E HN 0.684 nan 8.360 nan 0.000 0.407 689 V N 1.410 121.331 119.914 0.011 0.000 2.604 689 V HA 0.608 4.717 4.120 -0.018 0.000 0.305 689 V C 1.474 177.579 176.094 0.018 0.000 1.043 689 V CA -0.139 62.175 62.300 0.022 0.000 0.888 689 V CB 1.536 33.381 31.823 0.037 0.000 0.995 689 V HN 0.962 nan 8.190 nan 0.000 0.429 690 A N 2.163 125.002 122.820 0.032 0.000 2.178 690 A HA -0.089 4.220 4.320 -0.018 0.000 0.218 690 A C 1.863 179.466 177.584 0.032 0.000 1.157 690 A CA 1.904 53.960 52.037 0.031 0.000 0.689 690 A CB -0.612 18.413 19.000 0.042 0.000 0.787 690 A HN 1.522 nan 8.150 nan 0.000 0.465 691 W N -0.277 121.045 121.300 0.037 0.000 3.180 691 W HA 0.457 5.106 4.660 -0.018 0.000 0.254 691 W C 1.554 177.999 176.519 -0.123 0.000 1.318 691 W CA 0.681 58.018 57.345 -0.014 0.000 1.608 691 W CB -0.797 28.686 29.460 0.039 0.000 1.124 691 W HN 0.332 nan 8.180 nan 0.000 0.694 692 L N 0.230 121.408 121.223 -0.075 0.000 2.168 692 L HA 0.054 4.383 4.340 -0.018 0.000 0.203 692 L C 3.024 179.857 176.870 -0.063 0.000 1.078 692 L CA 1.165 55.954 54.840 -0.086 0.000 0.780 692 L CB -1.103 40.922 42.059 -0.056 0.000 0.939 692 L HN 0.278 nan 8.230 nan 0.000 0.451 693 A N 0.092 122.891 122.820 -0.034 0.000 1.908 693 A HA -0.191 4.118 4.320 -0.018 0.000 0.218 693 A C 2.512 180.083 177.584 -0.022 0.000 1.181 693 A CA 2.238 54.262 52.037 -0.022 0.000 0.627 693 A CB -0.603 18.393 19.000 -0.006 0.000 0.818 693 A HN 0.376 nan 8.150 nan 0.000 0.445 694 S N -1.331 114.359 115.700 -0.017 0.000 2.368 694 S HA -0.055 4.404 4.470 -0.018 0.000 0.224 694 S C 1.971 176.555 174.600 -0.026 0.000 1.029 694 S CA 1.545 59.744 58.200 -0.002 0.000 0.988 694 S CB -1.068 62.153 63.200 0.035 0.000 0.838 694 S HN 0.875 nan 8.310 nan 0.000 0.462 695 F N 2.614 122.518 119.950 -0.077 0.000 2.202 695 F HA -0.152 4.364 4.527 -0.018 0.000 0.301 695 F C 2.374 178.129 175.800 -0.075 0.000 1.082 695 F CA 1.594 59.528 58.000 -0.110 0.000 1.313 695 F CB -1.429 37.450 39.000 -0.203 0.000 1.024 695 F HN 0.283 nan 8.300 nan 0.000 0.495 696 N N 0.692 119.355 118.700 -0.062 0.000 2.069 696 N HA -0.175 4.554 4.740 -0.018 0.000 0.191 696 N C 2.213 177.703 175.510 -0.034 0.000 1.031 696 N CA 2.311 55.332 53.050 -0.048 0.000 0.852 696 N CB -0.778 37.686 38.487 -0.038 0.000 1.018 696 N HN 0.583 nan 8.380 nan 0.000 0.423 697 K N 1.127 121.512 120.400 -0.025 0.000 2.211 697 K HA 0.074 4.383 4.320 -0.018 0.000 0.204 697 K C 2.111 178.700 176.600 -0.018 0.000 1.047 697 K CA 1.477 57.754 56.287 -0.016 0.000 0.935 697 K CB -0.974 31.521 32.500 -0.008 0.000 0.728 697 K HN 0.346 nan 8.250 nan 0.000 0.452 698 A N 0.710 123.517 122.820 -0.022 0.000 1.969 698 A HA 0.155 4.464 4.320 -0.018 0.000 0.218 698 A C 2.868 180.436 177.584 -0.026 0.000 1.169 698 A CA 2.165 54.189 52.037 -0.022 0.000 0.635 698 A CB -0.868 18.118 19.000 -0.023 0.000 0.810 698 A HN 0.775 nan 8.150 nan 0.000 0.445 699 S N -0.268 115.414 115.700 -0.031 0.000 2.368 699 S HA 0.003 4.462 4.470 -0.018 0.000 0.224 699 S C 1.792 176.379 174.600 -0.023 0.000 1.029 699 S CA 2.015 60.197 58.200 -0.030 0.000 0.988 699 S CB -1.083 62.096 63.200 -0.035 0.000 0.838 699 S HN 0.744 nan 8.310 nan 0.000 0.462 700 D N 0.405 120.793 120.400 -0.020 0.000 2.084 700 D HA 0.090 4.718 4.640 -0.018 0.000 0.194 700 D C 2.148 178.440 176.300 -0.013 0.000 0.990 700 D CA 2.749 56.740 54.000 -0.016 0.000 0.826 700 D CB -1.269 39.523 40.800 -0.013 0.000 0.971 700 D HN 0.714 nan 8.370 nan 0.000 0.453 701 E N -0.362 119.830 120.200 -0.013 0.000 2.047 701 E HA 0.158 4.497 4.350 -0.018 0.000 0.191 701 E C 2.561 179.154 176.600 -0.013 0.000 0.987 701 E CA 2.170 58.563 56.400 -0.012 0.000 0.799 701 E CB -1.419 28.274 29.700 -0.013 0.000 0.752 701 E HN 1.295 nan 8.360 nan 0.000 0.449 702 I N 0.204 120.765 120.570 -0.016 0.000 2.335 702 I HA 0.140 4.298 4.170 -0.018 0.000 0.251 702 I C 2.913 179.021 176.117 -0.015 0.000 1.129 702 I CA 2.783 64.074 61.300 -0.016 0.000 1.402 702 I CB -2.127 35.861 38.000 -0.019 0.000 1.069 702 I HN 0.695 nan 8.210 nan 0.000 0.424 703 F N 0.378 120.319 119.950 -0.016 0.000 2.134 703 F HA 0.140 4.656 4.527 -0.018 0.000 0.299 703 F C 2.820 178.615 175.800 -0.010 0.000 1.097 703 F CA 2.842 60.833 58.000 -0.015 0.000 1.264 703 F CB -1.251 37.740 39.000 -0.015 0.000 1.001 703 F HN 0.782 nan 8.300 nan 0.000 0.479 704 L N 0.766 121.985 121.223 -0.007 0.000 2.131 704 L HA 0.111 4.440 4.340 -0.018 0.000 0.210 704 L C 2.833 179.704 176.870 0.002 0.000 1.092 704 L CA 2.735 57.574 54.840 -0.002 0.000 0.759 704 L CB -2.367 39.692 42.059 -0.001 0.000 0.903 704 L HN 0.955 nan 8.230 nan 0.000 0.435 705 I N -1.286 119.284 120.570 -0.000 0.000 2.233 705 I HA 0.152 4.311 4.170 -0.018 0.000 0.243 705 I C 2.992 179.112 176.117 0.005 0.000 1.093 705 I CA 2.697 63.999 61.300 0.004 0.000 1.380 705 I CB -1.466 36.533 38.000 -0.000 0.000 1.067 705 I HN 0.828 nan 8.210 nan 0.000 0.413 706 L N 1.059 122.280 121.223 -0.004 0.000 2.043 706 L HA -0.180 4.149 4.340 -0.018 0.000 0.212 706 L C 2.493 179.365 176.870 0.004 0.000 1.075 706 L CA 3.879 58.714 54.840 -0.008 0.000 0.752 706 L CB -2.537 39.508 42.059 -0.022 0.000 0.891 706 L HN 0.757 nan 8.230 nan 0.000 0.432 707 D N -0.784 119.619 120.400 0.006 0.000 2.144 707 D HA -0.059 4.570 4.640 -0.018 0.000 0.200 707 D C 2.467 178.784 176.300 0.027 0.000 0.978 707 D CA 2.764 56.772 54.000 0.013 0.000 0.833 707 D CB -0.516 40.289 40.800 0.008 0.000 0.961 707 D HN 0.840 nan 8.370 nan 0.000 0.470 708 R N -1.405 119.112 120.500 0.029 0.000 2.189 708 R HA 0.621 4.950 4.340 -0.018 0.000 0.218 708 R C 1.961 178.305 176.300 0.073 0.000 1.074 708 R CA 1.807 57.932 56.100 0.042 0.000 0.991 708 R CB -0.772 29.548 30.300 0.033 0.000 0.883 708 R HN 1.261 nan 8.270 nan 0.000 0.457 709 M N -0.573 119.072 119.600 0.075 0.000 4.145 709 M HA 0.545 5.014 4.480 -0.018 0.000 0.493 709 M C 1.482 177.825 176.300 0.072 0.000 1.957 709 M CA 0.116 55.490 55.300 0.124 0.000 0.584 709 M CB -0.220 32.429 32.600 0.081 0.000 1.446 709 M HN 0.398 nan 8.290 nan 0.000 0.557 710 G N 0.052 108.903 108.800 0.086 0.000 2.501 710 G HA2 -0.042 3.907 3.960 -0.018 0.000 0.220 710 G HA3 -0.042 3.907 3.960 -0.018 0.000 0.220 710 G C 1.178 176.109 174.900 0.052 0.000 1.114 710 G CA 1.685 46.814 45.100 0.047 0.000 0.757 710 G HN 1.351 nan 8.290 nan 0.000 0.559 711 F N 1.698 121.643 119.950 -0.007 0.000 2.456 711 F HA 0.237 4.753 4.527 -0.019 0.000 0.298 711 F C 1.145 176.939 175.800 -0.010 0.000 1.104 711 F CA -0.092 57.902 58.000 -0.009 0.000 1.435 711 F CB -0.834 38.161 39.000 -0.008 0.000 1.078 711 F HN 0.144 nan 8.300 nan 0.000 0.546 712 N N 1.329 119.440 118.700 -0.981 0.000 2.431 712 N HA 0.237 4.966 4.740 -0.018 0.000 0.265 712 N C 1.100 176.373 175.510 -0.395 0.000 1.184 712 N CA 0.331 52.836 53.050 -0.909 0.000 0.943 712 N CB -0.088 38.013 38.487 -0.643 0.000 1.080 712 N HN 0.545 nan 8.380 nan 0.000 0.477 713 E N -0.190 119.826 120.200 -0.307 0.000 2.208 713 E HA -0.169 4.170 4.350 -0.018 0.000 0.193 713 E C 0.439 176.952 176.600 -0.144 0.000 0.988 713 E CA 1.260 57.562 56.400 -0.162 0.000 0.828 713 E CB -0.477 29.157 29.700 -0.110 0.000 0.763 713 E HN 0.825 nan 8.360 nan 0.000 0.478 714 D N 0.686 120.968 120.400 -0.197 0.000 2.194 714 D HA 0.066 4.694 4.640 -0.018 0.000 0.204 714 D C 2.085 178.359 176.300 -0.043 0.000 0.964 714 D CA 1.054 54.934 54.000 -0.200 0.000 0.846 714 D CB -0.144 40.408 40.800 -0.414 0.000 0.962 714 D HN 0.415 nan 8.370 nan 0.000 0.490 715 I N 0.813 121.345 120.570 -0.063 0.000 3.111 715 I HA -0.133 4.026 4.170 -0.018 0.000 0.272 715 I C 2.935 179.049 176.117 -0.005 0.000 1.268 715 I CA 0.271 61.580 61.300 0.015 0.000 1.467 715 I CB -0.196 37.774 38.000 -0.050 0.000 1.087 715 I HN -0.050 nan 8.210 nan 0.000 0.467 716 R N 1.087 121.562 120.500 -0.041 0.000 2.062 716 R HA 0.031 4.360 4.340 -0.018 0.000 0.229 716 R C 2.340 178.642 176.300 0.003 0.000 1.128 716 R CA 1.370 57.444 56.100 -0.043 0.000 0.960 716 R CB -1.965 28.299 30.300 -0.059 0.000 0.855 716 R HN 0.446 nan 8.270 nan 0.000 0.432 717 G N 0.276 109.097 108.800 0.035 0.000 2.408 717 G HA2 0.054 4.003 3.960 -0.018 0.000 0.217 717 G HA3 0.054 4.003 3.960 -0.018 0.000 0.217 717 G C 1.971 176.975 174.900 0.174 0.000 1.150 717 G CA 1.343 46.501 45.100 0.097 0.000 0.776 717 G HN 0.812 nan 8.290 nan 0.000 0.542 718 A N 0.696 123.622 122.820 0.177 0.000 1.845 718 A HA 0.243 4.552 4.320 -0.018 0.000 0.215 718 A C 2.804 180.494 177.584 0.176 0.000 1.195 718 A CA 2.676 54.827 52.037 0.190 0.000 0.616 718 A CB -1.059 18.060 19.000 0.198 0.000 0.832 718 A HN 0.947 nan 8.150 nan 0.000 0.443 719 V N -0.688 119.280 119.914 0.088 0.000 2.343 719 V HA -0.097 4.012 4.120 -0.018 0.000 0.247 719 V C 2.845 178.959 176.094 0.033 0.000 1.051 719 V CA 3.794 66.117 62.300 0.039 0.000 1.036 719 V CB -1.700 30.116 31.823 -0.012 0.000 0.654 719 V HN 0.694 nan 8.190 nan 0.000 0.451 720 R N -0.334 120.175 120.500 0.016 0.000 2.080 720 R HA -0.209 4.120 4.340 -0.018 0.000 0.236 720 R C 2.283 178.706 176.300 0.205 0.000 1.137 720 R CA 1.880 57.957 56.100 -0.039 0.000 0.943 720 R CB -1.660 28.599 30.300 -0.068 0.000 0.846 720 R HN 0.982 nan 8.270 nan 0.000 0.431 721 F N 2.007 122.020 119.950 0.106 0.000 2.091 721 F HA -0.208 4.308 4.527 -0.018 0.000 0.299 721 F C 2.314 178.176 175.800 0.102 0.000 1.103 721 F CA 2.612 60.686 58.000 0.123 0.000 1.228 721 F CB -0.592 38.452 39.000 0.072 0.000 0.984 721 F HN 0.241 nan 8.300 nan 0.000 0.477 722 T N 0.259 114.797 114.554 -0.025 0.000 2.788 722 T HA -0.158 4.181 4.350 -0.018 0.000 0.268 722 T C 2.367 176.983 174.700 -0.140 0.000 1.044 722 T CA 1.658 63.647 62.100 -0.185 0.000 1.139 722 T CB -0.947 67.923 68.868 0.003 0.000 0.867 722 T HN 0.550 nan 8.240 nan 0.000 0.454 723 S N 1.252 116.955 115.700 0.005 0.000 2.348 723 S HA 0.045 4.504 4.470 -0.018 0.000 0.221 723 S C 2.405 177.054 174.600 0.081 0.000 1.033 723 S CA 1.739 59.990 58.200 0.086 0.000 1.010 723 S CB -1.343 61.978 63.200 0.201 0.000 0.891 723 S HN 0.489 nan 8.310 nan 0.000 0.442 724 G N 0.922 109.824 108.800 0.169 0.000 2.503 724 G HA2 -0.235 3.714 3.960 -0.018 0.000 0.221 724 G HA3 -0.235 3.714 3.960 -0.018 0.000 0.221 724 G C 1.779 176.592 174.900 -0.146 0.000 1.131 724 G CA 1.094 46.172 45.100 -0.036 0.000 0.756 724 G HN 0.438 nan 8.290 nan 0.000 0.572 725 R N -0.454 119.882 120.500 -0.275 0.000 2.128 725 R HA 0.144 4.473 4.340 -0.018 0.000 0.211 725 R C 2.583 178.778 176.300 -0.176 0.000 1.067 725 R CA 0.615 56.562 56.100 -0.253 0.000 1.010 725 R CB -1.566 28.490 30.300 -0.407 0.000 0.922 725 R HN 0.364 nan 8.270 nan 0.000 0.457 726 I N 1.244 121.707 120.570 -0.178 0.000 2.248 726 I HA -0.216 3.943 4.170 -0.018 0.000 0.248 726 I C 2.556 178.601 176.117 -0.120 0.000 1.107 726 I CA 1.330 62.544 61.300 -0.144 0.000 1.373 726 I CB -0.895 37.036 38.000 -0.115 0.000 1.055 726 I HN 0.217 nan 8.210 nan 0.000 0.418 727 I N 1.634 122.143 120.570 -0.101 0.000 2.361 727 I HA -0.200 3.959 4.170 -0.018 0.000 0.251 727 I C 2.349 178.435 176.117 -0.053 0.000 1.133 727 I CA 2.314 63.541 61.300 -0.121 0.000 1.413 727 I CB -1.798 36.104 38.000 -0.163 0.000 1.073 727 I HN 0.662 nan 8.210 nan 0.000 0.424 728 N N 1.243 119.950 118.700 0.012 0.000 2.069 728 N HA -0.140 4.589 4.740 -0.018 0.000 0.191 728 N C 1.855 177.393 175.510 0.047 0.000 1.031 728 N CA 1.919 55.027 53.050 0.096 0.000 0.852 728 N CB -0.930 37.574 38.487 0.028 0.000 1.018 728 N HN 0.511 nan 8.380 nan 0.000 0.423 729 V N 0.490 120.377 119.914 -0.045 0.000 2.720 729 V HA -0.080 4.029 4.120 -0.018 0.000 0.256 729 V C 0.998 177.056 176.094 -0.060 0.000 1.082 729 V CA 0.998 63.250 62.300 -0.080 0.000 1.101 729 V CB -0.103 31.591 31.823 -0.214 0.000 0.693 729 V HN 0.046 nan 8.190 nan 0.000 0.479 730 V N -0.084 119.795 119.914 -0.058 0.000 2.939 730 V HA 0.372 4.481 4.120 -0.018 0.000 0.320 730 V C 1.306 177.345 176.094 -0.091 0.000 1.101 730 V CA 0.329 62.595 62.300 -0.058 0.000 1.345 730 V CB 0.483 32.256 31.823 -0.083 0.000 1.079 730 V HN 0.295 nan 8.190 nan 0.000 0.549 731 G N 2.850 111.618 108.800 -0.055 0.000 2.418 731 G HA2 -0.081 3.868 3.960 -0.018 0.000 0.217 731 G HA3 -0.081 3.868 3.960 -0.018 0.000 0.217 731 G C 0.226 174.877 174.900 -0.416 0.000 1.158 731 G CA 1.336 46.185 45.100 -0.418 0.000 0.771 731 G HN 0.588 nan 8.290 nan 0.000 0.545 732 P HA 0.070 nan 4.420 nan 0.000 0.225 732 P C 0.726 177.980 177.300 -0.078 0.000 1.148 732 P CA 2.046 65.107 63.100 -0.065 0.000 0.779 732 P CB -0.079 31.632 31.700 0.018 0.000 0.780 733 D N -1.758 118.587 120.400 -0.091 0.000 2.474 733 D HA 0.185 4.814 4.640 -0.018 0.000 0.213 733 D C 1.631 177.880 176.300 -0.086 0.000 1.120 733 D CA -0.054 53.904 54.000 -0.070 0.000 0.836 733 D CB -0.273 40.497 40.800 -0.050 0.000 1.019 733 D HN -0.155 nan 8.370 nan 0.000 0.507 734 M N 0.478 120.001 119.600 -0.129 0.000 2.556 734 M HA 0.371 4.840 4.480 -0.018 0.000 0.245 734 M C 1.850 178.079 176.300 -0.119 0.000 1.128 734 M CA 0.130 55.356 55.300 -0.122 0.000 1.069 734 M CB -0.325 32.187 32.600 -0.147 0.000 1.469 734 M HN 0.294 nan 8.290 nan 0.000 0.494 735 L N 0.898 122.036 121.223 -0.141 0.000 2.005 735 L HA -0.131 4.198 4.340 -0.018 0.000 0.207 735 L C -0.367 176.476 176.870 -0.046 0.000 1.072 735 L CA 1.389 56.165 54.840 -0.108 0.000 0.744 735 L CB -2.170 39.821 42.059 -0.114 0.000 0.895 735 L HN 0.154 nan 8.230 nan 0.000 0.433 736 P HA -0.182 nan 4.420 nan 0.000 0.223 736 P C 1.013 178.305 177.300 -0.014 0.000 1.144 736 P CA 1.407 64.496 63.100 -0.018 0.000 0.783 736 P CB -0.073 31.616 31.700 -0.018 0.000 0.771 737 K N -0.377 120.010 120.400 -0.021 0.000 2.418 737 K HA 0.056 4.365 4.320 -0.018 0.000 0.195 737 K C 2.176 178.773 176.600 -0.004 0.000 1.035 737 K CA 0.623 56.900 56.287 -0.016 0.000 1.003 737 K CB -0.451 32.034 32.500 -0.025 0.000 0.793 737 K HN 0.061 nan 8.250 nan 0.000 0.494 738 V N 2.381 122.302 119.914 0.011 0.000 2.343 738 V HA -0.151 3.958 4.120 -0.018 0.000 0.247 738 V C -0.339 175.769 176.094 0.024 0.000 1.051 738 V CA 1.547 63.873 62.300 0.044 0.000 1.036 738 V CB -1.432 30.448 31.823 0.096 0.000 0.654 738 V HN 0.131 nan 8.190 nan 0.000 0.451 739 P HA -0.068 nan 4.420 nan 0.000 0.223 739 P C 1.764 179.058 177.300 -0.010 0.000 1.151 739 P CA 1.954 65.059 63.100 0.007 0.000 0.787 739 P CB 0.064 31.771 31.700 0.012 0.000 0.788 740 Q N 0.701 120.494 119.800 -0.010 0.000 2.061 740 Q HA -0.120 4.209 4.340 -0.018 0.000 0.204 740 Q C 2.604 178.586 176.000 -0.030 0.000 0.984 740 Q CA 2.757 58.550 55.803 -0.017 0.000 0.846 740 Q CB -2.062 26.667 28.738 -0.015 0.000 0.902 740 Q HN 0.320 nan 8.270 nan 0.000 0.421 741 L N -0.080 121.118 121.223 -0.041 0.000 2.240 741 L HA 0.363 4.692 4.340 -0.018 0.000 0.211 741 L C 3.079 179.890 176.870 -0.098 0.000 1.106 741 L CA 2.128 56.924 54.840 -0.073 0.000 0.793 741 L CB -1.817 40.184 42.059 -0.098 0.000 0.927 741 L HN 0.922 nan 8.230 nan 0.000 0.446 742 I N -0.679 119.841 120.570 -0.082 0.000 2.394 742 I HA 0.067 4.226 4.170 -0.018 0.000 0.251 742 I C 2.945 179.023 176.117 -0.065 0.000 1.136 742 I CA 2.523 63.771 61.300 -0.087 0.000 1.425 742 I CB -1.536 36.434 38.000 -0.050 0.000 1.079 742 I HN 0.681 nan 8.210 nan 0.000 0.425 743 S N 0.795 116.469 115.700 -0.045 0.000 2.355 743 S HA 0.002 4.461 4.470 -0.018 0.000 0.222 743 S C 2.484 177.062 174.600 -0.037 0.000 1.031 743 S CA 3.034 61.214 58.200 -0.033 0.000 0.993 743 S CB -1.126 62.062 63.200 -0.021 0.000 0.859 743 S HN 1.545 nan 8.310 nan 0.000 0.453 744 I N 1.388 121.933 120.570 -0.042 0.000 2.118 744 I HA 0.072 4.231 4.170 -0.018 0.000 0.241 744 I C 3.115 179.203 176.117 -0.049 0.000 1.070 744 I CA 2.656 63.931 61.300 -0.040 0.000 1.327 744 I CB -1.977 35.995 38.000 -0.046 0.000 1.034 744 I HN 0.759 nan 8.210 nan 0.000 0.405 745 L N -0.061 121.117 121.223 -0.076 0.000 2.187 745 L HA 0.226 4.555 4.340 -0.018 0.000 0.213 745 L C 2.890 179.723 176.870 -0.063 0.000 1.100 745 L CA 2.962 57.751 54.840 -0.086 0.000 0.765 745 L CB -2.136 39.841 42.059 -0.136 0.000 0.904 745 L HN 1.346 nan 8.230 nan 0.000 0.437 746 L N -1.076 120.116 121.223 -0.052 0.000 2.446 746 L HA 0.178 4.507 4.340 -0.018 0.000 0.219 746 L C 2.608 179.465 176.870 -0.022 0.000 1.116 746 L CA 2.126 56.943 54.840 -0.039 0.000 0.844 746 L CB -2.726 39.309 42.059 -0.040 0.000 0.970 746 L HN 0.818 nan 8.230 nan 0.000 0.457 747 N N 0.602 119.292 118.700 -0.016 0.000 2.132 747 N HA -0.031 4.698 4.740 -0.018 0.000 0.191 747 N C 1.516 177.029 175.510 0.005 0.000 1.015 747 N CA 1.513 54.561 53.050 -0.003 0.000 0.864 747 N CB -0.702 37.786 38.487 0.002 0.000 1.006 747 N HN 1.209 nan 8.380 nan 0.000 0.430 748 S N -0.190 115.511 115.700 0.001 0.000 2.423 748 S HA 0.600 5.059 4.470 -0.018 0.000 0.302 748 S C 0.402 175.001 174.600 -0.001 0.000 1.143 748 S CA 0.136 58.341 58.200 0.009 0.000 1.080 748 S CB -1.216 61.983 63.200 -0.000 0.000 1.081 748 S HN 1.321 nan 8.310 nan 0.000 0.522 749 I N 1.285 121.859 120.570 0.006 0.000 2.436 749 I HA 0.654 4.813 4.170 -0.018 0.000 0.289 749 I C 0.250 176.367 176.117 0.001 0.000 1.083 749 I CA 0.075 61.375 61.300 0.001 0.000 1.372 749 I CB -0.292 37.711 38.000 0.005 0.000 1.408 749 I HN 0.926 nan 8.210 nan 0.000 0.516 750 D N 2.749 123.144 120.400 -0.008 0.000 2.736 750 D HA 0.832 5.461 4.640 -0.018 0.000 0.223 750 D C 0.058 176.350 176.300 -0.015 0.000 1.231 750 D CA 0.230 54.225 54.000 -0.008 0.000 0.818 750 D CB 1.585 42.378 40.800 -0.011 0.000 1.587 750 D HN 2.039 nan 8.370 nan 0.000 0.463 751 M N 0.469 120.062 119.600 -0.012 0.000 2.419 751 M HA 0.307 4.776 4.480 -0.018 0.000 0.252 751 M C 0.737 177.028 176.300 -0.016 0.000 1.143 751 M CA 0.256 55.546 55.300 -0.016 0.000 0.985 751 M CB -0.800 31.794 32.600 -0.011 0.000 1.489 751 M HN 0.491 nan 8.290 nan 0.000 0.484 752 N N -0.643 118.048 118.700 -0.015 0.000 2.317 752 N HA 0.055 4.784 4.740 -0.018 0.000 0.199 752 N C 1.441 176.943 175.510 -0.015 0.000 1.145 752 N CA 0.916 53.958 53.050 -0.013 0.000 0.882 752 N CB 0.723 39.203 38.487 -0.011 0.000 1.113 752 N HN 0.845 nan 8.380 nan 0.000 0.486 753 E N 0.999 121.187 120.200 -0.021 0.000 2.389 753 E HA 0.119 4.458 4.350 -0.018 0.000 0.199 753 E C 2.117 178.699 176.600 -0.029 0.000 0.978 753 E CA 0.072 56.458 56.400 -0.024 0.000 0.912 753 E CB 0.187 29.867 29.700 -0.032 0.000 0.907 753 E HN 0.099 nan 8.360 nan 0.000 0.494 754 L N 0.745 121.945 121.223 -0.038 0.000 2.083 754 L HA -0.100 4.229 4.340 -0.018 0.000 0.209 754 L C 2.621 179.464 176.870 -0.046 0.000 1.083 754 L CA 1.913 56.719 54.840 -0.055 0.000 0.752 754 L CB -1.482 40.535 42.059 -0.070 0.000 0.899 754 L HN 0.129 nan 8.230 nan 0.000 0.433 755 V N -0.109 119.788 119.914 -0.028 0.000 2.343 755 V HA -0.294 3.815 4.120 -0.018 0.000 0.247 755 V C 2.448 178.556 176.094 0.025 0.000 1.051 755 V CA 2.020 64.316 62.300 -0.007 0.000 1.036 755 V CB -0.929 30.894 31.823 0.000 0.000 0.654 755 V HN 0.721 nan 8.190 nan 0.000 0.451 756 D N 0.031 120.447 120.400 0.028 0.000 2.218 756 D HA -0.099 4.530 4.640 -0.018 0.000 0.204 756 D C 2.084 178.442 176.300 0.097 0.000 0.976 756 D CA 1.038 55.076 54.000 0.064 0.000 0.853 756 D CB -0.003 40.826 40.800 0.048 0.000 0.939 756 D HN 0.377 nan 8.370 nan 0.000 0.481 757 V N 0.988 120.928 119.914 0.042 0.000 2.591 757 V HA -0.140 3.969 4.120 -0.018 0.000 0.249 757 V C 2.584 178.743 176.094 0.108 0.000 1.053 757 V CA 0.767 63.092 62.300 0.042 0.000 1.068 757 V CB -0.242 31.552 31.823 -0.049 0.000 0.689 757 V HN 0.197 nan 8.190 nan 0.000 0.462 758 L N 0.156 121.409 121.223 0.050 0.000 2.005 758 L HA -0.137 4.192 4.340 -0.018 0.000 0.207 758 L C 2.727 179.730 176.870 0.222 0.000 1.072 758 L CA 1.992 56.872 54.840 0.067 0.000 0.744 758 L CB -0.861 41.207 42.059 0.015 0.000 0.895 758 L HN 0.445 nan 8.230 nan 0.000 0.433 759 S N -0.057 115.749 115.700 0.177 0.000 2.419 759 S HA -0.241 4.218 4.470 -0.018 0.000 0.233 759 S C 1.983 176.697 174.600 0.191 0.000 1.016 759 S CA 1.107 59.408 58.200 0.169 0.000 0.974 759 S CB -0.419 62.860 63.200 0.132 0.000 0.786 759 S HN 0.408 nan 8.310 nan 0.000 0.492 760 F N 1.197 121.200 119.950 0.088 0.000 2.234 760 F HA 0.052 4.568 4.527 -0.019 0.000 0.299 760 F C 2.290 178.152 175.800 0.103 0.000 1.087 760 F CA 1.385 59.434 58.000 0.083 0.000 1.340 760 F CB -0.337 38.697 39.000 0.057 0.000 1.031 760 F HN 0.260 nan 8.300 nan 0.000 0.500 761 I N -1.372 119.359 120.570 0.267 0.000 2.480 761 I HA -0.070 4.089 4.170 -0.018 0.000 0.251 761 I C 2.530 178.718 176.117 0.118 0.000 1.124 761 I CA 1.497 62.923 61.300 0.210 0.000 1.444 761 I CB -0.506 37.737 38.000 0.404 0.000 1.098 761 I HN 0.448 nan 8.210 nan 0.000 0.428 762 S N 0.333 116.131 115.700 0.162 0.000 2.351 762 S HA -0.296 4.163 4.470 -0.018 0.000 0.220 762 S C 2.397 177.032 174.600 0.058 0.000 1.035 762 S CA 2.705 60.948 58.200 0.072 0.000 1.031 762 S CB -0.804 62.468 63.200 0.119 0.000 0.928 762 S HN 0.919 nan 8.310 nan 0.000 0.433 763 Q N 0.734 120.567 119.800 0.055 0.000 2.234 763 Q HA 0.058 4.387 4.340 -0.018 0.000 0.206 763 Q C 2.243 178.252 176.000 0.015 0.000 0.980 763 Q CA 1.695 57.527 55.803 0.047 0.000 0.869 763 Q CB -1.005 27.723 28.738 -0.017 0.000 0.912 763 Q HN 0.743 nan 8.270 nan 0.000 0.436 764 L N -0.474 120.710 121.223 -0.066 0.000 2.072 764 L HA -0.071 4.258 4.340 -0.018 0.000 0.205 764 L C 3.010 179.923 176.870 0.072 0.000 1.079 764 L CA 1.327 56.142 54.840 -0.042 0.000 0.752 764 L CB -0.416 41.531 42.059 -0.187 0.000 0.906 764 L HN 0.567 nan 8.230 nan 0.000 0.436 765 I N -1.849 118.736 120.570 0.026 0.000 2.361 765 I HA -0.306 3.853 4.170 -0.018 0.000 0.251 765 I C 2.541 178.643 176.117 -0.025 0.000 1.133 765 I CA 1.733 63.030 61.300 -0.006 0.000 1.413 765 I CB -1.324 36.624 38.000 -0.087 0.000 1.073 765 I HN 0.357 nan 8.210 nan 0.000 0.424 766 H N 0.726 119.764 119.070 -0.053 0.000 2.253 766 H HA -0.169 4.376 4.556 -0.018 0.000 0.299 766 H C 2.629 177.885 175.328 -0.120 0.000 1.064 766 H CA 3.051 59.053 56.048 -0.076 0.000 1.264 766 H CB -0.474 29.245 29.762 -0.072 0.000 1.371 766 H HN 0.520 nan 8.280 nan 0.000 0.493 767 I N -0.036 120.541 120.570 0.011 0.000 2.264 767 I HA -0.226 3.933 4.170 -0.018 0.000 0.248 767 I C 0.781 176.560 176.117 -0.563 0.000 1.111 767 I CA 1.736 62.856 61.300 -0.300 0.000 1.382 767 I CB -1.224 36.581 38.000 -0.326 0.000 1.060 767 I HN 0.216 nan 8.210 nan 0.000 0.418 768 Y N 0.570 120.859 120.300 -0.018 0.000 2.658 768 Y HA 0.560 5.099 4.550 -0.018 0.000 0.362 768 Y C 1.533 177.415 175.900 -0.030 0.000 1.017 768 Y CA -0.289 57.797 58.100 -0.024 0.000 1.134 768 Y CB 0.068 38.509 38.460 -0.031 0.000 1.144 768 Y HN 0.287 nan 8.280 nan 0.000 0.655 769 K N -0.120 120.297 120.400 0.028 0.000 2.057 769 K HA -0.172 4.137 4.320 -0.018 0.000 0.207 769 K C 1.538 178.144 176.600 0.009 0.000 1.049 769 K CA 2.200 58.482 56.287 -0.008 0.000 0.931 769 K CB -1.302 31.169 32.500 -0.048 0.000 0.714 769 K HN 0.702 nan 8.250 nan 0.000 0.440 770 D N 1.175 121.591 120.400 0.026 0.000 2.123 770 D HA -0.147 4.482 4.640 -0.018 0.000 0.200 770 D C 1.979 178.298 176.300 0.033 0.000 0.976 770 D CA 1.214 55.228 54.000 0.024 0.000 0.831 770 D CB -0.400 40.413 40.800 0.022 0.000 0.974 770 D HN 0.600 nan 8.370 nan 0.000 0.469 771 N N -0.315 118.415 118.700 0.050 0.000 2.290 771 N HA -0.054 4.675 4.740 -0.018 0.000 0.179 771 N C 2.569 178.099 175.510 0.034 0.000 1.016 771 N CA 1.761 54.834 53.050 0.038 0.000 0.871 771 N CB -0.382 38.126 38.487 0.035 0.000 0.987 771 N HN 0.545 nan 8.380 nan 0.000 0.431 772 M N 1.187 120.814 119.600 0.044 0.000 2.192 772 M HA -0.108 4.360 4.480 -0.018 0.000 0.256 772 M C 2.264 178.590 176.300 0.042 0.000 1.076 772 M CA 1.621 56.946 55.300 0.043 0.000 1.075 772 M CB -1.504 31.128 32.600 0.053 0.000 1.368 772 M HN 0.104 nan 8.290 nan 0.000 0.406 773 M N 0.446 120.066 119.600 0.034 0.000 2.267 773 M HA -0.121 4.348 4.480 -0.018 0.000 0.263 773 M C 2.234 178.561 176.300 0.046 0.000 1.063 773 M CA 2.248 57.571 55.300 0.038 0.000 1.090 773 M CB -1.996 30.623 32.600 0.030 0.000 1.392 773 M HN 0.794 nan 8.290 nan 0.000 0.422 774 E N 0.994 121.218 120.200 0.040 0.000 2.046 774 E HA -0.073 4.266 4.350 -0.018 0.000 0.190 774 E C 1.951 178.576 176.600 0.041 0.000 0.982 774 E CA 1.252 57.675 56.400 0.039 0.000 0.800 774 E CB -0.817 28.901 29.700 0.030 0.000 0.756 774 E HN 0.588 nan 8.360 nan 0.000 0.449 775 I N 1.095 121.690 120.570 0.041 0.000 2.286 775 I HA -0.230 3.929 4.170 -0.018 0.000 0.248 775 I C 2.784 178.936 176.117 0.058 0.000 1.115 775 I CA 1.764 63.090 61.300 0.043 0.000 1.392 775 I CB -0.409 37.617 38.000 0.044 0.000 1.065 775 I HN 0.270 nan 8.210 nan 0.000 0.418 776 T N 1.012 115.610 114.554 0.074 0.000 2.624 776 T HA -0.216 4.123 4.350 -0.018 0.000 0.268 776 T C 1.486 176.237 174.700 0.086 0.000 1.041 776 T CA 1.633 63.795 62.100 0.103 0.000 1.159 776 T CB -0.397 68.532 68.868 0.103 0.000 0.863 776 T HN 0.322 nan 8.240 nan 0.000 0.434 777 N N 0.773 119.514 118.700 0.069 0.000 2.626 777 N HA 0.036 4.765 4.740 -0.018 0.000 0.193 777 N C 1.573 177.110 175.510 0.045 0.000 1.213 777 N CA 0.442 53.528 53.050 0.059 0.000 0.914 777 N CB 0.061 38.587 38.487 0.064 0.000 0.994 777 N HN 0.506 nan 8.380 nan 0.000 0.447 778 R N -0.693 119.830 120.500 0.038 0.000 2.225 778 R HA 0.231 4.560 4.340 -0.018 0.000 0.194 778 R C 2.522 178.829 176.300 0.011 0.000 0.949 778 R CA 0.696 56.812 56.100 0.026 0.000 1.088 778 R CB -0.463 29.854 30.300 0.027 0.000 1.106 778 R HN 0.135 nan 8.270 nan 0.000 0.566 779 M N 1.454 121.066 119.600 0.020 0.000 2.086 779 M HA 0.065 4.534 4.480 -0.018 0.000 0.261 779 M C 2.867 179.141 176.300 -0.042 0.000 1.067 779 M CA 2.393 57.694 55.300 0.001 0.000 1.116 779 M CB -1.969 30.654 32.600 0.039 0.000 1.348 779 M HN 0.228 nan 8.290 nan 0.000 0.407 780 L N -0.485 120.721 121.223 -0.028 0.000 2.083 780 L HA 0.004 4.333 4.340 -0.018 0.000 0.209 780 L C 0.665 177.439 176.870 -0.161 0.000 1.083 780 L CA 2.536 57.327 54.840 -0.083 0.000 0.752 780 L CB -2.808 39.248 42.059 -0.006 0.000 0.899 780 L HN 0.556 nan 8.230 nan 0.000 0.433 781 P HA 0.008 nan 4.420 nan 0.000 0.242 781 P C 1.228 178.447 177.300 -0.135 0.000 1.197 781 P CA 1.454 64.427 63.100 -0.212 0.000 0.765 781 P CB 0.087 31.753 31.700 -0.057 0.000 0.936 782 T N -2.539 111.959 114.554 -0.093 0.000 3.038 782 T HA 0.078 4.417 4.350 -0.018 0.000 0.244 782 T C 2.115 176.768 174.700 -0.077 0.000 1.016 782 T CA 0.771 62.838 62.100 -0.055 0.000 1.098 782 T CB -1.023 67.822 68.868 -0.037 0.000 0.954 782 T HN -0.091 nan 8.240 nan 0.000 0.469 783 L N 1.520 122.671 121.223 -0.120 0.000 1.988 783 L HA 0.313 4.641 4.340 -0.018 0.000 0.207 783 L C 2.674 179.444 176.870 -0.167 0.000 1.071 783 L CA 1.712 56.455 54.840 -0.162 0.000 0.744 783 L CB -1.964 39.951 42.059 -0.239 0.000 0.893 783 L HN 0.324 nan 8.230 nan 0.000 0.433 784 L N -0.389 120.721 121.223 -0.190 0.000 2.043 784 L HA -0.332 3.997 4.340 -0.018 0.000 0.212 784 L C 3.364 180.316 176.870 0.137 0.000 1.075 784 L CA 2.355 57.112 54.840 -0.139 0.000 0.752 784 L CB -0.666 41.329 42.059 -0.107 0.000 0.891 784 L HN 0.660 nan 8.230 nan 0.000 0.432 785 M N 0.116 119.758 119.600 0.070 0.000 2.108 785 M HA -0.189 4.280 4.480 -0.018 0.000 0.261 785 M C 2.827 179.218 176.300 0.151 0.000 1.066 785 M CA 3.006 58.420 55.300 0.191 0.000 1.107 785 M CB -2.200 30.467 32.600 0.112 0.000 1.356 785 M HN 0.407 nan 8.290 nan 0.000 0.406 786 R N -0.396 120.129 120.500 0.042 0.000 2.092 786 R HA 0.106 4.435 4.340 -0.018 0.000 0.231 786 R C 2.479 178.772 176.300 -0.012 0.000 1.119 786 R CA 1.755 57.861 56.100 0.009 0.000 0.970 786 R CB -1.964 28.317 30.300 -0.032 0.000 0.864 786 R HN 0.853 nan 8.270 nan 0.000 0.440 787 I N 0.199 120.719 120.570 -0.083 0.000 2.113 787 I HA -0.133 4.026 4.170 -0.018 0.000 0.238 787 I C 2.396 178.424 176.117 -0.148 0.000 1.070 787 I CA 1.685 62.871 61.300 -0.190 0.000 1.332 787 I CB -0.921 36.848 38.000 -0.385 0.000 1.044 787 I HN 0.581 nan 8.210 nan 0.000 0.402 788 F N 1.669 121.609 119.950 -0.016 0.000 2.192 788 F HA -0.233 4.282 4.527 -0.018 0.000 0.301 788 F C 2.860 178.664 175.800 0.007 0.000 1.079 788 F CA 1.812 59.816 58.000 0.007 0.000 1.303 788 F CB -1.076 37.948 39.000 0.040 0.000 1.024 788 F HN 0.377 nan 8.300 nan 0.000 0.494 789 S N -0.444 115.362 115.700 0.176 0.000 2.357 789 S HA -0.150 4.309 4.470 -0.018 0.000 0.221 789 S C 2.373 177.004 174.600 0.053 0.000 1.031 789 S CA 1.053 59.313 58.200 0.100 0.000 0.982 789 S CB -1.300 61.947 63.200 0.078 0.000 0.853 789 S HN 0.370 nan 8.310 nan 0.000 0.458 790 S N 1.519 117.233 115.700 0.024 0.000 2.419 790 S HA 0.260 4.719 4.470 -0.018 0.000 0.235 790 S C 2.151 176.750 174.600 -0.002 0.000 1.019 790 S CA 1.716 59.916 58.200 0.000 0.000 0.982 790 S CB -1.124 62.062 63.200 -0.024 0.000 0.789 790 S HN 1.106 nan 8.310 nan 0.000 0.490 791 L N -0.826 120.397 121.223 -0.001 0.000 2.591 791 L HA 0.769 5.098 4.340 -0.018 0.000 0.228 791 L C 1.968 178.854 176.870 0.026 0.000 1.133 791 L CA 1.374 56.213 54.840 -0.001 0.000 0.880 791 L CB -1.596 40.446 42.059 -0.029 0.000 1.033 791 L HN 0.665 nan 8.230 nan 0.000 0.450 792 S N -0.872 114.854 115.700 0.042 0.000 2.484 792 S HA 0.807 5.266 4.470 -0.018 0.000 0.242 792 S C 0.503 175.121 174.600 0.031 0.000 1.158 792 S CA 0.264 58.491 58.200 0.045 0.000 1.162 792 S CB -0.220 63.018 63.200 0.065 0.000 0.850 792 S HN 1.412 nan 8.310 nan 0.000 0.477 800 D N 0.329 120.730 120.400 0.001 0.000 2.117 800 D HA 0.290 4.919 4.640 -0.018 0.000 0.198 800 D C 2.501 178.801 176.300 -0.001 0.000 0.982 800 D CA 2.667 56.666 54.000 -0.000 0.000 0.828 800 D CB -0.658 40.143 40.800 0.001 0.000 0.967 800 D HN 1.129 nan 8.370 nan 0.000 0.464 801 A N 0.353 123.173 122.820 0.000 0.000 1.884 801 A HA 0.166 4.475 4.320 -0.018 0.000 0.219 801 A C 2.823 180.406 177.584 -0.001 0.000 1.197 801 A CA 3.440 55.477 52.037 0.000 0.000 0.637 801 A CB -1.061 17.940 19.000 0.001 0.000 0.827 801 A HN 1.233 nan 8.150 nan 0.000 0.450 802 V N -0.940 118.973 119.914 -0.000 0.000 2.427 802 V HA -0.034 4.075 4.120 -0.018 0.000 0.248 802 V C 2.710 178.803 176.094 -0.002 0.000 1.051 802 V CA 3.497 65.797 62.300 -0.000 0.000 1.048 802 V CB -1.553 30.270 31.823 0.000 0.000 0.666 802 V HN 0.704 nan 8.190 nan 0.000 0.456 803 K N -0.508 119.890 120.400 -0.004 0.000 1.985 803 K HA -0.108 4.201 4.320 -0.018 0.000 0.210 803 K C 2.394 178.987 176.600 -0.011 0.000 1.047 803 K CA 2.825 59.108 56.287 -0.007 0.000 0.932 803 K CB -1.481 31.015 32.500 -0.008 0.000 0.716 803 K HN 1.004 nan 8.250 nan 0.000 0.439 804 Q N 0.057 119.851 119.800 -0.010 0.000 2.135 804 Q HA -0.244 4.085 4.340 -0.018 0.000 0.204 804 Q C 2.396 178.388 176.000 -0.013 0.000 0.981 804 Q CA 2.799 58.593 55.803 -0.014 0.000 0.856 804 Q CB -2.104 26.628 28.738 -0.009 0.000 0.902 804 Q HN 0.993 nan 8.270 nan 0.000 0.425 805 N N 0.939 119.635 118.700 -0.007 0.000 2.104 805 N HA -0.122 4.606 4.740 -0.018 0.000 0.190 805 N C 2.036 177.543 175.510 -0.005 0.000 1.024 805 N CA 2.587 55.634 53.050 -0.005 0.000 0.853 805 N CB -1.469 37.017 38.487 -0.001 0.000 1.008 805 N HN 0.935 nan 8.380 nan 0.000 0.424 806 D N -0.710 119.687 120.400 -0.005 0.000 2.219 806 D HA 0.331 4.960 4.640 -0.018 0.000 0.205 806 D C 2.329 178.622 176.300 -0.011 0.000 0.970 806 D CA 2.014 56.012 54.000 -0.004 0.000 0.851 806 D CB -0.788 40.011 40.800 -0.003 0.000 0.943 806 D HN 0.821 nan 8.370 nan 0.000 0.488 807 L N -0.497 120.713 121.223 -0.021 0.000 2.209 807 L HA 0.471 4.800 4.340 -0.018 0.000 0.207 807 L C 3.086 179.933 176.870 -0.038 0.000 1.094 807 L CA 1.904 56.721 54.840 -0.038 0.000 0.790 807 L CB -1.852 40.178 42.059 -0.049 0.000 0.932 807 L HN 0.704 nan 8.230 nan 0.000 0.447 808 R N 0.443 120.927 120.500 -0.026 0.000 2.082 808 R HA -0.129 4.200 4.340 -0.018 0.000 0.234 808 R C 2.699 178.991 176.300 -0.013 0.000 1.136 808 R CA 3.276 59.363 56.100 -0.022 0.000 0.935 808 R CB -1.593 28.700 30.300 -0.012 0.000 0.842 808 R HN 0.814 nan 8.270 nan 0.000 0.430 809 K N 0.040 120.438 120.400 -0.003 0.000 2.057 809 K HA 0.117 4.426 4.320 -0.018 0.000 0.206 809 K C 2.842 179.451 176.600 0.016 0.000 1.050 809 K CA 2.119 58.411 56.287 0.007 0.000 0.935 809 K CB -1.399 31.108 32.500 0.012 0.000 0.715 809 K HN 0.848 nan 8.250 nan 0.000 0.439 810 S N -0.310 115.397 115.700 0.011 0.000 2.382 810 S HA 0.032 4.491 4.470 -0.018 0.000 0.228 810 S C 2.402 177.019 174.600 0.029 0.000 1.027 810 S CA 2.206 60.420 58.200 0.024 0.000 0.991 810 S CB -0.959 62.242 63.200 0.002 0.000 0.823 810 S HN 1.020 nan 8.310 nan 0.000 0.469 811 Y N 0.380 120.673 120.300 -0.011 0.000 2.153 811 Y HA 0.203 4.742 4.550 -0.018 0.000 0.289 811 Y C 3.222 179.139 175.900 0.028 0.000 1.127 811 Y CA 2.026 60.110 58.100 -0.026 0.000 1.131 811 Y CB -1.400 37.006 38.460 -0.091 0.000 0.995 811 Y HN 0.570 nan 8.280 nan 0.000 0.505 812 I N 1.532 122.110 120.570 0.014 0.000 2.091 812 I HA -0.283 3.876 4.170 -0.018 0.000 0.239 812 I C 2.808 178.950 176.117 0.040 0.000 1.061 812 I CA 3.626 64.938 61.300 0.019 0.000 1.317 812 I CB -1.793 36.212 38.000 0.009 0.000 1.031 812 I HN 0.782 nan 8.210 nan 0.000 0.401 813 S N -0.483 115.247 115.700 0.051 0.000 2.383 813 S HA -0.278 4.181 4.470 -0.018 0.000 0.229 813 S C 2.241 176.874 174.600 0.055 0.000 1.030 813 S CA 1.799 60.028 58.200 0.048 0.000 1.002 813 S CB -1.234 62.000 63.200 0.057 0.000 0.829 813 S HN 0.947 nan 8.310 nan 0.000 0.467 814 F N 2.801 122.738 119.950 -0.022 0.000 2.134 814 F HA 0.005 4.521 4.527 -0.018 0.000 0.299 814 F C 2.831 178.613 175.800 -0.030 0.000 1.097 814 F CA 1.528 59.514 58.000 -0.023 0.000 1.264 814 F CB -0.622 38.360 39.000 -0.031 0.000 1.001 814 F HN 0.276 nan 8.300 nan 0.000 0.479 815 I N -0.031 120.603 120.570 0.106 0.000 2.252 815 I HA -0.070 4.089 4.170 -0.018 0.000 0.245 815 I C 2.705 178.789 176.117 -0.055 0.000 1.102 815 I CA 2.094 63.410 61.300 0.026 0.000 1.385 815 I CB -2.012 36.013 38.000 0.041 0.000 1.064 815 I HN 0.343 nan 8.210 nan 0.000 0.414 816 L N -0.557 120.640 121.223 -0.044 0.000 2.083 816 L HA -0.228 4.101 4.340 -0.018 0.000 0.209 816 L C 2.435 179.245 176.870 -0.100 0.000 1.083 816 L CA 3.042 57.850 54.840 -0.052 0.000 0.752 816 L CB -1.794 40.247 42.059 -0.030 0.000 0.899 816 L HN 0.754 nan 8.230 nan 0.000 0.433 817 Q N -0.512 119.189 119.800 -0.165 0.000 2.079 817 Q HA -0.129 4.199 4.340 -0.018 0.000 0.200 817 Q C 2.423 178.271 176.000 -0.254 0.000 0.974 817 Q CA 2.256 57.921 55.803 -0.231 0.000 0.840 817 Q CB -0.292 28.260 28.738 -0.310 0.000 0.898 817 Q HN 0.707 nan 8.270 nan 0.000 0.430 818 L N 0.227 121.264 121.223 -0.311 0.000 2.046 818 L HA -0.097 4.231 4.340 -0.018 0.000 0.208 818 L C 2.957 179.762 176.870 -0.108 0.000 1.077 818 L CA 2.332 57.032 54.840 -0.232 0.000 0.747 818 L CB -2.448 39.485 42.059 -0.209 0.000 0.896 818 L HN 0.477 nan 8.230 nan 0.000 0.432 819 L N -0.789 120.387 121.223 -0.079 0.000 2.017 819 L HA -0.213 4.116 4.340 -0.018 0.000 0.208 819 L C 2.503 179.353 176.870 -0.032 0.000 1.073 819 L CA 2.717 57.541 54.840 -0.026 0.000 0.745 819 L CB -1.744 40.307 42.059 -0.013 0.000 0.894 819 L HN 0.729 nan 8.230 nan 0.000 0.432 820 N N 0.182 118.846 118.700 -0.061 0.000 2.300 820 N HA -0.079 4.649 4.740 -0.018 0.000 0.179 820 N C 2.053 177.518 175.510 -0.074 0.000 1.016 820 N CA 1.634 54.648 53.050 -0.061 0.000 0.876 820 N CB -0.205 38.239 38.487 -0.072 0.000 0.979 820 N HN 0.707 nan 8.380 nan 0.000 0.432 821 K N 1.617 121.954 120.400 -0.104 0.000 2.504 821 K HA 0.230 4.539 4.320 -0.018 0.000 0.195 821 K C 1.064 177.629 176.600 -0.059 0.000 1.036 821 K CA 0.783 57.008 56.287 -0.104 0.000 0.984 821 K CB -0.963 31.450 32.500 -0.145 0.000 0.788 821 K HN 0.463 nan 8.250 nan 0.000 0.488 829 T N 0.305 114.981 114.554 0.203 0.000 2.680 829 T HA 0.395 4.734 4.350 -0.018 0.000 0.314 829 T C 1.593 176.362 174.700 0.116 0.000 1.045 829 T CA 0.815 62.997 62.100 0.138 0.000 1.025 829 T CB 0.150 69.083 68.868 0.109 0.000 1.000 829 T HN 0.333 nan 8.240 nan 0.000 0.535 830 E N 0.177 120.431 120.200 0.090 0.000 2.086 830 E HA -0.116 4.223 4.350 -0.018 0.000 0.205 830 E C 2.303 178.962 176.600 0.097 0.000 1.027 830 E CA 2.917 59.363 56.400 0.078 0.000 0.830 830 E CB -1.822 27.913 29.700 0.059 0.000 0.751 830 E HN 1.020 nan 8.360 nan 0.000 0.456 831 E N -0.259 120.009 120.200 0.115 0.000 2.208 831 E HA -0.048 4.291 4.350 -0.018 0.000 0.193 831 E C 1.986 178.741 176.600 0.259 0.000 0.988 831 E CA 1.633 58.135 56.400 0.169 0.000 0.828 831 E CB -1.389 28.389 29.700 0.131 0.000 0.763 831 E HN 0.926 nan 8.360 nan 0.000 0.478 832 N N -0.595 118.217 118.700 0.186 0.000 2.373 832 N HA 0.170 4.899 4.740 -0.018 0.000 0.181 832 N C 2.197 177.824 175.510 0.195 0.000 1.082 832 N CA 1.255 54.426 53.050 0.201 0.000 0.885 832 N CB -0.472 38.064 38.487 0.083 0.000 0.977 832 N HN 0.704 nan 8.380 nan 0.000 0.462 833 Q N -0.308 119.578 119.800 0.144 0.000 2.369 833 Q HA 0.456 4.785 4.340 -0.018 0.000 0.206 833 Q C 2.471 178.508 176.000 0.061 0.000 0.963 833 Q CA 1.298 57.160 55.803 0.098 0.000 0.894 833 Q CB -1.233 27.550 28.738 0.075 0.000 0.965 833 Q HN 1.045 nan 8.270 nan 0.000 0.475 834 V N -1.738 118.195 119.914 0.032 0.000 3.129 834 V HA 0.073 4.182 4.120 -0.018 0.000 0.259 834 V C 1.862 177.708 176.094 -0.413 0.000 1.116 834 V CA 1.331 63.495 62.300 -0.228 0.000 1.127 834 V CB -0.320 31.266 31.823 -0.394 0.000 0.742 834 V HN 0.658 nan 8.190 nan 0.000 0.474 835 Y N -2.676 117.635 120.300 0.018 0.000 2.500 835 Y HA 0.257 4.796 4.550 -0.018 0.000 0.246 835 Y C 1.677 177.610 175.900 0.054 0.000 1.146 835 Y CA -0.824 57.268 58.100 -0.013 0.000 1.230 835 Y CB 0.006 38.477 38.460 0.018 0.000 1.214 835 Y HN 0.321 nan 8.280 nan 0.000 0.526 836 F N 1.897 121.890 119.950 0.072 0.000 2.063 836 F HA -0.315 4.201 4.527 -0.018 0.000 0.298 836 F C 1.659 177.485 175.800 0.044 0.000 1.109 836 F CA 2.157 60.173 58.000 0.027 0.000 1.212 836 F CB -0.014 38.975 39.000 -0.017 0.000 0.973 836 F HN 0.011 nan 8.300 nan 0.000 0.480 837 D N 0.863 121.350 120.400 0.144 0.000 2.077 837 D HA -0.122 4.507 4.640 -0.018 0.000 0.196 837 D C -0.242 176.031 176.300 -0.044 0.000 0.986 837 D CA 1.626 55.633 54.000 0.012 0.000 0.829 837 D CB -2.238 38.626 40.800 0.106 0.000 0.983 837 D HN 0.227 nan 8.370 nan 0.000 0.453 838 P HA -0.126 nan 4.420 nan 0.000 0.217 838 P C 1.813 179.238 177.300 0.207 0.000 1.151 838 P CA 0.955 64.067 63.100 0.019 0.000 0.849 838 P CB -0.077 31.471 31.700 -0.253 0.000 0.787 839 L N -1.736 119.592 121.223 0.175 0.000 2.095 839 L HA -0.109 4.220 4.340 -0.018 0.000 0.204 839 L C 2.721 179.551 176.870 -0.067 0.000 1.080 839 L CA 0.973 55.887 54.840 0.124 0.000 0.759 839 L CB -0.991 41.104 42.059 0.060 0.000 0.914 839 L HN -0.039 nan 8.230 nan 0.000 0.439 840 I N 0.377 120.796 120.570 -0.252 0.000 2.133 840 I HA -0.222 3.937 4.170 -0.018 0.000 0.238 840 I C 2.407 178.443 176.117 -0.134 0.000 1.074 840 I CA 1.740 62.842 61.300 -0.330 0.000 1.342 840 I CB -0.915 36.668 38.000 -0.695 0.000 1.053 840 I HN 0.425 nan 8.210 nan 0.000 0.404 841 N N 1.484 120.133 118.700 -0.084 0.000 2.084 841 N HA -0.181 4.548 4.740 -0.018 0.000 0.190 841 N C 2.103 177.619 175.510 0.009 0.000 1.030 841 N CA 2.048 55.087 53.050 -0.019 0.000 0.849 841 N CB -0.866 37.623 38.487 0.003 0.000 1.012 841 N HN 0.750 nan 8.380 nan 0.000 0.423 842 S N 1.491 117.218 115.700 0.045 0.000 2.380 842 S HA -0.230 4.228 4.470 -0.018 0.000 0.229 842 S C 2.637 177.248 174.600 0.018 0.000 1.043 842 S CA 1.985 60.222 58.200 0.063 0.000 1.038 842 S CB -1.439 61.833 63.200 0.120 0.000 0.872 842 S HN 0.374 nan 8.310 nan 0.000 0.456 843 I N 2.196 122.764 120.570 -0.004 0.000 2.226 843 I HA 0.246 4.405 4.170 -0.018 0.000 0.245 843 I C 3.392 179.505 176.117 -0.007 0.000 1.100 843 I CA 2.194 63.485 61.300 -0.014 0.000 1.374 843 I CB -2.133 35.848 38.000 -0.030 0.000 1.057 843 I HN 0.666 nan 8.210 nan 0.000 0.413 844 L N 0.379 121.598 121.223 -0.006 0.000 2.083 844 L HA -0.092 4.237 4.340 -0.018 0.000 0.209 844 L C 2.836 179.710 176.870 0.006 0.000 1.083 844 L CA 3.610 58.450 54.840 0.001 0.000 0.752 844 L CB -2.873 39.188 42.059 0.002 0.000 0.899 844 L HN 0.997 nan 8.230 nan 0.000 0.433 845 H N -2.026 117.050 119.070 0.010 0.000 2.357 845 H HA 0.068 4.613 4.556 -0.018 0.000 0.301 845 H C 1.908 177.241 175.328 0.010 0.000 1.082 845 H CA 1.382 57.438 56.048 0.014 0.000 1.342 845 H CB -1.008 28.767 29.762 0.022 0.000 1.389 845 H HN 0.905 nan 8.280 nan 0.000 0.511 855 T N -0.491 114.065 114.554 0.004 0.000 2.977 855 T HA 0.073 4.412 4.350 -0.018 0.000 0.271 855 T C 1.816 176.517 174.700 0.003 0.000 1.105 855 T CA 2.609 64.711 62.100 0.003 0.000 1.116 855 T CB -0.434 68.435 68.868 0.001 0.000 0.878 855 T HN 0.568 nan 8.240 nan 0.000 0.509 856 Q N 0.488 120.291 119.800 0.004 0.000 1.965 856 Q HA -0.072 4.257 4.340 -0.018 0.000 0.200 856 Q C 3.027 179.030 176.000 0.005 0.000 0.981 856 Q CA 2.767 58.573 55.803 0.004 0.000 0.834 856 Q CB -0.976 27.765 28.738 0.005 0.000 0.900 856 Q HN 0.880 nan 8.270 nan 0.000 0.426 857 K N 0.681 121.085 120.400 0.005 0.000 2.074 857 K HA -0.204 4.105 4.320 -0.018 0.000 0.209 857 K C 2.305 178.909 176.600 0.005 0.000 1.048 857 K CA 2.549 58.840 56.287 0.006 0.000 0.926 857 K CB -1.518 30.986 32.500 0.006 0.000 0.713 857 K HN 0.793 nan 8.250 nan 0.000 0.444 858 S N 0.614 116.317 115.700 0.005 0.000 2.362 858 S HA -0.174 4.285 4.470 -0.018 0.000 0.221 858 S C 2.496 177.099 174.600 0.004 0.000 1.032 858 S CA 1.663 59.866 58.200 0.005 0.000 0.973 858 S CB -0.531 62.673 63.200 0.007 0.000 0.849 858 S HN 0.879 nan 8.310 nan 0.000 0.465 859 S N 4.348 120.050 115.700 0.003 0.000 2.359 859 S HA -0.152 4.307 4.470 -0.018 0.000 0.224 859 S C 2.180 176.780 174.600 0.001 0.000 1.035 859 S CA 1.360 59.560 58.200 0.000 0.000 1.018 859 S CB -1.441 61.759 63.200 -0.001 0.000 0.876 859 S HN 0.832 nan 8.310 nan 0.000 0.448 860 I N 0.267 120.839 120.570 0.004 0.000 2.530 860 I HA -0.019 4.140 4.170 -0.018 0.000 0.257 860 I C 2.444 178.564 176.117 0.006 0.000 1.179 860 I CA 1.384 62.688 61.300 0.005 0.000 1.440 860 I CB -0.865 37.139 38.000 0.006 0.000 1.087 860 I HN 0.375 nan 8.210 nan 0.000 0.440 861 A N 2.079 124.902 122.820 0.005 0.000 1.930 861 A HA 0.094 4.403 4.320 -0.018 0.000 0.215 861 A C 2.328 179.915 177.584 0.005 0.000 1.176 861 A CA 0.777 52.817 52.037 0.005 0.000 0.632 861 A CB -0.657 18.346 19.000 0.004 0.000 0.819 861 A HN 0.478 nan 8.150 nan 0.000 0.445 862 L N -0.368 120.856 121.223 0.002 0.000 2.012 862 L HA -0.232 4.097 4.340 -0.018 0.000 0.210 862 L C 2.939 179.810 176.870 0.003 0.000 1.073 862 L CA 1.588 56.428 54.840 -0.000 0.000 0.748 862 L CB -0.759 41.297 42.059 -0.004 0.000 0.891 862 L HN 0.379 nan 8.230 nan 0.000 0.431 863 V N -1.753 118.162 119.914 0.003 0.000 2.307 863 V HA -0.274 3.835 4.120 -0.018 0.000 0.245 863 V C 2.546 178.652 176.094 0.019 0.000 1.045 863 V CA 2.702 65.006 62.300 0.007 0.000 1.024 863 V CB -0.636 31.191 31.823 0.006 0.000 0.651 863 V HN 0.298 nan 8.190 nan 0.000 0.449 864 S N 0.121 115.831 115.700 0.017 0.000 2.356 864 S HA -0.157 4.302 4.470 -0.018 0.000 0.223 864 S C 2.511 177.126 174.600 0.025 0.000 1.032 864 S CA 2.173 60.385 58.200 0.020 0.000 1.005 864 S CB -0.442 62.767 63.200 0.015 0.000 0.867 864 S HN 0.943 nan 8.310 nan 0.000 0.449 865 K N 0.871 121.283 120.400 0.021 0.000 2.097 865 K HA 0.054 4.363 4.320 -0.018 0.000 0.206 865 K C 2.334 178.959 176.600 0.042 0.000 1.049 865 K CA 1.929 58.230 56.287 0.024 0.000 0.933 865 K CB -1.651 30.857 32.500 0.013 0.000 0.717 865 K HN 0.540 nan 8.250 nan 0.000 0.442 866 M N 0.328 119.957 119.600 0.047 0.000 2.200 866 M HA 0.116 4.585 4.480 -0.018 0.000 0.265 866 M C 2.637 178.998 176.300 0.101 0.000 1.066 866 M CA 2.013 57.361 55.300 0.080 0.000 1.127 866 M CB -1.056 31.580 32.600 0.061 0.000 1.379 866 M HN 0.227 nan 8.290 nan 0.000 0.420 867 V N 1.452 121.410 119.914 0.074 0.000 2.343 867 V HA -0.265 3.844 4.120 -0.018 0.000 0.247 867 V C 2.959 179.092 176.094 0.064 0.000 1.051 867 V CA 2.448 64.792 62.300 0.074 0.000 1.036 867 V CB -0.900 30.955 31.823 0.053 0.000 0.654 867 V HN 0.928 nan 8.190 nan 0.000 0.451 868 S N -0.144 115.586 115.700 0.051 0.000 2.442 868 S HA 0.034 4.493 4.470 -0.018 0.000 0.236 868 S C 0.819 175.447 174.600 0.047 0.000 1.007 868 S CA 1.311 59.535 58.200 0.040 0.000 0.965 868 S CB -0.970 62.248 63.200 0.030 0.000 0.773 868 S HN 0.610 nan 8.310 nan 0.000 0.504 879 F N 1.115 121.111 119.950 0.078 0.000 2.063 879 F HA 0.172 4.688 4.527 -0.018 0.000 0.298 879 F C 2.591 178.468 175.800 0.128 0.000 1.109 879 F CA 3.485 61.579 58.000 0.158 0.000 1.212 879 F CB -1.243 37.807 39.000 0.083 0.000 0.973 879 F HN 0.485 nan 8.300 nan 0.000 0.480 880 E N 0.339 120.584 120.200 0.076 0.000 2.028 880 E HA -0.202 4.137 4.350 -0.018 0.000 0.191 880 E C 2.019 178.660 176.600 0.067 0.000 0.988 880 E CA 2.116 58.552 56.400 0.060 0.000 0.799 880 E CB -2.153 27.569 29.700 0.037 0.000 0.755 880 E HN 1.062 nan 8.360 nan 0.000 0.447 881 N N -0.500 118.243 118.700 0.072 0.000 2.205 881 N HA -0.117 4.612 4.740 -0.018 0.000 0.186 881 N C 2.077 177.635 175.510 0.081 0.000 1.015 881 N CA 1.676 54.767 53.050 0.069 0.000 0.862 881 N CB -1.069 37.459 38.487 0.069 0.000 0.986 881 N HN 0.453 nan 8.380 nan 0.000 0.429 882 F N 0.526 120.546 119.950 0.116 0.000 2.234 882 F HA 0.075 4.591 4.527 -0.018 0.000 0.299 882 F C 3.357 179.203 175.800 0.076 0.000 1.087 882 F CA 0.960 59.024 58.000 0.107 0.000 1.340 882 F CB -1.326 37.768 39.000 0.157 0.000 1.031 882 F HN 0.807 nan 8.300 nan 0.000 0.500 883 T N 0.158 114.759 114.554 0.078 0.000 2.701 883 T HA 0.002 4.341 4.350 -0.018 0.000 0.263 883 T C 2.242 176.968 174.700 0.044 0.000 1.040 883 T CA 2.188 64.323 62.100 0.058 0.000 1.147 883 T CB -0.922 67.980 68.868 0.057 0.000 0.865 883 T HN 0.354 nan 8.240 nan 0.000 0.426 884 L N 1.215 122.464 121.223 0.043 0.000 2.187 884 L HA 0.346 4.675 4.340 -0.018 0.000 0.213 884 L C 3.123 180.012 176.870 0.031 0.000 1.100 884 L CA 2.877 57.737 54.840 0.033 0.000 0.765 884 L CB -2.028 40.050 42.059 0.032 0.000 0.904 884 L HN 0.782 nan 8.230 nan 0.000 0.437 885 S N -0.481 115.241 115.700 0.036 0.000 2.423 885 S HA 0.176 4.634 4.470 -0.018 0.000 0.231 885 S C 2.332 176.947 174.600 0.025 0.000 1.014 885 S CA 2.416 60.635 58.200 0.031 0.000 0.965 885 S CB -0.841 62.381 63.200 0.036 0.000 0.785 885 S HN 1.419 nan 8.310 nan 0.000 0.495 886 L N 0.668 121.906 121.223 0.026 0.000 2.093 886 L HA 0.230 4.559 4.340 -0.018 0.000 0.208 886 L C 3.061 179.941 176.870 0.018 0.000 1.085 886 L CA 2.678 57.530 54.840 0.021 0.000 0.755 886 L CB -2.449 39.623 42.059 0.022 0.000 0.904 886 L HN 0.622 nan 8.230 nan 0.000 0.435 887 T N 0.197 114.762 114.554 0.019 0.000 2.653 887 T HA -0.218 4.121 4.350 -0.018 0.000 0.268 887 T C 0.692 175.400 174.700 0.014 0.000 1.035 887 T CA 2.169 64.279 62.100 0.016 0.000 1.154 887 T CB -1.742 67.136 68.868 0.016 0.000 0.862 887 T HN 0.606 nan 8.240 nan 0.000 0.441 888 P HA 0.055 nan 4.420 nan 0.000 0.217 888 P C 1.897 179.204 177.300 0.011 0.000 1.150 888 P CA 1.709 64.817 63.100 0.012 0.000 0.832 888 P CB -0.532 31.176 31.700 0.013 0.000 0.787 889 L N 0.335 121.565 121.223 0.012 0.000 2.021 889 L HA -0.242 4.087 4.340 -0.018 0.000 0.215 889 L C 2.985 179.861 176.870 0.010 0.000 1.074 889 L CA 3.277 58.124 54.840 0.011 0.000 0.760 889 L CB -2.496 39.569 42.059 0.011 0.000 0.889 889 L HN 0.331 nan 8.230 nan 0.000 0.433 890 C N -1.190 118.116 119.300 0.010 0.000 2.411 890 C HA 0.142 4.591 4.460 -0.018 0.000 0.279 890 C C 3.026 178.021 174.990 0.008 0.000 1.288 890 C CA 2.887 61.910 59.018 0.009 0.000 1.764 890 C CB -1.713 26.033 27.740 0.010 0.000 1.974 890 C HN 1.056 nan 8.230 nan 0.000 0.498 891 F N 0.153 120.108 119.950 0.009 0.000 2.098 891 F HA 0.277 4.793 4.527 -0.018 0.000 0.294 891 F C 2.568 178.373 175.800 0.007 0.000 1.107 891 F CA 2.633 60.638 58.000 0.008 0.000 1.234 891 F CB -1.379 37.626 39.000 0.008 0.000 1.002 891 F HN 0.532 nan 8.300 nan 0.000 0.472 892 E N 0.459 120.664 120.200 0.008 0.000 2.401 892 E HA 0.185 4.524 4.350 -0.018 0.000 0.199 892 E C 1.500 178.104 176.600 0.007 0.000 1.023 892 E CA 1.447 57.852 56.400 0.008 0.000 0.859 892 E CB -1.891 27.814 29.700 0.008 0.000 0.780 892 E HN 1.231 nan 8.360 nan 0.000 0.523 908 V N -0.499 119.418 119.914 0.005 0.000 2.613 908 V HA -0.076 4.033 4.120 -0.018 0.000 0.259 908 V C 2.191 178.288 176.094 0.005 0.000 1.099 908 V CA 3.602 65.905 62.300 0.005 0.000 1.115 908 V CB -0.486 31.340 31.823 0.005 0.000 0.686 908 V HN 0.931 nan 8.190 nan 0.000 0.481 909 V N -2.042 117.875 119.914 0.005 0.000 3.408 909 V HA 0.163 4.272 4.120 -0.018 0.000 0.263 909 V C 2.404 178.501 176.094 0.006 0.000 1.503 909 V CA 0.987 63.290 62.300 0.005 0.000 1.046 909 V CB 0.687 32.513 31.823 0.005 0.000 0.851 909 V HN 0.646 nan 8.190 nan 0.000 0.435 910 L N 0.606 121.832 121.223 0.005 0.000 2.043 910 L HA -0.028 4.301 4.340 -0.018 0.000 0.212 910 L C 2.431 179.304 176.870 0.006 0.000 1.075 910 L CA 3.096 57.940 54.840 0.005 0.000 0.752 910 L CB -1.907 40.155 42.059 0.005 0.000 0.891 910 L HN 0.451 nan 8.230 nan 0.000 0.432 911 G N -1.330 107.473 108.800 0.005 0.000 2.394 911 G HA2 -0.001 3.948 3.960 -0.018 0.000 0.215 911 G HA3 -0.001 3.948 3.960 -0.018 0.000 0.215 911 G C 1.649 176.553 174.900 0.006 0.000 1.165 911 G CA 1.800 46.903 45.100 0.005 0.000 0.784 911 G HN 0.824 nan 8.290 nan 0.000 0.535 912 E N 0.392 120.595 120.200 0.006 0.000 2.106 912 E HA 0.146 4.485 4.350 -0.018 0.000 0.192 912 E C 2.766 179.370 176.600 0.007 0.000 0.984 912 E CA 1.721 58.125 56.400 0.007 0.000 0.806 912 E CB -1.076 28.628 29.700 0.006 0.000 0.750 912 E HN 0.829 nan 8.360 nan 0.000 0.458 913 L N 0.369 121.596 121.223 0.007 0.000 2.131 913 L HA 0.478 4.807 4.340 -0.018 0.000 0.210 913 L C 3.033 179.908 176.870 0.009 0.000 1.092 913 L CA 2.525 57.370 54.840 0.008 0.000 0.759 913 L CB -1.567 40.497 42.059 0.008 0.000 0.903 913 L HN 0.694 nan 8.230 nan 0.000 0.435 914 A N -0.117 122.708 122.820 0.008 0.000 1.930 914 A HA 0.136 4.445 4.320 -0.018 0.000 0.217 914 A C 2.749 180.338 177.584 0.008 0.000 1.175 914 A CA 1.699 53.740 52.037 0.008 0.000 0.627 914 A CB -1.279 17.725 19.000 0.007 0.000 0.815 914 A HN 0.841 nan 8.150 nan 0.000 0.443 915 G N -0.160 108.644 108.800 0.008 0.000 2.402 915 G HA2 0.039 3.987 3.960 -0.018 0.000 0.216 915 G HA3 0.039 3.987 3.960 -0.018 0.000 0.216 915 G C 1.659 176.565 174.900 0.010 0.000 1.162 915 G CA 1.941 47.045 45.100 0.008 0.000 0.777 915 G HN 0.990 nan 8.290 nan 0.000 0.539 916 L N -0.037 121.192 121.223 0.011 0.000 2.042 916 L HA 0.165 4.494 4.340 -0.018 0.000 0.210 916 L C 3.107 179.986 176.870 0.014 0.000 1.076 916 L CA 3.162 58.010 54.840 0.013 0.000 0.749 916 L CB -1.905 40.162 42.059 0.014 0.000 0.893 916 L HN 0.549 nan 8.230 nan 0.000 0.432 917 Q N -0.241 119.567 119.800 0.013 0.000 2.170 917 Q HA -0.156 4.173 4.340 -0.018 0.000 0.203 917 Q C 2.528 178.535 176.000 0.012 0.000 0.976 917 Q CA 3.364 59.175 55.803 0.013 0.000 0.858 917 Q CB -1.221 27.524 28.738 0.011 0.000 0.907 917 Q HN 0.963 nan 8.270 nan 0.000 0.433 918 K N -0.056 120.350 120.400 0.010 0.000 2.062 918 K HA 0.257 4.566 4.320 -0.018 0.000 0.205 918 K C 2.431 179.038 176.600 0.010 0.000 1.051 918 K CA 1.977 58.270 56.287 0.009 0.000 0.941 918 K CB -1.539 30.966 32.500 0.008 0.000 0.719 918 K HN 1.186 nan 8.250 nan 0.000 0.440 919 I N 1.130 121.707 120.570 0.012 0.000 2.315 919 I HA 0.123 4.282 4.170 -0.018 0.000 0.248 919 I C 3.074 179.200 176.117 0.016 0.000 1.117 919 I CA 2.135 63.443 61.300 0.013 0.000 1.404 919 I CB -1.724 36.285 38.000 0.015 0.000 1.071 919 I HN 0.595 nan 8.210 nan 0.000 0.419 920 I N 0.505 121.085 120.570 0.017 0.000 2.087 920 I HA -0.132 4.026 4.170 -0.018 0.000 0.240 920 I C 3.038 179.165 176.117 0.017 0.000 1.054 920 I CA 3.975 65.286 61.300 0.019 0.000 1.311 920 I CB -1.788 36.223 38.000 0.019 0.000 1.024 920 I HN 1.154 nan 8.210 nan 0.000 0.402 921 L N 0.575 121.806 121.223 0.014 0.000 2.021 921 L HA 0.113 4.442 4.340 -0.018 0.000 0.215 921 L C 2.250 179.127 176.870 0.011 0.000 1.074 921 L CA 3.674 58.521 54.840 0.012 0.000 0.760 921 L CB -2.437 39.628 42.059 0.010 0.000 0.889 921 L HN 1.243 nan 8.230 nan 0.000 0.433 930 S N -0.165 115.540 115.700 0.008 0.000 2.423 930 S HA 0.214 4.673 4.470 -0.018 0.000 0.231 930 S C 2.306 176.910 174.600 0.007 0.000 1.014 930 S CA 2.308 60.512 58.200 0.007 0.000 0.965 930 S CB -0.897 62.307 63.200 0.007 0.000 0.785 930 S HN 1.546 nan 8.310 nan 0.000 0.495 931 Y N -0.099 120.206 120.300 0.009 0.000 2.475 931 Y HA 0.469 5.008 4.550 -0.018 0.000 0.289 931 Y C 2.914 178.820 175.900 0.009 0.000 1.121 931 Y CA 1.161 59.266 58.100 0.009 0.000 1.257 931 Y CB -1.122 37.345 38.460 0.011 0.000 1.026 931 Y HN 0.587 nan 8.280 nan 0.000 0.555 932 L N 0.001 121.229 121.223 0.009 0.000 2.270 932 L HA 0.328 4.657 4.340 -0.018 0.000 0.210 932 L C 2.681 179.555 176.870 0.007 0.000 1.104 932 L CA 1.764 56.609 54.840 0.008 0.000 0.804 932 L CB -1.396 40.668 42.059 0.009 0.000 0.937 932 L HN 0.709 nan 8.230 nan 0.000 0.450 933 V N -0.840 119.078 119.914 0.007 0.000 2.302 933 V HA -0.000 4.109 4.120 -0.018 0.000 0.243 933 V C 2.753 178.850 176.094 0.006 0.000 1.036 933 V CA 3.493 65.797 62.300 0.006 0.000 1.020 933 V CB -1.370 30.456 31.823 0.005 0.000 0.657 933 V HN 0.578 nan 8.190 nan 0.000 0.453 934 T N -0.902 113.655 114.554 0.006 0.000 2.732 934 T HA 0.194 4.532 4.350 -0.018 0.000 0.261 934 T C 2.122 176.825 174.700 0.006 0.000 1.040 934 T CA 3.602 65.705 62.100 0.006 0.000 1.145 934 T CB -0.517 68.354 68.868 0.006 0.000 0.866 934 T HN 0.978 nan 8.240 nan 0.000 0.427 935 V N -0.122 119.796 119.914 0.007 0.000 2.326 935 V HA 0.324 4.433 4.120 -0.018 0.000 0.238 935 V C 2.766 178.864 176.094 0.007 0.000 1.038 935 V CA 2.187 64.491 62.300 0.007 0.000 1.032 935 V CB -1.548 30.280 31.823 0.008 0.000 0.675 935 V HN 0.721 nan 8.190 nan 0.000 0.467 936 Y N -0.834 119.470 120.300 0.008 0.000 2.133 936 Y HA -0.020 4.519 4.550 -0.018 0.000 0.287 936 Y C 2.779 178.683 175.900 0.007 0.000 1.134 936 Y CA 3.170 61.274 58.100 0.008 0.000 1.133 936 Y CB -1.337 37.129 38.460 0.008 0.000 0.987 936 Y HN 0.807 nan 8.280 nan 0.000 0.502 937 F N 0.265 120.218 119.950 0.006 0.000 2.269 937 F HA 0.128 4.643 4.527 -0.018 0.000 0.301 937 F C 1.067 176.870 175.800 0.005 0.000 1.082 937 F CA 1.935 59.939 58.000 0.006 0.000 1.360 937 F CB -2.199 36.804 39.000 0.005 0.000 1.041 937 F HN 0.428 nan 8.300 nan 0.000 0.512 938 P HA 0.261 nan 4.420 nan 0.000 0.222 938 P C 0.934 178.236 177.300 0.005 0.000 1.153 938 P CA 2.267 65.369 63.100 0.005 0.000 0.798 938 P CB -0.746 30.957 31.700 0.005 0.000 0.796 945 V N 0.754 120.669 119.914 0.003 0.000 2.332 945 V HA 0.227 4.335 4.120 -0.018 0.000 0.248 945 V C 3.196 179.291 176.094 0.003 0.000 1.055 945 V CA 4.735 67.037 62.300 0.003 0.000 1.038 945 V CB -1.227 30.598 31.823 0.003 0.000 0.651 945 V HN 1.218 nan 8.190 nan 0.000 0.450 946 M N -0.736 118.866 119.600 0.003 0.000 2.447 946 M HA 0.546 5.015 4.480 -0.018 0.000 0.264 946 M C 2.393 178.696 176.300 0.004 0.000 1.095 946 M CA 2.033 57.335 55.300 0.004 0.000 1.125 946 M CB -1.485 31.117 32.600 0.004 0.000 1.389 946 M HN 0.956 nan 8.290 nan 0.000 0.459 947 A N 0.623 123.446 122.820 0.004 0.000 1.898 947 A HA 0.187 4.496 4.320 -0.018 0.000 0.216 947 A C 2.617 180.204 177.584 0.004 0.000 1.181 947 A CA 2.323 54.362 52.037 0.004 0.000 0.620 947 A CB -1.083 17.920 19.000 0.004 0.000 0.819 947 A HN 1.022 nan 8.150 nan 0.000 0.442 948 S N -0.893 114.809 115.700 0.004 0.000 2.436 948 S HA 0.222 4.681 4.470 -0.018 0.000 0.228 948 S C 1.851 176.453 174.600 0.004 0.000 1.014 948 S CA 1.545 59.747 58.200 0.004 0.000 0.950 948 S CB -0.401 62.801 63.200 0.003 0.000 0.784 948 S HN 0.757 nan 8.310 nan 0.000 0.504 949 E N -0.369 119.833 120.200 0.004 0.000 2.299 949 E HA 0.154 4.493 4.350 -0.018 0.000 0.193 949 E C 1.991 178.594 176.600 0.004 0.000 0.998 949 E CA 1.116 57.518 56.400 0.004 0.000 0.851 949 E CB -1.679 28.023 29.700 0.003 0.000 0.795 949 E HN 1.071 nan 8.360 nan 0.000 0.492 950 Y N -0.455 119.848 120.300 0.004 0.000 2.337 950 Y HA 0.424 4.963 4.550 -0.018 0.000 0.293 950 Y C 2.948 178.851 175.900 0.005 0.000 1.123 950 Y CA 1.776 59.879 58.100 0.005 0.000 1.201 950 Y CB -0.744 37.719 38.460 0.005 0.000 1.011 950 Y HN 0.607 nan 8.280 nan 0.000 0.545 951 L N -0.233 120.993 121.223 0.005 0.000 2.395 951 L HA 0.197 4.526 4.340 -0.018 0.000 0.218 951 L C 2.160 179.033 176.870 0.005 0.000 1.130 951 L CA 2.213 57.056 54.840 0.005 0.000 0.826 951 L CB -1.899 40.163 42.059 0.005 0.000 0.941 951 L HN 0.721 nan 8.230 nan 0.000 0.451 952 Q N -0.877 118.926 119.800 0.004 0.000 2.212 952 Q HA 0.291 4.620 4.340 -0.018 0.000 0.199 952 Q C 2.559 178.561 176.000 0.004 0.000 0.950 952 Q CA 2.011 57.816 55.803 0.004 0.000 0.863 952 Q CB -0.757 27.983 28.738 0.003 0.000 0.944 952 Q HN 1.083 nan 8.270 nan 0.000 0.465 953 A N 0.702 123.525 122.820 0.004 0.000 1.858 953 A HA 0.205 4.514 4.320 -0.018 0.000 0.216 953 A C 2.678 180.265 177.584 0.005 0.000 1.190 953 A CA 2.813 54.853 52.037 0.004 0.000 0.617 953 A CB -1.089 17.913 19.000 0.004 0.000 0.827 953 A HN 1.335 nan 8.150 nan 0.000 0.443 954 L N -0.745 120.481 121.223 0.005 0.000 2.093 954 L HA 0.350 4.679 4.340 -0.018 0.000 0.208 954 L C 2.162 179.035 176.870 0.006 0.000 1.085 954 L CA 2.228 57.071 54.840 0.006 0.000 0.755 954 L CB -2.320 39.743 42.059 0.007 0.000 0.904 954 L HN 0.782 nan 8.230 nan 0.000 0.435 955 S N 0.000 115.703 115.700 0.005 0.000 2.498 955 S HA 0.000 4.459 4.470 -0.018 0.000 0.327 955 S CA 0.000 58.203 58.200 0.005 0.000 1.107 955 S CB 0.000 63.203 63.200 0.004 0.000 0.593 955 S HN 0.000 nan 8.310 nan 0.000 0.517