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 3pih_1_A DATA FIRST_RESID 2 DATA SEQUENCE NEIVVKGARV HNLKNITVRI PKNRLVVITG VSGSGKSSLA MDTIYAEGQR DATA SEQUENCE RYLESLSTYX XXXXXXXKKP DVDEIEGLSP AIAIDQKTXS HNPRSTVGTV DATA SEQUENCE TEIYDYLRVL YARIGKAHCP ECGRPLEKKS IDEILQDLFN SFKEGSRIYI DATA SEQUENCE LAPXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XLVVDRLILE TRNEHRILDS LELAMREGKG FVEIRNVDTG ESKIFSENLM DATA SEQUENCE CPVCGIGFPE ITPKLFSFNS PYGACPNCHG LGFTFEVDPS LVXXXXXXXX DATA SEQUENCE XXAIIPYRWD RRLSRWVARE IEKRGVSPXX XXXXXPEDVK EFILYGDXXF DATA SEQUENCE EGVVPKVQRW HRETXXXEMK EWLEKNFIVQ RTCSVCGGRR LNREALSVKI DATA SEQUENCE NGLNIHEFTE LSISEELEFL KNLNLTERER EIVGELLKEI EKRLEFLVDV DATA SEQUENCE GLEYLTLSRS ATTLSGGESQ RIRLATQIGS GLTGVIYVLD EPTIGLHPRD DATA SEQUENCE TERLIKTLKK LRDLGNTVIV VEHDEEVIRN ADHIIDIGPG GGTNGGRVVF DATA SEQUENCE QGTVDELLKN PDSSLTGEYL SGKRKITVNK TRRLPYASLK IKGVRHNNLK DATA SEQUENCE NIDVEIPLGV FVCVTGVSGS GKSSLVMETL YPALMNLLHK TKLPAGEFDS DATA SEQUENCE IEGHENIDKM IAIDQSPIGR TPRSNPATYT KVFDEIRSLF AMTPAAKARG DATA SEQUENCE YNKSRFSFNL KGGRCEACQG QGYVKIEMLF LPDVYVECDV CKGKRYNRET DATA SEQUENCE LEITYKGKNI SDILDMTVDE ALEFFKNIPS IKRTLQVLHD VGLGYVKLGQ DATA SEQUENCE PATTLSGGEA QRIKLASELR KRDTGRTLYI LDEPTVGLHF EDVRKLVEVL DATA SEQUENCE HRLVDRGNTV IVIEHNLDVI KNADHIIDLG PEGGKEGGYI VATGTPEEIA DATA SEQUENCE KNPHSYTGRF LKNVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.487 175.510 -0.038 0.000 1.280 2 N CA 0.000 53.033 53.050 -0.028 0.000 0.885 2 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 3 E N 1.074 121.250 120.200 -0.039 0.000 2.412 3 E HA 0.458 4.824 4.350 0.027 0.000 0.279 3 E C -1.057 175.520 176.600 -0.039 0.000 0.984 3 E CA -0.741 55.629 56.400 -0.050 0.000 0.788 3 E CB 1.570 31.229 29.700 -0.069 0.000 1.277 3 E HN 0.458 nan 8.360 nan 0.000 0.455 4 I N 1.151 121.698 120.570 -0.039 0.000 2.575 4 I HA 0.207 4.393 4.170 0.027 0.000 0.285 4 I C -0.442 175.659 176.117 -0.026 0.000 1.085 4 I CA -0.814 60.470 61.300 -0.026 0.000 1.403 4 I CB 1.235 39.223 38.000 -0.020 0.000 1.409 4 I HN 0.279 nan 8.210 nan 0.000 0.557 5 V N 7.005 126.909 119.914 -0.017 0.000 2.439 5 V HA 0.177 4.313 4.120 0.027 0.000 0.277 5 V C -0.074 176.015 176.094 -0.008 0.000 1.008 5 V CA -0.611 61.680 62.300 -0.015 0.000 0.846 5 V CB 1.463 33.276 31.823 -0.016 0.000 1.031 5 V HN 0.419 nan 8.190 nan 0.000 0.441 6 V N 5.658 125.570 119.914 -0.004 0.000 2.555 6 V HA 0.429 4.565 4.120 0.027 0.000 0.286 6 V C 0.194 176.288 176.094 -0.001 0.000 1.044 6 V CA -0.367 61.934 62.300 0.000 0.000 1.026 6 V CB 1.062 32.889 31.823 0.006 0.000 0.981 6 V HN 0.939 nan 8.190 nan 0.000 0.480 7 K N 2.987 123.387 120.400 -0.000 0.000 2.507 7 K HA 0.697 5.033 4.320 0.027 0.000 0.251 7 K C 0.255 176.856 176.600 0.001 0.000 0.943 7 K CA -0.470 55.816 56.287 -0.001 0.000 0.794 7 K CB 1.918 34.416 32.500 -0.003 0.000 1.188 7 K HN 0.981 nan 8.250 nan 0.000 0.428 8 G N 1.219 110.021 108.800 0.002 0.000 2.248 8 G HA2 -0.173 3.803 3.960 0.027 0.000 0.263 8 G HA3 -0.173 3.803 3.960 0.027 0.000 0.263 8 G C -0.063 174.841 174.900 0.006 0.000 1.082 8 G CA -0.144 44.959 45.100 0.003 0.000 0.863 8 G HN 0.922 nan 8.290 nan 0.000 0.495 9 A N 0.657 123.481 122.820 0.007 0.000 2.310 9 A HA 0.746 5.082 4.320 0.027 0.000 0.300 9 A C 1.136 178.728 177.584 0.014 0.000 1.269 9 A CA 0.231 52.274 52.037 0.011 0.000 0.909 9 A CB 0.187 19.194 19.000 0.012 0.000 1.144 9 A HN 1.286 nan 8.150 nan 0.000 0.540 10 R N 2.550 123.060 120.500 0.018 0.000 2.615 10 R HA 0.291 4.647 4.340 0.027 0.000 0.448 10 R C -1.130 175.193 176.300 0.038 0.000 1.009 10 R CA -0.285 55.829 56.100 0.023 0.000 1.111 10 R CB -0.599 29.712 30.300 0.018 0.000 1.461 10 R HN 0.320 nan 8.270 nan 0.000 0.587 11 V N 2.510 122.451 119.914 0.045 0.000 2.763 11 V HA -0.035 4.101 4.120 0.027 0.000 0.306 11 V C 1.401 177.576 176.094 0.135 0.000 1.059 11 V CA 0.933 63.274 62.300 0.070 0.000 1.138 11 V CB 0.098 31.956 31.823 0.059 0.000 0.940 11 V HN 0.682 nan 8.190 nan 0.000 0.489 12 H N 3.381 122.456 119.070 0.007 0.000 1.452 12 H HA -0.334 4.238 4.556 0.026 0.000 0.090 12 H C 1.553 176.891 175.328 0.017 0.000 0.964 12 H CA 1.724 57.780 56.048 0.013 0.000 1.901 12 H CB -0.369 29.403 29.762 0.017 0.000 2.257 12 H HN 0.877 nan 8.280 nan 0.000 0.961 13 N N 2.252 120.826 118.700 -0.211 0.000 2.461 13 N HA 0.009 4.765 4.740 0.027 0.000 0.188 13 N C -0.036 175.416 175.510 -0.097 0.000 1.134 13 N CA 0.179 53.091 53.050 -0.229 0.000 0.878 13 N CB 0.076 38.314 38.487 -0.414 0.000 0.972 13 N HN 0.187 nan 8.380 nan 0.000 0.456 14 L N 1.408 122.610 121.223 -0.035 0.000 2.499 14 L HA 0.022 4.378 4.340 0.027 0.000 0.273 14 L C 0.884 177.750 176.870 -0.007 0.000 1.195 14 L CA 0.492 55.324 54.840 -0.014 0.000 0.882 14 L CB 0.544 42.610 42.059 0.011 0.000 1.133 14 L HN -0.115 nan 8.230 nan 0.000 0.483 15 K N 2.903 123.297 120.400 -0.010 0.000 3.165 15 K HA 0.147 4.483 4.320 0.027 0.000 0.259 15 K C 0.341 176.941 176.600 0.001 0.000 1.282 15 K CA -0.019 56.264 56.287 -0.005 0.000 1.259 15 K CB -0.865 31.630 32.500 -0.009 0.000 1.546 15 K HN 0.527 nan 8.250 nan 0.000 0.384 16 N N 0.279 118.982 118.700 0.005 0.000 2.725 16 N HA -0.206 4.550 4.740 0.027 0.000 0.249 16 N C -0.222 175.291 175.510 0.004 0.000 1.103 16 N CA 0.757 53.811 53.050 0.006 0.000 0.707 16 N CB -1.228 37.263 38.487 0.006 0.000 1.043 16 N HN 0.604 nan 8.380 nan 0.000 0.553 17 I N -3.967 116.605 120.570 0.004 0.000 3.079 17 I HA 0.435 4.621 4.170 0.027 0.000 0.295 17 I C 0.182 176.301 176.117 0.003 0.000 1.094 17 I CA -0.149 61.153 61.300 0.003 0.000 1.295 17 I CB 1.185 39.187 38.000 0.002 0.000 1.443 17 I HN 0.052 nan 8.210 nan 0.000 0.607 18 T N 3.475 118.030 114.554 0.002 0.000 3.160 18 T HA 0.310 4.677 4.350 0.027 0.000 0.346 18 T C -0.814 173.886 174.700 -0.001 0.000 1.027 18 T CA -0.300 61.800 62.100 0.000 0.000 1.287 18 T CB 0.847 69.715 68.868 -0.001 0.000 0.997 18 T HN 0.551 nan 8.240 nan 0.000 0.518 19 V N 3.529 123.444 119.914 0.002 0.000 2.547 19 V HA 0.633 4.769 4.120 0.027 0.000 0.299 19 V C -0.515 175.579 176.094 -0.001 0.000 1.040 19 V CA -0.973 61.330 62.300 0.005 0.000 0.913 19 V CB 1.467 33.301 31.823 0.017 0.000 0.992 19 V HN 0.673 nan 8.190 nan 0.000 0.449 20 R N 6.138 126.633 120.500 -0.008 0.000 2.198 20 R HA 0.549 4.905 4.340 0.027 0.000 0.339 20 R C -0.880 175.386 176.300 -0.057 0.000 1.020 20 R CA -0.223 55.858 56.100 -0.033 0.000 0.864 20 R CB 1.013 31.287 30.300 -0.045 0.000 1.105 20 R HN 0.639 nan 8.270 nan 0.000 0.463 21 I N 5.270 125.805 120.570 -0.059 0.000 2.359 21 I HA 0.281 4.468 4.170 0.027 0.000 0.294 21 I C -2.061 173.972 176.117 -0.140 0.000 0.987 21 I CA -2.614 58.630 61.300 -0.092 0.000 1.225 21 I CB 1.701 39.691 38.000 -0.017 0.000 1.366 21 I HN 0.287 nan 8.210 nan 0.000 0.466 22 P HA 0.165 nan 4.420 nan 0.000 0.276 22 P C -0.904 176.340 177.300 -0.092 0.000 1.243 22 P CA -0.447 62.546 63.100 -0.179 0.000 0.768 22 P CB 0.438 31.989 31.700 -0.248 0.000 0.856 23 K N 2.578 122.940 120.400 -0.063 0.000 2.219 23 K HA 0.120 4.456 4.320 0.027 0.000 0.258 23 K C 0.598 177.182 176.600 -0.027 0.000 1.008 23 K CA -0.171 56.093 56.287 -0.038 0.000 0.928 23 K CB -0.040 32.441 32.500 -0.032 0.000 0.983 23 K HN 0.412 nan 8.250 nan 0.000 0.484 24 N N 1.659 120.351 118.700 -0.013 0.000 2.740 24 N HA -0.184 4.572 4.740 0.027 0.000 0.248 24 N C -1.062 174.449 175.510 0.002 0.000 1.062 24 N CA 1.002 54.051 53.050 -0.003 0.000 0.704 24 N CB -0.534 37.950 38.487 -0.006 0.000 0.968 24 N HN 0.442 nan 8.380 nan 0.000 0.547 25 R N -0.032 120.471 120.500 0.006 0.000 2.836 25 R HA 0.451 4.807 4.340 0.027 0.000 0.269 25 R C -0.252 176.066 176.300 0.029 0.000 1.010 25 R CA -0.982 55.128 56.100 0.016 0.000 0.930 25 R CB 0.731 31.037 30.300 0.010 0.000 1.218 25 R HN 0.118 nan 8.270 nan 0.000 0.473 26 L N 1.926 123.170 121.223 0.035 0.000 2.334 26 L HA 0.283 4.639 4.340 0.027 0.000 0.286 26 L C -0.959 175.945 176.870 0.057 0.000 1.108 26 L CA -0.106 54.755 54.840 0.035 0.000 0.875 26 L CB 0.434 42.508 42.059 0.024 0.000 1.246 26 L HN 0.231 nan 8.230 nan 0.000 0.439 27 V N 6.124 126.074 119.914 0.060 0.000 2.383 27 V HA 0.372 4.508 4.120 0.027 0.000 0.275 27 V C -0.050 176.075 176.094 0.051 0.000 1.036 27 V CA -0.600 61.754 62.300 0.090 0.000 0.889 27 V CB 1.560 33.446 31.823 0.104 0.000 0.985 27 V HN 0.446 nan 8.190 nan 0.000 0.459 28 V N 6.881 126.820 119.914 0.042 0.000 2.370 28 V HA 0.462 4.598 4.120 0.027 0.000 0.283 28 V C 0.025 176.121 176.094 0.003 0.000 1.023 28 V CA -0.411 61.891 62.300 0.005 0.000 0.857 28 V CB 1.519 33.337 31.823 -0.009 0.000 0.985 28 V HN 0.648 nan 8.190 nan 0.000 0.443 29 I N 5.302 125.864 120.570 -0.014 0.000 2.331 29 I HA 0.505 4.691 4.170 0.027 0.000 0.292 29 I C 0.495 176.586 176.117 -0.044 0.000 0.998 29 I CA 0.001 61.295 61.300 -0.010 0.000 1.267 29 I CB 1.568 39.567 38.000 -0.002 0.000 1.386 29 I HN 0.701 nan 8.210 nan 0.000 0.476 30 T N 1.962 116.510 114.554 -0.011 0.000 2.916 30 T HA 0.934 5.300 4.350 0.027 0.000 0.292 30 T C -0.182 174.548 174.700 0.050 0.000 1.064 30 T CA -1.034 61.060 62.100 -0.010 0.000 1.011 30 T CB 2.397 71.272 68.868 0.013 0.000 1.152 30 T HN 0.979 nan 8.240 nan 0.000 0.510 31 G N -0.323 108.554 108.800 0.128 0.000 2.376 31 G HA2 0.416 4.392 3.960 0.027 0.000 0.302 31 G HA3 0.416 4.392 3.960 0.027 0.000 0.302 31 G C -1.068 173.862 174.900 0.051 0.000 1.586 31 G CA -0.457 44.683 45.100 0.066 0.000 0.907 31 G HN 1.058 nan 8.290 nan 0.000 0.655 32 V N 0.999 120.715 119.914 -0.329 0.000 2.694 32 V HA 0.442 4.578 4.120 0.027 0.000 0.306 32 V C 1.361 177.391 176.094 -0.107 0.000 1.054 32 V CA 0.869 62.934 62.300 -0.392 0.000 1.161 32 V CB 1.361 32.910 31.823 -0.455 0.000 0.916 32 V HN 1.686 nan 8.190 nan 0.000 0.490 33 S N 5.123 120.802 115.700 -0.035 0.000 2.546 33 S HA 0.394 4.880 4.470 0.027 0.000 0.290 33 S C 1.180 175.800 174.600 0.034 0.000 1.262 33 S CA 0.788 59.002 58.200 0.024 0.000 1.083 33 S CB -0.335 62.862 63.200 -0.006 0.000 0.859 33 S HN 2.271 nan 8.310 nan 0.000 0.495 34 G N 3.340 112.175 108.800 0.058 0.000 2.278 34 G HA2 -0.296 3.681 3.960 0.027 0.000 0.210 34 G HA3 -0.296 3.681 3.960 0.027 0.000 0.210 34 G C 1.146 176.005 174.900 -0.067 0.000 1.000 34 G CA 0.599 45.750 45.100 0.086 0.000 0.635 34 G HN 1.517 nan 8.290 nan 0.000 0.495 35 S N 0.515 116.146 115.700 -0.115 0.000 2.440 35 S HA 0.279 4.765 4.470 0.027 0.000 0.240 35 S C 2.344 176.892 174.600 -0.086 0.000 1.014 35 S CA 1.833 59.953 58.200 -0.132 0.000 0.980 35 S CB -0.396 62.739 63.200 -0.108 0.000 0.775 35 S HN 2.511 nan 8.310 nan 0.000 0.499 36 G N 1.398 110.175 108.800 -0.037 0.000 2.140 36 G HA2 -0.250 3.726 3.960 0.027 0.000 0.211 36 G HA3 -0.250 3.726 3.960 0.027 0.000 0.211 36 G C 0.378 175.285 174.900 0.011 0.000 1.013 36 G CA 0.236 45.327 45.100 -0.015 0.000 0.705 36 G HN 0.766 nan 8.290 nan 0.000 0.508 37 K N -0.508 119.901 120.400 0.014 0.000 2.400 37 K HA 0.394 4.730 4.320 0.027 0.000 0.194 37 K C 2.070 178.685 176.600 0.025 0.000 1.033 37 K CA 1.349 57.646 56.287 0.015 0.000 1.021 37 K CB 0.110 32.614 32.500 0.006 0.000 0.808 37 K HN 0.152 nan 8.250 nan 0.000 0.505 38 S N 0.537 116.261 115.700 0.039 0.000 2.470 38 S HA 0.020 4.506 4.470 0.027 0.000 0.225 38 S C 1.604 176.244 174.600 0.067 0.000 1.006 38 S CA 0.610 58.839 58.200 0.048 0.000 0.934 38 S CB -0.107 63.127 63.200 0.056 0.000 0.778 38 S HN 0.334 nan 8.310 nan 0.000 0.517 39 S N 1.411 117.159 115.700 0.080 0.000 2.481 39 S HA 0.108 4.594 4.470 0.027 0.000 0.231 39 S C 1.589 176.230 174.600 0.068 0.000 0.996 39 S CA 0.386 58.643 58.200 0.095 0.000 0.942 39 S CB -0.058 63.227 63.200 0.141 0.000 0.768 39 S HN 0.392 nan 8.310 nan 0.000 0.520 40 L N 1.023 122.277 121.223 0.053 0.000 2.286 40 L HA 0.407 4.763 4.340 0.027 0.000 0.203 40 L C 2.153 179.053 176.870 0.050 0.000 1.068 40 L CA 1.191 56.057 54.840 0.043 0.000 0.811 40 L CB -0.831 41.246 42.059 0.031 0.000 0.989 40 L HN 0.150 nan 8.230 nan 0.000 0.467 41 A N -0.213 122.637 122.820 0.050 0.000 1.841 41 A HA -0.108 4.228 4.320 0.027 0.000 0.214 41 A C 2.153 179.795 177.584 0.096 0.000 1.195 41 A CA 2.108 54.178 52.037 0.056 0.000 0.611 41 A CB -0.433 18.586 19.000 0.032 0.000 0.835 41 A HN 0.432 nan 8.150 nan 0.000 0.443 42 M N -0.822 118.841 119.600 0.106 0.000 2.429 42 M HA 0.021 4.517 4.480 0.027 0.000 0.265 42 M C 0.753 177.150 176.300 0.162 0.000 1.120 42 M CA 1.034 56.443 55.300 0.182 0.000 1.173 42 M CB -0.946 31.741 32.600 0.145 0.000 1.343 42 M HN 0.309 nan 8.290 nan 0.000 0.464 43 D N -0.360 120.095 120.400 0.091 0.000 2.349 43 D HA 0.048 4.704 4.640 0.027 0.000 0.215 43 D C 1.344 177.659 176.300 0.024 0.000 1.016 43 D CA 0.751 54.779 54.000 0.047 0.000 0.870 43 D CB 0.595 41.422 40.800 0.045 0.000 0.917 43 D HN 0.291 nan 8.370 nan 0.000 0.524 44 T N -0.195 114.382 114.554 0.039 0.000 3.311 44 T HA 0.188 4.554 4.350 0.027 0.000 0.239 44 T C 2.135 176.849 174.700 0.023 0.000 0.976 44 T CA -0.211 61.902 62.100 0.022 0.000 1.283 44 T CB 0.336 69.220 68.868 0.028 0.000 1.113 44 T HN -0.085 nan 8.240 nan 0.000 0.392 45 I N 0.810 121.409 120.570 0.049 0.000 2.072 45 I HA -0.181 4.005 4.170 0.027 0.000 0.235 45 I C 2.296 178.467 176.117 0.089 0.000 1.058 45 I CA 1.817 63.152 61.300 0.057 0.000 1.320 45 I CB -0.445 37.592 38.000 0.063 0.000 1.047 45 I HN 0.304 nan 8.210 nan 0.000 0.397 46 Y N 1.648 121.945 120.300 -0.006 0.000 2.114 46 Y HA -0.359 4.207 4.550 0.027 0.000 0.282 46 Y C 2.532 178.428 175.900 -0.006 0.000 1.165 46 Y CA 1.576 59.670 58.100 -0.011 0.000 1.148 46 Y CB -0.192 38.265 38.460 -0.005 0.000 0.972 46 Y HN 0.164 nan 8.280 nan 0.000 0.504 47 A N -0.279 122.382 122.820 -0.264 0.000 2.024 47 A HA -0.224 4.112 4.320 0.027 0.000 0.220 47 A C 1.955 179.405 177.584 -0.224 0.000 1.164 47 A CA 2.023 53.841 52.037 -0.365 0.000 0.643 47 A CB -0.635 18.260 19.000 -0.175 0.000 0.806 47 A HN 0.606 nan 8.150 nan 0.000 0.451 48 E N -0.665 119.466 120.200 -0.116 0.000 2.102 48 E HA 0.103 4.469 4.350 0.027 0.000 0.190 48 E C 2.046 178.618 176.600 -0.045 0.000 0.971 48 E CA 1.005 57.366 56.400 -0.065 0.000 0.821 48 E CB -0.634 29.047 29.700 -0.031 0.000 0.777 48 E HN 0.361 nan 8.360 nan 0.000 0.460 49 G N 0.588 109.372 108.800 -0.027 0.000 2.432 49 G HA2 -0.314 3.662 3.960 0.027 0.000 0.219 49 G HA3 -0.314 3.662 3.960 0.027 0.000 0.219 49 G C 1.509 176.416 174.900 0.011 0.000 1.135 49 G CA 0.839 45.943 45.100 0.006 0.000 0.767 49 G HN 0.279 nan 8.290 nan 0.000 0.550 50 Q N -0.183 119.578 119.800 -0.065 0.000 2.020 50 Q HA -0.015 4.341 4.340 0.027 0.000 0.198 50 Q C 2.678 178.677 176.000 -0.001 0.000 0.974 50 Q CA 0.622 56.389 55.803 -0.060 0.000 0.829 50 Q CB -0.168 28.395 28.738 -0.291 0.000 0.894 50 Q HN 0.396 nan 8.270 nan 0.000 0.433 51 R N -0.053 120.409 120.500 -0.063 0.000 2.097 51 R HA -0.155 4.201 4.340 0.027 0.000 0.236 51 R C 2.330 178.634 176.300 0.006 0.000 1.135 51 R CA 1.726 57.806 56.100 -0.034 0.000 0.934 51 R CB -0.134 30.133 30.300 -0.056 0.000 0.846 51 R HN 0.211 nan 8.270 nan 0.000 0.431 52 R N -0.563 119.945 120.500 0.014 0.000 2.127 52 R HA -0.204 4.152 4.340 0.027 0.000 0.238 52 R C 2.066 178.388 176.300 0.036 0.000 1.134 52 R CA 1.430 57.540 56.100 0.017 0.000 0.975 52 R CB -0.878 29.434 30.300 0.020 0.000 0.865 52 R HN 0.437 nan 8.270 nan 0.000 0.447 53 Y N 1.546 121.826 120.300 -0.032 0.000 2.117 53 Y HA -0.135 4.431 4.550 0.027 0.000 0.277 53 Y C 2.395 178.282 175.900 -0.022 0.000 1.104 53 Y CA 1.495 59.580 58.100 -0.024 0.000 1.089 53 Y CB -0.573 37.874 38.460 -0.020 0.000 0.999 53 Y HN -0.152 nan 8.280 nan 0.000 0.480 54 L N 0.417 121.715 121.223 0.126 0.000 2.151 54 L HA -0.293 4.063 4.340 0.027 0.000 0.215 54 L C 1.953 178.776 176.870 -0.078 0.000 1.084 54 L CA 1.840 56.695 54.840 0.025 0.000 0.764 54 L CB -0.617 41.490 42.059 0.080 0.000 0.891 54 L HN 0.432 nan 8.230 nan 0.000 0.435 55 E N -0.835 119.324 120.200 -0.069 0.000 2.511 55 E HA -0.040 4.326 4.350 0.027 0.000 0.196 55 E C 1.727 178.266 176.600 -0.103 0.000 1.066 55 E CA 0.310 56.668 56.400 -0.070 0.000 0.871 55 E CB 0.193 29.866 29.700 -0.046 0.000 0.863 55 E HN 0.396 nan 8.360 nan 0.000 0.520 56 S N 0.179 115.775 115.700 -0.173 0.000 2.511 56 S HA 0.079 4.565 4.470 0.027 0.000 0.214 56 S C 0.730 175.202 174.600 -0.214 0.000 0.997 56 S CA -0.196 57.889 58.200 -0.192 0.000 0.908 56 S CB 0.389 63.446 63.200 -0.238 0.000 0.803 56 S HN 0.008 nan 8.310 nan 0.000 0.504 57 L N 1.676 122.758 121.223 -0.235 0.000 2.895 57 L HA 0.313 4.669 4.340 0.027 0.000 0.168 57 L C 1.202 178.014 176.870 -0.097 0.000 1.252 57 L CA 0.239 54.974 54.840 -0.175 0.000 1.305 57 L CB -0.356 41.603 42.059 -0.167 0.000 2.208 57 L HN 0.152 nan 8.230 nan 0.000 0.503 58 S N -1.002 114.660 115.700 -0.064 0.000 3.965 58 S HA 0.160 4.646 4.470 0.027 0.000 0.195 58 S C -0.043 174.537 174.600 -0.033 0.000 1.449 58 S CA -0.576 57.598 58.200 -0.043 0.000 0.965 58 S CB -1.556 61.627 63.200 -0.029 0.000 1.459 58 S HN 0.598 nan 8.310 nan 0.000 0.476 59 T N -0.075 114.456 114.554 -0.039 0.000 2.819 59 T HA 0.218 4.584 4.350 0.027 0.000 0.282 59 T C 0.678 175.365 174.700 -0.021 0.000 1.013 59 T CA 0.253 62.336 62.100 -0.029 0.000 1.159 59 T CB -0.855 67.994 68.868 -0.033 0.000 1.007 59 T HN 0.739 nan 8.240 nan 0.000 0.514 70 K N 2.323 122.706 120.400 -0.029 0.000 2.231 70 K HA 0.632 4.968 4.320 0.027 0.000 0.275 70 K C -2.251 174.334 176.600 -0.025 0.000 1.105 70 K CA -1.278 54.993 56.287 -0.028 0.000 0.931 70 K CB -0.036 32.451 32.500 -0.022 0.000 1.296 70 K HN 0.554 nan 8.250 nan 0.000 0.446 71 P HA -0.039 nan 4.420 nan 0.000 0.258 71 P C -0.452 176.842 177.300 -0.011 0.000 1.172 71 P CA -0.069 63.018 63.100 -0.021 0.000 0.762 71 P CB 0.538 32.222 31.700 -0.027 0.000 0.764 72 D N 4.212 124.609 120.400 -0.004 0.000 2.422 72 D HA 0.091 4.748 4.640 0.027 0.000 0.263 72 D C -0.558 175.744 176.300 0.005 0.000 1.334 72 D CA 0.460 54.461 54.000 0.001 0.000 1.105 72 D CB -0.290 40.514 40.800 0.007 0.000 1.107 72 D HN -0.069 nan 8.370 nan 0.000 0.522 73 V N 2.660 122.574 119.914 0.001 0.000 3.078 73 V HA 0.262 4.398 4.120 0.027 0.000 0.311 73 V C 0.807 176.900 176.094 -0.001 0.000 1.138 73 V CA -0.895 61.407 62.300 0.002 0.000 1.007 73 V CB 2.150 33.973 31.823 0.001 0.000 1.045 73 V HN 0.166 nan 8.190 nan 0.000 0.432 74 D N 0.754 121.154 120.400 0.000 0.000 2.146 74 D HA 0.115 4.771 4.640 0.027 0.000 0.209 74 D C 0.564 176.862 176.300 -0.003 0.000 0.973 74 D CA 1.216 55.215 54.000 -0.001 0.000 0.860 74 D CB 0.629 41.428 40.800 -0.001 0.000 1.015 74 D HN 0.717 nan 8.370 nan 0.000 0.465 75 E N -0.582 119.616 120.200 -0.003 0.000 2.412 75 E HA 0.483 4.849 4.350 0.027 0.000 0.279 75 E C -1.540 175.058 176.600 -0.004 0.000 0.984 75 E CA -0.479 55.918 56.400 -0.004 0.000 0.788 75 E CB 1.957 31.654 29.700 -0.005 0.000 1.277 75 E HN -0.112 nan 8.360 nan 0.000 0.455 76 I N 2.906 123.473 120.570 -0.004 0.000 2.563 76 I HA 0.202 4.388 4.170 0.027 0.000 0.281 76 I C -0.566 175.548 176.117 -0.005 0.000 1.110 76 I CA -0.492 60.805 61.300 -0.004 0.000 1.073 76 I CB 1.738 39.737 38.000 -0.002 0.000 1.215 76 I HN 0.375 nan 8.210 nan 0.000 0.460 77 E N 3.719 123.915 120.200 -0.007 0.000 2.373 77 E HA 0.438 4.804 4.350 0.027 0.000 0.263 77 E C 1.091 177.685 176.600 -0.010 0.000 1.073 77 E CA 0.270 56.664 56.400 -0.009 0.000 0.894 77 E CB 1.008 30.701 29.700 -0.011 0.000 1.008 77 E HN 0.864 nan 8.360 nan 0.000 0.420 78 G N 1.409 110.203 108.800 -0.010 0.000 2.212 78 G HA2 -0.300 3.676 3.960 0.027 0.000 0.266 78 G HA3 -0.300 3.676 3.960 0.027 0.000 0.266 78 G C 0.159 175.052 174.900 -0.011 0.000 0.978 78 G CA 0.259 45.351 45.100 -0.013 0.000 0.632 78 G HN 0.418 nan 8.290 nan 0.000 0.537 79 L N 2.158 123.377 121.223 -0.007 0.000 2.593 79 L HA 0.497 4.853 4.340 0.027 0.000 0.287 79 L C 0.415 177.282 176.870 -0.004 0.000 1.243 79 L CA 0.869 55.707 54.840 -0.004 0.000 0.890 79 L CB 0.655 42.715 42.059 0.000 0.000 1.134 79 L HN 0.268 nan 8.230 nan 0.000 0.502 80 S N 4.692 120.385 115.700 -0.012 0.000 2.599 80 S HA 0.602 5.088 4.470 0.027 0.000 0.294 80 S C -2.630 171.955 174.600 -0.025 0.000 1.094 80 S CA -1.192 56.995 58.200 -0.021 0.000 0.931 80 S CB 1.673 64.844 63.200 -0.049 0.000 1.093 80 S HN 0.514 nan 8.310 nan 0.000 0.488 81 P HA 0.083 nan 4.420 nan 0.000 0.259 81 P C -1.229 175.999 177.300 -0.120 0.000 1.155 81 P CA 0.479 63.527 63.100 -0.086 0.000 0.759 81 P CB 0.064 31.632 31.700 -0.221 0.000 0.753 82 A N 4.275 127.071 122.820 -0.041 0.000 2.340 82 A HA 0.771 5.107 4.320 0.027 0.000 0.331 82 A C -0.553 177.079 177.584 0.079 0.000 1.140 82 A CA -0.668 51.380 52.037 0.019 0.000 0.801 82 A CB 0.878 19.989 19.000 0.186 0.000 1.234 82 A HN 0.466 nan 8.150 nan 0.000 0.469 83 I N 1.124 121.645 120.570 -0.081 0.000 2.499 83 I HA 0.518 4.704 4.170 0.027 0.000 0.288 83 I C 0.253 176.164 176.117 -0.345 0.000 1.048 83 I CA -0.469 60.763 61.300 -0.114 0.000 1.062 83 I CB 2.110 40.067 38.000 -0.072 0.000 1.238 83 I HN 0.728 nan 8.210 nan 0.000 0.426 84 A N 7.879 130.232 122.820 -0.778 0.000 2.274 84 A HA 0.779 5.115 4.320 0.027 0.000 0.309 84 A C -0.510 176.898 177.584 -0.294 0.000 1.226 84 A CA -0.399 51.191 52.037 -0.745 0.000 0.853 84 A CB 0.340 18.589 19.000 -1.251 0.000 1.146 84 A HN 0.645 nan 8.150 nan 0.000 0.518 85 I N 2.742 123.207 120.570 -0.174 0.000 2.377 85 I HA 0.544 4.730 4.170 0.027 0.000 0.293 85 I C -0.432 175.625 176.117 -0.099 0.000 0.987 85 I CA -0.434 60.800 61.300 -0.109 0.000 1.185 85 I CB 1.719 39.660 38.000 -0.099 0.000 1.341 85 I HN 0.935 nan 8.210 nan 0.000 0.455 86 D N 3.377 123.732 120.400 -0.075 0.000 2.992 86 D HA 0.117 4.773 4.640 0.027 0.000 0.349 86 D C -1.275 175.001 176.300 -0.041 0.000 1.393 86 D CA -0.761 53.205 54.000 -0.056 0.000 0.887 86 D CB 0.381 41.151 40.800 -0.050 0.000 1.447 86 D HN 0.247 nan 8.370 nan 0.000 0.524 87 Q N -0.448 119.336 119.800 -0.028 0.000 2.489 87 Q HA 0.469 4.826 4.340 0.027 0.000 0.231 87 Q C -0.984 175.001 176.000 -0.024 0.000 1.273 87 Q CA 0.315 56.106 55.803 -0.021 0.000 0.898 87 Q CB 0.237 28.970 28.738 -0.009 0.000 1.545 87 Q HN 0.158 nan 8.270 nan 0.000 0.538 88 K N 1.233 121.610 120.400 -0.037 0.000 2.675 88 K HA 0.205 4.541 4.320 0.027 0.000 0.224 88 K C -0.489 176.062 176.600 -0.082 0.000 1.003 88 K CA -0.300 55.953 56.287 -0.057 0.000 1.034 88 K CB 1.033 33.502 32.500 -0.051 0.000 1.218 88 K HN 0.510 nan 8.250 nan 0.000 0.507 92 H N 1.486 120.584 119.070 0.047 0.000 2.582 92 H HA 0.160 4.732 4.556 0.027 0.000 0.269 92 H C 0.996 176.363 175.328 0.064 0.000 0.962 92 H CA 0.142 56.219 56.048 0.049 0.000 1.230 92 H CB 0.312 30.101 29.762 0.045 0.000 1.445 92 H HN 0.625 nan 8.280 nan 0.000 0.528 93 N N 1.316 120.134 118.700 0.197 0.000 2.515 93 N HA 0.017 4.773 4.740 0.027 0.000 0.279 93 N C -2.289 173.314 175.510 0.155 0.000 1.164 93 N CA -1.821 51.325 53.050 0.160 0.000 0.982 93 N CB 1.122 39.692 38.487 0.139 0.000 1.170 93 N HN -0.098 nan 8.380 nan 0.000 0.474 94 P HA 0.077 nan 4.420 nan 0.000 0.239 94 P C 0.586 177.982 177.300 0.160 0.000 1.184 94 P CA 0.801 64.028 63.100 0.212 0.000 0.760 94 P CB 0.238 32.141 31.700 0.338 0.000 0.884 95 R N -1.356 119.236 120.500 0.153 0.000 2.362 95 R HA 0.245 4.601 4.340 0.027 0.000 0.227 95 R C 0.233 176.664 176.300 0.218 0.000 0.905 95 R CA 0.069 56.286 56.100 0.195 0.000 1.067 95 R CB 0.318 30.735 30.300 0.195 0.000 1.078 95 R HN 0.050 nan 8.270 nan 0.000 0.516 96 S N 1.195 116.983 115.700 0.146 0.000 2.475 96 S HA 0.184 4.671 4.470 0.027 0.000 0.281 96 S C 0.286 174.938 174.600 0.085 0.000 1.198 96 S CA -0.431 57.841 58.200 0.119 0.000 1.063 96 S CB 1.533 64.787 63.200 0.091 0.000 0.972 96 S HN 0.249 nan 8.310 nan 0.000 0.486 97 T N -0.568 114.032 114.554 0.077 0.000 2.940 97 T HA 0.467 4.833 4.350 0.027 0.000 0.288 97 T C 1.303 176.009 174.700 0.010 0.000 1.045 97 T CA -0.877 61.231 62.100 0.012 0.000 1.018 97 T CB 0.730 69.574 68.868 -0.041 0.000 1.151 97 T HN 0.137 nan 8.240 nan 0.000 0.529 98 V N 1.569 121.471 119.914 -0.019 0.000 2.324 98 V HA -0.076 4.060 4.120 0.027 0.000 0.250 98 V C 2.842 178.950 176.094 0.023 0.000 1.060 98 V CA 2.641 64.933 62.300 -0.012 0.000 1.042 98 V CB -1.535 30.259 31.823 -0.048 0.000 0.650 98 V HN 1.115 nan 8.190 nan 0.000 0.450 99 G N 0.262 109.073 108.800 0.018 0.000 2.545 99 G HA2 -0.376 3.600 3.960 0.027 0.000 0.217 99 G HA3 -0.376 3.600 3.960 0.027 0.000 0.217 99 G C 1.825 176.816 174.900 0.150 0.000 1.218 99 G CA 2.105 47.261 45.100 0.094 0.000 0.787 99 G HN 0.572 nan 8.290 nan 0.000 0.571 100 T N -0.946 113.674 114.554 0.109 0.000 2.788 100 T HA -0.091 4.275 4.350 0.027 0.000 0.268 100 T C 2.282 177.044 174.700 0.103 0.000 1.044 100 T CA 1.696 63.876 62.100 0.133 0.000 1.139 100 T CB -0.515 68.417 68.868 0.107 0.000 0.867 100 T HN 0.020 nan 8.240 nan 0.000 0.454 101 V N 2.736 122.698 119.914 0.080 0.000 2.626 101 V HA -0.086 4.050 4.120 0.027 0.000 0.252 101 V C 2.929 179.065 176.094 0.070 0.000 1.067 101 V CA 2.017 64.355 62.300 0.063 0.000 1.081 101 V CB -1.031 30.817 31.823 0.042 0.000 0.686 101 V HN 0.876 nan 8.190 nan 0.000 0.468 102 T N -3.548 111.059 114.554 0.088 0.000 3.107 102 T HA 0.122 4.488 4.350 0.027 0.000 0.249 102 T C 0.845 175.634 174.700 0.149 0.000 1.096 102 T CA 0.480 62.642 62.100 0.103 0.000 1.012 102 T CB 0.064 68.992 68.868 0.099 0.000 0.977 102 T HN 0.616 nan 8.240 nan 0.000 0.527 103 E N -0.018 120.273 120.200 0.151 0.000 3.975 103 E HA -0.224 4.142 4.350 0.027 0.000 0.342 103 E C 1.150 177.910 176.600 0.267 0.000 0.677 103 E CA 1.243 57.746 56.400 0.171 0.000 1.238 103 E CB -2.329 27.483 29.700 0.187 0.000 1.665 103 E HN 0.563 nan 8.360 nan 0.000 0.429 104 I N 0.470 121.208 120.570 0.281 0.000 2.264 104 I HA -0.268 3.918 4.170 0.027 0.000 0.248 104 I C 2.500 178.810 176.117 0.322 0.000 1.111 104 I CA 1.931 63.426 61.300 0.326 0.000 1.382 104 I CB -0.444 37.687 38.000 0.218 0.000 1.060 104 I HN 0.178 nan 8.210 nan 0.000 0.418 105 Y N 1.993 122.369 120.300 0.127 0.000 2.256 105 Y HA -0.329 4.237 4.550 0.027 0.000 0.288 105 Y C 2.001 177.925 175.900 0.041 0.000 1.155 105 Y CA 1.811 59.964 58.100 0.089 0.000 1.203 105 Y CB -0.052 38.450 38.460 0.070 0.000 0.980 105 Y HN 0.259 nan 8.280 nan 0.000 0.530 106 D N -0.807 119.579 120.400 -0.024 0.000 2.084 106 D HA -0.221 4.435 4.640 0.027 0.000 0.194 106 D C 1.676 177.829 176.300 -0.244 0.000 0.990 106 D CA 1.944 55.818 54.000 -0.211 0.000 0.826 106 D CB -0.654 39.995 40.800 -0.252 0.000 0.971 106 D HN 0.380 nan 8.370 nan 0.000 0.453 107 Y N 0.804 121.067 120.300 -0.062 0.000 2.193 107 Y HA -0.165 4.401 4.550 0.027 0.000 0.285 107 Y C 2.272 178.101 175.900 -0.118 0.000 1.166 107 Y CA 0.724 58.783 58.100 -0.068 0.000 1.181 107 Y CB -0.507 37.933 38.460 -0.033 0.000 0.976 107 Y HN 0.014 nan 8.280 nan 0.000 0.520 108 L N -0.541 120.682 121.223 0.000 0.000 2.046 108 L HA -0.245 4.111 4.340 0.027 0.000 0.208 108 L C 2.547 179.278 176.870 -0.232 0.000 1.077 108 L CA 1.391 56.167 54.840 -0.107 0.000 0.747 108 L CB -0.470 41.538 42.059 -0.085 0.000 0.896 108 L HN 0.192 nan 8.230 nan 0.000 0.432 109 R N -0.723 119.550 120.500 -0.377 0.000 2.127 109 R HA -0.136 4.220 4.340 0.027 0.000 0.238 109 R C 2.129 178.315 176.300 -0.189 0.000 1.134 109 R CA 1.115 57.013 56.100 -0.337 0.000 0.975 109 R CB -0.273 29.855 30.300 -0.287 0.000 0.865 109 R HN 0.244 nan 8.270 nan 0.000 0.447 110 V N 0.919 120.748 119.914 -0.143 0.000 2.407 110 V HA -0.186 3.950 4.120 0.027 0.000 0.245 110 V C 2.114 178.144 176.094 -0.107 0.000 1.041 110 V CA 1.111 63.361 62.300 -0.084 0.000 1.040 110 V CB -0.331 31.456 31.823 -0.061 0.000 0.671 110 V HN 0.211 nan 8.190 nan 0.000 0.455 111 L N -0.566 120.573 121.223 -0.141 0.000 2.017 111 L HA -0.182 4.174 4.340 0.027 0.000 0.208 111 L C 2.266 178.954 176.870 -0.302 0.000 1.073 111 L CA 2.168 56.890 54.840 -0.197 0.000 0.745 111 L CB -0.711 41.215 42.059 -0.223 0.000 0.894 111 L HN 0.343 nan 8.230 nan 0.000 0.432 112 Y N -0.766 119.232 120.300 -0.504 0.000 2.352 112 Y HA -0.120 4.446 4.550 0.027 0.000 0.292 112 Y C 2.412 178.028 175.900 -0.474 0.000 1.136 112 Y CA 1.126 58.810 58.100 -0.693 0.000 1.227 112 Y CB -0.501 37.118 38.460 -1.402 0.000 0.991 112 Y HN 0.327 nan 8.280 nan 0.000 0.545 113 A N 0.282 123.007 122.820 -0.157 0.000 1.873 113 A HA -0.141 4.195 4.320 0.027 0.000 0.215 113 A C 2.308 179.934 177.584 0.069 0.000 1.186 113 A CA 1.341 53.498 52.037 0.199 0.000 0.616 113 A CB -0.324 18.798 19.000 0.203 0.000 0.823 113 A HN 0.281 nan 8.150 nan 0.000 0.442 114 R N -0.663 119.824 120.500 -0.022 0.000 2.055 114 R HA 0.082 4.438 4.340 0.027 0.000 0.228 114 R C 1.293 177.564 176.300 -0.048 0.000 1.143 114 R CA 1.526 57.606 56.100 -0.034 0.000 0.945 114 R CB -0.978 29.290 30.300 -0.054 0.000 0.841 114 R HN 0.509 nan 8.270 nan 0.000 0.429 115 I N -0.665 119.844 120.570 -0.101 0.000 3.205 115 I HA 0.664 4.850 4.170 0.027 0.000 0.310 115 I C 0.532 176.577 176.117 -0.121 0.000 1.089 115 I CA -0.518 60.719 61.300 -0.105 0.000 1.023 115 I CB 0.731 38.648 38.000 -0.139 0.000 1.269 115 I HN 0.414 nan 8.210 nan 0.000 0.512 116 G N 0.668 109.416 108.800 -0.087 0.000 3.421 116 G HA2 0.565 4.541 3.960 0.027 0.000 0.686 116 G HA3 0.565 4.541 3.960 0.027 0.000 0.686 116 G C -0.634 174.328 174.900 0.103 0.000 1.056 116 G CA 0.202 45.279 45.100 -0.040 0.000 0.891 116 G HN 2.377 nan 8.290 nan 0.000 0.514 117 K N 0.780 121.275 120.400 0.157 0.000 2.172 117 K HA 1.018 5.354 4.320 0.027 0.000 0.276 117 K C 0.792 177.592 176.600 0.333 0.000 1.013 117 K CA 0.567 56.968 56.287 0.190 0.000 0.913 117 K CB 1.556 34.136 32.500 0.133 0.000 1.055 117 K HN 2.343 nan 8.250 nan 0.000 0.461 118 A N 2.488 125.462 122.820 0.257 0.000 2.407 118 A HA 0.578 4.914 4.320 0.027 0.000 0.248 118 A C -0.314 177.487 177.584 0.362 0.000 1.082 118 A CA -0.043 52.176 52.037 0.303 0.000 0.785 118 A CB -0.121 18.982 19.000 0.172 0.000 1.020 118 A HN 0.908 nan 8.150 nan 0.000 0.489 119 H N -0.705 118.414 119.070 0.082 0.000 2.824 119 H HA 0.473 5.045 4.556 0.027 0.000 0.345 119 H C -0.160 175.203 175.328 0.059 0.000 1.252 119 H CA -1.090 54.998 56.048 0.068 0.000 1.246 119 H CB 0.877 30.683 29.762 0.072 0.000 1.908 119 H HN 0.769 nan 8.280 nan 0.000 0.601 120 C N 2.892 122.297 119.300 0.174 0.000 2.576 120 C HA 0.199 4.675 4.460 0.027 0.000 0.401 120 C C -1.298 173.755 174.990 0.104 0.000 1.314 120 C CA -1.294 57.790 59.018 0.111 0.000 1.855 120 C CB -0.402 27.387 27.740 0.080 0.000 2.537 120 C HN 0.594 nan 8.230 nan 0.000 0.578 121 P HA -0.040 nan 4.420 nan 0.000 0.250 121 P C 0.594 177.924 177.300 0.049 0.000 1.239 121 P CA 1.154 64.290 63.100 0.061 0.000 0.756 121 P CB -0.117 31.611 31.700 0.048 0.000 1.013 122 E N -2.899 117.334 120.200 0.054 0.000 2.756 122 E HA -0.047 4.319 4.350 0.027 0.000 0.218 122 E C 1.364 177.992 176.600 0.047 0.000 1.042 122 E CA 0.266 56.692 56.400 0.043 0.000 1.713 122 E CB -0.856 28.866 29.700 0.036 0.000 2.443 122 E HN 0.269 nan 8.360 nan 0.000 1.080 123 C N 0.949 120.282 119.300 0.054 0.000 2.634 123 C HA 0.666 5.142 4.460 0.027 0.000 0.268 123 C C 1.906 176.939 174.990 0.071 0.000 1.322 123 C CA 0.678 59.729 59.018 0.055 0.000 1.737 123 C CB -0.292 27.477 27.740 0.049 0.000 1.976 123 C HN 0.743 nan 8.230 nan 0.000 0.547 124 G N 0.395 109.252 108.800 0.095 0.000 2.168 124 G HA2 0.003 3.979 3.960 0.027 0.000 0.263 124 G HA3 0.003 3.979 3.960 0.027 0.000 0.263 124 G C 0.278 175.277 174.900 0.165 0.000 0.977 124 G CA 0.707 45.892 45.100 0.141 0.000 0.659 124 G HN 1.299 nan 8.290 nan 0.000 0.533 125 R N 0.354 120.912 120.500 0.097 0.000 2.347 125 R HA 0.661 5.017 4.340 0.027 0.000 0.304 125 R C -2.038 174.248 176.300 -0.022 0.000 1.072 125 R CA -0.919 55.208 56.100 0.045 0.000 0.980 125 R CB -0.467 29.853 30.300 0.032 0.000 0.986 125 R HN 0.262 nan 8.270 nan 0.000 0.448 126 P HA 0.009 nan 4.420 nan 0.000 0.260 126 P C -0.182 177.025 177.300 -0.154 0.000 1.185 126 P CA 0.094 62.975 63.100 -0.365 0.000 0.763 126 P CB 0.338 31.822 31.700 -0.360 0.000 0.776 127 L N 3.493 124.651 121.223 -0.108 0.000 2.464 127 L HA 0.250 4.606 4.340 0.027 0.000 0.264 127 L C 0.984 177.833 176.870 -0.035 0.000 1.199 127 L CA 0.223 55.045 54.840 -0.030 0.000 0.818 127 L CB 0.196 42.262 42.059 0.012 0.000 1.102 127 L HN 0.377 nan 8.230 nan 0.000 0.473 128 E N 1.193 121.383 120.200 -0.016 0.000 2.293 128 E HA 0.526 4.892 4.350 0.027 0.000 0.270 128 E C -1.371 175.210 176.600 -0.033 0.000 0.879 128 E CA -0.924 55.461 56.400 -0.024 0.000 0.756 128 E CB 2.782 32.474 29.700 -0.013 0.000 1.208 128 E HN 0.464 nan 8.360 nan 0.000 0.428 129 K N -0.954 119.413 120.400 -0.055 0.000 2.551 129 K HA 0.818 5.154 4.320 0.027 0.000 0.269 129 K C -1.409 175.125 176.600 -0.110 0.000 0.949 129 K CA -1.052 55.185 56.287 -0.083 0.000 0.849 129 K CB 1.613 34.067 32.500 -0.076 0.000 1.411 129 K HN 0.343 nan 8.250 nan 0.000 0.432 130 K N 0.601 120.911 120.400 -0.150 0.000 2.426 130 K HA 0.546 4.882 4.320 0.027 0.000 0.251 130 K C -0.272 176.231 176.600 -0.161 0.000 0.941 130 K CA -0.481 55.691 56.287 -0.192 0.000 0.808 130 K CB 1.519 33.811 32.500 -0.346 0.000 1.265 130 K HN 0.865 nan 8.250 nan 0.000 0.432 131 S N 0.067 115.685 115.700 -0.136 0.000 2.617 131 S HA 0.333 4.819 4.470 0.027 0.000 0.259 131 S C 1.508 176.044 174.600 -0.107 0.000 1.301 131 S CA 0.022 58.161 58.200 -0.101 0.000 0.984 131 S CB 0.049 63.202 63.200 -0.079 0.000 0.954 131 S HN 1.178 nan 8.310 nan 0.000 0.572 132 I N -2.422 118.109 120.570 -0.065 0.000 2.676 132 I HA -0.056 4.130 4.170 0.027 0.000 0.259 132 I C 1.049 177.143 176.117 -0.039 0.000 1.194 132 I CA 1.318 62.593 61.300 -0.041 0.000 1.473 132 I CB -0.726 37.267 38.000 -0.012 0.000 1.096 132 I HN 0.483 nan 8.210 nan 0.000 0.443 133 D N 1.716 122.087 120.400 -0.049 0.000 2.097 133 D HA -0.162 4.494 4.640 0.027 0.000 0.197 133 D C 2.110 178.372 176.300 -0.064 0.000 0.984 133 D CA 1.444 55.419 54.000 -0.041 0.000 0.826 133 D CB -0.092 40.682 40.800 -0.044 0.000 0.973 133 D HN 0.477 nan 8.370 nan 0.000 0.460 134 E N 0.178 120.312 120.200 -0.110 0.000 2.150 134 E HA -0.097 4.269 4.350 0.027 0.000 0.193 134 E C 2.316 178.777 176.600 -0.231 0.000 0.985 134 E CA 0.654 56.960 56.400 -0.156 0.000 0.814 134 E CB -0.036 29.553 29.700 -0.184 0.000 0.752 134 E HN 0.532 nan 8.360 nan 0.000 0.466 135 I N -1.361 119.040 120.570 -0.281 0.000 2.585 135 I HA -0.100 4.086 4.170 0.027 0.000 0.254 135 I C 2.331 178.395 176.117 -0.088 0.000 1.129 135 I CA 0.384 61.454 61.300 -0.383 0.000 1.455 135 I CB -0.273 37.449 38.000 -0.464 0.000 1.111 135 I HN 0.045 nan 8.210 nan 0.000 0.433 136 L N 1.516 122.738 121.223 -0.001 0.000 2.081 136 L HA -0.197 4.159 4.340 0.027 0.000 0.212 136 L C 2.516 179.509 176.870 0.204 0.000 1.080 136 L CA 2.071 56.985 54.840 0.123 0.000 0.754 136 L CB -0.929 41.208 42.059 0.130 0.000 0.893 136 L HN 0.467 nan 8.230 nan 0.000 0.433 137 Q N -0.624 119.228 119.800 0.086 0.000 2.137 137 Q HA -0.159 4.197 4.340 0.027 0.000 0.198 137 Q C 1.861 177.899 176.000 0.062 0.000 0.960 137 Q CA 1.282 57.140 55.803 0.091 0.000 0.847 137 Q CB -0.298 28.441 28.738 0.003 0.000 0.915 137 Q HN 0.557 nan 8.270 nan 0.000 0.448 138 D N 0.981 121.359 120.400 -0.036 0.000 2.092 138 D HA -0.134 4.522 4.640 0.027 0.000 0.193 138 D C 2.102 178.352 176.300 -0.084 0.000 0.994 138 D CA 0.923 54.883 54.000 -0.068 0.000 0.828 138 D CB -0.168 40.550 40.800 -0.136 0.000 0.963 138 D HN 0.145 nan 8.370 nan 0.000 0.450 139 L N -0.659 120.507 121.223 -0.096 0.000 2.010 139 L HA -0.242 4.114 4.340 0.027 0.000 0.219 139 L C 2.569 179.306 176.870 -0.222 0.000 1.077 139 L CA 1.324 56.005 54.840 -0.266 0.000 0.773 139 L CB -0.775 41.177 42.059 -0.179 0.000 0.892 139 L HN 0.048 nan 8.230 nan 0.000 0.436 140 F N 0.037 119.972 119.950 -0.026 0.000 2.699 140 F HA -0.100 4.443 4.527 0.027 0.000 0.298 140 F C 2.148 177.952 175.800 0.006 0.000 1.154 140 F CA 0.587 58.596 58.000 0.015 0.000 1.457 140 F CB -0.344 38.665 39.000 0.015 0.000 1.106 140 F HN 0.200 nan 8.300 nan 0.000 0.585 141 N N -0.580 118.182 118.700 0.104 0.000 2.414 141 N HA -0.073 4.683 4.740 0.027 0.000 0.189 141 N C 2.022 177.549 175.510 0.029 0.000 1.039 141 N CA 1.457 54.543 53.050 0.060 0.000 0.889 141 N CB -0.811 37.693 38.487 0.029 0.000 1.085 141 N HN 0.066 nan 8.380 nan 0.000 0.442 142 S N 0.486 116.148 115.700 -0.064 0.000 2.399 142 S HA 0.012 4.498 4.470 0.027 0.000 0.231 142 S C 0.761 175.466 174.600 0.175 0.000 1.022 142 S CA 0.814 58.976 58.200 -0.063 0.000 0.983 142 S CB -0.333 62.687 63.200 -0.300 0.000 0.803 142 S HN 0.189 nan 8.310 nan 0.000 0.480 143 F N 1.154 121.095 119.950 -0.015 0.000 2.492 143 F HA 0.464 5.007 4.527 0.027 0.000 0.327 143 F C 0.407 176.180 175.800 -0.045 0.000 1.079 143 F CA -1.427 56.543 58.000 -0.050 0.000 0.967 143 F CB 1.303 40.242 39.000 -0.102 0.000 1.169 143 F HN -0.180 nan 8.300 nan 0.000 0.472 144 K N 1.872 122.365 120.400 0.156 0.000 2.276 144 K HA 0.050 4.386 4.320 0.027 0.000 0.283 144 K C -0.202 176.432 176.600 0.056 0.000 1.044 144 K CA -0.330 56.007 56.287 0.083 0.000 0.944 144 K CB 0.824 33.349 32.500 0.040 0.000 1.012 144 K HN 0.580 nan 8.250 nan 0.000 0.472 145 E N 2.672 122.926 120.200 0.089 0.000 2.463 145 E HA -0.040 4.326 4.350 0.027 0.000 0.248 145 E C 0.438 177.071 176.600 0.055 0.000 1.106 145 E CA 0.861 57.322 56.400 0.101 0.000 0.946 145 E CB -0.178 29.634 29.700 0.186 0.000 0.971 145 E HN 0.851 nan 8.360 nan 0.000 0.478 146 G N 2.995 111.807 108.800 0.020 0.000 2.624 146 G HA2 -0.206 3.770 3.960 0.027 0.000 0.190 146 G HA3 -0.206 3.770 3.960 0.027 0.000 0.190 146 G C 0.182 175.060 174.900 -0.037 0.000 1.008 146 G CA -0.121 44.980 45.100 0.001 0.000 0.731 146 G HN 0.537 nan 8.290 nan 0.000 0.478 147 S N 2.146 117.808 115.700 -0.062 0.000 2.561 147 S HA 0.339 4.825 4.470 0.027 0.000 0.294 147 S C 0.839 175.365 174.600 -0.124 0.000 1.294 147 S CA 0.305 58.428 58.200 -0.128 0.000 1.055 147 S CB 0.287 63.367 63.200 -0.200 0.000 0.819 147 S HN 0.707 nan 8.310 nan 0.000 0.503 148 R N 2.905 123.313 120.500 -0.153 0.000 2.254 148 R HA 0.619 4.975 4.340 0.027 0.000 0.318 148 R C -0.119 176.058 176.300 -0.204 0.000 1.031 148 R CA -0.538 55.478 56.100 -0.141 0.000 0.905 148 R CB 0.056 30.276 30.300 -0.134 0.000 1.050 148 R HN 0.682 nan 8.270 nan 0.000 0.456 149 I N -0.894 119.605 120.570 -0.118 0.000 2.892 149 I HA 0.515 4.701 4.170 0.027 0.000 0.306 149 I C -1.242 174.925 176.117 0.084 0.000 1.078 149 I CA -1.535 59.718 61.300 -0.079 0.000 1.032 149 I CB 2.301 40.320 38.000 0.032 0.000 1.229 149 I HN 0.557 nan 8.210 nan 0.000 0.435 150 Y N 3.662 123.962 120.300 -0.001 0.000 2.393 150 Y HA 0.610 5.176 4.550 0.027 0.000 0.341 150 Y C -0.315 175.603 175.900 0.030 0.000 0.988 150 Y CA -1.129 56.977 58.100 0.009 0.000 1.078 150 Y CB 2.552 41.011 38.460 -0.002 0.000 1.203 150 Y HN 0.370 nan 8.280 nan 0.000 0.453 151 I N 5.356 126.035 120.570 0.181 0.000 2.354 151 I HA 0.182 4.368 4.170 0.027 0.000 0.286 151 I C -0.730 175.423 176.117 0.061 0.000 1.007 151 I CA -0.441 60.927 61.300 0.113 0.000 1.167 151 I CB 0.742 38.800 38.000 0.097 0.000 1.320 151 I HN 0.355 nan 8.210 nan 0.000 0.458 152 L N 4.970 126.231 121.223 0.063 0.000 2.397 152 L HA 0.766 5.122 4.340 0.027 0.000 0.266 152 L C 0.261 177.157 176.870 0.044 0.000 1.040 152 L CA -0.759 54.101 54.840 0.034 0.000 0.800 152 L CB 1.586 43.668 42.059 0.038 0.000 1.324 152 L HN 0.617 nan 8.230 nan 0.000 0.469 153 A N 1.084 123.925 122.820 0.034 0.000 2.679 153 A HA 0.694 5.030 4.320 0.027 0.000 0.288 153 A C -2.509 175.099 177.584 0.039 0.000 1.160 153 A CA -0.805 51.263 52.037 0.051 0.000 0.763 153 A CB 0.444 19.469 19.000 0.042 0.000 1.270 153 A HN 0.469 nan 8.150 nan 0.000 0.417 204 V N 2.004 121.863 119.914 -0.092 0.000 2.458 204 V HA 0.446 4.582 4.120 0.027 0.000 0.287 204 V C 1.372 177.414 176.094 -0.086 0.000 1.009 204 V CA 1.604 63.819 62.300 -0.142 0.000 1.091 204 V CB 0.676 32.363 31.823 -0.227 0.000 0.960 204 V HN 1.149 nan 8.190 nan 0.000 0.476 205 V N 3.831 123.711 119.914 -0.057 0.000 2.521 205 V HA 0.184 4.320 4.120 0.027 0.000 0.239 205 V C 0.739 176.825 176.094 -0.015 0.000 1.053 205 V CA 1.490 63.778 62.300 -0.020 0.000 1.073 205 V CB 0.575 32.404 31.823 0.010 0.000 0.746 205 V HN 1.081 nan 8.190 nan 0.000 0.476 206 D N -1.115 119.281 120.400 -0.007 0.000 2.626 206 D HA 0.475 5.131 4.640 0.027 0.000 0.278 206 D C -0.952 175.371 176.300 0.038 0.000 1.211 206 D CA -0.770 53.239 54.000 0.015 0.000 0.903 206 D CB 1.898 42.725 40.800 0.045 0.000 1.408 206 D HN 0.133 nan 8.370 nan 0.000 0.454 207 R N 1.617 122.171 120.500 0.089 0.000 2.585 207 R HA 0.550 4.906 4.340 0.027 0.000 0.288 207 R C -1.477 174.914 176.300 0.152 0.000 1.194 207 R CA -0.601 55.630 56.100 0.218 0.000 1.006 207 R CB 0.068 30.510 30.300 0.237 0.000 1.229 207 R HN 0.555 nan 8.270 nan 0.000 0.412 208 L N 0.478 121.777 121.223 0.128 0.000 2.598 208 L HA 0.705 5.061 4.340 0.027 0.000 0.246 208 L C -1.305 175.589 176.870 0.040 0.000 1.124 208 L CA -1.377 53.508 54.840 0.074 0.000 1.019 208 L CB 1.362 43.462 42.059 0.069 0.000 1.583 208 L HN 0.355 nan 8.230 nan 0.000 0.386 209 I N 1.889 122.477 120.570 0.030 0.000 2.441 209 I HA 0.262 4.448 4.170 0.027 0.000 0.295 209 I C -0.810 175.315 176.117 0.014 0.000 0.994 209 I CA -0.639 60.666 61.300 0.008 0.000 1.144 209 I CB 2.222 40.229 38.000 0.011 0.000 1.314 209 I HN 0.429 nan 8.210 nan 0.000 0.445 210 L N 7.383 128.590 121.223 -0.027 0.000 2.451 210 L HA 0.178 4.534 4.340 0.027 0.000 0.272 210 L C 0.026 176.908 176.870 0.019 0.000 1.258 210 L CA 0.641 55.426 54.840 -0.092 0.000 1.132 210 L CB -0.856 41.066 42.059 -0.228 0.000 1.361 210 L HN 0.496 nan 8.230 nan 0.000 0.438 211 E N 0.777 121.062 120.200 0.143 0.000 2.207 211 E HA 0.256 4.622 4.350 0.027 0.000 0.270 211 E C 0.982 177.794 176.600 0.352 0.000 0.927 211 E CA 0.207 56.740 56.400 0.222 0.000 0.799 211 E CB 1.386 31.158 29.700 0.119 0.000 1.172 211 E HN 0.585 nan 8.360 nan 0.000 0.404 212 T N -0.357 114.366 114.554 0.282 0.000 2.759 212 T HA -0.246 4.120 4.350 0.027 0.000 0.269 212 T C 1.710 176.442 174.700 0.053 0.000 1.042 212 T CA 0.942 63.088 62.100 0.077 0.000 1.140 212 T CB -0.038 68.792 68.868 -0.064 0.000 0.864 212 T HN 0.374 nan 8.240 nan 0.000 0.455 213 R N 1.715 122.247 120.500 0.052 0.000 2.303 213 R HA -0.033 4.323 4.340 0.027 0.000 0.225 213 R C 0.535 176.848 176.300 0.021 0.000 1.114 213 R CA 1.099 57.208 56.100 0.015 0.000 1.007 213 R CB -0.480 29.831 30.300 0.017 0.000 0.861 213 R HN 0.341 nan 8.270 nan 0.000 0.471 214 N N 0.701 119.449 118.700 0.080 0.000 2.251 214 N HA -0.020 4.736 4.740 0.027 0.000 0.217 214 N C 0.767 176.350 175.510 0.121 0.000 1.124 214 N CA 0.005 53.108 53.050 0.089 0.000 0.843 214 N CB 0.523 39.072 38.487 0.104 0.000 1.024 214 N HN 0.358 nan 8.380 nan 0.000 0.501 215 E N 0.431 120.694 120.200 0.105 0.000 2.048 215 E HA -0.272 4.094 4.350 0.027 0.000 0.202 215 E C 0.956 177.700 176.600 0.240 0.000 1.021 215 E CA 1.683 58.179 56.400 0.161 0.000 0.825 215 E CB -0.086 29.668 29.700 0.089 0.000 0.756 215 E HN 0.604 nan 8.360 nan 0.000 0.454 216 H N -0.955 118.148 119.070 0.055 0.000 2.389 216 H HA -0.041 4.531 4.556 0.027 0.000 0.299 216 H C 2.472 177.829 175.328 0.048 0.000 1.081 216 H CA 0.827 56.901 56.048 0.043 0.000 1.345 216 H CB 0.003 29.783 29.762 0.029 0.000 1.393 216 H HN 0.116 nan 8.280 nan 0.000 0.520 217 R N 1.315 121.923 120.500 0.180 0.000 2.083 217 R HA -0.146 4.210 4.340 0.027 0.000 0.237 217 R C 2.158 178.524 176.300 0.110 0.000 1.137 217 R CA 1.599 57.770 56.100 0.118 0.000 0.951 217 R CB -0.211 30.144 30.300 0.092 0.000 0.851 217 R HN 0.272 nan 8.270 nan 0.000 0.434 218 I N 0.702 121.348 120.570 0.128 0.000 2.142 218 I HA -0.323 3.863 4.170 0.027 0.000 0.240 218 I C 2.373 178.555 176.117 0.109 0.000 1.078 218 I CA 1.295 62.668 61.300 0.122 0.000 1.343 218 I CB -0.417 37.674 38.000 0.151 0.000 1.046 218 I HN 0.249 nan 8.210 nan 0.000 0.405 219 L N 0.313 121.605 121.223 0.116 0.000 2.013 219 L HA -0.294 4.062 4.340 0.027 0.000 0.212 219 L C 2.477 179.376 176.870 0.048 0.000 1.073 219 L CA 1.574 56.459 54.840 0.074 0.000 0.753 219 L CB -0.717 41.373 42.059 0.052 0.000 0.890 219 L HN 0.389 nan 8.230 nan 0.000 0.432 220 D N -0.404 120.027 120.400 0.051 0.000 2.104 220 D HA -0.155 4.501 4.640 0.027 0.000 0.194 220 D C 2.155 178.479 176.300 0.041 0.000 0.994 220 D CA 1.774 55.795 54.000 0.035 0.000 0.830 220 D CB 0.278 41.104 40.800 0.043 0.000 0.959 220 D HN 0.256 nan 8.370 nan 0.000 0.452 221 S N 0.465 116.197 115.700 0.054 0.000 2.383 221 S HA -0.055 4.431 4.470 0.027 0.000 0.227 221 S C 2.228 176.862 174.600 0.058 0.000 1.026 221 S CA 0.203 58.435 58.200 0.053 0.000 0.981 221 S CB -0.169 63.067 63.200 0.060 0.000 0.818 221 S HN 0.294 nan 8.310 nan 0.000 0.472 222 L N 1.410 122.673 121.223 0.067 0.000 2.013 222 L HA -0.192 4.164 4.340 0.027 0.000 0.212 222 L C 2.880 179.783 176.870 0.055 0.000 1.073 222 L CA 1.619 56.502 54.840 0.072 0.000 0.753 222 L CB -0.438 41.666 42.059 0.075 0.000 0.890 222 L HN 0.439 nan 8.230 nan 0.000 0.432 223 E N 0.124 120.348 120.200 0.039 0.000 2.028 223 E HA -0.264 4.102 4.350 0.027 0.000 0.191 223 E C 2.260 178.878 176.600 0.031 0.000 0.988 223 E CA 1.150 57.566 56.400 0.027 0.000 0.799 223 E CB -0.039 29.669 29.700 0.013 0.000 0.755 223 E HN 0.265 nan 8.360 nan 0.000 0.447 224 L N 1.138 122.380 121.223 0.031 0.000 2.079 224 L HA -0.153 4.204 4.340 0.027 0.000 0.210 224 L C 2.315 179.208 176.870 0.038 0.000 1.081 224 L CA 2.128 56.986 54.840 0.030 0.000 0.752 224 L CB -0.705 41.370 42.059 0.027 0.000 0.896 224 L HN 0.179 nan 8.230 nan 0.000 0.433 225 A N -1.308 121.540 122.820 0.047 0.000 1.972 225 A HA -0.226 4.110 4.320 0.027 0.000 0.219 225 A C 2.267 179.895 177.584 0.073 0.000 1.169 225 A CA 2.103 54.175 52.037 0.058 0.000 0.635 225 A CB -0.487 18.554 19.000 0.068 0.000 0.810 225 A HN 0.531 nan 8.150 nan 0.000 0.446 226 M N -1.788 117.852 119.600 0.066 0.000 2.287 226 M HA -0.009 4.487 4.480 0.027 0.000 0.266 226 M C 2.286 178.628 176.300 0.070 0.000 1.079 226 M CA 1.093 56.437 55.300 0.074 0.000 1.146 226 M CB -0.172 32.454 32.600 0.044 0.000 1.374 226 M HN 0.512 nan 8.290 nan 0.000 0.435 227 R N 0.936 121.465 120.500 0.049 0.000 2.132 227 R HA -0.199 4.157 4.340 0.027 0.000 0.233 227 R C 1.839 178.168 176.300 0.048 0.000 1.125 227 R CA 2.076 58.201 56.100 0.042 0.000 0.914 227 R CB -0.241 30.076 30.300 0.029 0.000 0.845 227 R HN 0.261 nan 8.270 nan 0.000 0.431 228 E N -0.606 119.620 120.200 0.044 0.000 2.106 228 E HA -0.102 4.264 4.350 0.027 0.000 0.192 228 E C 1.849 178.480 176.600 0.053 0.000 0.984 228 E CA 1.311 57.734 56.400 0.039 0.000 0.806 228 E CB -0.385 29.331 29.700 0.028 0.000 0.750 228 E HN 0.654 nan 8.360 nan 0.000 0.458 229 G N 0.555 109.403 108.800 0.079 0.000 2.776 229 G HA2 -0.044 3.932 3.960 0.027 0.000 0.209 229 G HA3 -0.044 3.932 3.960 0.027 0.000 0.209 229 G C 0.828 175.824 174.900 0.161 0.000 1.145 229 G CA 0.673 45.842 45.100 0.114 0.000 0.791 229 G HN 0.370 nan 8.290 nan 0.000 0.530 230 K N -0.896 119.584 120.400 0.135 0.000 3.162 230 K HA 0.107 4.443 4.320 0.027 0.000 0.268 230 K C 1.846 178.621 176.600 0.291 0.000 1.062 230 K CA 1.630 58.012 56.287 0.159 0.000 0.769 230 K CB -2.466 30.097 32.500 0.105 0.000 1.274 230 K HN 2.211 nan 8.250 nan 0.000 0.478 231 G N -2.495 106.427 108.800 0.204 0.000 2.179 231 G HA2 -0.129 3.847 3.960 0.027 0.000 0.260 231 G HA3 -0.129 3.847 3.960 0.027 0.000 0.260 231 G C 0.184 175.102 174.900 0.030 0.000 0.977 231 G CA 0.370 45.539 45.100 0.115 0.000 0.641 231 G HN 1.434 nan 8.290 nan 0.000 0.533 232 F N -0.314 119.661 119.950 0.042 0.000 2.458 232 F HA 0.689 5.232 4.527 0.027 0.000 0.336 232 F C 0.236 176.066 175.800 0.051 0.000 1.114 232 F CA -0.951 57.079 58.000 0.050 0.000 0.987 232 F CB 2.372 41.392 39.000 0.034 0.000 1.130 232 F HN 0.096 nan 8.300 nan 0.000 0.458 233 V N 3.999 124.021 119.914 0.179 0.000 2.709 233 V HA 0.474 4.610 4.120 0.027 0.000 0.308 233 V C -1.188 174.960 176.094 0.090 0.000 1.062 233 V CA -0.319 62.062 62.300 0.135 0.000 0.901 233 V CB 1.938 33.837 31.823 0.127 0.000 1.003 233 V HN 0.862 nan 8.190 nan 0.000 0.425 234 E N 5.790 126.028 120.200 0.063 0.000 2.195 234 E HA 0.573 4.939 4.350 0.027 0.000 0.271 234 E C -1.492 175.127 176.600 0.031 0.000 0.923 234 E CA -0.801 55.602 56.400 0.006 0.000 0.790 234 E CB 1.617 31.331 29.700 0.023 0.000 1.155 234 E HN 0.630 nan 8.360 nan 0.000 0.402 235 I N 3.948 124.517 120.570 -0.001 0.000 2.447 235 I HA 0.398 4.584 4.170 0.027 0.000 0.287 235 I C -0.082 176.113 176.117 0.131 0.000 1.023 235 I CA -0.622 60.736 61.300 0.096 0.000 1.083 235 I CB 1.220 39.298 38.000 0.130 0.000 1.245 235 I HN 0.513 nan 8.210 nan 0.000 0.434 236 R N 3.422 124.003 120.500 0.136 0.000 2.407 236 R HA 0.304 4.660 4.340 0.027 0.000 0.303 236 R C -0.021 176.241 176.300 -0.062 0.000 0.981 236 R CA -0.592 55.546 56.100 0.064 0.000 0.905 236 R CB 1.733 32.068 30.300 0.058 0.000 1.099 236 R HN 0.554 nan 8.270 nan 0.000 0.459 237 N N 1.877 120.431 118.700 -0.243 0.000 2.555 237 N HA 0.023 4.779 4.740 0.027 0.000 0.244 237 N C 1.067 176.344 175.510 -0.390 0.000 1.114 237 N CA -0.274 52.418 53.050 -0.596 0.000 0.963 237 N CB 0.708 38.539 38.487 -1.093 0.000 1.276 237 N HN 0.322 nan 8.380 nan 0.000 0.510 238 V N 2.611 122.292 119.914 -0.388 0.000 2.546 238 V HA -0.269 3.867 4.120 0.027 0.000 0.254 238 V C 1.411 177.336 176.094 -0.282 0.000 1.076 238 V CA 1.627 63.689 62.300 -0.397 0.000 1.087 238 V CB -0.376 31.085 31.823 -0.602 0.000 0.674 238 V HN 0.713 nan 8.190 nan 0.000 0.470 239 D N 0.061 120.296 120.400 -0.275 0.000 2.085 239 D HA -0.102 4.554 4.640 0.027 0.000 0.199 239 D C 2.380 178.574 176.300 -0.176 0.000 0.981 239 D CA 2.145 56.022 54.000 -0.205 0.000 0.834 239 D CB -0.470 40.211 40.800 -0.199 0.000 0.992 239 D HN 0.627 nan 8.370 nan 0.000 0.457 240 T N -3.279 111.148 114.554 -0.213 0.000 3.054 240 T HA 0.296 4.662 4.350 0.027 0.000 0.259 240 T C 1.740 176.368 174.700 -0.120 0.000 1.092 240 T CA 1.166 63.173 62.100 -0.154 0.000 1.121 240 T CB 0.571 69.341 68.868 -0.164 0.000 0.912 240 T HN 0.255 nan 8.240 nan 0.000 0.489 241 G N 1.238 109.953 108.800 -0.143 0.000 2.217 241 G HA2 -0.271 3.705 3.960 0.027 0.000 0.246 241 G HA3 -0.271 3.705 3.960 0.027 0.000 0.246 241 G C -0.091 174.773 174.900 -0.061 0.000 0.990 241 G CA 0.205 45.250 45.100 -0.092 0.000 0.627 241 G HN 0.866 nan 8.290 nan 0.000 0.522 242 E N 1.105 121.268 120.200 -0.061 0.000 2.414 242 E HA 0.444 4.810 4.350 0.027 0.000 0.263 242 E C 0.171 176.809 176.600 0.064 0.000 1.000 242 E CA 0.598 57.012 56.400 0.023 0.000 0.914 242 E CB 0.398 30.157 29.700 0.098 0.000 0.948 242 E HN 0.326 nan 8.360 nan 0.000 0.444 243 S N 3.787 119.527 115.700 0.066 0.000 2.513 243 S HA 0.462 4.948 4.470 0.027 0.000 0.299 243 S C -1.190 173.406 174.600 -0.007 0.000 1.087 243 S CA -0.845 57.384 58.200 0.049 0.000 1.012 243 S CB 0.981 64.189 63.200 0.013 0.000 1.044 243 S HN 0.472 nan 8.310 nan 0.000 0.485 244 K N 3.378 123.718 120.400 -0.100 0.000 2.545 244 K HA 0.463 4.799 4.320 0.027 0.000 0.252 244 K C -1.573 174.669 176.600 -0.597 0.000 0.948 244 K CA -0.524 55.535 56.287 -0.380 0.000 0.827 244 K CB 1.335 33.531 32.500 -0.508 0.000 1.128 244 K HN 0.498 nan 8.250 nan 0.000 0.429 245 I N 3.490 123.762 120.570 -0.496 0.000 2.392 245 I HA 0.427 4.613 4.170 0.027 0.000 0.295 245 I C -0.505 175.382 176.117 -0.385 0.000 0.985 245 I CA -0.321 60.776 61.300 -0.338 0.000 1.221 245 I CB 0.487 38.461 38.000 -0.044 0.000 1.366 245 I HN 0.336 nan 8.210 nan 0.000 0.467 246 F N 2.516 122.468 119.950 0.003 0.000 2.611 246 F HA 0.726 5.269 4.527 0.027 0.000 0.324 246 F C 0.238 175.879 175.800 -0.265 0.000 1.061 246 F CA -1.269 56.675 58.000 -0.093 0.000 0.954 246 F CB 2.064 41.018 39.000 -0.076 0.000 1.301 246 F HN 0.304 nan 8.300 nan 0.000 0.482 247 S N -0.156 115.459 115.700 -0.141 0.000 2.547 247 S HA 0.305 4.791 4.470 0.027 0.000 0.281 247 S C 0.067 174.504 174.600 -0.272 0.000 1.118 247 S CA -0.624 57.262 58.200 -0.523 0.000 0.947 247 S CB 1.029 63.715 63.200 -0.855 0.000 1.053 247 S HN 0.740 nan 8.310 nan 0.000 0.482 248 E N 2.861 122.923 120.200 -0.230 0.000 2.494 248 E HA 0.132 4.498 4.350 0.027 0.000 0.193 248 E C 0.001 176.535 176.600 -0.111 0.000 1.074 248 E CA 0.063 56.385 56.400 -0.130 0.000 0.867 248 E CB -0.059 29.594 29.700 -0.078 0.000 0.924 248 E HN 0.437 nan 8.360 nan 0.000 0.502 249 N N 0.795 119.406 118.700 -0.149 0.000 2.455 249 N HA 0.309 5.065 4.740 0.027 0.000 0.278 249 N C -0.908 174.560 175.510 -0.070 0.000 1.291 249 N CA -0.784 52.218 53.050 -0.080 0.000 0.780 249 N CB 1.576 40.043 38.487 -0.033 0.000 1.520 249 N HN -0.046 nan 8.380 nan 0.000 0.486 250 L N 1.312 122.524 121.223 -0.018 0.000 2.410 250 L HA 0.553 4.910 4.340 0.027 0.000 0.273 250 L C 0.729 177.620 176.870 0.034 0.000 1.152 250 L CA 0.474 55.316 54.840 0.003 0.000 0.855 250 L CB 0.035 42.107 42.059 0.020 0.000 1.129 250 L HN 0.544 nan 8.230 nan 0.000 0.463 251 M N 2.138 121.761 119.600 0.039 0.000 2.520 251 M HA 0.404 4.900 4.480 0.027 0.000 0.280 251 M C -1.004 175.337 176.300 0.068 0.000 1.232 251 M CA -0.800 54.550 55.300 0.083 0.000 0.892 251 M CB 1.392 34.081 32.600 0.150 0.000 1.728 251 M HN 0.662 nan 8.290 nan 0.000 0.475 252 C N 3.478 122.824 119.300 0.075 0.000 2.415 252 C HA 0.671 5.147 4.460 0.027 0.000 0.369 252 C C -1.095 173.933 174.990 0.064 0.000 1.279 252 C CA -0.719 58.335 59.018 0.059 0.000 1.886 252 C CB 0.497 28.271 27.740 0.057 0.000 2.468 252 C HN 0.831 nan 8.230 nan 0.000 0.553 253 P HA -0.026 nan 4.420 nan 0.000 0.219 253 P C 1.026 178.354 177.300 0.048 0.000 1.150 253 P CA 1.435 64.567 63.100 0.053 0.000 0.814 253 P CB 0.076 31.800 31.700 0.040 0.000 0.787 254 V N -0.991 118.948 119.914 0.042 0.000 3.541 254 V HA -0.007 4.129 4.120 0.027 0.000 0.267 254 V C 1.810 177.926 176.094 0.038 0.000 1.213 254 V CA 1.890 64.212 62.300 0.037 0.000 1.149 254 V CB -1.067 30.776 31.823 0.034 0.000 0.822 254 V HN 0.346 nan 8.190 nan 0.000 0.462 255 C N -4.403 114.924 119.300 0.044 0.000 4.822 255 C HA 0.556 5.032 4.460 0.027 0.000 0.440 255 C C 1.362 176.380 174.990 0.047 0.000 1.635 255 C CA -0.066 58.976 59.018 0.040 0.000 2.123 255 C CB -0.059 27.703 27.740 0.037 0.000 3.091 255 C HN 2.063 nan 8.230 nan 0.000 0.603 256 G N 2.964 111.804 108.800 0.066 0.000 2.370 256 G HA2 -0.131 3.845 3.960 0.027 0.000 0.295 256 G HA3 -0.131 3.845 3.960 0.027 0.000 0.295 256 G C -0.427 174.519 174.900 0.076 0.000 1.045 256 G CA 0.598 45.751 45.100 0.089 0.000 1.199 256 G HN 1.723 nan 8.290 nan 0.000 0.513 257 I N -1.696 118.921 120.570 0.078 0.000 2.530 257 I HA 0.865 5.051 4.170 0.027 0.000 0.297 257 I C 0.552 176.722 176.117 0.088 0.000 1.011 257 I CA -1.120 60.222 61.300 0.069 0.000 1.107 257 I CB 2.448 40.479 38.000 0.051 0.000 1.285 257 I HN 0.245 nan 8.210 nan 0.000 0.436 258 G N 4.565 113.417 108.800 0.087 0.000 2.404 258 G HA2 0.540 4.516 3.960 0.027 0.000 0.316 258 G HA3 0.540 4.516 3.960 0.027 0.000 0.316 258 G C -0.153 174.786 174.900 0.064 0.000 1.074 258 G CA -0.361 44.795 45.100 0.093 0.000 0.989 258 G HN 0.775 nan 8.290 nan 0.000 0.430 259 F N 3.028 123.013 119.950 0.059 0.000 2.589 259 F HA 0.490 5.033 4.527 0.027 0.000 0.352 259 F C -1.196 174.624 175.800 0.034 0.000 1.168 259 F CA -1.401 56.627 58.000 0.046 0.000 1.353 259 F CB -0.611 38.420 39.000 0.052 0.000 1.116 259 F HN 0.541 nan 8.300 nan 0.000 0.608 260 P HA 0.226 nan 4.420 nan 0.000 0.293 260 P C -0.786 176.509 177.300 -0.007 0.000 1.298 260 P CA -0.555 62.549 63.100 0.006 0.000 0.757 260 P CB 0.263 31.958 31.700 -0.008 0.000 1.262 261 E N 0.348 120.536 120.200 -0.020 0.000 2.166 261 E HA 0.125 4.491 4.350 0.027 0.000 0.279 261 E C -0.626 175.934 176.600 -0.067 0.000 1.095 261 E CA -0.401 55.977 56.400 -0.037 0.000 0.888 261 E CB -0.278 29.391 29.700 -0.052 0.000 1.041 261 E HN 0.149 nan 8.360 nan 0.000 0.414 262 I N 5.320 125.870 120.570 -0.033 0.000 2.483 262 I HA 0.028 4.214 4.170 0.027 0.000 0.291 262 I C 0.396 176.518 176.117 0.007 0.000 1.112 262 I CA 0.804 62.096 61.300 -0.014 0.000 1.350 262 I CB 0.328 38.375 38.000 0.078 0.000 1.419 262 I HN 0.456 nan 8.210 nan 0.000 0.523 263 T N 3.120 117.651 114.554 -0.039 0.000 2.843 263 T HA 0.472 4.838 4.350 0.027 0.000 0.302 263 T C -2.333 172.413 174.700 0.077 0.000 1.232 263 T CA -1.775 60.327 62.100 0.002 0.000 1.009 263 T CB 1.923 70.725 68.868 -0.110 0.000 1.254 263 T HN 0.075 nan 8.240 nan 0.000 0.504 264 P HA -0.046 nan 4.420 nan 0.000 0.216 264 P C 1.784 179.131 177.300 0.079 0.000 1.150 264 P CA 2.291 65.505 63.100 0.190 0.000 0.843 264 P CB -0.279 31.439 31.700 0.031 0.000 0.787 265 K N -0.277 120.094 120.400 -0.048 0.000 2.281 265 K HA -0.128 4.208 4.320 0.027 0.000 0.203 265 K C 1.871 178.445 176.600 -0.043 0.000 1.046 265 K CA 1.783 58.036 56.287 -0.057 0.000 0.938 265 K CB -1.791 30.590 32.500 -0.199 0.000 0.737 265 K HN 0.172 nan 8.250 nan 0.000 0.458 266 L N -1.338 119.771 121.223 -0.190 0.000 2.341 266 L HA 0.300 4.656 4.340 0.027 0.000 0.214 266 L C 1.508 178.125 176.870 -0.422 0.000 1.115 266 L CA 1.231 55.862 54.840 -0.348 0.000 0.820 266 L CB -0.057 41.643 42.059 -0.598 0.000 0.944 266 L HN 0.312 nan 8.230 nan 0.000 0.452 267 F N -1.230 118.714 119.950 -0.011 0.000 2.693 267 F HA 0.314 4.857 4.527 0.027 0.000 0.303 267 F C 1.173 176.982 175.800 0.015 0.000 1.097 267 F CA -0.169 57.820 58.000 -0.017 0.000 1.330 267 F CB -0.118 38.809 39.000 -0.122 0.000 1.067 267 F HN -0.061 nan 8.300 nan 0.000 0.565 268 S N 1.099 116.850 115.700 0.085 0.000 2.423 268 S HA 0.217 4.703 4.470 0.027 0.000 0.317 268 S C 0.601 175.190 174.600 -0.018 0.000 1.065 268 S CA -0.721 57.466 58.200 -0.022 0.000 1.111 268 S CB -0.232 62.937 63.200 -0.052 0.000 0.968 268 S HN 0.320 nan 8.310 nan 0.000 0.474 269 F N 3.439 123.493 119.950 0.172 0.000 2.795 269 F HA 0.456 4.999 4.527 0.027 0.000 0.303 269 F C 0.864 176.697 175.800 0.054 0.000 1.186 269 F CA -0.404 57.647 58.000 0.085 0.000 1.415 269 F CB -0.396 38.646 39.000 0.069 0.000 1.106 269 F HN 0.396 nan 8.300 nan 0.000 0.558 270 N N -0.083 118.542 118.700 -0.126 0.000 2.200 270 N HA 0.069 4.825 4.740 0.027 0.000 0.224 270 N C -0.273 175.223 175.510 -0.025 0.000 1.179 270 N CA 0.177 53.201 53.050 -0.042 0.000 0.877 270 N CB 0.785 39.205 38.487 -0.112 0.000 1.072 270 N HN 0.268 nan 8.380 nan 0.000 0.519 271 S N 0.387 116.081 115.700 -0.011 0.000 2.513 271 S HA 0.487 4.973 4.470 0.027 0.000 0.299 271 S C -1.958 172.612 174.600 -0.049 0.000 1.087 271 S CA -1.658 56.548 58.200 0.010 0.000 1.012 271 S CB 1.822 65.090 63.200 0.112 0.000 1.044 271 S HN -0.215 nan 8.310 nan 0.000 0.485 272 P HA -0.091 nan 4.420 nan 0.000 0.217 272 P C 0.393 177.536 177.300 -0.262 0.000 1.148 272 P CA 1.364 64.286 63.100 -0.297 0.000 0.828 272 P CB -0.102 31.316 31.700 -0.469 0.000 0.783 273 Y N -1.211 119.047 120.300 -0.070 0.000 2.352 273 Y HA 0.032 4.598 4.550 0.027 0.000 0.292 273 Y C 2.622 178.470 175.900 -0.087 0.000 1.136 273 Y CA 1.543 59.597 58.100 -0.077 0.000 1.227 273 Y CB -1.188 37.224 38.460 -0.081 0.000 0.991 273 Y HN -0.021 nan 8.280 nan 0.000 0.545 274 G N -0.791 108.053 108.800 0.072 0.000 2.720 274 G HA2 0.311 4.287 3.960 0.027 0.000 0.204 274 G HA3 0.311 4.287 3.960 0.027 0.000 0.204 274 G C 0.713 175.651 174.900 0.063 0.000 1.113 274 G CA 0.323 45.446 45.100 0.038 0.000 0.805 274 G HN 0.364 nan 8.290 nan 0.000 0.536 275 A N -0.146 122.708 122.820 0.057 0.000 2.448 275 A HA 0.400 4.736 4.320 0.027 0.000 0.239 275 A C 0.712 178.315 177.584 0.033 0.000 1.080 275 A CA -0.014 52.074 52.037 0.084 0.000 0.779 275 A CB 0.005 19.038 19.000 0.055 0.000 1.026 275 A HN 0.672 nan 8.150 nan 0.000 0.499 276 C N 2.967 122.290 119.300 0.039 0.000 2.637 276 C HA 0.403 4.879 4.460 0.027 0.000 0.418 276 C C -0.767 174.239 174.990 0.025 0.000 1.319 276 C CA -1.267 57.760 59.018 0.014 0.000 1.949 276 C CB -0.152 27.583 27.740 -0.008 0.000 2.639 276 C HN 0.734 nan 8.230 nan 0.000 0.594 277 P HA -0.139 nan 4.420 nan 0.000 0.215 277 P C 0.808 178.170 177.300 0.103 0.000 1.157 277 P CA 1.752 64.870 63.100 0.029 0.000 0.874 277 P CB -0.105 31.602 31.700 0.011 0.000 0.790 278 N N -1.233 117.501 118.700 0.056 0.000 2.320 278 N HA 0.030 4.786 4.740 0.027 0.000 0.237 278 N C 0.538 176.027 175.510 -0.035 0.000 1.129 278 N CA 0.072 53.140 53.050 0.029 0.000 0.854 278 N CB -0.685 37.806 38.487 0.006 0.000 1.083 278 N HN 0.280 nan 8.380 nan 0.000 0.504 279 C N -2.829 116.462 119.300 -0.016 0.000 4.343 279 C HA 0.366 4.842 4.460 0.027 0.000 0.364 279 C C 0.564 175.498 174.990 -0.093 0.000 1.825 279 C CA -0.299 58.623 59.018 -0.159 0.000 1.833 279 C CB -1.288 26.339 27.740 -0.187 0.000 3.065 279 C HN 0.565 nan 8.230 nan 0.000 0.632 280 H N 1.186 120.180 119.070 -0.126 0.000 2.820 280 H HA -0.156 4.416 4.556 0.027 0.000 0.295 280 H C 1.565 176.860 175.328 -0.056 0.000 1.187 280 H CA 0.881 56.877 56.048 -0.086 0.000 1.144 280 H CB -1.495 28.212 29.762 -0.092 0.000 1.354 280 H HN 1.455 nan 8.280 nan 0.000 0.395 281 G N -0.104 108.729 108.800 0.054 0.000 2.153 281 G HA2 -0.341 3.635 3.960 0.027 0.000 0.252 281 G HA3 -0.341 3.635 3.960 0.027 0.000 0.252 281 G C 0.922 175.783 174.900 -0.066 0.000 0.994 281 G CA 0.568 45.713 45.100 0.076 0.000 0.698 281 G HN 0.491 nan 8.290 nan 0.000 0.521 282 L N -0.896 120.190 121.223 -0.229 0.000 2.307 282 L HA 0.379 4.735 4.340 0.027 0.000 0.211 282 L C 2.515 179.102 176.870 -0.473 0.000 1.099 282 L CA 1.256 55.831 54.840 -0.441 0.000 0.816 282 L CB -0.098 41.455 42.059 -0.843 0.000 0.952 282 L HN 0.969 nan 8.230 nan 0.000 0.455 283 G N 0.387 108.962 108.800 -0.375 0.000 2.279 283 G HA2 -0.298 3.678 3.960 0.027 0.000 0.223 283 G HA3 -0.298 3.678 3.960 0.027 0.000 0.223 283 G C 0.222 175.063 174.900 -0.099 0.000 1.015 283 G CA 0.197 45.179 45.100 -0.197 0.000 0.621 283 G HN 0.281 nan 8.290 nan 0.000 0.506 284 F N 1.101 120.975 119.950 -0.127 0.000 2.618 284 F HA 0.908 5.451 4.527 0.027 0.000 0.332 284 F C 0.315 175.993 175.800 -0.203 0.000 1.061 284 F CA -0.446 57.476 58.000 -0.129 0.000 0.974 284 F CB 1.097 40.033 39.000 -0.107 0.000 1.310 284 F HN 0.387 nan 8.300 nan 0.000 0.491 285 T N -2.324 112.288 114.554 0.098 0.000 2.804 285 T HA 0.574 4.940 4.350 0.027 0.000 0.272 285 T C -1.053 173.722 174.700 0.124 0.000 0.986 285 T CA -0.733 61.349 62.100 -0.030 0.000 0.999 285 T CB 1.310 70.186 68.868 0.013 0.000 1.307 285 T HN 0.569 nan 8.240 nan 0.000 0.586 286 F N 1.121 121.193 119.950 0.203 0.000 2.310 286 F HA 0.361 4.904 4.527 0.027 0.000 0.365 286 F C 0.453 176.300 175.800 0.077 0.000 1.080 286 F CA -0.945 57.147 58.000 0.153 0.000 1.187 286 F CB 0.782 39.913 39.000 0.217 0.000 1.465 286 F HN 0.494 nan 8.300 nan 0.000 0.496 287 E N 2.324 122.667 120.200 0.239 0.000 2.146 287 E HA 0.239 4.605 4.350 0.027 0.000 0.282 287 E C -0.315 176.323 176.600 0.062 0.000 0.989 287 E CA -0.676 55.803 56.400 0.131 0.000 0.799 287 E CB 2.247 32.009 29.700 0.103 0.000 1.088 287 E HN 0.200 nan 8.360 nan 0.000 0.397 288 V N 3.320 123.252 119.914 0.030 0.000 2.720 288 V HA -0.124 4.012 4.120 0.027 0.000 0.307 288 V C 0.202 176.291 176.094 -0.008 0.000 1.071 288 V CA 0.819 63.112 62.300 -0.012 0.000 1.199 288 V CB 0.558 32.365 31.823 -0.027 0.000 0.900 288 V HN 0.695 nan 8.190 nan 0.000 0.494 289 D N 5.736 126.125 120.400 -0.018 0.000 2.375 289 D HA 0.401 5.057 4.640 0.027 0.000 0.247 289 D C -2.304 173.972 176.300 -0.040 0.000 1.061 289 D CA -2.374 51.615 54.000 -0.018 0.000 0.834 289 D CB 2.171 42.961 40.800 -0.017 0.000 1.247 289 D HN 0.208 nan 8.370 nan 0.000 0.489 290 P HA 0.016 nan 4.420 nan 0.000 0.311 290 P C -0.154 177.108 177.300 -0.064 0.000 1.543 290 P CA 0.470 63.524 63.100 -0.077 0.000 0.766 290 P CB -0.521 31.149 31.700 -0.049 0.000 1.711 291 S N -3.316 112.359 115.700 -0.042 0.000 2.552 291 S HA 0.226 4.712 4.470 0.027 0.000 0.246 291 S C 1.387 175.984 174.600 -0.005 0.000 1.019 291 S CA -0.128 58.062 58.200 -0.017 0.000 1.045 291 S CB -0.956 62.246 63.200 0.004 0.000 0.784 291 S HN 0.151 nan 8.310 nan 0.000 0.453 292 L N -0.914 120.238 121.223 -0.118 0.000 2.616 292 L HA 0.863 5.219 4.340 0.027 0.000 0.229 292 L C 0.920 177.617 176.870 -0.288 0.000 1.110 292 L CA 0.687 55.351 54.840 -0.293 0.000 0.884 292 L CB -1.295 40.506 42.059 -0.430 0.000 1.115 292 L HN 0.619 nan 8.230 nan 0.000 0.481 305 I N 2.735 123.219 120.570 -0.142 0.000 2.372 305 I HA 0.189 4.375 4.170 0.027 0.000 0.298 305 I C 2.054 178.029 176.117 -0.236 0.000 1.137 305 I CA 0.405 61.526 61.300 -0.298 0.000 1.314 305 I CB 0.862 38.556 38.000 -0.511 0.000 1.444 305 I HN 0.567 nan 8.210 nan 0.000 0.541 306 I N 7.693 128.129 120.570 -0.224 0.000 2.248 306 I HA -0.113 4.073 4.170 0.027 0.000 0.248 306 I C -0.376 175.685 176.117 -0.093 0.000 1.107 306 I CA 1.877 63.118 61.300 -0.098 0.000 1.373 306 I CB -2.089 35.887 38.000 -0.040 0.000 1.055 306 I HN 0.508 nan 8.210 nan 0.000 0.418 307 P HA 0.044 nan 4.420 nan 0.000 0.257 307 P C 0.461 178.090 177.300 0.548 0.000 1.325 307 P CA 0.812 63.678 63.100 -0.391 0.000 0.850 307 P CB -0.461 30.493 31.700 -1.245 0.000 1.324 308 Y N -0.079 120.311 120.300 0.151 0.000 2.481 308 Y HA 0.273 4.839 4.550 0.027 0.000 0.247 308 Y C 1.839 177.758 175.900 0.031 0.000 1.151 308 Y CA -0.584 57.581 58.100 0.109 0.000 1.238 308 Y CB 0.608 39.041 38.460 -0.045 0.000 1.179 308 Y HN -0.164 nan 8.280 nan 0.000 0.524 309 R N 1.027 121.746 120.500 0.365 0.000 2.346 309 R HA -0.043 4.313 4.340 0.027 0.000 0.225 309 R C 0.578 177.022 176.300 0.240 0.000 0.987 309 R CA 0.297 56.539 56.100 0.237 0.000 1.106 309 R CB -0.348 30.103 30.300 0.251 0.000 1.090 309 R HN 0.527 nan 8.270 nan 0.000 0.502 310 W N -0.366 120.999 121.300 0.108 0.000 3.123 310 W HA 0.349 5.025 4.660 0.027 0.000 0.383 310 W C -0.692 175.790 176.519 -0.062 0.000 1.102 310 W CA -0.347 56.983 57.345 -0.025 0.000 1.865 310 W CB 0.299 29.681 29.460 -0.131 0.000 1.111 310 W HN -0.187 nan 8.180 nan 0.000 0.621 311 D N 1.518 121.654 120.400 -0.439 0.000 2.300 311 D HA 0.091 4.747 4.640 0.027 0.000 0.218 311 D C 0.773 176.811 176.300 -0.437 0.000 1.326 311 D CA -0.190 53.502 54.000 -0.514 0.000 0.942 311 D CB 1.159 41.427 40.800 -0.887 0.000 1.495 311 D HN -0.141 nan 8.370 nan 0.000 0.545 312 R N 2.081 122.406 120.500 -0.293 0.000 2.127 312 R HA -0.123 4.233 4.340 0.027 0.000 0.238 312 R C 2.441 178.500 176.300 -0.402 0.000 1.134 312 R CA 2.449 58.396 56.100 -0.254 0.000 0.975 312 R CB 0.079 30.283 30.300 -0.161 0.000 0.865 312 R HN 0.425 nan 8.270 nan 0.000 0.447 313 R N 0.682 120.854 120.500 -0.546 0.000 2.159 313 R HA -0.103 4.253 4.340 0.027 0.000 0.237 313 R C 2.191 177.525 176.300 -1.609 0.000 1.131 313 R CA 1.821 57.387 56.100 -0.889 0.000 0.982 313 R CB -1.391 28.465 30.300 -0.741 0.000 0.868 313 R HN 0.336 nan 8.270 nan 0.000 0.453 314 L N 0.135 120.609 121.223 -1.248 0.000 1.961 314 L HA -0.176 4.180 4.340 0.027 0.000 0.210 314 L C 2.825 179.454 176.870 -0.401 0.000 1.072 314 L CA 1.996 56.268 54.840 -0.946 0.000 0.749 314 L CB -0.376 41.238 42.059 -0.742 0.000 0.889 314 L HN 0.403 nan 8.230 nan 0.000 0.432 315 S N -0.458 115.114 115.700 -0.214 0.000 2.402 315 S HA -0.278 4.208 4.470 0.027 0.000 0.233 315 S C 2.337 176.899 174.600 -0.062 0.000 1.030 315 S CA 1.728 59.910 58.200 -0.029 0.000 1.003 315 S CB -0.594 62.586 63.200 -0.033 0.000 0.813 315 S HN 0.559 nan 8.310 nan 0.000 0.477 316 R N 0.554 120.940 120.500 -0.189 0.000 2.075 316 R HA 0.009 4.366 4.340 0.027 0.000 0.226 316 R C 1.843 178.179 176.300 0.060 0.000 1.114 316 R CA 1.447 57.490 56.100 -0.096 0.000 0.972 316 R CB -1.679 28.532 30.300 -0.147 0.000 0.869 316 R HN 0.563 nan 8.270 nan 0.000 0.437 317 W N 0.022 121.330 121.300 0.014 0.000 2.338 317 W HA -0.097 4.579 4.660 0.027 0.000 0.304 317 W C 2.116 178.664 176.519 0.049 0.000 1.212 317 W CA 0.947 58.304 57.345 0.021 0.000 1.264 317 W CB -1.306 28.156 29.460 0.002 0.000 1.142 317 W HN 0.230 nan 8.180 nan 0.000 0.512 318 V N 0.956 121.040 119.914 0.284 0.000 2.591 318 V HA -0.037 4.099 4.120 0.027 0.000 0.249 318 V C 2.202 178.395 176.094 0.166 0.000 1.053 318 V CA 2.106 64.536 62.300 0.217 0.000 1.068 318 V CB -0.635 31.300 31.823 0.187 0.000 0.689 318 V HN -0.003 nan 8.190 nan 0.000 0.462 319 A N 0.107 123.000 122.820 0.122 0.000 1.972 319 A HA -0.161 4.175 4.320 0.027 0.000 0.219 319 A C 2.168 179.807 177.584 0.093 0.000 1.169 319 A CA 1.753 53.842 52.037 0.086 0.000 0.635 319 A CB -0.524 18.506 19.000 0.051 0.000 0.810 319 A HN 0.515 nan 8.150 nan 0.000 0.446 320 R N -0.605 119.966 120.500 0.119 0.000 2.153 320 R HA 0.033 4.389 4.340 0.027 0.000 0.218 320 R C 1.884 178.245 176.300 0.100 0.000 1.072 320 R CA 1.367 57.531 56.100 0.106 0.000 0.990 320 R CB -0.280 30.097 30.300 0.128 0.000 0.889 320 R HN 0.625 nan 8.270 nan 0.000 0.452 321 E N -0.107 120.174 120.200 0.135 0.000 2.318 321 E HA 0.085 4.451 4.350 0.027 0.000 0.193 321 E C 1.516 178.180 176.600 0.107 0.000 0.998 321 E CA 0.596 57.076 56.400 0.135 0.000 0.859 321 E CB -0.013 29.822 29.700 0.225 0.000 0.812 321 E HN 0.248 nan 8.360 nan 0.000 0.492 322 I N 0.886 121.529 120.570 0.123 0.000 2.202 322 I HA -0.180 4.006 4.170 0.027 0.000 0.242 322 I C 2.415 178.553 176.117 0.035 0.000 1.091 322 I CA 1.552 62.902 61.300 0.084 0.000 1.368 322 I CB -0.421 37.633 38.000 0.090 0.000 1.058 322 I HN 0.294 nan 8.210 nan 0.000 0.410 323 E N 1.313 121.537 120.200 0.040 0.000 2.515 323 E HA -0.137 4.229 4.350 0.027 0.000 0.201 323 E C 1.961 178.567 176.600 0.011 0.000 1.071 323 E CA 1.303 57.717 56.400 0.023 0.000 0.880 323 E CB -0.940 28.777 29.700 0.029 0.000 0.828 323 E HN 0.635 nan 8.360 nan 0.000 0.540 324 K N 0.135 120.539 120.400 0.006 0.000 2.353 324 K HA 0.300 4.636 4.320 0.027 0.000 0.195 324 K C 2.072 178.645 176.600 -0.045 0.000 1.031 324 K CA 0.556 56.836 56.287 -0.012 0.000 1.079 324 K CB 0.070 32.568 32.500 -0.003 0.000 0.857 324 K HN 0.315 nan 8.250 nan 0.000 0.535 325 R N -1.185 119.279 120.500 -0.059 0.000 2.308 325 R HA 0.259 4.615 4.340 0.027 0.000 0.202 325 R C 0.622 176.894 176.300 -0.048 0.000 0.898 325 R CA 0.788 56.838 56.100 -0.083 0.000 1.046 325 R CB 1.044 31.261 30.300 -0.139 0.000 1.026 325 R HN 0.518 nan 8.270 nan 0.000 0.512 326 G N 0.254 109.038 108.800 -0.027 0.000 2.427 326 G HA2 -0.128 3.848 3.960 0.027 0.000 0.193 326 G HA3 -0.128 3.848 3.960 0.027 0.000 0.193 326 G C -0.689 174.206 174.900 -0.008 0.000 1.086 326 G CA -0.368 44.722 45.100 -0.016 0.000 0.818 326 G HN 0.072 nan 8.290 nan 0.000 0.490 327 V N -0.164 119.749 119.914 -0.001 0.000 3.087 327 V HA 0.932 5.068 4.120 0.027 0.000 0.306 327 V C 0.279 176.380 176.094 0.011 0.000 1.187 327 V CA -0.080 62.223 62.300 0.005 0.000 0.999 327 V CB 2.246 34.073 31.823 0.008 0.000 1.049 327 V HN 1.358 nan 8.190 nan 0.000 0.431 328 S N 2.362 118.068 115.700 0.010 0.000 2.720 328 S HA 0.878 5.364 4.470 0.027 0.000 0.287 328 S C -2.798 171.807 174.600 0.008 0.000 1.168 328 S CA -0.967 57.240 58.200 0.011 0.000 0.832 328 S CB 1.619 64.824 63.200 0.008 0.000 1.166 328 S HN 0.723 nan 8.310 nan 0.000 0.493 338 E N -0.230 119.973 120.200 0.006 0.000 2.288 338 E HA 0.688 5.054 4.350 0.027 0.000 0.268 338 E C -0.073 176.535 176.600 0.013 0.000 0.885 338 E CA -0.181 56.223 56.400 0.008 0.000 0.767 338 E CB 0.777 30.481 29.700 0.006 0.000 1.220 338 E HN 0.760 nan 8.360 nan 0.000 0.427 339 D N -0.618 119.789 120.400 0.012 0.000 2.515 339 D HA 0.358 5.014 4.640 0.027 0.000 0.232 339 D C 1.034 177.350 176.300 0.026 0.000 1.157 339 D CA 0.999 55.009 54.000 0.017 0.000 0.871 339 D CB 0.910 41.718 40.800 0.012 0.000 1.200 339 D HN 1.742 nan 8.370 nan 0.000 0.466 340 V N -0.137 119.801 119.914 0.040 0.000 5.040 340 V HA -0.221 3.915 4.120 0.027 0.000 0.286 340 V C 2.009 178.163 176.094 0.101 0.000 0.402 340 V CA 1.222 63.560 62.300 0.064 0.000 0.803 340 V CB -1.820 30.029 31.823 0.044 0.000 0.712 340 V HN 0.959 nan 8.190 nan 0.000 1.421 341 K N 0.202 120.648 120.400 0.076 0.000 2.362 341 K HA -0.244 4.092 4.320 0.027 0.000 0.202 341 K C 1.495 178.151 176.600 0.093 0.000 1.045 341 K CA 1.788 58.115 56.287 0.066 0.000 0.936 341 K CB 0.070 32.584 32.500 0.024 0.000 0.747 341 K HN 0.750 nan 8.250 nan 0.000 0.467 342 E N 0.946 121.240 120.200 0.157 0.000 2.209 342 E HA -0.193 4.173 4.350 0.027 0.000 0.196 342 E C 1.566 178.364 176.600 0.331 0.000 0.993 342 E CA 0.855 57.422 56.400 0.278 0.000 0.819 342 E CB -0.197 29.640 29.700 0.228 0.000 0.745 342 E HN 0.380 nan 8.360 nan 0.000 0.477 343 F N 0.595 120.606 119.950 0.102 0.000 2.098 343 F HA -0.072 4.471 4.527 0.027 0.000 0.294 343 F C 2.417 178.225 175.800 0.014 0.000 1.107 343 F CA 1.850 59.896 58.000 0.077 0.000 1.234 343 F CB -0.810 38.217 39.000 0.046 0.000 1.002 343 F HN 0.124 nan 8.300 nan 0.000 0.472 344 I N 0.937 121.480 120.570 -0.046 0.000 2.236 344 I HA -0.196 3.990 4.170 0.027 0.000 0.249 344 I C 2.594 178.491 176.117 -0.366 0.000 1.102 344 I CA 2.767 63.940 61.300 -0.213 0.000 1.365 344 I CB -2.259 35.687 38.000 -0.090 0.000 1.051 344 I HN 0.441 nan 8.210 nan 0.000 0.420 345 L N -2.562 118.424 121.223 -0.396 0.000 2.446 345 L HA 0.246 4.602 4.340 0.027 0.000 0.219 345 L C 2.223 178.481 176.870 -1.020 0.000 1.116 345 L CA 1.933 56.321 54.840 -0.753 0.000 0.844 345 L CB -1.331 40.171 42.059 -0.929 0.000 0.970 345 L HN 0.721 nan 8.230 nan 0.000 0.457 346 Y N -1.511 118.671 120.300 -0.197 0.000 2.713 346 Y HA 0.533 5.099 4.550 0.027 0.000 0.265 346 Y C 1.360 177.136 175.900 -0.206 0.000 1.177 346 Y CA -0.214 57.794 58.100 -0.153 0.000 1.144 346 Y CB 0.259 38.674 38.460 -0.074 0.000 1.360 346 Y HN 0.479 nan 8.280 nan 0.000 0.491 347 G N 0.445 109.135 108.800 -0.184 0.000 2.447 347 G HA2 0.242 4.218 3.960 0.027 0.000 0.220 347 G HA3 0.242 4.218 3.960 0.027 0.000 0.220 347 G C -1.114 173.896 174.900 0.184 0.000 1.261 347 G CA -0.294 44.600 45.100 -0.344 0.000 1.000 347 G HN 0.520 nan 8.290 nan 0.000 0.515 352 E N 1.869 122.043 120.200 -0.043 0.000 2.115 352 E HA 0.509 4.875 4.350 0.027 0.000 0.282 352 E C 0.498 177.015 176.600 -0.138 0.000 0.987 352 E CA -0.050 56.313 56.400 -0.061 0.000 0.797 352 E CB 1.418 31.111 29.700 -0.011 0.000 1.086 352 E HN 0.842 nan 8.360 nan 0.000 0.397 353 G N 2.155 110.853 108.800 -0.170 0.000 2.636 353 G HA2 0.046 4.022 3.960 0.027 0.000 0.246 353 G HA3 0.046 4.022 3.960 0.027 0.000 0.246 353 G C 1.067 175.836 174.900 -0.219 0.000 1.216 353 G CA -0.537 44.410 45.100 -0.257 0.000 0.854 353 G HN 0.493 nan 8.290 nan 0.000 0.572 354 V N 1.296 121.029 119.914 -0.303 0.000 2.392 354 V HA -0.188 3.948 4.120 0.027 0.000 0.249 354 V C 2.915 178.806 176.094 -0.338 0.000 1.059 354 V CA 1.673 63.771 62.300 -0.338 0.000 1.051 354 V CB -0.680 30.810 31.823 -0.554 0.000 0.658 354 V HN 0.486 nan 8.190 nan 0.000 0.455 355 V N 0.171 119.877 119.914 -0.347 0.000 2.244 355 V HA -0.111 4.025 4.120 0.027 0.000 0.244 355 V C 0.124 176.125 176.094 -0.155 0.000 1.042 355 V CA 2.406 64.552 62.300 -0.255 0.000 1.006 355 V CB -1.788 29.891 31.823 -0.240 0.000 0.641 355 V HN 0.512 nan 8.190 nan 0.000 0.446 356 P HA -0.147 nan 4.420 nan 0.000 0.220 356 P C 1.567 178.812 177.300 -0.091 0.000 1.148 356 P CA 1.364 64.439 63.100 -0.043 0.000 0.803 356 P CB 0.013 31.712 31.700 -0.002 0.000 0.782 357 K N 0.093 120.382 120.400 -0.185 0.000 2.007 357 K HA -0.067 4.269 4.320 0.027 0.000 0.206 357 K C 1.726 177.920 176.600 -0.678 0.000 1.047 357 K CA 1.254 57.342 56.287 -0.331 0.000 0.937 357 K CB -0.530 31.778 32.500 -0.319 0.000 0.718 357 K HN -0.117 nan 8.250 nan 0.000 0.438 358 V N 1.565 121.099 119.914 -0.634 0.000 2.720 358 V HA -0.189 3.947 4.120 0.027 0.000 0.256 358 V C 2.341 178.388 176.094 -0.079 0.000 1.082 358 V CA 1.774 63.784 62.300 -0.483 0.000 1.101 358 V CB -0.413 31.221 31.823 -0.315 0.000 0.693 358 V HN 0.439 nan 8.190 nan 0.000 0.479 359 Q N 0.712 120.476 119.800 -0.059 0.000 2.187 359 Q HA -0.129 4.227 4.340 0.027 0.000 0.199 359 Q C 2.282 178.383 176.000 0.168 0.000 0.957 359 Q CA 1.585 57.438 55.803 0.084 0.000 0.857 359 Q CB -0.301 28.471 28.738 0.055 0.000 0.929 359 Q HN 0.618 nan 8.270 nan 0.000 0.453 360 R N -1.261 119.307 120.500 0.114 0.000 2.090 360 R HA -0.120 4.236 4.340 0.027 0.000 0.228 360 R C 1.220 177.747 176.300 0.379 0.000 1.110 360 R CA 1.370 57.592 56.100 0.203 0.000 0.973 360 R CB -0.370 30.037 30.300 0.177 0.000 0.869 360 R HN 0.302 nan 8.270 nan 0.000 0.440 361 W N 0.418 121.829 121.300 0.185 0.000 2.392 361 W HA -0.119 4.557 4.660 0.027 0.000 0.279 361 W C 2.102 178.754 176.519 0.222 0.000 1.225 361 W CA 1.048 58.517 57.345 0.207 0.000 1.233 361 W CB -1.021 28.596 29.460 0.261 0.000 1.122 361 W HN 0.358 nan 8.180 nan 0.000 0.561 362 H N 0.019 119.284 119.070 0.325 0.000 2.372 362 H HA -0.002 4.570 4.556 0.027 0.000 0.301 362 H C 2.153 177.584 175.328 0.172 0.000 1.065 362 H CA 2.159 58.337 56.048 0.216 0.000 1.364 362 H CB 0.056 29.923 29.762 0.175 0.000 1.406 362 H HN -0.020 nan 8.280 nan 0.000 0.521 363 R N -0.096 120.468 120.500 0.107 0.000 2.056 363 R HA 0.011 4.367 4.340 0.027 0.000 0.227 363 R C 2.347 178.681 176.300 0.056 0.000 1.149 363 R CA 1.533 57.642 56.100 0.016 0.000 0.937 363 R CB -0.478 29.860 30.300 0.064 0.000 0.835 363 R HN 0.488 nan 8.270 nan 0.000 0.430 364 E N 1.736 122.011 120.200 0.124 0.000 2.382 364 E HA 0.034 4.400 4.350 0.027 0.000 0.190 364 E C 0.450 177.111 176.600 0.102 0.000 1.125 364 E CA 0.536 57.004 56.400 0.112 0.000 0.929 364 E CB -1.461 28.325 29.700 0.142 0.000 1.053 364 E HN 0.502 nan 8.360 nan 0.000 0.475 370 M N 0.188 119.749 119.600 -0.065 0.000 2.551 370 M HA 0.501 4.997 4.480 0.027 0.000 0.252 370 M C 1.476 177.838 176.300 0.103 0.000 1.219 370 M CA 0.674 55.957 55.300 -0.029 0.000 0.978 370 M CB 0.671 33.179 32.600 -0.153 0.000 1.533 370 M HN 0.101 nan 8.290 nan 0.000 0.474 371 K N 1.910 122.365 120.400 0.093 0.000 2.063 371 K HA -0.164 4.172 4.320 0.027 0.000 0.208 371 K C 2.141 178.804 176.600 0.104 0.000 1.048 371 K CA 2.637 59.010 56.287 0.143 0.000 0.928 371 K CB -0.354 32.221 32.500 0.125 0.000 0.713 371 K HN 0.592 nan 8.250 nan 0.000 0.442 372 E N 0.168 120.411 120.200 0.072 0.000 2.058 372 E HA -0.223 4.143 4.350 0.027 0.000 0.194 372 E C 1.663 178.285 176.600 0.035 0.000 0.997 372 E CA 1.594 58.012 56.400 0.031 0.000 0.801 372 E CB -1.393 28.326 29.700 0.033 0.000 0.746 372 E HN 0.612 nan 8.360 nan 0.000 0.450 373 W N 0.611 121.843 121.300 -0.112 0.000 2.301 373 W HA -0.190 4.486 4.660 0.027 0.000 0.325 373 W C 1.916 178.303 176.519 -0.221 0.000 1.250 373 W CA 2.394 59.649 57.345 -0.151 0.000 1.261 373 W CB -0.691 28.696 29.460 -0.123 0.000 1.157 373 W HN 0.282 nan 8.180 nan 0.000 0.473 374 L N 0.915 122.041 121.223 -0.161 0.000 2.465 374 L HA -0.099 4.257 4.340 0.027 0.000 0.224 374 L C 2.327 178.952 176.870 -0.409 0.000 1.145 374 L CA 1.469 56.096 54.840 -0.355 0.000 0.834 374 L CB -1.045 41.022 42.059 0.014 0.000 0.944 374 L HN 0.033 nan 8.230 nan 0.000 0.451 375 E N 0.292 120.277 120.200 -0.359 0.000 2.046 375 E HA -0.174 4.192 4.350 0.027 0.000 0.190 375 E C 2.477 178.843 176.600 -0.390 0.000 0.982 375 E CA 1.433 57.565 56.400 -0.448 0.000 0.800 375 E CB -0.226 29.227 29.700 -0.411 0.000 0.756 375 E HN 0.543 nan 8.360 nan 0.000 0.449 376 K N 2.093 122.289 120.400 -0.340 0.000 2.057 376 K HA -0.114 4.222 4.320 0.027 0.000 0.206 376 K C 1.701 178.064 176.600 -0.395 0.000 1.050 376 K CA 1.576 57.682 56.287 -0.302 0.000 0.935 376 K CB -0.694 31.670 32.500 -0.226 0.000 0.715 376 K HN 0.058 nan 8.250 nan 0.000 0.439 377 N N -0.948 117.358 118.700 -0.657 0.000 2.240 377 N HA 0.074 4.830 4.740 0.027 0.000 0.187 377 N C 1.324 176.428 175.510 -0.676 0.000 1.042 377 N CA 1.460 53.973 53.050 -0.894 0.000 0.861 377 N CB 0.040 37.479 38.487 -1.746 0.000 1.026 377 N HN 0.394 nan 8.380 nan 0.000 0.441 378 F N 0.694 120.446 119.950 -0.330 0.000 2.695 378 F HA 0.452 4.995 4.527 0.027 0.000 0.303 378 F C 0.621 176.290 175.800 -0.218 0.000 1.091 378 F CA -0.383 57.460 58.000 -0.261 0.000 1.300 378 F CB 0.110 38.943 39.000 -0.278 0.000 1.071 378 F HN -0.168 nan 8.300 nan 0.000 0.578 379 I N 0.388 120.870 120.570 -0.147 0.000 2.441 379 I HA 0.370 4.556 4.170 0.027 0.000 0.295 379 I C -0.806 175.238 176.117 -0.122 0.000 0.994 379 I CA -1.063 60.144 61.300 -0.154 0.000 1.144 379 I CB 2.383 40.201 38.000 -0.303 0.000 1.314 379 I HN -0.335 nan 8.210 nan 0.000 0.445 380 V N 7.154 127.040 119.914 -0.046 0.000 2.417 380 V HA 0.327 4.463 4.120 0.027 0.000 0.291 380 V C -0.250 175.880 176.094 0.060 0.000 1.024 380 V CA -0.445 61.844 62.300 -0.019 0.000 0.861 380 V CB 1.832 33.646 31.823 -0.014 0.000 0.985 380 V HN 0.855 nan 8.190 nan 0.000 0.436 381 Q N 5.828 125.660 119.800 0.053 0.000 2.307 381 Q HA 0.443 4.799 4.340 0.027 0.000 0.261 381 Q C -0.417 175.599 176.000 0.026 0.000 1.051 381 Q CA -0.253 55.608 55.803 0.096 0.000 0.911 381 Q CB 0.791 29.405 28.738 -0.206 0.000 1.227 381 Q HN 0.614 nan 8.270 nan 0.000 0.418 382 R N 1.746 122.314 120.500 0.113 0.000 2.643 382 R HA 0.399 4.755 4.340 0.027 0.000 0.272 382 R C -0.377 175.998 176.300 0.125 0.000 0.995 382 R CA -0.436 55.715 56.100 0.086 0.000 1.032 382 R CB 1.397 31.742 30.300 0.075 0.000 1.126 382 R HN 0.664 nan 8.270 nan 0.000 0.505 383 T N 0.763 115.368 114.554 0.086 0.000 2.937 383 T HA -0.070 4.296 4.350 0.027 0.000 0.316 383 T C -0.009 174.723 174.700 0.054 0.000 1.079 383 T CA 0.010 62.158 62.100 0.080 0.000 1.131 383 T CB 0.168 69.059 68.868 0.038 0.000 1.000 383 T HN 0.609 nan 8.240 nan 0.000 0.549 384 C N 4.095 123.407 119.300 0.021 0.000 2.657 384 C HA 0.133 4.609 4.460 0.027 0.000 0.404 384 C C 2.080 177.061 174.990 -0.015 0.000 1.369 384 C CA -0.261 58.747 59.018 -0.017 0.000 1.665 384 C CB -1.479 26.221 27.740 -0.066 0.000 2.453 384 C HN 0.992 nan 8.230 nan 0.000 0.599 385 S N 3.884 119.582 115.700 -0.003 0.000 2.420 385 S HA -0.137 4.349 4.470 0.027 0.000 0.237 385 S C 1.521 176.114 174.600 -0.011 0.000 1.023 385 S CA 1.606 59.805 58.200 -0.002 0.000 0.991 385 S CB -0.227 62.977 63.200 0.007 0.000 0.792 385 S HN 0.820 nan 8.310 nan 0.000 0.488 386 V N 1.405 121.308 119.914 -0.018 0.000 2.490 386 V HA -0.067 4.069 4.120 0.027 0.000 0.238 386 V C 2.693 178.768 176.094 -0.032 0.000 1.056 386 V CA 1.301 63.589 62.300 -0.019 0.000 1.075 386 V CB -0.688 31.126 31.823 -0.015 0.000 0.746 386 V HN 0.794 nan 8.190 nan 0.000 0.479 387 C N 0.701 119.972 119.300 -0.048 0.000 2.481 387 C HA 0.444 4.920 4.460 0.027 0.000 0.275 387 C C 2.061 176.993 174.990 -0.096 0.000 1.419 387 C CA 0.019 58.995 59.018 -0.071 0.000 1.773 387 C CB -0.728 26.962 27.740 -0.082 0.000 1.862 387 C HN 1.028 nan 8.230 nan 0.000 0.530 388 G N 0.153 108.908 108.800 -0.075 0.000 2.159 388 G HA2 0.237 4.213 3.960 0.027 0.000 0.256 388 G HA3 0.237 4.213 3.960 0.027 0.000 0.256 388 G C 1.120 175.968 174.900 -0.086 0.000 0.977 388 G CA 0.733 45.789 45.100 -0.072 0.000 0.652 388 G HN 2.174 nan 8.290 nan 0.000 0.531 389 G N -1.057 107.682 108.800 -0.102 0.000 2.144 389 G HA2 -0.225 3.751 3.960 0.027 0.000 0.218 389 G HA3 -0.225 3.751 3.960 0.027 0.000 0.218 389 G C 0.866 175.649 174.900 -0.196 0.000 0.988 389 G CA 0.999 46.036 45.100 -0.104 0.000 0.659 389 G HN 0.995 nan 8.290 nan 0.000 0.522 390 R N -0.070 120.251 120.500 -0.298 0.000 2.297 390 R HA 0.305 4.661 4.340 0.027 0.000 0.197 390 R C 1.994 178.120 176.300 -0.290 0.000 0.943 390 R CA 0.504 56.267 56.100 -0.562 0.000 1.038 390 R CB 0.004 29.937 30.300 -0.612 0.000 0.957 390 R HN 0.483 nan 8.270 nan 0.000 0.484 391 R N -0.983 119.392 120.500 -0.209 0.000 3.471 391 R HA -0.195 4.161 4.340 0.027 0.000 0.317 391 R C -0.013 176.288 176.300 0.001 0.000 0.656 391 R CA 1.513 57.509 56.100 -0.173 0.000 1.624 391 R CB -1.737 28.280 30.300 -0.473 0.000 1.657 391 R HN 0.158 nan 8.270 nan 0.000 0.468 392 L N 3.185 124.432 121.223 0.041 0.000 2.399 392 L HA 0.199 4.555 4.340 0.027 0.000 0.266 392 L C 0.901 177.793 176.870 0.037 0.000 1.114 392 L CA -0.772 54.134 54.840 0.110 0.000 0.804 392 L CB 0.570 42.729 42.059 0.166 0.000 1.146 392 L HN 0.192 nan 8.230 nan 0.000 0.451 393 N N 1.386 120.107 118.700 0.035 0.000 2.235 393 N HA -0.053 4.703 4.740 0.027 0.000 0.231 393 N C 0.669 176.182 175.510 0.005 0.000 1.330 393 N CA -0.160 52.895 53.050 0.009 0.000 0.898 393 N CB 0.208 38.695 38.487 -0.000 0.000 1.151 393 N HN 0.545 nan 8.380 nan 0.000 0.472 394 R N -1.421 119.081 120.500 0.003 0.000 2.148 394 R HA 0.033 4.389 4.340 0.027 0.000 0.223 394 R C 1.130 177.439 176.300 0.016 0.000 1.088 394 R CA 1.137 57.241 56.100 0.008 0.000 0.985 394 R CB -0.378 29.927 30.300 0.009 0.000 0.880 394 R HN 0.540 nan 8.270 nan 0.000 0.451 395 E N 1.619 121.823 120.200 0.007 0.000 2.028 395 E HA 0.014 4.380 4.350 0.027 0.000 0.190 395 E C 2.210 178.811 176.600 0.002 0.000 0.984 395 E CA 1.524 57.928 56.400 0.007 0.000 0.800 395 E CB -0.385 29.308 29.700 -0.012 0.000 0.758 395 E HN 0.414 nan 8.360 nan 0.000 0.448 396 A N 0.859 123.656 122.820 -0.038 0.000 1.948 396 A HA -0.188 4.149 4.320 0.027 0.000 0.220 396 A C 2.083 179.720 177.584 0.089 0.000 1.177 396 A CA 1.288 53.295 52.037 -0.050 0.000 0.636 396 A CB -0.834 18.126 19.000 -0.068 0.000 0.815 396 A HN 0.230 nan 8.150 nan 0.000 0.449 397 L N -0.419 120.842 121.223 0.064 0.000 2.549 397 L HA -0.050 4.306 4.340 0.027 0.000 0.229 397 L C 2.006 178.911 176.870 0.058 0.000 1.158 397 L CA 0.791 55.668 54.840 0.062 0.000 0.842 397 L CB -0.124 41.950 42.059 0.025 0.000 0.952 397 L HN 0.281 nan 8.230 nan 0.000 0.452 398 S N -1.265 114.479 115.700 0.074 0.000 2.517 398 S HA 0.107 4.594 4.470 0.027 0.000 0.214 398 S C 0.673 175.337 174.600 0.105 0.000 0.991 398 S CA -0.252 57.990 58.200 0.069 0.000 0.906 398 S CB 0.461 63.719 63.200 0.096 0.000 0.789 398 S HN 0.023 nan 8.310 nan 0.000 0.513 399 V N 3.198 123.234 119.914 0.203 0.000 2.488 399 V HA 0.307 4.443 4.120 0.027 0.000 0.277 399 V C 0.035 176.313 176.094 0.307 0.000 1.046 399 V CA -0.059 62.434 62.300 0.321 0.000 0.986 399 V CB 0.693 32.851 31.823 0.558 0.000 0.989 399 V HN 0.193 nan 8.190 nan 0.000 0.475 400 K N 4.967 125.507 120.400 0.234 0.000 2.328 400 K HA 0.734 5.070 4.320 0.027 0.000 0.246 400 K C -1.188 175.531 176.600 0.197 0.000 0.955 400 K CA -0.792 55.623 56.287 0.213 0.000 0.817 400 K CB 2.828 35.302 32.500 -0.044 0.000 1.208 400 K HN 0.473 nan 8.250 nan 0.000 0.432 401 I N 2.680 123.361 120.570 0.183 0.000 2.439 401 I HA 0.125 4.311 4.170 0.027 0.000 0.285 401 I C -0.583 175.679 176.117 0.242 0.000 1.021 401 I CA -0.611 60.723 61.300 0.057 0.000 1.091 401 I CB 1.466 39.326 38.000 -0.234 0.000 1.242 401 I HN 0.682 nan 8.210 nan 0.000 0.439 402 N N 4.855 123.645 118.700 0.150 0.000 2.708 402 N HA -0.219 4.537 4.740 0.027 0.000 0.249 402 N C 0.772 176.430 175.510 0.247 0.000 1.097 402 N CA 1.547 54.688 53.050 0.152 0.000 0.710 402 N CB -0.850 37.648 38.487 0.020 0.000 1.032 402 N HN 1.123 nan 8.380 nan 0.000 0.551 403 G N -2.585 106.342 108.800 0.212 0.000 2.213 403 G HA2 -0.261 3.715 3.960 0.027 0.000 0.226 403 G HA3 -0.261 3.715 3.960 0.027 0.000 0.226 403 G C -0.148 174.844 174.900 0.154 0.000 0.992 403 G CA 0.147 45.348 45.100 0.167 0.000 0.632 403 G HN 0.350 nan 8.290 nan 0.000 0.511 404 L N 2.464 123.822 121.223 0.226 0.000 2.296 404 L HA 0.428 4.784 4.340 0.027 0.000 0.286 404 L C 0.375 177.389 176.870 0.240 0.000 1.023 404 L CA -1.160 53.788 54.840 0.180 0.000 0.812 404 L CB 1.281 43.399 42.059 0.098 0.000 1.223 404 L HN 0.422 nan 8.230 nan 0.000 0.421 405 N N 3.575 122.363 118.700 0.147 0.000 2.424 405 N HA 0.034 4.791 4.740 0.027 0.000 0.257 405 N C 0.898 176.392 175.510 -0.027 0.000 1.250 405 N CA -0.337 52.777 53.050 0.107 0.000 0.946 405 N CB 1.494 40.021 38.487 0.066 0.000 1.175 405 N HN 0.716 nan 8.380 nan 0.000 0.477 406 I N -0.071 120.218 120.570 -0.468 0.000 2.248 406 I HA -0.352 3.834 4.170 0.027 0.000 0.248 406 I C 2.152 178.263 176.117 -0.010 0.000 1.107 406 I CA 1.652 62.546 61.300 -0.677 0.000 1.373 406 I CB -0.236 37.203 38.000 -0.936 0.000 1.055 406 I HN 0.713 nan 8.210 nan 0.000 0.418 407 H N 0.827 119.901 119.070 0.007 0.000 2.276 407 H HA -0.200 4.372 4.556 0.027 0.000 0.301 407 H C 2.134 177.480 175.328 0.029 0.000 1.073 407 H CA 2.263 58.340 56.048 0.048 0.000 1.311 407 H CB -0.055 29.718 29.762 0.019 0.000 1.379 407 H HN 0.318 nan 8.280 nan 0.000 0.494 408 E N -0.531 119.786 120.200 0.196 0.000 2.136 408 E HA -0.290 4.076 4.350 0.027 0.000 0.208 408 E C 1.953 178.545 176.600 -0.013 0.000 1.035 408 E CA 1.547 58.004 56.400 0.094 0.000 0.838 408 E CB -0.333 29.415 29.700 0.081 0.000 0.748 408 E HN 0.489 nan 8.360 nan 0.000 0.459 409 F N 1.299 121.175 119.950 -0.123 0.000 2.134 409 F HA -0.189 4.354 4.527 0.027 0.000 0.299 409 F C 2.610 178.316 175.800 -0.158 0.000 1.097 409 F CA 1.865 59.746 58.000 -0.199 0.000 1.264 409 F CB -0.380 38.548 39.000 -0.120 0.000 1.001 409 F HN -0.015 nan 8.300 nan 0.000 0.479 410 T N -2.755 111.784 114.554 -0.025 0.000 3.113 410 T HA -0.084 4.282 4.350 0.027 0.000 0.263 410 T C 1.443 175.977 174.700 -0.275 0.000 1.143 410 T CA 1.262 63.280 62.100 -0.135 0.000 1.090 410 T CB -0.515 68.288 68.868 -0.108 0.000 0.922 410 T HN 0.491 nan 8.240 nan 0.000 0.521 411 E N 0.531 120.562 120.200 -0.282 0.000 2.230 411 E HA 0.201 4.567 4.350 0.027 0.000 0.192 411 E C 0.298 176.773 176.600 -0.208 0.000 0.987 411 E CA -0.098 56.174 56.400 -0.214 0.000 0.841 411 E CB -0.052 29.576 29.700 -0.121 0.000 0.783 411 E HN 0.565 nan 8.360 nan 0.000 0.481 412 L N 2.342 123.384 121.223 -0.302 0.000 2.485 412 L HA 0.006 4.362 4.340 0.027 0.000 0.275 412 L C 0.856 177.579 176.870 -0.244 0.000 1.207 412 L CA -0.470 54.199 54.840 -0.285 0.000 0.855 412 L CB 0.152 41.955 42.059 -0.427 0.000 1.114 412 L HN 0.047 nan 8.230 nan 0.000 0.485 413 S N 2.071 117.679 115.700 -0.152 0.000 2.566 413 S HA 0.004 4.490 4.470 0.027 0.000 0.280 413 S C 1.070 175.585 174.600 -0.142 0.000 1.343 413 S CA -0.256 57.874 58.200 -0.117 0.000 1.036 413 S CB 0.515 63.687 63.200 -0.046 0.000 0.866 413 S HN 0.612 nan 8.310 nan 0.000 0.526 414 I N 0.469 120.963 120.570 -0.126 0.000 2.657 414 I HA -0.108 4.078 4.170 0.027 0.000 0.261 414 I C 1.852 177.927 176.117 -0.071 0.000 1.212 414 I CA 1.789 63.024 61.300 -0.108 0.000 1.453 414 I CB -0.753 37.195 38.000 -0.086 0.000 1.092 414 I HN 0.757 nan 8.210 nan 0.000 0.452 415 S N 0.158 115.826 115.700 -0.052 0.000 2.439 415 S HA 0.036 4.522 4.470 0.027 0.000 0.224 415 S C 1.722 176.314 174.600 -0.014 0.000 1.029 415 S CA 0.473 58.661 58.200 -0.020 0.000 0.946 415 S CB -0.581 62.620 63.200 0.002 0.000 0.797 415 S HN 0.666 nan 8.310 nan 0.000 0.504 416 E N 1.763 121.938 120.200 -0.041 0.000 2.072 416 E HA -0.110 4.256 4.350 0.027 0.000 0.191 416 E C 2.070 178.646 176.600 -0.039 0.000 0.985 416 E CA 1.291 57.673 56.400 -0.030 0.000 0.801 416 E CB -0.212 29.449 29.700 -0.064 0.000 0.750 416 E HN 0.682 nan 8.360 nan 0.000 0.452 417 E N 0.997 121.081 120.200 -0.193 0.000 2.085 417 E HA -0.205 4.161 4.350 0.027 0.000 0.194 417 E C 2.199 178.886 176.600 0.144 0.000 0.994 417 E CA 0.750 56.964 56.400 -0.310 0.000 0.801 417 E CB -0.119 29.296 29.700 -0.474 0.000 0.743 417 E HN 0.234 nan 8.360 nan 0.000 0.453 418 L N 0.929 122.202 121.223 0.083 0.000 1.976 418 L HA -0.249 4.107 4.340 0.027 0.000 0.209 418 L C 2.696 179.641 176.870 0.124 0.000 1.071 418 L CA 1.910 56.812 54.840 0.103 0.000 0.746 418 L CB -0.346 41.734 42.059 0.035 0.000 0.890 418 L HN 0.188 nan 8.230 nan 0.000 0.432 419 E N -0.740 119.522 120.200 0.103 0.000 2.110 419 E HA -0.315 4.051 4.350 0.027 0.000 0.193 419 E C 2.106 178.787 176.600 0.135 0.000 0.988 419 E CA 1.566 58.021 56.400 0.091 0.000 0.804 419 E CB -0.805 28.936 29.700 0.068 0.000 0.745 419 E HN 0.414 nan 8.360 nan 0.000 0.458 420 F N 1.781 121.773 119.950 0.070 0.000 2.126 420 F HA -0.098 4.445 4.527 0.027 0.000 0.299 420 F C 1.895 177.772 175.800 0.127 0.000 1.096 420 F CA 1.484 59.558 58.000 0.123 0.000 1.255 420 F CB -0.005 39.126 39.000 0.217 0.000 0.997 420 F HN -0.032 nan 8.300 nan 0.000 0.479 421 L N -0.361 121.071 121.223 0.348 0.000 2.362 421 L HA -0.162 4.194 4.340 0.027 0.000 0.219 421 L C 1.967 178.844 176.870 0.011 0.000 1.134 421 L CA 1.145 56.084 54.840 0.164 0.000 0.807 421 L CB -0.487 41.681 42.059 0.183 0.000 0.927 421 L HN 0.182 nan 8.230 nan 0.000 0.447 422 K N -0.430 119.973 120.400 0.004 0.000 2.190 422 K HA 0.063 4.399 4.320 0.027 0.000 0.202 422 K C 1.401 177.961 176.600 -0.067 0.000 1.045 422 K CA 0.346 56.616 56.287 -0.028 0.000 0.976 422 K CB 0.153 32.650 32.500 -0.006 0.000 0.849 422 K HN 0.112 nan 8.250 nan 0.000 0.468 423 N N 1.288 119.937 118.700 -0.086 0.000 2.567 423 N HA -0.046 4.710 4.740 0.027 0.000 0.195 423 N C -0.489 174.908 175.510 -0.187 0.000 1.242 423 N CA 0.294 53.276 53.050 -0.113 0.000 0.884 423 N CB -0.093 38.337 38.487 -0.095 0.000 1.007 423 N HN 0.029 nan 8.380 nan 0.000 0.450 424 L N 1.746 122.841 121.223 -0.214 0.000 2.278 424 L HA 0.200 4.556 4.340 0.027 0.000 0.287 424 L C -0.457 176.323 176.870 -0.149 0.000 1.072 424 L CA -0.096 54.596 54.840 -0.246 0.000 0.819 424 L CB 0.313 42.219 42.059 -0.255 0.000 1.176 424 L HN -0.049 nan 8.230 nan 0.000 0.435 425 N N 5.739 124.360 118.700 -0.130 0.000 2.621 425 N HA 0.456 5.212 4.740 0.027 0.000 0.237 425 N C -0.376 175.085 175.510 -0.082 0.000 0.997 425 N CA -0.179 52.817 53.050 -0.090 0.000 0.918 425 N CB 1.402 39.846 38.487 -0.073 0.000 1.122 425 N HN 0.447 nan 8.380 nan 0.000 0.510 426 L N 0.499 121.675 121.223 -0.078 0.000 2.309 426 L HA 0.655 5.011 4.340 0.027 0.000 0.282 426 L C 1.350 178.186 176.870 -0.056 0.000 1.036 426 L CA -1.117 53.680 54.840 -0.071 0.000 0.806 426 L CB 0.471 42.482 42.059 -0.080 0.000 1.220 426 L HN 0.590 nan 8.230 nan 0.000 0.429 427 T N -0.569 113.956 114.554 -0.049 0.000 2.923 427 T HA -0.035 4.331 4.350 0.027 0.000 0.320 427 T C 1.049 175.724 174.700 -0.041 0.000 1.074 427 T CA 0.990 63.065 62.100 -0.041 0.000 1.131 427 T CB 0.255 69.100 68.868 -0.038 0.000 1.058 427 T HN 0.968 nan 8.240 nan 0.000 0.535 428 E N 1.459 121.637 120.200 -0.036 0.000 2.268 428 E HA -0.089 4.277 4.350 0.027 0.000 0.195 428 E C 2.082 178.662 176.600 -0.034 0.000 0.995 428 E CA 0.852 57.231 56.400 -0.034 0.000 0.836 428 E CB -0.212 29.470 29.700 -0.030 0.000 0.763 428 E HN 0.572 nan 8.360 nan 0.000 0.491 429 R N 0.247 120.727 120.500 -0.033 0.000 2.092 429 R HA -0.083 4.273 4.340 0.027 0.000 0.231 429 R C 2.168 178.446 176.300 -0.036 0.000 1.119 429 R CA 1.698 57.778 56.100 -0.033 0.000 0.970 429 R CB -0.609 29.672 30.300 -0.032 0.000 0.864 429 R HN 0.422 nan 8.270 nan 0.000 0.440 430 E N 0.081 120.256 120.200 -0.041 0.000 2.021 430 E HA -0.124 4.242 4.350 0.027 0.000 0.189 430 E C 2.144 178.714 176.600 -0.050 0.000 0.980 430 E CA 1.578 57.950 56.400 -0.048 0.000 0.803 430 E CB -1.005 28.662 29.700 -0.055 0.000 0.766 430 E HN 0.516 nan 8.360 nan 0.000 0.449 431 R N 0.900 121.370 120.500 -0.050 0.000 2.397 431 R HA -0.010 4.346 4.340 0.027 0.000 0.213 431 R C 1.881 178.156 176.300 -0.042 0.000 1.102 431 R CA 1.809 57.880 56.100 -0.049 0.000 1.040 431 R CB -1.102 29.169 30.300 -0.048 0.000 0.844 431 R HN 0.751 nan 8.270 nan 0.000 0.478 432 E N -0.343 119.834 120.200 -0.038 0.000 2.190 432 E HA 0.021 4.387 4.350 0.027 0.000 0.191 432 E C 1.614 178.196 176.600 -0.031 0.000 0.978 432 E CA 0.686 57.067 56.400 -0.032 0.000 0.839 432 E CB -0.002 29.681 29.700 -0.029 0.000 0.787 432 E HN 0.659 nan 8.360 nan 0.000 0.473 433 I N 0.816 121.365 120.570 -0.035 0.000 2.490 433 I HA -0.080 4.106 4.170 0.027 0.000 0.234 433 I C 2.840 178.935 176.117 -0.037 0.000 1.066 433 I CA 0.828 62.108 61.300 -0.033 0.000 1.405 433 I CB -1.010 36.969 38.000 -0.036 0.000 1.191 433 I HN 0.093 nan 8.210 nan 0.000 0.433 434 V N 1.736 121.621 119.914 -0.049 0.000 2.233 434 V HA -0.323 3.813 4.120 0.027 0.000 0.252 434 V C 2.354 178.418 176.094 -0.050 0.000 1.063 434 V CA 3.509 65.774 62.300 -0.058 0.000 1.032 434 V CB -1.814 29.960 31.823 -0.081 0.000 0.645 434 V HN 0.580 nan 8.190 nan 0.000 0.446 435 G N -0.780 107.991 108.800 -0.049 0.000 3.572 435 G HA2 -0.488 3.488 3.960 0.027 0.000 0.316 435 G HA3 -0.488 3.488 3.960 0.027 0.000 0.316 435 G C 1.492 176.367 174.900 -0.042 0.000 1.312 435 G CA 3.638 48.712 45.100 -0.043 0.000 1.364 435 G HN 1.600 nan 8.290 nan 0.000 1.234 436 E N 0.322 120.502 120.200 -0.034 0.000 2.046 436 E HA 0.219 4.585 4.350 0.027 0.000 0.190 436 E C 2.685 179.260 176.600 -0.041 0.000 0.982 436 E CA 1.260 57.641 56.400 -0.033 0.000 0.800 436 E CB -0.477 29.211 29.700 -0.019 0.000 0.756 436 E HN 0.619 nan 8.360 nan 0.000 0.449 437 L N -0.814 120.395 121.223 -0.024 0.000 2.011 437 L HA -0.266 4.090 4.340 0.027 0.000 0.225 437 L C 2.815 179.649 176.870 -0.061 0.000 1.084 437 L CA 2.045 56.876 54.840 -0.015 0.000 0.791 437 L CB -0.282 41.773 42.059 -0.006 0.000 0.898 437 L HN 0.415 nan 8.230 nan 0.000 0.440 438 L N 0.284 121.468 121.223 -0.065 0.000 2.131 438 L HA -0.224 4.132 4.340 0.027 0.000 0.210 438 L C 2.917 179.736 176.870 -0.084 0.000 1.092 438 L CA 2.467 57.262 54.840 -0.075 0.000 0.759 438 L CB -0.890 41.126 42.059 -0.071 0.000 0.903 438 L HN 0.240 nan 8.230 nan 0.000 0.435 439 K N -0.955 119.394 120.400 -0.086 0.000 2.116 439 K HA -0.086 4.250 4.320 0.027 0.000 0.203 439 K C 2.044 178.559 176.600 -0.142 0.000 1.052 439 K CA 1.217 57.446 56.287 -0.096 0.000 0.952 439 K CB -0.716 31.740 32.500 -0.073 0.000 0.729 439 K HN 0.364 nan 8.250 nan 0.000 0.446 440 E N 0.738 120.836 120.200 -0.169 0.000 2.110 440 E HA -0.077 4.289 4.350 0.027 0.000 0.193 440 E C 1.731 178.100 176.600 -0.385 0.000 0.988 440 E CA 1.363 57.596 56.400 -0.279 0.000 0.804 440 E CB -0.277 29.224 29.700 -0.331 0.000 0.745 440 E HN 0.618 nan 8.360 nan 0.000 0.458 441 I N 0.418 120.808 120.570 -0.300 0.000 2.286 441 I HA -0.190 3.996 4.170 0.027 0.000 0.245 441 I C 2.111 178.130 176.117 -0.163 0.000 1.104 441 I CA 1.305 62.470 61.300 -0.224 0.000 1.397 441 I CB -0.332 37.612 38.000 -0.093 0.000 1.072 441 I HN 0.158 nan 8.210 nan 0.000 0.417 442 E N 1.393 121.508 120.200 -0.142 0.000 2.204 442 E HA -0.227 4.139 4.350 0.027 0.000 0.194 442 E C 2.099 178.556 176.600 -0.238 0.000 0.989 442 E CA 1.026 57.348 56.400 -0.130 0.000 0.824 442 E CB -0.084 29.563 29.700 -0.089 0.000 0.756 442 E HN 0.565 nan 8.360 nan 0.000 0.477 443 K N 1.735 121.951 120.400 -0.307 0.000 2.026 443 K HA -0.175 4.161 4.320 0.027 0.000 0.208 443 K C 2.089 178.100 176.600 -0.982 0.000 1.048 443 K CA 1.558 57.542 56.287 -0.504 0.000 0.929 443 K CB -0.286 32.002 32.500 -0.353 0.000 0.713 443 K HN 0.070 nan 8.250 nan 0.000 0.439 444 R N 0.077 120.182 120.500 -0.659 0.000 2.276 444 R HA 0.128 4.484 4.340 0.027 0.000 0.196 444 R C 1.947 178.099 176.300 -0.247 0.000 0.961 444 R CA 0.123 55.907 56.100 -0.527 0.000 1.024 444 R CB -0.260 30.033 30.300 -0.012 0.000 0.940 444 R HN 0.045 nan 8.270 nan 0.000 0.480 445 L N 1.986 123.077 121.223 -0.219 0.000 2.141 445 L HA -0.044 4.312 4.340 0.027 0.000 0.209 445 L C 1.906 178.703 176.870 -0.122 0.000 1.094 445 L CA 1.742 56.521 54.840 -0.101 0.000 0.763 445 L CB -0.189 41.841 42.059 -0.049 0.000 0.908 445 L HN 0.204 nan 8.230 nan 0.000 0.437 446 E N -1.403 118.654 120.200 -0.238 0.000 2.046 446 E HA -0.196 4.170 4.350 0.027 0.000 0.190 446 E C 2.072 178.632 176.600 -0.068 0.000 0.982 446 E CA 1.059 57.350 56.400 -0.181 0.000 0.800 446 E CB -0.223 29.330 29.700 -0.245 0.000 0.756 446 E HN 0.316 nan 8.360 nan 0.000 0.449 447 F N 1.076 121.011 119.950 -0.025 0.000 2.225 447 F HA -0.199 4.344 4.527 0.027 0.000 0.302 447 F C 2.045 177.825 175.800 -0.035 0.000 1.068 447 F CA 0.904 58.885 58.000 -0.032 0.000 1.327 447 F CB -0.745 38.233 39.000 -0.036 0.000 1.043 447 F HN 0.025 nan 8.300 nan 0.000 0.506 448 L N -1.107 120.183 121.223 0.112 0.000 2.072 448 L HA -0.156 4.200 4.340 0.027 0.000 0.205 448 L C 2.368 179.249 176.870 0.019 0.000 1.079 448 L CA 0.594 55.459 54.840 0.041 0.000 0.752 448 L CB -0.652 41.406 42.059 -0.002 0.000 0.906 448 L HN -0.045 nan 8.230 nan 0.000 0.436 449 V N -0.417 119.505 119.914 0.014 0.000 2.307 449 V HA -0.268 3.868 4.120 0.027 0.000 0.245 449 V C 1.877 177.989 176.094 0.030 0.000 1.045 449 V CA 1.791 64.100 62.300 0.015 0.000 1.024 449 V CB -0.532 31.293 31.823 0.004 0.000 0.651 449 V HN 0.392 nan 8.190 nan 0.000 0.449 450 D N -0.461 119.970 120.400 0.051 0.000 2.311 450 D HA -0.112 4.544 4.640 0.027 0.000 0.212 450 D C 1.668 177.990 176.300 0.036 0.000 0.972 450 D CA 0.891 54.925 54.000 0.057 0.000 0.887 450 D CB 0.046 40.910 40.800 0.107 0.000 0.915 450 D HN 0.343 nan 8.370 nan 0.000 0.497 451 V N -1.060 118.873 119.914 0.032 0.000 3.578 451 V HA 0.285 4.421 4.120 0.027 0.000 0.290 451 V C 1.163 177.262 176.094 0.010 0.000 1.376 451 V CA 0.834 63.139 62.300 0.008 0.000 1.083 451 V CB 0.282 32.105 31.823 -0.000 0.000 0.911 451 V HN 0.343 nan 8.190 nan 0.000 0.433 452 G N 0.730 109.545 108.800 0.025 0.000 2.142 452 G HA2 -0.202 3.774 3.960 0.027 0.000 0.225 452 G HA3 -0.202 3.774 3.960 0.027 0.000 0.225 452 G C 0.266 175.253 174.900 0.145 0.000 1.015 452 G CA 0.347 45.480 45.100 0.054 0.000 0.716 452 G HN 0.480 nan 8.290 nan 0.000 0.508 453 L N 0.256 121.507 121.223 0.047 0.000 3.017 453 L HA 0.276 4.632 4.340 0.027 0.000 0.255 453 L C 1.967 178.724 176.870 -0.188 0.000 1.247 453 L CA 0.481 55.245 54.840 -0.127 0.000 1.038 453 L CB 0.380 42.333 42.059 -0.177 0.000 1.380 453 L HN 0.406 nan 8.230 nan 0.000 0.548 454 E N -0.208 119.995 120.200 0.004 0.000 2.333 454 E HA -0.269 4.097 4.350 0.027 0.000 0.198 454 E C 1.647 178.250 176.600 0.006 0.000 1.007 454 E CA 1.446 57.846 56.400 -0.001 0.000 0.845 454 E CB -0.534 29.189 29.700 0.038 0.000 0.766 454 E HN 0.700 nan 8.360 nan 0.000 0.507 455 Y N -0.138 120.137 120.300 -0.040 0.000 2.544 455 Y HA 0.307 4.873 4.550 0.027 0.000 0.286 455 Y C 0.674 176.548 175.900 -0.043 0.000 1.141 455 Y CA -0.577 57.500 58.100 -0.040 0.000 1.299 455 Y CB -0.115 38.323 38.460 -0.036 0.000 1.030 455 Y HN -0.116 nan 8.280 nan 0.000 0.543 456 L N 1.474 122.386 121.223 -0.518 0.000 2.479 456 L HA 0.322 4.678 4.340 0.027 0.000 0.248 456 L C 0.561 177.309 176.870 -0.204 0.000 1.205 456 L CA -0.350 54.256 54.840 -0.390 0.000 0.817 456 L CB 1.000 42.798 42.059 -0.435 0.000 1.162 456 L HN 0.315 nan 8.230 nan 0.000 0.486 457 T N -2.346 112.108 114.554 -0.167 0.000 2.893 457 T HA 0.401 4.767 4.350 0.027 0.000 0.291 457 T C 0.934 175.553 174.700 -0.136 0.000 1.028 457 T CA -0.872 61.136 62.100 -0.153 0.000 0.995 457 T CB 1.267 70.046 68.868 -0.149 0.000 1.051 457 T HN 0.432 nan 8.240 nan 0.000 0.470 458 L N 1.937 123.088 121.223 -0.120 0.000 2.127 458 L HA -0.095 4.261 4.340 0.027 0.000 0.211 458 L C 3.014 179.811 176.870 -0.122 0.000 1.089 458 L CA 1.700 56.495 54.840 -0.076 0.000 0.757 458 L CB -0.727 41.336 42.059 0.006 0.000 0.899 458 L HN 0.951 nan 8.230 nan 0.000 0.434 459 S N -0.356 115.234 115.700 -0.184 0.000 2.469 459 S HA -0.172 4.314 4.470 0.027 0.000 0.238 459 S C 1.233 175.748 174.600 -0.142 0.000 0.998 459 S CA 0.040 58.101 58.200 -0.231 0.000 0.957 459 S CB -0.427 62.565 63.200 -0.347 0.000 0.764 459 S HN 0.263 nan 8.310 nan 0.000 0.514 460 R N 3.242 123.676 120.500 -0.110 0.000 2.504 460 R HA 0.165 4.521 4.340 0.027 0.000 0.291 460 R C -0.002 176.267 176.300 -0.051 0.000 0.974 460 R CA 0.224 56.279 56.100 -0.075 0.000 1.077 460 R CB -0.398 29.854 30.300 -0.081 0.000 0.926 460 R HN 0.229 nan 8.270 nan 0.000 0.407 461 S N 3.485 119.168 115.700 -0.028 0.000 2.537 461 S HA 0.207 4.693 4.470 0.027 0.000 0.286 461 S C 1.321 175.926 174.600 0.008 0.000 1.299 461 S CA 0.076 58.275 58.200 -0.001 0.000 1.067 461 S CB 0.587 63.798 63.200 0.018 0.000 0.864 461 S HN 0.717 nan 8.310 nan 0.000 0.494 462 A N 4.807 127.640 122.820 0.023 0.000 2.019 462 A HA -0.027 4.309 4.320 0.027 0.000 0.219 462 A C 2.255 179.862 177.584 0.038 0.000 1.164 462 A CA 2.084 54.136 52.037 0.024 0.000 0.644 462 A CB -1.291 17.730 19.000 0.035 0.000 0.805 462 A HN 0.844 nan 8.150 nan 0.000 0.449 463 T N 0.245 114.835 114.554 0.059 0.000 2.737 463 T HA -0.121 4.245 4.350 0.027 0.000 0.269 463 T C 1.639 176.378 174.700 0.064 0.000 1.040 463 T CA 2.008 64.158 62.100 0.084 0.000 1.142 463 T CB -0.417 68.501 68.868 0.085 0.000 0.861 463 T HN 0.772 nan 8.240 nan 0.000 0.456 464 T N -0.038 114.540 114.554 0.040 0.000 3.264 464 T HA 0.507 4.873 4.350 0.027 0.000 0.257 464 T C 0.126 174.841 174.700 0.025 0.000 0.976 464 T CA -0.350 61.769 62.100 0.031 0.000 0.908 464 T CB -0.530 68.351 68.868 0.021 0.000 1.082 464 T HN 0.152 nan 8.240 nan 0.000 0.567 465 L N 2.499 123.737 121.223 0.024 0.000 2.309 465 L HA 0.522 4.878 4.340 0.027 0.000 0.282 465 L C 1.028 177.913 176.870 0.025 0.000 1.036 465 L CA -1.014 53.836 54.840 0.017 0.000 0.806 465 L CB 1.558 43.617 42.059 0.001 0.000 1.220 465 L HN 0.377 nan 8.230 nan 0.000 0.429 466 S N 1.514 117.233 115.700 0.033 0.000 2.592 466 S HA 0.056 4.542 4.470 0.027 0.000 0.256 466 S C 1.282 175.895 174.600 0.021 0.000 1.369 466 S CA -0.030 58.190 58.200 0.033 0.000 0.984 466 S CB 0.835 64.063 63.200 0.047 0.000 0.919 466 S HN 0.794 nan 8.310 nan 0.000 0.576 467 G N 0.043 108.853 108.800 0.018 0.000 2.408 467 G HA2 0.118 4.094 3.960 0.027 0.000 0.217 467 G HA3 0.118 4.094 3.960 0.027 0.000 0.217 467 G C 1.323 176.223 174.900 0.001 0.000 1.150 467 G CA 0.456 45.559 45.100 0.006 0.000 0.776 467 G HN 0.974 nan 8.290 nan 0.000 0.542 468 G N 0.384 109.190 108.800 0.010 0.000 2.403 468 G HA2 -0.040 3.936 3.960 0.027 0.000 0.216 468 G HA3 -0.040 3.936 3.960 0.027 0.000 0.216 468 G C 1.565 176.468 174.900 0.004 0.000 1.154 468 G CA 0.922 46.024 45.100 0.004 0.000 0.784 468 G HN 0.498 nan 8.290 nan 0.000 0.538 469 E N 0.523 120.734 120.200 0.019 0.000 2.051 469 E HA -0.072 4.294 4.350 0.027 0.000 0.192 469 E C 2.887 179.479 176.600 -0.013 0.000 0.991 469 E CA 1.067 57.474 56.400 0.012 0.000 0.799 469 E CB -0.049 29.666 29.700 0.026 0.000 0.748 469 E HN 0.320 nan 8.360 nan 0.000 0.449 470 S N 0.718 116.411 115.700 -0.012 0.000 2.359 470 S HA -0.298 4.188 4.470 0.027 0.000 0.223 470 S C 2.032 176.613 174.600 -0.030 0.000 1.039 470 S CA 1.671 59.858 58.200 -0.022 0.000 1.042 470 S CB -0.322 62.865 63.200 -0.022 0.000 0.915 470 S HN 0.299 nan 8.310 nan 0.000 0.439 471 Q N 0.775 120.556 119.800 -0.031 0.000 2.112 471 Q HA -0.159 4.197 4.340 0.027 0.000 0.206 471 Q C 2.073 178.041 176.000 -0.053 0.000 0.987 471 Q CA 1.514 57.290 55.803 -0.044 0.000 0.858 471 Q CB -0.056 28.657 28.738 -0.042 0.000 0.905 471 Q HN 0.428 nan 8.270 nan 0.000 0.420 472 R N -0.343 120.130 120.500 -0.044 0.000 2.193 472 R HA 0.070 4.426 4.340 0.027 0.000 0.213 472 R C 2.229 178.501 176.300 -0.047 0.000 1.055 472 R CA 0.756 56.827 56.100 -0.049 0.000 0.995 472 R CB 0.016 30.295 30.300 -0.034 0.000 0.893 472 R HN 0.383 nan 8.270 nan 0.000 0.459 473 I N 0.563 121.109 120.570 -0.040 0.000 2.286 473 I HA -0.231 3.955 4.170 0.027 0.000 0.245 473 I C 2.368 178.465 176.117 -0.033 0.000 1.104 473 I CA 1.220 62.501 61.300 -0.031 0.000 1.397 473 I CB -0.164 37.820 38.000 -0.026 0.000 1.072 473 I HN 0.120 nan 8.210 nan 0.000 0.417 474 R N 0.215 120.689 120.500 -0.044 0.000 2.105 474 R HA -0.211 4.145 4.340 0.027 0.000 0.239 474 R C 2.250 178.492 176.300 -0.097 0.000 1.135 474 R CA 1.305 57.373 56.100 -0.054 0.000 0.967 474 R CB -0.441 29.827 30.300 -0.053 0.000 0.861 474 R HN 0.228 nan 8.270 nan 0.000 0.442 475 L N 0.652 121.804 121.223 -0.118 0.000 2.017 475 L HA -0.116 4.240 4.340 0.027 0.000 0.208 475 L C 2.188 178.956 176.870 -0.170 0.000 1.073 475 L CA 2.116 56.848 54.840 -0.180 0.000 0.745 475 L CB -0.796 41.170 42.059 -0.154 0.000 0.894 475 L HN 0.114 nan 8.230 nan 0.000 0.432 476 A N -1.522 121.243 122.820 -0.092 0.000 1.873 476 A HA -0.175 4.161 4.320 0.027 0.000 0.215 476 A C 2.222 179.791 177.584 -0.026 0.000 1.186 476 A CA 2.228 54.241 52.037 -0.041 0.000 0.616 476 A CB -1.250 17.777 19.000 0.044 0.000 0.823 476 A HN 0.533 nan 8.150 nan 0.000 0.442 477 T N -0.385 114.164 114.554 -0.009 0.000 2.652 477 T HA -0.203 4.163 4.350 0.027 0.000 0.267 477 T C 2.114 176.797 174.700 -0.028 0.000 1.039 477 T CA 1.873 63.982 62.100 0.015 0.000 1.153 477 T CB -0.295 68.586 68.868 0.021 0.000 0.863 477 T HN 0.463 nan 8.240 nan 0.000 0.428 478 Q N 0.366 120.115 119.800 -0.085 0.000 2.124 478 Q HA 0.123 4.479 4.340 0.027 0.000 0.202 478 Q C 2.071 177.974 176.000 -0.162 0.000 0.977 478 Q CA 0.934 56.676 55.803 -0.102 0.000 0.850 478 Q CB -0.473 28.157 28.738 -0.180 0.000 0.901 478 Q HN 0.585 nan 8.270 nan 0.000 0.429 479 I N -0.924 119.484 120.570 -0.269 0.000 2.546 479 I HA -0.119 4.068 4.170 0.027 0.000 0.255 479 I C 1.602 177.475 176.117 -0.407 0.000 1.163 479 I CA 1.133 62.210 61.300 -0.371 0.000 1.457 479 I CB -0.211 37.485 38.000 -0.506 0.000 1.092 479 I HN 0.303 nan 8.210 nan 0.000 0.434 480 G N 0.216 108.870 108.800 -0.242 0.000 2.394 480 G HA2 -0.272 3.704 3.960 0.027 0.000 0.215 480 G HA3 -0.272 3.704 3.960 0.027 0.000 0.215 480 G C 1.660 176.589 174.900 0.048 0.000 1.165 480 G CA 0.765 45.865 45.100 0.001 0.000 0.784 480 G HN 0.531 nan 8.290 nan 0.000 0.535 481 S N 0.328 116.046 115.700 0.029 0.000 2.547 481 S HA 0.223 4.709 4.470 0.027 0.000 0.235 481 S C 2.097 176.720 174.600 0.039 0.000 0.980 481 S CA 1.124 59.356 58.200 0.054 0.000 0.941 481 S CB -0.618 62.613 63.200 0.051 0.000 0.763 481 S HN 1.535 nan 8.310 nan 0.000 0.532 482 G N 0.591 109.394 108.800 0.005 0.000 2.225 482 G HA2 -0.313 3.663 3.960 0.027 0.000 0.272 482 G HA3 -0.313 3.663 3.960 0.027 0.000 0.272 482 G C 0.034 174.949 174.900 0.025 0.000 0.996 482 G CA 0.564 45.666 45.100 0.004 0.000 0.710 482 G HN 0.747 nan 8.290 nan 0.000 0.522 483 L N 1.505 122.754 121.223 0.044 0.000 2.543 483 L HA 0.542 4.898 4.340 0.027 0.000 0.285 483 L C 0.953 177.853 176.870 0.051 0.000 1.236 483 L CA 1.493 56.361 54.840 0.046 0.000 0.871 483 L CB 0.712 42.807 42.059 0.059 0.000 1.121 483 L HN 0.693 nan 8.230 nan 0.000 0.501 484 T N 0.609 115.170 114.554 0.013 0.000 2.883 484 T HA 0.673 5.039 4.350 0.027 0.000 0.301 484 T C 0.356 175.037 174.700 -0.033 0.000 1.158 484 T CA -0.164 61.939 62.100 0.005 0.000 1.007 484 T CB 1.625 70.498 68.868 0.008 0.000 1.186 484 T HN 1.406 nan 8.240 nan 0.000 0.499 485 G N 0.161 108.936 108.800 -0.041 0.000 2.213 485 G HA2 -0.160 3.816 3.960 0.027 0.000 0.236 485 G HA3 -0.160 3.816 3.960 0.027 0.000 0.236 485 G C 0.230 175.067 174.900 -0.105 0.000 0.991 485 G CA 0.414 45.480 45.100 -0.057 0.000 0.629 485 G HN 2.003 nan 8.290 nan 0.000 0.517 486 V N -0.603 119.197 119.914 -0.189 0.000 2.997 486 V HA 0.789 4.925 4.120 0.027 0.000 0.311 486 V C 0.843 176.746 176.094 -0.318 0.000 1.066 486 V CA -1.261 60.853 62.300 -0.309 0.000 1.039 486 V CB 1.636 33.136 31.823 -0.538 0.000 1.081 486 V HN 0.334 nan 8.190 nan 0.000 0.467 487 I N 3.110 123.517 120.570 -0.272 0.000 2.291 487 I HA 0.340 4.526 4.170 0.027 0.000 0.290 487 I C -0.841 175.139 176.117 -0.228 0.000 1.050 487 I CA -0.162 61.036 61.300 -0.170 0.000 1.245 487 I CB 0.386 38.347 38.000 -0.065 0.000 1.405 487 I HN 0.631 nan 8.210 nan 0.000 0.478 488 Y N 5.360 125.630 120.300 -0.051 0.000 2.316 488 Y HA 0.377 4.943 4.550 0.027 0.000 0.331 488 Y C 0.187 176.032 175.900 -0.091 0.000 1.083 488 Y CA -0.635 57.414 58.100 -0.085 0.000 1.206 488 Y CB 1.338 39.747 38.460 -0.086 0.000 1.195 488 Y HN 0.200 nan 8.280 nan 0.000 0.497 489 V N 6.274 126.196 119.914 0.013 0.000 2.350 489 V HA 0.332 4.468 4.120 0.027 0.000 0.285 489 V C -0.604 175.439 176.094 -0.085 0.000 1.014 489 V CA -0.746 61.526 62.300 -0.045 0.000 0.831 489 V CB 0.996 32.776 31.823 -0.071 0.000 1.000 489 V HN 0.517 nan 8.190 nan 0.000 0.433 490 L N 3.936 125.125 121.223 -0.058 0.000 2.317 490 L HA 0.563 4.919 4.340 0.027 0.000 0.281 490 L C -0.215 176.612 176.870 -0.071 0.000 1.024 490 L CA -0.209 54.587 54.840 -0.074 0.000 0.810 490 L CB 1.639 43.654 42.059 -0.074 0.000 1.240 490 L HN 0.551 nan 8.230 nan 0.000 0.427 491 D N 2.518 122.876 120.400 -0.069 0.000 2.373 491 D HA 0.169 4.825 4.640 0.027 0.000 0.227 491 D C -0.344 175.921 176.300 -0.060 0.000 1.091 491 D CA -0.163 53.801 54.000 -0.060 0.000 0.840 491 D CB 0.537 41.315 40.800 -0.037 0.000 1.060 491 D HN 0.524 nan 8.370 nan 0.000 0.502 492 E N 3.122 123.272 120.200 -0.083 0.000 2.246 492 E HA -0.155 4.211 4.350 0.027 0.000 0.173 492 E C -1.726 174.842 176.600 -0.053 0.000 1.532 492 E CA -0.151 56.205 56.400 -0.072 0.000 0.672 492 E CB 0.089 29.774 29.700 -0.026 0.000 1.078 492 E HN 0.515 nan 8.360 nan 0.000 0.338 493 P HA -0.093 nan 4.420 nan 0.000 0.242 493 P C 1.002 178.267 177.300 -0.059 0.000 1.197 493 P CA 0.959 64.023 63.100 -0.061 0.000 0.765 493 P CB -0.029 31.628 31.700 -0.071 0.000 0.936 494 T N -3.788 110.732 114.554 -0.057 0.000 3.081 494 T HA 0.130 4.496 4.350 0.027 0.000 0.250 494 T C 0.985 175.649 174.700 -0.059 0.000 1.100 494 T CA -0.265 61.795 62.100 -0.067 0.000 1.038 494 T CB -0.806 68.022 68.868 -0.065 0.000 0.962 494 T HN -0.027 nan 8.240 nan 0.000 0.516 495 I N 2.750 123.303 120.570 -0.029 0.000 2.978 495 I HA 0.162 4.348 4.170 0.027 0.000 0.293 495 I C 1.582 177.694 176.117 -0.010 0.000 1.218 495 I CA 1.539 62.837 61.300 -0.002 0.000 1.393 495 I CB -0.433 37.569 38.000 0.003 0.000 1.394 495 I HN 0.631 nan 8.210 nan 0.000 0.541 496 G N 4.800 113.610 108.800 0.017 0.000 2.175 496 G HA2 -0.245 3.731 3.960 0.027 0.000 0.244 496 G HA3 -0.245 3.731 3.960 0.027 0.000 0.244 496 G C -0.367 174.392 174.900 -0.235 0.000 0.982 496 G CA -0.565 44.547 45.100 0.021 0.000 0.641 496 G HN 0.445 nan 8.290 nan 0.000 0.527 497 L N 1.918 122.920 121.223 -0.368 0.000 2.296 497 L HA 0.604 4.960 4.340 0.027 0.000 0.286 497 L C 0.701 177.152 176.870 -0.700 0.000 1.023 497 L CA -1.323 53.260 54.840 -0.429 0.000 0.812 497 L CB 0.961 42.893 42.059 -0.211 0.000 1.223 497 L HN 0.298 nan 8.230 nan 0.000 0.421 498 H N 6.020 124.651 119.070 -0.732 0.000 2.771 498 H HA 0.110 4.683 4.556 0.028 0.000 0.364 498 H C -1.823 173.289 175.328 -0.360 0.000 1.133 498 H CA -1.009 54.765 56.048 -0.456 0.000 1.423 498 H CB 1.488 31.087 29.762 -0.273 0.000 1.425 498 H HN 0.471 nan 8.280 nan 0.000 0.606 499 P HA -0.163 nan 4.420 nan 0.000 0.219 499 P C 1.559 178.473 177.300 -0.643 0.000 1.146 499 P CA 1.238 64.062 63.100 -0.460 0.000 0.808 499 P CB 0.027 31.379 31.700 -0.579 0.000 0.779 500 R N 0.408 120.603 120.500 -0.509 0.000 2.148 500 R HA -0.123 4.233 4.340 0.027 0.000 0.227 500 R C 0.541 176.734 176.300 -0.178 0.000 1.103 500 R CA 1.625 57.447 56.100 -0.465 0.000 0.983 500 R CB -0.682 29.486 30.300 -0.219 0.000 0.874 500 R HN 0.127 nan 8.270 nan 0.000 0.451 501 D N -0.280 120.019 120.400 -0.168 0.000 2.349 501 D HA 0.041 4.697 4.640 0.027 0.000 0.214 501 D C 1.047 177.295 176.300 -0.087 0.000 1.063 501 D CA 0.363 54.295 54.000 -0.112 0.000 0.847 501 D CB 0.523 41.253 40.800 -0.117 0.000 0.933 501 D HN 0.172 nan 8.370 nan 0.000 0.513 502 T N 0.970 115.460 114.554 -0.107 0.000 2.833 502 T HA -0.188 4.178 4.350 0.027 0.000 0.269 502 T C 1.829 176.510 174.700 -0.033 0.000 1.054 502 T CA 1.344 63.399 62.100 -0.075 0.000 1.135 502 T CB 0.064 68.883 68.868 -0.082 0.000 0.869 502 T HN 0.225 nan 8.240 nan 0.000 0.466 503 E N 1.305 121.500 120.200 -0.009 0.000 2.097 503 E HA -0.181 4.185 4.350 0.027 0.000 0.196 503 E C 2.243 178.849 176.600 0.010 0.000 1.000 503 E CA 1.444 57.856 56.400 0.021 0.000 0.804 503 E CB -0.110 29.623 29.700 0.055 0.000 0.740 503 E HN 0.334 nan 8.360 nan 0.000 0.454 504 R N -0.763 119.737 120.500 0.000 0.000 2.161 504 R HA 0.084 4.441 4.340 0.027 0.000 0.213 504 R C 2.354 178.649 176.300 -0.009 0.000 1.055 504 R CA 0.747 56.848 56.100 0.002 0.000 0.996 504 R CB -0.200 30.102 30.300 0.003 0.000 0.901 504 R HN 0.317 nan 8.270 nan 0.000 0.456 505 L N 0.464 121.673 121.223 -0.024 0.000 2.056 505 L HA -0.058 4.298 4.340 0.027 0.000 0.207 505 L C 1.720 178.569 176.870 -0.035 0.000 1.078 505 L CA 1.581 56.400 54.840 -0.035 0.000 0.749 505 L CB -0.078 41.952 42.059 -0.048 0.000 0.901 505 L HN 0.170 nan 8.230 nan 0.000 0.433 506 I N -0.582 119.973 120.570 -0.025 0.000 2.493 506 I HA -0.274 3.912 4.170 0.027 0.000 0.254 506 I C 2.432 178.540 176.117 -0.015 0.000 1.160 506 I CA 1.196 62.484 61.300 -0.019 0.000 1.445 506 I CB -0.297 37.700 38.000 -0.005 0.000 1.086 506 I HN 0.251 nan 8.210 nan 0.000 0.433 507 K N 0.196 120.590 120.400 -0.009 0.000 2.167 507 K HA -0.075 4.261 4.320 0.027 0.000 0.203 507 K C 2.023 178.614 176.600 -0.016 0.000 1.052 507 K CA 1.210 57.496 56.287 -0.003 0.000 0.956 507 K CB 0.121 32.627 32.500 0.011 0.000 0.735 507 K HN 0.194 nan 8.250 nan 0.000 0.451 508 T N 1.457 115.994 114.554 -0.028 0.000 2.851 508 T HA -0.016 4.350 4.350 0.027 0.000 0.262 508 T C 1.683 176.328 174.700 -0.092 0.000 1.043 508 T CA 0.722 62.786 62.100 -0.060 0.000 1.140 508 T CB -0.040 68.792 68.868 -0.059 0.000 0.872 508 T HN 0.111 nan 8.240 nan 0.000 0.446 509 L N 0.618 121.794 121.223 -0.078 0.000 2.043 509 L HA -0.150 4.206 4.340 0.027 0.000 0.212 509 L C 2.560 179.393 176.870 -0.062 0.000 1.075 509 L CA 1.500 56.291 54.840 -0.081 0.000 0.752 509 L CB -0.459 41.564 42.059 -0.059 0.000 0.891 509 L HN 0.236 nan 8.230 nan 0.000 0.432 510 K N -0.334 120.041 120.400 -0.041 0.000 2.217 510 K HA -0.153 4.183 4.320 0.027 0.000 0.202 510 K C 2.113 178.692 176.600 -0.035 0.000 1.051 510 K CA 0.753 57.025 56.287 -0.025 0.000 0.952 510 K CB 0.051 32.546 32.500 -0.009 0.000 0.736 510 K HN 0.179 nan 8.250 nan 0.000 0.453 511 K N 0.815 121.181 120.400 -0.057 0.000 2.116 511 K HA -0.061 4.275 4.320 0.027 0.000 0.203 511 K C 1.896 178.432 176.600 -0.106 0.000 1.052 511 K CA 0.520 56.762 56.287 -0.075 0.000 0.952 511 K CB 0.055 32.498 32.500 -0.095 0.000 0.729 511 K HN -0.028 nan 8.250 nan 0.000 0.446 512 L N 1.405 122.546 121.223 -0.137 0.000 2.353 512 L HA -0.094 4.262 4.340 0.027 0.000 0.220 512 L C 2.128 178.970 176.870 -0.046 0.000 1.133 512 L CA 1.380 56.130 54.840 -0.150 0.000 0.798 512 L CB -0.254 41.655 42.059 -0.251 0.000 0.922 512 L HN 0.088 nan 8.230 nan 0.000 0.445 513 R N -0.979 119.503 120.500 -0.031 0.000 2.112 513 R HA -0.051 4.305 4.340 0.027 0.000 0.216 513 R C 1.048 177.351 176.300 0.004 0.000 1.080 513 R CA 1.078 57.181 56.100 0.006 0.000 0.996 513 R CB 0.002 30.304 30.300 0.002 0.000 0.902 513 R HN 0.337 nan 8.270 nan 0.000 0.449 514 D N 0.859 121.253 120.400 -0.011 0.000 2.363 514 D HA -0.038 4.618 4.640 0.027 0.000 0.226 514 D C 1.344 177.640 176.300 -0.006 0.000 1.020 514 D CA 0.424 54.420 54.000 -0.006 0.000 0.892 514 D CB 0.235 41.031 40.800 -0.007 0.000 0.900 514 D HN 0.292 nan 8.370 nan 0.000 0.531 515 L N -0.323 120.895 121.223 -0.008 0.000 2.599 515 L HA 0.146 4.502 4.340 0.027 0.000 0.230 515 L C 1.122 177.999 176.870 0.011 0.000 1.141 515 L CA 0.194 55.034 54.840 -0.000 0.000 0.877 515 L CB -0.135 41.922 42.059 -0.002 0.000 1.009 515 L HN 0.054 nan 8.230 nan 0.000 0.447 516 G N 0.545 109.353 108.800 0.013 0.000 2.303 516 G HA2 -0.216 3.760 3.960 0.027 0.000 0.260 516 G HA3 -0.216 3.760 3.960 0.027 0.000 0.260 516 G C -0.392 174.517 174.900 0.015 0.000 1.106 516 G CA -0.454 44.652 45.100 0.010 0.000 0.900 516 G HN 0.317 nan 8.290 nan 0.000 0.495 517 N N -0.234 118.489 118.700 0.038 0.000 2.292 517 N HA 0.602 5.358 4.740 0.027 0.000 0.303 517 N C -0.176 175.363 175.510 0.049 0.000 1.140 517 N CA -0.302 52.780 53.050 0.053 0.000 0.788 517 N CB 1.560 40.157 38.487 0.184 0.000 1.361 517 N HN 0.117 nan 8.380 nan 0.000 0.489 518 T N 0.617 115.186 114.554 0.025 0.000 2.749 518 T HA 0.317 4.684 4.350 0.027 0.000 0.295 518 T C 0.203 174.947 174.700 0.072 0.000 0.936 518 T CA -0.393 61.723 62.100 0.027 0.000 1.060 518 T CB 0.534 69.401 68.868 -0.002 0.000 0.904 518 T HN 0.090 nan 8.240 nan 0.000 0.500 519 V N 5.656 125.613 119.914 0.071 0.000 2.350 519 V HA 0.419 4.555 4.120 0.027 0.000 0.285 519 V C -0.042 176.080 176.094 0.046 0.000 1.014 519 V CA -0.755 61.594 62.300 0.082 0.000 0.831 519 V CB 0.824 32.674 31.823 0.046 0.000 1.000 519 V HN 0.817 nan 8.190 nan 0.000 0.433 520 I N 5.343 125.939 120.570 0.043 0.000 2.330 520 I HA 0.474 4.660 4.170 0.027 0.000 0.289 520 I C -0.618 175.499 176.117 -0.000 0.000 1.001 520 I CA -0.692 60.623 61.300 0.024 0.000 1.193 520 I CB 1.899 39.916 38.000 0.028 0.000 1.345 520 I HN 0.274 nan 8.210 nan 0.000 0.461 521 V N 7.303 127.208 119.914 -0.015 0.000 2.378 521 V HA 0.249 4.385 4.120 0.027 0.000 0.288 521 V C 0.129 176.181 176.094 -0.070 0.000 1.016 521 V CA -0.765 61.507 62.300 -0.046 0.000 0.840 521 V CB 1.940 33.733 31.823 -0.052 0.000 0.994 521 V HN 0.381 nan 8.190 nan 0.000 0.431 522 V N 4.772 124.632 119.914 -0.089 0.000 2.387 522 V HA 0.391 4.527 4.120 0.027 0.000 0.260 522 V C 0.131 176.080 176.094 -0.241 0.000 1.054 522 V CA 0.328 62.541 62.300 -0.146 0.000 0.967 522 V CB 0.898 32.652 31.823 -0.114 0.000 1.036 522 V HN 0.992 nan 8.190 nan 0.000 0.481 523 E N 2.694 122.699 120.200 -0.324 0.000 2.429 523 E HA 0.497 4.863 4.350 0.027 0.000 0.276 523 E C -0.356 175.900 176.600 -0.574 0.000 0.953 523 E CA -0.478 55.691 56.400 -0.386 0.000 0.787 523 E CB 1.697 31.281 29.700 -0.193 0.000 1.307 523 E HN 0.586 nan 8.360 nan 0.000 0.458 524 H N -0.590 118.347 119.070 -0.222 0.000 3.017 524 H HA 0.249 4.822 4.556 0.029 0.000 0.255 524 H C -0.312 174.719 175.328 -0.495 0.000 0.990 524 H CA -0.148 55.633 56.048 -0.444 0.000 1.205 524 H CB 0.633 30.128 29.762 -0.445 0.000 1.460 524 H HN 0.361 nan 8.280 nan 0.000 0.478 525 D N 2.507 122.827 120.400 -0.133 0.000 2.487 525 D HA -0.089 4.567 4.640 0.027 0.000 0.243 525 D C 1.045 177.370 176.300 0.042 0.000 1.154 525 D CA 0.146 54.130 54.000 -0.027 0.000 0.876 525 D CB 1.020 41.808 40.800 -0.021 0.000 1.161 525 D HN 0.518 nan 8.370 nan 0.000 0.478 526 E N 3.925 124.261 120.200 0.226 0.000 2.077 526 E HA -0.263 4.103 4.350 0.027 0.000 0.193 526 E C 1.475 178.150 176.600 0.125 0.000 0.989 526 E CA 0.966 57.534 56.400 0.280 0.000 0.800 526 E CB -0.383 29.492 29.700 0.292 0.000 0.746 526 E HN 0.705 nan 8.360 nan 0.000 0.452 527 E N 0.951 121.203 120.200 0.086 0.000 2.118 527 E HA -0.156 4.210 4.350 0.027 0.000 0.195 527 E C 2.204 178.827 176.600 0.037 0.000 0.992 527 E CA 1.584 58.018 56.400 0.056 0.000 0.804 527 E CB 0.171 29.895 29.700 0.041 0.000 0.741 527 E HN 0.173 nan 8.360 nan 0.000 0.458 528 V N 1.039 120.965 119.914 0.021 0.000 2.379 528 V HA -0.223 3.913 4.120 0.027 0.000 0.245 528 V C 2.314 178.414 176.094 0.010 0.000 1.044 528 V CA 1.413 63.714 62.300 0.002 0.000 1.036 528 V CB -0.390 31.418 31.823 -0.026 0.000 0.664 528 V HN 0.328 nan 8.190 nan 0.000 0.453 529 I N -0.087 120.495 120.570 0.020 0.000 2.208 529 I HA -0.253 3.933 4.170 0.027 0.000 0.245 529 I C 2.707 178.851 176.117 0.045 0.000 1.097 529 I CA 1.630 62.948 61.300 0.031 0.000 1.363 529 I CB -0.481 37.551 38.000 0.054 0.000 1.051 529 I HN 0.226 nan 8.210 nan 0.000 0.413 530 R N 0.682 121.213 120.500 0.052 0.000 2.189 530 R HA -0.034 4.322 4.340 0.027 0.000 0.223 530 R C 1.374 177.698 176.300 0.041 0.000 1.092 530 R CA 0.785 56.914 56.100 0.048 0.000 0.989 530 R CB -0.292 30.038 30.300 0.049 0.000 0.876 530 R HN 0.511 nan 8.270 nan 0.000 0.457 531 N N 0.608 119.330 118.700 0.036 0.000 2.280 531 N HA 0.078 4.834 4.740 0.027 0.000 0.192 531 N C -0.175 175.356 175.510 0.034 0.000 1.109 531 N CA -0.097 52.972 53.050 0.032 0.000 0.855 531 N CB 0.698 39.200 38.487 0.025 0.000 0.974 531 N HN 0.079 nan 8.380 nan 0.000 0.482 532 A N 1.020 123.863 122.820 0.038 0.000 2.511 532 A HA 0.009 4.345 4.320 0.027 0.000 0.242 532 A C 0.729 178.352 177.584 0.065 0.000 1.069 532 A CA 0.075 52.140 52.037 0.047 0.000 0.763 532 A CB 0.384 19.412 19.000 0.047 0.000 1.001 532 A HN 0.059 nan 8.150 nan 0.000 0.498 533 D N -0.452 119.994 120.400 0.077 0.000 2.224 533 D HA 0.052 4.708 4.640 0.027 0.000 0.205 533 D C 0.292 176.693 176.300 0.167 0.000 0.965 533 D CA 1.859 55.917 54.000 0.097 0.000 0.852 533 D CB 0.021 40.868 40.800 0.079 0.000 0.947 533 D HN 0.752 nan 8.370 nan 0.000 0.494 534 H N -1.244 117.849 119.070 0.038 0.000 3.087 534 H HA 0.427 5.000 4.556 0.027 0.000 0.348 534 H C -1.510 173.853 175.328 0.059 0.000 1.092 534 H CA -0.513 55.559 56.048 0.040 0.000 1.285 534 H CB 0.837 30.606 29.762 0.011 0.000 1.875 534 H HN -0.246 nan 8.280 nan 0.000 0.512 535 I N 5.932 126.302 120.570 -0.333 0.000 2.530 535 I HA 0.408 4.594 4.170 0.027 0.000 0.297 535 I C -0.444 175.547 176.117 -0.209 0.000 1.011 535 I CA -0.853 60.376 61.300 -0.118 0.000 1.107 535 I CB 1.896 39.959 38.000 0.105 0.000 1.285 535 I HN 0.474 nan 8.210 nan 0.000 0.436 536 I N 4.100 124.647 120.570 -0.039 0.000 2.439 536 I HA 0.255 4.441 4.170 0.027 0.000 0.283 536 I C -1.186 174.970 176.117 0.065 0.000 1.023 536 I CA -0.456 60.840 61.300 -0.007 0.000 1.100 536 I CB 1.792 39.801 38.000 0.014 0.000 1.238 536 I HN 0.442 nan 8.210 nan 0.000 0.445 537 D N 6.328 126.804 120.400 0.128 0.000 2.280 537 D HA 0.543 5.199 4.640 0.027 0.000 0.236 537 D C -0.815 175.528 176.300 0.071 0.000 1.082 537 D CA -0.147 53.927 54.000 0.122 0.000 0.834 537 D CB 1.300 42.212 40.800 0.186 0.000 1.100 537 D HN 0.183 nan 8.370 nan 0.000 0.486 538 I N 2.833 123.424 120.570 0.033 0.000 2.412 538 I HA 0.736 4.922 4.170 0.027 0.000 0.296 538 I C 1.064 177.164 176.117 -0.029 0.000 0.987 538 I CA 0.313 61.615 61.300 0.003 0.000 1.180 538 I CB 1.592 39.589 38.000 -0.005 0.000 1.340 538 I HN 0.564 nan 8.210 nan 0.000 0.455 539 G N 5.431 114.208 108.800 -0.039 0.000 2.498 539 G HA2 0.146 4.122 3.960 0.027 0.000 0.181 539 G HA3 0.146 4.122 3.960 0.027 0.000 0.181 539 G C -2.593 172.274 174.900 -0.056 0.000 1.169 539 G CA -0.260 44.797 45.100 -0.073 0.000 0.992 539 G HN 0.268 nan 8.290 nan 0.000 0.490 540 P HA 0.074 nan 4.420 nan 0.000 0.214 540 P C 1.169 178.399 177.300 -0.116 0.000 1.169 540 P CA 2.583 65.646 63.100 -0.062 0.000 0.908 540 P CB -0.071 31.603 31.700 -0.043 0.000 0.791 541 G N -2.370 106.336 108.800 -0.158 0.000 3.209 541 G HA2 0.553 4.529 3.960 0.027 0.000 0.236 541 G HA3 0.553 4.529 3.960 0.027 0.000 0.236 541 G C -0.174 174.485 174.900 -0.402 0.000 1.329 541 G CA -0.204 44.740 45.100 -0.261 0.000 1.015 541 G HN 0.264 nan 8.290 nan 0.000 0.571 542 G N -1.665 106.657 108.800 -0.796 0.000 2.651 542 G HA2 0.518 4.494 3.960 0.027 0.000 0.260 542 G HA3 0.518 4.494 3.960 0.027 0.000 0.260 542 G C 1.167 175.623 174.900 -0.740 0.000 1.216 542 G CA 0.803 45.151 45.100 -1.254 0.000 0.913 542 G HN 1.881 nan 8.290 nan 0.000 0.535 543 G N -0.280 108.427 108.800 -0.154 0.000 2.684 543 G HA2 -0.360 3.616 3.960 0.027 0.000 0.332 543 G HA3 -0.360 3.616 3.960 0.027 0.000 0.332 543 G C 1.444 176.330 174.900 -0.022 0.000 1.306 543 G CA 1.543 46.722 45.100 0.131 0.000 1.002 543 G HN 1.294 nan 8.290 nan 0.000 0.545 544 T N 1.584 116.161 114.554 0.037 0.000 2.977 544 T HA -0.075 4.292 4.350 0.027 0.000 0.271 544 T C 1.855 176.539 174.700 -0.027 0.000 1.105 544 T CA 1.565 63.667 62.100 0.004 0.000 1.116 544 T CB -0.260 68.629 68.868 0.035 0.000 0.878 544 T HN 0.493 nan 8.240 nan 0.000 0.509 545 N N 1.023 119.687 118.700 -0.060 0.000 2.461 545 N HA 0.139 4.895 4.740 0.027 0.000 0.188 545 N C 0.978 176.417 175.510 -0.118 0.000 1.134 545 N CA 0.109 53.106 53.050 -0.088 0.000 0.878 545 N CB 0.178 38.595 38.487 -0.117 0.000 0.972 545 N HN 0.514 nan 8.380 nan 0.000 0.456 546 G N -1.315 107.410 108.800 -0.126 0.000 3.122 546 G HA2 0.482 4.458 3.960 0.027 0.000 0.180 546 G HA3 0.482 4.458 3.960 0.027 0.000 0.180 546 G C 0.601 175.454 174.900 -0.079 0.000 1.279 546 G CA -0.073 44.957 45.100 -0.117 0.000 0.987 546 G HN 0.118 nan 8.290 nan 0.000 0.589 547 G N -1.327 107.430 108.800 -0.072 0.000 2.155 547 G HA2 -0.251 3.726 3.960 0.027 0.000 0.257 547 G HA3 -0.251 3.726 3.960 0.027 0.000 0.257 547 G C 0.431 175.315 174.900 -0.027 0.000 0.983 547 G CA 0.873 45.944 45.100 -0.048 0.000 0.676 547 G HN 0.664 nan 8.290 nan 0.000 0.528 548 R N -0.996 119.489 120.500 -0.025 0.000 2.670 548 R HA 0.548 4.904 4.340 0.027 0.000 0.289 548 R C -0.284 176.015 176.300 -0.001 0.000 0.965 548 R CA -0.925 55.168 56.100 -0.011 0.000 0.899 548 R CB 2.399 32.693 30.300 -0.010 0.000 1.173 548 R HN 0.040 nan 8.270 nan 0.000 0.456 549 V N 4.274 124.191 119.914 0.005 0.000 2.352 549 V HA -0.021 4.115 4.120 0.027 0.000 0.253 549 V C 1.318 177.430 176.094 0.029 0.000 1.083 549 V CA 0.178 62.485 62.300 0.012 0.000 0.993 549 V CB 0.887 32.709 31.823 -0.001 0.000 1.111 549 V HN 0.729 nan 8.190 nan 0.000 0.490 550 V N 3.197 123.145 119.914 0.057 0.000 3.573 550 V HA 0.379 4.515 4.120 0.027 0.000 0.270 550 V C 0.128 176.339 176.094 0.194 0.000 1.221 550 V CA 0.622 62.976 62.300 0.089 0.000 1.163 550 V CB -0.672 31.192 31.823 0.067 0.000 0.847 550 V HN 0.591 nan 8.190 nan 0.000 0.468 551 F N 0.856 120.802 119.950 -0.007 0.000 2.740 551 F HA 0.550 5.093 4.527 0.027 0.000 0.312 551 F C -1.698 174.081 175.800 -0.035 0.000 1.121 551 F CA -0.597 57.396 58.000 -0.013 0.000 0.977 551 F CB 1.054 40.049 39.000 -0.008 0.000 1.265 551 F HN 0.349 nan 8.300 nan 0.000 0.443 552 Q N 4.437 123.500 119.800 -1.228 0.000 2.320 552 Q HA 0.796 5.152 4.340 0.027 0.000 0.272 552 Q C -0.753 174.549 176.000 -1.163 0.000 1.023 552 Q CA -0.615 54.603 55.803 -0.974 0.000 0.855 552 Q CB 2.606 31.139 28.738 -0.341 0.000 1.367 552 Q HN 1.697 nan 8.270 nan 0.000 0.406 553 G N 0.937 109.180 108.800 -0.929 0.000 2.302 553 G HA2 0.173 4.149 3.960 0.027 0.000 0.264 553 G HA3 0.173 4.149 3.960 0.027 0.000 0.264 553 G C -0.662 174.169 174.900 -0.115 0.000 1.335 553 G CA -0.260 44.606 45.100 -0.391 0.000 0.982 553 G HN 1.149 nan 8.290 nan 0.000 0.473 554 T N -1.520 113.105 114.554 0.118 0.000 2.849 554 T HA 0.531 4.897 4.350 0.027 0.000 0.284 554 T C 1.711 176.527 174.700 0.194 0.000 1.004 554 T CA 0.485 62.675 62.100 0.150 0.000 1.021 554 T CB 1.405 70.348 68.868 0.126 0.000 1.013 554 T HN 1.196 nan 8.240 nan 0.000 0.527 555 V N 1.248 121.234 119.914 0.120 0.000 2.255 555 V HA -0.163 3.973 4.120 0.027 0.000 0.247 555 V C 2.602 178.733 176.094 0.061 0.000 1.051 555 V CA 2.196 64.544 62.300 0.079 0.000 1.018 555 V CB -0.976 30.881 31.823 0.058 0.000 0.641 555 V HN 0.887 nan 8.190 nan 0.000 0.445 556 D N -0.105 120.335 120.400 0.067 0.000 2.106 556 D HA -0.192 4.464 4.640 0.027 0.000 0.191 556 D C 2.264 178.603 176.300 0.065 0.000 0.997 556 D CA 1.614 55.647 54.000 0.054 0.000 0.834 556 D CB -0.266 40.566 40.800 0.054 0.000 0.956 556 D HN 0.567 nan 8.370 nan 0.000 0.448 557 E N -0.327 119.945 120.200 0.120 0.000 2.070 557 E HA -0.207 4.159 4.350 0.027 0.000 0.197 557 E C 2.091 178.765 176.600 0.123 0.000 1.004 557 E CA 0.645 57.149 56.400 0.174 0.000 0.805 557 E CB -0.183 29.688 29.700 0.286 0.000 0.744 557 E HN 0.150 nan 8.360 nan 0.000 0.451 558 L N 0.790 122.023 121.223 0.017 0.000 2.141 558 L HA -0.102 4.254 4.340 0.027 0.000 0.209 558 L C 2.313 179.044 176.870 -0.231 0.000 1.094 558 L CA 1.516 56.089 54.840 -0.445 0.000 0.763 558 L CB -0.426 41.204 42.059 -0.716 0.000 0.908 558 L HN 0.156 nan 8.230 nan 0.000 0.437 559 L N -1.889 119.275 121.223 -0.097 0.000 2.446 559 L HA 0.229 4.585 4.340 0.027 0.000 0.219 559 L C 2.650 179.499 176.870 -0.035 0.000 1.116 559 L CA 1.419 56.222 54.840 -0.061 0.000 0.844 559 L CB -2.201 39.839 42.059 -0.031 0.000 0.970 559 L HN 0.393 nan 8.230 nan 0.000 0.457 560 K N 0.252 120.643 120.400 -0.014 0.000 2.167 560 K HA 0.253 4.589 4.320 0.027 0.000 0.203 560 K C 1.060 177.661 176.600 0.001 0.000 1.052 560 K CA 1.350 57.640 56.287 0.004 0.000 0.956 560 K CB -1.135 31.382 32.500 0.028 0.000 0.735 560 K HN 1.315 nan 8.250 nan 0.000 0.451 561 N N 1.301 119.996 118.700 -0.008 0.000 2.722 561 N HA 0.312 5.068 4.740 0.027 0.000 0.242 561 N C -2.149 173.332 175.510 -0.048 0.000 1.398 561 N CA -0.480 52.567 53.050 -0.005 0.000 0.755 561 N CB 1.252 39.761 38.487 0.037 0.000 1.268 561 N HN 0.151 nan 8.380 nan 0.000 0.522 562 P HA 0.104 nan 4.420 nan 0.000 0.240 562 P C 0.914 178.174 177.300 -0.067 0.000 1.190 562 P CA 1.184 64.216 63.100 -0.113 0.000 0.781 562 P CB -0.243 31.403 31.700 -0.089 0.000 0.931 563 D N 0.833 121.212 120.400 -0.035 0.000 2.417 563 D HA -0.135 4.522 4.640 0.027 0.000 0.225 563 D C 1.818 178.116 176.300 -0.002 0.000 0.983 563 D CA 1.471 55.461 54.000 -0.016 0.000 0.949 563 D CB -0.799 39.998 40.800 -0.006 0.000 0.879 563 D HN 0.355 nan 8.370 nan 0.000 0.520 564 S N -1.184 114.513 115.700 -0.004 0.000 2.458 564 S HA 0.265 4.751 4.470 0.027 0.000 0.223 564 S C 1.097 175.716 174.600 0.033 0.000 1.019 564 S CA 0.586 58.805 58.200 0.032 0.000 0.937 564 S CB 0.129 63.380 63.200 0.085 0.000 0.788 564 S HN 0.950 nan 8.310 nan 0.000 0.511 565 S N -0.452 115.250 115.700 0.005 0.000 2.570 565 S HA 0.558 5.044 4.470 0.027 0.000 0.270 565 S C 0.059 174.696 174.600 0.062 0.000 1.149 565 S CA -0.887 57.332 58.200 0.031 0.000 0.837 565 S CB 1.225 64.450 63.200 0.043 0.000 1.124 565 S HN 0.129 nan 8.310 nan 0.000 0.465 566 L N 1.286 122.567 121.223 0.097 0.000 2.201 566 L HA 0.016 4.372 4.340 0.027 0.000 0.212 566 L C 2.191 179.307 176.870 0.410 0.000 1.105 566 L CA 1.690 56.652 54.840 0.202 0.000 0.775 566 L CB -0.544 41.592 42.059 0.129 0.000 0.913 566 L HN 0.974 nan 8.230 nan 0.000 0.440 567 T N -1.054 113.700 114.554 0.335 0.000 2.809 567 T HA -0.049 4.317 4.350 0.027 0.000 0.260 567 T C 1.697 176.553 174.700 0.261 0.000 1.039 567 T CA 0.971 63.335 62.100 0.440 0.000 1.141 567 T CB -0.585 68.481 68.868 0.330 0.000 0.869 567 T HN 0.545 nan 8.240 nan 0.000 0.437 568 G N 1.458 110.304 108.800 0.076 0.000 2.469 568 G HA2 -0.233 3.743 3.960 0.027 0.000 0.220 568 G HA3 -0.233 3.743 3.960 0.027 0.000 0.220 568 G C 1.464 176.364 174.900 0.000 0.000 1.136 568 G CA 0.757 45.827 45.100 -0.049 0.000 0.759 568 G HN 0.513 nan 8.290 nan 0.000 0.562 569 E N -0.778 119.449 120.200 0.046 0.000 2.112 569 E HA -0.032 4.335 4.350 0.027 0.000 0.190 569 E C 2.034 178.586 176.600 -0.079 0.000 0.979 569 E CA 0.400 56.782 56.400 -0.029 0.000 0.814 569 E CB -0.132 29.535 29.700 -0.056 0.000 0.762 569 E HN 0.601 nan 8.360 nan 0.000 0.460 570 Y N 0.678 120.971 120.300 -0.011 0.000 2.509 570 Y HA -0.074 4.490 4.550 0.024 0.000 0.293 570 Y C 1.940 177.684 175.900 -0.260 0.000 1.133 570 Y CA 0.677 58.679 58.100 -0.165 0.000 1.283 570 Y CB 0.174 38.499 38.460 -0.225 0.000 1.001 570 Y HN 0.009 nan 8.280 nan 0.000 0.555 571 L N -2.251 118.975 121.223 0.006 0.000 2.168 571 L HA -0.085 4.271 4.340 0.027 0.000 0.203 571 L C 2.546 179.385 176.870 -0.050 0.000 1.078 571 L CA 0.988 55.812 54.840 -0.028 0.000 0.780 571 L CB -0.705 41.370 42.059 0.026 0.000 0.939 571 L HN 0.022 nan 8.230 nan 0.000 0.451 572 S N -0.371 115.297 115.700 -0.053 0.000 2.399 572 S HA -0.104 4.382 4.470 0.027 0.000 0.231 572 S C 1.616 176.172 174.600 -0.074 0.000 1.022 572 S CA 1.718 59.882 58.200 -0.061 0.000 0.983 572 S CB -0.094 63.068 63.200 -0.063 0.000 0.803 572 S HN 0.676 nan 8.310 nan 0.000 0.480 573 G N 0.119 108.856 108.800 -0.105 0.000 2.316 573 G HA2 -0.203 3.773 3.960 0.027 0.000 0.203 573 G HA3 -0.203 3.773 3.960 0.027 0.000 0.203 573 G C 0.829 175.637 174.900 -0.154 0.000 0.999 573 G CA 0.540 45.569 45.100 -0.118 0.000 0.649 573 G HN 0.413 nan 8.290 nan 0.000 0.489 574 K N 0.556 120.866 120.400 -0.149 0.000 2.032 574 K HA -0.052 4.284 4.320 0.027 0.000 0.218 574 K C 1.504 177.964 176.600 -0.233 0.000 1.054 574 K CA 1.525 57.719 56.287 -0.155 0.000 0.941 574 K CB -0.144 32.279 32.500 -0.128 0.000 0.720 574 K HN 0.505 nan 8.250 nan 0.000 0.449 575 R N -0.249 120.003 120.500 -0.415 0.000 2.540 575 R HA 0.582 4.938 4.340 0.027 0.000 0.287 575 R C -0.148 175.744 176.300 -0.679 0.000 0.980 575 R CA -0.292 55.417 56.100 -0.652 0.000 0.966 575 R CB 1.680 31.305 30.300 -1.125 0.000 1.106 575 R HN 0.087 nan 8.270 nan 0.000 0.480 576 K N 1.904 122.079 120.400 -0.375 0.000 2.522 576 K HA 0.524 4.860 4.320 0.027 0.000 0.275 576 K C -0.916 175.711 176.600 0.046 0.000 1.006 576 K CA -0.661 55.551 56.287 -0.126 0.000 0.890 576 K CB 1.473 33.914 32.500 -0.097 0.000 1.475 576 K HN 0.544 nan 8.250 nan 0.000 0.441 577 I N 2.837 123.457 120.570 0.082 0.000 2.362 577 I HA 0.316 4.502 4.170 0.027 0.000 0.289 577 I C 0.802 176.949 176.117 0.051 0.000 0.994 577 I CA -0.824 60.532 61.300 0.095 0.000 1.158 577 I CB 1.759 39.820 38.000 0.101 0.000 1.315 577 I HN 0.882 nan 8.210 nan 0.000 0.451 578 T N 3.787 118.375 114.554 0.058 0.000 2.794 578 T HA 0.309 4.675 4.350 0.027 0.000 0.296 578 T C 0.043 174.776 174.700 0.056 0.000 0.949 578 T CA -0.620 61.507 62.100 0.046 0.000 1.101 578 T CB 0.932 69.829 68.868 0.048 0.000 0.905 578 T HN 0.262 nan 8.240 nan 0.000 0.516 579 V N 5.152 125.085 119.914 0.032 0.000 2.377 579 V HA 0.088 4.224 4.120 0.027 0.000 0.254 579 V C 1.175 177.284 176.094 0.025 0.000 1.060 579 V CA -0.812 61.504 62.300 0.026 0.000 1.068 579 V CB -1.573 30.252 31.823 0.005 0.000 1.113 579 V HN 1.083 nan 8.190 nan 0.000 0.484 580 N N 4.438 123.167 118.700 0.048 0.000 2.131 580 N HA -0.039 4.718 4.740 0.027 0.000 0.276 580 N C 0.892 176.385 175.510 -0.028 0.000 1.295 580 N CA 1.117 54.157 53.050 -0.017 0.000 0.818 580 N CB 0.673 39.077 38.487 -0.138 0.000 1.049 580 N HN 0.667 nan 8.380 nan 0.000 0.484 581 K N 1.891 122.275 120.400 -0.027 0.000 2.404 581 K HA 0.080 4.416 4.320 0.027 0.000 0.194 581 K C 0.847 177.434 176.600 -0.021 0.000 1.023 581 K CA 0.865 57.140 56.287 -0.019 0.000 1.094 581 K CB -0.340 32.153 32.500 -0.012 0.000 0.841 581 K HN 0.820 nan 8.250 nan 0.000 0.523 582 T N 0.057 114.592 114.554 -0.032 0.000 2.930 582 T HA 0.557 4.923 4.350 0.027 0.000 0.313 582 T C -0.651 174.033 174.700 -0.027 0.000 1.019 582 T CA -0.814 61.271 62.100 -0.025 0.000 1.004 582 T CB 0.677 69.531 68.868 -0.023 0.000 0.987 582 T HN 0.252 nan 8.240 nan 0.000 0.456 583 R N 2.668 123.161 120.500 -0.011 0.000 2.734 583 R HA 0.464 4.820 4.340 0.027 0.000 0.266 583 R C 0.675 176.984 176.300 0.014 0.000 1.044 583 R CA 0.005 56.107 56.100 0.003 0.000 1.128 583 R CB 0.229 30.538 30.300 0.014 0.000 1.010 583 R HN 0.639 nan 8.270 nan 0.000 0.461 584 R N 1.390 121.910 120.500 0.035 0.000 2.643 584 R HA 0.538 4.894 4.340 0.027 0.000 0.272 584 R C -0.495 175.833 176.300 0.047 0.000 0.995 584 R CA -0.722 55.407 56.100 0.048 0.000 1.032 584 R CB 1.026 31.371 30.300 0.076 0.000 1.126 584 R HN 0.340 nan 8.270 nan 0.000 0.505 585 L N 2.054 123.303 121.223 0.044 0.000 2.354 585 L HA 0.555 4.911 4.340 0.027 0.000 0.269 585 L C -2.141 174.751 176.870 0.037 0.000 1.005 585 L CA -2.328 52.528 54.840 0.026 0.000 0.819 585 L CB 1.792 43.862 42.059 0.018 0.000 1.311 585 L HN 0.386 nan 8.230 nan 0.000 0.423 586 P HA 0.096 nan 4.420 nan 0.000 0.273 586 P C -0.637 176.673 177.300 0.017 0.000 1.250 586 P CA -0.097 62.971 63.100 -0.053 0.000 0.793 586 P CB 0.313 31.935 31.700 -0.130 0.000 1.011 587 Y N -1.646 118.661 120.300 0.010 0.000 2.467 587 Y HA 0.756 5.322 4.550 0.026 0.000 0.259 587 Y C 0.338 176.240 175.900 0.004 0.000 1.084 587 Y CA -0.149 57.956 58.100 0.008 0.000 1.275 587 Y CB -0.141 38.326 38.460 0.012 0.000 1.208 587 Y HN 0.426 nan 8.280 nan 0.000 0.511 588 A N 0.572 123.176 122.820 -0.361 0.000 2.524 588 A HA 0.824 5.160 4.320 0.027 0.000 0.303 588 A C -1.047 176.388 177.584 -0.248 0.000 1.195 588 A CA -0.184 51.728 52.037 -0.207 0.000 0.651 588 A CB 0.773 19.702 19.000 -0.118 0.000 1.323 588 A HN 0.618 nan 8.150 nan 0.000 0.479 589 S N -0.612 115.002 115.700 -0.143 0.000 2.550 589 S HA 0.693 5.179 4.470 0.027 0.000 0.270 589 S C -1.620 172.946 174.600 -0.057 0.000 1.145 589 S CA -0.612 57.522 58.200 -0.110 0.000 0.852 589 S CB 1.501 64.652 63.200 -0.081 0.000 1.119 589 S HN 1.182 nan 8.310 nan 0.000 0.465 590 L N 1.657 122.859 121.223 -0.036 0.000 2.309 590 L HA 0.643 4.999 4.340 0.027 0.000 0.282 590 L C -0.668 176.210 176.870 0.014 0.000 1.036 590 L CA -0.214 54.626 54.840 0.001 0.000 0.806 590 L CB 1.365 43.425 42.059 0.002 0.000 1.220 590 L HN 0.955 nan 8.230 nan 0.000 0.429 591 K N 5.616 126.036 120.400 0.033 0.000 2.621 591 K HA 0.428 4.764 4.320 0.027 0.000 0.233 591 K C -0.676 175.958 176.600 0.055 0.000 0.972 591 K CA -0.265 56.046 56.287 0.041 0.000 0.988 591 K CB 2.141 34.666 32.500 0.043 0.000 1.187 591 K HN 0.500 nan 8.250 nan 0.000 0.471 592 I N 2.962 123.555 120.570 0.037 0.000 2.342 592 I HA 0.219 4.405 4.170 0.027 0.000 0.291 592 I C -0.991 175.182 176.117 0.093 0.000 1.010 592 I CA -0.229 61.099 61.300 0.046 0.000 1.308 592 I CB 0.377 38.328 38.000 -0.081 0.000 1.400 592 I HN 0.425 nan 8.210 nan 0.000 0.488 593 K N 5.373 125.875 120.400 0.170 0.000 2.324 593 K HA 0.583 4.919 4.320 0.027 0.000 0.253 593 K C 0.182 176.880 176.600 0.163 0.000 0.932 593 K CA -0.449 55.920 56.287 0.137 0.000 0.799 593 K CB 1.837 34.398 32.500 0.101 0.000 1.154 593 K HN 0.850 nan 8.250 nan 0.000 0.425 594 G N 0.786 109.655 108.800 0.115 0.000 2.182 594 G HA2 -0.220 3.756 3.960 0.027 0.000 0.248 594 G HA3 -0.220 3.756 3.960 0.027 0.000 0.248 594 G C -0.035 174.946 174.900 0.135 0.000 1.042 594 G CA -0.226 44.933 45.100 0.099 0.000 0.775 594 G HN 0.363 nan 8.290 nan 0.000 0.501 595 V N 0.017 120.017 119.914 0.143 0.000 2.425 595 V HA 0.246 4.382 4.120 0.027 0.000 0.276 595 V C 1.538 177.696 176.094 0.107 0.000 1.017 595 V CA 0.754 63.147 62.300 0.154 0.000 1.062 595 V CB 0.795 32.674 31.823 0.093 0.000 0.997 595 V HN 0.486 nan 8.190 nan 0.000 0.476 596 R N 1.267 121.844 120.500 0.128 0.000 2.476 596 R HA 0.144 4.500 4.340 0.027 0.000 0.276 596 R C 0.424 176.790 176.300 0.109 0.000 0.941 596 R CA -0.471 55.678 56.100 0.083 0.000 1.088 596 R CB 0.222 30.560 30.300 0.063 0.000 1.216 596 R HN 0.842 nan 8.270 nan 0.000 0.533 597 H N 2.211 121.304 119.070 0.039 0.000 3.094 597 H HA -0.038 4.534 4.556 0.027 0.000 0.320 597 H C 0.545 175.878 175.328 0.008 0.000 1.000 597 H CA 0.688 56.753 56.048 0.029 0.000 1.413 597 H CB 0.033 29.816 29.762 0.035 0.000 1.405 597 H HN 0.102 nan 8.280 nan 0.000 0.586 598 N N 2.321 120.833 118.700 -0.313 0.000 1.188 598 N HA -0.344 4.412 4.740 0.027 0.000 0.128 598 N C 0.911 176.334 175.510 -0.145 0.000 0.759 598 N CA 1.741 54.616 53.050 -0.293 0.000 0.905 598 N CB -1.132 37.084 38.487 -0.451 0.000 1.156 598 N HN 0.886 nan 8.380 nan 0.000 0.553 599 N N 1.894 120.512 118.700 -0.135 0.000 2.398 599 N HA 0.027 4.783 4.740 0.027 0.000 0.188 599 N C 0.079 175.511 175.510 -0.129 0.000 1.122 599 N CA 0.177 53.165 53.050 -0.103 0.000 0.866 599 N CB -0.309 38.133 38.487 -0.074 0.000 0.970 599 N HN 0.547 nan 8.380 nan 0.000 0.462 600 L N 1.298 122.454 121.223 -0.112 0.000 2.462 600 L HA 0.103 4.459 4.340 0.027 0.000 0.272 600 L C 0.623 177.408 176.870 -0.142 0.000 1.166 600 L CA -0.099 54.674 54.840 -0.111 0.000 0.880 600 L CB 0.419 42.454 42.059 -0.040 0.000 1.142 600 L HN -0.177 nan 8.230 nan 0.000 0.473 601 K N 3.875 124.121 120.400 -0.258 0.000 2.278 601 K HA 0.004 4.340 4.320 0.027 0.000 0.237 601 K C 0.245 176.775 176.600 -0.116 0.000 1.229 601 K CA -0.235 55.874 56.287 -0.297 0.000 1.155 601 K CB -0.735 31.314 32.500 -0.750 0.000 1.590 601 K HN 0.529 nan 8.250 nan 0.000 0.290 602 N N 1.753 120.424 118.700 -0.048 0.000 2.678 602 N HA -0.218 4.538 4.740 0.027 0.000 0.268 602 N C -0.227 175.299 175.510 0.026 0.000 1.010 602 N CA 0.437 53.492 53.050 0.007 0.000 0.784 602 N CB -1.050 37.445 38.487 0.014 0.000 0.905 602 N HN 0.672 nan 8.380 nan 0.000 0.552 603 I N -2.945 117.643 120.570 0.030 0.000 3.062 603 I HA 0.598 4.784 4.170 0.027 0.000 0.318 603 I C -0.363 175.791 176.117 0.062 0.000 1.026 603 I CA -0.619 60.709 61.300 0.047 0.000 1.096 603 I CB 1.406 39.429 38.000 0.039 0.000 1.348 603 I HN -0.050 nan 8.210 nan 0.000 0.543 604 D N 3.111 123.550 120.400 0.065 0.000 2.421 604 D HA 0.358 5.014 4.640 0.027 0.000 0.254 604 D C -0.970 175.368 176.300 0.063 0.000 1.238 604 D CA -0.105 53.934 54.000 0.066 0.000 0.919 604 D CB 2.431 43.269 40.800 0.063 0.000 1.152 604 D HN 0.248 nan 8.370 nan 0.000 0.552 605 V N 2.268 122.216 119.914 0.057 0.000 2.407 605 V HA 0.179 4.315 4.120 0.027 0.000 0.278 605 V C 0.302 176.428 176.094 0.054 0.000 1.037 605 V CA -0.473 61.861 62.300 0.057 0.000 0.900 605 V CB 1.824 33.673 31.823 0.043 0.000 0.983 605 V HN 0.400 nan 8.190 nan 0.000 0.459 606 E N 5.435 125.675 120.200 0.066 0.000 2.113 606 E HA 0.478 4.844 4.350 0.027 0.000 0.273 606 E C -1.098 175.538 176.600 0.061 0.000 0.924 606 E CA -0.572 55.856 56.400 0.046 0.000 0.764 606 E CB 1.142 30.858 29.700 0.025 0.000 1.104 606 E HN 0.631 nan 8.360 nan 0.000 0.406 607 I N 7.242 127.834 120.570 0.036 0.000 2.312 607 I HA 0.278 4.464 4.170 0.027 0.000 0.290 607 I C -2.164 173.945 176.117 -0.013 0.000 1.008 607 I CA -2.490 58.839 61.300 0.048 0.000 1.226 607 I CB 1.388 39.410 38.000 0.038 0.000 1.371 607 I HN 0.389 nan 8.210 nan 0.000 0.468 608 P HA 0.232 nan 4.420 nan 0.000 0.276 608 P C -0.828 176.412 177.300 -0.099 0.000 1.230 608 P CA -0.113 62.926 63.100 -0.103 0.000 0.776 608 P CB 0.614 32.236 31.700 -0.131 0.000 0.888 609 L N 1.646 122.727 121.223 -0.236 0.000 2.344 609 L HA 0.598 4.954 4.340 0.027 0.000 0.272 609 L C 1.508 178.184 176.870 -0.325 0.000 1.035 609 L CA -0.400 54.241 54.840 -0.332 0.000 0.807 609 L CB 0.807 42.514 42.059 -0.587 0.000 1.237 609 L HN 0.702 nan 8.230 nan 0.000 0.442 610 G N 1.456 110.237 108.800 -0.031 0.000 2.162 610 G HA2 -0.213 3.763 3.960 0.027 0.000 0.260 610 G HA3 -0.213 3.763 3.960 0.027 0.000 0.260 610 G C -0.105 174.891 174.900 0.159 0.000 0.976 610 G CA 0.293 45.531 45.100 0.230 0.000 0.655 610 G HN 0.685 nan 8.290 nan 0.000 0.533 611 V N -3.221 116.762 119.914 0.115 0.000 3.113 611 V HA 0.838 4.974 4.120 0.027 0.000 0.316 611 V C 0.293 176.528 176.094 0.236 0.000 1.125 611 V CA -1.737 60.664 62.300 0.167 0.000 1.026 611 V CB 2.072 33.979 31.823 0.139 0.000 1.080 611 V HN 0.601 nan 8.190 nan 0.000 0.444 612 F N 2.186 122.203 119.950 0.111 0.000 2.405 612 F HA 0.631 5.174 4.527 0.026 0.000 0.358 612 F C -0.176 175.684 175.800 0.100 0.000 1.151 612 F CA -0.638 57.429 58.000 0.112 0.000 1.161 612 F CB 0.689 39.784 39.000 0.158 0.000 1.245 612 F HN 0.451 nan 8.300 nan 0.000 0.545 613 V N 5.413 125.609 119.914 0.470 0.000 2.644 613 V HA 0.272 4.408 4.120 0.027 0.000 0.295 613 V C -0.113 176.164 176.094 0.304 0.000 1.053 613 V CA -0.617 61.871 62.300 0.314 0.000 0.987 613 V CB 1.430 33.378 31.823 0.209 0.000 1.006 613 V HN 0.807 nan 8.190 nan 0.000 0.472 614 C N 3.064 122.450 119.300 0.144 0.000 2.563 614 C HA 0.680 5.156 4.460 0.027 0.000 0.314 614 C C -0.125 174.869 174.990 0.006 0.000 1.199 614 C CA -0.606 58.463 59.018 0.084 0.000 1.564 614 C CB 1.741 29.501 27.740 0.033 0.000 2.173 614 C HN 0.645 nan 8.230 nan 0.000 0.485 615 V N 3.806 123.717 119.914 -0.005 0.000 2.357 615 V HA 0.591 4.727 4.120 0.027 0.000 0.284 615 V C 0.538 176.593 176.094 -0.066 0.000 1.018 615 V CA 0.056 62.338 62.300 -0.029 0.000 0.841 615 V CB 1.529 33.342 31.823 -0.017 0.000 0.991 615 V HN 1.115 nan 8.190 nan 0.000 0.437 616 T N 1.389 115.916 114.554 -0.047 0.000 2.804 616 T HA 0.981 5.347 4.350 0.027 0.000 0.272 616 T C 0.111 174.834 174.700 0.040 0.000 0.986 616 T CA -0.507 61.562 62.100 -0.052 0.000 0.999 616 T CB 1.978 70.840 68.868 -0.011 0.000 1.307 616 T HN 1.657 nan 8.240 nan 0.000 0.586 617 G N -0.365 108.543 108.800 0.179 0.000 2.453 617 G HA2 0.391 4.367 3.960 0.027 0.000 0.665 617 G HA3 0.391 4.367 3.960 0.027 0.000 0.665 617 G C -0.476 174.657 174.900 0.389 0.000 1.411 617 G CA -0.519 44.732 45.100 0.251 0.000 0.889 617 G HN 1.820 nan 8.290 nan 0.000 0.651 618 V N -0.070 119.937 119.914 0.156 0.000 3.178 618 V HA 0.567 4.703 4.120 0.027 0.000 0.306 618 V C 1.137 177.201 176.094 -0.051 0.000 1.107 618 V CA 0.435 62.717 62.300 -0.029 0.000 1.195 618 V CB 0.656 32.260 31.823 -0.365 0.000 0.993 618 V HN 1.670 nan 8.190 nan 0.000 0.493 619 S N 2.748 118.359 115.700 -0.149 0.000 2.558 619 S HA 0.405 4.891 4.470 0.027 0.000 0.293 619 S C 1.404 175.632 174.600 -0.621 0.000 1.292 619 S CA 0.429 58.492 58.200 -0.228 0.000 1.063 619 S CB 0.169 63.267 63.200 -0.170 0.000 0.831 619 S HN 2.396 nan 8.310 nan 0.000 0.499 620 G N 1.811 110.385 108.800 -0.377 0.000 2.176 620 G HA2 -0.344 3.632 3.960 0.027 0.000 0.253 620 G HA3 -0.344 3.632 3.960 0.027 0.000 0.253 620 G C 1.002 175.783 174.900 -0.198 0.000 0.979 620 G CA 0.575 45.452 45.100 -0.371 0.000 0.641 620 G HN 1.078 nan 8.290 nan 0.000 0.530 621 S N -0.492 115.119 115.700 -0.148 0.000 2.453 621 S HA 0.372 4.858 4.470 0.027 0.000 0.231 621 S C 2.156 176.736 174.600 -0.033 0.000 1.005 621 S CA 1.614 59.776 58.200 -0.062 0.000 0.949 621 S CB 0.098 63.291 63.200 -0.012 0.000 0.774 621 S HN 2.392 nan 8.310 nan 0.000 0.510 622 G N 1.044 109.827 108.800 -0.029 0.000 2.151 622 G HA2 -0.173 3.804 3.960 0.027 0.000 0.140 622 G HA3 -0.173 3.804 3.960 0.027 0.000 0.140 622 G C 0.616 175.513 174.900 -0.006 0.000 1.020 622 G CA 0.116 45.202 45.100 -0.024 0.000 0.688 622 G HN 0.445 nan 8.290 nan 0.000 0.500 623 K N 0.506 120.905 120.400 -0.002 0.000 1.991 623 K HA -0.042 4.294 4.320 0.027 0.000 0.212 623 K C 2.555 179.157 176.600 0.003 0.000 1.049 623 K CA 1.683 57.967 56.287 -0.005 0.000 0.932 623 K CB -0.371 32.111 32.500 -0.029 0.000 0.717 623 K HN 0.220 nan 8.250 nan 0.000 0.441 624 S N 0.828 116.533 115.700 0.009 0.000 2.383 624 S HA -0.121 4.365 4.470 0.027 0.000 0.229 624 S C 2.106 176.734 174.600 0.048 0.000 1.030 624 S CA 1.409 59.620 58.200 0.019 0.000 1.002 624 S CB -0.174 63.040 63.200 0.023 0.000 0.829 624 S HN 0.255 nan 8.310 nan 0.000 0.467 625 S N 1.549 117.278 115.700 0.048 0.000 2.359 625 S HA -0.139 4.347 4.470 0.027 0.000 0.223 625 S C 1.776 176.477 174.600 0.168 0.000 1.039 625 S CA 1.484 59.748 58.200 0.106 0.000 1.042 625 S CB -0.605 62.570 63.200 -0.042 0.000 0.915 625 S HN 0.432 nan 8.310 nan 0.000 0.439 626 L N 1.960 123.229 121.223 0.076 0.000 1.973 626 L HA -0.003 4.353 4.340 0.027 0.000 0.208 626 L C 2.255 179.139 176.870 0.024 0.000 1.073 626 L CA 1.727 56.596 54.840 0.048 0.000 0.746 626 L CB -0.880 41.193 42.059 0.023 0.000 0.891 626 L HN 0.157 nan 8.230 nan 0.000 0.433 627 V N -0.168 119.759 119.914 0.021 0.000 2.358 627 V HA -0.237 3.899 4.120 0.027 0.000 0.246 627 V C 2.393 178.508 176.094 0.036 0.000 1.047 627 V CA 2.024 64.335 62.300 0.018 0.000 1.035 627 V CB -0.554 31.276 31.823 0.012 0.000 0.658 627 V HN 0.478 nan 8.190 nan 0.000 0.452 628 M N -1.193 118.424 119.600 0.029 0.000 2.567 628 M HA 0.157 4.653 4.480 0.027 0.000 0.261 628 M C 1.605 177.933 176.300 0.046 0.000 1.180 628 M CA 0.876 56.181 55.300 0.009 0.000 1.143 628 M CB -0.196 32.377 32.600 -0.044 0.000 1.319 628 M HN 0.369 nan 8.290 nan 0.000 0.490 629 E N -0.370 119.867 120.200 0.061 0.000 2.498 629 E HA 0.099 4.465 4.350 0.027 0.000 0.203 629 E C 0.785 177.330 176.600 -0.093 0.000 1.013 629 E CA 0.326 56.745 56.400 0.031 0.000 0.927 629 E CB 0.742 30.539 29.700 0.161 0.000 1.012 629 E HN 0.353 nan 8.360 nan 0.000 0.482 630 T N 0.098 114.617 114.554 -0.057 0.000 3.425 630 T HA -0.000 4.366 4.350 0.027 0.000 0.225 630 T C 1.421 175.988 174.700 -0.220 0.000 0.992 630 T CA -0.375 61.622 62.100 -0.172 0.000 1.174 630 T CB -0.399 68.378 68.868 -0.153 0.000 1.240 630 T HN -0.042 nan 8.240 nan 0.000 0.350 631 L N 1.090 122.211 121.223 -0.171 0.000 2.051 631 L HA -0.100 4.256 4.340 0.027 0.000 0.214 631 L C 2.148 178.951 176.870 -0.111 0.000 1.076 631 L CA 1.979 56.718 54.840 -0.169 0.000 0.758 631 L CB -0.866 41.147 42.059 -0.078 0.000 0.890 631 L HN 0.450 nan 8.230 nan 0.000 0.433 632 Y N 0.565 120.783 120.300 -0.136 0.000 2.109 632 Y HA -0.099 4.466 4.550 0.025 0.000 0.285 632 Y C -0.470 175.351 175.900 -0.132 0.000 1.131 632 Y CA 1.858 59.888 58.100 -0.117 0.000 1.121 632 Y CB -1.610 36.799 38.460 -0.085 0.000 0.987 632 Y HN 0.203 nan 8.280 nan 0.000 0.495 633 P HA -0.214 nan 4.420 nan 0.000 0.215 633 P C 1.411 178.563 177.300 -0.247 0.000 1.153 633 P CA 2.546 65.527 63.100 -0.199 0.000 0.853 633 P CB -0.371 31.301 31.700 -0.048 0.000 0.788 634 A N -0.356 122.331 122.820 -0.222 0.000 1.883 634 A HA -0.200 4.136 4.320 0.027 0.000 0.217 634 A C 2.268 179.725 177.584 -0.210 0.000 1.186 634 A CA 1.688 53.606 52.037 -0.198 0.000 0.624 634 A CB -1.696 17.066 19.000 -0.397 0.000 0.822 634 A HN 0.109 nan 8.150 nan 0.000 0.444 635 L N -1.416 119.649 121.223 -0.263 0.000 2.017 635 L HA -0.200 4.156 4.340 0.027 0.000 0.208 635 L C 2.764 179.456 176.870 -0.296 0.000 1.073 635 L CA 1.118 55.812 54.840 -0.243 0.000 0.745 635 L CB -0.580 41.349 42.059 -0.217 0.000 0.894 635 L HN 0.311 nan 8.230 nan 0.000 0.432 636 M N 0.093 119.416 119.600 -0.461 0.000 2.192 636 M HA -0.223 4.273 4.480 0.027 0.000 0.259 636 M C 1.815 177.930 176.300 -0.307 0.000 1.071 636 M CA 1.655 56.630 55.300 -0.542 0.000 1.082 636 M CB -1.309 30.902 32.600 -0.648 0.000 1.373 636 M HN 0.347 nan 8.290 nan 0.000 0.408 637 N N -0.685 117.895 118.700 -0.200 0.000 2.336 637 N HA 0.028 4.784 4.740 0.027 0.000 0.177 637 N C 1.511 176.980 175.510 -0.068 0.000 1.018 637 N CA 0.568 53.560 53.050 -0.097 0.000 0.878 637 N CB -0.161 38.284 38.487 -0.070 0.000 0.997 637 N HN 0.239 nan 8.380 nan 0.000 0.433 638 L N 0.613 121.768 121.223 -0.113 0.000 2.610 638 L HA 0.174 4.530 4.340 0.027 0.000 0.232 638 L C 1.425 178.288 176.870 -0.011 0.000 1.149 638 L CA 0.687 55.447 54.840 -0.133 0.000 0.872 638 L CB -0.471 41.359 42.059 -0.381 0.000 0.992 638 L HN 0.163 nan 8.230 nan 0.000 0.447 639 L N -2.171 119.063 121.223 0.019 0.000 2.526 639 L HA 0.039 4.395 4.340 0.027 0.000 0.210 639 L C 1.398 178.461 176.870 0.322 0.000 1.048 639 L CA 0.109 55.041 54.840 0.154 0.000 0.852 639 L CB 0.118 42.245 42.059 0.114 0.000 1.128 639 L HN 0.196 nan 8.230 nan 0.000 0.482 640 H N -0.154 118.885 119.070 -0.052 0.000 2.672 640 H HA 0.242 4.813 4.556 0.026 0.000 0.277 640 H C 1.048 176.355 175.328 -0.036 0.000 1.074 640 H CA 0.065 56.087 56.048 -0.043 0.000 1.173 640 H CB 0.060 29.790 29.762 -0.054 0.000 1.558 640 H HN 0.116 nan 8.280 nan 0.000 0.539 641 K N 0.738 121.186 120.400 0.080 0.000 2.975 641 K HA -0.202 4.134 4.320 0.027 0.000 0.257 641 K C 0.831 177.446 176.600 0.025 0.000 1.005 641 K CA 1.276 57.583 56.287 0.033 0.000 0.738 641 K CB -3.102 29.412 32.500 0.023 0.000 1.236 641 K HN 0.701 nan 8.250 nan 0.000 0.483 642 T N -2.505 112.065 114.554 0.026 0.000 2.881 642 T HA 0.612 4.978 4.350 0.027 0.000 0.278 642 T C 0.444 175.138 174.700 -0.010 0.000 0.982 642 T CA -0.185 61.922 62.100 0.012 0.000 0.989 642 T CB 1.317 70.195 68.868 0.018 0.000 1.058 642 T HN 0.761 nan 8.240 nan 0.000 0.529 643 K N 1.716 122.111 120.400 -0.010 0.000 2.655 643 K HA 0.420 4.756 4.320 0.027 0.000 0.213 643 K C -0.589 176.002 176.600 -0.016 0.000 1.126 643 K CA -0.576 55.703 56.287 -0.014 0.000 1.076 643 K CB -0.132 32.362 32.500 -0.010 0.000 1.644 643 K HN 0.458 nan 8.250 nan 0.000 0.523 644 L N 2.049 123.257 121.223 -0.025 0.000 2.350 644 L HA 0.372 4.728 4.340 0.027 0.000 0.275 644 L C -1.995 174.864 176.870 -0.019 0.000 1.099 644 L CA -2.286 52.541 54.840 -0.022 0.000 0.808 644 L CB 0.718 42.756 42.059 -0.035 0.000 1.149 644 L HN 0.248 nan 8.230 nan 0.000 0.442 645 P HA 0.319 nan 4.420 nan 0.000 0.269 645 P C -1.043 176.237 177.300 -0.034 0.000 1.215 645 P CA -0.218 62.869 63.100 -0.021 0.000 0.780 645 P CB 0.969 32.656 31.700 -0.022 0.000 0.898 646 A N 1.184 123.975 122.820 -0.047 0.000 2.602 646 A HA 0.712 5.048 4.320 0.027 0.000 0.290 646 A C -0.136 177.350 177.584 -0.164 0.000 1.114 646 A CA -0.336 51.648 52.037 -0.089 0.000 0.683 646 A CB 0.892 19.879 19.000 -0.022 0.000 1.281 646 A HN 0.588 nan 8.150 nan 0.000 0.416 647 G N -0.335 108.268 108.800 -0.328 0.000 2.544 647 G HA2 0.445 4.421 3.960 0.027 0.000 0.242 647 G HA3 0.445 4.421 3.960 0.027 0.000 0.242 647 G C 0.053 174.995 174.900 0.071 0.000 1.247 647 G CA 0.022 44.853 45.100 -0.449 0.000 0.840 647 G HN 0.884 nan 8.290 nan 0.000 0.578 648 E N 0.147 120.431 120.200 0.140 0.000 2.415 648 E HA 0.375 4.741 4.350 0.027 0.000 0.263 648 E C -0.336 176.455 176.600 0.318 0.000 0.995 648 E CA -0.060 56.452 56.400 0.186 0.000 0.915 648 E CB 0.183 29.954 29.700 0.117 0.000 0.951 648 E HN 0.401 nan 8.360 nan 0.000 0.449 649 F N 1.835 121.782 119.950 -0.005 0.000 2.773 649 F HA 0.347 4.891 4.527 0.028 0.000 0.314 649 F C -0.384 175.411 175.800 -0.007 0.000 1.160 649 F CA -0.979 57.020 58.000 -0.001 0.000 0.920 649 F CB 0.840 39.837 39.000 -0.005 0.000 1.323 649 F HN 0.216 nan 8.300 nan 0.000 0.457 650 D N 0.487 120.835 120.400 -0.087 0.000 2.259 650 D HA 0.163 4.819 4.640 0.027 0.000 0.216 650 D C 0.188 176.358 176.300 -0.217 0.000 0.961 650 D CA 1.809 55.704 54.000 -0.175 0.000 0.878 650 D CB 0.603 41.387 40.800 -0.027 0.000 1.009 650 D HN 0.621 nan 8.370 nan 0.000 0.490 651 S N -0.815 114.919 115.700 0.055 0.000 2.595 651 S HA 0.557 5.043 4.470 0.027 0.000 0.270 651 S C -1.228 173.560 174.600 0.313 0.000 1.145 651 S CA -0.987 57.291 58.200 0.131 0.000 0.825 651 S CB 1.277 64.511 63.200 0.058 0.000 1.107 651 S HN 0.019 nan 8.310 nan 0.000 0.461 652 I N 0.714 121.423 120.570 0.232 0.000 2.608 652 I HA 0.582 4.768 4.170 0.027 0.000 0.295 652 I C -0.753 175.454 176.117 0.151 0.000 1.049 652 I CA -0.620 60.776 61.300 0.160 0.000 1.063 652 I CB 2.291 40.347 38.000 0.093 0.000 1.248 652 I HN 0.725 nan 8.210 nan 0.000 0.424 653 E N 3.146 123.430 120.200 0.139 0.000 2.263 653 E HA 0.489 4.855 4.350 0.027 0.000 0.268 653 E C -0.011 176.654 176.600 0.108 0.000 0.884 653 E CA -0.547 55.933 56.400 0.133 0.000 0.766 653 E CB 2.159 31.908 29.700 0.082 0.000 1.196 653 E HN 0.967 nan 8.360 nan 0.000 0.416 654 G N 2.784 111.637 108.800 0.088 0.000 2.142 654 G HA2 -0.274 3.702 3.960 0.027 0.000 0.225 654 G HA3 -0.274 3.702 3.960 0.027 0.000 0.225 654 G C 0.607 175.513 174.900 0.009 0.000 1.015 654 G CA 0.422 45.528 45.100 0.011 0.000 0.716 654 G HN 0.836 nan 8.290 nan 0.000 0.508 655 H N -0.115 118.962 119.070 0.012 0.000 2.555 655 H HA 0.131 4.703 4.556 0.026 0.000 0.269 655 H C 1.534 176.872 175.328 0.017 0.000 0.988 655 H CA 1.288 57.340 56.048 0.006 0.000 1.178 655 H CB 0.165 29.928 29.762 0.001 0.000 1.373 655 H HN 0.501 nan 8.280 nan 0.000 0.588 656 E N 1.012 120.971 120.200 -0.402 0.000 2.481 656 E HA -0.030 4.336 4.350 0.027 0.000 0.195 656 E C 1.134 177.697 176.600 -0.061 0.000 1.047 656 E CA 0.195 56.446 56.400 -0.249 0.000 0.867 656 E CB 0.057 29.593 29.700 -0.274 0.000 0.858 656 E HN 0.438 nan 8.360 nan 0.000 0.513 657 N N 0.841 119.536 118.700 -0.009 0.000 2.461 657 N HA 0.074 4.830 4.740 0.027 0.000 0.188 657 N C 0.053 175.645 175.510 0.137 0.000 1.134 657 N CA 0.356 53.466 53.050 0.101 0.000 0.878 657 N CB 0.121 38.675 38.487 0.112 0.000 0.972 657 N HN 0.323 nan 8.380 nan 0.000 0.456 658 I N -2.460 118.155 120.570 0.076 0.000 2.647 658 I HA 0.407 4.593 4.170 0.027 0.000 0.295 658 I C -0.433 175.716 176.117 0.053 0.000 1.078 658 I CA -0.990 60.355 61.300 0.076 0.000 1.048 658 I CB 2.168 40.202 38.000 0.055 0.000 1.239 658 I HN -0.243 nan 8.210 nan 0.000 0.421 659 D N 2.202 122.628 120.400 0.043 0.000 2.527 659 D HA 0.427 5.083 4.640 0.027 0.000 0.224 659 D C 0.130 176.451 176.300 0.036 0.000 1.217 659 D CA 0.157 54.180 54.000 0.038 0.000 0.819 659 D CB 0.340 41.155 40.800 0.025 0.000 1.061 659 D HN 0.887 nan 8.370 nan 0.000 0.515 660 K N 0.246 120.656 120.400 0.017 0.000 2.578 660 K HA 0.677 5.014 4.320 0.027 0.000 0.269 660 K C -1.763 174.798 176.600 -0.066 0.000 0.941 660 K CA -0.663 55.629 56.287 0.008 0.000 0.847 660 K CB 1.588 34.081 32.500 -0.011 0.000 1.397 660 K HN 0.184 nan 8.250 nan 0.000 0.422 661 M N 3.472 123.026 119.600 -0.075 0.000 2.204 661 M HA 0.670 5.166 4.480 0.027 0.000 0.293 661 M C -1.673 174.556 176.300 -0.119 0.000 0.994 661 M CA -0.867 54.349 55.300 -0.140 0.000 0.925 661 M CB 0.819 33.336 32.600 -0.138 0.000 1.577 661 M HN 0.682 nan 8.290 nan 0.000 0.439 662 I N 4.137 124.579 120.570 -0.214 0.000 2.377 662 I HA 0.699 4.885 4.170 0.027 0.000 0.293 662 I C -0.294 175.833 176.117 0.017 0.000 0.987 662 I CA -0.558 60.676 61.300 -0.109 0.000 1.185 662 I CB 1.901 39.769 38.000 -0.220 0.000 1.341 662 I HN 0.801 nan 8.210 nan 0.000 0.455 663 A N 7.621 130.493 122.820 0.087 0.000 2.371 663 A HA 0.859 5.195 4.320 0.027 0.000 0.311 663 A C -0.777 176.809 177.584 0.002 0.000 1.068 663 A CA -0.454 51.608 52.037 0.041 0.000 0.744 663 A CB 1.073 20.041 19.000 -0.054 0.000 1.239 663 A HN 0.667 nan 8.150 nan 0.000 0.435 664 I N 3.247 123.813 120.570 -0.006 0.000 2.521 664 I HA 0.259 4.445 4.170 0.027 0.000 0.277 664 I C -0.763 175.331 176.117 -0.039 0.000 1.054 664 I CA -0.726 60.570 61.300 -0.006 0.000 1.117 664 I CB 1.267 39.285 38.000 0.029 0.000 1.217 664 I HN 0.790 nan 8.210 nan 0.000 0.469 665 D N 4.298 124.658 120.400 -0.067 0.000 2.478 665 D HA 0.104 4.761 4.640 0.027 0.000 0.274 665 D C 0.653 176.932 176.300 -0.035 0.000 1.234 665 D CA -0.402 53.556 54.000 -0.069 0.000 1.069 665 D CB 0.747 41.485 40.800 -0.103 0.000 1.113 665 D HN 0.216 nan 8.370 nan 0.000 0.571 666 Q N -0.676 119.107 119.800 -0.028 0.000 2.403 666 Q HA 0.085 4.441 4.340 0.027 0.000 0.203 666 Q C 0.137 176.132 176.000 -0.008 0.000 0.932 666 Q CA 0.033 55.828 55.803 -0.013 0.000 0.945 666 Q CB -0.316 28.418 28.738 -0.006 0.000 1.045 666 Q HN 0.597 nan 8.270 nan 0.000 0.511 667 S N 1.843 117.537 115.700 -0.009 0.000 2.569 667 S HA 0.240 4.726 4.470 0.027 0.000 0.274 667 S C -2.311 172.292 174.600 0.005 0.000 1.353 667 S CA -0.943 57.257 58.200 0.001 0.000 1.023 667 S CB 0.069 63.270 63.200 0.001 0.000 0.876 667 S HN 0.011 nan 8.310 nan 0.000 0.540 668 P HA 0.485 nan 4.420 nan 0.000 0.284 668 P C -0.691 176.615 177.300 0.010 0.000 1.258 668 P CA -0.979 62.124 63.100 0.004 0.000 0.824 668 P CB 0.309 32.013 31.700 0.008 0.000 1.038 669 I N 1.249 121.811 120.570 -0.014 0.000 2.683 669 I HA 0.151 4.337 4.170 0.027 0.000 0.286 669 I C 1.522 177.654 176.117 0.026 0.000 1.175 669 I CA 0.738 62.030 61.300 -0.014 0.000 1.429 669 I CB -0.479 37.429 38.000 -0.153 0.000 1.371 669 I HN 0.407 nan 8.210 nan 0.000 0.569 670 G N 6.889 115.742 108.800 0.089 0.000 2.248 670 G HA2 0.073 4.049 3.960 0.027 0.000 0.260 670 G HA3 0.073 4.049 3.960 0.027 0.000 0.260 670 G C 0.167 175.109 174.900 0.071 0.000 1.214 670 G CA -0.488 44.662 45.100 0.083 0.000 0.979 670 G HN 0.562 nan 8.290 nan 0.000 0.454 671 R N 2.023 122.543 120.500 0.034 0.000 2.198 671 R HA 0.406 4.762 4.340 0.027 0.000 0.339 671 R C 0.263 176.575 176.300 0.019 0.000 1.020 671 R CA -0.224 55.886 56.100 0.016 0.000 0.864 671 R CB 0.939 31.235 30.300 -0.007 0.000 1.105 671 R HN 0.673 nan 8.270 nan 0.000 0.463 672 T N -0.482 114.089 114.554 0.028 0.000 2.907 672 T HA 0.418 4.784 4.350 0.027 0.000 0.290 672 T C -2.244 172.459 174.700 0.006 0.000 1.066 672 T CA -1.939 60.172 62.100 0.018 0.000 1.012 672 T CB 2.243 71.131 68.868 0.032 0.000 1.184 672 T HN 0.169 nan 8.240 nan 0.000 0.522 673 P HA 0.215 nan 4.420 nan 0.000 0.235 673 P C 1.015 178.286 177.300 -0.049 0.000 1.177 673 P CA 0.161 63.235 63.100 -0.043 0.000 0.785 673 P CB 0.186 31.856 31.700 -0.049 0.000 0.885 674 R N -0.222 120.289 120.500 0.018 0.000 2.328 674 R HA 0.193 4.549 4.340 0.027 0.000 0.206 674 R C 0.453 176.879 176.300 0.210 0.000 0.990 674 R CA 0.319 56.500 56.100 0.135 0.000 1.085 674 R CB -0.205 30.160 30.300 0.109 0.000 0.998 674 R HN 0.120 nan 8.270 nan 0.000 0.484 675 S N 1.047 116.825 115.700 0.130 0.000 2.547 675 S HA 0.410 4.896 4.470 0.027 0.000 0.281 675 S C -1.130 173.524 174.600 0.089 0.000 1.118 675 S CA -0.947 57.329 58.200 0.127 0.000 0.947 675 S CB 1.122 64.406 63.200 0.141 0.000 1.053 675 S HN 0.370 nan 8.310 nan 0.000 0.482 676 N N 3.511 122.257 118.700 0.077 0.000 2.831 676 N HA 0.639 5.395 4.740 0.027 0.000 0.276 676 N C -2.703 172.833 175.510 0.042 0.000 1.416 676 N CA -1.808 51.259 53.050 0.028 0.000 0.799 676 N CB 0.048 38.535 38.487 -0.001 0.000 1.554 676 N HN 0.191 nan 8.380 nan 0.000 0.541 677 P HA -0.181 nan 4.420 nan 0.000 0.216 677 P C 1.076 178.419 177.300 0.072 0.000 1.157 677 P CA 2.831 65.948 63.100 0.029 0.000 0.880 677 P CB -0.171 31.523 31.700 -0.010 0.000 0.791 678 A N -0.637 122.205 122.820 0.037 0.000 1.940 678 A HA -0.212 4.124 4.320 0.027 0.000 0.219 678 A C 2.247 179.886 177.584 0.091 0.000 1.176 678 A CA 2.716 54.797 52.037 0.074 0.000 0.631 678 A CB -1.928 17.118 19.000 0.077 0.000 0.814 678 A HN 0.378 nan 8.150 nan 0.000 0.446 679 T N -4.604 109.949 114.554 -0.002 0.000 2.978 679 T HA -0.085 4.281 4.350 0.027 0.000 0.262 679 T C 1.826 176.556 174.700 0.049 0.000 1.063 679 T CA 1.282 63.385 62.100 0.005 0.000 1.140 679 T CB -0.454 68.362 68.868 -0.086 0.000 0.886 679 T HN 0.398 nan 8.240 nan 0.000 0.470 680 Y N 3.165 123.458 120.300 -0.012 0.000 2.220 680 Y HA -0.036 4.529 4.550 0.025 0.000 0.291 680 Y C 2.633 178.537 175.900 0.007 0.000 1.129 680 Y CA 1.882 59.980 58.100 -0.003 0.000 1.161 680 Y CB -0.315 38.142 38.460 -0.005 0.000 0.997 680 Y HN 0.410 nan 8.280 nan 0.000 0.522 681 T N -2.872 111.804 114.554 0.202 0.000 3.169 681 T HA 0.125 4.491 4.350 0.027 0.000 0.250 681 T C 0.877 175.609 174.700 0.053 0.000 1.111 681 T CA 0.500 62.675 62.100 0.126 0.000 1.010 681 T CB -0.209 68.733 68.868 0.124 0.000 0.984 681 T HN 0.389 nan 8.240 nan 0.000 0.537 682 K N -0.840 119.583 120.400 0.039 0.000 3.572 682 K HA -0.215 4.121 4.320 0.027 0.000 0.306 682 K C 1.284 177.903 176.600 0.032 0.000 1.286 682 K CA 0.841 57.142 56.287 0.023 0.000 1.010 682 K CB -2.342 30.151 32.500 -0.011 0.000 1.268 682 K HN 0.382 nan 8.250 nan 0.000 0.438 683 V N 1.047 120.984 119.914 0.038 0.000 2.453 683 V HA -0.241 3.895 4.120 0.027 0.000 0.252 683 V C 1.794 177.879 176.094 -0.014 0.000 1.068 683 V CA 2.418 64.713 62.300 -0.007 0.000 1.070 683 V CB -0.441 31.374 31.823 -0.014 0.000 0.664 683 V HN 0.415 nan 8.190 nan 0.000 0.461 684 F N 1.043 120.938 119.950 -0.092 0.000 2.250 684 F HA -0.186 4.357 4.527 0.025 0.000 0.301 684 F C 1.907 177.643 175.800 -0.107 0.000 1.077 684 F CA 2.075 60.012 58.000 -0.105 0.000 1.348 684 F CB -0.128 38.821 39.000 -0.086 0.000 1.040 684 F HN 0.325 nan 8.300 nan 0.000 0.509 685 D N 0.448 120.828 120.400 -0.032 0.000 2.078 685 D HA -0.205 4.452 4.640 0.027 0.000 0.193 685 D C 2.035 178.235 176.300 -0.167 0.000 0.990 685 D CA 1.883 55.829 54.000 -0.091 0.000 0.827 685 D CB -0.519 40.258 40.800 -0.039 0.000 0.975 685 D HN 0.381 nan 8.370 nan 0.000 0.451 686 E N 0.069 120.177 120.200 -0.153 0.000 2.171 686 E HA -0.144 4.223 4.350 0.027 0.000 0.197 686 E C 2.182 178.625 176.600 -0.262 0.000 0.997 686 E CA 0.647 56.941 56.400 -0.176 0.000 0.810 686 E CB -0.116 29.488 29.700 -0.160 0.000 0.738 686 E HN 0.368 nan 8.360 nan 0.000 0.467 687 I N 0.387 120.736 120.570 -0.369 0.000 2.500 687 I HA -0.168 4.018 4.170 0.027 0.000 0.252 687 I C 2.360 178.212 176.117 -0.442 0.000 1.142 687 I CA 0.700 61.731 61.300 -0.448 0.000 1.451 687 I CB -0.153 37.513 38.000 -0.557 0.000 1.093 687 I HN 0.013 nan 8.210 nan 0.000 0.430 688 R N 0.339 120.518 120.500 -0.535 0.000 2.115 688 R HA -0.080 4.276 4.340 0.027 0.000 0.230 688 R C 2.466 178.653 176.300 -0.188 0.000 1.111 688 R CA 1.418 57.281 56.100 -0.396 0.000 0.976 688 R CB -0.172 29.958 30.300 -0.283 0.000 0.870 688 R HN 0.276 nan 8.270 nan 0.000 0.445 689 S N 1.387 116.996 115.700 -0.151 0.000 2.371 689 S HA -0.085 4.401 4.470 0.027 0.000 0.224 689 S C 1.866 176.403 174.600 -0.104 0.000 1.029 689 S CA 0.688 58.839 58.200 -0.081 0.000 0.978 689 S CB -0.158 62.998 63.200 -0.074 0.000 0.833 689 S HN 0.298 nan 8.310 nan 0.000 0.466 690 L N 0.229 121.359 121.223 -0.155 0.000 2.012 690 L HA -0.130 4.226 4.340 0.027 0.000 0.210 690 L C 2.002 178.731 176.870 -0.236 0.000 1.073 690 L CA 1.677 56.402 54.840 -0.192 0.000 0.748 690 L CB -0.308 41.602 42.059 -0.248 0.000 0.891 690 L HN 0.198 nan 8.230 nan 0.000 0.431 691 F N 0.242 119.904 119.950 -0.481 0.000 2.234 691 F HA -0.100 4.442 4.527 0.025 0.000 0.299 691 F C 2.447 177.911 175.800 -0.559 0.000 1.087 691 F CA 1.110 58.679 58.000 -0.718 0.000 1.340 691 F CB -0.496 37.677 39.000 -1.378 0.000 1.031 691 F HN 0.161 nan 8.300 nan 0.000 0.500 692 A N -1.319 121.424 122.820 -0.127 0.000 2.238 692 A HA 0.035 4.371 4.320 0.027 0.000 0.208 692 A C 1.952 179.614 177.584 0.129 0.000 1.177 692 A CA 0.570 52.760 52.037 0.255 0.000 0.804 692 A CB -0.617 18.569 19.000 0.310 0.000 0.823 692 A HN 0.406 nan 8.150 nan 0.000 0.482 693 M N -1.269 118.342 119.600 0.019 0.000 2.514 693 M HA 0.050 4.546 4.480 0.027 0.000 0.258 693 M C 0.242 176.548 176.300 0.009 0.000 1.159 693 M CA 0.245 55.551 55.300 0.010 0.000 1.116 693 M CB 0.371 32.956 32.600 -0.024 0.000 1.333 693 M HN 0.182 nan 8.290 nan 0.000 0.487 694 T N 2.574 117.120 114.554 -0.014 0.000 2.903 694 T HA -0.066 4.300 4.350 0.027 0.000 0.299 694 T C -1.842 172.874 174.700 0.027 0.000 1.041 694 T CA -0.527 61.571 62.100 -0.004 0.000 1.138 694 T CB 0.303 69.153 68.868 -0.031 0.000 1.040 694 T HN 0.094 nan 8.240 nan 0.000 0.524 695 P HA -0.172 nan 4.420 nan 0.000 0.216 695 P C 1.480 178.783 177.300 0.005 0.000 1.153 695 P CA 1.368 64.471 63.100 0.005 0.000 0.858 695 P CB -0.009 31.687 31.700 -0.007 0.000 0.789 696 A N -0.206 122.623 122.820 0.014 0.000 1.908 696 A HA -0.152 4.184 4.320 0.027 0.000 0.218 696 A C 2.288 179.859 177.584 -0.022 0.000 1.181 696 A CA 2.284 54.324 52.037 0.006 0.000 0.627 696 A CB -1.561 17.465 19.000 0.043 0.000 0.818 696 A HN 0.231 nan 8.150 nan 0.000 0.445 697 A N -0.976 121.896 122.820 0.086 0.000 2.072 697 A HA 0.042 4.378 4.320 0.027 0.000 0.216 697 A C 2.035 179.664 177.584 0.074 0.000 1.156 697 A CA 1.135 53.264 52.037 0.153 0.000 0.701 697 A CB -0.184 19.157 19.000 0.569 0.000 0.816 697 A HN 0.469 nan 8.150 nan 0.000 0.458 698 K N -0.059 120.372 120.400 0.052 0.000 2.116 698 K HA 0.034 4.370 4.320 0.027 0.000 0.203 698 K C 2.311 178.897 176.600 -0.023 0.000 1.052 698 K CA 0.972 57.276 56.287 0.028 0.000 0.952 698 K CB -0.295 32.220 32.500 0.026 0.000 0.729 698 K HN 0.397 nan 8.250 nan 0.000 0.446 699 A N 2.350 125.140 122.820 -0.050 0.000 1.908 699 A HA -0.165 4.171 4.320 0.027 0.000 0.218 699 A C 1.391 178.904 177.584 -0.118 0.000 1.181 699 A CA 1.053 53.048 52.037 -0.071 0.000 0.627 699 A CB -0.328 18.632 19.000 -0.068 0.000 0.818 699 A HN 0.230 nan 8.150 nan 0.000 0.445 700 R N -2.081 118.279 120.500 -0.234 0.000 2.571 700 R HA 0.389 4.745 4.340 0.027 0.000 0.259 700 R C 1.647 177.836 176.300 -0.185 0.000 1.226 700 R CA -0.010 55.890 56.100 -0.333 0.000 1.157 700 R CB -0.164 29.626 30.300 -0.851 0.000 1.220 700 R HN 0.188 nan 8.270 nan 0.000 0.605 701 G N -0.048 108.701 108.800 -0.085 0.000 2.471 701 G HA2 -0.162 3.814 3.960 0.027 0.000 0.219 701 G HA3 -0.162 3.814 3.960 0.027 0.000 0.219 701 G C 0.221 175.227 174.900 0.177 0.000 1.125 701 G CA 0.031 45.170 45.100 0.065 0.000 0.775 701 G HN 0.476 nan 8.290 nan 0.000 0.548 702 Y N 1.709 122.020 120.300 0.017 0.000 3.032 702 Y HA -0.125 4.441 4.550 0.026 0.000 0.344 702 Y C 1.156 177.102 175.900 0.077 0.000 1.273 702 Y CA 0.031 58.138 58.100 0.012 0.000 1.588 702 Y CB 0.141 38.615 38.460 0.023 0.000 1.209 702 Y HN 0.388 nan 8.280 nan 0.000 0.597 703 N N 1.676 120.498 118.700 0.204 0.000 3.100 703 N HA 0.185 4.942 4.740 0.027 0.000 0.344 703 N C 0.355 176.008 175.510 0.238 0.000 1.413 703 N CA -0.763 52.400 53.050 0.189 0.000 0.752 703 N CB 0.252 38.802 38.487 0.106 0.000 1.519 703 N HN 0.455 nan 8.380 nan 0.000 0.620 704 K N -0.751 119.761 120.400 0.187 0.000 2.103 704 K HA -0.039 4.297 4.320 0.027 0.000 0.207 704 K C 1.306 178.006 176.600 0.167 0.000 1.048 704 K CA 1.708 58.117 56.287 0.204 0.000 0.930 704 K CB -0.483 32.060 32.500 0.072 0.000 0.716 704 K HN 0.354 nan 8.250 nan 0.000 0.444 705 S N 1.351 117.091 115.700 0.066 0.000 2.399 705 S HA -0.135 4.351 4.470 0.027 0.000 0.231 705 S C 1.869 176.436 174.600 -0.056 0.000 1.022 705 S CA 1.469 59.676 58.200 0.011 0.000 0.983 705 S CB -0.295 62.902 63.200 -0.005 0.000 0.803 705 S HN 0.382 nan 8.310 nan 0.000 0.480 706 R N 0.981 121.369 120.500 -0.187 0.000 2.170 706 R HA -0.046 4.310 4.340 0.027 0.000 0.242 706 R C 0.826 176.803 176.300 -0.539 0.000 1.145 706 R CA 1.446 57.245 56.100 -0.501 0.000 0.984 706 R CB -0.522 29.214 30.300 -0.939 0.000 0.869 706 R HN 0.453 nan 8.270 nan 0.000 0.455 707 F N -0.848 119.061 119.950 -0.069 0.000 2.664 707 F HA 0.320 4.865 4.527 0.029 0.000 0.303 707 F C 0.551 176.421 175.800 0.116 0.000 1.092 707 F CA -0.266 57.682 58.000 -0.085 0.000 1.305 707 F CB 0.443 39.325 39.000 -0.196 0.000 1.054 707 F HN -0.115 nan 8.300 nan 0.000 0.565 708 S N 0.798 116.636 115.700 0.231 0.000 2.457 708 S HA 0.219 4.706 4.470 0.027 0.000 0.289 708 S C 0.749 175.413 174.600 0.107 0.000 1.163 708 S CA -0.740 57.540 58.200 0.134 0.000 1.078 708 S CB 0.201 63.406 63.200 0.007 0.000 0.987 708 S HN 0.370 nan 8.310 nan 0.000 0.482 709 F N 3.464 123.477 119.950 0.105 0.000 2.802 709 F HA 0.424 4.967 4.527 0.027 0.000 0.300 709 F C 0.953 176.662 175.800 -0.153 0.000 1.168 709 F CA -0.383 57.477 58.000 -0.233 0.000 1.433 709 F CB -0.114 38.552 39.000 -0.556 0.000 1.115 709 F HN 0.405 nan 8.300 nan 0.000 0.582 710 N N 1.361 120.064 118.700 0.004 0.000 2.238 710 N HA 0.313 5.069 4.740 0.027 0.000 0.222 710 N C -0.657 174.855 175.510 0.004 0.000 1.133 710 N CA 0.187 53.266 53.050 0.047 0.000 0.854 710 N CB 0.945 39.419 38.487 -0.022 0.000 1.041 710 N HN 0.344 nan 8.380 nan 0.000 0.510 711 L N 0.531 121.755 121.223 0.002 0.000 2.431 711 L HA 0.417 4.773 4.340 0.027 0.000 0.266 711 L C 0.384 177.250 176.870 -0.007 0.000 0.978 711 L CA -0.972 53.865 54.840 -0.006 0.000 0.822 711 L CB 1.605 43.656 42.059 -0.013 0.000 1.310 711 L HN -0.144 nan 8.230 nan 0.000 0.409 712 K N 1.052 121.445 120.400 -0.011 0.000 2.451 712 K HA 0.574 4.910 4.320 0.027 0.000 0.280 712 K C 0.830 177.414 176.600 -0.027 0.000 1.020 712 K CA 0.557 56.835 56.287 -0.015 0.000 1.008 712 K CB 0.412 32.905 32.500 -0.012 0.000 0.917 712 K HN 0.987 nan 8.250 nan 0.000 0.478 713 G N 0.192 108.972 108.800 -0.034 0.000 3.898 713 G HA2 0.018 3.995 3.960 0.027 0.000 0.196 713 G HA3 0.018 3.995 3.960 0.027 0.000 0.196 713 G C 1.135 175.975 174.900 -0.099 0.000 1.322 713 G CA 0.613 45.676 45.100 -0.061 0.000 0.942 713 G HN 1.580 nan 8.290 nan 0.000 0.400 714 G N 0.611 109.349 108.800 -0.103 0.000 3.146 714 G HA2 0.450 4.426 3.960 0.027 0.000 0.238 714 G HA3 0.450 4.426 3.960 0.027 0.000 0.238 714 G C 0.737 175.694 174.900 0.096 0.000 1.022 714 G CA 0.863 45.887 45.100 -0.126 0.000 0.880 714 G HN 0.795 nan 8.290 nan 0.000 0.533 715 R N -1.110 119.446 120.500 0.093 0.000 2.668 715 R HA 0.522 4.878 4.340 0.027 0.000 0.268 715 R C -0.421 175.888 176.300 0.015 0.000 1.232 715 R CA -0.408 55.724 56.100 0.054 0.000 1.166 715 R CB 0.012 30.287 30.300 -0.042 0.000 1.179 715 R HN -0.003 nan 8.270 nan 0.000 0.606 716 C N 1.304 120.573 119.300 -0.050 0.000 2.303 716 C HA 0.223 4.699 4.460 0.027 0.000 0.341 716 C C 1.190 176.153 174.990 -0.045 0.000 1.244 716 C CA -0.493 58.506 59.018 -0.032 0.000 1.765 716 C CB 0.065 27.778 27.740 -0.044 0.000 2.379 716 C HN 0.884 nan 8.230 nan 0.000 0.530 717 E N 2.970 123.157 120.200 -0.023 0.000 2.435 717 E HA -0.017 4.349 4.350 0.027 0.000 0.195 717 E C 2.022 178.609 176.600 -0.022 0.000 1.029 717 E CA 0.920 57.306 56.400 -0.022 0.000 0.865 717 E CB 0.106 29.800 29.700 -0.011 0.000 0.833 717 E HN 0.897 nan 8.360 nan 0.000 0.510 718 A N 1.054 123.863 122.820 -0.019 0.000 1.851 718 A HA -0.208 4.128 4.320 0.027 0.000 0.216 718 A C 2.294 179.863 177.584 -0.024 0.000 1.195 718 A CA 1.777 53.805 52.037 -0.014 0.000 0.622 718 A CB -0.714 18.281 19.000 -0.008 0.000 0.831 718 A HN 0.463 nan 8.150 nan 0.000 0.444 719 C N -3.264 116.005 119.300 -0.051 0.000 2.589 719 C HA 0.491 4.967 4.460 0.027 0.000 0.307 719 C C 0.716 175.631 174.990 -0.126 0.000 1.328 719 C CA -0.052 58.916 59.018 -0.084 0.000 1.742 719 C CB -0.507 27.158 27.740 -0.125 0.000 2.037 719 C HN 0.591 nan 8.230 nan 0.000 0.592 720 Q N 0.724 120.472 119.800 -0.086 0.000 2.422 720 Q HA -0.223 4.133 4.340 0.027 0.000 0.245 720 Q C 1.375 177.305 176.000 -0.115 0.000 0.922 720 Q CA 1.877 57.632 55.803 -0.080 0.000 1.192 720 Q CB -1.967 26.734 28.738 -0.062 0.000 1.641 720 Q HN 1.764 nan 8.270 nan 0.000 0.552 721 G N -1.139 107.559 108.800 -0.170 0.000 2.176 721 G HA2 -0.365 3.611 3.960 0.027 0.000 0.232 721 G HA3 -0.365 3.611 3.960 0.027 0.000 0.232 721 G C 0.798 175.453 174.900 -0.409 0.000 0.986 721 G CA 0.531 45.490 45.100 -0.234 0.000 0.643 721 G HN 0.439 nan 8.290 nan 0.000 0.522 722 Q N -0.384 119.151 119.800 -0.442 0.000 2.172 722 Q HA 0.323 4.679 4.340 0.027 0.000 0.200 722 Q C 2.164 177.722 176.000 -0.737 0.000 0.964 722 Q CA 1.266 56.642 55.803 -0.712 0.000 0.855 722 Q CB -0.019 28.140 28.738 -0.965 0.000 0.918 722 Q HN 1.633 nan 8.270 nan 0.000 0.444 723 G N 0.372 108.884 108.800 -0.481 0.000 2.141 723 G HA2 -0.275 3.701 3.960 0.027 0.000 0.242 723 G HA3 -0.275 3.701 3.960 0.027 0.000 0.242 723 G C -0.457 174.375 174.900 -0.114 0.000 0.982 723 G CA 0.373 45.309 45.100 -0.274 0.000 0.662 723 G HN 0.392 nan 8.290 nan 0.000 0.527 724 Y N -2.257 118.007 120.300 -0.061 0.000 2.521 724 Y HA 0.653 5.219 4.550 0.027 0.000 0.328 724 Y C -0.284 175.637 175.900 0.034 0.000 1.151 724 Y CA -1.655 56.442 58.100 -0.005 0.000 1.054 724 Y CB 0.398 38.865 38.460 0.012 0.000 1.338 724 Y HN 1.009 nan 8.280 nan 0.000 0.453 725 V N 0.300 120.387 119.914 0.289 0.000 3.109 725 V HA 0.660 4.796 4.120 0.027 0.000 0.317 725 V C -0.374 175.876 176.094 0.260 0.000 1.074 725 V CA -1.096 61.337 62.300 0.220 0.000 1.033 725 V CB 1.843 33.723 31.823 0.095 0.000 1.111 725 V HN 0.983 nan 8.190 nan 0.000 0.458 726 K N 2.598 123.090 120.400 0.153 0.000 2.316 726 K HA 0.469 4.805 4.320 0.027 0.000 0.267 726 K C -1.030 175.497 176.600 -0.123 0.000 1.025 726 K CA -0.743 55.510 56.287 -0.057 0.000 0.896 726 K CB 1.015 33.487 32.500 -0.047 0.000 1.124 726 K HN 0.706 nan 8.250 nan 0.000 0.451 727 I N 4.138 124.603 120.570 -0.176 0.000 2.337 727 I HA 0.118 4.304 4.170 0.027 0.000 0.291 727 I C 0.362 176.387 176.117 -0.154 0.000 1.046 727 I CA 0.008 61.232 61.300 -0.127 0.000 1.324 727 I CB 0.977 38.919 38.000 -0.097 0.000 1.409 727 I HN 0.648 nan 8.210 nan 0.000 0.494 728 E N 7.675 127.807 120.200 -0.114 0.000 2.089 728 E HA 0.400 4.766 4.350 0.027 0.000 0.284 728 E C -0.533 176.009 176.600 -0.097 0.000 1.023 728 E CA -0.236 56.098 56.400 -0.110 0.000 0.819 728 E CB 1.235 30.881 29.700 -0.090 0.000 1.076 728 E HN 0.489 nan 8.360 nan 0.000 0.396 729 M N 2.608 122.148 119.600 -0.100 0.000 2.664 729 M HA 0.375 4.871 4.480 0.027 0.000 0.314 729 M C -0.110 176.122 176.300 -0.114 0.000 1.200 729 M CA -1.068 54.176 55.300 -0.092 0.000 0.916 729 M CB 1.708 34.268 32.600 -0.066 0.000 1.717 729 M HN 0.291 nan 8.290 nan 0.000 0.470 730 L N 1.822 122.954 121.223 -0.151 0.000 2.453 730 L HA 0.081 4.437 4.340 0.027 0.000 0.272 730 L C -0.204 176.577 176.870 -0.147 0.000 1.182 730 L CA 0.388 55.048 54.840 -0.300 0.000 0.858 730 L CB 0.120 41.919 42.059 -0.433 0.000 1.120 730 L HN 0.729 nan 8.230 nan 0.000 0.474 731 F N 1.058 120.992 119.950 -0.026 0.000 2.935 731 F HA -0.270 4.273 4.527 0.027 0.000 0.317 731 F C -0.159 175.625 175.800 -0.027 0.000 0.699 731 F CA 0.555 58.541 58.000 -0.023 0.000 1.127 731 F CB -2.121 36.867 39.000 -0.020 0.000 1.491 731 F HN 0.325 nan 8.300 nan 0.000 0.337 732 L N -1.958 119.324 121.223 0.099 0.000 2.354 732 L HA 0.973 5.329 4.340 0.027 0.000 0.264 732 L C -2.355 174.516 176.870 0.002 0.000 1.008 732 L CA -2.340 52.528 54.840 0.046 0.000 0.819 732 L CB 0.321 42.395 42.059 0.024 0.000 1.339 732 L HN -0.284 nan 8.230 nan 0.000 0.420 733 P HA 0.145 nan 4.420 nan 0.000 0.269 733 P C -0.893 176.362 177.300 -0.075 0.000 1.209 733 P CA -0.051 63.034 63.100 -0.026 0.000 0.776 733 P CB 0.359 32.053 31.700 -0.011 0.000 0.876 734 D N -0.165 120.165 120.400 -0.117 0.000 2.472 734 D HA 0.200 4.856 4.640 0.027 0.000 0.237 734 D C -0.025 176.075 176.300 -0.333 0.000 1.141 734 D CA 0.536 54.385 54.000 -0.251 0.000 0.875 734 D CB 0.285 40.886 40.800 -0.332 0.000 1.192 734 D HN 0.158 nan 8.370 nan 0.000 0.450 735 V N 0.205 119.885 119.914 -0.389 0.000 2.531 735 V HA 0.468 4.604 4.120 0.027 0.000 0.301 735 V C -1.202 174.655 176.094 -0.395 0.000 1.034 735 V CA -0.995 61.120 62.300 -0.308 0.000 0.865 735 V CB 0.752 32.493 31.823 -0.137 0.000 0.995 735 V HN 0.345 nan 8.190 nan 0.000 0.424 736 Y N 4.315 124.529 120.300 -0.144 0.000 2.313 736 Y HA 0.718 5.285 4.550 0.027 0.000 0.332 736 Y C 0.605 176.413 175.900 -0.153 0.000 1.071 736 Y CA -0.601 57.383 58.100 -0.194 0.000 1.169 736 Y CB 1.774 39.933 38.460 -0.501 0.000 1.192 736 Y HN 0.817 nan 8.280 nan 0.000 0.487 737 V N -0.359 119.597 119.914 0.071 0.000 3.001 737 V HA 0.503 4.639 4.120 0.027 0.000 0.314 737 V C -0.257 175.909 176.094 0.120 0.000 1.099 737 V CA -1.496 60.839 62.300 0.057 0.000 0.989 737 V CB 1.816 33.655 31.823 0.027 0.000 1.040 737 V HN 0.819 nan 8.190 nan 0.000 0.434 738 E N 1.189 121.443 120.200 0.090 0.000 2.467 738 E HA -0.035 4.331 4.350 0.027 0.000 0.264 738 E C -0.321 176.333 176.600 0.089 0.000 1.020 738 E CA -0.179 56.281 56.400 0.101 0.000 0.945 738 E CB 0.692 30.427 29.700 0.059 0.000 0.942 738 E HN 1.003 nan 8.360 nan 0.000 0.449 739 C N 5.737 125.083 119.300 0.075 0.000 2.555 739 C HA 0.070 4.546 4.460 0.027 0.000 0.385 739 C C 0.913 175.920 174.990 0.028 0.000 1.296 739 C CA -0.657 58.385 59.018 0.040 0.000 1.757 739 C CB -0.832 26.908 27.740 -0.001 0.000 2.445 739 C HN 0.755 nan 8.230 nan 0.000 0.571 740 D N 3.190 123.606 120.400 0.027 0.000 2.269 740 D HA -0.075 4.582 4.640 0.027 0.000 0.208 740 D C 1.979 178.291 176.300 0.021 0.000 0.963 740 D CA 0.876 54.890 54.000 0.023 0.000 0.864 740 D CB 0.211 41.023 40.800 0.021 0.000 0.936 740 D HN 0.542 nan 8.370 nan 0.000 0.505 741 V N 1.067 120.991 119.914 0.017 0.000 2.270 741 V HA -0.219 3.917 4.120 0.027 0.000 0.245 741 V C 2.600 178.708 176.094 0.023 0.000 1.043 741 V CA 1.859 64.169 62.300 0.018 0.000 1.014 741 V CB -0.506 31.324 31.823 0.012 0.000 0.645 741 V HN 0.460 nan 8.190 nan 0.000 0.447 742 C N -1.542 117.768 119.300 0.017 0.000 2.906 742 C HA 0.415 4.891 4.460 0.027 0.000 0.274 742 C C 1.675 176.682 174.990 0.029 0.000 1.257 742 C CA -0.306 58.727 59.018 0.026 0.000 1.695 742 C CB -0.667 27.078 27.740 0.008 0.000 1.958 742 C HN 0.702 nan 8.230 nan 0.000 0.619 743 K N 0.675 121.089 120.400 0.024 0.000 3.407 743 K HA -0.180 4.156 4.320 0.027 0.000 0.312 743 K C 1.020 177.634 176.600 0.022 0.000 1.302 743 K CA 1.023 57.327 56.287 0.028 0.000 0.931 743 K CB -1.739 30.782 32.500 0.035 0.000 1.257 743 K HN 1.773 nan 8.250 nan 0.000 0.454 744 G N -0.078 108.725 108.800 0.004 0.000 2.157 744 G HA2 -0.306 3.670 3.960 0.027 0.000 0.248 744 G HA3 -0.306 3.670 3.960 0.027 0.000 0.248 744 G C 0.516 175.394 174.900 -0.037 0.000 0.979 744 G CA 0.631 45.719 45.100 -0.019 0.000 0.650 744 G HN 0.436 nan 8.290 nan 0.000 0.529 745 K N 0.470 120.870 120.400 0.000 0.000 2.296 745 K HA 0.067 4.403 4.320 0.027 0.000 0.200 745 K C 1.808 178.404 176.600 -0.007 0.000 1.048 745 K CA 0.624 56.941 56.287 0.049 0.000 0.966 745 K CB -0.084 32.488 32.500 0.119 0.000 0.754 745 K HN 0.787 nan 8.250 nan 0.000 0.466 746 R N -1.416 119.019 120.500 -0.108 0.000 3.651 746 R HA -0.226 4.131 4.340 0.027 0.000 0.292 746 R C -1.341 174.726 176.300 -0.390 0.000 1.161 746 R CA 0.987 56.920 56.100 -0.278 0.000 0.787 746 R CB -3.143 26.878 30.300 -0.463 0.000 1.249 746 R HN 0.198 nan 8.270 nan 0.000 0.476 747 Y N 0.320 120.630 120.300 0.016 0.000 2.534 747 Y HA 0.343 4.909 4.550 0.026 0.000 0.345 747 Y C 0.341 176.248 175.900 0.012 0.000 1.031 747 Y CA -0.996 57.119 58.100 0.025 0.000 1.022 747 Y CB 1.428 39.919 38.460 0.052 0.000 1.292 747 Y HN 0.268 nan 8.280 nan 0.000 0.459 748 N N 1.685 120.487 118.700 0.169 0.000 2.508 748 N HA 0.105 4.861 4.740 0.027 0.000 0.264 748 N C 1.001 176.570 175.510 0.098 0.000 1.216 748 N CA -0.634 52.473 53.050 0.094 0.000 0.943 748 N CB 0.778 39.298 38.487 0.054 0.000 1.113 748 N HN 0.800 nan 8.380 nan 0.000 0.447 749 R N 1.080 121.629 120.500 0.082 0.000 2.133 749 R HA -0.287 4.069 4.340 0.027 0.000 0.247 749 R C 0.483 176.840 176.300 0.094 0.000 1.151 749 R CA 1.895 58.045 56.100 0.084 0.000 0.971 749 R CB -0.393 29.949 30.300 0.069 0.000 0.866 749 R HN 0.663 nan 8.270 nan 0.000 0.447 750 E N 0.545 120.801 120.200 0.092 0.000 2.038 750 E HA -0.126 4.240 4.350 0.027 0.000 0.195 750 E C 2.108 178.801 176.600 0.155 0.000 1.000 750 E CA 2.360 58.837 56.400 0.128 0.000 0.803 750 E CB -0.570 29.215 29.700 0.142 0.000 0.750 750 E HN 0.427 nan 8.360 nan 0.000 0.448 751 T N 0.970 115.559 114.554 0.058 0.000 2.788 751 T HA -0.083 4.283 4.350 0.027 0.000 0.268 751 T C 1.683 176.441 174.700 0.097 0.000 1.044 751 T CA 0.807 62.890 62.100 -0.027 0.000 1.139 751 T CB -0.224 68.521 68.868 -0.205 0.000 0.867 751 T HN 0.077 nan 8.240 nan 0.000 0.454 752 L N 0.794 122.075 121.223 0.097 0.000 2.633 752 L HA -0.001 4.355 4.340 0.027 0.000 0.235 752 L C 2.261 179.226 176.870 0.158 0.000 1.163 752 L CA 0.923 55.832 54.840 0.115 0.000 0.859 752 L CB -0.478 41.649 42.059 0.113 0.000 0.973 752 L HN 0.376 nan 8.230 nan 0.000 0.451 753 E N -0.081 120.226 120.200 0.179 0.000 2.400 753 E HA 0.053 4.419 4.350 0.027 0.000 0.195 753 E C 0.400 177.126 176.600 0.210 0.000 1.012 753 E CA -0.033 56.470 56.400 0.171 0.000 0.875 753 E CB 0.447 30.234 29.700 0.145 0.000 0.859 753 E HN 0.274 nan 8.360 nan 0.000 0.498 754 I N 2.839 123.596 120.570 0.312 0.000 2.452 754 I HA 0.051 4.237 4.170 0.027 0.000 0.287 754 I C 0.558 176.883 176.117 0.346 0.000 1.079 754 I CA 0.357 61.873 61.300 0.360 0.000 1.387 754 I CB -0.086 38.281 38.000 0.613 0.000 1.404 754 I HN -0.084 nan 8.210 nan 0.000 0.522 755 T N 3.788 118.452 114.554 0.184 0.000 2.876 755 T HA 0.541 4.907 4.350 0.027 0.000 0.289 755 T C -0.994 173.670 174.700 -0.060 0.000 1.014 755 T CA -0.791 61.393 62.100 0.141 0.000 0.986 755 T CB 2.084 71.031 68.868 0.132 0.000 1.021 755 T HN 0.401 nan 8.240 nan 0.000 0.458 756 Y N 2.181 122.284 120.300 -0.328 0.000 2.377 756 Y HA 0.440 5.006 4.550 0.026 0.000 0.339 756 Y C 0.794 176.670 175.900 -0.041 0.000 1.011 756 Y CA -0.840 57.057 58.100 -0.337 0.000 1.093 756 Y CB 1.305 39.365 38.460 -0.667 0.000 1.201 756 Y HN 0.933 nan 8.280 nan 0.000 0.455 757 K N 4.496 124.456 120.400 -0.734 0.000 2.938 757 K HA -0.286 4.050 4.320 0.027 0.000 0.250 757 K C 0.848 177.393 176.600 -0.093 0.000 0.939 757 K CA 1.175 57.145 56.287 -0.528 0.000 0.694 757 K CB -1.740 30.233 32.500 -0.879 0.000 1.267 757 K HN 1.314 nan 8.250 nan 0.000 0.483 758 G N -0.330 108.460 108.800 -0.017 0.000 2.179 758 G HA2 -0.276 3.700 3.960 0.027 0.000 0.220 758 G HA3 -0.276 3.700 3.960 0.027 0.000 0.220 758 G C -0.250 174.729 174.900 0.131 0.000 0.990 758 G CA 0.387 45.521 45.100 0.056 0.000 0.646 758 G HN 0.310 nan 8.290 nan 0.000 0.517 759 K N 0.807 121.339 120.400 0.221 0.000 2.324 759 K HA 0.506 4.842 4.320 0.027 0.000 0.253 759 K C -0.039 176.780 176.600 0.365 0.000 0.932 759 K CA -0.696 55.727 56.287 0.226 0.000 0.799 759 K CB 1.705 34.286 32.500 0.135 0.000 1.154 759 K HN 0.300 nan 8.250 nan 0.000 0.425 760 N N 1.046 119.915 118.700 0.282 0.000 2.364 760 N HA 0.030 4.786 4.740 0.027 0.000 0.264 760 N C 0.801 176.379 175.510 0.113 0.000 1.263 760 N CA -0.520 52.728 53.050 0.329 0.000 0.959 760 N CB 0.361 38.964 38.487 0.195 0.000 1.204 760 N HN 0.591 nan 8.380 nan 0.000 0.550 761 I N -0.376 120.068 120.570 -0.210 0.000 2.361 761 I HA -0.218 3.968 4.170 0.027 0.000 0.251 761 I C 2.205 178.233 176.117 -0.148 0.000 1.133 761 I CA 1.564 62.513 61.300 -0.584 0.000 1.413 761 I CB -0.706 36.895 38.000 -0.665 0.000 1.073 761 I HN 0.755 nan 8.210 nan 0.000 0.424 762 S N 0.127 115.821 115.700 -0.009 0.000 2.355 762 S HA -0.219 4.267 4.470 0.027 0.000 0.222 762 S C 1.884 176.542 174.600 0.097 0.000 1.031 762 S CA 1.553 59.847 58.200 0.157 0.000 0.993 762 S CB -0.681 62.641 63.200 0.203 0.000 0.859 762 S HN 0.509 nan 8.310 nan 0.000 0.453 763 D N 1.305 121.744 120.400 0.064 0.000 2.158 763 D HA -0.088 4.568 4.640 0.027 0.000 0.197 763 D C 1.759 178.062 176.300 0.005 0.000 0.995 763 D CA 1.096 55.120 54.000 0.039 0.000 0.846 763 D CB -0.417 40.407 40.800 0.040 0.000 0.941 763 D HN 0.419 nan 8.370 nan 0.000 0.456 764 I N 0.387 120.960 120.570 0.005 0.000 2.676 764 I HA -0.130 4.056 4.170 0.027 0.000 0.259 764 I C 2.210 178.386 176.117 0.099 0.000 1.194 764 I CA 0.547 61.855 61.300 0.015 0.000 1.473 764 I CB -0.159 37.877 38.000 0.060 0.000 1.096 764 I HN -0.036 nan 8.210 nan 0.000 0.443 765 L N -0.415 120.881 121.223 0.122 0.000 2.478 765 L HA -0.069 4.287 4.340 0.027 0.000 0.223 765 L C 1.473 178.385 176.870 0.070 0.000 1.140 765 L CA 0.592 55.501 54.840 0.116 0.000 0.842 765 L CB -0.338 41.799 42.059 0.129 0.000 0.953 765 L HN 0.135 nan 8.230 nan 0.000 0.452 766 D N 0.005 120.438 120.400 0.055 0.000 2.333 766 D HA 0.037 4.693 4.640 0.027 0.000 0.208 766 D C 1.002 177.323 176.300 0.035 0.000 0.984 766 D CA 0.431 54.455 54.000 0.041 0.000 0.873 766 D CB 0.178 40.999 40.800 0.037 0.000 0.935 766 D HN 0.315 nan 8.370 nan 0.000 0.521 767 M N 0.203 119.821 119.600 0.029 0.000 2.288 767 M HA 0.331 4.827 4.480 0.027 0.000 0.334 767 M C 0.575 176.908 176.300 0.054 0.000 1.150 767 M CA -0.626 54.692 55.300 0.029 0.000 1.118 767 M CB 0.942 33.535 32.600 -0.011 0.000 1.501 767 M HN -0.228 nan 8.290 nan 0.000 0.462 768 T N -0.569 114.022 114.554 0.062 0.000 2.766 768 T HA 0.249 4.615 4.350 0.027 0.000 0.295 768 T C 1.220 175.969 174.700 0.082 0.000 1.024 768 T CA -0.834 61.306 62.100 0.065 0.000 1.018 768 T CB 0.847 69.769 68.868 0.088 0.000 1.002 768 T HN 0.538 nan 8.240 nan 0.000 0.532 769 V N 1.285 121.236 119.914 0.063 0.000 2.324 769 V HA -0.178 3.958 4.120 0.027 0.000 0.250 769 V C 2.571 178.745 176.094 0.132 0.000 1.060 769 V CA 2.213 64.569 62.300 0.092 0.000 1.042 769 V CB -0.849 31.011 31.823 0.062 0.000 0.650 769 V HN 0.873 nan 8.190 nan 0.000 0.450 770 D N -0.374 120.112 120.400 0.144 0.000 2.117 770 D HA -0.156 4.501 4.640 0.027 0.000 0.197 770 D C 2.230 178.600 176.300 0.116 0.000 0.987 770 D CA 1.298 55.382 54.000 0.141 0.000 0.829 770 D CB -0.087 40.813 40.800 0.167 0.000 0.961 770 D HN 0.571 nan 8.370 nan 0.000 0.460 771 E N 0.556 120.824 120.200 0.114 0.000 2.051 771 E HA -0.100 4.266 4.350 0.027 0.000 0.192 771 E C 2.106 178.790 176.600 0.141 0.000 0.991 771 E CA 1.040 57.503 56.400 0.105 0.000 0.799 771 E CB -0.024 29.720 29.700 0.074 0.000 0.748 771 E HN 0.170 nan 8.360 nan 0.000 0.449 772 A N 0.809 123.733 122.820 0.174 0.000 1.969 772 A HA -0.139 4.197 4.320 0.027 0.000 0.218 772 A C 2.099 179.936 177.584 0.422 0.000 1.169 772 A CA 0.838 53.067 52.037 0.321 0.000 0.635 772 A CB -0.420 18.797 19.000 0.362 0.000 0.810 772 A HN 0.238 nan 8.150 nan 0.000 0.445 773 L N -0.175 121.201 121.223 0.255 0.000 2.131 773 L HA -0.110 4.246 4.340 0.027 0.000 0.210 773 L C 2.122 179.094 176.870 0.170 0.000 1.092 773 L CA 2.588 57.545 54.840 0.195 0.000 0.759 773 L CB -0.536 41.568 42.059 0.075 0.000 0.903 773 L HN 0.486 nan 8.230 nan 0.000 0.435 774 E N -0.396 119.890 120.200 0.144 0.000 1.999 774 E HA -0.278 4.088 4.350 0.027 0.000 0.194 774 E C 2.087 178.755 176.600 0.113 0.000 0.995 774 E CA 1.742 58.205 56.400 0.105 0.000 0.825 774 E CB -0.888 28.866 29.700 0.091 0.000 0.777 774 E HN 0.373 nan 8.360 nan 0.000 0.459 775 F N -0.463 119.442 119.950 -0.075 0.000 2.146 775 F HA -0.260 4.282 4.527 0.025 0.000 0.298 775 F C 1.133 176.742 175.800 -0.319 0.000 1.053 775 F CA 1.672 59.517 58.000 -0.257 0.000 1.285 775 F CB -0.093 38.632 39.000 -0.458 0.000 1.039 775 F HN 0.097 nan 8.300 nan 0.000 0.497 776 F N -0.633 119.451 119.950 0.224 0.000 2.791 776 F HA 0.200 4.741 4.527 0.024 0.000 0.308 776 F C 1.573 177.406 175.800 0.055 0.000 1.138 776 F CA -0.429 57.648 58.000 0.129 0.000 1.294 776 F CB -0.223 38.866 39.000 0.148 0.000 0.975 776 F HN -0.233 nan 8.300 nan 0.000 0.512 777 K N 1.057 121.547 120.400 0.150 0.000 2.113 777 K HA -0.216 4.120 4.320 0.027 0.000 0.208 777 K C 0.780 177.426 176.600 0.076 0.000 1.047 777 K CA 2.277 58.618 56.287 0.090 0.000 0.928 777 K CB -0.061 32.463 32.500 0.039 0.000 0.716 777 K HN 0.383 nan 8.250 nan 0.000 0.446 778 N N -0.133 118.611 118.700 0.073 0.000 2.373 778 N HA 0.072 4.828 4.740 0.027 0.000 0.181 778 N C -0.532 175.016 175.510 0.064 0.000 1.082 778 N CA 0.169 53.250 53.050 0.051 0.000 0.885 778 N CB 0.370 38.875 38.487 0.029 0.000 0.977 778 N HN 0.050 nan 8.380 nan 0.000 0.462 779 I N 2.378 123.011 120.570 0.104 0.000 2.276 779 I HA 0.172 4.359 4.170 0.027 0.000 0.290 779 I C -1.424 174.719 176.117 0.042 0.000 1.109 779 I CA -2.223 59.120 61.300 0.072 0.000 1.229 779 I CB 0.838 38.896 38.000 0.096 0.000 1.452 779 I HN -0.083 nan 8.210 nan 0.000 0.497 780 P HA -0.240 nan 4.420 nan 0.000 0.214 780 P C 1.576 178.875 177.300 -0.000 0.000 1.163 780 P CA 1.882 64.991 63.100 0.015 0.000 0.889 780 P CB 0.098 31.803 31.700 0.008 0.000 0.790 781 S N -0.120 115.568 115.700 -0.019 0.000 2.356 781 S HA -0.156 4.330 4.470 0.027 0.000 0.223 781 S C 2.221 176.788 174.600 -0.054 0.000 1.032 781 S CA 1.144 59.324 58.200 -0.033 0.000 1.005 781 S CB -1.679 61.495 63.200 -0.044 0.000 0.867 781 S HN 0.046 nan 8.310 nan 0.000 0.449 782 I N 2.664 123.176 120.570 -0.096 0.000 2.099 782 I HA -0.184 4.002 4.170 0.027 0.000 0.239 782 I C 3.299 179.374 176.117 -0.070 0.000 1.066 782 I CA 1.898 63.100 61.300 -0.163 0.000 1.324 782 I CB -0.903 36.878 38.000 -0.365 0.000 1.037 782 I HN 0.548 nan 8.210 nan 0.000 0.401 783 K N 0.826 121.227 120.400 0.003 0.000 2.218 783 K HA -0.241 4.095 4.320 0.027 0.000 0.205 783 K C 2.099 178.720 176.600 0.035 0.000 1.046 783 K CA 1.962 58.282 56.287 0.055 0.000 0.933 783 K CB -1.052 31.492 32.500 0.074 0.000 0.728 783 K HN 0.416 nan 8.250 nan 0.000 0.454 784 R N -0.053 120.457 120.500 0.017 0.000 2.064 784 R HA -0.104 4.252 4.340 0.027 0.000 0.228 784 R C 2.495 178.811 176.300 0.027 0.000 1.144 784 R CA 2.136 58.249 56.100 0.022 0.000 0.932 784 R CB -0.636 29.672 30.300 0.014 0.000 0.833 784 R HN 0.485 nan 8.270 nan 0.000 0.429 785 T N 2.171 116.734 114.554 0.015 0.000 2.759 785 T HA -0.146 4.220 4.350 0.027 0.000 0.269 785 T C 1.897 176.621 174.700 0.039 0.000 1.042 785 T CA 1.367 63.482 62.100 0.024 0.000 1.140 785 T CB -0.186 68.689 68.868 0.012 0.000 0.864 785 T HN 0.176 nan 8.240 nan 0.000 0.455 786 L N 0.517 121.764 121.223 0.039 0.000 1.994 786 L HA -0.157 4.199 4.340 0.027 0.000 0.208 786 L C 2.956 179.882 176.870 0.093 0.000 1.071 786 L CA 1.503 56.384 54.840 0.068 0.000 0.745 786 L CB -0.682 41.426 42.059 0.082 0.000 0.892 786 L HN 0.221 nan 8.230 nan 0.000 0.431 787 Q N 0.194 120.042 119.800 0.080 0.000 2.118 787 Q HA -0.216 4.140 4.340 0.027 0.000 0.211 787 Q C 2.034 178.114 176.000 0.133 0.000 0.998 787 Q CA 2.388 58.250 55.803 0.099 0.000 0.872 787 Q CB -0.522 28.255 28.738 0.064 0.000 0.925 787 Q HN 0.321 nan 8.270 nan 0.000 0.414 788 V N 0.281 120.247 119.914 0.086 0.000 2.252 788 V HA -0.305 3.832 4.120 0.027 0.000 0.249 788 V C 2.342 178.478 176.094 0.070 0.000 1.056 788 V CA 2.093 64.433 62.300 0.067 0.000 1.022 788 V CB -0.706 31.145 31.823 0.046 0.000 0.641 788 V HN 0.414 nan 8.190 nan 0.000 0.445 789 L N -0.471 120.796 121.223 0.073 0.000 2.127 789 L HA -0.239 4.117 4.340 0.027 0.000 0.211 789 L C 2.529 179.442 176.870 0.072 0.000 1.089 789 L CA 2.038 56.910 54.840 0.053 0.000 0.757 789 L CB -0.672 41.412 42.059 0.042 0.000 0.899 789 L HN 0.541 nan 8.230 nan 0.000 0.434 790 H N -0.648 118.440 119.070 0.030 0.000 2.436 790 H HA -0.106 4.462 4.556 0.021 0.000 0.294 790 H C 1.726 177.084 175.328 0.050 0.000 1.048 790 H CA 1.330 57.406 56.048 0.047 0.000 1.353 790 H CB 0.215 30.012 29.762 0.057 0.000 1.414 790 H HN 0.180 nan 8.280 nan 0.000 0.536 791 D N -0.042 120.394 120.400 0.060 0.000 2.183 791 D HA -0.109 4.547 4.640 0.027 0.000 0.203 791 D C 2.070 178.349 176.300 -0.034 0.000 0.969 791 D CA 1.326 55.337 54.000 0.018 0.000 0.842 791 D CB -0.073 40.775 40.800 0.079 0.000 0.957 791 D HN 0.454 nan 8.370 nan 0.000 0.484 792 V N -2.869 117.031 119.914 -0.023 0.000 3.573 792 V HA 0.424 4.561 4.120 0.027 0.000 0.270 792 V C 1.465 177.543 176.094 -0.027 0.000 1.221 792 V CA 0.911 63.197 62.300 -0.024 0.000 1.163 792 V CB -0.141 31.673 31.823 -0.015 0.000 0.847 792 V HN 0.245 nan 8.190 nan 0.000 0.468 793 G N 0.337 109.099 108.800 -0.063 0.000 2.213 793 G HA2 -0.248 3.728 3.960 0.027 0.000 0.236 793 G HA3 -0.248 3.728 3.960 0.027 0.000 0.236 793 G C 0.330 175.269 174.900 0.065 0.000 0.991 793 G CA 0.237 45.318 45.100 -0.033 0.000 0.629 793 G HN 0.484 nan 8.290 nan 0.000 0.517 794 L N 2.592 123.819 121.223 0.007 0.000 2.675 794 L HA 0.357 4.713 4.340 0.027 0.000 0.238 794 L C 2.544 179.325 176.870 -0.149 0.000 1.155 794 L CA 1.637 56.418 54.840 -0.098 0.000 0.881 794 L CB -0.707 41.284 42.059 -0.114 0.000 1.008 794 L HN 0.378 nan 8.230 nan 0.000 0.443 795 G N -0.846 107.973 108.800 0.032 0.000 2.564 795 G HA2 -0.315 3.661 3.960 0.027 0.000 0.217 795 G HA3 -0.315 3.661 3.960 0.027 0.000 0.217 795 G C 1.101 176.084 174.900 0.138 0.000 1.120 795 G CA 1.011 46.202 45.100 0.151 0.000 0.752 795 G HN 0.669 nan 8.290 nan 0.000 0.558 796 Y N -0.748 119.588 120.300 0.061 0.000 2.507 796 Y HA 0.595 5.160 4.550 0.026 0.000 0.254 796 Y C 0.107 176.033 175.900 0.043 0.000 1.171 796 Y CA -1.299 56.830 58.100 0.050 0.000 1.238 796 Y CB -0.273 38.201 38.460 0.023 0.000 1.148 796 Y HN -0.051 nan 8.280 nan 0.000 0.525 797 V N 1.148 120.769 119.914 -0.488 0.000 2.567 797 V HA 0.233 4.369 4.120 0.027 0.000 0.289 797 V C 0.208 176.244 176.094 -0.097 0.000 1.049 797 V CA -1.573 60.515 62.300 -0.355 0.000 0.969 797 V CB 1.454 33.021 31.823 -0.428 0.000 0.995 797 V HN 0.138 nan 8.190 nan 0.000 0.471 798 K N 2.209 122.591 120.400 -0.029 0.000 2.412 798 K HA 0.252 4.588 4.320 0.027 0.000 0.281 798 K C 0.982 177.585 176.600 0.005 0.000 1.027 798 K CA -0.189 56.105 56.287 0.012 0.000 0.989 798 K CB 0.644 33.163 32.500 0.032 0.000 0.935 798 K HN 0.562 nan 8.250 nan 0.000 0.475 799 L N 1.898 123.139 121.223 0.031 0.000 2.079 799 L HA -0.170 4.186 4.340 0.027 0.000 0.210 799 L C 1.930 178.806 176.870 0.011 0.000 1.081 799 L CA 1.690 56.553 54.840 0.039 0.000 0.752 799 L CB -0.334 41.782 42.059 0.096 0.000 0.896 799 L HN 0.877 nan 8.230 nan 0.000 0.433 800 G N -1.906 106.903 108.800 0.014 0.000 3.042 800 G HA2 -0.073 3.903 3.960 0.027 0.000 0.212 800 G HA3 -0.073 3.903 3.960 0.027 0.000 0.212 800 G C 0.718 175.609 174.900 -0.014 0.000 1.166 800 G CA -0.318 44.779 45.100 -0.004 0.000 0.767 800 G HN 0.111 nan 8.290 nan 0.000 0.546 801 Q N 1.495 121.293 119.800 -0.003 0.000 2.388 801 Q HA 0.018 4.374 4.340 0.027 0.000 0.302 801 Q C -2.169 173.820 176.000 -0.018 0.000 1.149 801 Q CA -0.772 55.031 55.803 0.001 0.000 1.014 801 Q CB 0.662 29.406 28.738 0.010 0.000 1.072 801 Q HN 0.182 nan 8.270 nan 0.000 0.395 802 P HA -0.042 nan 4.420 nan 0.000 0.268 802 P C -0.070 177.205 177.300 -0.041 0.000 1.208 802 P CA 0.290 63.363 63.100 -0.044 0.000 0.777 802 P CB 0.608 32.272 31.700 -0.061 0.000 0.875 803 A N 2.284 125.085 122.820 -0.032 0.000 1.902 803 A HA -0.185 4.151 4.320 0.027 0.000 0.217 803 A C 2.075 179.627 177.584 -0.053 0.000 1.181 803 A CA 2.501 54.513 52.037 -0.041 0.000 0.623 803 A CB -2.057 16.938 19.000 -0.008 0.000 0.818 803 A HN 0.646 nan 8.150 nan 0.000 0.443 804 T N -1.439 113.084 114.554 -0.051 0.000 2.652 804 T HA -0.222 4.144 4.350 0.027 0.000 0.267 804 T C 1.847 176.496 174.700 -0.084 0.000 1.039 804 T CA 2.471 64.535 62.100 -0.060 0.000 1.153 804 T CB -1.706 67.124 68.868 -0.063 0.000 0.863 804 T HN 0.710 nan 8.240 nan 0.000 0.428 805 T N -0.107 114.382 114.554 -0.109 0.000 3.139 805 T HA 0.131 4.497 4.350 0.027 0.000 0.267 805 T C 0.591 175.204 174.700 -0.145 0.000 1.164 805 T CA -0.190 61.797 62.100 -0.188 0.000 1.075 805 T CB -0.792 67.946 68.868 -0.217 0.000 0.904 805 T HN 0.195 nan 8.240 nan 0.000 0.540 806 L N 3.173 124.354 121.223 -0.070 0.000 2.416 806 L HA 0.398 4.754 4.340 0.027 0.000 0.272 806 L C 0.847 177.717 176.870 -0.000 0.000 1.161 806 L CA -0.234 54.591 54.840 -0.024 0.000 0.845 806 L CB 0.897 42.923 42.059 -0.056 0.000 1.119 806 L HN 0.470 nan 8.230 nan 0.000 0.464 807 S N 2.287 118.022 115.700 0.059 0.000 2.634 807 S HA 0.381 4.867 4.470 0.027 0.000 0.261 807 S C 1.279 175.898 174.600 0.032 0.000 1.271 807 S CA -0.020 58.221 58.200 0.069 0.000 0.985 807 S CB 1.093 64.365 63.200 0.120 0.000 0.968 807 S HN 0.787 nan 8.310 nan 0.000 0.568 808 G N 0.497 109.318 108.800 0.036 0.000 2.394 808 G HA2 0.075 4.051 3.960 0.027 0.000 0.215 808 G HA3 0.075 4.051 3.960 0.027 0.000 0.215 808 G C 1.314 176.223 174.900 0.015 0.000 1.165 808 G CA 0.503 45.614 45.100 0.019 0.000 0.784 808 G HN 1.009 nan 8.290 nan 0.000 0.535 809 G N 0.171 108.991 108.800 0.034 0.000 2.511 809 G HA2 0.049 4.025 3.960 0.027 0.000 0.217 809 G HA3 0.049 4.025 3.960 0.027 0.000 0.217 809 G C 1.538 176.446 174.900 0.013 0.000 1.133 809 G CA 0.852 45.965 45.100 0.021 0.000 0.792 809 G HN 0.512 nan 8.290 nan 0.000 0.539 810 E N 0.559 120.772 120.200 0.022 0.000 2.021 810 E HA 0.115 4.481 4.350 0.027 0.000 0.189 810 E C 2.955 179.524 176.600 -0.051 0.000 0.980 810 E CA 0.634 57.033 56.400 -0.002 0.000 0.803 810 E CB -0.181 29.528 29.700 0.014 0.000 0.766 810 E HN 0.295 nan 8.360 nan 0.000 0.449 811 A N 1.305 124.087 122.820 -0.063 0.000 1.892 811 A HA -0.330 4.006 4.320 0.027 0.000 0.218 811 A C 2.193 179.708 177.584 -0.115 0.000 1.188 811 A CA 2.103 54.067 52.037 -0.121 0.000 0.631 811 A CB -0.671 18.266 19.000 -0.105 0.000 0.822 811 A HN 0.152 nan 8.150 nan 0.000 0.447 812 Q N -0.594 119.168 119.800 -0.063 0.000 2.096 812 Q HA -0.149 4.207 4.340 0.027 0.000 0.204 812 Q C 2.176 178.152 176.000 -0.040 0.000 0.982 812 Q CA 2.090 57.867 55.803 -0.044 0.000 0.850 812 Q CB -0.239 28.484 28.738 -0.025 0.000 0.901 812 Q HN 0.618 nan 8.270 nan 0.000 0.422 813 R N -0.708 119.768 120.500 -0.040 0.000 2.092 813 R HA 0.051 4.408 4.340 0.027 0.000 0.231 813 R C 2.098 178.378 176.300 -0.034 0.000 1.119 813 R CA 1.221 57.302 56.100 -0.031 0.000 0.970 813 R CB -0.151 30.134 30.300 -0.025 0.000 0.864 813 R HN 0.345 nan 8.270 nan 0.000 0.440 814 I N 0.321 120.850 120.570 -0.068 0.000 2.202 814 I HA -0.277 3.909 4.170 0.027 0.000 0.242 814 I C 2.354 178.459 176.117 -0.020 0.000 1.091 814 I CA 1.211 62.468 61.300 -0.071 0.000 1.368 814 I CB -0.303 37.591 38.000 -0.177 0.000 1.058 814 I HN 0.172 nan 8.210 nan 0.000 0.410 815 K N 1.057 121.416 120.400 -0.067 0.000 2.152 815 K HA -0.241 4.095 4.320 0.027 0.000 0.206 815 K C 2.184 178.833 176.600 0.080 0.000 1.048 815 K CA 1.394 57.718 56.287 0.061 0.000 0.933 815 K CB -0.069 32.439 32.500 0.014 0.000 0.721 815 K HN 0.122 nan 8.250 nan 0.000 0.447 816 L N 0.820 122.063 121.223 0.032 0.000 2.005 816 L HA -0.034 4.322 4.340 0.027 0.000 0.207 816 L C 2.221 179.118 176.870 0.045 0.000 1.072 816 L CA 2.142 57.001 54.840 0.032 0.000 0.744 816 L CB -0.895 41.165 42.059 0.002 0.000 0.895 816 L HN 0.190 nan 8.230 nan 0.000 0.433 817 A N -0.634 122.210 122.820 0.041 0.000 1.933 817 A HA -0.215 4.121 4.320 0.027 0.000 0.218 817 A C 2.455 180.086 177.584 0.078 0.000 1.175 817 A CA 2.055 54.121 52.037 0.048 0.000 0.628 817 A CB -1.223 17.801 19.000 0.040 0.000 0.814 817 A HN 0.704 nan 8.150 nan 0.000 0.444 818 S N -0.198 115.573 115.700 0.118 0.000 2.419 818 S HA -0.188 4.298 4.470 0.027 0.000 0.235 818 S C 1.511 176.171 174.600 0.100 0.000 1.019 818 S CA 1.524 59.807 58.200 0.137 0.000 0.982 818 S CB -0.297 63.049 63.200 0.243 0.000 0.789 818 S HN 0.634 nan 8.310 nan 0.000 0.490 819 E N 1.017 121.281 120.200 0.107 0.000 2.166 819 E HA 0.238 4.605 4.350 0.027 0.000 0.192 819 E C 1.934 178.619 176.600 0.142 0.000 0.967 819 E CA 0.253 56.725 56.400 0.120 0.000 0.840 819 E CB -0.309 29.474 29.700 0.138 0.000 0.795 819 E HN 0.497 nan 8.360 nan 0.000 0.470 820 L N 1.610 122.895 121.223 0.104 0.000 2.622 820 L HA -0.071 4.285 4.340 0.027 0.000 0.233 820 L C 2.115 179.019 176.870 0.057 0.000 1.156 820 L CA 0.525 55.403 54.840 0.064 0.000 0.866 820 L CB -0.055 42.001 42.059 -0.006 0.000 0.980 820 L HN 0.045 nan 8.230 nan 0.000 0.448 821 R N -0.174 120.366 120.500 0.067 0.000 2.254 821 R HA 0.064 4.420 4.340 0.027 0.000 0.193 821 R C 0.321 176.653 176.300 0.054 0.000 0.929 821 R CA -0.017 56.115 56.100 0.052 0.000 1.038 821 R CB -0.399 29.928 30.300 0.045 0.000 1.009 821 R HN 0.040 nan 8.270 nan 0.000 0.512 822 K N 1.962 122.403 120.400 0.068 0.000 2.412 822 K HA 0.263 4.600 4.320 0.027 0.000 0.284 822 K C 0.159 176.804 176.600 0.074 0.000 1.046 822 K CA 0.223 56.546 56.287 0.061 0.000 0.999 822 K CB 0.226 32.763 32.500 0.062 0.000 0.941 822 K HN 0.298 nan 8.250 nan 0.000 0.474 823 R N 3.438 123.970 120.500 0.053 0.000 2.566 823 R HA -0.054 4.302 4.340 0.027 0.000 0.273 823 R C 0.142 176.486 176.300 0.074 0.000 0.981 823 R CA 0.677 56.811 56.100 0.055 0.000 1.091 823 R CB -0.748 29.573 30.300 0.035 0.000 0.924 823 R HN 0.875 nan 8.270 nan 0.000 0.411 824 D N 1.252 121.708 120.400 0.094 0.000 2.253 824 D HA 0.110 4.766 4.640 0.027 0.000 0.249 824 D C 0.909 177.253 176.300 0.073 0.000 1.049 824 D CA 0.224 54.296 54.000 0.119 0.000 0.929 824 D CB 1.400 42.315 40.800 0.191 0.000 1.176 824 D HN 0.533 nan 8.370 nan 0.000 0.437 825 T N -2.703 111.887 114.554 0.061 0.000 2.951 825 T HA 0.187 4.553 4.350 0.027 0.000 0.268 825 T C 1.606 176.329 174.700 0.038 0.000 1.073 825 T CA 0.802 62.924 62.100 0.037 0.000 1.134 825 T CB -0.287 68.595 68.868 0.025 0.000 0.884 825 T HN 0.900 nan 8.240 nan 0.000 0.479 826 G N 2.514 111.352 108.800 0.064 0.000 2.176 826 G HA2 -0.225 3.751 3.960 0.027 0.000 0.232 826 G HA3 -0.225 3.751 3.960 0.027 0.000 0.232 826 G C 0.527 175.467 174.900 0.067 0.000 0.986 826 G CA -0.059 45.074 45.100 0.054 0.000 0.643 826 G HN 0.814 nan 8.290 nan 0.000 0.522 827 R N 0.148 120.699 120.500 0.084 0.000 2.522 827 R HA 0.354 4.710 4.340 0.027 0.000 0.373 827 R C 0.059 176.413 176.300 0.089 0.000 1.062 827 R CA 0.188 56.361 56.100 0.121 0.000 1.167 827 R CB -0.455 29.899 30.300 0.091 0.000 1.378 827 R HN 0.531 nan 8.270 nan 0.000 0.662 828 T N -1.197 113.398 114.554 0.069 0.000 2.902 828 T HA 0.518 4.884 4.350 0.027 0.000 0.283 828 T C -0.188 174.467 174.700 -0.075 0.000 1.009 828 T CA -0.851 61.215 62.100 -0.057 0.000 1.051 828 T CB 2.031 70.772 68.868 -0.211 0.000 0.999 828 T HN 0.144 nan 8.240 nan 0.000 0.474 829 L N 3.024 124.157 121.223 -0.150 0.000 2.265 829 L HA 0.489 4.845 4.340 0.027 0.000 0.289 829 L C -1.566 175.188 176.870 -0.193 0.000 1.033 829 L CA -0.840 53.955 54.840 -0.075 0.000 0.814 829 L CB 0.088 42.129 42.059 -0.030 0.000 1.203 829 L HN 0.705 nan 8.230 nan 0.000 0.423 830 Y N 5.913 126.221 120.300 0.012 0.000 2.353 830 Y HA 0.491 5.060 4.550 0.032 0.000 0.340 830 Y C 0.056 175.952 175.900 -0.006 0.000 0.972 830 Y CA -0.367 57.733 58.100 -0.000 0.000 1.157 830 Y CB 1.109 39.548 38.460 -0.035 0.000 1.157 830 Y HN 0.413 nan 8.280 nan 0.000 0.495 831 I N 5.923 126.568 120.570 0.125 0.000 2.330 831 I HA 0.283 4.469 4.170 0.027 0.000 0.289 831 I C -1.120 175.022 176.117 0.042 0.000 1.001 831 I CA -0.678 60.667 61.300 0.075 0.000 1.193 831 I CB 1.009 39.054 38.000 0.075 0.000 1.345 831 I HN 0.377 nan 8.210 nan 0.000 0.461 832 L N 6.134 127.370 121.223 0.021 0.000 2.325 832 L HA 0.381 4.737 4.340 0.027 0.000 0.281 832 L C -0.350 176.510 176.870 -0.017 0.000 1.004 832 L CA -0.359 54.480 54.840 -0.001 0.000 0.823 832 L CB 1.414 43.467 42.059 -0.010 0.000 1.236 832 L HN 0.408 nan 8.230 nan 0.000 0.415 833 D N 3.418 123.800 120.400 -0.029 0.000 2.280 833 D HA 0.122 4.778 4.640 0.027 0.000 0.243 833 D C -0.095 176.191 176.300 -0.022 0.000 1.129 833 D CA -0.113 53.868 54.000 -0.032 0.000 0.848 833 D CB 0.725 41.499 40.800 -0.043 0.000 1.107 833 D HN 0.483 nan 8.370 nan 0.000 0.471 834 E N 3.662 123.849 120.200 -0.023 0.000 1.822 834 E HA -0.179 4.187 4.350 0.027 0.000 0.168 834 E C -1.620 174.974 176.600 -0.010 0.000 1.351 834 E CA -0.032 56.361 56.400 -0.012 0.000 0.547 834 E CB -0.119 29.588 29.700 0.011 0.000 1.036 834 E HN 0.531 nan 8.360 nan 0.000 0.280 835 P HA -0.108 nan 4.420 nan 0.000 0.237 835 P C 0.908 178.193 177.300 -0.024 0.000 1.178 835 P CA 1.091 64.180 63.100 -0.018 0.000 0.766 835 P CB 0.113 31.800 31.700 -0.022 0.000 0.876 836 T N -3.462 111.079 114.554 -0.022 0.000 3.186 836 T HA 0.222 4.588 4.350 0.027 0.000 0.257 836 T C 0.433 175.106 174.700 -0.044 0.000 1.029 836 T CA -0.360 61.715 62.100 -0.041 0.000 0.916 836 T CB -0.769 68.079 68.868 -0.033 0.000 1.041 836 T HN -0.249 nan 8.240 nan 0.000 0.562 837 V N 1.846 121.749 119.914 -0.019 0.000 2.508 837 V HA 0.550 4.686 4.120 0.027 0.000 0.281 837 V C 1.634 177.728 176.094 -0.001 0.000 1.041 837 V CA 0.687 62.990 62.300 0.004 0.000 1.016 837 V CB 0.062 31.892 31.823 0.013 0.000 0.984 837 V HN 0.801 nan 8.190 nan 0.000 0.478 838 G N 4.326 113.155 108.800 0.048 0.000 2.159 838 G HA2 -0.208 3.768 3.960 0.027 0.000 0.256 838 G HA3 -0.208 3.768 3.960 0.027 0.000 0.256 838 G C -0.093 174.718 174.900 -0.148 0.000 0.977 838 G CA 0.034 45.190 45.100 0.093 0.000 0.652 838 G HN 0.537 nan 8.290 nan 0.000 0.531 839 L N 0.792 121.788 121.223 -0.377 0.000 2.317 839 L HA 0.486 4.842 4.340 0.027 0.000 0.281 839 L C 0.947 177.276 176.870 -0.902 0.000 1.024 839 L CA -1.172 53.383 54.840 -0.475 0.000 0.810 839 L CB 1.429 43.355 42.059 -0.221 0.000 1.240 839 L HN 0.279 nan 8.230 nan 0.000 0.427 840 H N 1.876 120.493 119.070 -0.755 0.000 2.546 840 H HA 0.086 4.657 4.556 0.026 0.000 0.365 840 H C 0.589 175.684 175.328 -0.389 0.000 1.220 840 H CA -0.159 55.530 56.048 -0.598 0.000 1.386 840 H CB 1.172 30.749 29.762 -0.309 0.000 1.510 840 H HN 0.427 nan 8.280 nan 0.000 0.591 841 F N 1.490 120.922 119.950 -0.864 0.000 2.082 841 F HA -0.272 4.270 4.527 0.025 0.000 0.298 841 F C 2.585 178.085 175.800 -0.499 0.000 1.091 841 F CA 1.975 59.529 58.000 -0.744 0.000 1.230 841 F CB -0.879 37.370 39.000 -1.252 0.000 0.983 841 F HN 0.607 nan 8.300 nan 0.000 0.485 842 E N 0.425 120.671 120.200 0.076 0.000 2.072 842 E HA -0.156 4.210 4.350 0.027 0.000 0.191 842 E C 1.800 178.421 176.600 0.036 0.000 0.985 842 E CA 1.767 58.199 56.400 0.053 0.000 0.801 842 E CB -0.447 29.315 29.700 0.104 0.000 0.750 842 E HN 0.371 nan 8.360 nan 0.000 0.452 843 D N -0.325 120.081 120.400 0.010 0.000 2.178 843 D HA -0.103 4.553 4.640 0.027 0.000 0.202 843 D C 1.960 178.243 176.300 -0.028 0.000 0.974 843 D CA 1.050 55.037 54.000 -0.021 0.000 0.841 843 D CB 0.152 40.920 40.800 -0.052 0.000 0.953 843 D HN 0.139 nan 8.370 nan 0.000 0.478 844 V N 1.439 121.328 119.914 -0.042 0.000 2.427 844 V HA -0.197 3.939 4.120 0.027 0.000 0.248 844 V C 2.583 178.681 176.094 0.007 0.000 1.051 844 V CA 1.208 63.492 62.300 -0.027 0.000 1.048 844 V CB -0.430 31.377 31.823 -0.025 0.000 0.666 844 V HN 0.131 nan 8.190 nan 0.000 0.456 845 R N 0.670 121.189 120.500 0.031 0.000 2.082 845 R HA -0.179 4.177 4.340 0.027 0.000 0.234 845 R C 2.387 178.717 176.300 0.049 0.000 1.136 845 R CA 1.836 57.978 56.100 0.070 0.000 0.935 845 R CB -0.313 30.071 30.300 0.140 0.000 0.842 845 R HN 0.472 nan 8.270 nan 0.000 0.430 846 K N 0.506 120.928 120.400 0.037 0.000 2.281 846 K HA -0.181 4.155 4.320 0.027 0.000 0.203 846 K C 2.032 178.633 176.600 0.002 0.000 1.046 846 K CA 0.980 57.278 56.287 0.018 0.000 0.938 846 K CB -0.201 32.296 32.500 -0.005 0.000 0.737 846 K HN 0.128 nan 8.250 nan 0.000 0.458 847 L N 1.000 122.219 121.223 -0.007 0.000 2.034 847 L HA -0.132 4.224 4.340 0.027 0.000 0.203 847 L C 2.205 179.052 176.870 -0.038 0.000 1.074 847 L CA 1.290 56.114 54.840 -0.027 0.000 0.748 847 L CB -0.614 41.428 42.059 -0.028 0.000 0.905 847 L HN 0.019 nan 8.230 nan 0.000 0.439 848 V N -2.374 117.525 119.914 -0.025 0.000 2.469 848 V HA -0.275 3.861 4.120 0.027 0.000 0.251 848 V C 2.311 178.327 176.094 -0.129 0.000 1.064 848 V CA 1.972 64.234 62.300 -0.063 0.000 1.066 848 V CB -1.229 30.561 31.823 -0.056 0.000 0.667 848 V HN 0.648 nan 8.190 nan 0.000 0.461 849 E N 0.564 120.754 120.200 -0.016 0.000 2.005 849 E HA -0.187 4.179 4.350 0.027 0.000 0.198 849 E C 2.230 178.853 176.600 0.038 0.000 1.010 849 E CA 2.261 58.694 56.400 0.057 0.000 0.825 849 E CB -0.289 29.451 29.700 0.067 0.000 0.769 849 E HN 0.438 nan 8.360 nan 0.000 0.456 850 V N 1.335 121.249 119.914 0.001 0.000 2.313 850 V HA -0.325 3.811 4.120 0.027 0.000 0.253 850 V C 2.432 178.481 176.094 -0.074 0.000 1.070 850 V CA 1.828 64.112 62.300 -0.026 0.000 1.057 850 V CB -0.488 31.308 31.823 -0.045 0.000 0.653 850 V HN 0.356 nan 8.190 nan 0.000 0.450 851 L N -1.477 119.669 121.223 -0.129 0.000 2.056 851 L HA -0.166 4.190 4.340 0.027 0.000 0.207 851 L C 2.634 179.422 176.870 -0.136 0.000 1.078 851 L CA 1.436 56.127 54.840 -0.248 0.000 0.749 851 L CB -0.799 41.019 42.059 -0.401 0.000 0.901 851 L HN 0.406 nan 8.230 nan 0.000 0.433 852 H N 0.415 119.504 119.070 0.032 0.000 2.290 852 H HA -0.138 4.430 4.556 0.020 0.000 0.298 852 H C 2.380 177.727 175.328 0.030 0.000 1.087 852 H CA 1.391 57.499 56.048 0.100 0.000 1.291 852 H CB -0.253 29.592 29.762 0.137 0.000 1.369 852 H HN 0.216 nan 8.280 nan 0.000 0.492 853 R N -0.139 120.447 120.500 0.143 0.000 2.170 853 R HA -0.143 4.213 4.340 0.027 0.000 0.242 853 R C 2.218 178.531 176.300 0.022 0.000 1.145 853 R CA 0.897 57.038 56.100 0.069 0.000 0.984 853 R CB -0.313 30.014 30.300 0.046 0.000 0.869 853 R HN 0.147 nan 8.270 nan 0.000 0.455 854 L N 0.260 121.463 121.223 -0.033 0.000 2.240 854 L HA -0.081 4.275 4.340 0.027 0.000 0.211 854 L C 2.222 179.080 176.870 -0.020 0.000 1.106 854 L CA 0.987 55.770 54.840 -0.095 0.000 0.793 854 L CB 0.134 42.018 42.059 -0.292 0.000 0.927 854 L HN 0.031 nan 8.230 nan 0.000 0.446 855 V N -4.339 115.589 119.914 0.023 0.000 2.725 855 V HA -0.046 4.091 4.120 0.027 0.000 0.247 855 V C 1.934 178.085 176.094 0.096 0.000 1.058 855 V CA 1.205 63.553 62.300 0.081 0.000 1.080 855 V CB -0.616 31.280 31.823 0.121 0.000 0.713 855 V HN 0.238 nan 8.190 nan 0.000 0.465 856 D N 1.621 122.069 120.400 0.080 0.000 2.158 856 D HA -0.169 4.487 4.640 0.027 0.000 0.197 856 D C 2.090 178.423 176.300 0.054 0.000 0.995 856 D CA 1.635 55.673 54.000 0.064 0.000 0.846 856 D CB -0.351 40.480 40.800 0.051 0.000 0.941 856 D HN 0.543 nan 8.370 nan 0.000 0.456 857 R N -0.143 120.388 120.500 0.053 0.000 2.340 857 R HA 0.231 4.587 4.340 0.027 0.000 0.215 857 R C 1.079 177.411 176.300 0.054 0.000 1.017 857 R CA 0.469 56.596 56.100 0.045 0.000 1.111 857 R CB -0.026 30.302 30.300 0.046 0.000 1.049 857 R HN 0.113 nan 8.270 nan 0.000 0.490 858 G N 1.113 109.960 108.800 0.078 0.000 2.160 858 G HA2 -0.241 3.736 3.960 0.027 0.000 0.244 858 G HA3 -0.241 3.736 3.960 0.027 0.000 0.244 858 G C -0.376 174.644 174.900 0.200 0.000 1.022 858 G CA -0.372 44.793 45.100 0.108 0.000 0.741 858 G HN 0.324 nan 8.290 nan 0.000 0.508 859 N N 0.230 119.040 118.700 0.184 0.000 2.456 859 N HA 0.542 5.298 4.740 0.027 0.000 0.296 859 N C -0.127 175.507 175.510 0.207 0.000 1.102 859 N CA 0.030 53.212 53.050 0.220 0.000 0.924 859 N CB 1.293 39.927 38.487 0.244 0.000 1.186 859 N HN 0.112 nan 8.380 nan 0.000 0.492 860 T N 0.794 115.474 114.554 0.209 0.000 2.799 860 T HA 0.374 4.740 4.350 0.027 0.000 0.286 860 T C 0.014 174.812 174.700 0.163 0.000 0.973 860 T CA -0.399 61.790 62.100 0.148 0.000 1.035 860 T CB 1.054 69.977 68.868 0.090 0.000 0.932 860 T HN 0.046 nan 8.240 nan 0.000 0.469 861 V N 5.203 125.160 119.914 0.072 0.000 2.407 861 V HA 0.446 4.582 4.120 0.027 0.000 0.291 861 V C -0.296 175.798 176.094 0.001 0.000 1.018 861 V CA -0.762 61.531 62.300 -0.012 0.000 0.842 861 V CB 1.299 32.945 31.823 -0.296 0.000 0.996 861 V HN 0.800 nan 8.190 nan 0.000 0.426 862 I N 6.263 126.860 120.570 0.045 0.000 2.339 862 I HA 0.575 4.761 4.170 0.027 0.000 0.290 862 I C -0.286 175.857 176.117 0.044 0.000 0.994 862 I CA -0.802 60.538 61.300 0.066 0.000 1.191 862 I CB 1.830 39.869 38.000 0.064 0.000 1.343 862 I HN 0.482 nan 8.210 nan 0.000 0.458 863 V N 5.580 125.538 119.914 0.074 0.000 2.604 863 V HA 0.583 4.719 4.120 0.027 0.000 0.305 863 V C -0.416 175.692 176.094 0.023 0.000 1.043 863 V CA -0.663 61.665 62.300 0.047 0.000 0.888 863 V CB 1.972 33.837 31.823 0.070 0.000 0.995 863 V HN 0.549 nan 8.190 nan 0.000 0.429 864 I N 4.484 125.042 120.570 -0.020 0.000 2.301 864 I HA 0.578 4.765 4.170 0.027 0.000 0.292 864 I C 0.098 176.143 176.117 -0.120 0.000 1.046 864 I CA 0.257 61.511 61.300 -0.075 0.000 1.282 864 I CB 0.625 38.580 38.000 -0.075 0.000 1.409 864 I HN 0.688 nan 8.210 nan 0.000 0.484 865 E N 4.069 124.160 120.200 -0.183 0.000 2.383 865 E HA 0.331 4.698 4.350 0.027 0.000 0.275 865 E C -0.717 175.673 176.600 -0.350 0.000 0.918 865 E CA -0.599 55.685 56.400 -0.193 0.000 0.764 865 E CB 1.853 31.515 29.700 -0.064 0.000 1.252 865 E HN 0.497 nan 8.360 nan 0.000 0.449 866 H N -0.492 118.522 119.070 -0.093 0.000 2.827 866 H HA 0.156 4.728 4.556 0.027 0.000 0.269 866 H C 0.416 175.646 175.328 -0.163 0.000 1.031 866 H CA -0.200 55.737 56.048 -0.185 0.000 1.202 866 H CB 0.672 30.318 29.762 -0.195 0.000 1.511 866 H HN 0.125 nan 8.280 nan 0.000 0.517 867 N N 1.884 120.583 118.700 -0.001 0.000 2.416 867 N HA -0.037 4.719 4.740 0.027 0.000 0.265 867 N C 0.907 176.406 175.510 -0.019 0.000 1.195 867 N CA 0.153 53.200 53.050 -0.005 0.000 0.943 867 N CB 0.666 39.157 38.487 0.006 0.000 1.115 867 N HN 0.360 nan 8.380 nan 0.000 0.481 868 L N 2.527 123.741 121.223 -0.015 0.000 2.083 868 L HA -0.140 4.216 4.340 0.027 0.000 0.209 868 L C 1.402 178.268 176.870 -0.006 0.000 1.083 868 L CA 0.915 55.750 54.840 -0.008 0.000 0.752 868 L CB -0.147 41.923 42.059 0.018 0.000 0.899 868 L HN 0.485 nan 8.230 nan 0.000 0.433 869 D N -0.530 119.874 120.400 0.006 0.000 2.263 869 D HA -0.126 4.530 4.640 0.027 0.000 0.208 869 D C 2.174 178.467 176.300 -0.011 0.000 0.971 869 D CA 1.006 55.010 54.000 0.006 0.000 0.867 869 D CB 0.185 41.001 40.800 0.026 0.000 0.929 869 D HN 0.187 nan 8.370 nan 0.000 0.492 870 V N 0.663 120.569 119.914 -0.014 0.000 2.878 870 V HA -0.030 4.106 4.120 0.027 0.000 0.250 870 V C 2.298 178.332 176.094 -0.100 0.000 1.075 870 V CA 0.479 62.768 62.300 -0.018 0.000 1.096 870 V CB 0.109 31.954 31.823 0.037 0.000 0.724 870 V HN 0.133 nan 8.190 nan 0.000 0.467 871 I N -0.146 120.374 120.570 -0.083 0.000 2.500 871 I HA -0.140 4.046 4.170 0.027 0.000 0.252 871 I C 2.276 178.310 176.117 -0.137 0.000 1.142 871 I CA 1.068 62.301 61.300 -0.112 0.000 1.451 871 I CB -0.333 37.628 38.000 -0.064 0.000 1.093 871 I HN 0.232 nan 8.210 nan 0.000 0.430 872 K N 1.012 121.356 120.400 -0.094 0.000 2.281 872 K HA -0.154 4.182 4.320 0.027 0.000 0.203 872 K C 1.139 177.670 176.600 -0.116 0.000 1.046 872 K CA 1.291 57.533 56.287 -0.076 0.000 0.938 872 K CB -0.309 32.170 32.500 -0.036 0.000 0.737 872 K HN 0.323 nan 8.250 nan 0.000 0.458 873 N N 0.203 118.775 118.700 -0.213 0.000 2.280 873 N HA 0.072 4.828 4.740 0.027 0.000 0.192 873 N C -0.117 175.076 175.510 -0.528 0.000 1.109 873 N CA 0.130 53.040 53.050 -0.234 0.000 0.855 873 N CB 0.375 38.773 38.487 -0.149 0.000 0.974 873 N HN 0.136 nan 8.380 nan 0.000 0.482 874 A N 0.481 122.912 122.820 -0.649 0.000 2.386 874 A HA 0.172 4.508 4.320 0.027 0.000 0.248 874 A C 0.524 178.010 177.584 -0.164 0.000 1.082 874 A CA -0.080 51.617 52.037 -0.567 0.000 0.789 874 A CB 0.408 19.224 19.000 -0.306 0.000 1.025 874 A HN 0.133 nan 8.150 nan 0.000 0.490 875 D N -0.930 119.475 120.400 0.008 0.000 2.338 875 D HA 0.062 4.718 4.640 0.027 0.000 0.208 875 D C 0.390 176.781 176.300 0.151 0.000 0.997 875 D CA 0.949 54.993 54.000 0.074 0.000 0.880 875 D CB 0.150 41.016 40.800 0.110 0.000 0.980 875 D HN 0.711 nan 8.370 nan 0.000 0.509 876 H N -0.398 118.694 119.070 0.037 0.000 2.797 876 H HA 0.595 5.167 4.556 0.026 0.000 0.372 876 H C -1.115 174.233 175.328 0.034 0.000 1.168 876 H CA -0.595 55.474 56.048 0.034 0.000 1.163 876 H CB 2.279 32.067 29.762 0.044 0.000 1.778 876 H HN -0.197 nan 8.280 nan 0.000 0.551 877 I N 4.104 124.331 120.570 -0.572 0.000 2.722 877 I HA 0.260 4.446 4.170 0.027 0.000 0.295 877 I C -0.822 174.978 176.117 -0.528 0.000 1.161 877 I CA -0.694 60.384 61.300 -0.371 0.000 1.032 877 I CB 2.665 40.557 38.000 -0.181 0.000 1.244 877 I HN 0.405 nan 8.210 nan 0.000 0.421 878 I N 4.000 124.419 120.570 -0.252 0.000 2.411 878 I HA 0.261 4.447 4.170 0.027 0.000 0.284 878 I C -1.128 174.961 176.117 -0.047 0.000 1.012 878 I CA -0.408 60.809 61.300 -0.137 0.000 1.119 878 I CB 1.634 39.602 38.000 -0.052 0.000 1.261 878 I HN 0.426 nan 8.210 nan 0.000 0.448 879 D N 7.335 127.728 120.400 -0.012 0.000 2.274 879 D HA 0.507 5.164 4.640 0.027 0.000 0.239 879 D C -0.670 175.671 176.300 0.068 0.000 1.104 879 D CA -0.050 53.974 54.000 0.041 0.000 0.840 879 D CB 1.104 41.942 40.800 0.064 0.000 1.100 879 D HN 0.306 nan 8.370 nan 0.000 0.477 880 L N 2.904 124.171 121.223 0.075 0.000 2.352 880 L HA 0.885 5.241 4.340 0.027 0.000 0.269 880 L C 1.172 178.105 176.870 0.105 0.000 1.034 880 L CA -0.583 54.307 54.840 0.083 0.000 0.806 880 L CB 1.642 43.732 42.059 0.051 0.000 1.244 880 L HN 0.639 nan 8.230 nan 0.000 0.447 881 G N 0.916 109.789 108.800 0.122 0.000 2.491 881 G HA2 0.043 4.019 3.960 0.027 0.000 0.183 881 G HA3 0.043 4.019 3.960 0.027 0.000 0.183 881 G C -2.730 172.295 174.900 0.209 0.000 1.221 881 G CA -0.256 44.925 45.100 0.136 0.000 0.996 881 G HN 0.327 nan 8.290 nan 0.000 0.474 882 P HA 0.193 nan 4.420 nan 0.000 0.229 882 P C 0.281 177.710 177.300 0.215 0.000 1.160 882 P CA 1.104 64.304 63.100 0.166 0.000 0.777 882 P CB 0.304 32.051 31.700 0.078 0.000 0.814 883 E N -0.953 119.316 120.200 0.116 0.000 2.476 883 E HA 0.557 4.923 4.350 0.027 0.000 0.246 883 E C 0.382 176.941 176.600 -0.068 0.000 0.872 883 E CA -0.873 55.533 56.400 0.010 0.000 0.867 883 E CB 0.254 29.974 29.700 0.034 0.000 1.533 883 E HN -0.125 nan 8.360 nan 0.000 0.399 884 G N -1.502 107.193 108.800 -0.175 0.000 2.552 884 G HA2 0.520 4.496 3.960 0.027 0.000 0.318 884 G HA3 0.520 4.496 3.960 0.027 0.000 0.318 884 G C 0.398 175.272 174.900 -0.042 0.000 1.240 884 G CA 0.160 45.077 45.100 -0.304 0.000 1.002 884 G HN 0.619 nan 8.290 nan 0.000 0.493 885 G N 0.013 108.858 108.800 0.075 0.000 2.547 885 G HA2 -0.304 3.672 3.960 0.027 0.000 0.271 885 G HA3 -0.304 3.672 3.960 0.027 0.000 0.271 885 G C 1.319 176.254 174.900 0.058 0.000 1.209 885 G CA 1.054 46.257 45.100 0.172 0.000 0.959 885 G HN 1.324 nan 8.290 nan 0.000 0.563 886 K N 0.485 120.914 120.400 0.049 0.000 2.439 886 K HA 0.104 4.440 4.320 0.027 0.000 0.197 886 K C 1.195 177.821 176.600 0.043 0.000 1.041 886 K CA 1.683 57.983 56.287 0.021 0.000 0.970 886 K CB 0.180 32.689 32.500 0.016 0.000 0.773 886 K HN 0.311 nan 8.250 nan 0.000 0.479 887 E N 1.432 121.673 120.200 0.068 0.000 2.368 887 E HA 0.156 4.522 4.350 0.027 0.000 0.188 887 E C 0.258 176.943 176.600 0.142 0.000 1.061 887 E CA 0.023 56.490 56.400 0.111 0.000 0.933 887 E CB 0.776 30.528 29.700 0.087 0.000 1.091 887 E HN 0.517 nan 8.360 nan 0.000 0.458 888 G N -1.866 106.986 108.800 0.087 0.000 3.243 888 G HA2 0.478 4.454 3.960 0.027 0.000 0.248 888 G HA3 0.478 4.454 3.960 0.027 0.000 0.248 888 G C 0.460 175.330 174.900 -0.049 0.000 1.267 888 G CA -0.083 45.066 45.100 0.082 0.000 0.906 888 G HN 0.031 nan 8.290 nan 0.000 0.592 889 G N -2.133 106.631 108.800 -0.060 0.000 2.141 889 G HA2 -0.221 3.755 3.960 0.027 0.000 0.242 889 G HA3 -0.221 3.755 3.960 0.027 0.000 0.242 889 G C -0.146 174.621 174.900 -0.222 0.000 0.982 889 G CA 0.619 45.624 45.100 -0.158 0.000 0.662 889 G HN 0.662 nan 8.290 nan 0.000 0.527 890 Y N -0.332 119.980 120.300 0.020 0.000 2.409 890 Y HA 0.598 5.164 4.550 0.026 0.000 0.339 890 Y C 1.235 177.155 175.900 0.032 0.000 1.033 890 Y CA -1.216 56.900 58.100 0.026 0.000 1.094 890 Y CB 1.236 39.711 38.460 0.024 0.000 1.210 890 Y HN 0.080 nan 8.280 nan 0.000 0.456 891 I N 4.946 125.639 120.570 0.205 0.000 2.357 891 I HA -0.040 4.146 4.170 0.027 0.000 0.300 891 I C 1.236 177.437 176.117 0.141 0.000 1.159 891 I CA -0.038 61.344 61.300 0.138 0.000 1.339 891 I CB 0.188 38.253 38.000 0.108 0.000 1.458 891 I HN 0.649 nan 8.210 nan 0.000 0.577 892 V N 3.559 123.550 119.914 0.129 0.000 2.667 892 V HA 0.225 4.361 4.120 0.027 0.000 0.252 892 V C 0.885 177.035 176.094 0.094 0.000 1.065 892 V CA 1.098 63.461 62.300 0.104 0.000 1.083 892 V CB -0.515 31.364 31.823 0.095 0.000 0.692 892 V HN 0.749 nan 8.190 nan 0.000 0.468 893 A N -0.544 122.321 122.820 0.075 0.000 2.597 893 A HA 0.751 5.087 4.320 0.027 0.000 0.292 893 A C -0.297 177.302 177.584 0.026 0.000 1.057 893 A CA 0.131 52.198 52.037 0.050 0.000 0.674 893 A CB 1.088 20.114 19.000 0.043 0.000 1.278 893 A HN 1.202 nan 8.150 nan 0.000 0.416 894 T N -1.987 112.579 114.554 0.020 0.000 2.739 894 T HA 0.975 5.341 4.350 0.027 0.000 0.303 894 T C 0.268 174.994 174.700 0.042 0.000 1.389 894 T CA 0.281 62.375 62.100 -0.010 0.000 1.001 894 T CB 0.946 69.876 68.868 0.103 0.000 1.436 894 T HN 2.931 nan 8.240 nan 0.000 0.500 895 G N 0.480 109.326 108.800 0.076 0.000 2.362 895 G HA2 0.385 4.361 3.960 0.027 0.000 0.517 895 G HA3 0.385 4.361 3.960 0.027 0.000 0.517 895 G C -0.098 174.884 174.900 0.136 0.000 1.256 895 G CA 0.315 45.536 45.100 0.203 0.000 1.027 895 G HN 2.063 nan 8.290 nan 0.000 0.491 896 T N -0.965 113.656 114.554 0.112 0.000 2.828 896 T HA 0.591 4.957 4.350 0.027 0.000 0.290 896 T C -0.870 173.837 174.700 0.012 0.000 1.019 896 T CA -0.279 61.858 62.100 0.062 0.000 1.031 896 T CB 1.556 70.454 68.868 0.050 0.000 1.001 896 T HN 0.296 nan 8.240 nan 0.000 0.531 897 P HA -0.143 nan 4.420 nan 0.000 0.218 897 P C 1.206 178.504 177.300 -0.003 0.000 1.154 897 P CA 1.337 64.428 63.100 -0.016 0.000 0.872 897 P CB 0.047 31.730 31.700 -0.027 0.000 0.790 898 E N -0.361 119.838 120.200 -0.001 0.000 2.028 898 E HA -0.157 4.209 4.350 0.027 0.000 0.191 898 E C 1.985 178.584 176.600 -0.001 0.000 0.988 898 E CA 1.102 57.501 56.400 -0.001 0.000 0.799 898 E CB -0.872 28.827 29.700 -0.001 0.000 0.755 898 E HN 0.411 nan 8.360 nan 0.000 0.447 899 E N 0.060 120.264 120.200 0.006 0.000 2.171 899 E HA -0.213 4.153 4.350 0.027 0.000 0.197 899 E C 1.929 178.528 176.600 -0.002 0.000 0.997 899 E CA 0.892 57.295 56.400 0.005 0.000 0.810 899 E CB -0.158 29.556 29.700 0.024 0.000 0.738 899 E HN 0.195 nan 8.360 nan 0.000 0.467 900 I N 0.756 121.326 120.570 0.001 0.000 2.406 900 I HA -0.117 4.069 4.170 0.027 0.000 0.249 900 I C 2.202 178.323 176.117 0.007 0.000 1.122 900 I CA 0.743 62.045 61.300 0.003 0.000 1.431 900 I CB -0.077 37.925 38.000 0.004 0.000 1.087 900 I HN -0.009 nan 8.210 nan 0.000 0.424 901 A N -0.418 122.405 122.820 0.005 0.000 2.119 901 A HA -0.119 4.217 4.320 0.027 0.000 0.217 901 A C 2.150 179.726 177.584 -0.013 0.000 1.153 901 A CA 1.151 53.191 52.037 0.004 0.000 0.692 901 A CB -0.394 18.608 19.000 0.004 0.000 0.799 901 A HN 0.348 nan 8.150 nan 0.000 0.458 902 K N -0.367 120.020 120.400 -0.020 0.000 2.356 902 K HA 0.044 4.380 4.320 0.027 0.000 0.195 902 K C 0.271 176.840 176.600 -0.051 0.000 1.037 902 K CA -0.179 56.088 56.287 -0.034 0.000 1.014 902 K CB 0.107 32.587 32.500 -0.033 0.000 0.815 902 K HN 0.274 nan 8.250 nan 0.000 0.507 903 N N 2.587 121.257 118.700 -0.049 0.000 2.399 903 N HA 0.024 4.780 4.740 0.027 0.000 0.259 903 N C -2.169 173.309 175.510 -0.053 0.000 1.160 903 N CA -1.392 51.611 53.050 -0.079 0.000 0.946 903 N CB 1.210 39.662 38.487 -0.058 0.000 1.156 903 N HN -0.058 nan 8.380 nan 0.000 0.489 904 P HA 0.076 nan 4.420 nan 0.000 0.249 904 P C 0.018 177.373 177.300 0.092 0.000 1.229 904 P CA 0.512 63.608 63.100 -0.006 0.000 0.788 904 P CB 0.168 31.869 31.700 0.001 0.000 1.072 905 H N -0.851 118.155 119.070 -0.105 0.000 2.536 905 H HA 0.299 4.871 4.556 0.027 0.000 0.276 905 H C 0.322 175.563 175.328 -0.144 0.000 1.019 905 H CA -0.340 55.633 56.048 -0.124 0.000 1.159 905 H CB -0.120 29.595 29.762 -0.080 0.000 1.373 905 H HN 0.078 nan 8.280 nan 0.000 0.584 906 S N -0.553 115.126 115.700 -0.034 0.000 2.619 906 S HA 0.199 4.685 4.470 0.027 0.000 0.280 906 S C 0.276 174.856 174.600 -0.033 0.000 1.150 906 S CA -0.720 57.467 58.200 -0.020 0.000 0.978 906 S CB 0.554 63.794 63.200 0.067 0.000 1.041 906 S HN 0.066 nan 8.310 nan 0.000 0.485 907 Y N 3.009 123.368 120.300 0.098 0.000 2.200 907 Y HA -0.052 4.513 4.550 0.026 0.000 0.290 907 Y C 2.877 179.018 175.900 0.402 0.000 1.137 907 Y CA 1.938 60.145 58.100 0.178 0.000 1.163 907 Y CB -0.953 37.489 38.460 -0.030 0.000 0.988 907 Y HN 0.716 nan 8.280 nan 0.000 0.518 908 T N -0.654 114.234 114.554 0.557 0.000 2.665 908 T HA -0.244 4.122 4.350 0.027 0.000 0.268 908 T C 2.298 177.192 174.700 0.323 0.000 1.035 908 T CA 1.577 63.972 62.100 0.492 0.000 1.151 908 T CB -1.101 67.964 68.868 0.329 0.000 0.862 908 T HN 0.589 nan 8.240 nan 0.000 0.438 909 G N 1.025 109.949 108.800 0.207 0.000 2.422 909 G HA2 -0.226 3.750 3.960 0.027 0.000 0.218 909 G HA3 -0.226 3.750 3.960 0.027 0.000 0.218 909 G C 1.659 176.610 174.900 0.086 0.000 1.146 909 G CA 0.347 45.513 45.100 0.111 0.000 0.769 909 G HN 0.408 nan 8.290 nan 0.000 0.547 910 R N -1.097 119.457 120.500 0.090 0.000 2.241 910 R HA 0.042 4.398 4.340 0.027 0.000 0.224 910 R C 1.588 177.740 176.300 -0.246 0.000 1.101 910 R CA 0.816 56.861 56.100 -0.092 0.000 0.995 910 R CB -0.163 30.041 30.300 -0.159 0.000 0.870 910 R HN 0.502 nan 8.270 nan 0.000 0.463 911 F N -2.047 117.967 119.950 0.107 0.000 2.680 911 F HA 0.051 4.594 4.527 0.026 0.000 0.290 911 F C 1.453 177.284 175.800 0.051 0.000 1.114 911 F CA -0.280 57.772 58.000 0.087 0.000 1.333 911 F CB 0.056 39.128 39.000 0.119 0.000 1.091 911 F HN -0.097 nan 8.300 nan 0.000 0.606 912 L N 0.911 122.259 121.223 0.209 0.000 2.549 912 L HA -0.051 4.305 4.340 0.027 0.000 0.229 912 L C 1.889 178.793 176.870 0.057 0.000 1.158 912 L CA 1.489 56.394 54.840 0.108 0.000 0.842 912 L CB -0.802 41.307 42.059 0.084 0.000 0.952 912 L HN -0.012 nan 8.230 nan 0.000 0.452 913 K N -0.495 119.929 120.400 0.038 0.000 2.103 913 K HA -0.026 4.310 4.320 0.027 0.000 0.204 913 K C 0.993 177.596 176.600 0.005 0.000 1.052 913 K CA 1.455 57.743 56.287 0.003 0.000 0.945 913 K CB -0.099 32.382 32.500 -0.031 0.000 0.722 913 K HN 0.531 nan 8.250 nan 0.000 0.443 914 N N 0.573 119.285 118.700 0.020 0.000 2.313 914 N HA -0.038 4.718 4.740 0.027 0.000 0.207 914 N C 0.795 176.322 175.510 0.027 0.000 1.141 914 N CA 0.064 53.127 53.050 0.020 0.000 0.830 914 N CB 0.696 39.201 38.487 0.029 0.000 1.008 914 N HN -0.006 nan 8.380 nan 0.000 0.481 915 V N -3.799 116.131 119.914 0.027 0.000 3.451 915 V HA 0.347 4.483 4.120 0.027 0.000 0.288 915 V C 0.368 176.466 176.094 0.006 0.000 1.502 915 V CA -0.249 62.061 62.300 0.017 0.000 1.026 915 V CB -0.271 31.567 31.823 0.024 0.000 0.840 915 V HN 0.031 nan 8.190 nan 0.000 0.437 916 L N 0.000 121.226 121.223 0.006 0.000 2.949 916 L HA 0.000 4.356 4.340 0.027 0.000 0.249 916 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 916 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 916 L HN 0.000 nan 8.230 nan 0.000 0.502