REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ibv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSAQDVENAV EAALDPSVGP IIKQQATDFI GSLRSSSTGW KICHEIFSEK DATA SEQUENCE TKYKPSTRLI CLQTLSEKVR EWNNESNLLE LQMIRDSVWS YIKELSFLDE DATA SEQUENCE PAYISNAVQH LLTLLFLQLY PSNWNDFFAS LQGVIAASSQ SEFSNFYLKV DATA SEQUENCE LLSIGDEIAD SLVLKTDVQI QKDNLVKDAI RANDMSDIVS FVYEMMLAYS DATA SEQUENCE NAKNYGTVGL CLQVYAQWVS WININLIVNE PCMNLLYSFL QIEELRCAAC DATA SEQUENCE ETMTEIVNKK MKPLEKLNLL NILNLNLFFS KXXXXXTDPN FDEHVAKLIN DATA SEQUENCE AQGVELVAIK SDPSXXSPEL KENCSFQLYN LFPYLIRYLS DDYDETSTAV DATA SEQUENCE FPFLSDLLVS LRKESSSKEL SASLKEFLKS LLEAIIKKMK YDESQEWDDD DATA SEQUENCE PDSEEEAEFQ EMRKKLKIFQ DTINSIDSSL FSSYMYSAIT SSLSTAATLS DATA SEQUENCE PENSWQLIEF ALYETYIFGE GLRGPDAFFN EVDKSPTVLS QILALVTTSQ DATA SEQUENCE VCRHPHPLVQ LLYMEILVRY ASFFDYESAA IPALIEYFVG PRGIHNTNER DATA SEQUENCE VRPRAWYLFY RFVKSIKKQV VNYTESSLAM LGDLLNISVS PVTXXDAPVP DATA SEQUENCE TLNSSIRNSD FNSQLYLFET VGVLISSGNL TPEEQALYCD SLINALIGKA DATA SEQUENCE NAALSSDLSX XENIISVYCS LMAIGNFAKG FPARGXEEVA WLASFNKASD DATA SEQUENCE EIFLILDRMG FNEDIRGAVR FTSGRIINVV GPDMLPKVPQ LISILLNSID DATA SEQUENCE MNELVDVLSF ISQLIHIYKD NMMEITNRML PTLLMRIFSS LSAXXXXTDD DATA SEQUENCE AVKQNDLRKS YISFILQLLN KGFGSILFTE ENQVYFDPLI NSILHFAXXX DATA SEQUENCE XXPATQKSSI ALVSKMVSLX XXXXXXAGFE NFTLSLTPLC FEMPVNXXXX DATA SEQUENCE XXXXXXLVVL GELAGLQKII LEKLGDIYKS YLVTVYFPTX XXXDVMASEY DATA SEQUENCE LQAXXXXXXX XXXXXXXXXI QALKS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.329 176.300 0.049 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 S N 1.837 117.573 115.700 0.060 0.000 2.392 2 S HA -0.129 4.338 4.470 -0.005 0.000 0.232 2 S C 1.592 176.275 174.600 0.138 0.000 1.041 2 S CA 2.105 60.358 58.200 0.089 0.000 1.026 2 S CB -0.151 63.088 63.200 0.064 0.000 0.845 2 S HN 0.868 nan 8.310 nan 0.000 0.465 3 A N 0.885 123.800 122.820 0.157 0.000 1.855 3 A HA -0.102 4.215 4.320 -0.005 0.000 0.215 3 A C 2.078 179.788 177.584 0.210 0.000 1.191 3 A CA 1.188 53.381 52.037 0.260 0.000 0.613 3 A CB -0.728 18.547 19.000 0.458 0.000 0.829 3 A HN 0.370 nan 8.150 nan 0.000 0.442 4 Q N 0.010 119.872 119.800 0.105 0.000 2.248 4 Q HA -0.209 4.128 4.340 -0.005 0.000 0.208 4 Q C 1.349 177.365 176.000 0.028 0.000 0.984 4 Q CA 1.677 57.497 55.803 0.028 0.000 0.875 4 Q CB -0.407 28.321 28.738 -0.016 0.000 0.910 4 Q HN 0.631 nan 8.270 nan 0.000 0.433 5 D N -0.836 119.589 120.400 0.040 0.000 2.123 5 D HA -0.094 4.544 4.640 -0.005 0.000 0.200 5 D C 2.001 178.327 176.300 0.042 0.000 0.976 5 D CA 0.720 54.687 54.000 -0.056 0.000 0.831 5 D CB 0.096 40.848 40.800 -0.080 0.000 0.974 5 D HN 0.064 nan 8.370 nan 0.000 0.469 6 V N 1.572 121.657 119.914 0.284 0.000 2.295 6 V HA -0.241 3.876 4.120 -0.005 0.000 0.246 6 V C 2.796 179.035 176.094 0.242 0.000 1.049 6 V CA 2.576 65.118 62.300 0.404 0.000 1.024 6 V CB -1.012 30.997 31.823 0.310 0.000 0.648 6 V HN 0.329 nan 8.190 nan 0.000 0.447 7 E N 0.449 120.755 120.200 0.176 0.000 2.153 7 E HA -0.271 4.077 4.350 -0.005 0.000 0.194 7 E C 1.826 178.471 176.600 0.074 0.000 0.988 7 E CA 1.615 58.088 56.400 0.122 0.000 0.811 7 E CB -0.728 29.015 29.700 0.072 0.000 0.746 7 E HN 0.736 nan 8.360 nan 0.000 0.466 8 N N 0.065 118.787 118.700 0.037 0.000 2.270 8 N HA 0.051 4.788 4.740 -0.005 0.000 0.181 8 N C 2.140 177.657 175.510 0.013 0.000 1.016 8 N CA 1.332 54.381 53.050 -0.001 0.000 0.870 8 N CB -0.193 38.262 38.487 -0.054 0.000 0.979 8 N HN 0.509 nan 8.380 nan 0.000 0.431 9 A N 1.214 124.061 122.820 0.045 0.000 1.832 9 A HA -0.066 4.251 4.320 -0.005 0.000 0.214 9 A C 2.509 180.170 177.584 0.129 0.000 1.200 9 A CA 1.390 53.495 52.037 0.113 0.000 0.610 9 A CB -1.018 18.198 19.000 0.361 0.000 0.842 9 A HN 0.038 nan 8.150 nan 0.000 0.444 10 V N -0.014 119.992 119.914 0.154 0.000 2.250 10 V HA -0.298 3.819 4.120 -0.005 0.000 0.250 10 V C 2.733 178.882 176.094 0.092 0.000 1.060 10 V CA 2.616 64.992 62.300 0.127 0.000 1.030 10 V CB -1.101 30.805 31.823 0.138 0.000 0.643 10 V HN 0.737 nan 8.190 nan 0.000 0.445 11 E N -0.663 119.585 120.200 0.079 0.000 2.160 11 E HA -0.223 4.124 4.350 -0.005 0.000 0.195 11 E C 2.252 178.878 176.600 0.042 0.000 0.991 11 E CA 1.310 57.743 56.400 0.055 0.000 0.810 11 E CB -0.464 29.261 29.700 0.042 0.000 0.742 11 E HN 0.747 nan 8.360 nan 0.000 0.466 12 A N 0.395 123.240 122.820 0.042 0.000 1.898 12 A HA 0.197 4.514 4.320 -0.005 0.000 0.216 12 A C 2.580 180.187 177.584 0.039 0.000 1.181 12 A CA 1.817 53.873 52.037 0.031 0.000 0.620 12 A CB -0.944 18.071 19.000 0.025 0.000 0.819 12 A HN 0.622 nan 8.150 nan 0.000 0.442 13 A N -0.353 122.499 122.820 0.053 0.000 1.972 13 A HA 0.028 4.345 4.320 -0.005 0.000 0.219 13 A C 2.051 179.661 177.584 0.042 0.000 1.169 13 A CA 1.446 53.514 52.037 0.052 0.000 0.635 13 A CB -0.450 18.590 19.000 0.067 0.000 0.810 13 A HN 0.476 nan 8.150 nan 0.000 0.446 14 L N -0.929 120.319 121.223 0.043 0.000 2.354 14 L HA 0.069 4.406 4.340 -0.005 0.000 0.212 14 L C 0.322 177.207 176.870 0.026 0.000 1.091 14 L CA -0.055 54.806 54.840 0.034 0.000 0.828 14 L CB -0.375 41.707 42.059 0.039 0.000 0.973 14 L HN 0.199 nan 8.230 nan 0.000 0.461 15 D N 2.375 122.791 120.400 0.026 0.000 2.382 15 D HA 0.044 4.681 4.640 -0.005 0.000 0.259 15 D C -1.542 174.768 176.300 0.017 0.000 1.224 15 D CA -1.380 52.631 54.000 0.019 0.000 0.894 15 D CB 1.567 42.377 40.800 0.017 0.000 1.127 15 D HN 0.047 nan 8.370 nan 0.000 0.487 16 P HA 0.001 nan 4.420 nan 0.000 0.255 16 P C 0.485 177.791 177.300 0.010 0.000 1.248 16 P CA 0.158 63.265 63.100 0.012 0.000 0.807 16 P CB 0.257 31.963 31.700 0.010 0.000 1.150 17 S N -1.851 113.854 115.700 0.009 0.000 2.556 17 S HA 0.146 4.613 4.470 -0.005 0.000 0.216 17 S C 0.757 175.362 174.600 0.007 0.000 0.970 17 S CA -0.337 57.867 58.200 0.008 0.000 0.912 17 S CB -0.573 62.631 63.200 0.006 0.000 0.790 17 S HN -0.137 nan 8.310 nan 0.000 0.504 18 V N 2.451 122.370 119.914 0.009 0.000 2.607 18 V HA 0.599 4.716 4.120 -0.005 0.000 0.289 18 V C 1.301 177.400 176.094 0.010 0.000 1.053 18 V CA -0.483 61.822 62.300 0.009 0.000 0.996 18 V CB 0.887 32.717 31.823 0.012 0.000 0.995 18 V HN 0.471 nan 8.190 nan 0.000 0.476 19 G N 4.444 113.249 108.800 0.008 0.000 2.664 19 G HA2 0.214 4.171 3.960 -0.005 0.000 0.242 19 G HA3 0.214 4.171 3.960 -0.005 0.000 0.242 19 G C -1.030 173.877 174.900 0.011 0.000 1.225 19 G CA -0.492 44.613 45.100 0.009 0.000 0.849 19 G HN 0.629 nan 8.290 nan 0.000 0.581 20 P HA -0.063 nan 4.420 nan 0.000 0.221 20 P C 1.677 178.987 177.300 0.016 0.000 1.150 20 P CA 0.963 64.072 63.100 0.014 0.000 0.800 20 P CB 0.253 31.961 31.700 0.013 0.000 0.787 21 I N -0.907 119.672 120.570 0.014 0.000 2.339 21 I HA -0.115 4.052 4.170 -0.005 0.000 0.245 21 I C 2.656 178.782 176.117 0.016 0.000 1.096 21 I CA 0.712 62.022 61.300 0.015 0.000 1.408 21 I CB -0.671 37.336 38.000 0.012 0.000 1.092 21 I HN -0.221 nan 8.210 nan 0.000 0.423 22 I N 1.292 121.869 120.570 0.012 0.000 2.091 22 I HA -0.338 3.829 4.170 -0.005 0.000 0.239 22 I C 2.619 178.746 176.117 0.018 0.000 1.061 22 I CA 1.727 63.032 61.300 0.009 0.000 1.317 22 I CB -0.532 37.471 38.000 0.005 0.000 1.031 22 I HN 0.128 nan 8.210 nan 0.000 0.401 23 K N 0.281 120.694 120.400 0.021 0.000 2.160 23 K HA -0.296 4.021 4.320 -0.005 0.000 0.206 23 K C 2.215 178.839 176.600 0.040 0.000 1.047 23 K CA 1.566 57.872 56.287 0.030 0.000 0.930 23 K CB -0.070 32.446 32.500 0.027 0.000 0.720 23 K HN 0.138 nan 8.250 nan 0.000 0.450 24 Q N 0.404 120.225 119.800 0.035 0.000 2.020 24 Q HA -0.240 4.097 4.340 -0.005 0.000 0.202 24 Q C 2.363 178.396 176.000 0.055 0.000 0.982 24 Q CA 2.742 58.569 55.803 0.041 0.000 0.838 24 Q CB -0.691 28.066 28.738 0.032 0.000 0.899 24 Q HN 0.430 nan 8.270 nan 0.000 0.423 25 Q N -0.082 119.746 119.800 0.047 0.000 2.029 25 Q HA -0.224 4.113 4.340 -0.005 0.000 0.209 25 Q C 2.266 178.327 176.000 0.101 0.000 0.999 25 Q CA 2.888 58.725 55.803 0.057 0.000 0.857 25 Q CB -1.640 27.110 28.738 0.019 0.000 0.926 25 Q HN 0.651 nan 8.270 nan 0.000 0.415 26 A N -0.202 122.670 122.820 0.085 0.000 1.849 26 A HA -0.202 4.115 4.320 -0.005 0.000 0.217 26 A C 2.587 180.281 177.584 0.182 0.000 1.202 26 A CA 3.131 55.251 52.037 0.137 0.000 0.629 26 A CB -1.425 17.630 19.000 0.091 0.000 0.834 26 A HN 0.736 nan 8.150 nan 0.000 0.447 27 T N -0.484 114.139 114.554 0.115 0.000 2.653 27 T HA -0.226 4.121 4.350 -0.005 0.000 0.268 27 T C 1.610 176.369 174.700 0.098 0.000 1.035 27 T CA 2.180 64.336 62.100 0.093 0.000 1.154 27 T CB -0.740 68.165 68.868 0.063 0.000 0.862 27 T HN 0.513 nan 8.240 nan 0.000 0.441 28 D N -0.175 120.289 120.400 0.106 0.000 2.149 28 D HA -0.077 4.560 4.640 -0.005 0.000 0.198 28 D C 1.759 178.139 176.300 0.134 0.000 0.990 28 D CA 0.943 55.003 54.000 0.100 0.000 0.839 28 D CB -0.476 40.382 40.800 0.096 0.000 0.948 28 D HN 0.450 nan 8.370 nan 0.000 0.460 29 F N 1.906 121.873 119.950 0.028 0.000 2.026 29 F HA -0.158 4.366 4.527 -0.006 0.000 0.296 29 F C 2.348 178.170 175.800 0.036 0.000 1.133 29 F CA 1.080 59.098 58.000 0.031 0.000 1.188 29 F CB -0.619 38.399 39.000 0.031 0.000 0.968 29 F HN -0.166 nan 8.300 nan 0.000 0.476 30 I N 0.220 120.803 120.570 0.021 0.000 2.185 30 I HA -0.329 3.838 4.170 -0.005 0.000 0.246 30 I C 2.674 178.735 176.117 -0.093 0.000 1.088 30 I CA 1.593 62.852 61.300 -0.069 0.000 1.347 30 I CB -1.428 36.603 38.000 0.051 0.000 1.041 30 I HN 0.358 nan 8.210 nan 0.000 0.415 31 G N 0.513 109.291 108.800 -0.037 0.000 2.402 31 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.216 31 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.216 31 G C 1.803 176.669 174.900 -0.056 0.000 1.162 31 G CA 1.026 46.109 45.100 -0.029 0.000 0.777 31 G HN 0.519 nan 8.290 nan 0.000 0.539 32 S N 0.917 116.567 115.700 -0.082 0.000 2.370 32 S HA -0.068 4.399 4.470 -0.005 0.000 0.226 32 S C 2.334 176.867 174.600 -0.113 0.000 1.033 32 S CA 1.161 59.312 58.200 -0.082 0.000 1.011 32 S CB -0.578 62.570 63.200 -0.086 0.000 0.852 32 S HN 0.270 nan 8.310 nan 0.000 0.457 33 L N 0.705 121.798 121.223 -0.217 0.000 2.283 33 L HA -0.177 4.160 4.340 -0.005 0.000 0.217 33 L C 3.029 179.868 176.870 -0.051 0.000 1.104 33 L CA 1.592 56.327 54.840 -0.174 0.000 0.772 33 L CB -0.456 41.468 42.059 -0.225 0.000 0.899 33 L HN 0.409 nan 8.230 nan 0.000 0.439 34 R N -1.095 119.377 120.500 -0.045 0.000 2.112 34 R HA -0.046 4.291 4.340 -0.005 0.000 0.216 34 R C 2.608 178.908 176.300 -0.000 0.000 1.080 34 R CA 1.280 57.366 56.100 -0.024 0.000 0.996 34 R CB -0.090 30.189 30.300 -0.035 0.000 0.902 34 R HN 0.425 nan 8.270 nan 0.000 0.449 35 S N 0.829 116.532 115.700 0.006 0.000 2.371 35 S HA -0.041 4.426 4.470 -0.005 0.000 0.219 35 S C 1.184 175.822 174.600 0.064 0.000 1.040 35 S CA 0.196 58.413 58.200 0.028 0.000 0.958 35 S CB -0.406 62.805 63.200 0.019 0.000 0.860 35 S HN 0.254 nan 8.310 nan 0.000 0.487 36 S N 1.431 117.162 115.700 0.052 0.000 2.550 36 S HA 0.372 4.839 4.470 -0.005 0.000 0.285 36 S C 1.027 175.713 174.600 0.143 0.000 1.326 36 S CA 0.105 58.348 58.200 0.072 0.000 1.037 36 S CB 0.089 63.309 63.200 0.033 0.000 0.838 36 S HN 0.813 nan 8.310 nan 0.000 0.519 37 S N 0.913 116.702 115.700 0.149 0.000 2.593 37 S HA 0.192 4.659 4.470 -0.005 0.000 0.217 37 S C 1.541 176.252 174.600 0.186 0.000 0.966 37 S CA 0.582 58.921 58.200 0.233 0.000 0.914 37 S CB -0.341 62.966 63.200 0.178 0.000 0.776 37 S HN 0.802 nan 8.310 nan 0.000 0.523 38 T N -0.048 114.545 114.554 0.065 0.000 3.038 38 T HA 0.226 4.573 4.350 -0.005 0.000 0.244 38 T C 2.164 176.771 174.700 -0.156 0.000 1.016 38 T CA 0.545 62.606 62.100 -0.065 0.000 1.098 38 T CB -0.393 68.454 68.868 -0.035 0.000 0.954 38 T HN 0.408 nan 8.240 nan 0.000 0.469 39 G N 2.866 111.636 108.800 -0.050 0.000 2.719 39 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.219 39 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.219 39 G C 1.601 176.467 174.900 -0.057 0.000 1.234 39 G CA 1.387 46.450 45.100 -0.061 0.000 0.788 39 G HN 0.718 nan 8.290 nan 0.000 0.619 40 W N 1.685 123.005 121.300 0.033 0.000 2.303 40 W HA -0.156 4.501 4.660 -0.006 0.000 0.287 40 W C 1.836 178.430 176.519 0.125 0.000 1.213 40 W CA 1.444 58.822 57.345 0.055 0.000 1.203 40 W CB -0.521 28.983 29.460 0.073 0.000 1.136 40 W HN 0.277 nan 8.180 nan 0.000 0.547 41 K N 0.765 120.539 120.400 -1.042 0.000 2.097 41 K HA -0.111 4.206 4.320 -0.005 0.000 0.205 41 K C 2.143 178.542 176.600 -0.334 0.000 1.050 41 K CA 1.951 57.605 56.287 -1.055 0.000 0.938 41 K CB -0.385 31.542 32.500 -0.956 0.000 0.718 41 K HN 0.225 nan 8.250 nan 0.000 0.442 42 I N 1.193 121.643 120.570 -0.200 0.000 2.127 42 I HA -0.391 3.776 4.170 -0.005 0.000 0.241 42 I C 2.520 178.650 176.117 0.022 0.000 1.075 42 I CA 1.191 62.456 61.300 -0.058 0.000 1.334 42 I CB -0.729 37.266 38.000 -0.009 0.000 1.040 42 I HN 0.221 nan 8.210 nan 0.000 0.405 43 C N -0.205 119.138 119.300 0.071 0.000 2.413 43 C HA -0.250 4.207 4.460 -0.005 0.000 0.276 43 C C 2.737 177.893 174.990 0.276 0.000 1.248 43 C CA 1.238 60.342 59.018 0.144 0.000 1.742 43 C CB -1.726 26.098 27.740 0.139 0.000 2.017 43 C HN 0.556 nan 8.230 nan 0.000 0.481 44 H N 0.235 119.421 119.070 0.193 0.000 2.492 44 H HA -0.196 4.356 4.556 -0.005 0.000 0.296 44 H C 2.259 177.734 175.328 0.245 0.000 1.095 44 H CA 1.604 57.841 56.048 0.315 0.000 1.281 44 H CB 0.113 30.062 29.762 0.313 0.000 1.374 44 H HN 0.655 nan 8.280 nan 0.000 0.545 45 E N -0.168 120.120 120.200 0.146 0.000 2.065 45 E HA -0.104 4.243 4.350 -0.005 0.000 0.191 45 E C 2.393 178.884 176.600 -0.182 0.000 0.960 45 E CA 0.708 57.074 56.400 -0.057 0.000 0.824 45 E CB -0.210 29.429 29.700 -0.103 0.000 0.793 45 E HN 0.254 nan 8.360 nan 0.000 0.459 46 I N 1.657 122.112 120.570 -0.192 0.000 2.093 46 I HA -0.361 3.806 4.170 -0.005 0.000 0.239 46 I C 2.354 178.158 176.117 -0.522 0.000 1.026 46 I CA 2.361 63.362 61.300 -0.497 0.000 1.295 46 I CB -1.364 36.520 38.000 -0.194 0.000 1.007 46 I HN 0.558 nan 8.210 nan 0.000 0.401 47 F N 2.856 122.624 119.950 -0.303 0.000 2.106 47 F HA -0.304 4.222 4.527 -0.002 0.000 0.299 47 F C 2.476 177.982 175.800 -0.490 0.000 1.082 47 F CA 2.483 60.296 58.000 -0.313 0.000 1.244 47 F CB -1.653 37.226 39.000 -0.201 0.000 0.997 47 F HN 0.395 nan 8.300 nan 0.000 0.486 48 S N -0.937 113.854 115.700 -1.515 0.000 2.561 48 S HA 0.016 4.483 4.470 -0.005 0.000 0.225 48 S C 0.609 174.843 174.600 -0.611 0.000 0.977 48 S CA 0.103 57.514 58.200 -1.314 0.000 0.926 48 S CB -0.619 61.936 63.200 -1.075 0.000 0.769 48 S HN 0.542 nan 8.310 nan 0.000 0.533 49 E N 1.921 121.819 120.200 -0.502 0.000 1.932 49 E HA 0.205 4.552 4.350 -0.005 0.000 0.259 49 E C 0.479 177.074 176.600 -0.008 0.000 1.099 49 E CA -0.235 56.028 56.400 -0.228 0.000 0.970 49 E CB 1.023 30.541 29.700 -0.303 0.000 1.143 49 E HN 0.482 nan 8.360 nan 0.000 0.441 50 K N 1.561 121.981 120.400 0.034 0.000 1.973 50 K HA -0.131 4.186 4.320 -0.005 0.000 0.212 50 K C 1.559 178.244 176.600 0.142 0.000 1.047 50 K CA 1.745 58.100 56.287 0.114 0.000 0.937 50 K CB 0.142 32.724 32.500 0.136 0.000 0.721 50 K HN 0.172 nan 8.250 nan 0.000 0.440 51 T N 1.322 115.945 114.554 0.114 0.000 2.881 51 T HA -0.109 4.238 4.350 -0.005 0.000 0.270 51 T C 1.446 176.195 174.700 0.081 0.000 1.068 51 T CA 1.677 63.831 62.100 0.090 0.000 1.131 51 T CB -0.087 68.817 68.868 0.060 0.000 0.871 51 T HN 0.372 nan 8.240 nan 0.000 0.479 52 K N -0.347 120.126 120.400 0.121 0.000 2.262 52 K HA 0.126 4.443 4.320 -0.005 0.000 0.200 52 K C -0.164 176.336 176.600 -0.167 0.000 1.049 52 K CA 0.463 56.725 56.287 -0.043 0.000 0.979 52 K CB 0.136 32.548 32.500 -0.147 0.000 0.773 52 K HN 0.323 nan 8.250 nan 0.000 0.474 53 Y N 1.785 122.097 120.300 0.020 0.000 2.387 53 Y HA 0.332 4.878 4.550 -0.007 0.000 0.336 53 Y C 0.068 175.999 175.900 0.052 0.000 1.067 53 Y CA -1.327 56.793 58.100 0.033 0.000 1.114 53 Y CB 1.063 39.538 38.460 0.024 0.000 1.208 53 Y HN -0.279 nan 8.280 nan 0.000 0.458 54 K N 3.514 124.035 120.400 0.202 0.000 2.098 54 K HA 0.254 4.571 4.320 -0.005 0.000 0.261 54 K C -1.943 174.772 176.600 0.193 0.000 0.987 54 K CA -1.644 54.743 56.287 0.168 0.000 0.916 54 K CB 0.831 33.410 32.500 0.131 0.000 1.039 54 K HN 0.293 nan 8.250 nan 0.000 0.455 55 P HA -0.239 nan 4.420 nan 0.000 0.216 55 P C 0.812 178.282 177.300 0.283 0.000 1.157 55 P CA 1.472 64.706 63.100 0.224 0.000 0.880 55 P CB 0.189 32.102 31.700 0.355 0.000 0.791 56 S N -0.676 115.210 115.700 0.310 0.000 2.390 56 S HA -0.262 4.205 4.470 -0.005 0.000 0.234 56 S C 1.917 176.652 174.600 0.224 0.000 1.063 56 S CA 2.415 60.776 58.200 0.268 0.000 1.108 56 S CB -1.902 61.400 63.200 0.170 0.000 0.975 56 S HN 0.315 nan 8.310 nan 0.000 0.442 57 T N 1.915 116.585 114.554 0.193 0.000 2.639 57 T HA -0.026 4.321 4.350 -0.005 0.000 0.261 57 T C 1.924 176.715 174.700 0.151 0.000 1.053 57 T CA 1.092 63.300 62.100 0.180 0.000 1.158 57 T CB -0.313 68.687 68.868 0.221 0.000 0.863 57 T HN 0.296 nan 8.240 nan 0.000 0.413 58 R N 0.380 120.961 120.500 0.135 0.000 2.140 58 R HA -0.159 4.178 4.340 -0.005 0.000 0.250 58 R C 2.399 178.736 176.300 0.062 0.000 1.150 58 R CA 1.468 57.619 56.100 0.086 0.000 0.966 58 R CB -0.791 29.545 30.300 0.059 0.000 0.869 58 R HN 0.237 nan 8.270 nan 0.000 0.445 59 L N 1.280 122.531 121.223 0.048 0.000 1.971 59 L HA -0.203 4.134 4.340 -0.005 0.000 0.215 59 L C 1.969 178.881 176.870 0.069 0.000 1.072 59 L CA 1.824 56.684 54.840 0.033 0.000 0.758 59 L CB -0.552 41.592 42.059 0.141 0.000 0.889 59 L HN 0.179 nan 8.230 nan 0.000 0.433 60 I N -1.214 119.416 120.570 0.100 0.000 2.423 60 I HA -0.376 3.791 4.170 -0.005 0.000 0.254 60 I C 2.488 178.634 176.117 0.049 0.000 1.151 60 I CA 1.183 62.529 61.300 0.077 0.000 1.421 60 I CB -0.629 37.426 38.000 0.092 0.000 1.079 60 I HN 0.425 nan 8.210 nan 0.000 0.431 61 C N 0.445 119.779 119.300 0.056 0.000 2.476 61 C HA -0.084 4.373 4.460 -0.005 0.000 0.278 61 C C 2.725 177.703 174.990 -0.019 0.000 1.274 61 C CA 0.350 59.395 59.018 0.044 0.000 1.713 61 C CB -0.866 26.928 27.740 0.090 0.000 2.039 61 C HN 0.452 nan 8.230 nan 0.000 0.484 62 L N 0.571 121.769 121.223 -0.041 0.000 2.042 62 L HA -0.258 4.079 4.340 -0.005 0.000 0.210 62 L C 2.855 179.687 176.870 -0.063 0.000 1.076 62 L CA 1.654 56.429 54.840 -0.110 0.000 0.749 62 L CB -0.788 41.231 42.059 -0.067 0.000 0.893 62 L HN 0.515 nan 8.230 nan 0.000 0.432 63 Q N -1.022 118.771 119.800 -0.012 0.000 2.020 63 Q HA -0.246 4.091 4.340 -0.005 0.000 0.202 63 Q C 2.254 178.237 176.000 -0.028 0.000 0.982 63 Q CA 2.180 57.985 55.803 0.003 0.000 0.838 63 Q CB -0.539 28.211 28.738 0.020 0.000 0.899 63 Q HN 0.474 nan 8.270 nan 0.000 0.423 64 T N 0.977 115.514 114.554 -0.029 0.000 2.720 64 T HA -0.154 4.193 4.350 -0.005 0.000 0.268 64 T C 1.907 176.548 174.700 -0.098 0.000 1.037 64 T CA 1.035 63.108 62.100 -0.046 0.000 1.144 64 T CB -0.245 68.615 68.868 -0.013 0.000 0.864 64 T HN 0.189 nan 8.240 nan 0.000 0.444 65 L N 0.772 121.933 121.223 -0.103 0.000 2.042 65 L HA -0.118 4.219 4.340 -0.005 0.000 0.210 65 L C 3.095 179.796 176.870 -0.280 0.000 1.076 65 L CA 1.670 56.397 54.840 -0.189 0.000 0.749 65 L CB -0.564 41.366 42.059 -0.216 0.000 0.893 65 L HN 0.331 nan 8.230 nan 0.000 0.432 66 S N -0.687 114.899 115.700 -0.190 0.000 2.348 66 S HA -0.170 4.298 4.470 -0.005 0.000 0.221 66 S C 1.818 176.284 174.600 -0.224 0.000 1.033 66 S CA 1.046 59.138 58.200 -0.180 0.000 1.010 66 S CB -0.246 62.952 63.200 -0.003 0.000 0.891 66 S HN 0.386 nan 8.310 nan 0.000 0.442 67 E N 1.223 121.322 120.200 -0.169 0.000 2.171 67 E HA -0.124 4.223 4.350 -0.005 0.000 0.197 67 E C 1.978 178.364 176.600 -0.356 0.000 0.997 67 E CA 0.847 57.134 56.400 -0.188 0.000 0.810 67 E CB -0.134 29.492 29.700 -0.124 0.000 0.738 67 E HN 0.305 nan 8.360 nan 0.000 0.467 68 K N 0.333 120.418 120.400 -0.525 0.000 2.007 68 K HA -0.037 4.280 4.320 -0.005 0.000 0.206 68 K C 2.350 178.140 176.600 -1.350 0.000 1.047 68 K CA 0.538 56.199 56.287 -1.042 0.000 0.937 68 K CB -0.832 30.923 32.500 -1.241 0.000 0.718 68 K HN 0.029 nan 8.250 nan 0.000 0.438 69 V N 1.766 121.129 119.914 -0.919 0.000 2.324 69 V HA -0.247 3.870 4.120 -0.005 0.000 0.250 69 V C 2.640 178.528 176.094 -0.344 0.000 1.060 69 V CA 1.962 63.937 62.300 -0.540 0.000 1.042 69 V CB -0.520 31.110 31.823 -0.321 0.000 0.650 69 V HN 0.360 nan 8.190 nan 0.000 0.450 70 R N 0.066 120.372 120.500 -0.322 0.000 2.127 70 R HA -0.178 4.159 4.340 -0.005 0.000 0.238 70 R C 2.294 178.493 176.300 -0.168 0.000 1.134 70 R CA 1.844 57.822 56.100 -0.203 0.000 0.975 70 R CB -0.128 30.076 30.300 -0.160 0.000 0.865 70 R HN 0.519 nan 8.270 nan 0.000 0.447 71 E N -0.598 119.451 120.200 -0.251 0.000 2.474 71 E HA 0.008 4.355 4.350 -0.005 0.000 0.194 71 E C -0.331 176.270 176.600 0.001 0.000 1.041 71 E CA -0.143 56.168 56.400 -0.147 0.000 0.874 71 E CB -0.026 29.568 29.700 -0.176 0.000 0.914 71 E HN 0.307 nan 8.360 nan 0.000 0.498 72 W N 1.187 122.412 121.300 -0.125 0.000 2.086 72 W HA 0.497 5.153 4.660 -0.006 0.000 0.355 72 W C 0.879 177.336 176.519 -0.104 0.000 1.313 72 W CA -1.101 56.165 57.345 -0.130 0.000 1.358 72 W CB -0.133 29.216 29.460 -0.184 0.000 1.166 72 W HN 0.087 nan 8.180 nan 0.000 0.630 73 N N 0.660 119.442 118.700 0.138 0.000 2.443 73 N HA 0.135 4.872 4.740 -0.005 0.000 0.293 73 N C 0.687 176.191 175.510 -0.009 0.000 1.159 73 N CA -0.287 52.782 53.050 0.031 0.000 0.904 73 N CB 0.956 39.441 38.487 -0.004 0.000 1.214 73 N HN 0.222 nan 8.380 nan 0.000 0.513 74 N N 0.319 119.004 118.700 -0.024 0.000 2.270 74 N HA -0.146 4.591 4.740 -0.005 0.000 0.181 74 N C 1.231 176.705 175.510 -0.060 0.000 1.016 74 N CA 1.072 54.097 53.050 -0.042 0.000 0.870 74 N CB -0.043 38.419 38.487 -0.042 0.000 0.979 74 N HN 0.722 nan 8.380 nan 0.000 0.431 75 E N -0.036 120.129 120.200 -0.058 0.000 2.102 75 E HA 0.167 4.514 4.350 -0.005 0.000 0.190 75 E C 2.023 178.572 176.600 -0.085 0.000 0.971 75 E CA 0.696 57.058 56.400 -0.064 0.000 0.821 75 E CB -0.881 28.790 29.700 -0.049 0.000 0.777 75 E HN 0.242 nan 8.360 nan 0.000 0.460 76 S N 1.440 117.083 115.700 -0.095 0.000 2.387 76 S HA 0.038 4.505 4.470 -0.005 0.000 0.226 76 S C 1.347 175.817 174.600 -0.216 0.000 1.026 76 S CA 1.073 59.198 58.200 -0.126 0.000 0.972 76 S CB -0.256 62.880 63.200 -0.106 0.000 0.814 76 S HN 0.514 nan 8.310 nan 0.000 0.477 77 N N 0.778 119.315 118.700 -0.272 0.000 2.235 77 N HA 0.203 4.940 4.740 -0.005 0.000 0.231 77 N C 0.909 176.219 175.510 -0.333 0.000 1.177 77 N CA -0.094 52.668 53.050 -0.480 0.000 0.874 77 N CB 0.502 38.491 38.487 -0.831 0.000 1.097 77 N HN 0.163 nan 8.380 nan 0.000 0.518 78 L N 1.863 122.971 121.223 -0.192 0.000 1.990 78 L HA -0.195 4.143 4.340 -0.005 0.000 0.213 78 L C 2.775 179.567 176.870 -0.129 0.000 1.072 78 L CA 1.647 56.409 54.840 -0.129 0.000 0.755 78 L CB -0.989 41.016 42.059 -0.091 0.000 0.889 78 L HN 0.174 nan 8.230 nan 0.000 0.432 79 L N -1.436 119.710 121.223 -0.127 0.000 2.043 79 L HA -0.281 4.057 4.340 -0.005 0.000 0.212 79 L C 2.394 179.211 176.870 -0.089 0.000 1.075 79 L CA 2.718 57.506 54.840 -0.087 0.000 0.752 79 L CB -1.733 40.285 42.059 -0.068 0.000 0.891 79 L HN 0.550 nan 8.230 nan 0.000 0.432 80 E N -0.002 120.081 120.200 -0.194 0.000 2.051 80 E HA -0.171 4.176 4.350 -0.005 0.000 0.192 80 E C 2.270 178.785 176.600 -0.142 0.000 0.991 80 E CA 1.245 57.502 56.400 -0.238 0.000 0.799 80 E CB -0.280 28.976 29.700 -0.741 0.000 0.748 80 E HN 0.769 nan 8.360 nan 0.000 0.449 81 L N 0.985 122.125 121.223 -0.138 0.000 2.042 81 L HA -0.274 4.063 4.340 -0.005 0.000 0.210 81 L C 2.568 179.408 176.870 -0.049 0.000 1.076 81 L CA 1.449 56.285 54.840 -0.006 0.000 0.749 81 L CB -0.468 41.593 42.059 0.004 0.000 0.893 81 L HN 0.175 nan 8.230 nan 0.000 0.432 82 Q N -0.632 119.128 119.800 -0.067 0.000 2.119 82 Q HA -0.217 4.120 4.340 -0.005 0.000 0.201 82 Q C 2.628 178.610 176.000 -0.030 0.000 0.972 82 Q CA 1.993 57.745 55.803 -0.084 0.000 0.847 82 Q CB -0.320 28.374 28.738 -0.074 0.000 0.903 82 Q HN 0.642 nan 8.270 nan 0.000 0.433 83 M N 0.539 120.164 119.600 0.042 0.000 2.108 83 M HA -0.116 4.361 4.480 -0.005 0.000 0.261 83 M C 2.199 178.582 176.300 0.139 0.000 1.066 83 M CA 1.738 57.139 55.300 0.167 0.000 1.107 83 M CB -1.423 31.359 32.600 0.303 0.000 1.356 83 M HN 0.246 nan 8.290 nan 0.000 0.406 84 I N -0.947 119.608 120.570 -0.025 0.000 2.133 84 I HA -0.280 3.887 4.170 -0.005 0.000 0.238 84 I C 2.761 178.847 176.117 -0.051 0.000 1.074 84 I CA 1.921 63.108 61.300 -0.187 0.000 1.342 84 I CB -0.698 37.202 38.000 -0.167 0.000 1.053 84 I HN 0.588 nan 8.210 nan 0.000 0.404 85 R N 1.281 121.732 120.500 -0.082 0.000 2.133 85 R HA -0.267 4.070 4.340 -0.005 0.000 0.245 85 R C 1.857 178.159 176.300 0.002 0.000 1.137 85 R CA 2.562 58.573 56.100 -0.148 0.000 0.947 85 R CB -0.468 29.541 30.300 -0.485 0.000 0.865 85 R HN 0.377 nan 8.270 nan 0.000 0.437 86 D N -0.171 120.244 120.400 0.024 0.000 2.149 86 D HA -0.111 4.526 4.640 -0.005 0.000 0.198 86 D C 1.958 178.398 176.300 0.234 0.000 0.990 86 D CA 1.575 55.655 54.000 0.133 0.000 0.839 86 D CB -0.201 40.658 40.800 0.098 0.000 0.948 86 D HN 0.260 nan 8.370 nan 0.000 0.460 87 S N -0.108 115.762 115.700 0.282 0.000 2.406 87 S HA -0.050 4.417 4.470 -0.005 0.000 0.228 87 S C 2.288 177.220 174.600 0.553 0.000 1.020 87 S CA 0.240 58.685 58.200 0.408 0.000 0.965 87 S CB 0.115 63.685 63.200 0.617 0.000 0.798 87 S HN 0.083 nan 8.310 nan 0.000 0.488 88 V N 0.345 120.559 119.914 0.500 0.000 2.346 88 V HA -0.083 4.034 4.120 -0.005 0.000 0.244 88 V C 1.762 178.213 176.094 0.595 0.000 1.037 88 V CA 1.163 63.791 62.300 0.545 0.000 1.029 88 V CB -0.547 31.447 31.823 0.286 0.000 0.663 88 V HN 0.707 nan 8.190 nan 0.000 0.454 89 W N 1.099 122.562 121.300 0.270 0.000 2.392 89 W HA -0.247 4.415 4.660 0.002 0.000 0.279 89 W C 2.616 179.275 176.519 0.233 0.000 1.225 89 W CA 1.060 58.577 57.345 0.287 0.000 1.233 89 W CB 0.192 29.803 29.460 0.251 0.000 1.122 89 W HN 0.474 nan 8.180 nan 0.000 0.561 90 S N -0.933 114.965 115.700 0.330 0.000 2.395 90 S HA -0.275 4.192 4.470 -0.005 0.000 0.225 90 S C 1.624 176.343 174.600 0.199 0.000 1.027 90 S CA 0.886 59.155 58.200 0.114 0.000 0.965 90 S CB -1.296 61.971 63.200 0.112 0.000 0.812 90 S HN 0.407 nan 8.310 nan 0.000 0.482 91 Y N 2.023 122.435 120.300 0.186 0.000 2.509 91 Y HA 0.269 4.814 4.550 -0.007 0.000 0.293 91 Y C 1.604 177.652 175.900 0.246 0.000 1.133 91 Y CA 0.125 58.327 58.100 0.170 0.000 1.283 91 Y CB -0.356 38.249 38.460 0.241 0.000 1.001 91 Y HN 0.305 nan 8.280 nan 0.000 0.555 92 I N -0.704 120.009 120.570 0.239 0.000 2.585 92 I HA -0.174 3.993 4.170 -0.005 0.000 0.254 92 I C 2.044 178.329 176.117 0.280 0.000 1.129 92 I CA 0.633 62.126 61.300 0.321 0.000 1.455 92 I CB -0.204 38.166 38.000 0.618 0.000 1.111 92 I HN -0.052 nan 8.210 nan 0.000 0.433 93 K N 0.551 120.956 120.400 0.008 0.000 2.280 93 K HA -0.184 4.133 4.320 -0.005 0.000 0.202 93 K C 1.926 178.445 176.600 -0.136 0.000 1.047 93 K CA 0.807 56.955 56.287 -0.231 0.000 0.942 93 K CB -0.044 32.172 32.500 -0.474 0.000 0.739 93 K HN 0.146 nan 8.250 nan 0.000 0.457 94 E N 0.671 120.847 120.200 -0.040 0.000 2.033 94 E HA -0.228 4.119 4.350 -0.005 0.000 0.199 94 E C 1.479 178.036 176.600 -0.072 0.000 1.011 94 E CA 1.824 58.211 56.400 -0.022 0.000 0.815 94 E CB -0.286 29.448 29.700 0.057 0.000 0.755 94 E HN 0.252 nan 8.360 nan 0.000 0.451 95 L N -0.967 120.207 121.223 -0.081 0.000 4.406 95 L HA -0.194 4.144 4.340 -0.005 0.000 0.406 95 L C 1.491 178.193 176.870 -0.281 0.000 1.133 95 L CA 1.341 56.030 54.840 -0.251 0.000 0.974 95 L CB -2.765 39.154 42.059 -0.233 0.000 2.152 95 L HN 0.155 nan 8.230 nan 0.000 0.736 96 S N -1.095 114.508 115.700 -0.163 0.000 2.535 96 S HA 0.321 4.788 4.470 -0.005 0.000 0.214 96 S C 1.429 176.001 174.600 -0.045 0.000 0.980 96 S CA 0.887 59.046 58.200 -0.069 0.000 0.907 96 S CB -0.257 62.983 63.200 0.066 0.000 0.790 96 S HN 1.777 nan 8.310 nan 0.000 0.510 97 F N 0.769 120.628 119.950 -0.152 0.000 2.569 97 F HA 0.344 4.868 4.527 -0.006 0.000 0.295 97 F C 1.327 177.100 175.800 -0.046 0.000 1.115 97 F CA 0.245 58.192 58.000 -0.088 0.000 1.450 97 F CB -0.742 38.085 39.000 -0.288 0.000 1.107 97 F HN 0.009 nan 8.300 nan 0.000 0.563 98 L N 0.715 121.495 121.223 -0.739 0.000 2.201 98 L HA -0.094 4.243 4.340 -0.005 0.000 0.212 98 L C 1.308 178.099 176.870 -0.132 0.000 1.105 98 L CA 0.920 55.508 54.840 -0.420 0.000 0.775 98 L CB -0.702 41.053 42.059 -0.507 0.000 0.913 98 L HN 0.085 nan 8.230 nan 0.000 0.440 99 D N -0.166 120.168 120.400 -0.109 0.000 2.349 99 D HA 0.012 4.649 4.640 -0.005 0.000 0.224 99 D C 0.689 177.015 176.300 0.043 0.000 1.029 99 D CA 0.468 54.455 54.000 -0.023 0.000 0.879 99 D CB 0.200 40.986 40.800 -0.024 0.000 0.906 99 D HN 0.458 nan 8.370 nan 0.000 0.528 100 E N 0.452 120.700 120.200 0.080 0.000 2.284 100 E HA 0.340 4.687 4.350 -0.005 0.000 0.255 100 E C -2.316 174.391 176.600 0.179 0.000 1.052 100 E CA -2.031 54.453 56.400 0.141 0.000 0.904 100 E CB 0.505 30.309 29.700 0.172 0.000 1.217 100 E HN -0.154 nan 8.360 nan 0.000 0.438 101 P HA -0.139 nan 4.420 nan 0.000 0.266 101 P C -0.339 177.186 177.300 0.376 0.000 1.180 101 P CA 0.465 63.817 63.100 0.420 0.000 0.765 101 P CB 0.433 32.737 31.700 1.007 0.000 0.806 102 A N 2.809 125.839 122.820 0.350 0.000 2.121 102 A HA -0.169 4.148 4.320 -0.005 0.000 0.218 102 A C 1.811 179.583 177.584 0.313 0.000 1.154 102 A CA 1.176 53.376 52.037 0.272 0.000 0.679 102 A CB -1.522 17.594 19.000 0.194 0.000 0.795 102 A HN 0.787 nan 8.150 nan 0.000 0.458 103 Y N -2.059 118.309 120.300 0.113 0.000 2.497 103 Y HA 0.134 4.681 4.550 -0.005 0.000 0.292 103 Y C 1.458 177.441 175.900 0.137 0.000 1.137 103 Y CA 0.667 58.831 58.100 0.106 0.000 1.285 103 Y CB -0.469 38.041 38.460 0.083 0.000 0.991 103 Y HN 0.194 nan 8.280 nan 0.000 0.556 104 I N -0.072 120.342 120.570 -0.260 0.000 3.603 104 I HA -0.074 4.093 4.170 -0.005 0.000 0.297 104 I C 2.452 178.624 176.117 0.091 0.000 1.269 104 I CA 0.665 61.860 61.300 -0.174 0.000 1.361 104 I CB -0.007 37.912 38.000 -0.134 0.000 1.063 104 I HN 0.312 nan 8.210 nan 0.000 0.448 105 S N 1.375 117.193 115.700 0.197 0.000 2.341 105 S HA -0.090 4.377 4.470 -0.005 0.000 0.216 105 S C 1.940 176.713 174.600 0.290 0.000 1.034 105 S CA 1.012 59.403 58.200 0.319 0.000 0.964 105 S CB -0.175 63.253 63.200 0.380 0.000 0.882 105 S HN 0.358 nan 8.310 nan 0.000 0.469 106 N N 2.376 121.218 118.700 0.236 0.000 2.094 106 N HA -0.121 4.616 4.740 -0.005 0.000 0.191 106 N C 1.958 177.566 175.510 0.163 0.000 1.023 106 N CA 1.502 54.667 53.050 0.191 0.000 0.857 106 N CB -0.888 37.690 38.487 0.153 0.000 1.013 106 N HN 0.570 nan 8.380 nan 0.000 0.426 107 A N 0.992 123.886 122.820 0.124 0.000 1.902 107 A HA -0.080 4.237 4.320 -0.005 0.000 0.217 107 A C 2.594 180.248 177.584 0.117 0.000 1.181 107 A CA 1.397 53.492 52.037 0.096 0.000 0.623 107 A CB -0.690 18.329 19.000 0.031 0.000 0.818 107 A HN 0.133 nan 8.150 nan 0.000 0.443 108 V N -0.134 119.846 119.914 0.110 0.000 2.379 108 V HA -0.298 3.819 4.120 -0.005 0.000 0.245 108 V C 2.580 178.797 176.094 0.206 0.000 1.044 108 V CA 2.058 64.416 62.300 0.097 0.000 1.036 108 V CB -1.030 30.747 31.823 -0.077 0.000 0.664 108 V HN 0.628 nan 8.190 nan 0.000 0.453 109 Q N -0.370 119.611 119.800 0.302 0.000 2.096 109 Q HA -0.332 4.005 4.340 -0.005 0.000 0.208 109 Q C 2.278 178.356 176.000 0.131 0.000 0.993 109 Q CA 2.481 58.400 55.803 0.194 0.000 0.862 109 Q CB -0.408 28.403 28.738 0.122 0.000 0.915 109 Q HN 0.773 nan 8.270 nan 0.000 0.416 110 H N 0.277 119.373 119.070 0.044 0.000 2.353 110 H HA -0.125 4.428 4.556 -0.005 0.000 0.300 110 H C 1.804 177.133 175.328 0.002 0.000 1.090 110 H CA 1.461 57.514 56.048 0.009 0.000 1.327 110 H CB -0.126 29.639 29.762 0.005 0.000 1.383 110 H HN 0.171 nan 8.280 nan 0.000 0.508 111 L N -0.377 120.834 121.223 -0.021 0.000 2.005 111 L HA -0.051 4.286 4.340 -0.005 0.000 0.207 111 L C 2.312 179.163 176.870 -0.032 0.000 1.072 111 L CA 1.480 56.257 54.840 -0.105 0.000 0.744 111 L CB -1.060 40.953 42.059 -0.076 0.000 0.895 111 L HN 0.396 nan 8.230 nan 0.000 0.433 112 L N -0.742 120.529 121.223 0.080 0.000 2.021 112 L HA -0.268 4.069 4.340 -0.005 0.000 0.215 112 L C 2.379 179.305 176.870 0.094 0.000 1.074 112 L CA 2.578 57.530 54.840 0.187 0.000 0.760 112 L CB -1.078 41.129 42.059 0.248 0.000 0.889 112 L HN 0.380 nan 8.230 nan 0.000 0.433 113 T N -0.261 114.283 114.554 -0.016 0.000 2.652 113 T HA -0.216 4.131 4.350 -0.005 0.000 0.267 113 T C 1.930 176.592 174.700 -0.064 0.000 1.039 113 T CA 1.958 64.001 62.100 -0.095 0.000 1.153 113 T CB -0.365 68.441 68.868 -0.102 0.000 0.863 113 T HN 0.303 nan 8.240 nan 0.000 0.428 114 L N 0.365 121.496 121.223 -0.152 0.000 2.012 114 L HA -0.111 4.226 4.340 -0.005 0.000 0.210 114 L C 2.565 179.403 176.870 -0.054 0.000 1.073 114 L CA 1.266 56.011 54.840 -0.159 0.000 0.748 114 L CB -0.679 41.202 42.059 -0.297 0.000 0.891 114 L HN 0.279 nan 8.230 nan 0.000 0.431 115 L N -1.097 120.131 121.223 0.008 0.000 1.989 115 L HA -0.288 4.049 4.340 -0.005 0.000 0.211 115 L C 2.599 179.557 176.870 0.148 0.000 1.071 115 L CA 1.571 56.472 54.840 0.101 0.000 0.749 115 L CB -0.691 41.501 42.059 0.221 0.000 0.890 115 L HN 0.173 nan 8.230 nan 0.000 0.431 116 F N 0.842 120.746 119.950 -0.077 0.000 2.091 116 F HA -0.281 4.243 4.527 -0.006 0.000 0.299 116 F C 2.210 177.858 175.800 -0.253 0.000 1.103 116 F CA 1.639 59.401 58.000 -0.397 0.000 1.228 116 F CB -0.289 38.117 39.000 -0.990 0.000 0.984 116 F HN -0.109 nan 8.300 nan 0.000 0.477 117 L N -0.226 120.989 121.223 -0.014 0.000 2.447 117 L HA -0.228 4.109 4.340 -0.005 0.000 0.225 117 L C 1.947 178.724 176.870 -0.156 0.000 1.148 117 L CA 1.239 56.024 54.840 -0.093 0.000 0.808 117 L CB -0.559 41.489 42.059 -0.017 0.000 0.928 117 L HN 0.416 nan 8.230 nan 0.000 0.448 118 Q N -1.635 118.090 119.800 -0.125 0.000 2.280 118 Q HA 0.093 4.430 4.340 -0.005 0.000 0.244 118 Q C 1.191 177.142 176.000 -0.081 0.000 0.847 118 Q CA 0.330 56.081 55.803 -0.087 0.000 0.945 118 Q CB 0.971 29.686 28.738 -0.039 0.000 1.115 118 Q HN 0.442 nan 8.270 nan 0.000 0.513 119 L N -2.582 118.598 121.223 -0.071 0.000 3.174 119 L HA 0.226 4.563 4.340 -0.005 0.000 0.283 119 L C 1.641 178.497 176.870 -0.023 0.000 1.187 119 L CA -0.131 54.692 54.840 -0.029 0.000 1.018 119 L CB -1.690 40.381 42.059 0.021 0.000 1.433 119 L HN 0.285 nan 8.230 nan 0.000 0.593 120 Y N 3.707 123.814 120.300 -0.322 0.000 2.053 120 Y HA -0.149 4.397 4.550 -0.006 0.000 0.277 120 Y C 0.190 175.932 175.900 -0.263 0.000 1.159 120 Y CA 2.895 60.707 58.100 -0.480 0.000 1.125 120 Y CB -1.524 36.002 38.460 -1.555 0.000 0.969 120 Y HN 0.248 nan 8.280 nan 0.000 0.492 121 P HA -0.168 nan 4.420 nan 0.000 0.213 121 P C 1.399 178.472 177.300 -0.379 0.000 1.170 121 P CA 2.742 65.495 63.100 -0.577 0.000 0.902 121 P CB -0.017 31.572 31.700 -0.186 0.000 0.789 122 S N -0.748 114.826 115.700 -0.211 0.000 2.444 122 S HA 0.072 4.539 4.470 -0.005 0.000 0.223 122 S C 1.760 176.317 174.600 -0.072 0.000 1.054 122 S CA 0.352 58.480 58.200 -0.121 0.000 0.947 122 S CB -0.630 62.520 63.200 -0.083 0.000 0.850 122 S HN 0.176 nan 8.310 nan 0.000 0.527 123 N N -0.417 118.255 118.700 -0.046 0.000 2.446 123 N HA 0.000 4.737 4.740 -0.005 0.000 0.179 123 N C -0.298 175.268 175.510 0.093 0.000 1.054 123 N CA 0.560 53.610 53.050 0.001 0.000 0.905 123 N CB 0.186 38.662 38.487 -0.019 0.000 0.973 123 N HN 0.391 nan 8.380 nan 0.000 0.448 124 W N 1.963 123.193 121.300 -0.116 0.000 1.683 124 W HA 0.333 4.989 4.660 -0.006 0.000 0.295 124 W C 0.910 177.384 176.519 -0.074 0.000 0.865 124 W CA -1.455 55.868 57.345 -0.037 0.000 2.079 124 W CB -1.358 28.107 29.460 0.008 0.000 2.263 124 W HN -0.009 nan 8.180 nan 0.000 0.427 125 N N 0.586 119.377 118.700 0.151 0.000 2.289 125 N HA -0.209 4.528 4.740 -0.005 0.000 0.184 125 N C 0.947 176.549 175.510 0.154 0.000 1.016 125 N CA 2.101 55.166 53.050 0.025 0.000 0.872 125 N CB -0.294 38.209 38.487 0.028 0.000 0.973 125 N HN 0.292 nan 8.380 nan 0.000 0.433 126 D N -1.784 118.785 120.400 0.282 0.000 2.358 126 D HA 0.038 4.675 4.640 -0.005 0.000 0.224 126 D C 1.066 177.465 176.300 0.166 0.000 1.123 126 D CA -0.630 53.528 54.000 0.264 0.000 0.833 126 D CB -0.729 40.252 40.800 0.301 0.000 0.946 126 D HN 0.401 nan 8.370 nan 0.000 0.505 127 F N 1.519 121.327 119.950 -0.236 0.000 2.008 127 F HA -0.203 4.322 4.527 -0.004 0.000 0.297 127 F C 1.602 177.128 175.800 -0.456 0.000 1.156 127 F CA 1.803 59.307 58.000 -0.827 0.000 1.191 127 F CB -0.625 37.794 39.000 -0.969 0.000 0.955 127 F HN -0.111 nan 8.300 nan 0.000 0.497 128 F N 0.268 120.194 119.950 -0.039 0.000 2.134 128 F HA -0.109 4.415 4.527 -0.005 0.000 0.299 128 F C 2.611 178.306 175.800 -0.175 0.000 1.097 128 F CA 1.064 58.989 58.000 -0.123 0.000 1.264 128 F CB -1.296 37.800 39.000 0.160 0.000 1.001 128 F HN 0.122 nan 8.300 nan 0.000 0.479 129 A N 0.136 123.049 122.820 0.155 0.000 1.940 129 A HA -0.242 4.075 4.320 -0.005 0.000 0.219 129 A C 2.322 179.918 177.584 0.020 0.000 1.176 129 A CA 2.271 54.350 52.037 0.069 0.000 0.631 129 A CB -1.138 17.938 19.000 0.125 0.000 0.814 129 A HN 0.439 nan 8.150 nan 0.000 0.446 130 S N -0.507 115.227 115.700 0.056 0.000 2.395 130 S HA 0.032 4.499 4.470 -0.005 0.000 0.225 130 S C 1.887 176.597 174.600 0.183 0.000 1.027 130 S CA 1.087 59.416 58.200 0.215 0.000 0.965 130 S CB -0.597 62.903 63.200 0.499 0.000 0.812 130 S HN 0.420 nan 8.310 nan 0.000 0.482 131 L N 1.010 122.152 121.223 -0.135 0.000 2.093 131 L HA -0.077 4.260 4.340 -0.005 0.000 0.208 131 L C 3.006 179.726 176.870 -0.250 0.000 1.085 131 L CA 1.398 56.151 54.840 -0.145 0.000 0.755 131 L CB -0.451 41.329 42.059 -0.465 0.000 0.904 131 L HN 0.430 nan 8.230 nan 0.000 0.435 132 Q N -0.869 118.621 119.800 -0.517 0.000 2.245 132 Q HA -0.066 4.271 4.340 -0.005 0.000 0.201 132 Q C 2.246 178.006 176.000 -0.399 0.000 0.955 132 Q CA 1.057 56.347 55.803 -0.856 0.000 0.870 132 Q CB -0.196 27.836 28.738 -1.176 0.000 0.945 132 Q HN 0.573 nan 8.270 nan 0.000 0.461 133 G N 0.442 109.142 108.800 -0.168 0.000 2.408 133 G HA2 -0.172 3.785 3.960 -0.005 0.000 0.217 133 G HA3 -0.172 3.785 3.960 -0.005 0.000 0.217 133 G C 1.501 176.398 174.900 -0.005 0.000 1.150 133 G CA 0.601 45.675 45.100 -0.044 0.000 0.776 133 G HN 0.174 nan 8.290 nan 0.000 0.542 134 V N 1.301 121.233 119.914 0.030 0.000 2.358 134 V HA -0.124 3.993 4.120 -0.005 0.000 0.246 134 V C 2.764 178.843 176.094 -0.025 0.000 1.047 134 V CA 1.295 63.581 62.300 -0.023 0.000 1.035 134 V CB -0.404 31.404 31.823 -0.025 0.000 0.658 134 V HN 0.375 nan 8.190 nan 0.000 0.452 135 I N 0.794 121.442 120.570 0.129 0.000 2.163 135 I HA -0.265 3.902 4.170 -0.005 0.000 0.243 135 I C 2.723 178.965 176.117 0.208 0.000 1.085 135 I CA 1.697 63.166 61.300 0.283 0.000 1.347 135 I CB -0.708 37.593 38.000 0.501 0.000 1.044 135 I HN 0.311 nan 8.210 nan 0.000 0.408 136 A N 0.617 123.547 122.820 0.183 0.000 1.978 136 A HA -0.132 4.185 4.320 -0.005 0.000 0.220 136 A C 2.458 180.087 177.584 0.075 0.000 1.170 136 A CA 1.977 54.102 52.037 0.148 0.000 0.636 136 A CB -0.589 18.494 19.000 0.138 0.000 0.810 136 A HN 0.484 nan 8.150 nan 0.000 0.448 137 A N -0.198 122.644 122.820 0.037 0.000 1.911 137 A HA 0.075 4.392 4.320 -0.005 0.000 0.212 137 A C 2.492 180.068 177.584 -0.013 0.000 1.189 137 A CA 1.731 53.770 52.037 0.002 0.000 0.639 137 A CB -0.831 18.155 19.000 -0.023 0.000 0.839 137 A HN 0.903 nan 8.150 nan 0.000 0.449 138 S N -0.934 114.744 115.700 -0.037 0.000 2.368 138 S HA -0.070 4.397 4.470 -0.005 0.000 0.224 138 S C 1.056 175.660 174.600 0.007 0.000 1.029 138 S CA 1.369 59.536 58.200 -0.056 0.000 0.988 138 S CB -0.542 62.572 63.200 -0.145 0.000 0.838 138 S HN 1.035 nan 8.310 nan 0.000 0.462 139 S N -0.497 115.240 115.700 0.062 0.000 3.586 139 S HA -0.109 4.358 4.470 -0.005 0.000 0.309 139 S C 0.123 174.787 174.600 0.108 0.000 1.195 139 S CA 0.880 59.137 58.200 0.094 0.000 0.895 139 S CB -2.455 60.780 63.200 0.057 0.000 0.983 139 S HN 1.392 nan 8.310 nan 0.000 0.563 140 Q N 0.440 120.314 119.800 0.123 0.000 2.340 140 Q HA 0.734 5.071 4.340 -0.005 0.000 0.259 140 Q C 1.049 177.164 176.000 0.191 0.000 0.964 140 Q CA 0.058 55.931 55.803 0.117 0.000 0.900 140 Q CB 0.833 29.615 28.738 0.073 0.000 1.228 140 Q HN 0.860 nan 8.270 nan 0.000 0.449 141 S N 0.725 116.503 115.700 0.129 0.000 2.382 141 S HA -0.222 4.245 4.470 -0.005 0.000 0.228 141 S C 1.306 175.958 174.600 0.085 0.000 1.027 141 S CA 1.504 59.751 58.200 0.078 0.000 0.991 141 S CB -0.108 63.035 63.200 -0.095 0.000 0.823 141 S HN 0.840 nan 8.310 nan 0.000 0.469 142 E N 0.165 120.414 120.200 0.081 0.000 2.219 142 E HA -0.133 4.214 4.350 -0.005 0.000 0.198 142 E C 1.612 178.318 176.600 0.176 0.000 0.998 142 E CA 1.305 57.755 56.400 0.084 0.000 0.818 142 E CB -0.283 29.441 29.700 0.039 0.000 0.741 142 E HN 0.683 nan 8.360 nan 0.000 0.477 143 F N 0.897 120.914 119.950 0.112 0.000 2.270 143 F HA -0.070 4.457 4.527 -0.001 0.000 0.295 143 F C 2.349 178.354 175.800 0.342 0.000 1.087 143 F CA 0.857 58.996 58.000 0.232 0.000 1.365 143 F CB 0.047 39.147 39.000 0.166 0.000 1.056 143 F HN -0.165 nan 8.300 nan 0.000 0.506 144 S N 0.789 116.708 115.700 0.365 0.000 2.359 144 S HA -0.243 4.224 4.470 -0.005 0.000 0.224 144 S C 1.591 176.311 174.600 0.200 0.000 1.035 144 S CA 1.866 60.277 58.200 0.353 0.000 1.018 144 S CB -0.627 62.796 63.200 0.372 0.000 0.876 144 S HN 0.457 nan 8.310 nan 0.000 0.448 145 N N 0.891 119.655 118.700 0.106 0.000 2.188 145 N HA 0.000 4.737 4.740 -0.005 0.000 0.184 145 N C 1.374 176.897 175.510 0.021 0.000 1.018 145 N CA 0.810 53.882 53.050 0.037 0.000 0.858 145 N CB -0.423 38.077 38.487 0.021 0.000 0.989 145 N HN 0.402 nan 8.380 nan 0.000 0.426 146 F N 0.795 120.693 119.950 -0.088 0.000 2.075 146 F HA -0.222 4.303 4.527 -0.003 0.000 0.297 146 F C 2.284 177.987 175.800 -0.161 0.000 1.113 146 F CA 1.159 59.085 58.000 -0.124 0.000 1.218 146 F CB -0.894 37.982 39.000 -0.207 0.000 0.984 146 F HN 0.081 nan 8.300 nan 0.000 0.472 147 Y N 0.884 120.902 120.300 -0.470 0.000 2.193 147 Y HA -0.250 4.297 4.550 -0.004 0.000 0.285 147 Y C 1.944 177.670 175.900 -0.290 0.000 1.166 147 Y CA 1.995 59.839 58.100 -0.426 0.000 1.181 147 Y CB -0.747 37.615 38.460 -0.162 0.000 0.976 147 Y HN 0.215 nan 8.280 nan 0.000 0.520 148 L N -0.176 120.812 121.223 -0.392 0.000 2.044 148 L HA -0.166 4.171 4.340 -0.005 0.000 0.205 148 L C 2.364 179.029 176.870 -0.343 0.000 1.075 148 L CA 1.446 56.044 54.840 -0.404 0.000 0.747 148 L CB -0.459 41.497 42.059 -0.172 0.000 0.903 148 L HN 0.015 nan 8.230 nan 0.000 0.435 149 K N -0.442 119.795 120.400 -0.271 0.000 2.360 149 K HA -0.091 4.226 4.320 -0.005 0.000 0.201 149 K C 1.875 178.324 176.600 -0.252 0.000 1.046 149 K CA 0.707 56.875 56.287 -0.197 0.000 0.945 149 K CB 0.005 32.432 32.500 -0.122 0.000 0.750 149 K HN 0.167 nan 8.250 nan 0.000 0.464 150 V N 1.204 120.866 119.914 -0.421 0.000 2.379 150 V HA -0.145 3.972 4.120 -0.005 0.000 0.243 150 V C 2.022 177.971 176.094 -0.241 0.000 1.035 150 V CA 1.167 63.236 62.300 -0.385 0.000 1.035 150 V CB -0.269 31.234 31.823 -0.534 0.000 0.673 150 V HN 0.251 nan 8.190 nan 0.000 0.457 151 L N -0.600 120.422 121.223 -0.335 0.000 2.353 151 L HA -0.163 4.174 4.340 -0.005 0.000 0.220 151 L C 2.239 179.204 176.870 0.159 0.000 1.133 151 L CA 0.899 55.653 54.840 -0.143 0.000 0.798 151 L CB -0.308 41.365 42.059 -0.643 0.000 0.922 151 L HN 0.321 nan 8.230 nan 0.000 0.445 152 L N -1.706 119.520 121.223 0.004 0.000 2.249 152 L HA -0.007 4.330 4.340 -0.005 0.000 0.207 152 L C 2.497 179.434 176.870 0.112 0.000 1.090 152 L CA 1.284 56.190 54.840 0.111 0.000 0.802 152 L CB -0.161 41.898 42.059 -0.002 0.000 0.947 152 L HN 0.026 nan 8.230 nan 0.000 0.453 153 S N -0.583 115.132 115.700 0.025 0.000 2.357 153 S HA -0.042 4.425 4.470 -0.005 0.000 0.221 153 S C 1.977 176.579 174.600 0.002 0.000 1.031 153 S CA 1.075 59.283 58.200 0.012 0.000 0.982 153 S CB -0.161 63.027 63.200 -0.020 0.000 0.853 153 S HN 0.299 nan 8.310 nan 0.000 0.458 154 I N 1.527 122.079 120.570 -0.030 0.000 2.127 154 I HA -0.204 3.963 4.170 -0.005 0.000 0.241 154 I C 2.690 178.766 176.117 -0.070 0.000 1.075 154 I CA 1.392 62.626 61.300 -0.109 0.000 1.334 154 I CB -0.854 37.019 38.000 -0.211 0.000 1.040 154 I HN 0.390 nan 8.210 nan 0.000 0.405 155 G N -0.157 108.727 108.800 0.141 0.000 2.450 155 G HA2 -0.326 3.631 3.960 -0.005 0.000 0.220 155 G HA3 -0.326 3.631 3.960 -0.005 0.000 0.220 155 G C 1.262 176.202 174.900 0.068 0.000 1.130 155 G CA 1.186 46.363 45.100 0.129 0.000 0.760 155 G HN 0.355 nan 8.290 nan 0.000 0.557 156 D N 0.312 120.758 120.400 0.077 0.000 2.117 156 D HA -0.073 4.564 4.640 -0.005 0.000 0.198 156 D C 2.302 178.586 176.300 -0.026 0.000 0.982 156 D CA 0.799 54.825 54.000 0.043 0.000 0.828 156 D CB -0.016 40.814 40.800 0.049 0.000 0.967 156 D HN 0.180 nan 8.370 nan 0.000 0.464 157 E N -0.183 119.981 120.200 -0.061 0.000 2.347 157 E HA -0.062 4.285 4.350 -0.005 0.000 0.196 157 E C 2.075 178.578 176.600 -0.161 0.000 1.008 157 E CA 0.065 56.413 56.400 -0.087 0.000 0.852 157 E CB -0.086 29.570 29.700 -0.073 0.000 0.783 157 E HN 0.340 nan 8.360 nan 0.000 0.505 158 I N -0.596 119.812 120.570 -0.270 0.000 2.628 158 I HA 0.303 4.470 4.170 -0.005 0.000 0.255 158 I C 0.760 176.627 176.117 -0.416 0.000 1.119 158 I CA 0.831 61.863 61.300 -0.448 0.000 1.448 158 I CB 0.237 37.733 38.000 -0.838 0.000 1.133 158 I HN 0.105 nan 8.210 nan 0.000 0.438 159 A N -0.713 121.926 122.820 -0.301 0.000 2.479 159 A HA 0.826 5.144 4.320 -0.005 0.000 0.296 159 A C -0.454 177.122 177.584 -0.014 0.000 1.121 159 A CA 0.395 52.353 52.037 -0.131 0.000 0.743 159 A CB 1.019 20.007 19.000 -0.020 0.000 1.323 159 A HN 0.951 nan 8.150 nan 0.000 0.415 160 D N -1.551 118.853 120.400 0.007 0.000 2.807 160 D HA 0.559 5.196 4.640 -0.005 0.000 0.279 160 D C -0.183 176.128 176.300 0.019 0.000 1.247 160 D CA 0.373 54.386 54.000 0.022 0.000 0.749 160 D CB 0.803 41.606 40.800 0.004 0.000 1.264 160 D HN 1.385 nan 8.370 nan 0.000 0.421 161 S N -0.812 114.901 115.700 0.022 0.000 2.730 161 S HA 0.323 4.790 4.470 -0.005 0.000 0.244 161 S C 0.347 174.955 174.600 0.012 0.000 1.022 161 S CA -0.053 58.158 58.200 0.018 0.000 1.014 161 S CB -0.502 62.713 63.200 0.025 0.000 0.963 161 S HN 0.847 nan 8.310 nan 0.000 0.540 162 L N 1.525 122.753 121.223 0.009 0.000 2.482 162 L HA 0.387 4.724 4.340 -0.005 0.000 0.273 162 L C 1.487 178.359 176.870 0.002 0.000 1.228 162 L CA 0.991 55.834 54.840 0.006 0.000 0.827 162 L CB 0.243 42.304 42.059 0.004 0.000 1.099 162 L HN 0.132 nan 8.230 nan 0.000 0.494 163 V N 4.064 123.979 119.914 0.002 0.000 2.871 163 V HA 0.065 4.182 4.120 -0.005 0.000 0.256 163 V C 1.318 177.411 176.094 -0.003 0.000 1.082 163 V CA 1.868 64.168 62.300 0.001 0.000 1.105 163 V CB -1.234 30.590 31.823 0.002 0.000 0.713 163 V HN 0.780 nan 8.190 nan 0.000 0.473 164 L N 2.404 123.625 121.223 -0.003 0.000 2.376 164 L HA 0.572 4.909 4.340 -0.005 0.000 0.250 164 L C 0.680 177.544 176.870 -0.011 0.000 1.335 164 L CA 0.124 54.961 54.840 -0.006 0.000 1.214 164 L CB -2.169 39.887 42.059 -0.006 0.000 1.395 164 L HN 0.791 nan 8.230 nan 0.000 0.424 165 K N -0.253 120.140 120.400 -0.011 0.000 2.177 165 K HA 0.925 5.242 4.320 -0.005 0.000 0.238 165 K C -0.472 176.117 176.600 -0.018 0.000 1.015 165 K CA -0.420 55.858 56.287 -0.017 0.000 0.922 165 K CB 1.316 33.807 32.500 -0.015 0.000 1.127 165 K HN 0.291 nan 8.250 nan 0.000 0.469 166 T N -0.679 113.861 114.554 -0.022 0.000 3.097 166 T HA 0.217 4.564 4.350 -0.005 0.000 0.332 166 T C 0.274 174.959 174.700 -0.025 0.000 1.269 166 T CA -0.101 61.986 62.100 -0.022 0.000 1.076 166 T CB 1.485 70.339 68.868 -0.024 0.000 1.209 166 T HN 0.708 nan 8.240 nan 0.000 0.474 167 D N 1.318 121.704 120.400 -0.022 0.000 2.218 167 D HA -0.068 4.569 4.640 -0.005 0.000 0.204 167 D C 1.944 178.227 176.300 -0.029 0.000 0.976 167 D CA 1.594 55.580 54.000 -0.023 0.000 0.853 167 D CB -0.217 40.572 40.800 -0.019 0.000 0.939 167 D HN 0.399 nan 8.370 nan 0.000 0.481 168 V N 0.301 120.197 119.914 -0.029 0.000 2.346 168 V HA -0.158 3.959 4.120 -0.005 0.000 0.244 168 V C 2.720 178.788 176.094 -0.043 0.000 1.037 168 V CA 1.947 64.227 62.300 -0.034 0.000 1.029 168 V CB -0.233 31.572 31.823 -0.030 0.000 0.663 168 V HN 0.527 nan 8.190 nan 0.000 0.454 169 Q N 0.699 120.473 119.800 -0.044 0.000 2.084 169 Q HA -0.168 4.169 4.340 -0.005 0.000 0.202 169 Q C 1.937 177.896 176.000 -0.068 0.000 0.978 169 Q CA 2.137 57.907 55.803 -0.055 0.000 0.844 169 Q CB -0.486 28.222 28.738 -0.049 0.000 0.898 169 Q HN 0.636 nan 8.270 nan 0.000 0.426 170 I N 0.084 120.619 120.570 -0.058 0.000 2.179 170 I HA -0.278 3.889 4.170 -0.005 0.000 0.242 170 I C 2.592 178.668 176.117 -0.069 0.000 1.088 170 I CA 1.420 62.682 61.300 -0.064 0.000 1.357 170 I CB -0.432 37.541 38.000 -0.046 0.000 1.051 170 I HN 0.370 nan 8.210 nan 0.000 0.409 171 Q N 0.940 120.706 119.800 -0.056 0.000 2.172 171 Q HA -0.213 4.124 4.340 -0.005 0.000 0.200 171 Q C 2.265 178.226 176.000 -0.065 0.000 0.964 171 Q CA 1.445 57.216 55.803 -0.054 0.000 0.855 171 Q CB 0.007 28.720 28.738 -0.041 0.000 0.918 171 Q HN 0.578 nan 8.270 nan 0.000 0.444 172 K N 0.232 120.591 120.400 -0.069 0.000 2.031 172 K HA -0.135 4.182 4.320 -0.005 0.000 0.205 172 K C 1.175 177.713 176.600 -0.104 0.000 1.049 172 K CA 1.652 57.893 56.287 -0.077 0.000 0.939 172 K CB -0.057 32.401 32.500 -0.070 0.000 0.717 172 K HN -0.091 nan 8.250 nan 0.000 0.438 173 D N 0.989 121.316 120.400 -0.122 0.000 2.144 173 D HA -0.112 4.525 4.640 -0.005 0.000 0.199 173 D C 1.676 177.853 176.300 -0.204 0.000 0.984 173 D CA 0.844 54.736 54.000 -0.180 0.000 0.834 173 D CB -0.307 40.380 40.800 -0.189 0.000 0.955 173 D HN 0.264 nan 8.370 nan 0.000 0.465 174 N N 0.155 118.766 118.700 -0.148 0.000 2.188 174 N HA -0.050 4.687 4.740 -0.005 0.000 0.184 174 N C 1.939 177.384 175.510 -0.108 0.000 1.018 174 N CA 0.358 53.331 53.050 -0.128 0.000 0.858 174 N CB -0.208 38.230 38.487 -0.081 0.000 0.989 174 N HN 0.255 nan 8.380 nan 0.000 0.426 175 L N 0.041 121.210 121.223 -0.090 0.000 2.093 175 L HA -0.084 4.253 4.340 -0.005 0.000 0.208 175 L C 2.099 178.936 176.870 -0.056 0.000 1.085 175 L CA 0.613 55.416 54.840 -0.062 0.000 0.755 175 L CB -0.397 41.629 42.059 -0.055 0.000 0.904 175 L HN -0.029 nan 8.230 nan 0.000 0.435 176 V N 0.222 120.080 119.914 -0.093 0.000 2.343 176 V HA -0.274 3.843 4.120 -0.005 0.000 0.247 176 V C 2.437 178.474 176.094 -0.095 0.000 1.051 176 V CA 1.822 64.078 62.300 -0.073 0.000 1.036 176 V CB -0.665 31.079 31.823 -0.131 0.000 0.654 176 V HN 0.476 nan 8.190 nan 0.000 0.451 177 K N 0.054 120.308 120.400 -0.242 0.000 2.001 177 K HA -0.164 4.153 4.320 -0.005 0.000 0.208 177 K C 1.948 178.516 176.600 -0.052 0.000 1.048 177 K CA 1.649 57.759 56.287 -0.295 0.000 0.932 177 K CB -0.469 31.768 32.500 -0.439 0.000 0.715 177 K HN 0.384 nan 8.250 nan 0.000 0.437 178 D N 1.145 121.524 120.400 -0.035 0.000 2.158 178 D HA -0.164 4.473 4.640 -0.005 0.000 0.197 178 D C 1.940 178.275 176.300 0.057 0.000 0.995 178 D CA 1.511 55.520 54.000 0.016 0.000 0.846 178 D CB -0.117 40.682 40.800 -0.001 0.000 0.941 178 D HN 0.284 nan 8.370 nan 0.000 0.456 179 A N 0.717 123.581 122.820 0.075 0.000 1.930 179 A HA -0.092 4.225 4.320 -0.005 0.000 0.217 179 A C 2.360 180.104 177.584 0.266 0.000 1.175 179 A CA 0.647 52.773 52.037 0.147 0.000 0.627 179 A CB -0.471 18.634 19.000 0.176 0.000 0.815 179 A HN 0.181 nan 8.150 nan 0.000 0.443 180 I N -1.085 119.647 120.570 0.270 0.000 2.353 180 I HA -0.201 3.966 4.170 -0.005 0.000 0.248 180 I C 2.717 178.961 176.117 0.212 0.000 1.119 180 I CA 0.901 62.383 61.300 0.303 0.000 1.417 180 I CB -0.435 37.686 38.000 0.201 0.000 1.078 180 I HN 0.326 nan 8.210 nan 0.000 0.421 181 R N 0.989 121.588 120.500 0.166 0.000 2.073 181 R HA -0.145 4.192 4.340 -0.005 0.000 0.234 181 R C 2.403 178.770 176.300 0.112 0.000 1.134 181 R CA 1.753 57.935 56.100 0.136 0.000 0.952 181 R CB -0.417 29.951 30.300 0.113 0.000 0.850 181 R HN 0.337 nan 8.270 nan 0.000 0.433 182 A N 1.080 123.964 122.820 0.106 0.000 1.970 182 A HA -0.072 4.245 4.320 -0.005 0.000 0.216 182 A C 1.584 179.226 177.584 0.097 0.000 1.170 182 A CA 1.055 53.143 52.037 0.085 0.000 0.645 182 A CB -0.096 18.943 19.000 0.064 0.000 0.816 182 A HN 0.270 nan 8.150 nan 0.000 0.447 183 N N -0.439 118.344 118.700 0.138 0.000 2.511 183 N HA -0.001 4.736 4.740 -0.005 0.000 0.190 183 N C 0.445 176.068 175.510 0.189 0.000 1.037 183 N CA 1.214 54.355 53.050 0.152 0.000 0.895 183 N CB -0.026 38.548 38.487 0.145 0.000 1.149 183 N HN 0.443 nan 8.380 nan 0.000 0.437 184 D N -0.083 120.466 120.400 0.247 0.000 2.479 184 D HA 0.076 4.713 4.640 -0.005 0.000 0.221 184 D C 1.646 177.979 176.300 0.055 0.000 1.104 184 D CA -0.075 54.039 54.000 0.191 0.000 0.849 184 D CB 0.499 41.508 40.800 0.348 0.000 1.072 184 D HN -0.049 nan 8.370 nan 0.000 0.502 185 M N 1.678 121.324 119.600 0.076 0.000 2.103 185 M HA -0.222 4.255 4.480 -0.005 0.000 0.255 185 M C 2.120 178.445 176.300 0.043 0.000 1.074 185 M CA 1.514 56.854 55.300 0.066 0.000 1.090 185 M CB -0.663 32.008 32.600 0.119 0.000 1.325 185 M HN -0.097 nan 8.290 nan 0.000 0.403 186 S N -0.812 114.920 115.700 0.053 0.000 2.400 186 S HA -0.192 4.275 4.470 -0.005 0.000 0.232 186 S C 1.882 176.512 174.600 0.050 0.000 1.025 186 S CA 1.874 60.101 58.200 0.045 0.000 0.993 186 S CB -0.617 62.611 63.200 0.046 0.000 0.808 186 S HN 0.730 nan 8.310 nan 0.000 0.478 187 D N 0.361 120.795 120.400 0.056 0.000 2.216 187 D HA 0.041 4.678 4.640 -0.005 0.000 0.208 187 D C 1.961 178.321 176.300 0.100 0.000 0.960 187 D CA 0.598 54.645 54.000 0.079 0.000 0.861 187 D CB -0.176 40.668 40.800 0.073 0.000 0.985 187 D HN 0.483 nan 8.370 nan 0.000 0.493 188 I N 0.603 121.191 120.570 0.029 0.000 2.091 188 I HA -0.310 3.857 4.170 -0.005 0.000 0.239 188 I C 2.616 178.775 176.117 0.069 0.000 1.061 188 I CA 0.915 62.223 61.300 0.014 0.000 1.317 188 I CB -0.481 37.409 38.000 -0.183 0.000 1.031 188 I HN -0.091 nan 8.210 nan 0.000 0.401 189 V N 0.116 120.030 119.914 -0.002 0.000 2.380 189 V HA -0.326 3.791 4.120 -0.005 0.000 0.251 189 V C 2.617 178.795 176.094 0.140 0.000 1.063 189 V CA 2.330 64.635 62.300 0.009 0.000 1.055 189 V CB -0.595 31.214 31.823 -0.024 0.000 0.657 189 V HN 0.501 nan 8.190 nan 0.000 0.455 190 S N -1.008 114.773 115.700 0.135 0.000 2.387 190 S HA -0.147 4.320 4.470 -0.005 0.000 0.226 190 S C 1.873 176.615 174.600 0.236 0.000 1.026 190 S CA 1.348 59.637 58.200 0.149 0.000 0.972 190 S CB -0.359 62.904 63.200 0.105 0.000 0.814 190 S HN 0.565 nan 8.310 nan 0.000 0.477 191 F N 2.208 122.215 119.950 0.093 0.000 2.113 191 F HA -0.008 4.515 4.527 -0.006 0.000 0.297 191 F C 2.063 177.945 175.800 0.136 0.000 1.103 191 F CA 1.334 59.393 58.000 0.098 0.000 1.248 191 F CB -0.722 38.323 39.000 0.075 0.000 0.999 191 F HN 0.039 nan 8.300 nan 0.000 0.475 192 V N 0.067 120.100 119.914 0.199 0.000 2.220 192 V HA -0.371 3.746 4.120 -0.005 0.000 0.246 192 V C 2.200 178.361 176.094 0.112 0.000 1.049 192 V CA 2.422 64.791 62.300 0.114 0.000 1.003 192 V CB -1.363 30.555 31.823 0.159 0.000 0.634 192 V HN 0.564 nan 8.190 nan 0.000 0.444 193 Y N 0.901 121.270 120.300 0.115 0.000 2.139 193 Y HA -0.307 4.240 4.550 -0.005 0.000 0.282 193 Y C 2.667 178.546 175.900 -0.036 0.000 1.179 193 Y CA 2.217 60.350 58.100 0.054 0.000 1.161 193 Y CB -0.146 38.356 38.460 0.069 0.000 0.970 193 Y HN 0.255 nan 8.280 nan 0.000 0.511 194 E N 0.662 120.985 120.200 0.205 0.000 2.033 194 E HA -0.285 4.063 4.350 -0.005 0.000 0.199 194 E C 2.300 178.762 176.600 -0.230 0.000 1.011 194 E CA 2.302 58.719 56.400 0.027 0.000 0.815 194 E CB -0.724 28.960 29.700 -0.027 0.000 0.755 194 E HN 0.814 nan 8.360 nan 0.000 0.451 195 M N -1.127 118.239 119.600 -0.389 0.000 2.319 195 M HA 0.028 4.505 4.480 -0.005 0.000 0.265 195 M C 2.380 178.506 176.300 -0.290 0.000 1.068 195 M CA 1.310 56.294 55.300 -0.527 0.000 1.118 195 M CB -0.431 31.816 32.600 -0.589 0.000 1.395 195 M HN -0.009 nan 8.290 nan 0.000 0.435 196 M N 1.391 120.898 119.600 -0.156 0.000 2.086 196 M HA -0.156 4.321 4.480 -0.005 0.000 0.261 196 M C 2.071 178.337 176.300 -0.056 0.000 1.067 196 M CA 1.669 56.947 55.300 -0.038 0.000 1.116 196 M CB -0.156 32.402 32.600 -0.070 0.000 1.348 196 M HN 0.434 nan 8.290 nan 0.000 0.407 197 L N 0.662 121.733 121.223 -0.254 0.000 2.005 197 L HA -0.021 4.316 4.340 -0.005 0.000 0.207 197 L C 2.441 179.248 176.870 -0.105 0.000 1.072 197 L CA 2.316 57.039 54.840 -0.196 0.000 0.744 197 L CB -1.426 40.458 42.059 -0.293 0.000 0.895 197 L HN 0.333 nan 8.230 nan 0.000 0.433 198 A N -0.793 121.912 122.820 -0.191 0.000 1.859 198 A HA -0.324 3.993 4.320 -0.005 0.000 0.218 198 A C 2.286 179.787 177.584 -0.138 0.000 1.209 198 A CA 2.402 54.305 52.037 -0.223 0.000 0.639 198 A CB -1.595 17.151 19.000 -0.424 0.000 0.835 198 A HN 0.634 nan 8.150 nan 0.000 0.450 199 Y N -0.002 120.242 120.300 -0.093 0.000 2.256 199 Y HA -0.212 4.335 4.550 -0.006 0.000 0.288 199 Y C 3.198 179.003 175.900 -0.157 0.000 1.155 199 Y CA 0.974 59.000 58.100 -0.123 0.000 1.203 199 Y CB -0.175 38.214 38.460 -0.118 0.000 0.980 199 Y HN 0.488 nan 8.280 nan 0.000 0.530 200 S N 0.874 116.613 115.700 0.065 0.000 2.359 200 S HA -0.230 4.237 4.470 -0.005 0.000 0.223 200 S C 1.756 176.371 174.600 0.025 0.000 1.039 200 S CA 1.993 60.229 58.200 0.059 0.000 1.042 200 S CB -0.349 62.979 63.200 0.212 0.000 0.915 200 S HN 0.466 nan 8.310 nan 0.000 0.439 201 N N 1.801 120.512 118.700 0.018 0.000 2.396 201 N HA 0.143 4.880 4.740 -0.005 0.000 0.180 201 N C 1.584 177.069 175.510 -0.042 0.000 1.028 201 N CA 1.014 54.065 53.050 0.002 0.000 0.893 201 N CB -0.777 37.712 38.487 0.003 0.000 0.967 201 N HN 0.572 nan 8.380 nan 0.000 0.440 202 A N 0.942 123.732 122.820 -0.049 0.000 2.239 202 A HA -0.025 4.292 4.320 -0.005 0.000 0.209 202 A C 0.478 177.951 177.584 -0.185 0.000 1.171 202 A CA 0.267 52.268 52.037 -0.060 0.000 0.768 202 A CB -0.134 18.892 19.000 0.043 0.000 0.790 202 A HN 0.005 nan 8.150 nan 0.000 0.478 203 K N 0.031 120.240 120.400 -0.319 0.000 3.071 203 K HA -0.192 4.125 4.320 -0.005 0.000 0.262 203 K C -0.297 175.859 176.600 -0.740 0.000 0.977 203 K CA 1.116 57.035 56.287 -0.613 0.000 0.721 203 K CB -2.284 30.060 32.500 -0.260 0.000 1.293 203 K HN 0.869 nan 8.250 nan 0.000 0.475 204 N N 0.298 118.576 118.700 -0.703 0.000 2.904 204 N HA 0.142 4.879 4.740 -0.005 0.000 0.257 204 N C 0.232 175.460 175.510 -0.471 0.000 1.363 204 N CA -0.336 52.431 53.050 -0.472 0.000 0.856 204 N CB 0.374 38.705 38.487 -0.260 0.000 1.166 204 N HN 0.157 nan 8.380 nan 0.000 0.499 205 Y N 0.492 120.699 120.300 -0.154 0.000 2.553 205 Y HA 0.138 4.685 4.550 -0.004 0.000 0.303 205 Y C 2.221 178.013 175.900 -0.181 0.000 1.194 205 Y CA 0.009 57.992 58.100 -0.196 0.000 1.305 205 Y CB 0.396 38.739 38.460 -0.195 0.000 1.045 205 Y HN 0.517 nan 8.280 nan 0.000 0.514 206 G N -0.350 108.389 108.800 -0.102 0.000 2.403 206 G HA2 -0.162 3.795 3.960 -0.005 0.000 0.216 206 G HA3 -0.162 3.795 3.960 -0.005 0.000 0.216 206 G C 1.612 176.430 174.900 -0.136 0.000 1.154 206 G CA 1.393 46.429 45.100 -0.106 0.000 0.784 206 G HN 0.283 nan 8.290 nan 0.000 0.538 207 T N 0.326 114.742 114.554 -0.230 0.000 3.033 207 T HA 0.041 4.388 4.350 -0.005 0.000 0.248 207 T C 2.523 177.171 174.700 -0.087 0.000 1.040 207 T CA 0.519 62.485 62.100 -0.223 0.000 1.133 207 T CB 0.043 68.590 68.868 -0.534 0.000 0.895 207 T HN 0.016 nan 8.240 nan 0.000 0.465 208 V N 1.941 121.813 119.914 -0.070 0.000 2.439 208 V HA -0.177 3.940 4.120 -0.005 0.000 0.253 208 V C 2.722 178.773 176.094 -0.072 0.000 1.074 208 V CA 2.095 64.370 62.300 -0.043 0.000 1.076 208 V CB -1.238 30.506 31.823 -0.132 0.000 0.664 208 V HN 0.606 nan 8.190 nan 0.000 0.461 209 G N -0.884 107.873 108.800 -0.072 0.000 2.403 209 G HA2 -0.120 3.837 3.960 -0.005 0.000 0.216 209 G HA3 -0.120 3.837 3.960 -0.005 0.000 0.216 209 G C 1.566 176.447 174.900 -0.031 0.000 1.154 209 G CA 0.424 45.488 45.100 -0.060 0.000 0.784 209 G HN 0.468 nan 8.290 nan 0.000 0.538 210 L N 0.142 121.345 121.223 -0.033 0.000 2.141 210 L HA -0.080 4.258 4.340 -0.005 0.000 0.209 210 L C 2.957 179.814 176.870 -0.022 0.000 1.094 210 L CA 0.468 55.289 54.840 -0.033 0.000 0.763 210 L CB -0.305 41.727 42.059 -0.045 0.000 0.908 210 L HN 0.251 nan 8.230 nan 0.000 0.437 211 C N -0.210 119.097 119.300 0.012 0.000 2.413 211 C HA -0.188 4.269 4.460 -0.005 0.000 0.276 211 C C 2.680 177.735 174.990 0.109 0.000 1.236 211 C CA 0.600 59.654 59.018 0.060 0.000 1.735 211 C CB -0.848 26.949 27.740 0.095 0.000 2.031 211 C HN 0.436 nan 8.230 nan 0.000 0.474 212 L N 0.277 121.547 121.223 0.079 0.000 2.083 212 L HA -0.198 4.139 4.340 -0.005 0.000 0.209 212 L C 2.902 179.817 176.870 0.074 0.000 1.083 212 L CA 1.250 56.141 54.840 0.086 0.000 0.752 212 L CB -0.698 41.394 42.059 0.055 0.000 0.899 212 L HN 0.394 nan 8.230 nan 0.000 0.433 213 Q N -0.334 119.484 119.800 0.031 0.000 2.050 213 Q HA -0.161 4.176 4.340 -0.005 0.000 0.202 213 Q C 2.433 178.441 176.000 0.013 0.000 0.980 213 Q CA 1.568 57.381 55.803 0.018 0.000 0.840 213 Q CB -0.548 28.188 28.738 -0.003 0.000 0.898 213 Q HN 0.390 nan 8.270 nan 0.000 0.424 214 V N 0.086 119.974 119.914 -0.043 0.000 2.237 214 V HA -0.274 3.843 4.120 -0.005 0.000 0.245 214 V C 2.060 178.056 176.094 -0.163 0.000 1.046 214 V CA 1.774 63.965 62.300 -0.181 0.000 1.007 214 V CB -0.931 30.657 31.823 -0.392 0.000 0.638 214 V HN 0.228 nan 8.190 nan 0.000 0.445 215 Y N 0.939 121.138 120.300 -0.168 0.000 2.030 215 Y HA -0.395 4.152 4.550 -0.005 0.000 0.272 215 Y C 2.558 178.413 175.900 -0.075 0.000 1.185 215 Y CA 2.489 60.520 58.100 -0.115 0.000 1.120 215 Y CB -0.760 37.666 38.460 -0.058 0.000 0.955 215 Y HN 0.198 nan 8.280 nan 0.000 0.495 216 A N -0.775 122.124 122.820 0.132 0.000 1.972 216 A HA -0.267 4.050 4.320 -0.005 0.000 0.219 216 A C 2.163 179.761 177.584 0.023 0.000 1.169 216 A CA 1.842 53.921 52.037 0.070 0.000 0.635 216 A CB -0.738 18.301 19.000 0.065 0.000 0.810 216 A HN 0.656 nan 8.150 nan 0.000 0.446 217 Q N -1.833 117.994 119.800 0.045 0.000 2.096 217 Q HA -0.158 4.179 4.340 -0.005 0.000 0.197 217 Q C 1.455 177.398 176.000 -0.096 0.000 0.964 217 Q CA 1.360 57.216 55.803 0.089 0.000 0.838 217 Q CB -0.144 28.737 28.738 0.238 0.000 0.906 217 Q HN 0.778 nan 8.270 nan 0.000 0.444 218 W N -0.105 120.819 121.300 -0.627 0.000 3.047 218 W HA 0.084 4.741 4.660 -0.005 0.000 0.250 218 W C 1.795 177.669 176.519 -1.075 0.000 1.314 218 W CA -0.283 56.264 57.345 -1.329 0.000 1.540 218 W CB -0.269 28.615 29.460 -0.960 0.000 1.127 218 W HN 0.006 nan 8.180 nan 0.000 0.679 219 V N 0.154 119.851 119.914 -0.361 0.000 2.317 219 V HA -0.391 3.726 4.120 -0.005 0.000 0.251 219 V C 2.296 178.253 176.094 -0.227 0.000 1.065 219 V CA 2.415 64.578 62.300 -0.229 0.000 1.049 219 V CB -1.096 30.681 31.823 -0.077 0.000 0.651 219 V HN 0.099 nan 8.190 nan 0.000 0.450 220 S N -0.392 115.176 115.700 -0.220 0.000 2.365 220 S HA -0.250 4.217 4.470 -0.005 0.000 0.221 220 S C 1.224 175.832 174.600 0.013 0.000 1.037 220 S CA 2.131 60.302 58.200 -0.048 0.000 1.060 220 S CB -0.526 62.731 63.200 0.095 0.000 0.974 220 S HN 0.957 nan 8.310 nan 0.000 0.427 221 W N 1.367 122.633 121.300 -0.056 0.000 3.364 221 W HA 0.602 5.259 4.660 -0.006 0.000 0.397 221 W C -0.387 176.109 176.519 -0.037 0.000 1.107 221 W CA -0.859 56.443 57.345 -0.072 0.000 1.892 221 W CB -0.729 28.643 29.460 -0.147 0.000 1.027 221 W HN -0.040 nan 8.180 nan 0.000 0.761 222 I N 3.133 123.591 120.570 -0.186 0.000 2.396 222 I HA 0.083 4.250 4.170 -0.005 0.000 0.292 222 I C 0.321 176.428 176.117 -0.015 0.000 0.999 222 I CA -0.885 60.347 61.300 -0.113 0.000 1.310 222 I CB 0.627 38.516 38.000 -0.186 0.000 1.404 222 I HN -0.035 nan 8.210 nan 0.000 0.496 223 N N 6.699 125.412 118.700 0.021 0.000 2.412 223 N HA 0.045 4.782 4.740 -0.005 0.000 0.258 223 N C 1.130 176.648 175.510 0.014 0.000 1.236 223 N CA 0.185 53.253 53.050 0.029 0.000 0.882 223 N CB 1.113 39.623 38.487 0.037 0.000 1.066 223 N HN 0.522 nan 8.380 nan 0.000 0.465 224 I N 1.410 121.990 120.570 0.016 0.000 2.127 224 I HA -0.339 3.828 4.170 -0.005 0.000 0.241 224 I C 1.678 177.803 176.117 0.012 0.000 1.075 224 I CA 1.110 62.418 61.300 0.013 0.000 1.334 224 I CB -0.324 37.684 38.000 0.013 0.000 1.040 224 I HN 0.460 nan 8.210 nan 0.000 0.405 225 N N 1.183 119.890 118.700 0.012 0.000 2.247 225 N HA -0.187 4.550 4.740 -0.005 0.000 0.189 225 N C 1.829 177.344 175.510 0.007 0.000 1.009 225 N CA 1.397 54.452 53.050 0.008 0.000 0.872 225 N CB -0.347 38.146 38.487 0.009 0.000 0.980 225 N HN 0.440 nan 8.380 nan 0.000 0.436 226 L N -0.006 121.223 121.223 0.011 0.000 2.418 226 L HA 0.121 4.458 4.340 -0.005 0.000 0.218 226 L C 1.894 178.782 176.870 0.029 0.000 1.125 226 L CA 0.334 55.181 54.840 0.012 0.000 0.835 226 L CB 0.102 42.168 42.059 0.011 0.000 0.953 226 L HN 0.056 nan 8.230 nan 0.000 0.454 227 I N -0.583 120.006 120.570 0.032 0.000 4.018 227 I HA -0.058 4.109 4.170 -0.005 0.000 0.337 227 I C 1.794 177.939 176.117 0.047 0.000 1.327 227 I CA 0.078 61.416 61.300 0.064 0.000 1.100 227 I CB 0.700 38.732 38.000 0.053 0.000 1.025 227 I HN 0.052 nan 8.210 nan 0.000 0.396 228 V N -1.594 118.334 119.914 0.022 0.000 2.878 228 V HA 0.028 4.145 4.120 -0.005 0.000 0.250 228 V C 1.094 177.188 176.094 0.000 0.000 1.075 228 V CA 0.308 62.614 62.300 0.010 0.000 1.096 228 V CB -1.396 30.429 31.823 0.003 0.000 0.724 228 V HN 0.596 nan 8.190 nan 0.000 0.467 229 N N 1.756 120.450 118.700 -0.009 0.000 2.167 229 N HA -0.175 4.562 4.740 -0.005 0.000 0.258 229 N C 1.217 176.713 175.510 -0.024 0.000 1.241 229 N CA 1.021 54.051 53.050 -0.034 0.000 0.829 229 N CB 0.702 39.145 38.487 -0.073 0.000 1.072 229 N HN 0.571 nan 8.380 nan 0.000 0.466 230 E N 2.054 122.238 120.200 -0.028 0.000 2.140 230 E HA 0.010 4.357 4.350 -0.005 0.000 0.191 230 E C -1.141 175.457 176.600 -0.004 0.000 0.973 230 E CA 0.558 56.948 56.400 -0.017 0.000 0.829 230 E CB -1.884 27.805 29.700 -0.018 0.000 0.781 230 E HN 0.835 nan 8.360 nan 0.000 0.466 231 P HA -0.164 nan 4.420 nan 0.000 0.217 231 P C 1.842 179.245 177.300 0.172 0.000 1.148 231 P CA 1.625 64.756 63.100 0.052 0.000 0.828 231 P CB -0.472 31.230 31.700 0.004 0.000 0.783 232 C N -1.402 117.989 119.300 0.153 0.000 2.475 232 C HA 0.020 4.477 4.460 -0.005 0.000 0.279 232 C C 2.691 177.678 174.990 -0.005 0.000 1.322 232 C CA 0.404 59.556 59.018 0.224 0.000 1.734 232 C CB -1.707 26.134 27.740 0.168 0.000 2.005 232 C HN 0.069 nan 8.230 nan 0.000 0.495 233 M N 1.178 120.775 119.600 -0.005 0.000 2.064 233 M HA -0.083 4.394 4.480 -0.005 0.000 0.260 233 M C 1.981 178.266 176.300 -0.026 0.000 1.073 233 M CA 1.530 56.816 55.300 -0.023 0.000 1.124 233 M CB -1.791 30.802 32.600 -0.012 0.000 1.326 233 M HN 0.464 nan 8.290 nan 0.000 0.410 234 N N 0.624 119.314 118.700 -0.016 0.000 2.192 234 N HA -0.176 4.561 4.740 -0.005 0.000 0.188 234 N C 1.685 177.159 175.510 -0.061 0.000 1.013 234 N CA 1.091 54.136 53.050 -0.008 0.000 0.863 234 N CB -0.171 38.315 38.487 -0.002 0.000 0.990 234 N HN 0.175 nan 8.380 nan 0.000 0.430 235 L N 1.451 122.577 121.223 -0.160 0.000 2.007 235 L HA 0.009 4.346 4.340 -0.005 0.000 0.205 235 L C 2.226 178.611 176.870 -0.808 0.000 1.073 235 L CA 1.186 55.766 54.840 -0.433 0.000 0.744 235 L CB -0.896 40.882 42.059 -0.469 0.000 0.898 235 L HN 0.060 nan 8.230 nan 0.000 0.435 236 L N -1.655 119.181 121.223 -0.644 0.000 2.043 236 L HA -0.308 4.029 4.340 -0.005 0.000 0.212 236 L C 2.552 179.250 176.870 -0.287 0.000 1.075 236 L CA 1.808 56.304 54.840 -0.574 0.000 0.752 236 L CB -0.932 40.964 42.059 -0.271 0.000 0.891 236 L HN 0.325 nan 8.230 nan 0.000 0.432 237 Y N 1.004 121.171 120.300 -0.220 0.000 2.224 237 Y HA -0.296 4.251 4.550 -0.005 0.000 0.289 237 Y C 2.983 178.855 175.900 -0.048 0.000 1.146 237 Y CA 1.616 59.665 58.100 -0.084 0.000 1.182 237 Y CB -0.111 38.322 38.460 -0.045 0.000 0.983 237 Y HN 0.301 nan 8.280 nan 0.000 0.524 238 S N -0.655 115.044 115.700 -0.002 0.000 2.383 238 S HA -0.229 4.238 4.470 -0.005 0.000 0.227 238 S C 2.012 176.674 174.600 0.104 0.000 1.026 238 S CA 1.169 59.396 58.200 0.046 0.000 0.981 238 S CB -1.564 61.665 63.200 0.048 0.000 0.818 238 S HN 0.556 nan 8.310 nan 0.000 0.472 239 F N 1.754 121.656 119.950 -0.080 0.000 2.236 239 F HA -0.120 4.404 4.527 -0.005 0.000 0.302 239 F C 2.342 178.043 175.800 -0.166 0.000 1.073 239 F CA 0.597 58.520 58.000 -0.129 0.000 1.336 239 F CB -0.506 38.419 39.000 -0.125 0.000 1.040 239 F HN 0.213 nan 8.300 nan 0.000 0.507 240 L N 0.044 121.270 121.223 0.005 0.000 2.021 240 L HA -0.327 4.010 4.340 -0.005 0.000 0.215 240 L C 2.354 179.181 176.870 -0.072 0.000 1.074 240 L CA 1.611 56.412 54.840 -0.065 0.000 0.760 240 L CB -0.718 41.180 42.059 -0.268 0.000 0.889 240 L HN 0.250 nan 8.230 nan 0.000 0.433 241 Q N -0.446 119.319 119.800 -0.058 0.000 2.508 241 Q HA -0.014 4.323 4.340 -0.005 0.000 0.214 241 Q C 0.231 176.160 176.000 -0.118 0.000 0.979 241 Q CA 0.473 56.242 55.803 -0.057 0.000 0.911 241 Q CB -0.000 28.736 28.738 -0.004 0.000 0.969 241 Q HN 0.522 nan 8.270 nan 0.000 0.504 242 I N 0.595 121.066 120.570 -0.164 0.000 2.385 242 I HA 0.017 4.184 4.170 -0.005 0.000 0.294 242 I C 1.206 177.121 176.117 -0.337 0.000 0.988 242 I CA -0.497 60.626 61.300 -0.295 0.000 1.265 242 I CB 1.582 39.292 38.000 -0.482 0.000 1.388 242 I HN -0.053 nan 8.210 nan 0.000 0.480 243 E N 4.308 124.311 120.200 -0.328 0.000 2.006 243 E HA -0.214 4.133 4.350 -0.005 0.000 0.192 243 E C 1.549 177.986 176.600 -0.273 0.000 0.993 243 E CA 1.922 58.145 56.400 -0.294 0.000 0.808 243 E CB 0.109 29.680 29.700 -0.217 0.000 0.764 243 E HN 0.590 nan 8.360 nan 0.000 0.449 244 E N 0.095 120.128 120.200 -0.278 0.000 2.160 244 E HA -0.097 4.250 4.350 -0.005 0.000 0.195 244 E C 2.127 178.596 176.600 -0.218 0.000 0.991 244 E CA 1.195 57.473 56.400 -0.204 0.000 0.810 244 E CB -0.202 29.412 29.700 -0.143 0.000 0.742 244 E HN 0.317 nan 8.360 nan 0.000 0.466 245 L N 0.505 121.529 121.223 -0.332 0.000 2.270 245 L HA 0.017 4.354 4.340 -0.005 0.000 0.210 245 L C 2.479 179.257 176.870 -0.153 0.000 1.104 245 L CA 0.658 55.328 54.840 -0.282 0.000 0.804 245 L CB -0.370 41.407 42.059 -0.470 0.000 0.937 245 L HN 0.124 nan 8.230 nan 0.000 0.450 246 R N -0.076 120.326 120.500 -0.162 0.000 2.159 246 R HA -0.178 4.159 4.340 -0.005 0.000 0.237 246 R C 2.015 178.328 176.300 0.021 0.000 1.131 246 R CA 1.916 57.979 56.100 -0.061 0.000 0.982 246 R CB -1.110 29.078 30.300 -0.187 0.000 0.868 246 R HN 0.320 nan 8.270 nan 0.000 0.453 247 C N 0.658 119.932 119.300 -0.044 0.000 2.475 247 C HA 0.212 4.669 4.460 -0.005 0.000 0.279 247 C C 3.122 177.967 174.990 -0.242 0.000 1.322 247 C CA 0.523 59.445 59.018 -0.161 0.000 1.734 247 C CB -0.583 27.099 27.740 -0.098 0.000 2.005 247 C HN 0.724 nan 8.230 nan 0.000 0.495 248 A N 0.942 123.691 122.820 -0.118 0.000 1.898 248 A HA 0.087 4.404 4.320 -0.005 0.000 0.216 248 A C 2.379 179.940 177.584 -0.038 0.000 1.181 248 A CA 2.016 54.009 52.037 -0.073 0.000 0.620 248 A CB -0.943 18.033 19.000 -0.040 0.000 0.819 248 A HN 0.539 nan 8.150 nan 0.000 0.442 249 A N -1.085 121.738 122.820 0.004 0.000 1.883 249 A HA -0.237 4.080 4.320 -0.005 0.000 0.217 249 A C 2.438 180.015 177.584 -0.012 0.000 1.186 249 A CA 1.810 53.874 52.037 0.044 0.000 0.624 249 A CB -1.414 17.651 19.000 0.108 0.000 0.822 249 A HN 0.823 nan 8.150 nan 0.000 0.444 250 C N -0.530 118.748 119.300 -0.038 0.000 2.440 250 C HA -0.029 4.428 4.460 -0.005 0.000 0.278 250 C C 2.530 177.482 174.990 -0.064 0.000 1.295 250 C CA 1.398 60.386 59.018 -0.051 0.000 1.738 250 C CB -1.264 26.448 27.740 -0.047 0.000 1.987 250 C HN 0.688 nan 8.230 nan 0.000 0.492 251 E N -0.404 119.721 120.200 -0.125 0.000 2.106 251 E HA -0.179 4.168 4.350 -0.005 0.000 0.192 251 E C 2.270 178.867 176.600 -0.005 0.000 0.984 251 E CA 1.642 58.010 56.400 -0.053 0.000 0.806 251 E CB -0.206 29.450 29.700 -0.075 0.000 0.750 251 E HN 0.744 nan 8.360 nan 0.000 0.458 252 T N 0.044 114.596 114.554 -0.003 0.000 2.821 252 T HA -0.128 4.219 4.350 -0.005 0.000 0.267 252 T C 1.882 176.600 174.700 0.030 0.000 1.046 252 T CA 1.056 63.175 62.100 0.031 0.000 1.139 252 T CB -0.029 68.865 68.868 0.042 0.000 0.871 252 T HN 0.053 nan 8.240 nan 0.000 0.454 253 M N 0.509 120.115 119.600 0.011 0.000 2.175 253 M HA -0.039 4.438 4.480 -0.005 0.000 0.264 253 M C 2.620 178.929 176.300 0.015 0.000 1.063 253 M CA 1.639 56.949 55.300 0.016 0.000 1.119 253 M CB -0.742 31.872 32.600 0.024 0.000 1.377 253 M HN 0.234 nan 8.290 nan 0.000 0.415 254 T N 0.294 114.854 114.554 0.010 0.000 2.759 254 T HA -0.133 4.214 4.350 -0.005 0.000 0.269 254 T C 1.771 176.478 174.700 0.012 0.000 1.042 254 T CA 1.159 63.263 62.100 0.007 0.000 1.140 254 T CB -0.187 68.689 68.868 0.014 0.000 0.864 254 T HN 0.321 nan 8.240 nan 0.000 0.455 255 E N 0.688 120.901 120.200 0.021 0.000 2.077 255 E HA -0.014 4.333 4.350 -0.005 0.000 0.193 255 E C 2.213 178.825 176.600 0.020 0.000 0.989 255 E CA 0.777 57.191 56.400 0.023 0.000 0.800 255 E CB -0.276 29.442 29.700 0.030 0.000 0.746 255 E HN 0.510 nan 8.360 nan 0.000 0.452 256 I N 0.420 121.008 120.570 0.029 0.000 2.394 256 I HA -0.192 3.976 4.170 -0.005 0.000 0.251 256 I C 2.187 178.312 176.117 0.013 0.000 1.136 256 I CA 0.451 61.768 61.300 0.030 0.000 1.425 256 I CB 0.064 38.093 38.000 0.047 0.000 1.079 256 I HN -0.076 nan 8.210 nan 0.000 0.425 257 V N 1.089 121.006 119.914 0.005 0.000 2.809 257 V HA -0.151 3.966 4.120 -0.005 0.000 0.256 257 V C 1.668 177.757 176.094 -0.009 0.000 1.080 257 V CA 1.363 63.658 62.300 -0.009 0.000 1.102 257 V CB -0.628 31.182 31.823 -0.021 0.000 0.705 257 V HN 0.473 nan 8.190 nan 0.000 0.475 258 N N -0.927 117.773 118.700 -0.001 0.000 2.325 258 N HA 0.027 4.764 4.740 -0.005 0.000 0.182 258 N C 0.832 176.345 175.510 0.006 0.000 1.088 258 N CA 0.016 53.067 53.050 0.001 0.000 0.879 258 N CB 0.024 38.514 38.487 0.006 0.000 0.983 258 N HN 0.198 nan 8.380 nan 0.000 0.471 259 K N 2.530 122.934 120.400 0.006 0.000 2.473 259 K HA -0.067 4.250 4.320 -0.005 0.000 0.277 259 K C 0.064 176.669 176.600 0.008 0.000 1.052 259 K CA 0.366 56.658 56.287 0.007 0.000 1.114 259 K CB 0.130 32.634 32.500 0.006 0.000 0.869 259 K HN 0.212 nan 8.250 nan 0.000 0.481 260 K N 5.713 126.120 120.400 0.012 0.000 2.408 260 K HA 0.030 4.347 4.320 -0.005 0.000 0.231 260 K C 0.886 177.493 176.600 0.011 0.000 1.261 260 K CA 0.028 56.322 56.287 0.011 0.000 1.193 260 K CB -0.642 31.866 32.500 0.014 0.000 1.431 260 K HN 0.498 nan 8.250 nan 0.000 0.243 261 M N -1.020 118.585 119.600 0.008 0.000 2.159 261 M HA 0.265 4.742 4.480 -0.005 0.000 0.293 261 M C -0.142 176.162 176.300 0.006 0.000 1.186 261 M CA -0.520 54.785 55.300 0.008 0.000 1.073 261 M CB 0.599 33.203 32.600 0.006 0.000 1.419 261 M HN -0.048 nan 8.290 nan 0.000 0.490 262 K N 1.263 121.666 120.400 0.006 0.000 2.382 262 K HA 0.162 4.479 4.320 -0.005 0.000 0.275 262 K C -1.683 174.918 176.600 0.003 0.000 1.009 262 K CA -1.296 54.994 56.287 0.005 0.000 0.970 262 K CB 0.522 33.025 32.500 0.005 0.000 0.934 262 K HN 0.468 nan 8.250 nan 0.000 0.479 263 P HA -0.250 nan 4.420 nan 0.000 0.218 263 P C 1.632 178.932 177.300 -0.000 0.000 1.154 263 P CA 1.689 64.790 63.100 0.002 0.000 0.872 263 P CB -0.166 31.536 31.700 0.003 0.000 0.790 264 L N -0.716 120.507 121.223 -0.000 0.000 2.217 264 L HA 0.009 4.346 4.340 -0.005 0.000 0.211 264 L C 2.729 179.597 176.870 -0.002 0.000 1.107 264 L CA 2.685 57.524 54.840 -0.002 0.000 0.783 264 L CB -2.421 39.637 42.059 -0.002 0.000 0.919 264 L HN 0.244 nan 8.230 nan 0.000 0.442 265 E N -0.168 120.031 120.200 -0.001 0.000 2.102 265 E HA -0.112 4.236 4.350 -0.005 0.000 0.190 265 E C 2.300 178.898 176.600 -0.002 0.000 0.971 265 E CA 0.961 57.360 56.400 -0.001 0.000 0.821 265 E CB -0.351 29.350 29.700 0.001 0.000 0.777 265 E HN 0.675 nan 8.360 nan 0.000 0.460 266 K N 0.329 120.728 120.400 -0.003 0.000 2.097 266 K HA 0.076 4.393 4.320 -0.005 0.000 0.206 266 K C 1.944 178.538 176.600 -0.010 0.000 1.049 266 K CA 0.955 57.238 56.287 -0.006 0.000 0.933 266 K CB -0.551 31.944 32.500 -0.008 0.000 0.717 266 K HN 0.390 nan 8.250 nan 0.000 0.442 267 L N 0.328 121.546 121.223 -0.008 0.000 2.275 267 L HA -0.143 4.194 4.340 -0.005 0.000 0.215 267 L C 1.727 178.593 176.870 -0.007 0.000 1.119 267 L CA 1.023 55.858 54.840 -0.007 0.000 0.790 267 L CB -0.347 41.710 42.059 -0.003 0.000 0.919 267 L HN 0.306 nan 8.230 nan 0.000 0.443 268 N N -0.189 118.507 118.700 -0.007 0.000 2.207 268 N HA -0.106 4.631 4.740 -0.005 0.000 0.182 268 N C 1.977 177.481 175.510 -0.010 0.000 1.020 268 N CA 1.366 54.411 53.050 -0.008 0.000 0.858 268 N CB -0.036 38.446 38.487 -0.007 0.000 0.991 268 N HN 0.194 nan 8.380 nan 0.000 0.427 269 L N 0.472 121.689 121.223 -0.010 0.000 1.994 269 L HA 0.060 4.397 4.340 -0.005 0.000 0.208 269 L C 2.267 179.124 176.870 -0.021 0.000 1.071 269 L CA 1.585 56.417 54.840 -0.012 0.000 0.745 269 L CB -1.818 40.237 42.059 -0.006 0.000 0.892 269 L HN 0.262 nan 8.230 nan 0.000 0.431 270 L N -0.279 120.930 121.223 -0.023 0.000 2.450 270 L HA -0.254 4.083 4.340 -0.005 0.000 0.225 270 L C 2.352 179.200 176.870 -0.037 0.000 1.145 270 L CA 1.913 56.732 54.840 -0.036 0.000 0.801 270 L CB -0.676 41.361 42.059 -0.038 0.000 0.924 270 L HN 0.753 nan 8.230 nan 0.000 0.447 271 N N 0.024 118.710 118.700 -0.023 0.000 2.402 271 N HA -0.006 4.731 4.740 -0.005 0.000 0.174 271 N C 1.787 177.283 175.510 -0.024 0.000 1.027 271 N CA 0.252 53.295 53.050 -0.012 0.000 0.891 271 N CB 0.179 38.670 38.487 0.006 0.000 1.016 271 N HN 0.165 nan 8.380 nan 0.000 0.439 272 I N 0.349 120.900 120.570 -0.032 0.000 2.226 272 I HA -0.249 3.918 4.170 -0.005 0.000 0.245 272 I C 1.914 177.971 176.117 -0.100 0.000 1.100 272 I CA 0.885 62.156 61.300 -0.048 0.000 1.374 272 I CB -0.338 37.639 38.000 -0.039 0.000 1.057 272 I HN 0.166 nan 8.210 nan 0.000 0.413 273 L N 0.565 121.732 121.223 -0.093 0.000 1.976 273 L HA -0.238 4.099 4.340 -0.005 0.000 0.209 273 L C 2.468 179.240 176.870 -0.164 0.000 1.071 273 L CA 1.990 56.751 54.840 -0.131 0.000 0.746 273 L CB -0.786 41.241 42.059 -0.054 0.000 0.890 273 L HN 0.327 nan 8.230 nan 0.000 0.432 274 N N 0.085 118.719 118.700 -0.111 0.000 2.060 274 N HA -0.271 4.466 4.740 -0.005 0.000 0.195 274 N C 1.759 177.222 175.510 -0.078 0.000 1.028 274 N CA 1.466 54.446 53.050 -0.116 0.000 0.861 274 N CB -0.154 38.273 38.487 -0.100 0.000 1.029 274 N HN 0.066 nan 8.380 nan 0.000 0.428 275 L N 1.173 122.377 121.223 -0.032 0.000 2.017 275 L HA -0.088 4.249 4.340 -0.005 0.000 0.208 275 L C 1.850 178.783 176.870 0.106 0.000 1.073 275 L CA 1.613 56.500 54.840 0.077 0.000 0.745 275 L CB -0.995 41.128 42.059 0.106 0.000 0.894 275 L HN 0.338 nan 8.230 nan 0.000 0.432 276 N N -0.702 117.917 118.700 -0.136 0.000 2.223 276 N HA -0.156 4.582 4.740 -0.005 0.000 0.185 276 N C 1.875 177.190 175.510 -0.324 0.000 1.016 276 N CA 1.313 54.124 53.050 -0.399 0.000 0.863 276 N CB -0.094 37.714 38.487 -1.133 0.000 0.983 276 N HN 0.363 nan 8.380 nan 0.000 0.429 277 L N -0.561 120.531 121.223 -0.218 0.000 2.095 277 L HA -0.084 4.253 4.340 -0.005 0.000 0.204 277 L C 2.207 179.093 176.870 0.026 0.000 1.080 277 L CA 0.556 55.381 54.840 -0.025 0.000 0.759 277 L CB -0.442 41.517 42.059 -0.166 0.000 0.914 277 L HN 0.019 nan 8.230 nan 0.000 0.439 278 F N 0.794 120.648 119.950 -0.159 0.000 2.065 278 F HA -0.293 4.231 4.527 -0.005 0.000 0.298 278 F C 2.076 177.742 175.800 -0.223 0.000 1.112 278 F CA 1.763 59.615 58.000 -0.247 0.000 1.212 278 F CB -0.426 38.301 39.000 -0.455 0.000 0.975 278 F HN -0.099 nan 8.300 nan 0.000 0.476 279 F N 0.222 120.222 119.950 0.084 0.000 2.546 279 F HA -0.024 4.500 4.527 -0.005 0.000 0.298 279 F C 1.551 177.348 175.800 -0.004 0.000 1.120 279 F CA 0.619 58.625 58.000 0.010 0.000 1.456 279 F CB -0.749 38.321 39.000 0.116 0.000 1.088 279 F HN -0.034 nan 8.300 nan 0.000 0.572 280 S N 0.541 116.348 115.700 0.178 0.000 2.642 280 S HA 0.522 4.989 4.470 -0.005 0.000 0.309 280 S C 0.400 175.070 174.600 0.116 0.000 1.125 280 S CA -0.629 57.685 58.200 0.189 0.000 1.055 280 S CB 0.079 63.460 63.200 0.303 0.000 1.157 280 S HN 0.314 nan 8.310 nan 0.000 0.513 288 D N 0.211 120.713 120.400 0.171 0.000 2.692 288 D HA 0.802 5.439 4.640 -0.005 0.000 0.290 288 D C -2.529 173.881 176.300 0.184 0.000 1.281 288 D CA 0.050 54.135 54.000 0.140 0.000 0.804 288 D CB 1.383 42.263 40.800 0.133 0.000 1.331 288 D HN 0.502 nan 8.370 nan 0.000 0.432 289 P HA 0.071 nan 4.420 nan 0.000 0.215 289 P C 0.777 178.195 177.300 0.198 0.000 1.144 289 P CA 0.529 63.736 63.100 0.179 0.000 0.874 289 P CB 0.297 32.075 31.700 0.129 0.000 0.796 290 N N -0.378 118.426 118.700 0.174 0.000 2.289 290 N HA -0.131 4.606 4.740 -0.005 0.000 0.184 290 N C 1.656 177.286 175.510 0.200 0.000 1.016 290 N CA 0.778 53.897 53.050 0.115 0.000 0.872 290 N CB -0.775 37.787 38.487 0.125 0.000 0.973 290 N HN 0.099 nan 8.380 nan 0.000 0.433 291 F N 2.818 122.846 119.950 0.131 0.000 2.060 291 F HA -0.120 4.404 4.527 -0.005 0.000 0.295 291 F C 1.820 177.712 175.800 0.153 0.000 1.120 291 F CA 1.283 59.385 58.000 0.170 0.000 1.205 291 F CB -0.526 38.541 39.000 0.112 0.000 0.986 291 F HN -0.108 nan 8.300 nan 0.000 0.470 292 D N 0.315 120.776 120.400 0.101 0.000 2.116 292 D HA -0.255 4.382 4.640 -0.005 0.000 0.193 292 D C 2.184 178.449 176.300 -0.059 0.000 0.998 292 D CA 1.692 55.719 54.000 0.045 0.000 0.836 292 D CB -0.680 40.266 40.800 0.244 0.000 0.951 292 D HN 0.524 nan 8.370 nan 0.000 0.449 293 E N -0.396 119.784 120.200 -0.032 0.000 2.171 293 E HA -0.232 4.115 4.350 -0.005 0.000 0.197 293 E C 1.936 178.415 176.600 -0.201 0.000 0.997 293 E CA 0.980 57.299 56.400 -0.136 0.000 0.810 293 E CB 0.146 29.737 29.700 -0.182 0.000 0.738 293 E HN 0.379 nan 8.360 nan 0.000 0.467 294 H N -0.552 118.450 119.070 -0.114 0.000 2.307 294 H HA -0.063 4.490 4.556 -0.005 0.000 0.303 294 H C 2.365 177.545 175.328 -0.247 0.000 1.073 294 H CA 1.488 57.457 56.048 -0.132 0.000 1.338 294 H CB -0.364 29.369 29.762 -0.048 0.000 1.389 294 H HN 0.079 nan 8.280 nan 0.000 0.503 295 V N 1.436 121.176 119.914 -0.290 0.000 2.332 295 V HA -0.287 3.830 4.120 -0.005 0.000 0.248 295 V C 2.831 178.639 176.094 -0.475 0.000 1.055 295 V CA 1.662 63.722 62.300 -0.399 0.000 1.038 295 V CB -1.136 30.378 31.823 -0.515 0.000 0.651 295 V HN 0.464 nan 8.190 nan 0.000 0.450 296 A N 0.140 122.555 122.820 -0.674 0.000 1.883 296 A HA -0.284 4.033 4.320 -0.005 0.000 0.217 296 A C 2.258 179.685 177.584 -0.262 0.000 1.186 296 A CA 2.254 53.888 52.037 -0.672 0.000 0.624 296 A CB -0.513 18.193 19.000 -0.490 0.000 0.822 296 A HN 0.577 nan 8.150 nan 0.000 0.444 297 K N -0.771 119.529 120.400 -0.167 0.000 2.103 297 K HA -0.140 4.177 4.320 -0.005 0.000 0.207 297 K C 1.858 178.422 176.600 -0.060 0.000 1.048 297 K CA 1.345 57.590 56.287 -0.071 0.000 0.930 297 K CB -0.403 32.082 32.500 -0.025 0.000 0.716 297 K HN 0.395 nan 8.250 nan 0.000 0.444 298 L N 1.504 122.677 121.223 -0.084 0.000 1.976 298 L HA -0.144 4.193 4.340 -0.005 0.000 0.209 298 L C 1.941 178.764 176.870 -0.077 0.000 1.071 298 L CA 1.617 56.418 54.840 -0.065 0.000 0.746 298 L CB -0.370 41.649 42.059 -0.066 0.000 0.890 298 L HN 0.147 nan 8.230 nan 0.000 0.432 299 I N -0.174 120.342 120.570 -0.090 0.000 2.127 299 I HA -0.349 3.818 4.170 -0.005 0.000 0.241 299 I C 2.463 178.537 176.117 -0.070 0.000 1.075 299 I CA 1.724 62.994 61.300 -0.050 0.000 1.334 299 I CB -0.672 37.358 38.000 0.050 0.000 1.040 299 I HN 0.508 nan 8.210 nan 0.000 0.405 300 N N 1.438 120.145 118.700 0.010 0.000 2.060 300 N HA -0.253 4.484 4.740 -0.005 0.000 0.195 300 N C 1.863 177.311 175.510 -0.104 0.000 1.028 300 N CA 2.151 55.234 53.050 0.055 0.000 0.861 300 N CB -0.017 38.531 38.487 0.101 0.000 1.029 300 N HN 0.392 nan 8.380 nan 0.000 0.428 301 A N 1.033 123.802 122.820 -0.086 0.000 1.865 301 A HA -0.208 4.109 4.320 -0.005 0.000 0.217 301 A C 2.249 179.739 177.584 -0.156 0.000 1.191 301 A CA 1.631 53.615 52.037 -0.089 0.000 0.623 301 A CB -0.743 18.226 19.000 -0.052 0.000 0.826 301 A HN 0.548 nan 8.150 nan 0.000 0.444 302 Q N -0.811 118.874 119.800 -0.192 0.000 1.975 302 Q HA -0.129 4.208 4.340 -0.005 0.000 0.205 302 Q C 2.318 178.091 176.000 -0.379 0.000 0.990 302 Q CA 1.304 56.974 55.803 -0.222 0.000 0.845 302 Q CB -0.733 27.887 28.738 -0.196 0.000 0.913 302 Q HN 0.655 nan 8.270 nan 0.000 0.420 303 G N 1.060 109.403 108.800 -0.761 0.000 2.681 303 G HA2 -0.361 3.596 3.960 -0.005 0.000 0.220 303 G HA3 -0.361 3.596 3.960 -0.005 0.000 0.220 303 G C 1.520 175.976 174.900 -0.739 0.000 1.210 303 G CA 1.312 45.488 45.100 -1.540 0.000 0.783 303 G HN 0.327 nan 8.290 nan 0.000 0.609 304 V N 0.330 119.972 119.914 -0.454 0.000 2.568 304 V HA -0.134 3.983 4.120 -0.005 0.000 0.253 304 V C 2.708 178.761 176.094 -0.069 0.000 1.072 304 V CA 2.765 65.008 62.300 -0.095 0.000 1.084 304 V CB -0.263 31.558 31.823 -0.003 0.000 0.676 304 V HN 0.381 nan 8.190 nan 0.000 0.469 305 E N -0.002 120.129 120.200 -0.115 0.000 2.016 305 E HA -0.102 4.245 4.350 -0.005 0.000 0.190 305 E C 2.215 178.785 176.600 -0.050 0.000 0.985 305 E CA 1.580 57.940 56.400 -0.066 0.000 0.802 305 E CB -0.501 29.155 29.700 -0.073 0.000 0.762 305 E HN 0.579 nan 8.360 nan 0.000 0.448 306 L N 0.751 121.927 121.223 -0.078 0.000 2.013 306 L HA -0.216 4.121 4.340 -0.005 0.000 0.212 306 L C 2.604 179.483 176.870 0.015 0.000 1.073 306 L CA 1.082 55.903 54.840 -0.031 0.000 0.753 306 L CB -0.680 41.357 42.059 -0.036 0.000 0.890 306 L HN 0.014 nan 8.230 nan 0.000 0.432 307 V N -0.048 119.885 119.914 0.032 0.000 2.358 307 V HA -0.248 3.869 4.120 -0.005 0.000 0.246 307 V C 2.739 178.869 176.094 0.060 0.000 1.047 307 V CA 1.697 64.049 62.300 0.087 0.000 1.035 307 V CB -0.807 31.111 31.823 0.158 0.000 0.658 307 V HN 0.486 nan 8.190 nan 0.000 0.452 308 A N -0.354 122.489 122.820 0.039 0.000 1.978 308 A HA -0.171 4.146 4.320 -0.005 0.000 0.220 308 A C 2.173 179.772 177.584 0.025 0.000 1.170 308 A CA 1.795 53.851 52.037 0.032 0.000 0.636 308 A CB -0.513 18.500 19.000 0.021 0.000 0.810 308 A HN 0.533 nan 8.150 nan 0.000 0.448 309 I N 0.167 120.749 120.570 0.019 0.000 2.406 309 I HA -0.205 3.962 4.170 -0.005 0.000 0.249 309 I C 2.710 178.841 176.117 0.022 0.000 1.122 309 I CA 1.459 62.768 61.300 0.016 0.000 1.431 309 I CB -0.098 37.907 38.000 0.009 0.000 1.087 309 I HN 0.451 nan 8.210 nan 0.000 0.424 310 K N 0.545 120.964 120.400 0.031 0.000 2.360 310 K HA -0.091 4.226 4.320 -0.005 0.000 0.201 310 K C 1.905 178.524 176.600 0.031 0.000 1.046 310 K CA 1.327 57.634 56.287 0.034 0.000 0.945 310 K CB -1.512 31.017 32.500 0.050 0.000 0.750 310 K HN 0.614 nan 8.250 nan 0.000 0.464 311 S N 1.781 117.500 115.700 0.032 0.000 2.368 311 S HA -0.138 4.329 4.470 -0.005 0.000 0.224 311 S C 1.048 175.660 174.600 0.020 0.000 1.029 311 S CA 0.941 59.158 58.200 0.027 0.000 0.988 311 S CB -0.488 62.729 63.200 0.029 0.000 0.838 311 S HN 0.821 nan 8.310 nan 0.000 0.462 312 D N 1.294 121.704 120.400 0.017 0.000 2.634 312 D HA 0.279 4.916 4.640 -0.005 0.000 0.318 312 D C -1.520 174.786 176.300 0.011 0.000 1.226 312 D CA -1.894 52.113 54.000 0.013 0.000 0.899 312 D CB 0.536 41.343 40.800 0.011 0.000 1.025 312 D HN 0.219 nan 8.370 nan 0.000 0.501 313 P HA -0.158 nan 4.420 nan 0.000 0.218 313 P C 0.566 177.869 177.300 0.005 0.000 1.152 313 P CA 1.842 64.947 63.100 0.008 0.000 0.857 313 P CB 0.252 31.957 31.700 0.008 0.000 0.787 318 P HA 0.215 nan 4.420 nan 0.000 0.222 318 P C 1.502 178.786 177.300 -0.026 0.000 1.157 318 P CA 1.713 64.801 63.100 -0.020 0.000 0.816 318 P CB -0.379 31.308 31.700 -0.021 0.000 0.813 319 E N 1.436 121.618 120.200 -0.030 0.000 2.028 319 E HA -0.096 4.251 4.350 -0.005 0.000 0.191 319 E C 2.255 178.833 176.600 -0.035 0.000 0.988 319 E CA 1.171 57.546 56.400 -0.041 0.000 0.799 319 E CB -1.452 28.222 29.700 -0.044 0.000 0.755 319 E HN 0.206 nan 8.360 nan 0.000 0.447 320 L N 0.414 121.623 121.223 -0.024 0.000 2.187 320 L HA -0.194 4.143 4.340 -0.005 0.000 0.213 320 L C 2.903 179.769 176.870 -0.007 0.000 1.100 320 L CA 1.796 56.627 54.840 -0.014 0.000 0.765 320 L CB -0.344 41.709 42.059 -0.010 0.000 0.904 320 L HN 0.360 nan 8.230 nan 0.000 0.437 321 K N 0.395 120.789 120.400 -0.009 0.000 2.057 321 K HA -0.201 4.116 4.320 -0.005 0.000 0.207 321 K C 2.297 178.896 176.600 -0.002 0.000 1.049 321 K CA 1.631 57.916 56.287 -0.003 0.000 0.931 321 K CB -0.418 32.078 32.500 -0.007 0.000 0.714 321 K HN 0.622 nan 8.250 nan 0.000 0.440 322 E N 0.767 120.957 120.200 -0.016 0.000 2.006 322 E HA -0.190 4.157 4.350 -0.005 0.000 0.192 322 E C 1.864 178.469 176.600 0.009 0.000 0.993 322 E CA 1.801 58.188 56.400 -0.023 0.000 0.808 322 E CB -1.456 28.207 29.700 -0.061 0.000 0.764 322 E HN 0.748 nan 8.360 nan 0.000 0.449 323 N N -0.004 118.693 118.700 -0.004 0.000 2.064 323 N HA -0.266 4.471 4.740 -0.005 0.000 0.200 323 N C 1.955 177.526 175.510 0.102 0.000 1.028 323 N CA 2.815 55.892 53.050 0.045 0.000 0.880 323 N CB -1.046 37.448 38.487 0.012 0.000 1.062 323 N HN 0.617 nan 8.380 nan 0.000 0.454 324 C N -0.475 118.856 119.300 0.052 0.000 2.376 324 C HA -0.131 4.326 4.460 -0.005 0.000 0.275 324 C C 2.833 177.856 174.990 0.055 0.000 1.200 324 C CA 1.823 60.867 59.018 0.044 0.000 1.756 324 C CB -1.661 26.096 27.740 0.028 0.000 2.050 324 C HN 0.594 nan 8.230 nan 0.000 0.460 325 S N -0.342 115.392 115.700 0.056 0.000 2.419 325 S HA -0.100 4.367 4.470 -0.005 0.000 0.233 325 S C 1.370 176.000 174.600 0.050 0.000 1.016 325 S CA 1.481 59.709 58.200 0.046 0.000 0.974 325 S CB -0.540 62.673 63.200 0.021 0.000 0.786 325 S HN 0.748 nan 8.310 nan 0.000 0.492 326 F N 2.493 122.393 119.950 -0.084 0.000 2.098 326 F HA -0.073 4.451 4.527 -0.005 0.000 0.294 326 F C 2.326 178.089 175.800 -0.061 0.000 1.107 326 F CA 1.393 59.338 58.000 -0.092 0.000 1.234 326 F CB -0.680 38.253 39.000 -0.111 0.000 1.002 326 F HN 0.125 nan 8.300 nan 0.000 0.472 327 Q N 0.497 120.236 119.800 -0.103 0.000 2.061 327 Q HA -0.237 4.100 4.340 -0.005 0.000 0.204 327 Q C 2.477 178.365 176.000 -0.187 0.000 0.984 327 Q CA 1.990 57.663 55.803 -0.216 0.000 0.846 327 Q CB -0.629 28.071 28.738 -0.063 0.000 0.902 327 Q HN 0.508 nan 8.270 nan 0.000 0.421 328 L N -0.158 121.021 121.223 -0.074 0.000 1.990 328 L HA -0.267 4.070 4.340 -0.005 0.000 0.213 328 L C 2.491 179.264 176.870 -0.161 0.000 1.072 328 L CA 1.746 56.607 54.840 0.036 0.000 0.755 328 L CB -0.435 41.706 42.059 0.138 0.000 0.889 328 L HN 0.298 nan 8.230 nan 0.000 0.432 329 Y N 1.222 121.126 120.300 -0.660 0.000 2.114 329 Y HA -0.317 4.230 4.550 -0.005 0.000 0.282 329 Y C 2.327 177.722 175.900 -0.841 0.000 1.165 329 Y CA 2.197 59.515 58.100 -1.304 0.000 1.148 329 Y CB -0.611 37.375 38.460 -0.789 0.000 0.972 329 Y HN 0.309 nan 8.280 nan 0.000 0.504 330 N N 0.026 118.408 118.700 -0.530 0.000 2.519 330 N HA -0.134 4.603 4.740 -0.005 0.000 0.186 330 N C 1.164 176.576 175.510 -0.164 0.000 1.062 330 N CA 0.783 53.609 53.050 -0.373 0.000 0.910 330 N CB -0.185 38.066 38.487 -0.394 0.000 0.958 330 N HN 0.411 nan 8.380 nan 0.000 0.445 331 L N -0.418 120.771 121.223 -0.058 0.000 2.607 331 L HA 0.115 4.452 4.340 -0.005 0.000 0.228 331 L C 1.059 178.242 176.870 0.521 0.000 1.123 331 L CA -0.169 54.780 54.840 0.182 0.000 0.890 331 L CB -0.095 42.114 42.059 0.251 0.000 1.103 331 L HN 0.039 nan 8.230 nan 0.000 0.468 332 F N 1.203 121.173 119.950 0.034 0.000 2.146 332 F HA -0.006 4.518 4.527 -0.005 0.000 0.298 332 F C -0.085 175.831 175.800 0.193 0.000 1.096 332 F CA 0.292 58.336 58.000 0.073 0.000 1.275 332 F CB -2.168 36.677 39.000 -0.257 0.000 1.008 332 F HN 0.109 nan 8.300 nan 0.000 0.480 333 P HA -0.149 nan 4.420 nan 0.000 0.220 333 P C 1.201 178.530 177.300 0.050 0.000 1.148 333 P CA 1.520 64.704 63.100 0.140 0.000 0.803 333 P CB -0.194 31.526 31.700 0.033 0.000 0.782 334 Y N -0.989 119.398 120.300 0.145 0.000 2.231 334 Y HA 0.002 4.549 4.550 -0.005 0.000 0.294 334 Y C 2.198 178.275 175.900 0.295 0.000 1.120 334 Y CA 0.319 58.553 58.100 0.224 0.000 1.141 334 Y CB -1.507 37.133 38.460 0.299 0.000 1.022 334 Y HN -0.175 nan 8.280 nan 0.000 0.523 335 L N 0.295 121.781 121.223 0.438 0.000 2.129 335 L HA -0.205 4.132 4.340 -0.005 0.000 0.212 335 L C 1.745 178.667 176.870 0.087 0.000 1.087 335 L CA 1.716 56.697 54.840 0.235 0.000 0.757 335 L CB -0.717 41.335 42.059 -0.011 0.000 0.896 335 L HN 0.232 nan 8.230 nan 0.000 0.434 336 I N -0.890 119.711 120.570 0.052 0.000 2.270 336 I HA -0.167 4.000 4.170 -0.005 0.000 0.239 336 I C 2.540 178.609 176.117 -0.081 0.000 1.080 336 I CA 0.978 62.237 61.300 -0.068 0.000 1.383 336 I CB -0.436 37.513 38.000 -0.086 0.000 1.097 336 I HN 0.243 nan 8.210 nan 0.000 0.420 337 R N 1.131 121.551 120.500 -0.133 0.000 2.244 337 R HA -0.238 4.099 4.340 -0.005 0.000 0.252 337 R C 1.448 177.511 176.300 -0.395 0.000 1.177 337 R CA 2.023 57.939 56.100 -0.306 0.000 1.004 337 R CB -0.887 29.131 30.300 -0.471 0.000 0.873 337 R HN 0.469 nan 8.270 nan 0.000 0.469 338 Y N -1.724 118.570 120.300 -0.009 0.000 2.498 338 Y HA 0.194 4.741 4.550 -0.005 0.000 0.259 338 Y C 1.569 177.481 175.900 0.019 0.000 1.086 338 Y CA 0.071 58.181 58.100 0.017 0.000 1.287 338 Y CB 0.103 38.594 38.460 0.052 0.000 1.146 338 Y HN 0.051 nan 8.280 nan 0.000 0.523 339 L N 0.309 121.597 121.223 0.109 0.000 2.109 339 L HA -0.086 4.251 4.340 -0.005 0.000 0.207 339 L C 1.863 178.743 176.870 0.017 0.000 1.086 339 L CA 1.827 56.691 54.840 0.038 0.000 0.760 339 L CB -0.518 41.467 42.059 -0.123 0.000 0.910 339 L HN 0.130 nan 8.230 nan 0.000 0.437 340 S N -1.697 113.987 115.700 -0.028 0.000 2.677 340 S HA 0.136 4.603 4.470 -0.005 0.000 0.246 340 S C 0.285 174.876 174.600 -0.016 0.000 1.005 340 S CA -0.679 57.498 58.200 -0.039 0.000 1.062 340 S CB -0.925 62.226 63.200 -0.081 0.000 0.778 340 S HN 0.435 nan 8.310 nan 0.000 0.461 341 D N 1.198 121.619 120.400 0.035 0.000 2.313 341 D HA 0.197 4.835 4.640 -0.005 0.000 0.247 341 D C 0.658 177.003 176.300 0.075 0.000 1.094 341 D CA -0.321 53.712 54.000 0.055 0.000 0.925 341 D CB 0.869 41.744 40.800 0.124 0.000 1.188 341 D HN 0.019 nan 8.370 nan 0.000 0.430 342 D N 0.712 121.154 120.400 0.070 0.000 2.178 342 D HA -0.169 4.468 4.640 -0.005 0.000 0.202 342 D C 0.147 176.542 176.300 0.158 0.000 0.974 342 D CA 0.827 54.870 54.000 0.073 0.000 0.841 342 D CB 0.012 40.828 40.800 0.026 0.000 0.953 342 D HN 0.373 nan 8.370 nan 0.000 0.478 343 Y N 2.646 122.962 120.300 0.027 0.000 2.365 343 Y HA 0.051 4.598 4.550 -0.005 0.000 0.340 343 Y C 0.813 176.731 175.900 0.029 0.000 1.016 343 Y CA -1.269 56.847 58.100 0.027 0.000 1.196 343 Y CB 0.891 39.366 38.460 0.025 0.000 1.167 343 Y HN -0.242 nan 8.280 nan 0.000 0.509 344 D N 2.944 123.440 120.400 0.160 0.000 2.158 344 D HA -0.201 4.436 4.640 -0.005 0.000 0.197 344 D C 1.731 177.909 176.300 -0.204 0.000 0.995 344 D CA 1.514 55.507 54.000 -0.012 0.000 0.846 344 D CB 0.221 41.028 40.800 0.012 0.000 0.941 344 D HN 0.668 nan 8.370 nan 0.000 0.456 345 E N -0.305 119.600 120.200 -0.492 0.000 2.077 345 E HA -0.108 4.239 4.350 -0.005 0.000 0.193 345 E C 1.932 178.354 176.600 -0.296 0.000 0.989 345 E CA 1.332 57.427 56.400 -0.508 0.000 0.800 345 E CB -0.266 28.940 29.700 -0.823 0.000 0.746 345 E HN 0.213 nan 8.360 nan 0.000 0.452 346 T N -0.792 113.657 114.554 -0.174 0.000 2.777 346 T HA -0.162 4.185 4.350 -0.005 0.000 0.266 346 T C 2.003 176.724 174.700 0.035 0.000 1.040 346 T CA 1.367 63.466 62.100 -0.002 0.000 1.141 346 T CB -0.549 68.412 68.868 0.155 0.000 0.868 346 T HN 0.121 nan 8.240 nan 0.000 0.444 347 S N 1.381 117.112 115.700 0.052 0.000 2.356 347 S HA -0.165 4.302 4.470 -0.005 0.000 0.223 347 S C 2.280 176.915 174.600 0.059 0.000 1.032 347 S CA 2.067 60.352 58.200 0.142 0.000 1.005 347 S CB -0.857 62.458 63.200 0.192 0.000 0.867 347 S HN 0.745 nan 8.310 nan 0.000 0.449 348 T N 0.351 114.702 114.554 -0.340 0.000 3.007 348 T HA 0.164 4.511 4.350 -0.005 0.000 0.270 348 T C 1.810 176.316 174.700 -0.323 0.000 1.107 348 T CA 0.992 62.588 62.100 -0.840 0.000 1.118 348 T CB -0.603 67.806 68.868 -0.764 0.000 0.889 348 T HN 0.447 nan 8.240 nan 0.000 0.506 349 A N 0.967 123.706 122.820 -0.135 0.000 2.121 349 A HA 0.169 4.486 4.320 -0.005 0.000 0.218 349 A C 2.218 179.833 177.584 0.052 0.000 1.154 349 A CA 0.940 52.942 52.037 -0.058 0.000 0.679 349 A CB -0.448 18.503 19.000 -0.082 0.000 0.795 349 A HN 0.465 nan 8.150 nan 0.000 0.458 350 V N -1.610 118.398 119.914 0.158 0.000 3.528 350 V HA 0.078 4.195 4.120 -0.005 0.000 0.294 350 V C 1.588 177.890 176.094 0.347 0.000 1.404 350 V CA -0.078 62.370 62.300 0.246 0.000 1.065 350 V CB -0.746 31.205 31.823 0.214 0.000 0.904 350 V HN 0.431 nan 8.190 nan 0.000 0.435 351 F N 1.262 121.250 119.950 0.065 0.000 2.120 351 F HA -0.062 4.462 4.527 -0.005 0.000 0.300 351 F C 0.166 176.102 175.800 0.226 0.000 1.095 351 F CA 1.251 59.337 58.000 0.144 0.000 1.249 351 F CB -2.222 36.918 39.000 0.235 0.000 0.995 351 F HN 0.298 nan 8.300 nan 0.000 0.480 352 P HA -0.250 nan 4.420 nan 0.000 0.210 352 P C 1.896 179.386 177.300 0.317 0.000 1.185 352 P CA 1.497 64.772 63.100 0.290 0.000 0.924 352 P CB -0.352 31.477 31.700 0.214 0.000 0.786 353 F N 0.661 120.685 119.950 0.123 0.000 2.063 353 F HA -0.237 4.287 4.527 -0.005 0.000 0.298 353 F C 2.023 177.874 175.800 0.085 0.000 1.105 353 F CA 1.427 59.481 58.000 0.090 0.000 1.215 353 F CB -1.542 37.502 39.000 0.073 0.000 0.972 353 F HN -0.214 nan 8.300 nan 0.000 0.483 354 L N 0.094 121.274 121.223 -0.071 0.000 2.013 354 L HA -0.219 4.118 4.340 -0.005 0.000 0.212 354 L C 2.717 179.612 176.870 0.042 0.000 1.073 354 L CA 2.474 57.148 54.840 -0.277 0.000 0.753 354 L CB -1.535 40.225 42.059 -0.498 0.000 0.890 354 L HN 0.332 nan 8.230 nan 0.000 0.432 355 S N -0.911 114.971 115.700 0.304 0.000 2.348 355 S HA -0.221 4.246 4.470 -0.005 0.000 0.221 355 S C 1.669 176.368 174.600 0.166 0.000 1.033 355 S CA 1.623 60.005 58.200 0.305 0.000 1.010 355 S CB -0.496 62.847 63.200 0.239 0.000 0.891 355 S HN 0.641 nan 8.310 nan 0.000 0.442 356 D N 0.642 121.153 120.400 0.185 0.000 2.149 356 D HA -0.083 4.554 4.640 -0.005 0.000 0.198 356 D C 1.764 178.160 176.300 0.160 0.000 0.990 356 D CA 0.826 54.926 54.000 0.167 0.000 0.839 356 D CB -0.248 40.677 40.800 0.208 0.000 0.948 356 D HN 0.300 nan 8.370 nan 0.000 0.460 357 L N 0.012 121.336 121.223 0.168 0.000 2.044 357 L HA 0.009 4.346 4.340 -0.005 0.000 0.205 357 L C 1.868 178.781 176.870 0.072 0.000 1.075 357 L CA 1.349 56.260 54.840 0.119 0.000 0.747 357 L CB -0.390 41.666 42.059 -0.005 0.000 0.903 357 L HN 0.053 nan 8.230 nan 0.000 0.435 358 L N -1.423 119.833 121.223 0.055 0.000 2.191 358 L HA -0.179 4.158 4.340 -0.005 0.000 0.212 358 L C 2.317 179.216 176.870 0.049 0.000 1.103 358 L CA 0.557 55.430 54.840 0.054 0.000 0.769 358 L CB -0.549 41.553 42.059 0.072 0.000 0.908 358 L HN 0.146 nan 8.230 nan 0.000 0.438 359 V N -0.665 119.281 119.914 0.054 0.000 2.548 359 V HA -0.207 3.910 4.120 -0.005 0.000 0.249 359 V C 2.618 178.739 176.094 0.043 0.000 1.055 359 V CA 1.845 64.167 62.300 0.038 0.000 1.065 359 V CB -0.121 31.726 31.823 0.039 0.000 0.681 359 V HN 0.623 nan 8.190 nan 0.000 0.462 360 S N -0.471 115.267 115.700 0.063 0.000 2.436 360 S HA -0.048 4.419 4.470 -0.005 0.000 0.228 360 S C 1.838 176.475 174.600 0.061 0.000 1.014 360 S CA 0.825 59.064 58.200 0.065 0.000 0.950 360 S CB -0.227 63.026 63.200 0.088 0.000 0.784 360 S HN 0.349 nan 8.310 nan 0.000 0.504 361 L N 1.733 122.995 121.223 0.065 0.000 2.179 361 L HA 0.190 4.527 4.340 -0.005 0.000 0.208 361 L C 3.091 179.988 176.870 0.044 0.000 1.096 361 L CA 1.171 56.050 54.840 0.066 0.000 0.779 361 L CB -1.048 41.059 42.059 0.081 0.000 0.922 361 L HN 0.365 nan 8.230 nan 0.000 0.443 362 R N -0.278 120.240 120.500 0.030 0.000 2.092 362 R HA -0.092 4.245 4.340 -0.005 0.000 0.231 362 R C 2.275 178.582 176.300 0.011 0.000 1.119 362 R CA 1.424 57.531 56.100 0.011 0.000 0.970 362 R CB -0.449 29.849 30.300 -0.004 0.000 0.864 362 R HN 0.471 nan 8.270 nan 0.000 0.440 363 K N -0.347 120.064 120.400 0.019 0.000 2.103 363 K HA -0.043 4.274 4.320 -0.005 0.000 0.204 363 K C 2.607 179.218 176.600 0.019 0.000 1.052 363 K CA 1.620 57.916 56.287 0.016 0.000 0.945 363 K CB -0.120 32.392 32.500 0.021 0.000 0.722 363 K HN 0.604 nan 8.250 nan 0.000 0.443 364 E N 1.198 121.414 120.200 0.028 0.000 2.358 364 E HA -0.064 4.283 4.350 -0.005 0.000 0.195 364 E C 1.284 177.899 176.600 0.025 0.000 1.010 364 E CA 0.934 57.351 56.400 0.029 0.000 0.856 364 E CB -0.371 29.354 29.700 0.041 0.000 0.795 364 E HN 0.353 nan 8.360 nan 0.000 0.504 365 S N 0.507 116.221 115.700 0.023 0.000 3.593 365 S HA 0.176 4.643 4.470 -0.005 0.000 0.224 365 S C 1.134 175.740 174.600 0.010 0.000 1.333 365 S CA 0.318 58.529 58.200 0.019 0.000 1.164 365 S CB -0.138 63.072 63.200 0.016 0.000 1.281 365 S HN 0.243 nan 8.310 nan 0.000 0.457 366 S N 1.640 117.346 115.700 0.010 0.000 2.436 366 S HA -0.041 4.426 4.470 -0.005 0.000 0.228 366 S C 2.004 176.607 174.600 0.004 0.000 1.014 366 S CA 0.950 59.153 58.200 0.006 0.000 0.950 366 S CB -0.126 63.077 63.200 0.006 0.000 0.784 366 S HN 0.925 nan 8.310 nan 0.000 0.504 367 S N -0.040 115.664 115.700 0.007 0.000 2.526 367 S HA 0.321 4.788 4.470 -0.005 0.000 0.220 367 S C 0.743 175.348 174.600 0.008 0.000 1.017 367 S CA -0.173 58.030 58.200 0.006 0.000 0.930 367 S CB 0.005 63.209 63.200 0.007 0.000 0.856 367 S HN 0.176 nan 8.310 nan 0.000 0.497 368 K N 1.455 121.862 120.400 0.011 0.000 3.160 368 K HA -0.165 4.152 4.320 -0.005 0.000 0.280 368 K C -1.312 175.300 176.600 0.019 0.000 1.154 368 K CA 0.682 56.977 56.287 0.014 0.000 0.822 368 K CB -1.816 30.689 32.500 0.008 0.000 1.239 368 K HN 0.777 nan 8.250 nan 0.000 0.489 369 E N 0.996 121.208 120.200 0.020 0.000 2.152 369 E HA 0.241 4.588 4.350 -0.005 0.000 0.285 369 E C 0.022 176.641 176.600 0.031 0.000 1.043 369 E CA -0.342 56.071 56.400 0.022 0.000 0.839 369 E CB 0.756 30.465 29.700 0.016 0.000 1.069 369 E HN 0.180 nan 8.360 nan 0.000 0.399 370 L N 3.061 124.307 121.223 0.037 0.000 2.282 370 L HA 0.259 4.596 4.340 -0.005 0.000 0.288 370 L C 0.434 177.334 176.870 0.051 0.000 1.033 370 L CA -0.662 54.209 54.840 0.051 0.000 0.807 370 L CB 1.403 43.497 42.059 0.059 0.000 1.209 370 L HN 0.541 nan 8.230 nan 0.000 0.423 371 S N 1.601 117.336 115.700 0.057 0.000 2.601 371 S HA 0.345 4.812 4.470 -0.005 0.000 0.271 371 S C 1.053 175.698 174.600 0.074 0.000 1.305 371 S CA -0.229 58.002 58.200 0.052 0.000 1.022 371 S CB 1.787 65.009 63.200 0.037 0.000 0.940 371 S HN 0.698 nan 8.310 nan 0.000 0.525 372 A N 1.700 124.560 122.820 0.067 0.000 2.125 372 A HA -0.038 4.279 4.320 -0.005 0.000 0.219 372 A C 2.252 179.905 177.584 0.114 0.000 1.156 372 A CA 1.544 53.629 52.037 0.080 0.000 0.671 372 A CB -1.262 17.777 19.000 0.065 0.000 0.794 372 A HN 1.141 nan 8.150 nan 0.000 0.459 373 S N -0.807 114.973 115.700 0.132 0.000 2.406 373 S HA -0.016 4.451 4.470 -0.005 0.000 0.224 373 S C 1.790 176.553 174.600 0.272 0.000 1.030 373 S CA 0.939 59.264 58.200 0.208 0.000 0.958 373 S CB -0.527 62.803 63.200 0.216 0.000 0.811 373 S HN 0.372 nan 8.310 nan 0.000 0.489 374 L N 2.284 123.642 121.223 0.226 0.000 2.017 374 L HA -0.003 4.334 4.340 -0.005 0.000 0.208 374 L C 2.548 179.564 176.870 0.243 0.000 1.073 374 L CA 1.805 56.806 54.840 0.269 0.000 0.745 374 L CB -1.021 41.148 42.059 0.184 0.000 0.894 374 L HN 0.203 nan 8.230 nan 0.000 0.432 375 K N -0.563 119.932 120.400 0.159 0.000 1.987 375 K HA -0.199 4.118 4.320 -0.005 0.000 0.216 375 K C 2.106 178.768 176.600 0.104 0.000 1.051 375 K CA 1.703 58.057 56.287 0.111 0.000 0.942 375 K CB -0.857 31.696 32.500 0.089 0.000 0.722 375 K HN 0.522 nan 8.250 nan 0.000 0.444 376 E N -0.726 119.551 120.200 0.129 0.000 2.130 376 E HA -0.166 4.181 4.350 -0.005 0.000 0.196 376 E C 1.879 178.552 176.600 0.122 0.000 0.998 376 E CA 1.389 57.856 56.400 0.112 0.000 0.806 376 E CB -0.332 29.446 29.700 0.130 0.000 0.738 376 E HN 0.427 nan 8.360 nan 0.000 0.459 377 F N 1.305 121.288 119.950 0.054 0.000 2.060 377 F HA -0.135 4.389 4.527 -0.005 0.000 0.295 377 F C 2.229 177.992 175.800 -0.063 0.000 1.120 377 F CA 1.163 59.181 58.000 0.030 0.000 1.205 377 F CB -0.507 38.571 39.000 0.131 0.000 0.986 377 F HN -0.093 nan 8.300 nan 0.000 0.470 378 L N 0.063 121.198 121.223 -0.146 0.000 2.187 378 L HA -0.235 4.102 4.340 -0.005 0.000 0.213 378 L C 2.360 179.024 176.870 -0.344 0.000 1.100 378 L CA 1.393 56.055 54.840 -0.296 0.000 0.765 378 L CB -0.608 41.407 42.059 -0.072 0.000 0.904 378 L HN 0.201 nan 8.230 nan 0.000 0.437 379 K N -0.514 119.725 120.400 -0.269 0.000 2.007 379 K HA -0.075 4.242 4.320 -0.005 0.000 0.206 379 K C 2.273 178.632 176.600 -0.401 0.000 1.047 379 K CA 1.430 57.488 56.287 -0.380 0.000 0.937 379 K CB -0.159 32.229 32.500 -0.186 0.000 0.718 379 K HN 0.105 nan 8.250 nan 0.000 0.438 380 S N 1.662 117.193 115.700 -0.281 0.000 2.380 380 S HA -0.186 4.281 4.470 -0.005 0.000 0.229 380 S C 1.855 176.240 174.600 -0.359 0.000 1.043 380 S CA 1.241 59.288 58.200 -0.255 0.000 1.038 380 S CB -0.303 62.780 63.200 -0.194 0.000 0.872 380 S HN 0.114 nan 8.310 nan 0.000 0.456 381 L N 1.112 122.016 121.223 -0.531 0.000 2.046 381 L HA 0.030 4.367 4.340 -0.005 0.000 0.208 381 L C 2.071 178.707 176.870 -0.390 0.000 1.077 381 L CA 1.464 55.973 54.840 -0.551 0.000 0.747 381 L CB -0.707 40.908 42.059 -0.740 0.000 0.896 381 L HN 0.306 nan 8.230 nan 0.000 0.432 382 L N -1.413 119.569 121.223 -0.401 0.000 2.072 382 L HA -0.177 4.160 4.340 -0.005 0.000 0.205 382 L C 2.433 179.183 176.870 -0.201 0.000 1.079 382 L CA 0.910 55.557 54.840 -0.322 0.000 0.752 382 L CB -0.471 41.249 42.059 -0.564 0.000 0.906 382 L HN 0.288 nan 8.230 nan 0.000 0.436 383 E N 0.154 120.216 120.200 -0.231 0.000 2.108 383 E HA -0.326 4.021 4.350 -0.005 0.000 0.203 383 E C 2.194 178.753 176.600 -0.067 0.000 1.022 383 E CA 1.600 57.979 56.400 -0.034 0.000 0.823 383 E CB -0.153 29.518 29.700 -0.047 0.000 0.744 383 E HN 0.543 nan 8.360 nan 0.000 0.456 384 A N 1.017 123.754 122.820 -0.138 0.000 1.855 384 A HA -0.150 4.167 4.320 -0.005 0.000 0.215 384 A C 2.177 179.691 177.584 -0.117 0.000 1.191 384 A CA 1.112 53.069 52.037 -0.135 0.000 0.613 384 A CB -0.630 18.257 19.000 -0.188 0.000 0.829 384 A HN 0.160 nan 8.150 nan 0.000 0.442 385 I N -0.189 120.291 120.570 -0.150 0.000 2.264 385 I HA -0.289 3.878 4.170 -0.005 0.000 0.248 385 I C 2.298 178.430 176.117 0.026 0.000 1.111 385 I CA 1.234 62.475 61.300 -0.098 0.000 1.382 385 I CB -0.348 37.599 38.000 -0.087 0.000 1.060 385 I HN 0.345 nan 8.210 nan 0.000 0.418 386 I N 0.738 121.342 120.570 0.057 0.000 2.133 386 I HA -0.320 3.847 4.170 -0.005 0.000 0.238 386 I C 2.684 178.774 176.117 -0.046 0.000 1.074 386 I CA 1.419 62.795 61.300 0.127 0.000 1.342 386 I CB -0.452 37.648 38.000 0.166 0.000 1.053 386 I HN 0.187 nan 8.210 nan 0.000 0.404 387 K N 1.149 121.493 120.400 -0.093 0.000 2.144 387 K HA -0.253 4.064 4.320 -0.005 0.000 0.209 387 K C 1.959 178.518 176.600 -0.068 0.000 1.047 387 K CA 1.653 57.865 56.287 -0.126 0.000 0.927 387 K CB 0.008 32.456 32.500 -0.086 0.000 0.716 387 K HN 0.083 nan 8.250 nan 0.000 0.454 388 K N -0.020 120.374 120.400 -0.008 0.000 2.486 388 K HA 0.033 4.350 4.320 -0.005 0.000 0.194 388 K C 1.701 178.351 176.600 0.083 0.000 1.033 388 K CA 0.607 56.925 56.287 0.052 0.000 1.004 388 K CB 0.175 32.715 32.500 0.066 0.000 0.798 388 K HN 0.383 nan 8.250 nan 0.000 0.495 389 M N 0.115 119.772 119.600 0.096 0.000 2.492 389 M HA 0.025 4.502 4.480 -0.005 0.000 0.255 389 M C 0.144 176.577 176.300 0.220 0.000 1.139 389 M CA 0.369 55.755 55.300 0.144 0.000 1.096 389 M CB 0.287 33.085 32.600 0.330 0.000 1.360 389 M HN -0.154 nan 8.290 nan 0.000 0.480 390 K N 0.379 120.850 120.400 0.119 0.000 2.295 390 K HA 0.154 4.471 4.320 -0.005 0.000 0.270 390 K C -0.727 175.952 176.600 0.132 0.000 1.011 390 K CA -0.185 56.149 56.287 0.079 0.000 0.953 390 K CB 0.630 33.007 32.500 -0.206 0.000 0.956 390 K HN -0.095 nan 8.250 nan 0.000 0.477 391 Y N 1.574 121.857 120.300 -0.028 0.000 2.335 391 Y HA -0.099 4.448 4.550 -0.005 0.000 0.348 391 Y C 0.725 176.491 175.900 -0.224 0.000 1.280 391 Y CA 0.122 58.090 58.100 -0.221 0.000 1.504 391 Y CB 0.505 38.730 38.460 -0.391 0.000 1.366 391 Y HN 0.594 nan 8.280 nan 0.000 0.621 392 D N 1.224 121.619 120.400 -0.007 0.000 2.382 392 D HA 0.060 4.697 4.640 -0.005 0.000 0.259 392 D C 0.919 177.188 176.300 -0.052 0.000 1.224 392 D CA 0.589 54.581 54.000 -0.014 0.000 0.894 392 D CB 0.877 41.694 40.800 0.028 0.000 1.127 392 D HN 0.859 nan 8.370 nan 0.000 0.487 393 E N 1.833 121.977 120.200 -0.092 0.000 2.204 393 E HA -0.131 4.216 4.350 -0.005 0.000 0.195 393 E C 1.933 178.508 176.600 -0.043 0.000 0.990 393 E CA 1.586 57.915 56.400 -0.120 0.000 0.821 393 E CB -0.580 29.052 29.700 -0.115 0.000 0.750 393 E HN 0.674 nan 8.360 nan 0.000 0.477 394 S N -1.345 114.352 115.700 -0.006 0.000 2.554 394 S HA 0.527 4.994 4.470 -0.005 0.000 0.226 394 S C 1.063 175.699 174.600 0.061 0.000 0.980 394 S CA 0.859 59.074 58.200 0.023 0.000 0.939 394 S CB 0.206 63.410 63.200 0.007 0.000 0.832 394 S HN 0.842 nan 8.310 nan 0.000 0.486 395 Q N 1.155 121.010 119.800 0.091 0.000 2.274 395 Q HA 0.619 4.957 4.340 -0.005 0.000 0.268 395 Q C -0.486 175.673 176.000 0.264 0.000 1.015 395 Q CA -0.921 54.965 55.803 0.139 0.000 0.775 395 Q CB 0.006 28.806 28.738 0.104 0.000 1.256 395 Q HN 0.703 nan 8.270 nan 0.000 0.442 396 E N 1.553 121.919 120.200 0.276 0.000 2.605 396 E HA 0.574 4.921 4.350 -0.005 0.000 0.255 396 E C 0.457 177.291 176.600 0.391 0.000 1.369 396 E CA -0.393 56.231 56.400 0.373 0.000 1.017 396 E CB 0.684 30.509 29.700 0.208 0.000 1.086 396 E HN 0.832 nan 8.360 nan 0.000 0.605 397 W N -0.165 121.159 121.300 0.041 0.000 2.967 397 W HA 0.562 5.219 4.660 -0.005 0.000 0.342 397 W C -1.526 174.972 176.519 -0.036 0.000 1.162 397 W CA -0.905 56.455 57.345 0.026 0.000 1.085 397 W CB 0.688 30.123 29.460 -0.042 0.000 1.460 397 W HN 0.350 nan 8.180 nan 0.000 0.584 398 D N -0.451 119.462 120.400 -0.811 0.000 2.490 398 D HA 0.318 4.955 4.640 -0.005 0.000 0.232 398 D C 0.707 176.185 176.300 -1.369 0.000 1.053 398 D CA 0.078 53.512 54.000 -0.943 0.000 0.914 398 D CB 1.490 42.042 40.800 -0.412 0.000 1.431 398 D HN 0.566 nan 8.370 nan 0.000 0.483 399 D N -0.274 119.571 120.400 -0.925 0.000 2.347 399 D HA -0.098 4.540 4.640 -0.005 0.000 0.215 399 D C 0.590 176.670 176.300 -0.366 0.000 0.976 399 D CA 0.191 53.797 54.000 -0.657 0.000 0.884 399 D CB -0.064 40.521 40.800 -0.359 0.000 0.915 399 D HN 0.242 nan 8.370 nan 0.000 0.526 400 D N 0.416 120.626 120.400 -0.317 0.000 2.581 400 D HA -0.023 4.614 4.640 -0.005 0.000 0.238 400 D C -1.118 175.117 176.300 -0.109 0.000 1.145 400 D CA -1.208 52.691 54.000 -0.169 0.000 0.866 400 D CB 1.775 42.491 40.800 -0.139 0.000 1.151 400 D HN 0.215 nan 8.370 nan 0.000 0.500 401 P HA 0.111 nan 4.420 nan 0.000 0.252 401 P C 0.420 177.728 177.300 0.013 0.000 1.211 401 P CA 0.546 63.644 63.100 -0.003 0.000 0.824 401 P CB 0.625 32.324 31.700 -0.001 0.000 1.077 402 D N 0.135 120.535 120.400 0.000 0.000 2.482 402 D HA 0.040 4.677 4.640 -0.005 0.000 0.251 402 D C 1.671 177.977 176.300 0.010 0.000 1.073 402 D CA 0.865 54.871 54.000 0.010 0.000 0.892 402 D CB -0.109 40.694 40.800 0.005 0.000 1.202 402 D HN 0.238 nan 8.370 nan 0.000 0.496 403 S N -1.042 114.658 115.700 0.001 0.000 2.666 403 S HA 0.312 4.779 4.470 -0.005 0.000 0.239 403 S C 0.332 174.936 174.600 0.007 0.000 1.031 403 S CA 0.038 58.240 58.200 0.004 0.000 1.015 403 S CB 0.613 63.811 63.200 -0.003 0.000 0.981 403 S HN 0.274 nan 8.310 nan 0.000 0.547 404 E N 2.902 123.105 120.200 0.005 0.000 2.374 404 E HA 0.159 4.506 4.350 -0.005 0.000 0.260 404 E C 0.999 177.629 176.600 0.050 0.000 1.101 404 E CA -0.198 56.209 56.400 0.012 0.000 0.907 404 E CB 0.731 30.422 29.700 -0.013 0.000 1.014 404 E HN 0.470 nan 8.360 nan 0.000 0.427 405 E N 2.825 123.062 120.200 0.062 0.000 2.516 405 E HA -0.143 4.204 4.350 -0.005 0.000 0.199 405 E C 0.676 177.361 176.600 0.141 0.000 1.069 405 E CA 0.401 56.853 56.400 0.087 0.000 0.876 405 E CB 0.021 29.769 29.700 0.080 0.000 0.843 405 E HN 0.513 nan 8.360 nan 0.000 0.530 406 E N 1.539 121.837 120.200 0.164 0.000 2.070 406 E HA -0.262 4.085 4.350 -0.005 0.000 0.197 406 E C 2.224 178.981 176.600 0.261 0.000 1.004 406 E CA 1.457 58.016 56.400 0.266 0.000 0.805 406 E CB -0.232 29.647 29.700 0.299 0.000 0.744 406 E HN 0.450 nan 8.360 nan 0.000 0.451 407 A N 2.157 125.080 122.820 0.172 0.000 1.927 407 A HA -0.296 4.021 4.320 -0.005 0.000 0.220 407 A C 2.116 179.769 177.584 0.116 0.000 1.185 407 A CA 2.274 54.390 52.037 0.131 0.000 0.639 407 A CB -0.767 18.287 19.000 0.089 0.000 0.820 407 A HN 0.507 nan 8.150 nan 0.000 0.451 408 E N -1.754 118.515 120.200 0.115 0.000 2.152 408 E HA -0.179 4.168 4.350 -0.005 0.000 0.192 408 E C 1.876 178.544 176.600 0.113 0.000 0.983 408 E CA 1.237 57.689 56.400 0.086 0.000 0.818 408 E CB -0.491 29.249 29.700 0.067 0.000 0.758 408 E HN 0.597 nan 8.360 nan 0.000 0.467 409 F N 2.343 122.298 119.950 0.008 0.000 2.113 409 F HA -0.114 4.410 4.527 -0.005 0.000 0.297 409 F C 2.309 178.092 175.800 -0.028 0.000 1.103 409 F CA 1.535 59.518 58.000 -0.028 0.000 1.248 409 F CB -0.118 38.840 39.000 -0.071 0.000 0.999 409 F HN -0.111 nan 8.300 nan 0.000 0.475 410 Q N 0.593 120.400 119.800 0.012 0.000 2.291 410 Q HA -0.148 4.189 4.340 -0.005 0.000 0.206 410 Q C 2.349 178.293 176.000 -0.094 0.000 0.976 410 Q CA 1.643 57.387 55.803 -0.099 0.000 0.875 410 Q CB -0.880 27.908 28.738 0.084 0.000 0.927 410 Q HN 0.748 nan 8.270 nan 0.000 0.450 411 E N 0.278 120.457 120.200 -0.035 0.000 2.021 411 E HA -0.101 4.246 4.350 -0.005 0.000 0.189 411 E C 1.872 178.469 176.600 -0.007 0.000 0.980 411 E CA 0.923 57.321 56.400 -0.004 0.000 0.803 411 E CB -0.936 28.775 29.700 0.017 0.000 0.766 411 E HN 0.463 nan 8.360 nan 0.000 0.449 412 M N -0.130 119.457 119.600 -0.021 0.000 2.426 412 M HA -0.139 4.338 4.480 -0.005 0.000 0.261 412 M C 2.546 178.867 176.300 0.035 0.000 1.068 412 M CA 1.616 56.957 55.300 0.070 0.000 1.066 412 M CB -0.184 32.434 32.600 0.030 0.000 1.399 412 M HN 0.172 nan 8.290 nan 0.000 0.449 413 R N -0.798 119.597 120.500 -0.175 0.000 2.075 413 R HA -0.101 4.236 4.340 -0.005 0.000 0.220 413 R C 2.355 178.655 176.300 0.000 0.000 1.118 413 R CA 1.215 57.201 56.100 -0.191 0.000 0.986 413 R CB -0.133 29.892 30.300 -0.457 0.000 0.884 413 R HN 0.191 nan 8.270 nan 0.000 0.439 414 K N 1.272 121.673 120.400 0.002 0.000 2.152 414 K HA -0.151 4.166 4.320 -0.005 0.000 0.206 414 K C 1.695 178.298 176.600 0.005 0.000 1.048 414 K CA 1.560 57.867 56.287 0.034 0.000 0.933 414 K CB -0.069 32.446 32.500 0.027 0.000 0.721 414 K HN 0.280 nan 8.250 nan 0.000 0.447 415 K N -0.209 120.212 120.400 0.036 0.000 2.005 415 K HA 0.136 4.453 4.320 -0.005 0.000 0.206 415 K C 2.351 178.879 176.600 -0.120 0.000 1.044 415 K CA 1.434 57.690 56.287 -0.052 0.000 0.942 415 K CB -0.392 32.258 32.500 0.250 0.000 0.727 415 K HN 0.135 nan 8.250 nan 0.000 0.439 416 L N 1.855 123.197 121.223 0.199 0.000 2.021 416 L HA -0.309 4.028 4.340 -0.005 0.000 0.215 416 L C 2.700 179.709 176.870 0.232 0.000 1.074 416 L CA 1.661 56.712 54.840 0.352 0.000 0.760 416 L CB -0.507 41.671 42.059 0.198 0.000 0.889 416 L HN 0.259 nan 8.230 nan 0.000 0.433 417 K N 0.756 121.240 120.400 0.141 0.000 2.063 417 K HA -0.217 4.100 4.320 -0.005 0.000 0.208 417 K C 1.988 178.595 176.600 0.012 0.000 1.048 417 K CA 1.686 58.047 56.287 0.123 0.000 0.928 417 K CB -0.221 32.364 32.500 0.141 0.000 0.713 417 K HN 0.271 nan 8.250 nan 0.000 0.442 418 I N 0.346 120.847 120.570 -0.115 0.000 2.286 418 I HA -0.247 3.920 4.170 -0.005 0.000 0.248 418 I C 1.876 177.859 176.117 -0.223 0.000 1.115 418 I CA 1.256 62.422 61.300 -0.222 0.000 1.392 418 I CB -0.303 37.484 38.000 -0.355 0.000 1.065 418 I HN 0.134 nan 8.210 nan 0.000 0.418 419 F N 0.983 120.878 119.950 -0.092 0.000 2.102 419 F HA -0.243 4.281 4.527 -0.005 0.000 0.298 419 F C 2.769 178.516 175.800 -0.088 0.000 1.105 419 F CA 1.278 59.205 58.000 -0.121 0.000 1.239 419 F CB -0.591 38.299 39.000 -0.184 0.000 0.991 419 F HN 0.055 nan 8.300 nan 0.000 0.474 420 Q N 0.414 120.317 119.800 0.172 0.000 2.002 420 Q HA -0.238 4.099 4.340 -0.005 0.000 0.204 420 Q C 1.783 177.690 176.000 -0.155 0.000 0.988 420 Q CA 1.895 57.798 55.803 0.167 0.000 0.843 420 Q CB -0.534 28.405 28.738 0.335 0.000 0.908 420 Q HN 0.357 nan 8.270 nan 0.000 0.420 421 D N 0.259 120.551 120.400 -0.180 0.000 2.127 421 D HA -0.158 4.479 4.640 -0.005 0.000 0.190 421 D C 1.962 178.111 176.300 -0.252 0.000 1.000 421 D CA 1.910 55.739 54.000 -0.283 0.000 0.839 421 D CB -0.610 40.079 40.800 -0.186 0.000 0.955 421 D HN 0.198 nan 8.370 nan 0.000 0.446 422 T N 0.409 114.873 114.554 -0.150 0.000 2.803 422 T HA -0.105 4.242 4.350 -0.005 0.000 0.269 422 T C 2.096 176.738 174.700 -0.097 0.000 1.052 422 T CA 0.657 62.695 62.100 -0.104 0.000 1.136 422 T CB -0.172 68.664 68.868 -0.052 0.000 0.864 422 T HN 0.190 nan 8.240 nan 0.000 0.467 423 I N 0.980 121.489 120.570 -0.102 0.000 2.480 423 I HA -0.052 4.115 4.170 -0.005 0.000 0.251 423 I C 2.511 178.545 176.117 -0.138 0.000 1.124 423 I CA 0.785 62.047 61.300 -0.063 0.000 1.444 423 I CB -0.336 37.676 38.000 0.021 0.000 1.098 423 I HN 0.311 nan 8.210 nan 0.000 0.428 424 N N 0.102 118.551 118.700 -0.418 0.000 2.289 424 N HA -0.203 4.534 4.740 -0.005 0.000 0.184 424 N C 1.973 177.316 175.510 -0.278 0.000 1.016 424 N CA 1.029 53.735 53.050 -0.573 0.000 0.872 424 N CB 0.189 37.942 38.487 -1.223 0.000 0.973 424 N HN 0.169 nan 8.380 nan 0.000 0.433 425 S N 0.593 116.159 115.700 -0.223 0.000 2.345 425 S HA 0.025 4.492 4.470 -0.005 0.000 0.219 425 S C 1.944 176.495 174.600 -0.080 0.000 1.031 425 S CA 0.465 58.581 58.200 -0.140 0.000 0.984 425 S CB -0.224 62.903 63.200 -0.121 0.000 0.874 425 S HN 0.314 nan 8.310 nan 0.000 0.451 426 I N 0.853 121.389 120.570 -0.057 0.000 2.248 426 I HA -0.114 4.053 4.170 -0.005 0.000 0.248 426 I C 0.497 176.613 176.117 -0.003 0.000 1.107 426 I CA 1.276 62.566 61.300 -0.015 0.000 1.373 426 I CB -0.031 37.974 38.000 0.008 0.000 1.055 426 I HN 0.379 nan 8.210 nan 0.000 0.418 427 D N -0.864 119.533 120.400 -0.005 0.000 2.548 427 D HA 0.039 4.676 4.640 -0.005 0.000 0.214 427 D C 0.194 176.519 176.300 0.041 0.000 1.345 427 D CA -0.029 53.984 54.000 0.022 0.000 0.945 427 D CB 1.541 42.370 40.800 0.048 0.000 1.499 427 D HN -0.171 nan 8.370 nan 0.000 0.579 428 S N 2.124 117.838 115.700 0.023 0.000 2.414 428 S HA -0.115 4.352 4.470 -0.005 0.000 0.227 428 S C 1.889 176.562 174.600 0.120 0.000 1.022 428 S CA 1.904 60.132 58.200 0.047 0.000 0.958 428 S CB 0.126 63.317 63.200 -0.015 0.000 0.797 428 S HN 0.574 nan 8.310 nan 0.000 0.493 429 S N 2.226 117.979 115.700 0.087 0.000 2.343 429 S HA -0.112 4.355 4.470 -0.005 0.000 0.219 429 S C 1.857 176.536 174.600 0.131 0.000 1.033 429 S CA 1.323 59.576 58.200 0.089 0.000 1.014 429 S CB -1.161 62.073 63.200 0.058 0.000 0.915 429 S HN 0.432 nan 8.310 nan 0.000 0.435 430 L N 0.818 122.120 121.223 0.132 0.000 2.043 430 L HA -0.006 4.331 4.340 -0.005 0.000 0.212 430 L C 2.118 179.114 176.870 0.209 0.000 1.075 430 L CA 1.650 56.577 54.840 0.146 0.000 0.752 430 L CB -1.350 40.775 42.059 0.110 0.000 0.891 430 L HN 0.366 nan 8.230 nan 0.000 0.432 431 F N -0.377 119.623 119.950 0.083 0.000 2.051 431 F HA -0.198 4.326 4.527 -0.005 0.000 0.296 431 F C 2.610 178.536 175.800 0.209 0.000 1.122 431 F CA 1.898 59.971 58.000 0.122 0.000 1.201 431 F CB -0.728 38.314 39.000 0.070 0.000 0.978 431 F HN 0.088 nan 8.300 nan 0.000 0.472 432 S N 0.145 116.051 115.700 0.343 0.000 2.377 432 S HA -0.310 4.157 4.470 -0.005 0.000 0.224 432 S C 2.317 177.007 174.600 0.149 0.000 1.042 432 S CA 2.286 60.663 58.200 0.294 0.000 1.086 432 S CB -1.005 62.340 63.200 0.242 0.000 0.995 432 S HN 0.667 nan 8.310 nan 0.000 0.428 433 S N 0.656 116.429 115.700 0.122 0.000 2.368 433 S HA -0.268 4.199 4.470 -0.005 0.000 0.226 433 S C 1.737 176.389 174.600 0.086 0.000 1.044 433 S CA 1.840 60.097 58.200 0.096 0.000 1.062 433 S CB -1.136 62.120 63.200 0.092 0.000 0.931 433 S HN 0.543 nan 8.310 nan 0.000 0.440 434 Y N 1.636 121.919 120.300 -0.029 0.000 2.049 434 Y HA -0.091 4.457 4.550 -0.005 0.000 0.277 434 Y C 2.824 178.637 175.900 -0.146 0.000 1.143 434 Y CA 2.119 60.169 58.100 -0.083 0.000 1.115 434 Y CB -0.428 37.965 38.460 -0.111 0.000 0.975 434 Y HN 0.161 nan 8.280 nan 0.000 0.487 435 M N -1.128 118.391 119.600 -0.135 0.000 2.260 435 M HA -0.286 4.191 4.480 -0.005 0.000 0.261 435 M C 1.973 178.112 176.300 -0.268 0.000 1.066 435 M CA 1.592 56.727 55.300 -0.274 0.000 1.082 435 M CB -1.370 30.960 32.600 -0.450 0.000 1.388 435 M HN 0.528 nan 8.290 nan 0.000 0.419 436 Y N 0.391 120.500 120.300 -0.317 0.000 2.153 436 Y HA -0.139 4.408 4.550 -0.005 0.000 0.289 436 Y C 2.453 178.196 175.900 -0.262 0.000 1.127 436 Y CA 1.915 59.822 58.100 -0.320 0.000 1.131 436 Y CB -0.418 37.907 38.460 -0.225 0.000 0.995 436 Y HN 0.180 nan 8.280 nan 0.000 0.505 437 S N 0.951 116.512 115.700 -0.232 0.000 2.359 437 S HA -0.311 4.156 4.470 -0.005 0.000 0.222 437 S C 2.308 176.697 174.600 -0.351 0.000 1.038 437 S CA 1.520 59.525 58.200 -0.326 0.000 1.051 437 S CB -1.251 61.765 63.200 -0.305 0.000 0.944 437 S HN 0.673 nan 8.310 nan 0.000 0.433 438 A N 1.640 124.250 122.820 -0.349 0.000 1.894 438 A HA -0.219 4.098 4.320 -0.005 0.000 0.220 438 A C 2.126 179.657 177.584 -0.089 0.000 1.237 438 A CA 2.060 53.987 52.037 -0.182 0.000 0.660 438 A CB -1.053 17.900 19.000 -0.079 0.000 0.835 438 A HN 0.521 nan 8.150 nan 0.000 0.461 439 I N -1.184 119.253 120.570 -0.221 0.000 2.394 439 I HA -0.183 3.984 4.170 -0.005 0.000 0.251 439 I C 2.573 178.535 176.117 -0.257 0.000 1.136 439 I CA 1.546 62.700 61.300 -0.243 0.000 1.425 439 I CB -0.574 37.208 38.000 -0.363 0.000 1.079 439 I HN 0.312 nan 8.210 nan 0.000 0.425 440 T N 0.506 114.829 114.554 -0.386 0.000 2.668 440 T HA -0.143 4.204 4.350 -0.005 0.000 0.262 440 T C 2.113 176.677 174.700 -0.227 0.000 1.045 440 T CA 2.015 63.884 62.100 -0.385 0.000 1.152 440 T CB -0.170 68.350 68.868 -0.581 0.000 0.864 440 T HN 0.418 nan 8.240 nan 0.000 0.419 441 S N 2.464 118.045 115.700 -0.199 0.000 2.351 441 S HA -0.182 4.285 4.470 -0.005 0.000 0.220 441 S C 2.470 177.011 174.600 -0.098 0.000 1.035 441 S CA 1.627 59.745 58.200 -0.138 0.000 1.031 441 S CB -1.032 62.085 63.200 -0.137 0.000 0.928 441 S HN 0.696 nan 8.310 nan 0.000 0.433 442 S N 3.532 119.192 115.700 -0.066 0.000 2.380 442 S HA -0.193 4.274 4.470 -0.005 0.000 0.229 442 S C 1.872 176.450 174.600 -0.037 0.000 1.050 442 S CA 1.639 59.825 58.200 -0.023 0.000 1.100 442 S CB -1.281 61.990 63.200 0.118 0.000 0.984 442 S HN 0.428 nan 8.310 nan 0.000 0.434 443 L N 1.396 122.589 121.223 -0.049 0.000 1.990 443 L HA -0.164 4.173 4.340 -0.005 0.000 0.213 443 L C 3.039 179.877 176.870 -0.053 0.000 1.072 443 L CA 1.887 56.695 54.840 -0.054 0.000 0.755 443 L CB -1.106 40.906 42.059 -0.078 0.000 0.889 443 L HN 0.410 nan 8.230 nan 0.000 0.432 444 S N -0.715 114.943 115.700 -0.072 0.000 2.359 444 S HA -0.197 4.270 4.470 -0.005 0.000 0.224 444 S C 1.931 176.500 174.600 -0.052 0.000 1.035 444 S CA 1.991 60.153 58.200 -0.063 0.000 1.018 444 S CB -0.510 62.643 63.200 -0.077 0.000 0.876 444 S HN 0.483 nan 8.310 nan 0.000 0.448 445 T N 2.593 117.112 114.554 -0.058 0.000 2.746 445 T HA -0.059 4.288 4.350 -0.005 0.000 0.267 445 T C 2.166 176.840 174.700 -0.043 0.000 1.039 445 T CA 1.188 63.255 62.100 -0.054 0.000 1.142 445 T CB -0.641 68.186 68.868 -0.067 0.000 0.866 445 T HN 0.478 nan 8.240 nan 0.000 0.444 446 A N 1.737 124.534 122.820 -0.039 0.000 1.948 446 A HA -0.005 4.312 4.320 -0.005 0.000 0.220 446 A C 2.632 180.213 177.584 -0.004 0.000 1.177 446 A CA 1.958 53.984 52.037 -0.019 0.000 0.636 446 A CB -1.152 17.844 19.000 -0.007 0.000 0.815 446 A HN 0.551 nan 8.150 nan 0.000 0.449 447 A N -1.510 121.302 122.820 -0.013 0.000 2.125 447 A HA -0.027 4.290 4.320 -0.005 0.000 0.219 447 A C 2.029 179.605 177.584 -0.014 0.000 1.156 447 A CA 1.952 53.982 52.037 -0.011 0.000 0.671 447 A CB -0.874 18.114 19.000 -0.018 0.000 0.794 447 A HN 0.417 nan 8.150 nan 0.000 0.459 448 T N -0.225 114.317 114.554 -0.020 0.000 3.100 448 T HA 0.330 4.677 4.350 -0.005 0.000 0.253 448 T C 0.320 175.010 174.700 -0.016 0.000 1.118 448 T CA 0.344 62.431 62.100 -0.021 0.000 1.058 448 T CB -0.320 68.531 68.868 -0.029 0.000 0.953 448 T HN 0.290 nan 8.240 nan 0.000 0.515 449 L N 1.243 122.460 121.223 -0.010 0.000 2.333 449 L HA 0.508 4.845 4.340 -0.005 0.000 0.269 449 L C 0.513 177.388 176.870 0.009 0.000 1.010 449 L CA -1.162 53.677 54.840 -0.002 0.000 0.818 449 L CB 1.704 43.761 42.059 -0.004 0.000 1.306 449 L HN 0.019 nan 8.230 nan 0.000 0.430 450 S N 0.977 116.684 115.700 0.010 0.000 2.573 450 S HA 0.153 4.620 4.470 -0.005 0.000 0.277 450 S C -1.515 173.099 174.600 0.023 0.000 1.346 450 S CA -0.852 57.352 58.200 0.006 0.000 1.034 450 S CB 0.514 63.719 63.200 0.009 0.000 0.879 450 S HN 0.584 nan 8.310 nan 0.000 0.528 451 P HA -0.234 nan 4.420 nan 0.000 0.217 451 P C 1.283 178.633 177.300 0.084 0.000 1.148 451 P CA 1.632 64.681 63.100 -0.085 0.000 0.828 451 P CB 0.062 31.614 31.700 -0.246 0.000 0.783 452 E N 0.070 120.322 120.200 0.087 0.000 2.085 452 E HA -0.166 4.181 4.350 -0.005 0.000 0.194 452 E C 1.303 178.074 176.600 0.285 0.000 0.994 452 E CA 1.044 57.543 56.400 0.164 0.000 0.801 452 E CB -0.179 29.578 29.700 0.095 0.000 0.743 452 E HN 0.213 nan 8.360 nan 0.000 0.453 453 N N -0.220 118.593 118.700 0.187 0.000 2.236 453 N HA -0.018 4.719 4.740 -0.005 0.000 0.196 453 N C 1.219 176.756 175.510 0.044 0.000 1.114 453 N CA 0.673 53.802 53.050 0.132 0.000 0.859 453 N CB 1.015 39.533 38.487 0.052 0.000 0.982 453 N HN 0.135 nan 8.380 nan 0.000 0.493 454 S N -0.022 115.759 115.700 0.135 0.000 2.503 454 S HA -0.015 4.453 4.470 -0.005 0.000 0.217 454 S C 1.846 176.451 174.600 0.008 0.000 0.999 454 S CA -0.555 57.688 58.200 0.072 0.000 0.914 454 S CB -0.530 62.760 63.200 0.150 0.000 0.782 454 S HN 0.508 nan 8.310 nan 0.000 0.520 455 W N 2.447 123.739 121.300 -0.013 0.000 2.335 455 W HA -0.214 4.443 4.660 -0.005 0.000 0.311 455 W C 1.366 177.683 176.519 -0.338 0.000 1.213 455 W CA 1.442 58.589 57.345 -0.331 0.000 1.274 455 W CB -1.330 27.840 29.460 -0.483 0.000 1.148 455 W HN 0.311 nan 8.180 nan 0.000 0.498 456 Q N 1.023 119.864 119.800 -1.599 0.000 2.077 456 Q HA -0.212 4.125 4.340 -0.005 0.000 0.206 456 Q C 2.370 178.084 176.000 -0.476 0.000 0.989 456 Q CA 2.520 57.542 55.803 -1.302 0.000 0.853 456 Q CB -1.127 26.932 28.738 -1.132 0.000 0.907 456 Q HN 0.220 nan 8.270 nan 0.000 0.418 457 L N -0.015 120.991 121.223 -0.362 0.000 2.017 457 L HA -0.136 4.202 4.340 -0.005 0.000 0.208 457 L C 2.018 178.876 176.870 -0.019 0.000 1.073 457 L CA 1.628 56.380 54.840 -0.145 0.000 0.745 457 L CB -0.476 41.499 42.059 -0.140 0.000 0.894 457 L HN 0.287 nan 8.230 nan 0.000 0.432 458 I N -0.940 119.578 120.570 -0.087 0.000 2.226 458 I HA -0.247 3.920 4.170 -0.005 0.000 0.245 458 I C 2.497 178.598 176.117 -0.026 0.000 1.100 458 I CA 1.121 62.385 61.300 -0.060 0.000 1.374 458 I CB -0.385 37.534 38.000 -0.136 0.000 1.057 458 I HN 0.363 nan 8.210 nan 0.000 0.413 459 E N 1.208 121.373 120.200 -0.057 0.000 2.118 459 E HA -0.277 4.070 4.350 -0.005 0.000 0.195 459 E C 2.088 178.785 176.600 0.162 0.000 0.992 459 E CA 1.551 57.962 56.400 0.019 0.000 0.804 459 E CB -0.255 29.427 29.700 -0.029 0.000 0.741 459 E HN 0.439 nan 8.360 nan 0.000 0.458 460 F N 1.327 121.291 119.950 0.024 0.000 2.031 460 F HA -0.161 4.363 4.527 -0.005 0.000 0.295 460 F C 2.342 178.211 175.800 0.115 0.000 1.133 460 F CA 2.286 60.345 58.000 0.098 0.000 1.188 460 F CB -0.961 38.053 39.000 0.023 0.000 0.974 460 F HN 0.046 nan 8.300 nan 0.000 0.473 461 A N 0.887 123.675 122.820 -0.052 0.000 1.958 461 A HA -0.201 4.116 4.320 -0.005 0.000 0.221 461 A C 2.355 179.847 177.584 -0.153 0.000 1.178 461 A CA 2.148 54.057 52.037 -0.212 0.000 0.642 461 A CB -1.366 17.595 19.000 -0.066 0.000 0.816 461 A HN 0.579 nan 8.150 nan 0.000 0.453 462 L N -2.457 118.751 121.223 -0.024 0.000 2.156 462 L HA -0.125 4.212 4.340 -0.005 0.000 0.208 462 L C 2.567 179.497 176.870 0.100 0.000 1.095 462 L CA 1.434 56.298 54.840 0.040 0.000 0.770 462 L CB -0.585 41.519 42.059 0.076 0.000 0.914 462 L HN 0.613 nan 8.230 nan 0.000 0.439 463 Y N 1.288 121.575 120.300 -0.021 0.000 2.109 463 Y HA -0.210 4.337 4.550 -0.005 0.000 0.285 463 Y C 2.633 178.553 175.900 0.033 0.000 1.131 463 Y CA 1.443 59.571 58.100 0.047 0.000 1.121 463 Y CB -0.168 38.325 38.460 0.055 0.000 0.987 463 Y HN 0.057 nan 8.280 nan 0.000 0.495 464 E N -0.207 119.825 120.200 -0.280 0.000 2.114 464 E HA -0.232 4.115 4.350 -0.005 0.000 0.199 464 E C 2.162 178.642 176.600 -0.200 0.000 1.008 464 E CA 2.001 58.176 56.400 -0.374 0.000 0.810 464 E CB -0.743 28.611 29.700 -0.576 0.000 0.739 464 E HN 0.517 nan 8.360 nan 0.000 0.456 465 T N 0.674 115.125 114.554 -0.172 0.000 2.622 465 T HA -0.204 4.143 4.350 -0.005 0.000 0.266 465 T C 1.680 176.422 174.700 0.071 0.000 1.047 465 T CA 1.567 63.603 62.100 -0.107 0.000 1.159 465 T CB -0.599 68.198 68.868 -0.119 0.000 0.863 465 T HN 0.234 nan 8.240 nan 0.000 0.422 466 Y N 2.463 122.755 120.300 -0.013 0.000 2.069 466 Y HA -0.218 4.329 4.550 -0.005 0.000 0.278 466 Y C 2.100 178.054 175.900 0.089 0.000 1.175 466 Y CA 1.706 59.874 58.100 0.114 0.000 1.134 466 Y CB -0.573 37.924 38.460 0.063 0.000 0.965 466 Y HN 0.408 nan 8.280 nan 0.000 0.498 467 I N -3.123 117.381 120.570 -0.110 0.000 2.761 467 I HA -0.062 4.105 4.170 -0.005 0.000 0.261 467 I C 0.946 177.043 176.117 -0.033 0.000 1.198 467 I CA 0.422 61.607 61.300 -0.190 0.000 1.482 467 I CB -0.793 37.035 38.000 -0.285 0.000 1.100 467 I HN 0.127 nan 8.210 nan 0.000 0.445 468 F N 4.359 124.253 119.950 -0.094 0.000 2.650 468 F HA 0.436 4.960 4.527 -0.005 0.000 0.338 468 F C 1.030 176.820 175.800 -0.016 0.000 1.311 468 F CA 0.575 58.560 58.000 -0.024 0.000 1.106 468 F CB -0.577 38.386 39.000 -0.060 0.000 1.500 468 F HN 0.305 nan 8.300 nan 0.000 0.670 469 G N 3.659 112.334 108.800 -0.208 0.000 2.189 469 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.113 469 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.113 469 G C 0.579 175.431 174.900 -0.079 0.000 1.038 469 G CA -0.018 44.976 45.100 -0.176 0.000 0.704 469 G HN 0.616 nan 8.290 nan 0.000 0.490 470 E N 0.027 120.136 120.200 -0.151 0.000 2.516 470 E HA 0.164 4.511 4.350 -0.005 0.000 0.199 470 E C 1.841 178.335 176.600 -0.177 0.000 1.069 470 E CA 0.861 57.137 56.400 -0.207 0.000 0.876 470 E CB -0.216 29.359 29.700 -0.209 0.000 0.843 470 E HN 0.550 nan 8.360 nan 0.000 0.530 471 G N -0.101 108.604 108.800 -0.159 0.000 3.735 471 G HA2 0.359 4.316 3.960 -0.005 0.000 0.283 471 G HA3 0.359 4.316 3.960 -0.005 0.000 0.283 471 G C -0.124 174.705 174.900 -0.118 0.000 1.007 471 G CA 0.082 45.104 45.100 -0.131 0.000 0.821 471 G HN 0.188 nan 8.290 nan 0.000 0.505 472 L N -0.844 120.302 121.223 -0.129 0.000 2.334 472 L HA 0.956 5.293 4.340 -0.005 0.000 0.277 472 L C 1.114 177.954 176.870 -0.051 0.000 1.075 472 L CA -0.085 54.685 54.840 -0.116 0.000 0.804 472 L CB 0.480 42.420 42.059 -0.198 0.000 1.174 472 L HN 0.411 nan 8.230 nan 0.000 0.438 473 R N 2.108 122.607 120.500 -0.002 0.000 2.576 473 R HA 0.655 4.992 4.340 -0.005 0.000 0.237 473 R C 0.859 177.238 176.300 0.130 0.000 0.917 473 R CA 0.925 57.059 56.100 0.057 0.000 1.002 473 R CB -0.072 30.241 30.300 0.021 0.000 1.428 473 R HN 2.032 nan 8.270 nan 0.000 0.603 474 G N -0.289 108.588 108.800 0.128 0.000 2.788 474 G HA2 0.546 4.503 3.960 -0.005 0.000 0.293 474 G HA3 0.546 4.503 3.960 -0.005 0.000 0.293 474 G C -1.790 173.257 174.900 0.246 0.000 1.305 474 G CA -0.393 44.810 45.100 0.171 0.000 1.005 474 G HN -0.015 nan 8.290 nan 0.000 0.496 475 P HA -0.130 nan 4.420 nan 0.000 0.217 475 P C 1.227 178.585 177.300 0.096 0.000 1.148 475 P CA 2.149 65.373 63.100 0.206 0.000 0.834 475 P CB -0.267 31.572 31.700 0.232 0.000 0.783 476 D N -0.278 120.161 120.400 0.065 0.000 2.354 476 D HA -0.004 4.633 4.640 -0.005 0.000 0.216 476 D C 2.022 178.302 176.300 -0.033 0.000 0.970 476 D CA 1.238 55.244 54.000 0.010 0.000 0.905 476 D CB -0.529 40.272 40.800 0.001 0.000 0.903 476 D HN 0.352 nan 8.370 nan 0.000 0.508 477 A N -0.794 121.997 122.820 -0.049 0.000 1.911 477 A HA 0.372 4.689 4.320 -0.005 0.000 0.212 477 A C 1.818 179.208 177.584 -0.323 0.000 1.189 477 A CA 0.972 52.863 52.037 -0.242 0.000 0.639 477 A CB -0.158 18.584 19.000 -0.431 0.000 0.839 477 A HN 0.438 nan 8.150 nan 0.000 0.449 478 F N -1.000 118.869 119.950 -0.135 0.000 2.317 478 F HA 0.388 4.912 4.527 -0.005 0.000 0.290 478 F C 1.189 176.894 175.800 -0.157 0.000 1.075 478 F CA 0.869 58.789 58.000 -0.132 0.000 1.380 478 F CB -0.440 38.444 39.000 -0.194 0.000 1.093 478 F HN 0.159 nan 8.300 nan 0.000 0.524 479 F N -0.162 119.769 119.950 -0.031 0.000 2.603 479 F HA 0.678 5.202 4.527 -0.005 0.000 0.317 479 F C -0.230 175.549 175.800 -0.034 0.000 1.066 479 F CA -1.538 56.432 58.000 -0.050 0.000 0.941 479 F CB 0.423 39.367 39.000 -0.094 0.000 1.291 479 F HN -0.116 nan 8.300 nan 0.000 0.472 480 N N 0.842 119.532 118.700 -0.017 0.000 2.347 480 N HA 0.450 5.187 4.740 -0.005 0.000 0.253 480 N C 0.977 176.489 175.510 0.004 0.000 1.274 480 N CA 0.926 53.970 53.050 -0.009 0.000 0.941 480 N CB 1.572 40.054 38.487 -0.009 0.000 1.200 480 N HN 0.962 nan 8.380 nan 0.000 0.514 481 E N 0.229 120.434 120.200 0.009 0.000 2.140 481 E HA 0.161 4.508 4.350 -0.005 0.000 0.191 481 E C 1.766 178.377 176.600 0.018 0.000 0.973 481 E CA 1.340 57.752 56.400 0.020 0.000 0.829 481 E CB -1.218 28.494 29.700 0.019 0.000 0.781 481 E HN 0.581 nan 8.360 nan 0.000 0.466 482 V N 0.880 120.800 119.914 0.010 0.000 2.521 482 V HA 0.215 4.332 4.120 -0.005 0.000 0.239 482 V C 2.276 178.375 176.094 0.008 0.000 1.053 482 V CA 2.070 64.376 62.300 0.009 0.000 1.073 482 V CB -0.810 31.016 31.823 0.005 0.000 0.746 482 V HN 0.465 nan 8.190 nan 0.000 0.476 483 D N -0.287 120.116 120.400 0.005 0.000 2.149 483 D HA 0.180 4.817 4.640 -0.005 0.000 0.201 483 D C 1.778 178.082 176.300 0.007 0.000 0.972 483 D CA 3.332 57.334 54.000 0.004 0.000 0.835 483 D CB -0.252 40.548 40.800 -0.000 0.000 0.966 483 D HN 1.793 nan 8.370 nan 0.000 0.476 484 K N -0.735 119.670 120.400 0.009 0.000 3.470 484 K HA -0.096 4.221 4.320 -0.005 0.000 0.305 484 K C 0.994 177.599 176.600 0.008 0.000 1.363 484 K CA 1.552 57.846 56.287 0.013 0.000 0.927 484 K CB -3.078 29.435 32.500 0.021 0.000 1.355 484 K HN 1.829 nan 8.250 nan 0.000 0.466 485 S N 1.259 116.960 115.700 0.001 0.000 2.537 485 S HA 0.502 4.969 4.470 -0.005 0.000 0.286 485 S C -1.485 173.111 174.600 -0.006 0.000 1.299 485 S CA -0.354 57.844 58.200 -0.004 0.000 1.067 485 S CB 0.900 64.093 63.200 -0.012 0.000 0.864 485 S HN 0.646 nan 8.310 nan 0.000 0.494 486 P HA 0.198 nan 4.420 nan 0.000 0.285 486 P C 0.322 177.613 177.300 -0.016 0.000 1.259 486 P CA -0.355 62.752 63.100 0.011 0.000 0.794 486 P CB 0.852 32.581 31.700 0.047 0.000 0.940 487 T N -0.527 114.015 114.554 -0.019 0.000 2.802 487 T HA 0.048 4.395 4.350 -0.005 0.000 0.305 487 T C 1.632 176.305 174.700 -0.045 0.000 1.053 487 T CA -0.596 61.479 62.100 -0.042 0.000 1.058 487 T CB -0.116 68.715 68.868 -0.061 0.000 0.988 487 T HN 0.121 nan 8.240 nan 0.000 0.539 488 V N 2.036 121.921 119.914 -0.048 0.000 2.317 488 V HA -0.187 3.930 4.120 -0.005 0.000 0.251 488 V C 2.554 178.655 176.094 0.011 0.000 1.065 488 V CA 2.174 64.420 62.300 -0.089 0.000 1.049 488 V CB -1.267 30.553 31.823 -0.006 0.000 0.651 488 V HN 0.872 nan 8.190 nan 0.000 0.450 489 L N 1.384 122.710 121.223 0.172 0.000 1.991 489 L HA -0.277 4.060 4.340 -0.005 0.000 0.221 489 L C 2.679 179.466 176.870 -0.139 0.000 1.079 489 L CA 2.990 57.911 54.840 0.135 0.000 0.778 489 L CB -0.918 41.127 42.059 -0.023 0.000 0.893 489 L HN 0.540 nan 8.230 nan 0.000 0.437 490 S N -1.566 114.068 115.700 -0.110 0.000 2.402 490 S HA -0.215 4.252 4.470 -0.005 0.000 0.229 490 S C 1.822 176.371 174.600 -0.085 0.000 1.021 490 S CA 1.036 59.155 58.200 -0.134 0.000 0.974 490 S CB -0.784 62.548 63.200 0.220 0.000 0.800 490 S HN 0.715 nan 8.310 nan 0.000 0.484 491 Q N 0.862 120.648 119.800 -0.023 0.000 2.135 491 Q HA -0.031 4.306 4.340 -0.005 0.000 0.204 491 Q C 2.198 178.225 176.000 0.045 0.000 0.981 491 Q CA 1.592 57.413 55.803 0.031 0.000 0.856 491 Q CB -0.527 28.208 28.738 -0.005 0.000 0.902 491 Q HN 0.602 nan 8.270 nan 0.000 0.425 492 I N 0.625 121.185 120.570 -0.016 0.000 2.113 492 I HA -0.302 3.865 4.170 -0.005 0.000 0.238 492 I C 2.275 178.287 176.117 -0.174 0.000 1.070 492 I CA 1.141 62.380 61.300 -0.102 0.000 1.332 492 I CB -0.293 37.558 38.000 -0.249 0.000 1.044 492 I HN 0.200 nan 8.210 nan 0.000 0.402 493 L N 0.548 121.583 121.223 -0.314 0.000 2.081 493 L HA -0.271 4.066 4.340 -0.005 0.000 0.212 493 L C 2.804 179.534 176.870 -0.234 0.000 1.080 493 L CA 1.415 55.994 54.840 -0.435 0.000 0.754 493 L CB -0.758 40.707 42.059 -0.990 0.000 0.893 493 L HN 0.298 nan 8.230 nan 0.000 0.433 494 A N 0.152 122.901 122.820 -0.119 0.000 1.845 494 A HA -0.254 4.063 4.320 -0.005 0.000 0.215 494 A C 2.181 179.804 177.584 0.065 0.000 1.195 494 A CA 1.919 54.007 52.037 0.084 0.000 0.616 494 A CB -0.907 18.168 19.000 0.124 0.000 0.832 494 A HN 0.314 nan 8.150 nan 0.000 0.443 495 L N 0.217 121.454 121.223 0.023 0.000 1.978 495 L HA -0.190 4.147 4.340 -0.005 0.000 0.218 495 L C 2.381 179.260 176.870 0.015 0.000 1.075 495 L CA 2.509 57.353 54.840 0.008 0.000 0.767 495 L CB -0.985 41.052 42.059 -0.038 0.000 0.890 495 L HN 0.172 nan 8.230 nan 0.000 0.434 496 V N -0.393 119.519 119.914 -0.004 0.000 2.252 496 V HA -0.379 3.738 4.120 -0.005 0.000 0.249 496 V C 2.537 178.722 176.094 0.151 0.000 1.056 496 V CA 2.474 64.804 62.300 0.049 0.000 1.022 496 V CB -1.113 30.725 31.823 0.026 0.000 0.641 496 V HN 0.640 nan 8.190 nan 0.000 0.445 497 T N -0.694 113.959 114.554 0.164 0.000 2.803 497 T HA -0.179 4.168 4.350 -0.005 0.000 0.269 497 T C 1.664 176.483 174.700 0.197 0.000 1.052 497 T CA 2.018 64.269 62.100 0.252 0.000 1.136 497 T CB -0.293 68.766 68.868 0.319 0.000 0.864 497 T HN 0.579 nan 8.240 nan 0.000 0.467 498 T N 1.549 116.184 114.554 0.134 0.000 3.107 498 T HA 0.207 4.554 4.350 -0.005 0.000 0.249 498 T C 1.036 175.767 174.700 0.053 0.000 1.096 498 T CA -0.114 62.043 62.100 0.095 0.000 1.012 498 T CB 0.163 69.081 68.868 0.082 0.000 0.977 498 T HN 0.190 nan 8.240 nan 0.000 0.527 499 S N 2.350 118.074 115.700 0.039 0.000 2.661 499 S HA 0.154 4.621 4.470 -0.005 0.000 0.265 499 S C 1.058 175.639 174.600 -0.031 0.000 1.225 499 S CA -0.734 57.466 58.200 -0.001 0.000 0.986 499 S CB 0.538 63.729 63.200 -0.014 0.000 1.008 499 S HN 0.400 nan 8.310 nan 0.000 0.565 500 Q N 0.799 120.574 119.800 -0.041 0.000 2.286 500 Q HA 0.211 4.548 4.340 -0.005 0.000 0.281 500 Q C 0.612 176.560 176.000 -0.087 0.000 0.897 500 Q CA 0.030 55.801 55.803 -0.053 0.000 1.023 500 Q CB -0.729 27.994 28.738 -0.024 0.000 1.151 500 Q HN 0.375 nan 8.270 nan 0.000 0.445 501 V N 0.520 120.324 119.914 -0.184 0.000 2.515 501 V HA -0.272 3.846 4.120 -0.005 0.000 0.250 501 V C 2.469 178.297 176.094 -0.443 0.000 1.058 501 V CA 1.863 63.999 62.300 -0.274 0.000 1.064 501 V CB -0.829 30.773 31.823 -0.368 0.000 0.675 501 V HN 0.703 nan 8.190 nan 0.000 0.461 502 C N 0.474 119.392 119.300 -0.637 0.000 2.432 502 C HA -0.111 4.346 4.460 -0.005 0.000 0.277 502 C C 2.667 177.684 174.990 0.045 0.000 1.249 502 C CA 0.377 59.129 59.018 -0.444 0.000 1.725 502 C CB -1.459 26.055 27.740 -0.375 0.000 2.028 502 C HN 0.449 nan 8.230 nan 0.000 0.477 503 R N 0.119 120.612 120.500 -0.011 0.000 2.241 503 R HA -0.052 4.286 4.340 -0.005 0.000 0.224 503 R C 0.711 177.014 176.300 0.005 0.000 1.101 503 R CA 0.481 56.587 56.100 0.010 0.000 0.995 503 R CB -0.609 29.680 30.300 -0.018 0.000 0.870 503 R HN 0.717 nan 8.270 nan 0.000 0.463 504 H N 1.870 120.916 119.070 -0.041 0.000 2.964 504 H HA 0.003 4.556 4.556 -0.005 0.000 0.328 504 H C -1.305 174.026 175.328 0.005 0.000 1.030 504 H CA -1.080 54.962 56.048 -0.011 0.000 1.445 504 H CB 1.157 30.912 29.762 -0.011 0.000 1.449 504 H HN -0.092 nan 8.280 nan 0.000 0.581 505 P HA -0.075 nan 4.420 nan 0.000 0.235 505 P C -0.202 177.181 177.300 0.138 0.000 1.177 505 P CA 0.523 63.666 63.100 0.072 0.000 0.785 505 P CB 0.251 31.927 31.700 -0.040 0.000 0.885 506 H N 1.642 120.901 119.070 0.315 0.000 2.929 506 H HA 0.089 4.642 4.556 -0.005 0.000 0.317 506 H C -1.358 173.932 175.328 -0.063 0.000 1.031 506 H CA -0.946 55.114 56.048 0.020 0.000 1.466 506 H CB 0.730 30.434 29.762 -0.096 0.000 1.482 506 H HN -0.110 nan 8.280 nan 0.000 0.561 507 P HA -0.238 nan 4.420 nan 0.000 0.213 507 P C 1.575 178.851 177.300 -0.041 0.000 1.170 507 P CA 0.767 63.786 63.100 -0.135 0.000 0.902 507 P CB 0.187 31.805 31.700 -0.136 0.000 0.789 508 L N -0.757 120.433 121.223 -0.055 0.000 2.089 508 L HA -0.186 4.151 4.340 -0.005 0.000 0.213 508 L C 2.271 179.115 176.870 -0.042 0.000 1.079 508 L CA 1.864 56.611 54.840 -0.155 0.000 0.758 508 L CB -1.249 40.518 42.059 -0.487 0.000 0.891 508 L HN -0.145 nan 8.230 nan 0.000 0.433 509 V N -1.286 118.637 119.914 0.015 0.000 2.453 509 V HA -0.251 3.866 4.120 -0.005 0.000 0.247 509 V C 2.358 178.478 176.094 0.043 0.000 1.048 509 V CA 1.451 63.733 62.300 -0.030 0.000 1.049 509 V CB -0.514 31.205 31.823 -0.173 0.000 0.672 509 V HN 0.537 nan 8.190 nan 0.000 0.457 510 Q N -0.255 119.591 119.800 0.076 0.000 2.016 510 Q HA -0.133 4.204 4.340 -0.005 0.000 0.200 510 Q C 2.371 178.456 176.000 0.142 0.000 0.978 510 Q CA 1.537 57.432 55.803 0.153 0.000 0.833 510 Q CB -0.291 28.518 28.738 0.117 0.000 0.895 510 Q HN 0.481 nan 8.270 nan 0.000 0.427 511 L N 0.414 121.679 121.223 0.069 0.000 1.951 511 L HA -0.286 4.051 4.340 -0.005 0.000 0.222 511 L C 2.415 179.308 176.870 0.038 0.000 1.078 511 L CA 1.117 55.987 54.840 0.049 0.000 0.778 511 L CB -0.499 41.573 42.059 0.023 0.000 0.893 511 L HN 0.290 nan 8.230 nan 0.000 0.436 512 L N -0.868 120.364 121.223 0.014 0.000 1.991 512 L HA -0.348 3.989 4.340 -0.005 0.000 0.221 512 L C 2.345 179.242 176.870 0.044 0.000 1.079 512 L CA 2.093 56.923 54.840 -0.017 0.000 0.778 512 L CB -1.160 40.911 42.059 0.020 0.000 0.893 512 L HN 0.305 nan 8.230 nan 0.000 0.437 513 Y N -0.086 120.181 120.300 -0.055 0.000 2.014 513 Y HA -0.373 4.174 4.550 -0.005 0.000 0.272 513 Y C 2.608 178.457 175.900 -0.086 0.000 1.164 513 Y CA 2.615 60.660 58.100 -0.092 0.000 1.114 513 Y CB -0.509 37.837 38.460 -0.189 0.000 0.961 513 Y HN 0.270 nan 8.280 nan 0.000 0.489 514 M N -0.289 119.270 119.600 -0.068 0.000 2.346 514 M HA -0.211 4.266 4.480 -0.005 0.000 0.263 514 M C 1.811 178.156 176.300 0.074 0.000 1.064 514 M CA 1.615 56.824 55.300 -0.152 0.000 1.083 514 M CB -0.368 32.176 32.600 -0.094 0.000 1.399 514 M HN 0.325 nan 8.290 nan 0.000 0.435 515 E N 0.804 121.042 120.200 0.064 0.000 2.076 515 E HA -0.038 4.309 4.350 -0.005 0.000 0.190 515 E C 2.080 178.857 176.600 0.296 0.000 0.979 515 E CA 1.067 57.541 56.400 0.125 0.000 0.807 515 E CB -0.100 29.502 29.700 -0.163 0.000 0.761 515 E HN 0.585 nan 8.360 nan 0.000 0.454 516 I N 1.360 122.081 120.570 0.252 0.000 2.226 516 I HA -0.269 3.898 4.170 -0.005 0.000 0.245 516 I C 2.461 178.821 176.117 0.406 0.000 1.100 516 I CA 0.954 62.511 61.300 0.428 0.000 1.374 516 I CB -0.269 37.869 38.000 0.230 0.000 1.057 516 I HN 0.061 nan 8.210 nan 0.000 0.413 517 L N -0.160 121.175 121.223 0.187 0.000 2.191 517 L HA -0.170 4.167 4.340 -0.005 0.000 0.212 517 L C 2.348 179.572 176.870 0.590 0.000 1.103 517 L CA 0.851 55.885 54.840 0.324 0.000 0.769 517 L CB -0.369 41.636 42.059 -0.089 0.000 0.908 517 L HN 0.136 nan 8.230 nan 0.000 0.438 518 V N -0.872 119.317 119.914 0.459 0.000 2.575 518 V HA -0.105 4.012 4.120 -0.005 0.000 0.242 518 V C 2.513 178.769 176.094 0.271 0.000 1.045 518 V CA 0.964 63.505 62.300 0.402 0.000 1.065 518 V CB -0.274 31.721 31.823 0.287 0.000 0.717 518 V HN 0.365 nan 8.190 nan 0.000 0.467 519 R N -0.065 120.574 120.500 0.232 0.000 2.091 519 R HA -0.178 4.159 4.340 -0.005 0.000 0.238 519 R C 1.118 177.293 176.300 -0.209 0.000 1.136 519 R CA 1.951 58.014 56.100 -0.063 0.000 0.959 519 R CB -0.138 30.017 30.300 -0.243 0.000 0.856 519 R HN 0.573 nan 8.270 nan 0.000 0.437 520 Y N -0.466 119.999 120.300 0.275 0.000 2.801 520 Y HA 0.380 4.927 4.550 -0.005 0.000 0.318 520 Y C 1.264 177.405 175.900 0.403 0.000 1.073 520 Y CA -0.124 58.176 58.100 0.334 0.000 1.360 520 Y CB 0.355 38.978 38.460 0.271 0.000 1.220 520 Y HN 0.151 nan 8.280 nan 0.000 0.536 521 A N 0.289 123.394 122.820 0.476 0.000 1.908 521 A HA -0.240 4.077 4.320 -0.005 0.000 0.218 521 A C 2.393 180.162 177.584 0.309 0.000 1.181 521 A CA 2.075 54.415 52.037 0.504 0.000 0.627 521 A CB -0.898 18.210 19.000 0.179 0.000 0.818 521 A HN 0.524 nan 8.150 nan 0.000 0.445 522 S N -0.864 114.930 115.700 0.157 0.000 2.461 522 S HA -0.247 4.220 4.470 -0.005 0.000 0.246 522 S C 1.639 176.123 174.600 -0.195 0.000 1.007 522 S CA 1.510 59.709 58.200 -0.002 0.000 0.976 522 S CB -0.856 62.378 63.200 0.057 0.000 0.763 522 S HN 0.653 nan 8.310 nan 0.000 0.508 523 F N 2.253 121.961 119.950 -0.404 0.000 2.186 523 F HA 0.098 4.623 4.527 -0.005 0.000 0.299 523 F C 1.407 176.941 175.800 -0.442 0.000 1.090 523 F CA 0.709 58.296 58.000 -0.689 0.000 1.307 523 F CB -0.546 38.170 39.000 -0.473 0.000 1.019 523 F HN 0.171 nan 8.300 nan 0.000 0.489 524 F N 0.721 120.620 119.950 -0.085 0.000 2.722 524 F HA -0.089 4.435 4.527 -0.005 0.000 0.298 524 F C 1.605 177.242 175.800 -0.271 0.000 1.175 524 F CA 0.574 58.463 58.000 -0.184 0.000 1.462 524 F CB -0.650 38.367 39.000 0.029 0.000 1.111 524 F HN 0.012 nan 8.300 nan 0.000 0.592 525 D N -1.687 118.549 120.400 -0.274 0.000 2.348 525 D HA -0.060 4.577 4.640 -0.005 0.000 0.211 525 D C 1.432 177.382 176.300 -0.584 0.000 0.998 525 D CA 0.936 54.694 54.000 -0.403 0.000 0.873 525 D CB -0.058 40.441 40.800 -0.500 0.000 0.925 525 D HN 0.316 nan 8.370 nan 0.000 0.524 526 Y N 0.737 120.773 120.300 -0.441 0.000 2.500 526 Y HA 0.264 4.811 4.550 -0.005 0.000 0.284 526 Y C 0.679 176.344 175.900 -0.393 0.000 1.118 526 Y CA 0.127 57.986 58.100 -0.402 0.000 1.241 526 Y CB 0.741 38.924 38.460 -0.462 0.000 1.171 526 Y HN -0.216 nan 8.280 nan 0.000 0.540 527 E N 0.366 120.309 120.200 -0.428 0.000 2.593 527 E HA 0.147 4.494 4.350 -0.005 0.000 0.232 527 E C 0.323 176.872 176.600 -0.085 0.000 1.026 527 E CA -0.064 56.177 56.400 -0.266 0.000 0.772 527 E CB 1.147 30.658 29.700 -0.315 0.000 1.310 527 E HN 0.151 nan 8.360 nan 0.000 0.413 528 S N 1.707 117.396 115.700 -0.019 0.000 2.461 528 S HA -0.097 4.370 4.470 -0.005 0.000 0.228 528 S C 2.076 176.748 174.600 0.119 0.000 1.005 528 S CA 0.925 59.167 58.200 0.070 0.000 0.942 528 S CB 0.042 63.243 63.200 0.002 0.000 0.776 528 S HN 0.460 nan 8.310 nan 0.000 0.514 529 A N 2.234 125.115 122.820 0.101 0.000 1.923 529 A HA -0.135 4.182 4.320 -0.005 0.000 0.222 529 A C 2.549 180.215 177.584 0.137 0.000 1.258 529 A CA 2.458 54.560 52.037 0.107 0.000 0.670 529 A CB -1.772 17.289 19.000 0.101 0.000 0.834 529 A HN 1.220 nan 8.150 nan 0.000 0.470 530 A N -0.703 122.240 122.820 0.204 0.000 2.121 530 A HA 0.044 4.361 4.320 -0.005 0.000 0.218 530 A C 1.922 179.587 177.584 0.134 0.000 1.154 530 A CA 1.130 53.283 52.037 0.193 0.000 0.679 530 A CB -0.741 18.430 19.000 0.285 0.000 0.795 530 A HN 0.582 nan 8.150 nan 0.000 0.458 531 I N 0.756 121.401 120.570 0.125 0.000 2.103 531 I HA -0.315 3.852 4.170 -0.005 0.000 0.241 531 I C -0.040 176.150 176.117 0.121 0.000 1.036 531 I CA 2.395 63.754 61.300 0.098 0.000 1.300 531 I CB -1.443 36.600 38.000 0.072 0.000 1.010 531 I HN 0.302 nan 8.210 nan 0.000 0.406 532 P HA -0.198 nan 4.420 nan 0.000 0.215 532 P C 1.406 178.778 177.300 0.121 0.000 1.153 532 P CA 2.351 65.514 63.100 0.105 0.000 0.853 532 P CB -0.046 31.703 31.700 0.081 0.000 0.788 533 A N 0.149 123.039 122.820 0.117 0.000 1.930 533 A HA -0.100 4.217 4.320 -0.005 0.000 0.217 533 A C 2.462 180.139 177.584 0.156 0.000 1.175 533 A CA 1.243 53.356 52.037 0.125 0.000 0.627 533 A CB -1.546 17.523 19.000 0.116 0.000 0.815 533 A HN 0.134 nan 8.150 nan 0.000 0.443 534 L N -0.960 120.346 121.223 0.138 0.000 2.217 534 L HA -0.104 4.233 4.340 -0.005 0.000 0.211 534 L C 2.270 179.299 176.870 0.265 0.000 1.107 534 L CA 0.843 55.754 54.840 0.118 0.000 0.783 534 L CB -0.416 41.641 42.059 -0.004 0.000 0.919 534 L HN 0.359 nan 8.230 nan 0.000 0.442 535 I N 0.193 120.938 120.570 0.291 0.000 2.400 535 I HA -0.152 4.015 4.170 -0.005 0.000 0.248 535 I C 3.076 179.338 176.117 0.242 0.000 1.109 535 I CA 1.236 62.748 61.300 0.353 0.000 1.425 535 I CB -0.614 37.565 38.000 0.299 0.000 1.094 535 I HN 0.227 nan 8.210 nan 0.000 0.425 536 E N 0.384 120.689 120.200 0.175 0.000 2.209 536 E HA -0.306 4.041 4.350 -0.005 0.000 0.196 536 E C 1.956 178.606 176.600 0.084 0.000 0.993 536 E CA 1.544 58.009 56.400 0.108 0.000 0.819 536 E CB -1.198 28.560 29.700 0.096 0.000 0.745 536 E HN 0.688 nan 8.360 nan 0.000 0.477 537 Y N -0.845 119.464 120.300 0.014 0.000 2.153 537 Y HA 0.051 4.598 4.550 -0.005 0.000 0.289 537 Y C 2.142 177.960 175.900 -0.138 0.000 1.119 537 Y CA 1.759 59.819 58.100 -0.066 0.000 1.116 537 Y CB -0.230 38.178 38.460 -0.087 0.000 1.004 537 Y HN 0.228 nan 8.280 nan 0.000 0.501 538 F N -0.673 119.314 119.950 0.063 0.000 2.154 538 F HA -0.238 4.286 4.527 -0.005 0.000 0.301 538 F C 1.951 177.504 175.800 -0.412 0.000 1.087 538 F CA 1.462 59.387 58.000 -0.126 0.000 1.274 538 F CB -0.335 38.650 39.000 -0.026 0.000 1.009 538 F HN -0.140 nan 8.300 nan 0.000 0.485 539 V N -0.396 119.402 119.914 -0.193 0.000 3.620 539 V HA 0.158 4.275 4.120 -0.005 0.000 0.286 539 V C 1.313 177.304 176.094 -0.173 0.000 1.288 539 V CA 0.385 62.509 62.300 -0.294 0.000 1.178 539 V CB -1.100 30.621 31.823 -0.170 0.000 0.986 539 V HN 0.223 nan 8.190 nan 0.000 0.431 540 G N 1.340 110.004 108.800 -0.227 0.000 2.599 540 G HA2 0.277 4.234 3.960 -0.005 0.000 0.264 540 G HA3 0.277 4.234 3.960 -0.005 0.000 0.264 540 G C -1.165 173.649 174.900 -0.144 0.000 1.200 540 G CA -0.737 44.232 45.100 -0.218 0.000 0.896 540 G HN 0.249 nan 8.290 nan 0.000 0.536 541 P HA -0.009 nan 4.420 nan 0.000 0.242 541 P C 0.938 178.180 177.300 -0.096 0.000 1.197 541 P CA 0.602 63.690 63.100 -0.020 0.000 0.765 541 P CB 0.268 31.945 31.700 -0.038 0.000 0.936 542 R N -1.557 118.798 120.500 -0.241 0.000 2.307 542 R HA 0.296 4.633 4.340 -0.005 0.000 0.200 542 R C 1.939 178.027 176.300 -0.353 0.000 0.893 542 R CA 0.478 56.402 56.100 -0.293 0.000 1.042 542 R CB -0.632 29.442 30.300 -0.376 0.000 1.059 542 R HN 0.052 nan 8.270 nan 0.000 0.530 543 G N 2.081 110.624 108.800 -0.429 0.000 2.908 543 G HA2 0.046 4.003 3.960 -0.005 0.000 0.188 543 G HA3 0.046 4.003 3.960 -0.005 0.000 0.188 543 G C 1.173 175.991 174.900 -0.136 0.000 1.903 543 G CA -0.270 44.635 45.100 -0.326 0.000 0.883 543 G HN 0.041 nan 8.290 nan 0.000 0.515 544 I N 0.551 121.020 120.570 -0.168 0.000 2.614 544 I HA -0.043 4.124 4.170 -0.005 0.000 0.258 544 I C 1.579 177.683 176.117 -0.021 0.000 1.189 544 I CA 0.785 62.052 61.300 -0.055 0.000 1.462 544 I CB -0.167 37.616 38.000 -0.362 0.000 1.092 544 I HN 0.230 nan 8.210 nan 0.000 0.442 545 H N 0.207 119.301 119.070 0.040 0.000 2.549 545 H HA 0.210 4.763 4.556 -0.005 0.000 0.279 545 H C 0.289 175.611 175.328 -0.010 0.000 1.018 545 H CA -0.435 55.637 56.048 0.041 0.000 1.175 545 H CB -0.457 29.298 29.762 -0.012 0.000 1.485 545 H HN 0.375 nan 8.280 nan 0.000 0.543 546 N N 0.899 119.621 118.700 0.036 0.000 2.293 546 N HA -0.104 4.633 4.740 -0.005 0.000 0.253 546 N C 0.741 176.243 175.510 -0.014 0.000 1.248 546 N CA 0.237 53.271 53.050 -0.027 0.000 0.845 546 N CB 0.932 39.377 38.487 -0.070 0.000 1.073 546 N HN 0.032 nan 8.380 nan 0.000 0.464 547 T N 1.531 116.069 114.554 -0.026 0.000 2.985 547 T HA -0.097 4.250 4.350 -0.005 0.000 0.266 547 T C 0.737 175.411 174.700 -0.043 0.000 1.076 547 T CA 0.302 62.387 62.100 -0.026 0.000 1.135 547 T CB -0.197 68.652 68.868 -0.033 0.000 0.890 547 T HN 0.521 nan 8.240 nan 0.000 0.480 548 N N 2.200 120.867 118.700 -0.056 0.000 2.434 548 N HA 0.035 4.772 4.740 -0.005 0.000 0.268 548 N C 1.239 176.708 175.510 -0.068 0.000 1.256 548 N CA 0.646 53.661 53.050 -0.057 0.000 0.914 548 N CB 0.870 39.330 38.487 -0.046 0.000 1.088 548 N HN 0.509 nan 8.380 nan 0.000 0.478 549 E N 3.519 123.682 120.200 -0.062 0.000 2.331 549 E HA -0.229 4.119 4.350 -0.005 0.000 0.199 549 E C 1.945 178.499 176.600 -0.077 0.000 1.008 549 E CA 2.069 58.426 56.400 -0.070 0.000 0.843 549 E CB -0.648 29.021 29.700 -0.051 0.000 0.761 549 E HN 0.838 nan 8.360 nan 0.000 0.507 550 R N -0.222 120.248 120.500 -0.050 0.000 2.223 550 R HA 0.419 4.756 4.340 -0.005 0.000 0.198 550 R C 2.446 178.726 176.300 -0.033 0.000 0.984 550 R CA 1.092 57.178 56.100 -0.023 0.000 1.018 550 R CB -0.556 29.765 30.300 0.035 0.000 0.945 550 R HN 0.511 nan 8.270 nan 0.000 0.479 551 V N -0.587 119.292 119.914 -0.059 0.000 3.263 551 V HA 0.139 4.256 4.120 -0.005 0.000 0.248 551 V C 2.298 178.290 176.094 -0.169 0.000 1.145 551 V CA 0.547 62.806 62.300 -0.067 0.000 1.107 551 V CB -0.098 31.705 31.823 -0.034 0.000 0.797 551 V HN 0.432 nan 8.190 nan 0.000 0.467 552 R N 0.989 121.335 120.500 -0.256 0.000 2.112 552 R HA -0.181 4.156 4.340 -0.005 0.000 0.242 552 R C -0.177 175.521 176.300 -1.004 0.000 1.137 552 R CA 2.599 58.400 56.100 -0.498 0.000 0.944 552 R CB -1.294 28.738 30.300 -0.447 0.000 0.857 552 R HN 0.450 nan 8.270 nan 0.000 0.435 553 P HA -0.131 nan 4.420 nan 0.000 0.217 553 P C 0.692 177.863 177.300 -0.215 0.000 1.150 553 P CA 1.164 63.858 63.100 -0.677 0.000 0.832 553 P CB -0.012 31.505 31.700 -0.306 0.000 0.787 554 R N 0.657 121.089 120.500 -0.114 0.000 2.066 554 R HA -0.002 4.335 4.340 -0.005 0.000 0.232 554 R C 2.164 178.563 176.300 0.166 0.000 1.131 554 R CA 1.905 58.046 56.100 0.068 0.000 0.955 554 R CB -1.649 28.686 30.300 0.058 0.000 0.851 554 R HN 0.042 nan 8.270 nan 0.000 0.432 555 A N -0.189 122.675 122.820 0.072 0.000 1.948 555 A HA -0.179 4.138 4.320 -0.005 0.000 0.220 555 A C 1.825 179.671 177.584 0.437 0.000 1.177 555 A CA 1.580 53.749 52.037 0.220 0.000 0.636 555 A CB -0.996 18.067 19.000 0.106 0.000 0.815 555 A HN 0.497 nan 8.150 nan 0.000 0.449 556 W N -1.139 120.284 121.300 0.205 0.000 2.332 556 W HA -0.167 4.490 4.660 -0.005 0.000 0.321 556 W C 2.241 178.918 176.519 0.264 0.000 1.219 556 W CA 0.834 58.317 57.345 0.230 0.000 1.277 556 W CB -1.857 27.706 29.460 0.172 0.000 1.161 556 W HN 0.563 nan 8.180 nan 0.000 0.476 557 Y N 0.938 121.420 120.300 0.302 0.000 2.014 557 Y HA -0.316 4.231 4.550 -0.005 0.000 0.272 557 Y C 2.500 178.484 175.900 0.139 0.000 1.164 557 Y CA 2.364 60.446 58.100 -0.030 0.000 1.114 557 Y CB -1.055 37.278 38.460 -0.212 0.000 0.961 557 Y HN -0.163 nan 8.280 nan 0.000 0.489 558 L N -1.090 120.186 121.223 0.088 0.000 2.021 558 L HA -0.277 4.061 4.340 -0.005 0.000 0.215 558 L C 2.467 179.358 176.870 0.035 0.000 1.074 558 L CA 1.872 56.735 54.840 0.039 0.000 0.760 558 L CB -1.086 41.192 42.059 0.366 0.000 0.889 558 L HN 0.338 nan 8.230 nan 0.000 0.433 559 F N 0.566 120.539 119.950 0.038 0.000 2.065 559 F HA -0.345 4.179 4.527 -0.005 0.000 0.298 559 F C 2.662 178.333 175.800 -0.214 0.000 1.112 559 F CA 1.765 59.633 58.000 -0.221 0.000 1.212 559 F CB -1.040 38.008 39.000 0.079 0.000 0.975 559 F HN 0.086 nan 8.300 nan 0.000 0.476 560 Y N 1.436 121.568 120.300 -0.279 0.000 1.993 560 Y HA -0.310 4.237 4.550 -0.005 0.000 0.267 560 Y C 2.791 178.444 175.900 -0.411 0.000 1.155 560 Y CA 2.666 60.538 58.100 -0.380 0.000 1.105 560 Y CB -1.040 37.340 38.460 -0.133 0.000 0.960 560 Y HN 0.016 nan 8.280 nan 0.000 0.486 561 R N -0.712 119.353 120.500 -0.726 0.000 2.140 561 R HA -0.255 4.082 4.340 -0.005 0.000 0.250 561 R C 2.341 178.345 176.300 -0.493 0.000 1.150 561 R CA 2.194 57.858 56.100 -0.726 0.000 0.966 561 R CB -1.131 28.807 30.300 -0.603 0.000 0.869 561 R HN 0.513 nan 8.270 nan 0.000 0.445 562 F N 0.601 120.197 119.950 -0.590 0.000 2.084 562 F HA -0.165 4.359 4.527 -0.005 0.000 0.296 562 F C 2.282 177.756 175.800 -0.543 0.000 1.111 562 F CA 1.160 58.836 58.000 -0.540 0.000 1.224 562 F CB -0.390 38.082 39.000 -0.879 0.000 0.991 562 F HN -0.269 nan 8.300 nan 0.000 0.471 563 V N 0.435 119.991 119.914 -0.596 0.000 2.469 563 V HA -0.316 3.801 4.120 -0.005 0.000 0.251 563 V C 2.433 178.211 176.094 -0.526 0.000 1.064 563 V CA 2.073 64.004 62.300 -0.615 0.000 1.066 563 V CB -0.670 30.640 31.823 -0.854 0.000 0.667 563 V HN 0.282 nan 8.190 nan 0.000 0.461 564 K N -0.213 119.835 120.400 -0.587 0.000 2.167 564 K HA -0.050 4.268 4.320 -0.005 0.000 0.203 564 K C 2.291 178.654 176.600 -0.395 0.000 1.052 564 K CA 1.316 57.300 56.287 -0.505 0.000 0.956 564 K CB -0.155 31.935 32.500 -0.683 0.000 0.735 564 K HN 0.574 nan 8.250 nan 0.000 0.451 565 S N 0.468 115.915 115.700 -0.422 0.000 2.527 565 S HA 0.106 4.573 4.470 -0.005 0.000 0.222 565 S C 1.217 175.602 174.600 -0.359 0.000 0.985 565 S CA 0.502 58.499 58.200 -0.338 0.000 0.921 565 S CB 0.077 63.103 63.200 -0.289 0.000 0.772 565 S HN 0.144 nan 8.310 nan 0.000 0.529 566 I N 0.725 121.021 120.570 -0.455 0.000 3.176 566 I HA 0.180 4.347 4.170 -0.005 0.000 0.339 566 I C 1.778 177.712 176.117 -0.305 0.000 1.505 566 I CA -0.091 60.969 61.300 -0.399 0.000 0.969 566 I CB 0.688 38.338 38.000 -0.583 0.000 1.636 566 I HN 0.193 nan 8.210 nan 0.000 0.523 567 K N 1.707 121.944 120.400 -0.271 0.000 2.009 567 K HA -0.207 4.110 4.320 -0.005 0.000 0.210 567 K C 1.943 178.441 176.600 -0.170 0.000 1.049 567 K CA 1.926 58.079 56.287 -0.224 0.000 0.929 567 K CB -0.511 31.864 32.500 -0.209 0.000 0.714 567 K HN 0.294 nan 8.250 nan 0.000 0.440 568 K N 1.132 121.440 120.400 -0.153 0.000 2.057 568 K HA -0.078 4.239 4.320 -0.005 0.000 0.207 568 K C 2.263 178.802 176.600 -0.103 0.000 1.049 568 K CA 1.323 57.539 56.287 -0.118 0.000 0.931 568 K CB -0.011 32.421 32.500 -0.114 0.000 0.714 568 K HN 0.432 nan 8.250 nan 0.000 0.440 569 Q N 0.227 119.957 119.800 -0.117 0.000 2.364 569 Q HA -0.002 4.335 4.340 -0.005 0.000 0.207 569 Q C -0.093 175.869 176.000 -0.063 0.000 0.970 569 Q CA 0.609 56.358 55.803 -0.089 0.000 0.888 569 Q CB 0.104 28.782 28.738 -0.100 0.000 0.951 569 Q HN 0.070 nan 8.270 nan 0.000 0.469 570 V N 1.195 121.064 119.914 -0.076 0.000 2.289 570 V HA 0.137 4.254 4.120 -0.005 0.000 0.272 570 V C 0.371 176.438 176.094 -0.045 0.000 1.026 570 V CA -0.038 62.238 62.300 -0.041 0.000 0.807 570 V CB 1.530 33.333 31.823 -0.033 0.000 1.044 570 V HN -0.112 nan 8.190 nan 0.000 0.443 571 V N 3.328 123.225 119.914 -0.028 0.000 3.408 571 V HA 0.107 4.224 4.120 -0.005 0.000 0.263 571 V C 1.407 177.498 176.094 -0.006 0.000 1.503 571 V CA 0.382 62.666 62.300 -0.026 0.000 1.046 571 V CB 0.248 32.052 31.823 -0.032 0.000 0.851 571 V HN 0.758 nan 8.190 nan 0.000 0.435 572 N N -1.095 117.607 118.700 0.002 0.000 2.353 572 N HA -0.030 4.707 4.740 -0.005 0.000 0.185 572 N C 0.962 176.488 175.510 0.026 0.000 1.098 572 N CA 0.691 53.749 53.050 0.014 0.000 0.872 572 N CB 0.253 38.749 38.487 0.014 0.000 0.970 572 N HN 0.503 nan 8.380 nan 0.000 0.467 573 Y N -0.612 119.706 120.300 0.031 0.000 2.467 573 Y HA 0.136 4.683 4.550 -0.005 0.000 0.250 573 Y C 2.309 178.242 175.900 0.055 0.000 1.155 573 Y CA -0.534 57.597 58.100 0.052 0.000 1.249 573 Y CB -0.647 37.857 38.460 0.073 0.000 1.146 573 Y HN 0.198 nan 8.280 nan 0.000 0.524 574 T N 0.047 114.621 114.554 0.033 0.000 2.580 574 T HA -0.238 4.109 4.350 -0.005 0.000 0.265 574 T C 1.861 176.585 174.700 0.040 0.000 1.063 574 T CA 1.944 64.061 62.100 0.028 0.000 1.170 574 T CB -0.395 68.476 68.868 0.006 0.000 0.863 574 T HN 0.544 nan 8.240 nan 0.000 0.418 575 E N 1.634 121.856 120.200 0.036 0.000 2.026 575 E HA -0.210 4.137 4.350 -0.005 0.000 0.206 575 E C 2.795 179.423 176.600 0.045 0.000 1.028 575 E CA 1.520 57.944 56.400 0.040 0.000 0.845 575 E CB -1.331 28.390 29.700 0.035 0.000 0.772 575 E HN 0.858 nan 8.360 nan 0.000 0.462 576 S N 1.960 117.687 115.700 0.046 0.000 2.392 576 S HA -0.306 4.161 4.470 -0.005 0.000 0.225 576 S C 2.334 176.968 174.600 0.057 0.000 1.041 576 S CA 2.518 60.747 58.200 0.049 0.000 1.100 576 S CB -1.278 61.952 63.200 0.049 0.000 1.029 576 S HN 0.570 nan 8.310 nan 0.000 0.424 577 S N 3.257 119.002 115.700 0.076 0.000 2.381 577 S HA -0.170 4.297 4.470 -0.005 0.000 0.230 577 S C 1.951 176.602 174.600 0.086 0.000 1.052 577 S CA 1.693 59.950 58.200 0.096 0.000 1.068 577 S CB -1.306 62.002 63.200 0.180 0.000 0.918 577 S HN 0.505 nan 8.310 nan 0.000 0.448 578 L N 1.724 122.995 121.223 0.080 0.000 2.012 578 L HA -0.153 4.184 4.340 -0.005 0.000 0.210 578 L C 3.214 180.110 176.870 0.044 0.000 1.073 578 L CA 1.381 56.259 54.840 0.064 0.000 0.748 578 L CB -0.986 41.107 42.059 0.057 0.000 0.891 578 L HN 0.495 nan 8.230 nan 0.000 0.431 579 A N -0.470 122.377 122.820 0.044 0.000 1.948 579 A HA -0.258 4.059 4.320 -0.005 0.000 0.220 579 A C 2.304 179.911 177.584 0.038 0.000 1.177 579 A CA 1.889 53.948 52.037 0.036 0.000 0.636 579 A CB -0.447 18.574 19.000 0.035 0.000 0.815 579 A HN 0.350 nan 8.150 nan 0.000 0.449 580 M N -0.541 119.090 119.600 0.051 0.000 2.296 580 M HA -0.025 4.452 4.480 -0.005 0.000 0.265 580 M C 1.698 178.057 176.300 0.097 0.000 1.064 580 M CA 1.099 56.454 55.300 0.091 0.000 1.109 580 M CB -0.881 31.772 32.600 0.088 0.000 1.396 580 M HN 0.419 nan 8.290 nan 0.000 0.430 581 L N -1.079 120.152 121.223 0.013 0.000 2.610 581 L HA 0.063 4.400 4.340 -0.005 0.000 0.232 581 L C 2.440 179.271 176.870 -0.066 0.000 1.149 581 L CA 0.098 54.903 54.840 -0.058 0.000 0.872 581 L CB -1.243 40.763 42.059 -0.089 0.000 0.992 581 L HN 0.298 nan 8.230 nan 0.000 0.447 582 G N 1.030 109.820 108.800 -0.016 0.000 2.476 582 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.218 582 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.218 582 G C 1.154 176.039 174.900 -0.025 0.000 1.164 582 G CA 1.155 46.242 45.100 -0.021 0.000 0.768 582 G HN 0.448 nan 8.290 nan 0.000 0.560 583 D N 0.955 121.354 120.400 -0.002 0.000 2.117 583 D HA -0.076 4.561 4.640 -0.005 0.000 0.198 583 D C 2.438 178.733 176.300 -0.009 0.000 0.982 583 D CA 0.567 54.571 54.000 0.007 0.000 0.828 583 D CB -0.393 40.417 40.800 0.015 0.000 0.967 583 D HN 0.370 nan 8.370 nan 0.000 0.464 584 L N 0.406 121.595 121.223 -0.058 0.000 2.622 584 L HA 0.009 4.346 4.340 -0.005 0.000 0.233 584 L C 2.072 178.716 176.870 -0.377 0.000 1.156 584 L CA 0.198 54.909 54.840 -0.215 0.000 0.866 584 L CB -0.246 41.562 42.059 -0.419 0.000 0.980 584 L HN -0.075 nan 8.230 nan 0.000 0.448 585 L N -0.936 120.125 121.223 -0.271 0.000 2.592 585 L HA 0.116 4.453 4.340 -0.005 0.000 0.227 585 L C 0.840 177.742 176.870 0.054 0.000 1.127 585 L CA -0.253 54.403 54.840 -0.307 0.000 0.884 585 L CB -0.327 41.607 42.059 -0.209 0.000 1.065 585 L HN 0.256 nan 8.230 nan 0.000 0.457 586 N N 1.096 119.823 118.700 0.045 0.000 2.445 586 N HA 0.372 5.109 4.740 -0.005 0.000 0.264 586 N C -0.722 174.889 175.510 0.169 0.000 1.227 586 N CA -0.016 53.101 53.050 0.111 0.000 0.963 586 N CB 1.054 39.586 38.487 0.074 0.000 1.188 586 N HN -0.051 nan 8.380 nan 0.000 0.491 587 I N 0.739 121.406 120.570 0.163 0.000 2.468 587 I HA 0.299 4.466 4.170 -0.005 0.000 0.285 587 I C -0.071 176.112 176.117 0.111 0.000 1.039 587 I CA -0.398 61.008 61.300 0.177 0.000 1.074 587 I CB 1.577 39.685 38.000 0.181 0.000 1.228 587 I HN 0.536 nan 8.210 nan 0.000 0.436 588 S N 6.167 121.935 115.700 0.114 0.000 2.060 588 S HA 0.551 5.018 4.470 -0.005 0.000 0.156 588 S C -0.246 174.395 174.600 0.068 0.000 1.690 588 S CA -0.452 57.794 58.200 0.077 0.000 1.238 588 S CB 0.434 63.679 63.200 0.077 0.000 1.150 588 S HN 0.281 nan 8.310 nan 0.000 0.437 589 V N 2.678 122.614 119.914 0.037 0.000 2.427 589 V HA 0.669 4.786 4.120 -0.005 0.000 0.268 589 V C 0.789 176.891 176.094 0.014 0.000 1.046 589 V CA 0.087 62.396 62.300 0.016 0.000 0.970 589 V CB 0.410 32.199 31.823 -0.057 0.000 1.001 589 V HN 0.826 nan 8.190 nan 0.000 0.476 590 S N 7.421 123.136 115.700 0.025 0.000 2.472 590 S HA 0.833 5.300 4.470 -0.005 0.000 0.303 590 S C -2.080 172.530 174.600 0.016 0.000 1.099 590 S CA -1.665 56.547 58.200 0.020 0.000 1.077 590 S CB 1.301 64.516 63.200 0.025 0.000 1.031 590 S HN 0.578 nan 8.310 nan 0.000 0.487 591 P HA 0.505 nan 4.420 nan 0.000 0.293 591 P C -0.359 176.946 177.300 0.009 0.000 1.300 591 P CA -0.309 62.796 63.100 0.007 0.000 0.792 591 P CB 1.390 33.092 31.700 0.002 0.000 0.925 592 V N 2.737 122.657 119.914 0.011 0.000 6.522 592 V HA 0.552 4.669 4.120 -0.005 0.000 0.165 592 V C 0.601 176.699 176.094 0.007 0.000 1.400 592 V CA 0.195 62.502 62.300 0.010 0.000 1.067 592 V CB 0.334 32.165 31.823 0.014 0.000 2.145 592 V HN 0.685 nan 8.190 nan 0.000 0.311 597 A N 1.227 124.049 122.820 0.004 0.000 2.407 597 A HA 0.564 4.881 4.320 -0.005 0.000 0.248 597 A C -1.067 176.519 177.584 0.002 0.000 1.082 597 A CA 0.151 52.190 52.037 0.003 0.000 0.785 597 A CB 0.315 19.316 19.000 0.002 0.000 1.020 597 A HN 0.344 nan 8.150 nan 0.000 0.489 598 P HA 0.021 nan 4.420 nan 0.000 0.233 598 P C 0.020 177.321 177.300 0.002 0.000 1.167 598 P CA 0.682 63.783 63.100 0.002 0.000 0.770 598 P CB 0.001 31.702 31.700 0.002 0.000 0.837 599 V N 2.861 122.776 119.914 0.002 0.000 2.630 599 V HA 0.376 4.493 4.120 -0.005 0.000 0.305 599 V C -2.066 174.029 176.094 0.001 0.000 1.046 599 V CA -2.083 60.218 62.300 0.001 0.000 0.934 599 V CB 2.064 33.888 31.823 0.001 0.000 1.003 599 V HN 0.009 nan 8.190 nan 0.000 0.451 600 P HA 0.610 nan 4.420 nan 0.000 0.283 600 P C -0.825 176.472 177.300 -0.006 0.000 1.278 600 P CA -0.262 62.837 63.100 -0.001 0.000 0.834 600 P CB 1.929 33.629 31.700 -0.000 0.000 1.150 601 T N 0.206 114.754 114.554 -0.010 0.000 2.749 601 T HA 0.128 4.475 4.350 -0.005 0.000 0.310 601 T C 0.766 175.446 174.700 -0.033 0.000 1.496 601 T CA -0.360 61.726 62.100 -0.022 0.000 1.006 601 T CB 0.965 69.819 68.868 -0.023 0.000 1.457 601 T HN 0.177 nan 8.240 nan 0.000 0.497 602 L N 1.889 123.075 121.223 -0.062 0.000 2.017 602 L HA 0.011 4.348 4.340 -0.005 0.000 0.208 602 L C 2.072 178.905 176.870 -0.061 0.000 1.073 602 L CA 2.046 56.831 54.840 -0.092 0.000 0.745 602 L CB -0.819 41.125 42.059 -0.192 0.000 0.894 602 L HN 0.661 nan 8.230 nan 0.000 0.432 603 N N -1.391 117.276 118.700 -0.056 0.000 2.069 603 N HA -0.204 4.533 4.740 -0.005 0.000 0.191 603 N C 1.757 177.272 175.510 0.008 0.000 1.031 603 N CA 1.580 54.618 53.050 -0.019 0.000 0.852 603 N CB -0.051 38.425 38.487 -0.019 0.000 1.018 603 N HN 0.333 nan 8.380 nan 0.000 0.423 604 S N 0.343 116.044 115.700 0.002 0.000 2.368 604 S HA -0.074 4.393 4.470 -0.005 0.000 0.225 604 S C 2.148 176.761 174.600 0.021 0.000 1.030 604 S CA 0.915 59.122 58.200 0.012 0.000 0.999 604 S CB -0.123 63.081 63.200 0.006 0.000 0.844 604 S HN 0.299 nan 8.310 nan 0.000 0.459 605 S N 1.626 117.333 115.700 0.013 0.000 2.356 605 S HA 0.027 4.494 4.470 -0.005 0.000 0.223 605 S C 1.816 176.440 174.600 0.040 0.000 1.032 605 S CA 1.000 59.211 58.200 0.018 0.000 1.005 605 S CB -0.408 62.792 63.200 -0.000 0.000 0.867 605 S HN 0.411 nan 8.310 nan 0.000 0.449 606 I N 1.340 121.940 120.570 0.050 0.000 2.226 606 I HA -0.218 3.949 4.170 -0.005 0.000 0.245 606 I C 2.653 178.854 176.117 0.140 0.000 1.100 606 I CA 1.241 62.606 61.300 0.110 0.000 1.374 606 I CB -0.292 37.800 38.000 0.153 0.000 1.057 606 I HN 0.202 nan 8.210 nan 0.000 0.413 607 R N 0.659 121.219 120.500 0.100 0.000 2.075 607 R HA -0.141 4.196 4.340 -0.005 0.000 0.232 607 R C 2.269 178.619 176.300 0.082 0.000 1.126 607 R CA 1.635 57.790 56.100 0.092 0.000 0.963 607 R CB -1.037 29.301 30.300 0.063 0.000 0.858 607 R HN 0.528 nan 8.270 nan 0.000 0.435 608 N N 0.762 119.502 118.700 0.067 0.000 2.609 608 N HA -0.003 4.734 4.740 -0.005 0.000 0.190 608 N C 0.589 176.143 175.510 0.074 0.000 1.157 608 N CA 1.185 54.269 53.050 0.056 0.000 0.918 608 N CB -0.065 38.446 38.487 0.041 0.000 0.978 608 N HN 0.450 nan 8.380 nan 0.000 0.448 609 S N -0.007 115.759 115.700 0.109 0.000 2.548 609 S HA 0.503 4.970 4.470 -0.005 0.000 0.286 609 S C -0.824 173.899 174.600 0.204 0.000 1.098 609 S CA -0.707 57.581 58.200 0.148 0.000 0.930 609 S CB 0.906 64.201 63.200 0.159 0.000 1.070 609 S HN 0.287 nan 8.310 nan 0.000 0.480 610 D N 2.640 123.166 120.400 0.211 0.000 2.982 610 D HA 0.085 4.722 4.640 -0.005 0.000 0.238 610 D C 0.329 176.859 176.300 0.383 0.000 1.168 610 D CA 0.050 54.191 54.000 0.236 0.000 0.947 610 D CB -0.324 40.556 40.800 0.132 0.000 1.147 610 D HN 0.532 nan 8.370 nan 0.000 0.450 611 F N 1.964 122.039 119.950 0.207 0.000 2.179 611 F HA -0.054 4.470 4.527 -0.005 0.000 0.292 611 F C 1.757 177.675 175.800 0.197 0.000 1.089 611 F CA 0.683 58.808 58.000 0.209 0.000 1.295 611 F CB 0.047 39.139 39.000 0.153 0.000 1.041 611 F HN -0.075 nan 8.300 nan 0.000 0.487 612 N N 0.711 119.507 118.700 0.160 0.000 2.258 612 N HA -0.178 4.559 4.740 -0.005 0.000 0.187 612 N C 1.954 177.515 175.510 0.086 0.000 1.012 612 N CA 1.479 54.555 53.050 0.042 0.000 0.870 612 N CB -0.666 37.897 38.487 0.128 0.000 0.977 612 N HN 0.551 nan 8.380 nan 0.000 0.434 613 S N 0.578 116.417 115.700 0.231 0.000 2.421 613 S HA -0.034 4.433 4.470 -0.005 0.000 0.224 613 S C 1.872 176.773 174.600 0.501 0.000 1.035 613 S CA 0.390 58.858 58.200 0.446 0.000 0.953 613 S CB -0.233 63.186 63.200 0.365 0.000 0.810 613 S HN 0.282 nan 8.310 nan 0.000 0.497 614 Q N 0.332 120.346 119.800 0.357 0.000 2.291 614 Q HA 0.025 4.362 4.340 -0.005 0.000 0.206 614 Q C 1.685 177.610 176.000 -0.126 0.000 0.976 614 Q CA 0.695 56.549 55.803 0.086 0.000 0.875 614 Q CB -0.356 28.443 28.738 0.101 0.000 0.927 614 Q HN 0.709 nan 8.270 nan 0.000 0.450 615 L N -0.575 120.532 121.223 -0.194 0.000 2.083 615 L HA -0.186 4.151 4.340 -0.005 0.000 0.209 615 L C 1.885 178.689 176.870 -0.111 0.000 1.083 615 L CA 1.189 55.932 54.840 -0.161 0.000 0.752 615 L CB -0.532 41.278 42.059 -0.416 0.000 0.899 615 L HN 0.317 nan 8.230 nan 0.000 0.433 616 Y N -0.342 119.906 120.300 -0.086 0.000 2.315 616 Y HA -0.256 4.291 4.550 -0.005 0.000 0.288 616 Y C 2.472 178.266 175.900 -0.175 0.000 1.154 616 Y CA 0.899 58.875 58.100 -0.207 0.000 1.229 616 Y CB -0.123 38.314 38.460 -0.039 0.000 0.980 616 Y HN 0.112 nan 8.280 nan 0.000 0.540 617 L N -1.600 119.595 121.223 -0.047 0.000 2.093 617 L HA -0.216 4.121 4.340 -0.005 0.000 0.208 617 L C 1.878 178.586 176.870 -0.270 0.000 1.085 617 L CA 1.177 55.863 54.840 -0.256 0.000 0.755 617 L CB -0.352 41.285 42.059 -0.702 0.000 0.904 617 L HN 0.209 nan 8.230 nan 0.000 0.435 618 F N -0.075 119.825 119.950 -0.082 0.000 2.084 618 F HA -0.246 4.278 4.527 -0.005 0.000 0.296 618 F C 2.602 178.462 175.800 0.101 0.000 1.111 618 F CA 1.564 59.561 58.000 -0.005 0.000 1.224 618 F CB -0.377 38.614 39.000 -0.015 0.000 0.991 618 F HN 0.078 nan 8.300 nan 0.000 0.471 619 E N -0.093 120.227 120.200 0.201 0.000 2.219 619 E HA -0.219 4.128 4.350 -0.005 0.000 0.198 619 E C 1.750 178.398 176.600 0.080 0.000 0.998 619 E CA 1.733 58.186 56.400 0.089 0.000 0.818 619 E CB -0.072 29.556 29.700 -0.120 0.000 0.741 619 E HN 0.351 nan 8.360 nan 0.000 0.477 620 T N -0.305 114.299 114.554 0.084 0.000 2.896 620 T HA -0.050 4.297 4.350 -0.005 0.000 0.263 620 T C 1.880 176.587 174.700 0.011 0.000 1.050 620 T CA 0.896 63.046 62.100 0.083 0.000 1.140 620 T CB 0.014 68.921 68.868 0.065 0.000 0.877 620 T HN 0.031 nan 8.240 nan 0.000 0.457 621 V N 1.801 121.759 119.914 0.074 0.000 2.392 621 V HA -0.122 3.995 4.120 -0.005 0.000 0.249 621 V C 2.872 179.001 176.094 0.058 0.000 1.059 621 V CA 1.968 64.328 62.300 0.101 0.000 1.051 621 V CB -1.421 30.501 31.823 0.166 0.000 0.658 621 V HN 0.583 nan 8.190 nan 0.000 0.455 622 G N 0.079 108.903 108.800 0.039 0.000 2.440 622 G HA2 -0.202 3.755 3.960 -0.005 0.000 0.218 622 G HA3 -0.202 3.755 3.960 -0.005 0.000 0.218 622 G C 1.618 176.061 174.900 -0.762 0.000 1.154 622 G CA 1.327 46.051 45.100 -0.627 0.000 0.767 622 G HN 0.428 nan 8.290 nan 0.000 0.552 623 V N 0.880 120.568 119.914 -0.377 0.000 2.358 623 V HA -0.084 4.033 4.120 -0.005 0.000 0.246 623 V C 2.869 178.782 176.094 -0.302 0.000 1.047 623 V CA 1.198 63.298 62.300 -0.333 0.000 1.035 623 V CB -0.511 31.190 31.823 -0.202 0.000 0.658 623 V HN 0.317 nan 8.190 nan 0.000 0.452 624 L N -0.431 120.663 121.223 -0.215 0.000 1.994 624 L HA -0.182 4.155 4.340 -0.005 0.000 0.208 624 L C 2.472 179.249 176.870 -0.155 0.000 1.071 624 L CA 1.868 56.622 54.840 -0.143 0.000 0.745 624 L CB -0.516 41.510 42.059 -0.055 0.000 0.892 624 L HN 0.253 nan 8.230 nan 0.000 0.431 625 I N -0.203 120.260 120.570 -0.178 0.000 2.226 625 I HA -0.272 3.895 4.170 -0.005 0.000 0.245 625 I C 2.632 178.617 176.117 -0.220 0.000 1.100 625 I CA 1.792 63.012 61.300 -0.132 0.000 1.374 625 I CB -0.449 37.534 38.000 -0.028 0.000 1.057 625 I HN 0.371 nan 8.210 nan 0.000 0.413 626 S N -0.371 115.034 115.700 -0.493 0.000 2.562 626 S HA -0.004 4.463 4.470 -0.005 0.000 0.221 626 S C 1.352 175.741 174.600 -0.352 0.000 0.975 626 S CA 0.548 58.432 58.200 -0.528 0.000 0.918 626 S CB -0.173 62.514 63.200 -0.855 0.000 0.772 626 S HN 0.493 nan 8.310 nan 0.000 0.531 627 S N -1.056 114.489 115.700 -0.258 0.000 2.937 627 S HA 0.466 4.933 4.470 -0.005 0.000 0.252 627 S C 1.080 175.609 174.600 -0.119 0.000 1.022 627 S CA -0.080 58.013 58.200 -0.178 0.000 1.079 627 S CB 0.268 63.355 63.200 -0.188 0.000 1.035 627 S HN 0.464 nan 8.310 nan 0.000 0.594 628 G N 1.790 110.532 108.800 -0.097 0.000 3.284 628 G HA2 0.180 4.137 3.960 -0.005 0.000 0.236 628 G HA3 0.180 4.137 3.960 -0.005 0.000 0.236 628 G C 0.439 175.323 174.900 -0.026 0.000 1.158 628 G CA -0.546 44.520 45.100 -0.056 0.000 0.774 628 G HN 0.416 nan 8.290 nan 0.000 0.545 629 N N -0.298 118.390 118.700 -0.020 0.000 2.710 629 N HA -0.142 4.595 4.740 -0.005 0.000 0.249 629 N C 0.055 175.576 175.510 0.019 0.000 1.059 629 N CA 0.569 53.621 53.050 0.005 0.000 0.720 629 N CB -1.185 37.301 38.487 -0.001 0.000 0.983 629 N HN 0.363 nan 8.380 nan 0.000 0.544 630 L N 0.662 121.899 121.223 0.024 0.000 2.331 630 L HA 0.271 4.608 4.340 -0.005 0.000 0.278 630 L C 1.726 178.631 176.870 0.058 0.000 1.106 630 L CA -0.033 54.831 54.840 0.039 0.000 0.824 630 L CB 0.519 42.605 42.059 0.044 0.000 1.142 630 L HN 0.266 nan 8.230 nan 0.000 0.443 631 T N 3.537 118.124 114.554 0.056 0.000 2.939 631 T HA 0.067 4.414 4.350 -0.005 0.000 0.319 631 T C -1.045 173.708 174.700 0.088 0.000 1.082 631 T CA -1.095 61.044 62.100 0.064 0.000 1.133 631 T CB 0.016 68.915 68.868 0.051 0.000 1.019 631 T HN 0.462 nan 8.240 nan 0.000 0.548 632 P HA -0.043 nan 4.420 nan 0.000 0.221 632 P C 1.291 178.652 177.300 0.101 0.000 1.145 632 P CA 1.485 64.661 63.100 0.127 0.000 0.795 632 P CB -0.034 31.734 31.700 0.113 0.000 0.775 633 E N 0.788 121.033 120.200 0.075 0.000 2.204 633 E HA -0.194 4.153 4.350 -0.005 0.000 0.194 633 E C 1.739 178.382 176.600 0.071 0.000 0.989 633 E CA 1.365 57.802 56.400 0.062 0.000 0.824 633 E CB -0.924 28.804 29.700 0.047 0.000 0.756 633 E HN 0.405 nan 8.360 nan 0.000 0.477 634 E N -0.338 119.910 120.200 0.081 0.000 2.175 634 E HA -0.001 4.346 4.350 -0.005 0.000 0.195 634 E C 2.265 178.935 176.600 0.117 0.000 0.934 634 E CA 0.759 57.210 56.400 0.086 0.000 0.870 634 E CB 0.031 29.774 29.700 0.073 0.000 0.838 634 E HN 0.705 nan 8.360 nan 0.000 0.474 635 Q N 0.560 120.443 119.800 0.138 0.000 2.449 635 Q HA -0.087 4.251 4.340 -0.005 0.000 0.214 635 Q C 1.695 177.839 176.000 0.241 0.000 0.986 635 Q CA 1.472 57.391 55.803 0.192 0.000 0.893 635 Q CB -0.151 28.713 28.738 0.209 0.000 0.940 635 Q HN 0.197 nan 8.270 nan 0.000 0.477 636 A N 0.848 123.780 122.820 0.186 0.000 1.984 636 A HA 0.240 4.558 4.320 -0.005 0.000 0.214 636 A C 2.460 180.130 177.584 0.144 0.000 1.173 636 A CA 0.913 53.050 52.037 0.168 0.000 0.673 636 A CB -0.743 18.324 19.000 0.112 0.000 0.830 636 A HN 0.438 nan 8.150 nan 0.000 0.453 637 L N -1.634 119.663 121.223 0.122 0.000 2.072 637 L HA 0.107 4.444 4.340 -0.005 0.000 0.205 637 L C 2.936 179.875 176.870 0.115 0.000 1.079 637 L CA 2.549 57.449 54.840 0.100 0.000 0.752 637 L CB -2.408 39.698 42.059 0.079 0.000 0.906 637 L HN 0.771 nan 8.230 nan 0.000 0.436 638 Y N -1.732 118.652 120.300 0.140 0.000 2.163 638 Y HA -0.115 4.432 4.550 -0.005 0.000 0.288 638 Y C 3.073 179.098 175.900 0.209 0.000 1.136 638 Y CA 2.440 60.631 58.100 0.151 0.000 1.147 638 Y CB -1.379 37.173 38.460 0.153 0.000 0.987 638 Y HN 0.755 nan 8.280 nan 0.000 0.509 639 C N 0.452 119.943 119.300 0.319 0.000 2.425 639 C HA -0.160 4.297 4.460 -0.005 0.000 0.277 639 C C 2.357 177.527 174.990 0.301 0.000 1.280 639 C CA 1.854 61.165 59.018 0.488 0.000 1.744 639 C CB -0.988 27.084 27.740 0.554 0.000 1.989 639 C HN 0.653 nan 8.230 nan 0.000 0.491 640 D N 1.170 121.688 120.400 0.196 0.000 2.144 640 D HA -0.016 4.621 4.640 -0.005 0.000 0.200 640 D C 2.719 179.070 176.300 0.086 0.000 0.978 640 D CA 1.784 55.859 54.000 0.124 0.000 0.833 640 D CB -0.428 40.427 40.800 0.092 0.000 0.961 640 D HN 0.632 nan 8.370 nan 0.000 0.470 641 S N 0.489 116.238 115.700 0.083 0.000 2.402 641 S HA -0.062 4.405 4.470 -0.005 0.000 0.229 641 S C 1.944 176.553 174.600 0.015 0.000 1.021 641 S CA 0.718 58.947 58.200 0.048 0.000 0.974 641 S CB -0.297 62.934 63.200 0.051 0.000 0.800 641 S HN 0.128 nan 8.310 nan 0.000 0.484 642 L N 1.048 122.262 121.223 -0.015 0.000 2.068 642 L HA 0.128 4.465 4.340 -0.005 0.000 0.204 642 L C 2.763 179.554 176.870 -0.132 0.000 1.076 642 L CA 1.567 56.328 54.840 -0.132 0.000 0.753 642 L CB -0.507 41.308 42.059 -0.406 0.000 0.910 642 L HN 0.407 nan 8.230 nan 0.000 0.439 643 I N 0.736 121.266 120.570 -0.065 0.000 2.099 643 I HA -0.343 3.824 4.170 -0.005 0.000 0.239 643 I C 2.272 178.385 176.117 -0.005 0.000 1.066 643 I CA 2.428 63.726 61.300 -0.004 0.000 1.324 643 I CB -2.167 35.895 38.000 0.102 0.000 1.037 643 I HN 0.766 nan 8.210 nan 0.000 0.401 644 N N 1.809 120.517 118.700 0.013 0.000 2.381 644 N HA 0.055 4.792 4.740 -0.005 0.000 0.182 644 N C 1.592 177.103 175.510 0.003 0.000 1.025 644 N CA 1.852 54.909 53.050 0.011 0.000 0.888 644 N CB -0.844 37.655 38.487 0.021 0.000 0.965 644 N HN 0.720 nan 8.380 nan 0.000 0.438 645 A N 0.624 123.441 122.820 -0.005 0.000 1.929 645 A HA 0.249 4.566 4.320 -0.005 0.000 0.216 645 A C 2.794 180.374 177.584 -0.006 0.000 1.176 645 A CA 1.951 53.988 52.037 -0.001 0.000 0.628 645 A CB -1.009 17.992 19.000 0.003 0.000 0.816 645 A HN 0.403 nan 8.150 nan 0.000 0.444 646 L N -0.457 120.749 121.223 -0.029 0.000 2.131 646 L HA 0.236 4.573 4.340 -0.005 0.000 0.206 646 L C 2.958 179.812 176.870 -0.026 0.000 1.087 646 L CA 2.183 56.998 54.840 -0.041 0.000 0.767 646 L CB -2.093 39.901 42.059 -0.109 0.000 0.917 646 L HN 0.675 nan 8.230 nan 0.000 0.441 647 I N -0.004 120.554 120.570 -0.019 0.000 2.202 647 I HA 0.079 4.246 4.170 -0.005 0.000 0.242 647 I C 2.881 178.998 176.117 0.000 0.000 1.091 647 I CA 2.278 63.574 61.300 -0.007 0.000 1.368 647 I CB -1.831 36.169 38.000 0.001 0.000 1.058 647 I HN 0.431 nan 8.210 nan 0.000 0.410 648 G N 0.168 108.969 108.800 0.003 0.000 2.462 648 G HA2 -0.189 3.768 3.960 -0.005 0.000 0.220 648 G HA3 -0.189 3.768 3.960 -0.005 0.000 0.220 648 G C 1.941 176.845 174.900 0.007 0.000 1.121 648 G CA 1.833 46.937 45.100 0.006 0.000 0.758 648 G HN 0.930 nan 8.290 nan 0.000 0.559 649 K N 0.686 121.090 120.400 0.006 0.000 2.062 649 K HA 0.480 4.797 4.320 -0.005 0.000 0.205 649 K C 2.754 179.358 176.600 0.007 0.000 1.051 649 K CA 1.509 57.801 56.287 0.008 0.000 0.941 649 K CB -0.883 31.624 32.500 0.011 0.000 0.719 649 K HN 0.484 nan 8.250 nan 0.000 0.440 650 A N 1.366 124.188 122.820 0.003 0.000 1.898 650 A HA -0.095 4.222 4.320 -0.005 0.000 0.216 650 A C 2.494 180.084 177.584 0.009 0.000 1.181 650 A CA 2.164 54.204 52.037 0.005 0.000 0.620 650 A CB -1.339 17.663 19.000 0.003 0.000 0.819 650 A HN 0.767 nan 8.150 nan 0.000 0.442 651 N N 0.259 118.964 118.700 0.008 0.000 2.084 651 N HA 0.040 4.777 4.740 -0.005 0.000 0.190 651 N C 2.268 177.783 175.510 0.008 0.000 1.030 651 N CA 2.362 55.417 53.050 0.009 0.000 0.849 651 N CB -0.968 37.523 38.487 0.008 0.000 1.012 651 N HN 0.806 nan 8.380 nan 0.000 0.423 652 A N 0.444 123.268 122.820 0.008 0.000 1.908 652 A HA 0.238 4.555 4.320 -0.005 0.000 0.218 652 A C 2.774 180.363 177.584 0.008 0.000 1.181 652 A CA 2.453 54.495 52.037 0.008 0.000 0.627 652 A CB -0.958 18.048 19.000 0.008 0.000 0.818 652 A HN 1.033 nan 8.150 nan 0.000 0.445 653 A N -0.698 122.127 122.820 0.009 0.000 1.854 653 A HA 0.228 4.545 4.320 -0.005 0.000 0.214 653 A C 2.428 180.017 177.584 0.009 0.000 1.192 653 A CA 2.182 54.224 52.037 0.009 0.000 0.611 653 A CB -1.175 17.831 19.000 0.010 0.000 0.832 653 A HN 1.272 nan 8.150 nan 0.000 0.442 654 L N -1.366 119.864 121.223 0.011 0.000 2.275 654 L HA 0.041 4.378 4.340 -0.005 0.000 0.215 654 L C 2.457 179.332 176.870 0.008 0.000 1.119 654 L CA 2.545 57.393 54.840 0.012 0.000 0.790 654 L CB -1.742 40.327 42.059 0.016 0.000 0.919 654 L HN 0.424 nan 8.230 nan 0.000 0.443 655 S N -0.854 114.850 115.700 0.007 0.000 2.603 655 S HA 0.052 4.519 4.470 -0.005 0.000 0.220 655 S C 1.889 176.491 174.600 0.004 0.000 0.967 655 S CA 1.093 59.296 58.200 0.005 0.000 0.920 655 S CB -0.092 63.112 63.200 0.006 0.000 0.773 655 S HN 1.023 nan 8.310 nan 0.000 0.529 656 S N -0.983 114.719 115.700 0.003 0.000 2.648 656 S HA 0.323 4.790 4.470 -0.005 0.000 0.270 656 S C 0.083 174.683 174.600 0.000 0.000 1.080 656 S CA 0.212 58.413 58.200 0.002 0.000 1.159 656 S CB -0.085 63.117 63.200 0.003 0.000 1.091 656 S HN 0.385 nan 8.310 nan 0.000 0.605 657 D N 1.502 121.902 120.400 0.000 0.000 2.433 657 D HA 0.712 5.349 4.640 -0.005 0.000 0.236 657 D C -0.365 175.932 176.300 -0.005 0.000 1.026 657 D CA -0.908 53.091 54.000 -0.002 0.000 0.884 657 D CB 0.834 41.634 40.800 0.000 0.000 1.384 657 D HN 0.352 nan 8.370 nan 0.000 0.477 658 L N 0.904 122.122 121.223 -0.009 0.000 2.540 658 L HA 0.493 4.830 4.340 -0.005 0.000 0.276 658 L C 1.454 178.314 176.870 -0.017 0.000 1.212 658 L CA 0.099 54.929 54.840 -0.016 0.000 0.893 658 L CB 0.289 42.335 42.059 -0.021 0.000 1.138 658 L HN 0.809 nan 8.230 nan 0.000 0.491 663 N N -0.295 118.413 118.700 0.014 0.000 2.322 663 N HA 0.404 5.142 4.740 -0.005 0.000 0.181 663 N C 2.416 177.943 175.510 0.028 0.000 1.088 663 N CA 1.472 54.532 53.050 0.016 0.000 0.885 663 N CB -0.269 38.229 38.487 0.017 0.000 1.013 663 N HN 1.422 nan 8.380 nan 0.000 0.472 664 I N 1.095 121.686 120.570 0.036 0.000 2.091 664 I HA -0.004 4.163 4.170 -0.005 0.000 0.239 664 I C 3.071 179.219 176.117 0.052 0.000 1.061 664 I CA 2.610 63.941 61.300 0.053 0.000 1.317 664 I CB -1.731 36.301 38.000 0.053 0.000 1.031 664 I HN 0.645 nan 8.210 nan 0.000 0.401 665 I N -0.215 120.369 120.570 0.024 0.000 2.151 665 I HA -0.244 3.923 4.170 -0.005 0.000 0.243 665 I C 2.858 178.978 176.117 0.005 0.000 1.080 665 I CA 3.253 64.565 61.300 0.019 0.000 1.339 665 I CB -1.647 36.341 38.000 -0.020 0.000 1.039 665 I HN 0.656 nan 8.210 nan 0.000 0.409 666 S N -0.152 115.540 115.700 -0.014 0.000 2.399 666 S HA -0.072 4.395 4.470 -0.005 0.000 0.231 666 S C 2.158 176.747 174.600 -0.018 0.000 1.022 666 S CA 2.367 60.548 58.200 -0.032 0.000 0.983 666 S CB -0.829 62.365 63.200 -0.011 0.000 0.803 666 S HN 1.226 nan 8.310 nan 0.000 0.480 667 V N 1.351 121.279 119.914 0.023 0.000 2.239 667 V HA -0.009 4.108 4.120 -0.005 0.000 0.242 667 V C 2.134 178.253 176.094 0.042 0.000 1.038 667 V CA 2.297 64.618 62.300 0.035 0.000 1.002 667 V CB -1.565 30.294 31.823 0.059 0.000 0.641 667 V HN 0.580 nan 8.190 nan 0.000 0.449 668 Y N 1.726 122.001 120.300 -0.042 0.000 2.029 668 Y HA -0.450 4.097 4.550 -0.005 0.000 0.269 668 Y C 2.910 178.784 175.900 -0.043 0.000 1.201 668 Y CA 2.874 60.949 58.100 -0.042 0.000 1.115 668 Y CB -1.002 37.417 38.460 -0.068 0.000 0.945 668 Y HN 0.614 nan 8.280 nan 0.000 0.497 669 C N -1.289 117.825 119.300 -0.311 0.000 2.440 669 C HA -0.060 4.397 4.460 -0.005 0.000 0.278 669 C C 2.702 177.623 174.990 -0.114 0.000 1.295 669 C CA 1.055 59.796 59.018 -0.462 0.000 1.738 669 C CB -1.524 25.651 27.740 -0.940 0.000 1.987 669 C HN 0.578 nan 8.230 nan 0.000 0.492 670 S N 1.312 116.950 115.700 -0.103 0.000 2.402 670 S HA -0.010 4.457 4.470 -0.005 0.000 0.229 670 S C 2.385 176.936 174.600 -0.082 0.000 1.021 670 S CA 1.903 60.059 58.200 -0.073 0.000 0.974 670 S CB -0.723 62.450 63.200 -0.045 0.000 0.800 670 S HN 0.976 nan 8.310 nan 0.000 0.484 671 L N 1.101 122.278 121.223 -0.078 0.000 1.988 671 L HA 0.109 4.446 4.340 -0.005 0.000 0.207 671 L C 2.518 179.372 176.870 -0.025 0.000 1.071 671 L CA 1.750 56.569 54.840 -0.036 0.000 0.744 671 L CB -1.578 40.474 42.059 -0.011 0.000 0.893 671 L HN 0.304 nan 8.230 nan 0.000 0.433 672 M N 0.000 119.521 119.600 -0.133 0.000 2.195 672 M HA -0.160 4.317 4.480 -0.005 0.000 0.260 672 M C 2.587 178.868 176.300 -0.032 0.000 1.066 672 M CA 1.740 56.987 55.300 -0.088 0.000 1.089 672 M CB -1.535 30.931 32.600 -0.223 0.000 1.377 672 M HN 0.636 nan 8.290 nan 0.000 0.411 673 A N 0.624 123.362 122.820 -0.137 0.000 1.834 673 A HA -0.191 4.126 4.320 -0.005 0.000 0.216 673 A C 2.439 179.870 177.584 -0.256 0.000 1.203 673 A CA 2.344 54.093 52.037 -0.479 0.000 0.621 673 A CB -1.437 17.094 19.000 -0.782 0.000 0.841 673 A HN 0.334 nan 8.150 nan 0.000 0.446 674 I N 0.261 120.755 120.570 -0.127 0.000 2.185 674 I HA -0.220 3.947 4.170 -0.005 0.000 0.246 674 I C 2.510 178.715 176.117 0.146 0.000 1.088 674 I CA 2.109 63.443 61.300 0.056 0.000 1.347 674 I CB -1.695 36.331 38.000 0.045 0.000 1.041 674 I HN 0.542 nan 8.210 nan 0.000 0.415 675 G N 0.276 109.167 108.800 0.153 0.000 2.459 675 G HA2 -0.307 3.650 3.960 -0.005 0.000 0.217 675 G HA3 -0.307 3.650 3.960 -0.005 0.000 0.217 675 G C 1.434 176.451 174.900 0.194 0.000 1.183 675 G CA 1.012 46.219 45.100 0.178 0.000 0.776 675 G HN 0.585 nan 8.290 nan 0.000 0.552 676 N N -0.123 118.731 118.700 0.256 0.000 2.331 676 N HA -0.049 4.688 4.740 -0.005 0.000 0.180 676 N C 1.765 177.414 175.510 0.232 0.000 1.019 676 N CA 0.448 53.615 53.050 0.195 0.000 0.881 676 N CB -0.238 38.301 38.487 0.087 0.000 0.972 676 N HN 0.312 nan 8.380 nan 0.000 0.435 677 F N 2.282 122.295 119.950 0.104 0.000 2.186 677 F HA 0.010 4.534 4.527 -0.005 0.000 0.299 677 F C 2.197 178.185 175.800 0.314 0.000 1.090 677 F CA 0.659 58.775 58.000 0.194 0.000 1.307 677 F CB -0.431 38.673 39.000 0.173 0.000 1.019 677 F HN -0.020 nan 8.300 nan 0.000 0.489 678 A N 0.383 123.300 122.820 0.161 0.000 1.873 678 A HA -0.194 4.123 4.320 -0.005 0.000 0.215 678 A C 2.296 179.935 177.584 0.091 0.000 1.186 678 A CA 1.649 53.717 52.037 0.052 0.000 0.616 678 A CB -0.721 18.267 19.000 -0.020 0.000 0.823 678 A HN 0.392 nan 8.150 nan 0.000 0.442 679 K N -0.687 119.753 120.400 0.067 0.000 2.281 679 K HA -0.129 4.188 4.320 -0.005 0.000 0.203 679 K C 1.865 178.487 176.600 0.038 0.000 1.046 679 K CA 0.888 57.207 56.287 0.054 0.000 0.938 679 K CB -0.367 32.176 32.500 0.073 0.000 0.737 679 K HN 0.512 nan 8.250 nan 0.000 0.458 680 G N 0.550 109.351 108.800 0.002 0.000 2.484 680 G HA2 -0.108 3.849 3.960 -0.005 0.000 0.218 680 G HA3 -0.108 3.849 3.960 -0.005 0.000 0.218 680 G C 0.359 175.054 174.900 -0.341 0.000 1.130 680 G CA 0.215 45.223 45.100 -0.153 0.000 0.784 680 G HN 0.024 nan 8.290 nan 0.000 0.543 681 F N 1.294 121.069 119.950 -0.291 0.000 2.380 681 F HA 0.418 4.942 4.527 -0.005 0.000 0.321 681 F C -1.516 174.140 175.800 -0.240 0.000 1.103 681 F CA -2.553 55.214 58.000 -0.388 0.000 1.067 681 F CB 1.049 39.746 39.000 -0.505 0.000 1.265 681 F HN -0.165 nan 8.300 nan 0.000 0.517 682 P HA 0.095 nan 4.420 nan 0.000 0.272 682 P C -0.566 176.792 177.300 0.096 0.000 1.223 682 P CA -0.119 62.984 63.100 0.005 0.000 0.784 682 P CB 0.988 32.684 31.700 -0.007 0.000 0.923 683 A N 1.198 124.057 122.820 0.065 0.000 2.275 683 A HA 0.373 4.690 4.320 -0.005 0.000 0.212 683 A C 1.225 178.848 177.584 0.065 0.000 1.201 683 A CA 0.284 52.357 52.037 0.060 0.000 0.843 683 A CB -0.466 18.550 19.000 0.026 0.000 0.873 683 A HN 0.726 nan 8.150 nan 0.000 0.492 684 R N -0.037 120.518 120.500 0.091 0.000 2.502 684 R HA 0.635 4.972 4.340 -0.005 0.000 0.300 684 R C 0.012 176.376 176.300 0.107 0.000 0.984 684 R CA 0.011 56.154 56.100 0.072 0.000 0.882 684 R CB 0.631 30.961 30.300 0.050 0.000 1.180 684 R HN 0.948 nan 8.270 nan 0.000 0.444 688 E N 0.678 120.825 120.200 -0.089 0.000 2.442 688 E HA 0.494 4.841 4.350 -0.005 0.000 0.260 688 E C -0.063 176.379 176.600 -0.264 0.000 1.148 688 E CA -0.002 56.302 56.400 -0.159 0.000 0.976 688 E CB 0.590 30.221 29.700 -0.115 0.000 0.967 688 E HN 0.339 nan 8.360 nan 0.000 0.454 689 V N -1.096 118.574 119.914 -0.408 0.000 3.188 689 V HA 0.672 4.789 4.120 -0.005 0.000 0.305 689 V C 0.875 176.694 176.094 -0.457 0.000 1.232 689 V CA -0.024 61.849 62.300 -0.712 0.000 1.043 689 V CB 1.837 32.723 31.823 -1.561 0.000 1.068 689 V HN 1.106 nan 8.190 nan 0.000 0.439 690 A N 1.148 123.787 122.820 -0.301 0.000 2.167 690 A HA 0.120 4.437 4.320 -0.005 0.000 0.208 690 A C 1.179 178.740 177.584 -0.039 0.000 1.198 690 A CA 0.679 52.665 52.037 -0.085 0.000 0.863 690 A CB -0.160 18.880 19.000 0.067 0.000 0.904 690 A HN 1.180 nan 8.150 nan 0.000 0.484 691 W N -0.927 120.352 121.300 -0.034 0.000 3.180 691 W HA 0.371 5.028 4.660 -0.005 0.000 0.254 691 W C 1.298 177.697 176.519 -0.201 0.000 1.318 691 W CA 0.807 58.072 57.345 -0.132 0.000 1.608 691 W CB -0.525 28.805 29.460 -0.217 0.000 1.124 691 W HN 0.148 nan 8.180 nan 0.000 0.694 692 L N 1.331 122.236 121.223 -0.529 0.000 2.145 692 L HA 0.380 4.717 4.340 -0.005 0.000 0.201 692 L C 2.518 179.262 176.870 -0.210 0.000 1.075 692 L CA 1.987 56.575 54.840 -0.419 0.000 0.773 692 L CB -1.735 40.035 42.059 -0.481 0.000 0.936 692 L HN 0.301 nan 8.230 nan 0.000 0.451 693 A N 0.612 123.332 122.820 -0.167 0.000 1.908 693 A HA -0.213 4.104 4.320 -0.005 0.000 0.218 693 A C 2.813 180.365 177.584 -0.054 0.000 1.181 693 A CA 2.621 54.603 52.037 -0.092 0.000 0.627 693 A CB -1.019 17.942 19.000 -0.066 0.000 0.818 693 A HN 1.183 nan 8.150 nan 0.000 0.445 694 S N -1.392 114.288 115.700 -0.034 0.000 2.382 694 S HA -0.115 4.352 4.470 -0.005 0.000 0.228 694 S C 1.968 176.566 174.600 -0.005 0.000 1.027 694 S CA 1.634 59.839 58.200 0.009 0.000 0.991 694 S CB -1.361 61.877 63.200 0.064 0.000 0.823 694 S HN 1.118 nan 8.310 nan 0.000 0.469 695 F N 2.521 122.442 119.950 -0.048 0.000 2.293 695 F HA 0.073 4.597 4.527 -0.005 0.000 0.300 695 F C 2.507 178.285 175.800 -0.037 0.000 1.086 695 F CA 1.221 59.191 58.000 -0.050 0.000 1.375 695 F CB -1.367 37.576 39.000 -0.095 0.000 1.045 695 F HN 0.373 nan 8.300 nan 0.000 0.516 696 N N 0.794 119.467 118.700 -0.044 0.000 2.216 696 N HA -0.080 4.657 4.740 -0.005 0.000 0.183 696 N C 2.084 177.584 175.510 -0.017 0.000 1.017 696 N CA 1.871 54.901 53.050 -0.034 0.000 0.861 696 N CB -0.792 37.670 38.487 -0.042 0.000 0.986 696 N HN 0.561 nan 8.380 nan 0.000 0.428 697 K N 1.181 121.574 120.400 -0.011 0.000 2.360 697 K HA 0.187 4.504 4.320 -0.005 0.000 0.201 697 K C 2.076 178.680 176.600 0.006 0.000 1.046 697 K CA 1.219 57.506 56.287 0.000 0.000 0.945 697 K CB -0.787 31.718 32.500 0.008 0.000 0.750 697 K HN 0.311 nan 8.250 nan 0.000 0.464 698 A N 0.671 123.495 122.820 0.007 0.000 1.872 698 A HA 0.193 4.510 4.320 -0.005 0.000 0.214 698 A C 2.806 180.396 177.584 0.010 0.000 1.187 698 A CA 2.154 54.200 52.037 0.014 0.000 0.614 698 A CB -0.766 18.246 19.000 0.021 0.000 0.826 698 A HN 0.781 nan 8.150 nan 0.000 0.442 699 S N -0.747 114.956 115.700 0.004 0.000 2.527 699 S HA 0.234 4.701 4.470 -0.005 0.000 0.222 699 S C 1.558 176.161 174.600 0.004 0.000 0.985 699 S CA 1.381 59.584 58.200 0.005 0.000 0.921 699 S CB -0.894 62.308 63.200 0.004 0.000 0.772 699 S HN 0.711 nan 8.310 nan 0.000 0.529 700 D N 0.598 121.000 120.400 0.003 0.000 2.144 700 D HA 0.145 4.782 4.640 -0.005 0.000 0.200 700 D C 1.913 178.216 176.300 0.005 0.000 0.978 700 D CA 1.779 55.781 54.000 0.002 0.000 0.833 700 D CB -0.918 39.883 40.800 0.001 0.000 0.961 700 D HN 0.707 nan 8.370 nan 0.000 0.470 701 E N -0.763 119.441 120.200 0.007 0.000 2.371 701 E HA 0.359 4.706 4.350 -0.005 0.000 0.194 701 E C 2.227 178.833 176.600 0.010 0.000 1.012 701 E CA 1.076 57.481 56.400 0.008 0.000 0.860 701 E CB -0.968 28.738 29.700 0.009 0.000 0.811 701 E HN 1.098 nan 8.360 nan 0.000 0.502 702 I N -0.780 119.797 120.570 0.011 0.000 2.480 702 I HA 0.352 4.519 4.170 -0.005 0.000 0.251 702 I C 2.783 178.906 176.117 0.010 0.000 1.124 702 I CA 1.753 63.061 61.300 0.013 0.000 1.444 702 I CB -1.560 36.448 38.000 0.015 0.000 1.098 702 I HN 0.642 nan 8.210 nan 0.000 0.428 703 F N 0.524 120.478 119.950 0.006 0.000 2.367 703 F HA 0.295 4.819 4.527 -0.005 0.000 0.298 703 F C 2.674 178.477 175.800 0.006 0.000 1.094 703 F CA 1.915 59.917 58.000 0.003 0.000 1.409 703 F CB -1.057 37.943 39.000 0.000 0.000 1.064 703 F HN 0.642 nan 8.300 nan 0.000 0.528 704 L N 0.690 121.917 121.223 0.007 0.000 2.072 704 L HA 0.168 4.505 4.340 -0.005 0.000 0.205 704 L C 2.791 179.668 176.870 0.012 0.000 1.079 704 L CA 2.334 57.179 54.840 0.008 0.000 0.752 704 L CB -2.126 39.938 42.059 0.008 0.000 0.906 704 L HN 0.857 nan 8.230 nan 0.000 0.436 705 I N -1.040 119.538 120.570 0.014 0.000 2.546 705 I HA 0.253 4.420 4.170 -0.005 0.000 0.255 705 I C 2.767 178.898 176.117 0.024 0.000 1.163 705 I CA 2.403 63.715 61.300 0.020 0.000 1.457 705 I CB -1.394 36.618 38.000 0.021 0.000 1.092 705 I HN 0.737 nan 8.210 nan 0.000 0.434 706 L N 0.461 121.694 121.223 0.018 0.000 2.102 706 L HA 0.099 4.436 4.340 -0.005 0.000 0.202 706 L C 2.487 179.370 176.870 0.021 0.000 1.076 706 L CA 2.648 57.498 54.840 0.017 0.000 0.761 706 L CB -2.089 39.971 42.059 0.003 0.000 0.921 706 L HN 0.655 nan 8.230 nan 0.000 0.444 707 D N -0.385 120.024 120.400 0.015 0.000 2.263 707 D HA -0.117 4.520 4.640 -0.005 0.000 0.208 707 D C 2.354 178.667 176.300 0.021 0.000 0.971 707 D CA 1.752 55.761 54.000 0.016 0.000 0.867 707 D CB -0.472 40.333 40.800 0.009 0.000 0.929 707 D HN 0.657 nan 8.370 nan 0.000 0.492 708 R N -1.669 118.844 120.500 0.022 0.000 2.055 708 R HA 0.499 4.836 4.340 -0.005 0.000 0.226 708 R C 1.849 178.168 176.300 0.032 0.000 1.135 708 R CA 1.339 57.452 56.100 0.022 0.000 0.959 708 R CB -1.164 29.148 30.300 0.019 0.000 0.854 708 R HN 1.174 nan 8.270 nan 0.000 0.431 709 M N 0.842 120.471 119.600 0.048 0.000 2.032 709 M HA 0.723 5.200 4.480 -0.005 0.000 0.221 709 M C 0.557 176.919 176.300 0.102 0.000 0.941 709 M CA -0.092 55.255 55.300 0.078 0.000 0.895 709 M CB 1.264 33.906 32.600 0.071 0.000 2.146 709 M HN 0.499 nan 8.290 nan 0.000 0.366 710 G N -0.614 108.248 108.800 0.103 0.000 3.936 710 G HA2 0.405 4.362 3.960 -0.005 0.000 0.296 710 G HA3 0.405 4.362 3.960 -0.005 0.000 0.296 710 G C 0.641 175.594 174.900 0.089 0.000 1.121 710 G CA 0.575 45.721 45.100 0.077 0.000 0.899 710 G HN 1.132 nan 8.290 nan 0.000 0.542 711 F N 0.753 120.699 119.950 -0.006 0.000 2.234 711 F HA 0.244 4.768 4.527 -0.005 0.000 0.296 711 F C 0.757 176.549 175.800 -0.013 0.000 1.089 711 F CA -0.155 57.839 58.000 -0.010 0.000 1.343 711 F CB 0.076 39.070 39.000 -0.010 0.000 1.040 711 F HN 0.106 nan 8.300 nan 0.000 0.498 712 N N 1.233 119.575 118.700 -0.597 0.000 2.497 712 N HA 0.001 4.738 4.740 -0.005 0.000 0.271 712 N C 1.269 176.552 175.510 -0.379 0.000 1.142 712 N CA 0.759 53.403 53.050 -0.676 0.000 0.965 712 N CB 1.217 39.540 38.487 -0.274 0.000 1.077 712 N HN 0.393 nan 8.380 nan 0.000 0.462 713 E N 1.640 121.615 120.200 -0.375 0.000 2.219 713 E HA -0.222 4.125 4.350 -0.005 0.000 0.198 713 E C 0.535 177.042 176.600 -0.154 0.000 0.998 713 E CA 1.718 57.986 56.400 -0.220 0.000 0.818 713 E CB -0.573 29.014 29.700 -0.188 0.000 0.741 713 E HN 0.675 nan 8.360 nan 0.000 0.477 714 D N 0.585 120.872 120.400 -0.188 0.000 2.103 714 D HA 0.041 4.678 4.640 -0.005 0.000 0.199 714 D C 2.095 178.390 176.300 -0.008 0.000 0.978 714 D CA 1.235 55.120 54.000 -0.191 0.000 0.829 714 D CB -0.427 40.122 40.800 -0.419 0.000 0.981 714 D HN 0.393 nan 8.370 nan 0.000 0.464 715 I N 1.135 121.710 120.570 0.008 0.000 2.454 715 I HA -0.204 3.963 4.170 -0.005 0.000 0.254 715 I C 2.408 178.562 176.117 0.062 0.000 1.156 715 I CA 0.754 62.114 61.300 0.100 0.000 1.433 715 I CB 0.060 38.098 38.000 0.063 0.000 1.082 715 I HN -0.068 nan 8.210 nan 0.000 0.432 716 R N 0.283 120.780 120.500 -0.006 0.000 2.070 716 R HA -0.126 4.211 4.340 -0.005 0.000 0.232 716 R C 2.402 178.722 176.300 0.034 0.000 1.138 716 R CA 1.633 57.722 56.100 -0.018 0.000 0.936 716 R CB -1.322 28.941 30.300 -0.062 0.000 0.839 716 R HN 0.433 nan 8.270 nan 0.000 0.429 717 G N 1.344 110.179 108.800 0.058 0.000 2.514 717 G HA2 -0.330 3.627 3.960 -0.005 0.000 0.217 717 G HA3 -0.330 3.627 3.960 -0.005 0.000 0.217 717 G C 1.679 176.711 174.900 0.220 0.000 1.198 717 G CA 1.363 46.538 45.100 0.125 0.000 0.780 717 G HN 0.452 nan 8.290 nan 0.000 0.565 718 A N -0.161 122.814 122.820 0.257 0.000 1.903 718 A HA -0.080 4.237 4.320 -0.005 0.000 0.219 718 A C 2.662 180.414 177.584 0.280 0.000 1.191 718 A CA 2.586 54.784 52.037 0.269 0.000 0.638 718 A CB -0.867 18.273 19.000 0.235 0.000 0.823 718 A HN 0.389 nan 8.150 nan 0.000 0.451 719 V N 0.210 120.226 119.914 0.169 0.000 2.307 719 V HA -0.279 3.838 4.120 -0.005 0.000 0.245 719 V C 2.603 178.750 176.094 0.089 0.000 1.045 719 V CA 2.214 64.576 62.300 0.104 0.000 1.024 719 V CB -0.989 30.860 31.823 0.043 0.000 0.651 719 V HN 0.620 nan 8.190 nan 0.000 0.449 720 R N 0.221 120.757 120.500 0.060 0.000 2.094 720 R HA -0.237 4.100 4.340 -0.005 0.000 0.239 720 R C 2.299 178.746 176.300 0.245 0.000 1.137 720 R CA 2.230 58.327 56.100 -0.004 0.000 0.943 720 R CB -1.054 29.238 30.300 -0.013 0.000 0.850 720 R HN 0.514 nan 8.270 nan 0.000 0.433 721 F N 2.484 122.521 119.950 0.146 0.000 2.120 721 F HA -0.232 4.292 4.527 -0.005 0.000 0.300 721 F C 1.971 177.849 175.800 0.131 0.000 1.095 721 F CA 2.002 60.093 58.000 0.152 0.000 1.249 721 F CB -0.524 38.540 39.000 0.107 0.000 0.995 721 F HN -0.105 nan 8.300 nan 0.000 0.480 722 T N 0.133 114.678 114.554 -0.014 0.000 2.720 722 T HA -0.200 4.147 4.350 -0.005 0.000 0.268 722 T C 2.105 176.726 174.700 -0.132 0.000 1.037 722 T CA 1.857 63.868 62.100 -0.147 0.000 1.144 722 T CB -0.592 68.306 68.868 0.051 0.000 0.864 722 T HN 0.418 nan 8.240 nan 0.000 0.444 723 S N 1.370 117.088 115.700 0.030 0.000 2.383 723 S HA -0.022 4.445 4.470 -0.005 0.000 0.227 723 S C 2.475 177.110 174.600 0.058 0.000 1.026 723 S CA 0.959 59.224 58.200 0.109 0.000 0.981 723 S CB -1.089 62.289 63.200 0.295 0.000 0.818 723 S HN 0.601 nan 8.310 nan 0.000 0.472 724 G N 2.159 110.996 108.800 0.063 0.000 2.469 724 G HA2 -0.218 3.740 3.960 -0.005 0.000 0.219 724 G HA3 -0.218 3.740 3.960 -0.005 0.000 0.219 724 G C 1.545 176.337 174.900 -0.179 0.000 1.150 724 G CA 0.618 45.657 45.100 -0.103 0.000 0.763 724 G HN 0.313 nan 8.290 nan 0.000 0.561 725 R N -0.570 119.754 120.500 -0.293 0.000 2.334 725 R HA 0.396 4.733 4.340 -0.005 0.000 0.212 725 R C 2.250 178.460 176.300 -0.150 0.000 0.897 725 R CA -0.157 55.805 56.100 -0.230 0.000 1.056 725 R CB -0.124 29.989 30.300 -0.312 0.000 1.046 725 R HN 0.420 nan 8.270 nan 0.000 0.513 726 I N 0.309 120.795 120.570 -0.139 0.000 2.296 726 I HA -0.089 4.078 4.170 -0.005 0.000 0.242 726 I C 1.787 177.874 176.117 -0.051 0.000 1.087 726 I CA 1.029 62.281 61.300 -0.080 0.000 1.393 726 I CB -0.025 37.941 38.000 -0.056 0.000 1.093 726 I HN -0.047 nan 8.210 nan 0.000 0.421 727 I N 1.375 121.923 120.570 -0.037 0.000 2.916 727 I HA -0.225 3.942 4.170 -0.005 0.000 0.267 727 I C 2.039 178.136 176.117 -0.033 0.000 1.263 727 I CA 0.563 61.849 61.300 -0.023 0.000 1.471 727 I CB -0.549 37.453 38.000 0.003 0.000 1.089 727 I HN 0.329 nan 8.210 nan 0.000 0.468 728 N N 1.121 119.794 118.700 -0.045 0.000 2.331 728 N HA -0.078 4.659 4.740 -0.005 0.000 0.180 728 N C 0.426 175.937 175.510 0.001 0.000 1.019 728 N CA 0.753 53.783 53.050 -0.033 0.000 0.881 728 N CB 0.222 38.683 38.487 -0.042 0.000 0.972 728 N HN 0.044 nan 8.380 nan 0.000 0.435 729 V N 1.489 121.407 119.914 0.008 0.000 2.350 729 V HA 0.504 4.621 4.120 -0.005 0.000 0.276 729 V C 0.654 176.760 176.094 0.019 0.000 1.028 729 V CA -0.155 62.182 62.300 0.062 0.000 0.860 729 V CB 0.490 32.366 31.823 0.089 0.000 0.990 729 V HN 0.266 nan 8.190 nan 0.000 0.453 730 V N 4.200 124.121 119.914 0.012 0.000 6.241 730 V HA -0.194 3.923 4.120 -0.005 0.000 0.296 730 V C 1.339 177.412 176.094 -0.034 0.000 0.558 730 V CA 1.361 63.635 62.300 -0.043 0.000 0.647 730 V CB -1.548 30.215 31.823 -0.100 0.000 0.380 730 V HN 1.011 nan 8.190 nan 0.000 0.685 731 G N 1.460 110.247 108.800 -0.020 0.000 2.430 731 G HA2 0.103 4.060 3.960 -0.005 0.000 0.216 731 G HA3 0.103 4.060 3.960 -0.005 0.000 0.216 731 G C 0.221 175.110 174.900 -0.019 0.000 1.146 731 G CA 1.129 46.217 45.100 -0.020 0.000 0.793 731 G HN 0.807 nan 8.290 nan 0.000 0.537 732 P HA -0.102 nan 4.420 nan 0.000 0.214 732 P C 1.375 178.663 177.300 -0.020 0.000 1.163 732 P CA 2.305 65.393 63.100 -0.020 0.000 0.889 732 P CB -0.419 31.266 31.700 -0.024 0.000 0.790 733 D N -0.595 119.788 120.400 -0.029 0.000 2.224 733 D HA 0.020 4.657 4.640 -0.005 0.000 0.205 733 D C 2.257 178.546 176.300 -0.017 0.000 0.965 733 D CA 2.383 56.367 54.000 -0.028 0.000 0.852 733 D CB -1.031 39.744 40.800 -0.042 0.000 0.947 733 D HN 0.231 nan 8.370 nan 0.000 0.494 734 M N 0.143 119.734 119.600 -0.014 0.000 2.288 734 M HA 0.474 4.951 4.480 -0.005 0.000 0.266 734 M C 3.005 179.316 176.300 0.018 0.000 1.072 734 M CA 1.718 57.018 55.300 0.000 0.000 1.132 734 M CB -1.687 30.913 32.600 0.001 0.000 1.386 734 M HN 1.006 nan 8.290 nan 0.000 0.432 735 L N 0.071 121.303 121.223 0.015 0.000 2.197 735 L HA -0.106 4.231 4.340 -0.005 0.000 0.215 735 L C 0.791 177.679 176.870 0.030 0.000 1.095 735 L CA 2.837 57.693 54.840 0.027 0.000 0.764 735 L CB -3.084 38.984 42.059 0.014 0.000 0.897 735 L HN 0.582 nan 8.230 nan 0.000 0.436 736 P HA -0.094 nan 4.420 nan 0.000 0.219 736 P C 1.275 178.586 177.300 0.018 0.000 1.150 736 P CA 1.435 64.544 63.100 0.015 0.000 0.814 736 P CB -0.102 31.602 31.700 0.005 0.000 0.787 737 K N -0.956 119.456 120.400 0.020 0.000 2.379 737 K HA 0.158 4.475 4.320 -0.005 0.000 0.194 737 K C 2.107 178.723 176.600 0.026 0.000 1.031 737 K CA 0.460 56.758 56.287 0.018 0.000 1.037 737 K CB -0.800 31.707 32.500 0.012 0.000 0.824 737 K HN -0.010 nan 8.250 nan 0.000 0.516 738 V N 2.749 122.693 119.914 0.049 0.000 2.546 738 V HA -0.208 3.909 4.120 -0.005 0.000 0.254 738 V C -0.202 175.915 176.094 0.038 0.000 1.076 738 V CA 1.740 64.083 62.300 0.071 0.000 1.087 738 V CB -1.642 30.268 31.823 0.145 0.000 0.674 738 V HN 0.147 nan 8.190 nan 0.000 0.470 739 P HA -0.249 nan 4.420 nan 0.000 0.216 739 P C 1.762 179.060 177.300 -0.003 0.000 1.153 739 P CA 2.767 65.876 63.100 0.015 0.000 0.858 739 P CB -0.114 31.594 31.700 0.014 0.000 0.789 740 Q N 0.051 119.849 119.800 -0.004 0.000 2.224 740 Q HA 0.003 4.340 4.340 -0.005 0.000 0.203 740 Q C 2.610 178.594 176.000 -0.027 0.000 0.970 740 Q CA 2.200 57.996 55.803 -0.012 0.000 0.865 740 Q CB -1.925 26.809 28.738 -0.007 0.000 0.922 740 Q HN 0.338 nan 8.270 nan 0.000 0.445 741 L N 0.030 121.230 121.223 -0.038 0.000 2.044 741 L HA 0.228 4.565 4.340 -0.005 0.000 0.205 741 L C 3.170 179.986 176.870 -0.089 0.000 1.075 741 L CA 2.583 57.377 54.840 -0.076 0.000 0.747 741 L CB -1.992 39.995 42.059 -0.120 0.000 0.903 741 L HN 0.887 nan 8.230 nan 0.000 0.435 742 I N 0.012 120.536 120.570 -0.077 0.000 2.194 742 I HA -0.168 3.999 4.170 -0.005 0.000 0.246 742 I C 3.030 179.112 176.117 -0.059 0.000 1.093 742 I CA 3.396 64.653 61.300 -0.073 0.000 1.355 742 I CB -1.677 36.298 38.000 -0.042 0.000 1.046 742 I HN 0.782 nan 8.210 nan 0.000 0.413 743 S N 0.469 116.144 115.700 -0.042 0.000 2.343 743 S HA -0.011 4.456 4.470 -0.005 0.000 0.219 743 S C 2.517 177.098 174.600 -0.032 0.000 1.033 743 S CA 3.382 61.563 58.200 -0.032 0.000 1.014 743 S CB -1.165 62.022 63.200 -0.021 0.000 0.915 743 S HN 1.684 nan 8.310 nan 0.000 0.435 744 I N 1.062 121.613 120.570 -0.032 0.000 2.286 744 I HA 0.303 4.470 4.170 -0.005 0.000 0.248 744 I C 3.023 179.118 176.117 -0.036 0.000 1.115 744 I CA 2.146 63.431 61.300 -0.027 0.000 1.392 744 I CB -1.932 36.054 38.000 -0.023 0.000 1.065 744 I HN 0.689 nan 8.210 nan 0.000 0.418 745 L N -0.796 120.392 121.223 -0.058 0.000 2.109 745 L HA 0.218 4.555 4.340 -0.005 0.000 0.207 745 L C 2.469 179.302 176.870 -0.061 0.000 1.086 745 L CA 1.939 56.736 54.840 -0.072 0.000 0.760 745 L CB -1.465 40.525 42.059 -0.115 0.000 0.910 745 L HN 0.627 nan 8.230 nan 0.000 0.437 746 L N 0.438 121.627 121.223 -0.057 0.000 2.554 746 L HA 0.048 4.385 4.340 -0.005 0.000 0.226 746 L C 2.948 179.798 176.870 -0.034 0.000 1.137 746 L CA 0.821 55.630 54.840 -0.050 0.000 0.863 746 L CB -1.373 40.653 42.059 -0.056 0.000 0.985 746 L HN 0.661 nan 8.230 nan 0.000 0.451 747 N N 0.418 119.102 118.700 -0.026 0.000 2.135 747 N HA -0.106 4.631 4.740 -0.005 0.000 0.186 747 N C 1.993 177.499 175.510 -0.007 0.000 1.027 747 N CA 1.548 54.590 53.050 -0.013 0.000 0.849 747 N CB -0.533 37.949 38.487 -0.007 0.000 1.002 747 N HN 0.466 nan 8.380 nan 0.000 0.425 748 S N -0.555 115.140 115.700 -0.008 0.000 2.556 748 S HA 0.605 5.072 4.470 -0.005 0.000 0.216 748 S C 1.207 175.796 174.600 -0.018 0.000 0.970 748 S CA 0.323 58.523 58.200 -0.000 0.000 0.912 748 S CB -1.168 62.040 63.200 0.014 0.000 0.790 748 S HN 1.117 nan 8.310 nan 0.000 0.504 749 I N 1.494 122.047 120.570 -0.029 0.000 2.919 749 I HA 0.413 4.580 4.170 -0.005 0.000 0.303 749 I C 0.464 176.564 176.117 -0.029 0.000 1.221 749 I CA 0.323 61.600 61.300 -0.037 0.000 1.444 749 I CB -1.207 36.767 38.000 -0.042 0.000 1.331 749 I HN 0.588 nan 8.210 nan 0.000 0.572 750 D N 2.927 123.307 120.400 -0.034 0.000 2.569 750 D HA 0.825 5.462 4.640 -0.005 0.000 0.266 750 D C 1.312 177.597 176.300 -0.024 0.000 1.164 750 D CA 0.472 54.456 54.000 -0.027 0.000 1.071 750 D CB 1.145 41.925 40.800 -0.033 0.000 1.183 750 D HN 1.969 nan 8.370 nan 0.000 0.613 751 M N -0.658 118.931 119.600 -0.018 0.000 2.159 751 M HA 0.064 4.541 4.480 -0.005 0.000 0.263 751 M C 2.185 178.476 176.300 -0.015 0.000 1.063 751 M CA 2.963 58.255 55.300 -0.015 0.000 1.110 751 M CB -2.206 30.388 32.600 -0.010 0.000 1.374 751 M HN 1.027 nan 8.290 nan 0.000 0.411 752 N N 0.602 119.291 118.700 -0.018 0.000 2.354 752 N HA 0.197 4.934 4.740 -0.005 0.000 0.179 752 N C 1.797 177.298 175.510 -0.016 0.000 1.021 752 N CA 2.120 55.161 53.050 -0.016 0.000 0.887 752 N CB -0.671 37.804 38.487 -0.020 0.000 0.974 752 N HN 0.909 nan 8.380 nan 0.000 0.437 753 E N -0.455 119.730 120.200 -0.025 0.000 2.400 753 E HA 0.533 4.880 4.350 -0.005 0.000 0.195 753 E C 2.394 178.980 176.600 -0.025 0.000 1.012 753 E CA 0.715 57.100 56.400 -0.026 0.000 0.875 753 E CB -1.186 28.488 29.700 -0.043 0.000 0.859 753 E HN 0.940 nan 8.360 nan 0.000 0.498 754 L N 0.256 121.462 121.223 -0.029 0.000 2.265 754 L HA 0.065 4.402 4.340 -0.005 0.000 0.215 754 L C 2.859 179.711 176.870 -0.029 0.000 1.117 754 L CA 2.108 56.925 54.840 -0.038 0.000 0.782 754 L CB -1.099 40.936 42.059 -0.041 0.000 0.914 754 L HN 0.434 nan 8.230 nan 0.000 0.441 755 V N -0.789 119.120 119.914 -0.007 0.000 2.535 755 V HA -0.157 3.960 4.120 -0.005 0.000 0.246 755 V C 2.253 178.372 176.094 0.042 0.000 1.045 755 V CA 1.439 63.748 62.300 0.014 0.000 1.058 755 V CB -0.601 31.235 31.823 0.020 0.000 0.689 755 V HN 0.676 nan 8.190 nan 0.000 0.461 756 D N 0.303 120.729 120.400 0.042 0.000 2.350 756 D HA -0.073 4.564 4.640 -0.005 0.000 0.216 756 D C 1.980 178.347 176.300 0.112 0.000 0.968 756 D CA 0.861 54.908 54.000 0.078 0.000 0.894 756 D CB 0.259 41.095 40.800 0.060 0.000 0.909 756 D HN 0.364 nan 8.370 nan 0.000 0.520 757 V N 0.668 120.618 119.914 0.060 0.000 2.599 757 V HA -0.092 4.025 4.120 -0.005 0.000 0.245 757 V C 2.565 178.735 176.094 0.127 0.000 1.046 757 V CA 0.583 62.923 62.300 0.066 0.000 1.065 757 V CB -0.200 31.603 31.823 -0.033 0.000 0.703 757 V HN 0.162 nan 8.190 nan 0.000 0.464 758 L N 0.086 121.342 121.223 0.055 0.000 1.994 758 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 758 L C 2.728 179.739 176.870 0.234 0.000 1.071 758 L CA 1.991 56.873 54.840 0.069 0.000 0.745 758 L CB -1.031 41.043 42.059 0.025 0.000 0.892 758 L HN 0.386 nan 8.230 nan 0.000 0.431 759 S N 0.001 115.814 115.700 0.188 0.000 2.374 759 S HA -0.268 4.199 4.470 -0.005 0.000 0.227 759 S C 1.997 176.709 174.600 0.187 0.000 1.037 759 S CA 1.602 59.907 58.200 0.175 0.000 1.024 759 S CB -0.449 62.836 63.200 0.141 0.000 0.861 759 S HN 0.408 nan 8.310 nan 0.000 0.456 760 F N 1.255 121.256 119.950 0.086 0.000 2.171 760 F HA -0.048 4.476 4.527 -0.005 0.000 0.300 760 F C 2.362 178.216 175.800 0.091 0.000 1.090 760 F CA 1.669 59.715 58.000 0.076 0.000 1.293 760 F CB -0.492 38.541 39.000 0.056 0.000 1.013 760 F HN 0.240 nan 8.300 nan 0.000 0.486 761 I N -1.254 119.500 120.570 0.307 0.000 2.333 761 I HA -0.117 4.050 4.170 -0.005 0.000 0.246 761 I C 2.614 178.817 176.117 0.142 0.000 1.106 761 I CA 1.645 63.093 61.300 0.247 0.000 1.411 761 I CB -0.568 37.682 38.000 0.416 0.000 1.082 761 I HN 0.482 nan 8.210 nan 0.000 0.420 762 S N 0.157 115.980 115.700 0.206 0.000 2.351 762 S HA -0.306 4.161 4.470 -0.005 0.000 0.220 762 S C 2.398 177.030 174.600 0.053 0.000 1.035 762 S CA 2.765 61.028 58.200 0.106 0.000 1.031 762 S CB -0.839 62.456 63.200 0.158 0.000 0.928 762 S HN 0.918 nan 8.310 nan 0.000 0.433 763 Q N 0.750 120.574 119.800 0.039 0.000 2.181 763 Q HA 0.058 4.395 4.340 -0.005 0.000 0.205 763 Q C 2.267 178.237 176.000 -0.049 0.000 0.980 763 Q CA 1.706 57.517 55.803 0.013 0.000 0.862 763 Q CB -1.040 27.678 28.738 -0.033 0.000 0.905 763 Q HN 0.744 nan 8.270 nan 0.000 0.429 764 L N -0.379 120.749 121.223 -0.159 0.000 2.072 764 L HA -0.097 4.240 4.340 -0.005 0.000 0.205 764 L C 3.034 179.855 176.870 -0.083 0.000 1.079 764 L CA 1.320 56.033 54.840 -0.213 0.000 0.752 764 L CB -0.500 41.346 42.059 -0.355 0.000 0.906 764 L HN 0.579 nan 8.230 nan 0.000 0.436 765 I N -1.751 118.788 120.570 -0.052 0.000 2.335 765 I HA -0.342 3.825 4.170 -0.005 0.000 0.251 765 I C 2.524 178.598 176.117 -0.071 0.000 1.129 765 I CA 1.951 63.208 61.300 -0.072 0.000 1.402 765 I CB -1.430 36.493 38.000 -0.128 0.000 1.069 765 I HN 0.378 nan 8.210 nan 0.000 0.424 766 H N -0.070 118.956 119.070 -0.072 0.000 2.353 766 H HA -0.155 4.398 4.556 -0.005 0.000 0.300 766 H C 2.643 177.939 175.328 -0.053 0.000 1.090 766 H CA 2.519 58.532 56.048 -0.058 0.000 1.327 766 H CB -0.153 29.578 29.762 -0.052 0.000 1.383 766 H HN 0.548 nan 8.280 nan 0.000 0.508 767 I N -0.078 120.535 120.570 0.071 0.000 2.202 767 I HA -0.126 4.041 4.170 -0.005 0.000 0.242 767 I C 1.317 177.433 176.117 -0.001 0.000 1.091 767 I CA 1.899 63.209 61.300 0.016 0.000 1.368 767 I CB -1.419 36.564 38.000 -0.028 0.000 1.058 767 I HN 0.376 nan 8.210 nan 0.000 0.410 768 Y N -0.258 120.032 120.300 -0.016 0.000 2.638 768 Y HA 0.771 5.318 4.550 -0.005 0.000 0.367 768 Y C 1.488 177.371 175.900 -0.028 0.000 1.001 768 Y CA 0.082 58.170 58.100 -0.019 0.000 1.133 768 Y CB -0.540 37.908 38.460 -0.020 0.000 1.199 768 Y HN 0.568 nan 8.280 nan 0.000 0.642 769 K N -0.265 120.115 120.400 -0.034 0.000 2.009 769 K HA -0.150 4.167 4.320 -0.005 0.000 0.210 769 K C 1.750 178.324 176.600 -0.043 0.000 1.049 769 K CA 2.490 58.744 56.287 -0.055 0.000 0.929 769 K CB -1.567 30.896 32.500 -0.062 0.000 0.714 769 K HN 1.131 nan 8.250 nan 0.000 0.440 770 D N 0.915 121.298 120.400 -0.029 0.000 2.123 770 D HA -0.125 4.512 4.640 -0.005 0.000 0.200 770 D C 1.831 178.122 176.300 -0.015 0.000 0.976 770 D CA 1.116 55.103 54.000 -0.021 0.000 0.831 770 D CB -0.322 40.468 40.800 -0.016 0.000 0.974 770 D HN 0.523 nan 8.370 nan 0.000 0.469 771 N N -0.944 117.749 118.700 -0.013 0.000 2.280 771 N HA 0.163 4.900 4.740 -0.005 0.000 0.192 771 N C 1.900 177.409 175.510 -0.001 0.000 1.109 771 N CA 0.919 53.965 53.050 -0.006 0.000 0.855 771 N CB 0.800 39.283 38.487 -0.006 0.000 0.974 771 N HN 0.616 nan 8.380 nan 0.000 0.482 772 M N -0.293 119.304 119.600 -0.004 0.000 2.334 772 M HA 0.156 4.633 4.480 -0.005 0.000 0.266 772 M C 2.193 178.502 176.300 0.016 0.000 1.082 772 M CA 0.845 56.150 55.300 0.008 0.000 1.141 772 M CB -0.877 31.724 32.600 0.003 0.000 1.380 772 M HN -0.014 nan 8.290 nan 0.000 0.440 773 M N 1.185 120.788 119.600 0.005 0.000 2.147 773 M HA -0.255 4.222 4.480 -0.005 0.000 0.253 773 M C 2.281 178.594 176.300 0.021 0.000 1.075 773 M CA 2.785 58.091 55.300 0.010 0.000 1.085 773 M CB -2.027 30.574 32.600 0.002 0.000 1.305 773 M HN 0.731 nan 8.290 nan 0.000 0.409 774 E N 0.030 120.242 120.200 0.018 0.000 2.118 774 E HA -0.052 4.295 4.350 -0.005 0.000 0.195 774 E C 2.146 178.760 176.600 0.023 0.000 0.992 774 E CA 2.200 58.612 56.400 0.020 0.000 0.804 774 E CB -1.492 28.217 29.700 0.016 0.000 0.741 774 E HN 0.614 nan 8.360 nan 0.000 0.458 775 I N 0.195 120.782 120.570 0.028 0.000 2.928 775 I HA 0.047 4.214 4.170 -0.005 0.000 0.266 775 I C 2.752 178.894 176.117 0.042 0.000 1.234 775 I CA 2.035 63.355 61.300 0.032 0.000 1.483 775 I CB -1.094 36.929 38.000 0.038 0.000 1.097 775 I HN 0.387 nan 8.210 nan 0.000 0.455 776 T N 0.916 115.500 114.554 0.052 0.000 2.737 776 T HA -0.152 4.195 4.350 -0.005 0.000 0.265 776 T C 1.947 176.679 174.700 0.052 0.000 1.038 776 T CA 1.845 63.992 62.100 0.078 0.000 1.144 776 T CB -0.414 68.502 68.868 0.080 0.000 0.866 776 T HN 0.712 nan 8.240 nan 0.000 0.434 777 N N 0.949 119.668 118.700 0.031 0.000 2.364 777 N HA -0.078 4.659 4.740 -0.005 0.000 0.183 777 N C 1.894 177.397 175.510 -0.012 0.000 1.022 777 N CA 0.683 53.738 53.050 0.008 0.000 0.883 777 N CB -0.225 38.272 38.487 0.015 0.000 0.965 777 N HN 0.453 nan 8.380 nan 0.000 0.438 778 R N 0.913 121.412 120.500 -0.001 0.000 2.062 778 R HA -0.033 4.305 4.340 -0.005 0.000 0.226 778 R C 2.576 178.856 176.300 -0.033 0.000 1.125 778 R CA 1.581 57.673 56.100 -0.013 0.000 0.966 778 R CB -0.291 30.009 30.300 -0.000 0.000 0.861 778 R HN 0.116 nan 8.270 nan 0.000 0.433 779 M N 1.011 120.599 119.600 -0.020 0.000 2.067 779 M HA -0.005 4.472 4.480 -0.005 0.000 0.260 779 M C 2.457 178.703 176.300 -0.090 0.000 1.069 779 M CA 1.905 57.180 55.300 -0.041 0.000 1.117 779 M CB -1.723 30.871 32.600 -0.010 0.000 1.334 779 M HN 0.332 nan 8.290 nan 0.000 0.407 780 L N 0.044 121.221 121.223 -0.077 0.000 2.085 780 L HA -0.267 4.070 4.340 -0.005 0.000 0.218 780 L C -0.026 176.696 176.870 -0.247 0.000 1.080 780 L CA 2.028 56.791 54.840 -0.129 0.000 0.776 780 L CB -2.174 39.839 42.059 -0.077 0.000 0.891 780 L HN 0.338 nan 8.230 nan 0.000 0.437 781 P HA -0.112 nan 4.420 nan 0.000 0.213 781 P C 1.697 178.848 177.300 -0.249 0.000 1.170 781 P CA 1.515 64.377 63.100 -0.397 0.000 0.893 781 P CB -0.041 31.519 31.700 -0.233 0.000 0.784 782 T N -1.072 113.399 114.554 -0.138 0.000 2.867 782 T HA -0.106 4.241 4.350 -0.005 0.000 0.268 782 T C 2.132 176.773 174.700 -0.098 0.000 1.057 782 T CA 1.699 63.748 62.100 -0.085 0.000 1.136 782 T CB -1.375 67.458 68.868 -0.058 0.000 0.874 782 T HN -0.043 nan 8.240 nan 0.000 0.466 783 L N 1.132 122.276 121.223 -0.132 0.000 2.005 783 L HA 0.264 4.601 4.340 -0.005 0.000 0.207 783 L C 2.657 179.443 176.870 -0.141 0.000 1.072 783 L CA 1.643 56.393 54.840 -0.150 0.000 0.744 783 L CB -1.859 40.071 42.059 -0.214 0.000 0.895 783 L HN 0.364 nan 8.230 nan 0.000 0.433 784 L N -0.248 120.875 121.223 -0.167 0.000 2.191 784 L HA -0.248 4.089 4.340 -0.005 0.000 0.212 784 L C 3.297 180.142 176.870 -0.042 0.000 1.103 784 L CA 1.647 56.413 54.840 -0.123 0.000 0.769 784 L CB -0.772 41.175 42.059 -0.186 0.000 0.908 784 L HN 0.649 nan 8.230 nan 0.000 0.438 785 M N 0.242 119.819 119.600 -0.038 0.000 2.132 785 M HA -0.086 4.391 4.480 -0.005 0.000 0.263 785 M C 2.883 179.192 176.300 0.014 0.000 1.065 785 M CA 2.634 57.962 55.300 0.047 0.000 1.122 785 M CB -2.050 30.585 32.600 0.059 0.000 1.365 785 M HN 0.379 nan 8.290 nan 0.000 0.411 786 R N 0.566 121.054 120.500 -0.020 0.000 2.090 786 R HA 0.149 4.486 4.340 -0.005 0.000 0.228 786 R C 2.092 178.378 176.300 -0.024 0.000 1.110 786 R CA 1.717 57.802 56.100 -0.024 0.000 0.973 786 R CB -1.511 28.764 30.300 -0.043 0.000 0.869 786 R HN 0.856 nan 8.270 nan 0.000 0.440 787 I N 0.112 120.660 120.570 -0.036 0.000 2.163 787 I HA -0.115 4.052 4.170 -0.005 0.000 0.240 787 I C 3.033 179.146 176.117 -0.007 0.000 1.081 787 I CA 2.039 63.320 61.300 -0.032 0.000 1.353 787 I CB -0.941 37.029 38.000 -0.051 0.000 1.054 787 I HN 0.334 nan 8.210 nan 0.000 0.407 788 F N 1.779 121.734 119.950 0.009 0.000 2.161 788 F HA -0.255 4.269 4.527 -0.005 0.000 0.300 788 F C 2.896 178.706 175.800 0.015 0.000 1.089 788 F CA 2.160 60.173 58.000 0.022 0.000 1.282 788 F CB -1.534 37.493 39.000 0.045 0.000 1.010 788 F HN 0.367 nan 8.300 nan 0.000 0.485 789 S N 0.139 115.846 115.700 0.013 0.000 2.345 789 S HA -0.040 4.427 4.470 -0.005 0.000 0.220 789 S C 2.385 176.987 174.600 0.004 0.000 1.031 789 S CA 1.701 59.907 58.200 0.009 0.000 0.996 789 S CB -1.412 61.793 63.200 0.008 0.000 0.882 789 S HN 1.292 nan 8.310 nan 0.000 0.445 790 S N 1.500 117.199 115.700 -0.001 0.000 2.419 790 S HA 0.252 4.719 4.470 -0.005 0.000 0.235 790 S C 2.122 176.722 174.600 -0.001 0.000 1.019 790 S CA 1.720 59.918 58.200 -0.004 0.000 0.982 790 S CB -1.138 62.056 63.200 -0.010 0.000 0.789 790 S HN 1.151 nan 8.310 nan 0.000 0.490 791 L N -0.783 120.441 121.223 0.001 0.000 2.591 791 L HA 0.767 5.104 4.340 -0.005 0.000 0.228 791 L C 2.385 179.259 176.870 0.006 0.000 1.133 791 L CA 1.558 56.401 54.840 0.004 0.000 0.880 791 L CB -1.597 40.466 42.059 0.006 0.000 1.033 791 L HN 0.682 nan 8.230 nan 0.000 0.450 792 S N -1.092 114.612 115.700 0.006 0.000 2.520 792 S HA 0.725 5.192 4.470 -0.005 0.000 0.219 792 S C 1.347 175.950 174.600 0.005 0.000 1.028 792 S CA 0.602 58.806 58.200 0.006 0.000 0.921 792 S CB 0.037 63.241 63.200 0.007 0.000 0.844 792 S HN 1.159 nan 8.310 nan 0.000 0.495 799 D N 0.155 120.555 120.400 0.001 0.000 2.539 799 D HA 0.491 5.128 4.640 -0.005 0.000 0.232 799 D C 1.288 177.589 176.300 0.001 0.000 1.256 799 D CA 1.637 55.637 54.000 0.000 0.000 0.810 799 D CB -0.850 39.949 40.800 -0.002 0.000 1.090 799 D HN 0.600 nan 8.370 nan 0.000 0.519 800 D N 0.516 120.917 120.400 0.002 0.000 2.106 800 D HA 0.056 4.693 4.640 -0.005 0.000 0.191 800 D C 2.435 178.737 176.300 0.004 0.000 0.997 800 D CA 2.718 56.719 54.000 0.003 0.000 0.834 800 D CB -0.667 40.135 40.800 0.003 0.000 0.956 800 D HN 0.791 nan 8.370 nan 0.000 0.448 801 A N -0.007 122.816 122.820 0.004 0.000 1.933 801 A HA 0.297 4.614 4.320 -0.005 0.000 0.218 801 A C 2.801 180.389 177.584 0.005 0.000 1.175 801 A CA 2.938 54.978 52.037 0.005 0.000 0.628 801 A CB -0.894 18.109 19.000 0.005 0.000 0.814 801 A HN 1.211 nan 8.150 nan 0.000 0.444 802 V N -0.443 119.474 119.914 0.004 0.000 2.216 802 V HA -0.079 4.038 4.120 -0.005 0.000 0.243 802 V C 2.732 178.828 176.094 0.004 0.000 1.044 802 V CA 3.979 66.281 62.300 0.004 0.000 0.995 802 V CB -1.634 30.189 31.823 0.001 0.000 0.633 802 V HN 0.609 nan 8.190 nan 0.000 0.446 803 K N -0.550 119.851 120.400 0.002 0.000 2.009 803 K HA -0.176 4.141 4.320 -0.005 0.000 0.210 803 K C 2.430 179.033 176.600 0.004 0.000 1.049 803 K CA 3.598 59.886 56.287 0.001 0.000 0.929 803 K CB -1.602 30.898 32.500 -0.001 0.000 0.714 803 K HN 1.176 nan 8.250 nan 0.000 0.440 804 Q N -0.281 119.522 119.800 0.005 0.000 2.029 804 Q HA -0.302 4.035 4.340 -0.005 0.000 0.209 804 Q C 2.511 178.517 176.000 0.010 0.000 0.999 804 Q CA 3.400 59.208 55.803 0.007 0.000 0.857 804 Q CB -2.128 26.615 28.738 0.007 0.000 0.926 804 Q HN 1.035 nan 8.270 nan 0.000 0.415 805 N N 0.910 119.616 118.700 0.010 0.000 2.043 805 N HA -0.133 4.605 4.740 -0.005 0.000 0.193 805 N C 2.093 177.612 175.510 0.016 0.000 1.037 805 N CA 3.218 56.276 53.050 0.013 0.000 0.851 805 N CB -1.606 36.888 38.487 0.012 0.000 1.027 805 N HN 0.969 nan 8.380 nan 0.000 0.422 806 D N -0.696 119.712 120.400 0.014 0.000 2.144 806 D HA 0.323 4.960 4.640 -0.005 0.000 0.200 806 D C 2.379 178.689 176.300 0.017 0.000 0.978 806 D CA 2.357 56.367 54.000 0.017 0.000 0.833 806 D CB -0.830 39.978 40.800 0.013 0.000 0.961 806 D HN 0.844 nan 8.370 nan 0.000 0.470 807 L N -0.409 120.820 121.223 0.011 0.000 2.209 807 L HA 0.495 4.832 4.340 -0.005 0.000 0.207 807 L C 3.085 179.964 176.870 0.015 0.000 1.094 807 L CA 1.873 56.718 54.840 0.008 0.000 0.790 807 L CB -1.862 40.197 42.059 0.000 0.000 0.932 807 L HN 0.708 nan 8.230 nan 0.000 0.447 808 R N 0.560 121.071 120.500 0.017 0.000 2.070 808 R HA -0.111 4.226 4.340 -0.005 0.000 0.233 808 R C 2.652 178.969 176.300 0.028 0.000 1.137 808 R CA 2.842 58.954 56.100 0.021 0.000 0.945 808 R CB -1.612 28.699 30.300 0.018 0.000 0.845 808 R HN 0.821 nan 8.270 nan 0.000 0.430 809 K N 0.165 120.583 120.400 0.030 0.000 2.288 809 K HA 0.092 4.409 4.320 -0.005 0.000 0.201 809 K C 2.342 178.973 176.600 0.051 0.000 1.048 809 K CA 1.642 57.951 56.287 0.038 0.000 0.956 809 K CB -0.656 31.865 32.500 0.034 0.000 0.746 809 K HN 0.544 nan 8.250 nan 0.000 0.461 810 S N -1.560 114.172 115.700 0.052 0.000 2.421 810 S HA 0.067 4.534 4.470 -0.005 0.000 0.224 810 S C 2.198 176.857 174.600 0.098 0.000 1.035 810 S CA 1.043 59.288 58.200 0.074 0.000 0.953 810 S CB -0.440 62.793 63.200 0.054 0.000 0.810 810 S HN 0.749 nan 8.310 nan 0.000 0.497 811 Y N 1.140 121.479 120.300 0.064 0.000 2.200 811 Y HA 0.077 4.624 4.550 -0.005 0.000 0.290 811 Y C 3.038 178.997 175.900 0.099 0.000 1.137 811 Y CA 1.687 59.831 58.100 0.073 0.000 1.163 811 Y CB -1.456 37.025 38.460 0.035 0.000 0.988 811 Y HN 0.455 nan 8.280 nan 0.000 0.518 812 I N 1.386 121.998 120.570 0.071 0.000 2.099 812 I HA -0.268 3.899 4.170 -0.005 0.000 0.239 812 I C 2.778 178.938 176.117 0.071 0.000 1.066 812 I CA 3.443 64.779 61.300 0.060 0.000 1.324 812 I CB -1.728 36.299 38.000 0.044 0.000 1.037 812 I HN 0.732 nan 8.210 nan 0.000 0.401 813 S N -0.730 115.020 115.700 0.082 0.000 2.383 813 S HA -0.206 4.261 4.470 -0.005 0.000 0.227 813 S C 2.220 176.872 174.600 0.087 0.000 1.026 813 S CA 1.569 59.815 58.200 0.076 0.000 0.981 813 S CB -1.124 62.124 63.200 0.081 0.000 0.818 813 S HN 0.876 nan 8.310 nan 0.000 0.472 814 F N 2.784 122.738 119.950 0.008 0.000 2.186 814 F HA 0.049 4.573 4.527 -0.005 0.000 0.299 814 F C 2.752 178.546 175.800 -0.009 0.000 1.090 814 F CA 1.242 59.243 58.000 0.002 0.000 1.307 814 F CB -0.499 38.504 39.000 0.004 0.000 1.019 814 F HN 0.258 nan 8.300 nan 0.000 0.489 815 I N -0.124 120.514 120.570 0.114 0.000 2.315 815 I HA -0.050 4.117 4.170 -0.005 0.000 0.248 815 I C 2.687 178.771 176.117 -0.055 0.000 1.117 815 I CA 1.970 63.290 61.300 0.032 0.000 1.404 815 I CB -1.981 36.057 38.000 0.063 0.000 1.071 815 I HN 0.329 nan 8.210 nan 0.000 0.419 816 L N -0.025 121.173 121.223 -0.041 0.000 1.989 816 L HA -0.114 4.223 4.340 -0.005 0.000 0.211 816 L C 2.818 179.625 176.870 -0.105 0.000 1.071 816 L CA 3.953 58.762 54.840 -0.052 0.000 0.749 816 L CB -2.146 39.898 42.059 -0.025 0.000 0.890 816 L HN 0.868 nan 8.230 nan 0.000 0.431 817 Q N -0.766 118.933 119.800 -0.167 0.000 2.002 817 Q HA -0.070 4.267 4.340 -0.005 0.000 0.204 817 Q C 2.787 178.638 176.000 -0.248 0.000 0.988 817 Q CA 3.937 59.602 55.803 -0.231 0.000 0.843 817 Q CB -1.788 26.760 28.738 -0.317 0.000 0.908 817 Q HN 1.822 nan 8.270 nan 0.000 0.420 818 L N 0.235 121.257 121.223 -0.336 0.000 2.089 818 L HA 0.078 4.415 4.340 -0.005 0.000 0.213 818 L C 3.234 180.026 176.870 -0.129 0.000 1.079 818 L CA 3.797 58.486 54.840 -0.253 0.000 0.758 818 L CB -2.226 39.686 42.059 -0.245 0.000 0.891 818 L HN 1.112 nan 8.230 nan 0.000 0.433 819 L N -1.297 119.866 121.223 -0.100 0.000 2.044 819 L HA -0.128 4.209 4.340 -0.005 0.000 0.205 819 L C 2.514 179.354 176.870 -0.049 0.000 1.075 819 L CA 2.369 57.179 54.840 -0.049 0.000 0.747 819 L CB -1.658 40.382 42.059 -0.031 0.000 0.903 819 L HN 0.701 nan 8.230 nan 0.000 0.435 820 N N 0.480 119.138 118.700 -0.071 0.000 2.331 820 N HA -0.100 4.637 4.740 -0.005 0.000 0.180 820 N C 2.004 177.465 175.510 -0.082 0.000 1.019 820 N CA 1.649 54.659 53.050 -0.067 0.000 0.881 820 N CB -0.218 38.226 38.487 -0.072 0.000 0.972 820 N HN 0.708 nan 8.380 nan 0.000 0.435 821 K N 1.122 121.455 120.400 -0.112 0.000 2.504 821 K HA 0.182 4.499 4.320 -0.005 0.000 0.195 821 K C 1.060 177.614 176.600 -0.076 0.000 1.036 821 K CA 0.733 56.949 56.287 -0.117 0.000 0.984 821 K CB -0.912 31.492 32.500 -0.160 0.000 0.788 821 K HN 0.347 nan 8.250 nan 0.000 0.488 822 G N -2.903 105.865 108.800 -0.054 0.000 2.401 822 G HA2 0.092 4.049 3.960 -0.005 0.000 0.283 822 G HA3 0.092 4.049 3.960 -0.005 0.000 0.283 822 G C 0.328 175.221 174.900 -0.012 0.000 1.117 822 G CA 0.454 45.541 45.100 -0.023 0.000 1.051 822 G HN 1.480 nan 8.290 nan 0.000 0.510 823 F N -0.451 119.490 119.950 -0.014 0.000 2.706 823 F HA 0.707 5.231 4.527 -0.005 0.000 0.313 823 F C 2.111 177.935 175.800 0.040 0.000 1.096 823 F CA 1.077 59.076 58.000 -0.001 0.000 1.219 823 F CB -0.373 38.600 39.000 -0.046 0.000 1.051 823 F HN 0.758 nan 8.300 nan 0.000 0.568 824 G N 0.618 109.463 108.800 0.075 0.000 2.628 824 G HA2 -0.171 3.786 3.960 -0.005 0.000 0.217 824 G HA3 -0.171 3.786 3.960 -0.005 0.000 0.217 824 G C 2.187 177.312 174.900 0.376 0.000 1.240 824 G CA 1.987 47.184 45.100 0.162 0.000 0.792 824 G HN 1.078 nan 8.290 nan 0.000 0.593 825 S N 0.516 116.480 115.700 0.440 0.000 2.400 825 S HA -0.028 4.439 4.470 -0.005 0.000 0.234 825 S C 2.507 177.361 174.600 0.424 0.000 1.049 825 S CA 3.035 61.509 58.200 0.456 0.000 1.039 825 S CB -0.810 62.465 63.200 0.126 0.000 0.856 825 S HN 1.208 nan 8.310 nan 0.000 0.465 826 I N 0.209 120.907 120.570 0.214 0.000 2.614 826 I HA 0.494 4.661 4.170 -0.005 0.000 0.258 826 I C 2.545 178.715 176.117 0.089 0.000 1.189 826 I CA 1.702 63.077 61.300 0.124 0.000 1.462 826 I CB -1.811 36.228 38.000 0.065 0.000 1.092 826 I HN 0.787 nan 8.210 nan 0.000 0.442 827 L N -2.579 118.655 121.223 0.018 0.000 2.653 827 L HA 0.560 4.897 4.340 -0.005 0.000 0.232 827 L C 1.739 178.438 176.870 -0.285 0.000 1.169 827 L CA 0.544 55.294 54.840 -0.149 0.000 0.951 827 L CB -1.816 40.099 42.059 -0.240 0.000 1.181 827 L HN 0.544 nan 8.230 nan 0.000 0.460 828 F N -0.244 119.727 119.950 0.034 0.000 2.706 828 F HA 0.447 4.971 4.527 -0.005 0.000 0.308 828 F C 1.900 177.725 175.800 0.041 0.000 1.095 828 F CA 0.156 58.179 58.000 0.039 0.000 1.244 828 F CB -0.370 38.647 39.000 0.027 0.000 1.063 828 F HN 0.269 nan 8.300 nan 0.000 0.582 829 T N 0.277 114.942 114.554 0.184 0.000 2.649 829 T HA 0.254 4.601 4.350 -0.005 0.000 0.337 829 T C 1.760 176.524 174.700 0.107 0.000 1.070 829 T CA 0.691 62.864 62.100 0.122 0.000 1.052 829 T CB 0.052 68.970 68.868 0.084 0.000 0.994 829 T HN 0.347 nan 8.240 nan 0.000 0.544 830 E N 0.262 120.514 120.200 0.087 0.000 2.065 830 E HA -0.094 4.253 4.350 -0.005 0.000 0.201 830 E C 2.356 179.025 176.600 0.114 0.000 1.016 830 E CA 2.904 59.356 56.400 0.086 0.000 0.818 830 E CB -1.828 27.912 29.700 0.066 0.000 0.749 830 E HN 1.035 nan 8.360 nan 0.000 0.453 831 E N -0.086 120.176 120.200 0.103 0.000 2.150 831 E HA -0.103 4.244 4.350 -0.005 0.000 0.193 831 E C 2.045 178.760 176.600 0.191 0.000 0.985 831 E CA 1.847 58.327 56.400 0.135 0.000 0.814 831 E CB -1.494 28.226 29.700 0.033 0.000 0.752 831 E HN 0.909 nan 8.360 nan 0.000 0.466 832 N N -0.475 118.292 118.700 0.112 0.000 2.395 832 N HA 0.077 4.814 4.740 -0.005 0.000 0.175 832 N C 2.391 178.032 175.510 0.218 0.000 1.029 832 N CA 1.540 54.654 53.050 0.107 0.000 0.897 832 N CB -0.760 37.703 38.487 -0.041 0.000 0.991 832 N HN 0.732 nan 8.380 nan 0.000 0.441 833 Q N -0.024 119.871 119.800 0.158 0.000 2.248 833 Q HA 0.033 4.370 4.340 -0.005 0.000 0.208 833 Q C 2.368 178.415 176.000 0.079 0.000 0.984 833 Q CA 1.658 57.530 55.803 0.114 0.000 0.875 833 Q CB -1.117 27.686 28.738 0.109 0.000 0.910 833 Q HN 0.602 nan 8.270 nan 0.000 0.433 834 V N -0.780 119.177 119.914 0.071 0.000 3.041 834 V HA -0.098 4.019 4.120 -0.005 0.000 0.260 834 V C 1.405 177.277 176.094 -0.370 0.000 1.105 834 V CA 1.190 63.350 62.300 -0.233 0.000 1.125 834 V CB -0.532 30.993 31.823 -0.497 0.000 0.730 834 V HN 0.864 nan 8.190 nan 0.000 0.479 835 Y N -2.803 117.483 120.300 -0.023 0.000 2.444 835 Y HA 0.333 4.880 4.550 -0.005 0.000 0.252 835 Y C 2.256 178.131 175.900 -0.042 0.000 1.091 835 Y CA -0.252 57.831 58.100 -0.028 0.000 1.276 835 Y CB -1.206 37.236 38.460 -0.030 0.000 1.170 835 Y HN 0.180 nan 8.280 nan 0.000 0.517 836 F N 1.271 121.282 119.950 0.103 0.000 2.085 836 F HA -0.287 4.237 4.527 -0.005 0.000 0.299 836 F C 2.091 177.899 175.800 0.014 0.000 1.096 836 F CA 3.071 61.073 58.000 0.003 0.000 1.227 836 F CB -1.403 37.572 39.000 -0.040 0.000 0.983 836 F HN 0.323 nan 8.300 nan 0.000 0.482 837 D N 1.365 121.777 120.400 0.020 0.000 2.092 837 D HA -0.176 4.461 4.640 -0.005 0.000 0.193 837 D C 0.477 176.787 176.300 0.017 0.000 0.994 837 D CA 1.806 55.815 54.000 0.015 0.000 0.828 837 D CB -2.546 38.257 40.800 0.005 0.000 0.963 837 D HN 0.472 nan 8.370 nan 0.000 0.450 838 P HA -0.035 nan 4.420 nan 0.000 0.217 838 P C 1.844 179.164 177.300 0.034 0.000 1.150 838 P CA 0.808 63.923 63.100 0.025 0.000 0.832 838 P CB -0.107 31.610 31.700 0.029 0.000 0.787 839 L N -0.642 120.607 121.223 0.044 0.000 2.083 839 L HA -0.121 4.217 4.340 -0.005 0.000 0.209 839 L C 3.003 179.886 176.870 0.021 0.000 1.083 839 L CA 1.048 55.908 54.840 0.034 0.000 0.752 839 L CB -1.123 40.953 42.059 0.029 0.000 0.899 839 L HN -0.073 nan 8.230 nan 0.000 0.433 840 I N -0.032 120.548 120.570 0.017 0.000 2.286 840 I HA -0.149 4.018 4.170 -0.005 0.000 0.245 840 I C 2.377 178.505 176.117 0.018 0.000 1.104 840 I CA 1.322 62.632 61.300 0.016 0.000 1.397 840 I CB -0.764 37.246 38.000 0.017 0.000 1.072 840 I HN 0.411 nan 8.210 nan 0.000 0.417 841 N N 1.350 120.060 118.700 0.018 0.000 2.106 841 N HA -0.151 4.586 4.740 -0.005 0.000 0.188 841 N C 2.081 177.601 175.510 0.016 0.000 1.029 841 N CA 1.914 54.973 53.050 0.016 0.000 0.848 841 N CB -0.772 37.723 38.487 0.014 0.000 1.007 841 N HN 0.698 nan 8.380 nan 0.000 0.423 842 S N 0.996 116.707 115.700 0.019 0.000 2.440 842 S HA -0.142 4.325 4.470 -0.005 0.000 0.238 842 S C 2.462 177.074 174.600 0.019 0.000 1.010 842 S CA 1.417 59.629 58.200 0.019 0.000 0.972 842 S CB -1.131 62.083 63.200 0.023 0.000 0.774 842 S HN 0.332 nan 8.310 nan 0.000 0.501 843 I N 1.425 122.007 120.570 0.020 0.000 2.353 843 I HA 0.411 4.578 4.170 -0.005 0.000 0.248 843 I C 3.301 179.429 176.117 0.017 0.000 1.119 843 I CA 1.576 62.888 61.300 0.020 0.000 1.417 843 I CB -1.984 36.028 38.000 0.020 0.000 1.078 843 I HN 0.629 nan 8.210 nan 0.000 0.421 844 L N 0.474 121.707 121.223 0.016 0.000 2.046 844 L HA -0.103 4.234 4.340 -0.005 0.000 0.208 844 L C 2.845 179.723 176.870 0.013 0.000 1.077 844 L CA 3.585 58.433 54.840 0.015 0.000 0.747 844 L CB -2.835 39.232 42.059 0.014 0.000 0.896 844 L HN 0.953 nan 8.230 nan 0.000 0.432 845 H N -2.766 116.312 119.070 0.013 0.000 2.321 845 H HA -0.188 4.365 4.556 -0.005 0.000 0.300 845 H C 2.552 177.888 175.328 0.013 0.000 1.087 845 H CA 2.421 58.476 56.048 0.012 0.000 1.319 845 H CB -1.141 28.628 29.762 0.012 0.000 1.379 845 H HN 0.789 nan 8.280 nan 0.000 0.501 846 F N 1.499 121.458 119.950 0.014 0.000 2.115 846 F HA 0.126 4.650 4.527 -0.005 0.000 0.300 846 F C 1.986 177.795 175.800 0.014 0.000 1.092 846 F CA 0.460 58.469 58.000 0.015 0.000 1.245 846 F CB -1.275 37.736 39.000 0.018 0.000 0.995 846 F HN 0.942 nan 8.300 nan 0.000 0.481 854 A N -0.648 122.179 122.820 0.013 0.000 1.954 854 A HA 0.013 4.330 4.320 -0.005 0.000 0.222 854 A C 2.481 180.075 177.584 0.016 0.000 1.199 854 A CA 4.032 56.078 52.037 0.014 0.000 0.657 854 A CB -1.618 17.391 19.000 0.015 0.000 0.823 854 A HN 1.431 nan 8.150 nan 0.000 0.463 855 T N -1.539 113.025 114.554 0.016 0.000 2.777 855 T HA -0.113 4.234 4.350 -0.005 0.000 0.266 855 T C 2.079 176.789 174.700 0.017 0.000 1.040 855 T CA 3.085 65.195 62.100 0.017 0.000 1.141 855 T CB -0.682 68.196 68.868 0.017 0.000 0.868 855 T HN 0.797 nan 8.240 nan 0.000 0.444 856 Q N 0.965 120.773 119.800 0.015 0.000 2.096 856 Q HA -0.120 4.218 4.340 -0.005 0.000 0.204 856 Q C 2.612 178.621 176.000 0.014 0.000 0.982 856 Q CA 2.840 58.651 55.803 0.014 0.000 0.850 856 Q CB -1.395 27.350 28.738 0.012 0.000 0.901 856 Q HN 0.877 nan 8.270 nan 0.000 0.422 857 K N 1.205 121.613 120.400 0.014 0.000 2.032 857 K HA -0.168 4.149 4.320 -0.005 0.000 0.209 857 K C 2.536 179.145 176.600 0.014 0.000 1.048 857 K CA 2.403 58.698 56.287 0.013 0.000 0.927 857 K CB -1.603 30.905 32.500 0.013 0.000 0.712 857 K HN 0.958 nan 8.250 nan 0.000 0.441 858 S N 1.156 116.866 115.700 0.016 0.000 2.368 858 S HA -0.211 4.256 4.470 -0.005 0.000 0.225 858 S C 2.466 177.076 174.600 0.018 0.000 1.030 858 S CA 1.954 60.165 58.200 0.018 0.000 0.999 858 S CB -0.718 62.495 63.200 0.022 0.000 0.844 858 S HN 0.870 nan 8.310 nan 0.000 0.459 859 S N 3.696 119.407 115.700 0.019 0.000 2.383 859 S HA -0.110 4.357 4.470 -0.005 0.000 0.229 859 S C 2.120 176.729 174.600 0.016 0.000 1.030 859 S CA 1.205 59.416 58.200 0.018 0.000 1.002 859 S CB -1.223 61.987 63.200 0.018 0.000 0.829 859 S HN 0.852 nan 8.310 nan 0.000 0.467 860 I N -0.108 120.471 120.570 0.015 0.000 2.546 860 I HA 0.140 4.307 4.170 -0.005 0.000 0.255 860 I C 2.447 178.572 176.117 0.013 0.000 1.163 860 I CA 1.069 62.377 61.300 0.013 0.000 1.457 860 I CB -0.688 37.319 38.000 0.012 0.000 1.092 860 I HN 0.316 nan 8.210 nan 0.000 0.434 861 A N 2.224 125.052 122.820 0.012 0.000 1.929 861 A HA 0.010 4.327 4.320 -0.005 0.000 0.216 861 A C 2.313 179.903 177.584 0.010 0.000 1.176 861 A CA 1.236 53.280 52.037 0.011 0.000 0.628 861 A CB -0.767 18.239 19.000 0.010 0.000 0.816 861 A HN 0.516 nan 8.150 nan 0.000 0.444 862 L N -0.414 120.816 121.223 0.012 0.000 1.970 862 L HA -0.208 4.130 4.340 -0.005 0.000 0.212 862 L C 2.946 179.825 176.870 0.014 0.000 1.071 862 L CA 1.566 56.414 54.840 0.013 0.000 0.751 862 L CB -0.904 41.165 42.059 0.017 0.000 0.889 862 L HN 0.339 nan 8.230 nan 0.000 0.432 863 V N -1.347 118.577 119.914 0.016 0.000 2.453 863 V HA -0.321 3.797 4.120 -0.005 0.000 0.252 863 V C 2.509 178.615 176.094 0.019 0.000 1.068 863 V CA 2.871 65.182 62.300 0.018 0.000 1.070 863 V CB -0.646 31.187 31.823 0.017 0.000 0.664 863 V HN 0.377 nan 8.190 nan 0.000 0.461 864 S N -0.154 115.556 115.700 0.015 0.000 2.406 864 S HA -0.035 4.432 4.470 -0.005 0.000 0.228 864 S C 2.479 177.088 174.600 0.015 0.000 1.020 864 S CA 1.633 59.842 58.200 0.014 0.000 0.965 864 S CB -0.261 62.945 63.200 0.011 0.000 0.798 864 S HN 0.956 nan 8.310 nan 0.000 0.488 865 K N 1.232 121.640 120.400 0.013 0.000 2.025 865 K HA 0.077 4.395 4.320 -0.005 0.000 0.207 865 K C 2.427 179.040 176.600 0.022 0.000 1.049 865 K CA 1.900 58.194 56.287 0.011 0.000 0.933 865 K CB -1.709 30.793 32.500 0.003 0.000 0.714 865 K HN 0.500 nan 8.250 nan 0.000 0.438 866 M N 0.597 120.213 119.600 0.027 0.000 2.132 866 M HA 0.068 4.545 4.480 -0.005 0.000 0.263 866 M C 2.668 178.999 176.300 0.052 0.000 1.065 866 M CA 2.179 57.506 55.300 0.045 0.000 1.122 866 M CB -1.216 31.408 32.600 0.040 0.000 1.365 866 M HN 0.253 nan 8.290 nan 0.000 0.411 867 V N 1.600 121.537 119.914 0.038 0.000 2.216 867 V HA -0.311 3.806 4.120 -0.005 0.000 0.243 867 V C 2.992 179.104 176.094 0.030 0.000 1.044 867 V CA 2.723 65.043 62.300 0.034 0.000 0.995 867 V CB -1.189 30.648 31.823 0.025 0.000 0.633 867 V HN 0.895 nan 8.190 nan 0.000 0.446 868 S N 0.828 116.542 115.700 0.022 0.000 2.365 868 S HA -0.106 4.361 4.470 -0.005 0.000 0.225 868 S C 1.264 175.876 174.600 0.019 0.000 1.039 868 S CA 1.608 59.819 58.200 0.017 0.000 1.033 868 S CB -1.407 61.800 63.200 0.012 0.000 0.887 868 S HN 0.730 nan 8.310 nan 0.000 0.447 878 G N -0.965 107.874 108.800 0.066 0.000 3.453 878 G HA2 0.486 4.443 3.960 -0.005 0.000 0.263 878 G HA3 0.486 4.443 3.960 -0.005 0.000 0.263 878 G C 1.099 176.031 174.900 0.053 0.000 1.060 878 G CA 1.377 46.507 45.100 0.050 0.000 0.793 878 G HN 1.526 nan 8.290 nan 0.000 0.532 879 F N 0.645 120.635 119.950 0.067 0.000 2.102 879 F HA 0.162 4.686 4.527 -0.005 0.000 0.298 879 F C 2.486 178.312 175.800 0.043 0.000 1.105 879 F CA 2.278 60.318 58.000 0.066 0.000 1.239 879 F CB -0.933 38.114 39.000 0.079 0.000 0.991 879 F HN 0.467 nan 8.300 nan 0.000 0.474 880 E N 0.644 120.864 120.200 0.033 0.000 2.106 880 E HA -0.184 4.163 4.350 -0.005 0.000 0.192 880 E C 1.928 178.541 176.600 0.022 0.000 0.984 880 E CA 1.955 58.369 56.400 0.024 0.000 0.806 880 E CB -2.203 27.508 29.700 0.018 0.000 0.750 880 E HN 0.935 nan 8.360 nan 0.000 0.458 881 N N -0.123 118.591 118.700 0.023 0.000 2.142 881 N HA -0.115 4.622 4.740 -0.005 0.000 0.186 881 N C 2.137 177.659 175.510 0.020 0.000 1.023 881 N CA 2.047 55.109 53.050 0.020 0.000 0.852 881 N CB -1.185 37.313 38.487 0.019 0.000 0.998 881 N HN 0.586 nan 8.380 nan 0.000 0.424 882 F N 0.350 120.316 119.950 0.026 0.000 2.186 882 F HA 0.128 4.652 4.527 -0.005 0.000 0.299 882 F C 3.430 179.244 175.800 0.023 0.000 1.090 882 F CA 0.868 58.883 58.000 0.025 0.000 1.307 882 F CB -1.802 37.216 39.000 0.031 0.000 1.019 882 F HN 0.736 nan 8.300 nan 0.000 0.489 883 T N 1.018 115.587 114.554 0.024 0.000 2.684 883 T HA -0.008 4.339 4.350 -0.005 0.000 0.267 883 T C 2.298 177.007 174.700 0.016 0.000 1.036 883 T CA 2.876 64.989 62.100 0.021 0.000 1.148 883 T CB -0.936 67.945 68.868 0.021 0.000 0.863 883 T HN 0.463 nan 8.240 nan 0.000 0.436 884 L N 1.220 122.453 121.223 0.015 0.000 2.017 884 L HA 0.374 4.711 4.340 -0.005 0.000 0.208 884 L C 3.225 180.102 176.870 0.012 0.000 1.073 884 L CA 2.938 57.786 54.840 0.012 0.000 0.745 884 L CB -1.931 40.135 42.059 0.011 0.000 0.894 884 L HN 0.756 nan 8.230 nan 0.000 0.432 885 S N -0.253 115.455 115.700 0.013 0.000 2.462 885 S HA 0.103 4.570 4.470 -0.005 0.000 0.243 885 S C 2.272 176.880 174.600 0.013 0.000 1.003 885 S CA 2.804 61.011 58.200 0.013 0.000 0.970 885 S CB -1.092 62.116 63.200 0.014 0.000 0.762 885 S HN 1.497 nan 8.310 nan 0.000 0.510 886 L N -0.062 121.169 121.223 0.014 0.000 2.131 886 L HA 0.055 4.392 4.340 -0.005 0.000 0.206 886 L C 2.859 179.735 176.870 0.011 0.000 1.087 886 L CA 2.415 57.263 54.840 0.013 0.000 0.767 886 L CB -2.054 40.013 42.059 0.014 0.000 0.917 886 L HN 0.481 nan 8.230 nan 0.000 0.441 887 T N 0.360 114.920 114.554 0.011 0.000 2.653 887 T HA -0.125 4.222 4.350 -0.005 0.000 0.268 887 T C 0.366 175.071 174.700 0.008 0.000 1.035 887 T CA 1.987 64.093 62.100 0.009 0.000 1.154 887 T CB -1.040 67.833 68.868 0.008 0.000 0.862 887 T HN 0.709 nan 8.240 nan 0.000 0.441 888 P HA 0.078 nan 4.420 nan 0.000 0.221 888 P C 1.661 178.965 177.300 0.008 0.000 1.150 888 P CA 0.897 64.002 63.100 0.008 0.000 0.800 888 P CB -0.431 31.274 31.700 0.008 0.000 0.787 889 L N -0.434 120.794 121.223 0.009 0.000 2.265 889 L HA -0.045 4.292 4.340 -0.005 0.000 0.215 889 L C 2.814 179.689 176.870 0.008 0.000 1.117 889 L CA 2.463 57.309 54.840 0.009 0.000 0.782 889 L CB -2.321 39.744 42.059 0.010 0.000 0.914 889 L HN 0.287 nan 8.230 nan 0.000 0.441 890 C N -1.784 117.521 119.300 0.008 0.000 2.464 890 C HA 0.381 4.838 4.460 -0.005 0.000 0.278 890 C C 2.866 177.860 174.990 0.007 0.000 1.375 890 C CA 1.631 60.654 59.018 0.007 0.000 1.761 890 C CB -1.244 26.500 27.740 0.007 0.000 1.944 890 C HN 0.904 nan 8.230 nan 0.000 0.509 891 F N 0.138 120.092 119.950 0.006 0.000 2.619 891 F HA 0.437 4.961 4.527 -0.005 0.000 0.293 891 F C 2.279 178.082 175.800 0.006 0.000 1.119 891 F CA 1.843 59.846 58.000 0.006 0.000 1.445 891 F CB -1.186 37.817 39.000 0.005 0.000 1.119 891 F HN 0.500 nan 8.300 nan 0.000 0.573 892 E N -0.171 120.032 120.200 0.006 0.000 2.358 892 E HA 0.142 4.489 4.350 -0.005 0.000 0.195 892 E C 2.156 178.760 176.600 0.006 0.000 1.010 892 E CA 1.648 58.052 56.400 0.006 0.000 0.856 892 E CB -1.344 28.360 29.700 0.007 0.000 0.795 892 E HN 0.884 nan 8.360 nan 0.000 0.504 893 M N 1.503 121.107 119.600 0.007 0.000 2.086 893 M HA 0.006 4.483 4.480 -0.005 0.000 0.261 893 M C 0.780 177.083 176.300 0.006 0.000 1.067 893 M CA 2.037 57.341 55.300 0.007 0.000 1.116 893 M CB -2.181 30.424 32.600 0.007 0.000 1.348 893 M HN 0.444 nan 8.290 nan 0.000 0.407 894 P HA 0.209 nan 4.420 nan 0.000 0.242 894 P C 1.302 178.604 177.300 0.005 0.000 1.197 894 P CA 1.484 64.587 63.100 0.005 0.000 0.765 894 P CB -0.851 30.852 31.700 0.005 0.000 0.936 895 V N -0.129 119.788 119.914 0.005 0.000 2.759 895 V HA -0.192 3.925 4.120 -0.005 0.000 0.256 895 V C 1.538 177.635 176.094 0.005 0.000 1.080 895 V CA 2.051 64.354 62.300 0.005 0.000 1.101 895 V CB -1.860 29.966 31.823 0.005 0.000 0.698 895 V HN 0.339 nan 8.190 nan 0.000 0.477 908 V N -0.145 119.773 119.914 0.007 0.000 2.490 908 V HA -0.068 4.049 4.120 -0.005 0.000 0.250 908 V C 2.491 178.590 176.094 0.008 0.000 1.061 908 V CA 3.369 65.673 62.300 0.007 0.000 1.064 908 V CB -0.814 31.013 31.823 0.008 0.000 0.670 908 V HN 0.684 nan 8.190 nan 0.000 0.461 909 V N 0.294 120.212 119.914 0.008 0.000 2.282 909 V HA -0.331 3.786 4.120 -0.005 0.000 0.249 909 V C 2.956 179.055 176.094 0.008 0.000 1.057 909 V CA 2.546 64.852 62.300 0.008 0.000 1.032 909 V CB -0.951 30.877 31.823 0.009 0.000 0.645 909 V HN 0.831 nan 8.190 nan 0.000 0.447 910 L N 0.328 121.555 121.223 0.007 0.000 2.129 910 L HA -0.056 4.281 4.340 -0.005 0.000 0.212 910 L C 2.542 179.416 176.870 0.006 0.000 1.087 910 L CA 2.881 57.725 54.840 0.006 0.000 0.757 910 L CB -2.047 40.015 42.059 0.006 0.000 0.896 910 L HN 0.471 nan 8.230 nan 0.000 0.434 911 G N -1.231 107.573 108.800 0.006 0.000 2.404 911 G HA2 0.036 3.993 3.960 -0.005 0.000 0.213 911 G HA3 0.036 3.993 3.960 -0.005 0.000 0.213 911 G C 1.610 176.513 174.900 0.006 0.000 1.189 911 G CA 1.483 46.587 45.100 0.006 0.000 0.796 911 G HN 0.796 nan 8.290 nan 0.000 0.532 912 E N 0.375 120.579 120.200 0.007 0.000 2.333 912 E HA 0.241 4.588 4.350 -0.005 0.000 0.198 912 E C 2.559 179.163 176.600 0.008 0.000 1.007 912 E CA 1.472 57.876 56.400 0.008 0.000 0.845 912 E CB -0.951 28.754 29.700 0.008 0.000 0.766 912 E HN 0.748 nan 8.360 nan 0.000 0.507 913 L N -0.310 120.917 121.223 0.008 0.000 2.068 913 L HA 0.618 4.955 4.340 -0.005 0.000 0.204 913 L C 2.945 179.819 176.870 0.007 0.000 1.076 913 L CA 2.074 56.919 54.840 0.008 0.000 0.753 913 L CB -1.282 40.782 42.059 0.008 0.000 0.910 913 L HN 0.677 nan 8.230 nan 0.000 0.439 914 A N -0.485 122.339 122.820 0.007 0.000 2.238 914 A HA 0.355 4.672 4.320 -0.005 0.000 0.208 914 A C 2.426 180.014 177.584 0.006 0.000 1.177 914 A CA 1.125 53.166 52.037 0.006 0.000 0.804 914 A CB -0.935 18.068 19.000 0.005 0.000 0.823 914 A HN 0.799 nan 8.150 nan 0.000 0.482 915 G N -0.525 108.279 108.800 0.006 0.000 2.441 915 G HA2 0.193 4.150 3.960 -0.005 0.000 0.212 915 G HA3 0.193 4.150 3.960 -0.005 0.000 0.212 915 G C 1.513 176.418 174.900 0.007 0.000 1.164 915 G CA 1.020 46.124 45.100 0.006 0.000 0.811 915 G HN 0.785 nan 8.290 nan 0.000 0.535 916 L N 0.091 121.319 121.223 0.008 0.000 2.093 916 L HA 0.058 4.395 4.340 -0.005 0.000 0.208 916 L C 2.710 179.585 176.870 0.009 0.000 1.085 916 L CA 2.588 57.434 54.840 0.009 0.000 0.755 916 L CB -1.630 40.435 42.059 0.010 0.000 0.904 916 L HN 0.430 nan 8.230 nan 0.000 0.435 917 Q N -0.143 119.662 119.800 0.008 0.000 2.124 917 Q HA -0.208 4.129 4.340 -0.005 0.000 0.202 917 Q C 2.796 178.800 176.000 0.007 0.000 0.977 917 Q CA 3.109 58.917 55.803 0.007 0.000 0.850 917 Q CB -0.588 28.154 28.738 0.007 0.000 0.901 917 Q HN 0.941 nan 8.270 nan 0.000 0.429 918 K N -0.161 120.242 120.400 0.006 0.000 2.057 918 K HA 0.028 4.345 4.320 -0.005 0.000 0.206 918 K C 2.225 178.829 176.600 0.005 0.000 1.050 918 K CA 1.856 58.146 56.287 0.005 0.000 0.935 918 K CB -1.828 30.675 32.500 0.005 0.000 0.715 918 K HN 0.807 nan 8.250 nan 0.000 0.439 919 I N 1.190 121.763 120.570 0.006 0.000 2.315 919 I HA 0.086 4.253 4.170 -0.005 0.000 0.248 919 I C 3.097 179.218 176.117 0.007 0.000 1.117 919 I CA 2.354 63.658 61.300 0.006 0.000 1.404 919 I CB -1.767 36.237 38.000 0.007 0.000 1.071 919 I HN 0.611 nan 8.210 nan 0.000 0.419 920 I N 0.472 121.047 120.570 0.008 0.000 2.113 920 I HA -0.106 4.061 4.170 -0.005 0.000 0.242 920 I C 3.024 179.145 176.117 0.007 0.000 1.064 920 I CA 3.800 65.105 61.300 0.009 0.000 1.320 920 I CB -1.803 36.202 38.000 0.009 0.000 1.028 920 I HN 1.130 nan 8.210 nan 0.000 0.406 921 L N 0.287 121.514 121.223 0.006 0.000 2.013 921 L HA -0.096 4.241 4.340 -0.005 0.000 0.212 921 L C 2.839 179.712 176.870 0.004 0.000 1.073 921 L CA 4.248 59.091 54.840 0.005 0.000 0.753 921 L CB -2.372 39.690 42.059 0.004 0.000 0.890 921 L HN 0.915 nan 8.230 nan 0.000 0.432 922 E N 0.113 120.315 120.200 0.004 0.000 2.038 922 E HA -0.232 4.115 4.350 -0.005 0.000 0.195 922 E C 2.517 179.118 176.600 0.003 0.000 1.000 922 E CA 3.246 59.648 56.400 0.003 0.000 0.803 922 E CB -1.129 28.573 29.700 0.003 0.000 0.750 922 E HN 0.965 nan 8.360 nan 0.000 0.448 923 K N -0.399 120.004 120.400 0.004 0.000 2.155 923 K HA 0.467 4.784 4.320 -0.005 0.000 0.203 923 K C 2.544 179.146 176.600 0.004 0.000 1.052 923 K CA 1.778 58.068 56.287 0.004 0.000 0.948 923 K CB -1.171 31.333 32.500 0.007 0.000 0.728 923 K HN 1.081 nan 8.250 nan 0.000 0.448 924 L N -0.714 120.512 121.223 0.005 0.000 2.416 924 L HA 0.524 4.861 4.340 -0.005 0.000 0.216 924 L C 2.351 179.223 176.870 0.003 0.000 1.098 924 L CA 1.488 56.331 54.840 0.004 0.000 0.840 924 L CB -1.539 40.524 42.059 0.006 0.000 0.981 924 L HN 1.089 nan 8.230 nan 0.000 0.462 925 G N -0.457 108.345 108.800 0.003 0.000 2.622 925 G HA2 -0.393 3.564 3.960 -0.005 0.000 0.307 925 G HA3 -0.393 3.564 3.960 -0.005 0.000 0.307 925 G C 0.913 175.814 174.900 0.002 0.000 1.226 925 G CA 1.538 46.639 45.100 0.002 0.000 0.997 925 G HN 1.519 nan 8.290 nan 0.000 0.551 926 D N -0.633 119.768 120.400 0.001 0.000 2.263 926 D HA 0.320 4.957 4.640 -0.005 0.000 0.208 926 D C 3.113 179.414 176.300 0.002 0.000 0.971 926 D CA 3.885 57.886 54.000 0.001 0.000 0.867 926 D CB -0.455 40.345 40.800 0.001 0.000 0.929 926 D HN 1.697 nan 8.370 nan 0.000 0.492 927 I N -0.534 120.037 120.570 0.002 0.000 2.339 927 I HA 0.235 4.403 4.170 -0.005 0.000 0.245 927 I C 2.937 179.056 176.117 0.004 0.000 1.096 927 I CA 1.955 63.257 61.300 0.003 0.000 1.408 927 I CB -1.922 36.079 38.000 0.003 0.000 1.092 927 I HN 0.725 nan 8.210 nan 0.000 0.423 928 Y N 0.637 120.939 120.300 0.004 0.000 2.062 928 Y HA -0.342 4.205 4.550 -0.005 0.000 0.273 928 Y C 2.990 178.893 175.900 0.005 0.000 1.206 928 Y CA 4.523 62.627 58.100 0.005 0.000 1.125 928 Y CB -1.698 36.766 38.460 0.005 0.000 0.951 928 Y HN 0.695 nan 8.280 nan 0.000 0.501 929 K N 0.200 120.602 120.400 0.004 0.000 2.148 929 K HA 0.087 4.404 4.320 -0.005 0.000 0.204 929 K C 2.573 179.175 176.600 0.003 0.000 1.050 929 K CA 1.892 58.182 56.287 0.004 0.000 0.942 929 K CB -1.634 30.867 32.500 0.003 0.000 0.724 929 K HN 1.282 nan 8.250 nan 0.000 0.446 930 S N -0.551 115.151 115.700 0.003 0.000 2.402 930 S HA 0.077 4.544 4.470 -0.005 0.000 0.229 930 S C 2.350 176.952 174.600 0.003 0.000 1.021 930 S CA 1.793 59.995 58.200 0.003 0.000 0.974 930 S CB -0.789 62.413 63.200 0.002 0.000 0.800 930 S HN 1.034 nan 8.310 nan 0.000 0.484 931 Y N -0.113 120.190 120.300 0.004 0.000 2.475 931 Y HA 0.475 5.022 4.550 -0.005 0.000 0.289 931 Y C 2.935 178.838 175.900 0.004 0.000 1.121 931 Y CA 1.153 59.256 58.100 0.004 0.000 1.257 931 Y CB -1.127 37.336 38.460 0.005 0.000 1.026 931 Y HN 0.590 nan 8.280 nan 0.000 0.555 932 L N 0.069 121.294 121.223 0.004 0.000 2.209 932 L HA 0.306 4.643 4.340 -0.005 0.000 0.207 932 L C 2.701 179.573 176.870 0.004 0.000 1.094 932 L CA 1.821 56.664 54.840 0.004 0.000 0.790 932 L CB -1.429 40.633 42.059 0.005 0.000 0.932 932 L HN 0.711 nan 8.230 nan 0.000 0.447 933 V N -0.800 119.116 119.914 0.003 0.000 2.283 933 V HA -0.015 4.102 4.120 -0.005 0.000 0.243 933 V C 2.768 178.864 176.094 0.003 0.000 1.039 933 V CA 3.574 65.876 62.300 0.003 0.000 1.016 933 V CB -1.402 30.423 31.823 0.003 0.000 0.650 933 V HN 0.584 nan 8.190 nan 0.000 0.449 934 T N -0.846 113.709 114.554 0.003 0.000 2.732 934 T HA 0.183 4.530 4.350 -0.005 0.000 0.261 934 T C 2.128 176.830 174.700 0.003 0.000 1.040 934 T CA 3.608 65.709 62.100 0.003 0.000 1.145 934 T CB -0.553 68.317 68.868 0.003 0.000 0.866 934 T HN 0.981 nan 8.240 nan 0.000 0.427 935 V N 0.050 119.966 119.914 0.003 0.000 2.278 935 V HA 0.300 4.417 4.120 -0.005 0.000 0.238 935 V C 2.779 178.876 176.094 0.004 0.000 1.039 935 V CA 2.418 64.721 62.300 0.004 0.000 1.017 935 V CB -1.585 30.241 31.823 0.004 0.000 0.657 935 V HN 0.720 nan 8.190 nan 0.000 0.462 936 Y N -0.823 119.480 120.300 0.004 0.000 2.163 936 Y HA -0.039 4.508 4.550 -0.005 0.000 0.288 936 Y C 2.834 178.736 175.900 0.004 0.000 1.136 936 Y CA 3.328 61.431 58.100 0.004 0.000 1.147 936 Y CB -1.418 37.045 38.460 0.005 0.000 0.987 936 Y HN 0.843 nan 8.280 nan 0.000 0.509 937 F N 0.236 120.188 119.950 0.004 0.000 2.120 937 F HA -0.004 4.520 4.527 -0.005 0.000 0.300 937 F C 1.156 176.957 175.800 0.003 0.000 1.095 937 F CA 2.617 60.619 58.000 0.003 0.000 1.249 937 F CB -2.238 36.763 39.000 0.003 0.000 0.995 937 F HN 0.431 nan 8.300 nan 0.000 0.480 938 P HA 0.216 nan 4.420 nan 0.000 0.217 938 P C 0.991 178.293 177.300 0.003 0.000 1.151 938 P CA 2.510 65.611 63.100 0.003 0.000 0.828 938 P CB -0.873 30.829 31.700 0.003 0.000 0.788 945 V N -0.252 119.663 119.914 0.002 0.000 2.949 945 V HA 0.504 4.621 4.120 -0.005 0.000 0.245 945 V C 3.030 179.126 176.094 0.002 0.000 1.086 945 V CA 2.859 65.160 62.300 0.002 0.000 1.097 945 V CB -0.603 31.221 31.823 0.002 0.000 0.762 945 V HN 0.893 nan 8.190 nan 0.000 0.470 946 M N -0.150 119.451 119.600 0.002 0.000 2.200 946 M HA 0.350 4.827 4.480 -0.005 0.000 0.265 946 M C 2.476 178.777 176.300 0.003 0.000 1.066 946 M CA 2.393 57.694 55.300 0.003 0.000 1.127 946 M CB -1.618 30.984 32.600 0.003 0.000 1.379 946 M HN 0.926 nan 8.290 nan 0.000 0.420 947 A N 0.583 123.405 122.820 0.003 0.000 1.930 947 A HA 0.179 4.496 4.320 -0.005 0.000 0.217 947 A C 2.706 180.292 177.584 0.003 0.000 1.175 947 A CA 2.564 54.603 52.037 0.003 0.000 0.627 947 A CB -1.269 17.733 19.000 0.003 0.000 0.815 947 A HN 1.006 nan 8.150 nan 0.000 0.443 948 S N -0.347 115.355 115.700 0.002 0.000 2.344 948 S HA -0.044 4.423 4.470 -0.005 0.000 0.217 948 S C 2.089 176.690 174.600 0.002 0.000 1.033 948 S CA 2.743 60.945 58.200 0.002 0.000 1.017 948 S CB -0.952 62.249 63.200 0.002 0.000 0.941 948 S HN 0.849 nan 8.310 nan 0.000 0.430 949 E N 0.062 120.263 120.200 0.002 0.000 2.097 949 E HA -0.107 4.240 4.350 -0.005 0.000 0.196 949 E C 2.350 178.952 176.600 0.003 0.000 1.000 949 E CA 2.439 58.840 56.400 0.002 0.000 0.804 949 E CB -2.081 27.620 29.700 0.002 0.000 0.740 949 E HN 1.187 nan 8.360 nan 0.000 0.454 950 Y N -0.244 120.058 120.300 0.003 0.000 2.089 950 Y HA 0.158 4.705 4.550 -0.005 0.000 0.282 950 Y C 3.317 179.219 175.900 0.003 0.000 1.139 950 Y CA 3.287 61.389 58.100 0.003 0.000 1.123 950 Y CB -1.263 37.199 38.460 0.003 0.000 0.980 950 Y HN 0.779 nan 8.280 nan 0.000 0.493 951 L N 0.505 121.730 121.223 0.003 0.000 2.447 951 L HA 0.015 4.352 4.340 -0.005 0.000 0.225 951 L C 2.330 179.202 176.870 0.003 0.000 1.148 951 L CA 3.239 58.081 54.840 0.003 0.000 0.808 951 L CB -2.445 39.615 42.059 0.003 0.000 0.928 951 L HN 0.876 nan 8.230 nan 0.000 0.448 952 Q N -0.483 119.318 119.800 0.002 0.000 2.049 952 Q HA 0.443 4.780 4.340 -0.005 0.000 0.198 952 Q C 1.946 177.947 176.000 0.002 0.000 0.971 952 Q CA 1.505 57.310 55.803 0.002 0.000 0.833 952 Q CB -0.965 27.775 28.738 0.002 0.000 0.896 952 Q HN 1.541 nan 8.270 nan 0.000 0.434 971 Q N 0.747 120.549 119.800 0.004 0.000 2.224 971 Q HA 0.317 4.654 4.340 -0.005 0.000 0.203 971 Q C 2.380 178.382 176.000 0.003 0.000 0.970 971 Q CA 2.784 58.589 55.803 0.004 0.000 0.865 971 Q CB -0.879 27.861 28.738 0.003 0.000 0.922 971 Q HN 2.292 nan 8.270 nan 0.000 0.445 972 A N 0.104 122.926 122.820 0.003 0.000 1.903 972 A HA 0.354 4.671 4.320 -0.005 0.000 0.213 972 A C 2.648 180.233 177.584 0.003 0.000 1.185 972 A CA 1.830 53.869 52.037 0.003 0.000 0.628 972 A CB -0.752 18.250 19.000 0.003 0.000 0.830 972 A HN 1.292 nan 8.150 nan 0.000 0.446 973 L N -0.552 120.673 121.223 0.003 0.000 2.201 973 L HA 0.108 4.445 4.340 -0.005 0.000 0.212 973 L C 2.787 179.659 176.870 0.003 0.000 1.105 973 L CA 2.807 57.649 54.840 0.003 0.000 0.775 973 L CB -2.292 39.769 42.059 0.004 0.000 0.913 973 L HN 0.665 nan 8.230 nan 0.000 0.440 974 K N -0.422 119.980 120.400 0.003 0.000 2.243 974 K HA 0.564 4.881 4.320 -0.005 0.000 0.201 974 K C 1.474 178.076 176.600 0.003 0.000 1.051 974 K CA 1.321 57.610 56.287 0.003 0.000 0.970 974 K CB -0.882 31.620 32.500 0.004 0.000 0.755 974 K HN 1.176 nan 8.250 nan 0.000 0.465 975 S N 0.000 115.702 115.700 0.003 0.000 2.498 975 S HA 0.000 4.467 4.470 -0.005 0.000 0.327 975 S CA 0.000 58.202 58.200 0.003 0.000 1.107 975 S CB 0.000 63.202 63.200 0.003 0.000 0.593 975 S HN 0.000 nan 8.310 nan 0.000 0.517