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 1ji2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR 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 0.000 176.223 176.300 -0.129 0.000 1.140 1 M CA 0.000 55.248 55.300 -0.086 0.000 0.988 1 M CB 0.000 32.550 32.600 -0.083 0.000 1.302 2 L N 2.805 123.952 121.223 -0.125 0.000 2.328 2 L HA 0.317 4.657 4.340 0.001 0.000 0.280 2 L C 1.032 177.762 176.870 -0.234 0.000 1.111 2 L CA -0.427 54.324 54.840 -0.149 0.000 0.909 2 L CB 0.328 42.328 42.059 -0.098 0.000 1.277 2 L HN 0.684 nan 8.230 nan 0.000 0.433 3 L N 1.225 122.212 121.223 -0.392 0.000 2.191 3 L HA -0.177 4.164 4.340 0.001 0.000 0.212 3 L C 1.794 178.350 176.870 -0.523 0.000 1.103 3 L CA 1.042 55.416 54.840 -0.777 0.000 0.769 3 L CB -0.220 41.095 42.059 -1.240 0.000 0.908 3 L HN 0.606 nan 8.230 nan 0.000 0.438 4 E N 0.489 120.537 120.200 -0.254 0.000 2.338 4 E HA -0.096 4.255 4.350 0.001 0.000 0.197 4 E C 1.921 178.520 176.600 -0.002 0.000 1.007 4 E CA 0.958 57.310 56.400 -0.081 0.000 0.849 4 E CB -0.111 29.564 29.700 -0.042 0.000 0.774 4 E HN 0.433 nan 8.360 nan 0.000 0.506 5 A N 0.174 122.981 122.820 -0.022 0.000 2.308 5 A HA 0.214 4.535 4.320 0.001 0.000 0.217 5 A C 0.607 178.270 177.584 0.133 0.000 1.216 5 A CA -0.222 51.866 52.037 0.085 0.000 0.864 5 A CB 0.027 19.058 19.000 0.052 0.000 0.902 5 A HN 0.082 nan 8.150 nan 0.000 0.499 6 I N -0.113 120.477 120.570 0.034 0.000 2.365 6 I HA 0.419 4.589 4.170 0.001 0.000 0.291 6 I C -0.555 175.636 176.117 0.124 0.000 1.004 6 I CA -0.274 61.041 61.300 0.024 0.000 1.311 6 I CB 1.128 39.042 38.000 -0.142 0.000 1.401 6 I HN 0.306 nan 8.210 nan 0.000 0.491 7 F N 6.475 126.411 119.950 -0.024 0.000 2.591 7 F HA 0.563 5.091 4.527 0.001 0.000 0.309 7 F C -0.914 174.921 175.800 0.058 0.000 1.098 7 F CA -0.308 57.704 58.000 0.020 0.000 0.937 7 F CB 1.518 40.416 39.000 -0.169 0.000 1.250 7 F HN 0.481 nan 8.300 nan 0.000 0.447 8 H N 3.702 122.135 119.070 -1.061 0.000 3.068 8 H HA 0.358 4.915 4.556 0.002 0.000 0.342 8 H C -2.116 172.499 175.328 -1.188 0.000 1.284 8 H CA -0.505 54.972 56.048 -0.952 0.000 1.181 8 H CB 2.438 31.867 29.762 -0.555 0.000 1.898 8 H HN 0.854 nan 8.280 nan 0.000 0.540 9 E N 2.052 121.308 120.200 -1.573 0.000 2.343 9 E HA 0.584 4.935 4.350 0.001 0.000 0.278 9 E C -1.243 174.924 176.600 -0.722 0.000 0.910 9 E CA -1.088 54.817 56.400 -0.825 0.000 0.757 9 E CB 2.034 31.524 29.700 -0.350 0.000 1.218 9 E HN 0.535 nan 8.360 nan 0.000 0.435 10 A N 3.817 126.523 122.820 -0.191 0.000 2.810 10 A HA 0.163 4.484 4.320 0.001 0.000 0.247 10 A C 0.034 177.782 177.584 0.274 0.000 1.576 10 A CA 0.604 52.755 52.037 0.191 0.000 1.294 10 A CB -0.951 18.251 19.000 0.337 0.000 0.976 10 A HN 0.628 nan 8.150 nan 0.000 0.631 11 K N -2.989 117.530 120.400 0.198 0.000 2.756 11 K HA 0.567 4.888 4.320 0.001 0.000 0.286 11 K C 0.655 177.416 176.600 0.268 0.000 1.029 11 K CA -0.461 55.997 56.287 0.285 0.000 0.791 11 K CB -0.412 32.197 32.500 0.182 0.000 1.481 11 K HN 1.306 nan 8.250 nan 0.000 0.360 12 G N 0.782 109.732 108.800 0.250 0.000 2.629 12 G HA2 -0.361 3.600 3.960 0.001 0.000 0.313 12 G HA3 -0.361 3.600 3.960 0.001 0.000 0.313 12 G C 0.644 175.716 174.900 0.286 0.000 1.217 12 G CA 0.760 45.999 45.100 0.231 0.000 0.994 12 G HN 0.741 nan 8.290 nan 0.000 0.549 13 S N -0.127 115.746 115.700 0.287 0.000 2.575 13 S HA 0.313 4.783 4.470 0.001 0.000 0.215 13 S C 1.361 175.991 174.600 0.050 0.000 0.966 13 S CA 1.074 59.382 58.200 0.180 0.000 0.911 13 S CB 0.080 63.303 63.200 0.040 0.000 0.780 13 S HN 0.482 nan 8.310 nan 0.000 0.514 14 Y N 1.181 121.619 120.300 0.229 0.000 2.462 14 Y HA 0.543 5.094 4.550 0.001 0.000 0.253 14 Y C 0.807 176.746 175.900 0.064 0.000 1.095 14 Y CA -0.144 58.027 58.100 0.118 0.000 1.283 14 Y CB 0.618 39.051 38.460 -0.046 0.000 1.138 14 Y HN 0.198 nan 8.280 nan 0.000 0.522 15 A N 0.296 123.232 122.820 0.192 0.000 2.497 15 A HA 0.661 4.982 4.320 0.001 0.000 0.280 15 A C -1.816 175.814 177.584 0.077 0.000 1.065 15 A CA -0.515 51.562 52.037 0.066 0.000 0.781 15 A CB 0.040 19.183 19.000 0.239 0.000 1.289 15 A HN 0.252 nan 8.150 nan 0.000 0.415 16 Y N 0.874 121.084 120.300 -0.151 0.000 2.558 16 Y HA 0.818 5.368 4.550 0.002 0.000 0.333 16 Y C -3.359 172.405 175.900 -0.226 0.000 1.125 16 Y CA -2.679 55.331 58.100 -0.149 0.000 1.039 16 Y CB 1.272 39.751 38.460 0.031 0.000 1.331 16 Y HN 0.386 nan 8.280 nan 0.000 0.456 17 P HA 0.338 nan 4.420 nan 0.000 0.281 17 P C 0.287 177.657 177.300 0.117 0.000 1.249 17 P CA -0.382 62.677 63.100 -0.070 0.000 0.810 17 P CB 2.297 33.972 31.700 -0.043 0.000 1.008 18 I N -1.163 119.427 120.570 0.033 0.000 4.181 18 I HA 0.227 4.398 4.170 0.001 0.000 0.331 18 I C 0.351 176.492 176.117 0.041 0.000 1.312 18 I CA -0.147 61.198 61.300 0.076 0.000 1.146 18 I CB 0.303 38.327 38.000 0.039 0.000 1.074 18 I HN 0.313 nan 8.210 nan 0.000 0.402 19 S N -0.605 115.105 115.700 0.016 0.000 2.672 19 S HA 0.311 4.781 4.470 0.001 0.000 0.271 19 S C 0.297 174.900 174.600 0.005 0.000 1.171 19 S CA -0.560 57.648 58.200 0.015 0.000 0.817 19 S CB 1.813 65.012 63.200 -0.003 0.000 1.150 19 S HN 0.189 nan 8.310 nan 0.000 0.478 20 E N 0.167 120.372 120.200 0.008 0.000 2.268 20 E HA -0.057 4.294 4.350 0.001 0.000 0.195 20 E C 1.028 177.598 176.600 -0.050 0.000 0.995 20 E CA 1.562 57.959 56.400 -0.004 0.000 0.836 20 E CB -0.030 29.677 29.700 0.011 0.000 0.763 20 E HN 0.775 nan 8.360 nan 0.000 0.491 21 T N -2.705 111.820 114.554 -0.048 0.000 3.132 21 T HA 0.226 4.577 4.350 0.001 0.000 0.274 21 T C 0.079 174.733 174.700 -0.077 0.000 1.011 21 T CA -0.542 61.520 62.100 -0.063 0.000 0.899 21 T CB 0.380 69.225 68.868 -0.039 0.000 1.089 21 T HN -0.088 nan 8.240 nan 0.000 0.543 22 Q N 1.139 120.883 119.800 -0.095 0.000 2.292 22 Q HA 0.630 4.971 4.340 0.001 0.000 0.270 22 Q C -1.917 173.961 176.000 -0.204 0.000 1.024 22 Q CA -0.896 54.826 55.803 -0.134 0.000 0.768 22 Q CB 2.791 31.471 28.738 -0.098 0.000 1.250 22 Q HN 0.233 nan 8.270 nan 0.000 0.447 23 L N 2.604 123.647 121.223 -0.300 0.000 2.298 23 L HA 0.504 4.845 4.340 0.001 0.000 0.284 23 L C -0.823 175.766 176.870 -0.468 0.000 1.013 23 L CA -0.378 54.206 54.840 -0.425 0.000 0.824 23 L CB 1.134 42.888 42.059 -0.509 0.000 1.221 23 L HN 0.465 nan 8.230 nan 0.000 0.418 24 R N 3.821 123.999 120.500 -0.537 0.000 2.390 24 R HA 0.710 5.051 4.340 0.001 0.000 0.291 24 R C -1.307 174.664 176.300 -0.547 0.000 1.070 24 R CA -0.262 55.505 56.100 -0.553 0.000 1.014 24 R CB 1.002 30.854 30.300 -0.746 0.000 1.007 24 R HN 0.523 nan 8.270 nan 0.000 0.466 25 V N 1.519 121.240 119.914 -0.321 0.000 2.760 25 V HA 0.713 4.834 4.120 0.001 0.000 0.309 25 V C -0.694 175.456 176.094 0.094 0.000 1.077 25 V CA -1.032 61.212 62.300 -0.093 0.000 0.910 25 V CB 2.088 33.819 31.823 -0.153 0.000 1.008 25 V HN 0.772 nan 8.190 nan 0.000 0.424 26 R N 3.347 124.005 120.500 0.264 0.000 2.807 26 R HA 0.861 5.201 4.340 0.001 0.000 0.276 26 R C -1.527 175.110 176.300 0.561 0.000 0.979 26 R CA -0.815 55.471 56.100 0.310 0.000 0.928 26 R CB 2.861 33.213 30.300 0.088 0.000 1.191 26 R HN 0.877 nan 8.270 nan 0.000 0.471 27 L N 1.775 123.268 121.223 0.450 0.000 2.455 27 L HA 0.575 4.916 4.340 0.001 0.000 0.264 27 L C -1.166 175.920 176.870 0.361 0.000 0.968 27 L CA -0.819 54.221 54.840 0.333 0.000 0.827 27 L CB 2.089 44.088 42.059 -0.100 0.000 1.317 27 L HN 0.724 nan 8.230 nan 0.000 0.407 28 R N 4.201 124.854 120.500 0.255 0.000 2.711 28 R HA 0.988 5.328 4.340 0.001 0.000 0.284 28 R C -1.418 174.948 176.300 0.111 0.000 0.968 28 R CA -0.546 55.565 56.100 0.018 0.000 0.924 28 R CB 2.061 32.123 30.300 -0.397 0.000 1.162 28 R HN 0.662 nan 8.270 nan 0.000 0.465 29 A N 1.812 124.745 122.820 0.189 0.000 2.587 29 A HA 0.411 4.732 4.320 0.001 0.000 0.293 29 A C -1.194 176.550 177.584 0.267 0.000 1.087 29 A CA -1.051 51.128 52.037 0.236 0.000 0.692 29 A CB 1.545 20.674 19.000 0.215 0.000 1.291 29 A HN 0.817 nan 8.150 nan 0.000 0.407 30 K N 1.211 121.695 120.400 0.141 0.000 2.524 30 K HA 0.002 4.323 4.320 0.001 0.000 0.279 30 K C 0.272 176.859 176.600 -0.022 0.000 0.993 30 K CA 0.147 56.404 56.287 -0.050 0.000 1.030 30 K CB 0.330 32.775 32.500 -0.091 0.000 0.891 30 K HN 0.652 nan 8.250 nan 0.000 0.488 31 K N 2.916 123.262 120.400 -0.090 0.000 2.491 31 K HA -0.110 4.210 4.320 0.001 0.000 0.279 31 K C 0.657 177.253 176.600 -0.007 0.000 1.026 31 K CA 1.227 57.494 56.287 -0.035 0.000 1.070 31 K CB -0.141 32.322 32.500 -0.062 0.000 0.887 31 K HN 0.879 nan 8.250 nan 0.000 0.481 32 G N 3.854 112.677 108.800 0.038 0.000 2.253 32 G HA2 -0.314 3.646 3.960 0.001 0.000 0.251 32 G HA3 -0.314 3.646 3.960 0.001 0.000 0.251 32 G C 0.724 175.655 174.900 0.052 0.000 0.998 32 G CA 0.518 45.645 45.100 0.044 0.000 0.621 32 G HN 0.802 nan 8.290 nan 0.000 0.524 33 D N -0.155 120.275 120.400 0.050 0.000 2.117 33 D HA 0.158 4.799 4.640 0.001 0.000 0.198 33 D C 1.190 177.520 176.300 0.049 0.000 0.982 33 D CA 1.498 55.517 54.000 0.033 0.000 0.828 33 D CB 0.145 40.954 40.800 0.014 0.000 0.967 33 D HN 0.386 nan 8.370 nan 0.000 0.464 34 V N 0.412 120.396 119.914 0.117 0.000 2.459 34 V HA 0.207 4.328 4.120 0.001 0.000 0.295 34 V C 0.908 177.097 176.094 0.158 0.000 1.029 34 V CA -0.528 61.816 62.300 0.074 0.000 0.874 34 V CB 2.060 33.874 31.823 -0.015 0.000 0.985 34 V HN -0.135 nan 8.190 nan 0.000 0.438 35 V N 3.901 123.849 119.914 0.057 0.000 3.263 35 V HA 0.284 4.405 4.120 0.001 0.000 0.248 35 V C 0.750 176.879 176.094 0.057 0.000 1.145 35 V CA 0.645 63.008 62.300 0.105 0.000 1.107 35 V CB 0.232 32.093 31.823 0.065 0.000 0.797 35 V HN 0.803 nan 8.190 nan 0.000 0.467 36 R N -0.392 120.054 120.500 -0.090 0.000 2.564 36 R HA 0.559 4.899 4.340 0.001 0.000 0.284 36 R C -1.877 174.252 176.300 -0.285 0.000 1.031 36 R CA -0.315 55.712 56.100 -0.122 0.000 0.904 36 R CB 1.846 32.126 30.300 -0.035 0.000 1.199 36 R HN 0.240 nan 8.270 nan 0.000 0.443 37 C N 3.925 123.026 119.300 -0.332 0.000 2.346 37 C HA 0.550 5.011 4.460 0.001 0.000 0.326 37 C C -0.701 174.284 174.990 -0.009 0.000 1.224 37 C CA -0.254 58.597 59.018 -0.278 0.000 1.408 37 C CB 0.935 28.314 27.740 -0.602 0.000 2.089 37 C HN 1.006 nan 8.230 nan 0.000 0.456 38 E N 3.747 123.988 120.200 0.067 0.000 2.256 38 E HA 0.751 5.102 4.350 0.001 0.000 0.267 38 E C -1.500 175.171 176.600 0.119 0.000 0.892 38 E CA -0.539 55.920 56.400 0.099 0.000 0.775 38 E CB 2.108 31.855 29.700 0.078 0.000 1.207 38 E HN 0.580 nan 8.360 nan 0.000 0.420 39 V N 4.094 124.047 119.914 0.065 0.000 2.409 39 V HA 0.350 4.471 4.120 0.001 0.000 0.291 39 V C -0.847 175.263 176.094 0.027 0.000 1.020 39 V CA -0.879 61.396 62.300 -0.043 0.000 0.848 39 V CB 1.119 32.831 31.823 -0.185 0.000 0.990 39 V HN 0.537 nan 8.190 nan 0.000 0.430 40 L N 6.920 128.132 121.223 -0.019 0.000 2.287 40 L HA 0.654 4.994 4.340 0.001 0.000 0.287 40 L C -0.413 176.503 176.870 0.077 0.000 1.022 40 L CA -0.262 54.523 54.840 -0.091 0.000 0.814 40 L CB 0.601 42.571 42.059 -0.147 0.000 1.217 40 L HN 0.760 nan 8.230 nan 0.000 0.420 41 Y N 1.528 121.770 120.300 -0.097 0.000 2.644 41 Y HA 1.004 5.555 4.550 0.002 0.000 0.338 41 Y C -0.666 175.223 175.900 -0.018 0.000 1.119 41 Y CA -1.314 56.769 58.100 -0.028 0.000 1.060 41 Y CB 1.736 40.177 38.460 -0.032 0.000 1.294 41 Y HN 0.673 nan 8.280 nan 0.000 0.472 42 A N 0.867 123.747 122.820 0.101 0.000 2.566 42 A HA 0.429 4.750 4.320 0.001 0.000 0.290 42 A C -1.931 175.718 177.584 0.108 0.000 1.071 42 A CA -0.594 51.450 52.037 0.013 0.000 0.658 42 A CB 0.933 19.910 19.000 -0.039 0.000 1.285 42 A HN 0.932 nan 8.150 nan 0.000 0.427 43 D N -0.176 120.276 120.400 0.085 0.000 2.443 43 D HA 0.204 4.845 4.640 0.001 0.000 0.239 43 D C 1.217 177.580 176.300 0.105 0.000 1.136 43 D CA 0.213 54.282 54.000 0.116 0.000 0.879 43 D CB 0.627 41.497 40.800 0.116 0.000 1.195 43 D HN 0.447 nan 8.370 nan 0.000 0.443 44 R N 2.036 122.602 120.500 0.110 0.000 2.200 44 R HA -0.179 4.162 4.340 0.001 0.000 0.234 44 R C 0.760 176.963 176.300 -0.162 0.000 1.127 44 R CA 1.152 57.233 56.100 -0.032 0.000 0.989 44 R CB -0.194 30.058 30.300 -0.081 0.000 0.869 44 R HN 0.618 nan 8.270 nan 0.000 0.459 45 Y N -0.236 120.080 120.300 0.027 0.000 2.485 45 Y HA 0.325 4.876 4.550 0.001 0.000 0.260 45 Y C 0.773 176.677 175.900 0.007 0.000 1.173 45 Y CA -0.595 57.515 58.100 0.017 0.000 1.252 45 Y CB 0.182 38.656 38.460 0.023 0.000 1.123 45 Y HN -0.020 nan 8.280 nan 0.000 0.524 46 A N 0.451 123.335 122.820 0.107 0.000 2.498 46 A HA 0.204 4.525 4.320 0.001 0.000 0.239 46 A C 0.813 178.415 177.584 0.029 0.000 1.068 46 A CA 0.026 52.098 52.037 0.058 0.000 0.766 46 A CB 0.059 19.075 19.000 0.027 0.000 1.003 46 A HN 0.248 nan 8.150 nan 0.000 0.497 47 S N 2.740 118.454 115.700 0.024 0.000 2.560 47 S HA 0.209 4.680 4.470 0.001 0.000 0.284 47 S C -0.846 173.749 174.600 -0.009 0.000 1.327 47 S CA -0.566 57.639 58.200 0.010 0.000 1.055 47 S CB 0.386 63.591 63.200 0.009 0.000 0.868 47 S HN 0.596 nan 8.310 nan 0.000 0.506 48 P HA -0.051 nan 4.420 nan 0.000 0.231 48 P C 0.360 177.642 177.300 -0.029 0.000 1.158 48 P CA 0.978 64.059 63.100 -0.032 0.000 0.763 48 P CB 0.109 31.788 31.700 -0.035 0.000 0.805 49 E N -0.237 119.951 120.200 -0.020 0.000 2.389 49 E HA 0.038 4.389 4.350 0.001 0.000 0.199 49 E C 0.421 177.012 176.600 -0.015 0.000 0.978 49 E CA -0.105 56.284 56.400 -0.017 0.000 0.912 49 E CB 0.161 29.854 29.700 -0.012 0.000 0.907 49 E HN 0.488 nan 8.360 nan 0.000 0.494 50 E N 1.810 122.002 120.200 -0.014 0.000 2.422 50 E HA 0.010 4.361 4.350 0.001 0.000 0.260 50 E C 0.023 176.612 176.600 -0.019 0.000 1.108 50 E CA 0.126 56.517 56.400 -0.015 0.000 0.943 50 E CB 0.560 30.252 29.700 -0.013 0.000 0.961 50 E HN 0.023 nan 8.360 nan 0.000 0.443 51 E N 1.254 121.444 120.200 -0.016 0.000 2.366 51 E HA 0.141 4.491 4.350 0.001 0.000 0.266 51 E C -0.272 176.310 176.600 -0.030 0.000 1.051 51 E CA -0.061 56.335 56.400 -0.007 0.000 0.884 51 E CB 0.739 30.442 29.700 0.006 0.000 1.006 51 E HN 0.297 nan 8.360 nan 0.000 0.417 52 L N 1.459 122.664 121.223 -0.029 0.000 2.357 52 L HA 0.392 4.733 4.340 0.001 0.000 0.273 52 L C 0.564 177.361 176.870 -0.121 0.000 1.080 52 L CA -0.753 54.018 54.840 -0.115 0.000 0.803 52 L CB 1.277 43.251 42.059 -0.142 0.000 1.174 52 L HN 0.476 nan 8.230 nan 0.000 0.443 53 A N 1.408 124.013 122.820 -0.359 0.000 2.332 53 A HA 0.441 4.761 4.320 0.001 0.000 0.258 53 A C -0.805 176.615 177.584 -0.273 0.000 1.087 53 A CA -0.168 51.637 52.037 -0.386 0.000 0.802 53 A CB 0.050 18.523 19.000 -0.879 0.000 1.042 53 A HN 0.721 nan 8.150 nan 0.000 0.489 54 H N -0.657 118.328 119.070 -0.141 0.000 2.524 54 H HA 0.687 5.244 4.556 0.001 0.000 0.353 54 H C -0.149 175.278 175.328 0.165 0.000 1.136 54 H CA 0.382 56.451 56.048 0.036 0.000 1.193 54 H CB 1.855 31.632 29.762 0.026 0.000 1.558 54 H HN 0.864 nan 8.280 nan 0.000 0.515 55 A N 2.909 125.900 122.820 0.285 0.000 2.414 55 A HA 0.420 4.741 4.320 0.001 0.000 0.286 55 A C -1.453 176.211 177.584 0.133 0.000 1.073 55 A CA -0.624 51.535 52.037 0.203 0.000 0.727 55 A CB 0.684 19.769 19.000 0.142 0.000 1.215 55 A HN 0.531 nan 8.150 nan 0.000 0.430 56 L N 2.960 124.256 121.223 0.121 0.000 2.313 56 L HA 0.646 4.987 4.340 0.001 0.000 0.282 56 L C 0.532 177.472 176.870 0.117 0.000 1.092 56 L CA 0.160 55.069 54.840 0.114 0.000 0.831 56 L CB 1.019 43.141 42.059 0.105 0.000 1.159 56 L HN 0.818 nan 8.230 nan 0.000 0.442 57 A N 4.968 127.875 122.820 0.146 0.000 2.391 57 A HA 0.626 4.946 4.320 0.001 0.000 0.316 57 A C 0.581 178.335 177.584 0.284 0.000 1.381 57 A CA -0.011 52.147 52.037 0.202 0.000 0.998 57 A CB -0.572 18.584 19.000 0.261 0.000 1.147 57 A HN 0.903 nan 8.150 nan 0.000 0.545 58 G N 1.298 110.231 108.800 0.222 0.000 2.527 58 G HA2 0.337 4.298 3.960 0.001 0.000 0.248 58 G HA3 0.337 4.298 3.960 0.001 0.000 0.248 58 G C 0.174 175.224 174.900 0.249 0.000 1.231 58 G CA -0.596 44.640 45.100 0.227 0.000 0.838 58 G HN 0.798 nan 8.290 nan 0.000 0.570 59 K N 1.265 121.775 120.400 0.184 0.000 2.336 59 K HA 0.323 4.644 4.320 0.001 0.000 0.290 59 K C 1.263 177.847 176.600 -0.027 0.000 1.067 59 K CA 0.069 56.308 56.287 -0.081 0.000 0.962 59 K CB 0.313 32.740 32.500 -0.122 0.000 1.008 59 K HN 0.410 nan 8.250 nan 0.000 0.467 60 A N 3.784 126.594 122.820 -0.017 0.000 2.119 60 A HA 0.180 4.501 4.320 0.001 0.000 0.216 60 A C 0.846 178.435 177.584 0.009 0.000 1.152 60 A CA 1.128 53.173 52.037 0.014 0.000 0.708 60 A CB -0.103 18.910 19.000 0.021 0.000 0.805 60 A HN 0.888 nan 8.150 nan 0.000 0.460 61 G N -2.297 106.510 108.800 0.013 0.000 2.324 61 G HA2 0.513 4.473 3.960 0.001 0.000 0.293 61 G HA3 0.513 4.473 3.960 0.001 0.000 0.293 61 G C -0.904 174.083 174.900 0.146 0.000 1.297 61 G CA 0.104 45.237 45.100 0.054 0.000 0.853 61 G HN 1.347 nan 8.290 nan 0.000 0.535 62 S N -0.480 115.322 115.700 0.170 0.000 2.535 62 S HA 0.734 5.205 4.470 0.001 0.000 0.272 62 S C -0.911 173.804 174.600 0.192 0.000 1.149 62 S CA 0.054 58.388 58.200 0.224 0.000 0.888 62 S CB 2.501 65.749 63.200 0.079 0.000 1.110 62 S HN 1.326 nan 8.310 nan 0.000 0.463 63 D N 1.161 121.717 120.400 0.259 0.000 2.535 63 D HA 0.425 5.065 4.640 0.001 0.000 0.240 63 D C 1.095 177.441 176.300 0.077 0.000 1.200 63 D CA -0.409 53.686 54.000 0.158 0.000 1.088 63 D CB -0.391 40.548 40.800 0.231 0.000 1.197 63 D HN 0.465 nan 8.370 nan 0.000 0.620 64 E N -0.790 119.439 120.200 0.047 0.000 2.085 64 E HA -0.118 4.233 4.350 0.001 0.000 0.194 64 E C 1.794 178.351 176.600 -0.070 0.000 0.994 64 E CA 1.733 58.126 56.400 -0.011 0.000 0.801 64 E CB 0.137 29.827 29.700 -0.016 0.000 0.743 64 E HN 0.405 nan 8.360 nan 0.000 0.453 65 R N -2.167 118.258 120.500 -0.126 0.000 2.394 65 R HA 0.247 4.588 4.340 0.001 0.000 0.220 65 R C -0.293 175.647 176.300 -0.600 0.000 0.887 65 R CA -0.182 55.674 56.100 -0.407 0.000 1.034 65 R CB 0.753 30.670 30.300 -0.638 0.000 1.179 65 R HN -0.000 nan 8.270 nan 0.000 0.561 66 F N 0.131 120.030 119.950 -0.084 0.000 2.618 66 F HA 0.408 4.936 4.527 0.001 0.000 0.332 66 F C -0.071 175.591 175.800 -0.231 0.000 1.061 66 F CA -1.213 56.658 58.000 -0.215 0.000 0.974 66 F CB 1.302 40.020 39.000 -0.470 0.000 1.310 66 F HN -0.306 nan 8.300 nan 0.000 0.491 67 D N 0.008 120.371 120.400 -0.062 0.000 2.248 67 D HA 0.334 4.975 4.640 0.001 0.000 0.246 67 D C -1.477 174.601 176.300 -0.370 0.000 1.027 67 D CA -0.250 53.645 54.000 -0.174 0.000 0.853 67 D CB 1.631 42.326 40.800 -0.176 0.000 1.243 67 D HN 0.284 nan 8.370 nan 0.000 0.462 68 Y N 1.086 121.218 120.300 -0.279 0.000 2.331 68 Y HA 0.417 4.968 4.550 0.001 0.000 0.334 68 Y C -0.369 175.314 175.900 -0.362 0.000 0.960 68 Y CA -0.831 57.169 58.100 -0.166 0.000 1.130 68 Y CB 1.026 39.455 38.460 -0.051 0.000 1.164 68 Y HN 0.160 nan 8.280 nan 0.000 0.458 69 F N 1.736 121.818 119.950 0.220 0.000 2.450 69 F HA 0.499 5.027 4.527 0.002 0.000 0.332 69 F C 0.107 176.003 175.800 0.160 0.000 1.093 69 F CA -0.915 57.183 58.000 0.163 0.000 1.003 69 F CB 1.692 40.769 39.000 0.128 0.000 1.151 69 F HN 0.390 nan 8.300 nan 0.000 0.474 70 E N 1.649 122.014 120.200 0.275 0.000 2.272 70 E HA 0.807 5.158 4.350 0.001 0.000 0.269 70 E C -1.670 175.003 176.600 0.123 0.000 0.877 70 E CA -0.806 55.691 56.400 0.162 0.000 0.755 70 E CB 1.980 31.730 29.700 0.084 0.000 1.192 70 E HN 0.759 nan 8.360 nan 0.000 0.422 71 A N 3.202 126.054 122.820 0.052 0.000 2.515 71 A HA 0.689 5.010 4.320 0.001 0.000 0.296 71 A C -1.979 175.530 177.584 -0.126 0.000 1.094 71 A CA -0.700 51.330 52.037 -0.011 0.000 0.718 71 A CB 1.504 20.503 19.000 -0.001 0.000 1.307 71 A HN 0.463 nan 8.150 nan 0.000 0.408 72 L N 1.286 122.427 121.223 -0.137 0.000 2.325 72 L HA 0.700 5.041 4.340 0.001 0.000 0.281 72 L C -1.637 175.069 176.870 -0.273 0.000 1.004 72 L CA -0.528 54.194 54.840 -0.196 0.000 0.823 72 L CB 1.290 43.279 42.059 -0.117 0.000 1.236 72 L HN 0.525 nan 8.230 nan 0.000 0.415 73 L N 4.902 125.868 121.223 -0.429 0.000 2.282 73 L HA 0.477 4.818 4.340 0.001 0.000 0.288 73 L C 0.000 176.669 176.870 -0.335 0.000 1.033 73 L CA -0.265 54.177 54.840 -0.664 0.000 0.807 73 L CB 1.264 42.700 42.059 -1.038 0.000 1.209 73 L HN 0.490 nan 8.230 nan 0.000 0.423 74 E N 2.724 122.873 120.200 -0.085 0.000 2.044 74 E HA 0.218 4.568 4.350 0.001 0.000 0.282 74 E C -0.900 175.774 176.600 0.124 0.000 1.031 74 E CA -0.055 56.371 56.400 0.043 0.000 0.824 74 E CB 0.855 30.618 29.700 0.104 0.000 1.076 74 E HN 0.463 nan 8.360 nan 0.000 0.395 75 C N 2.706 122.018 119.300 0.020 0.000 2.439 75 C HA 0.134 4.595 4.460 0.001 0.000 0.298 75 C C 1.859 176.847 174.990 -0.004 0.000 1.094 75 C CA -0.702 58.338 59.018 0.036 0.000 1.609 75 C CB -0.936 26.793 27.740 -0.018 0.000 1.723 75 C HN 0.689 nan 8.230 nan 0.000 0.423 76 S N 1.025 116.734 115.700 0.014 0.000 2.419 76 S HA -0.188 4.283 4.470 0.001 0.000 0.233 76 S C 1.612 176.199 174.600 -0.022 0.000 1.016 76 S CA 1.995 60.192 58.200 -0.005 0.000 0.974 76 S CB -0.672 62.532 63.200 0.007 0.000 0.786 76 S HN 0.835 nan 8.310 nan 0.000 0.492 77 T N -1.212 113.333 114.554 -0.015 0.000 3.113 77 T HA 0.255 4.605 4.350 0.001 0.000 0.256 77 T C 0.656 175.283 174.700 -0.122 0.000 1.131 77 T CA 0.347 62.430 62.100 -0.028 0.000 1.074 77 T CB -0.651 68.231 68.868 0.022 0.000 0.944 77 T HN 0.518 nan 8.240 nan 0.000 0.516 78 K N 0.094 120.402 120.400 -0.154 0.000 3.391 78 K HA -0.154 4.166 4.320 0.001 0.000 0.307 78 K C -0.422 175.984 176.600 -0.324 0.000 1.304 78 K CA 0.706 56.807 56.287 -0.310 0.000 0.904 78 K CB -1.235 30.925 32.500 -0.567 0.000 1.293 78 K HN 0.536 nan 8.250 nan 0.000 0.470 79 R N 0.231 120.671 120.500 -0.100 0.000 2.574 79 R HA 0.645 4.986 4.340 0.001 0.000 0.288 79 R C -1.265 175.102 176.300 0.111 0.000 1.004 79 R CA -0.817 55.309 56.100 0.044 0.000 0.895 79 R CB 2.772 33.162 30.300 0.150 0.000 1.191 79 R HN -0.020 nan 8.270 nan 0.000 0.444 80 V N 2.768 122.782 119.914 0.166 0.000 2.932 80 V HA 0.542 4.663 4.120 0.001 0.000 0.307 80 V C -1.609 174.646 176.094 0.268 0.000 1.147 80 V CA -0.752 61.672 62.300 0.205 0.000 0.951 80 V CB 2.344 34.264 31.823 0.163 0.000 1.031 80 V HN 0.818 nan 8.190 nan 0.000 0.426 81 K N 5.442 125.984 120.400 0.237 0.000 2.316 81 K HA 0.838 5.158 4.320 0.001 0.000 0.251 81 K C -1.616 175.125 176.600 0.235 0.000 0.934 81 K CA -0.661 55.710 56.287 0.140 0.000 0.802 81 K CB 2.178 34.679 32.500 0.003 0.000 1.171 81 K HN 0.821 nan 8.250 nan 0.000 0.426 82 Y N -1.776 118.507 120.300 -0.028 0.000 2.624 82 Y HA 0.689 5.240 4.550 0.001 0.000 0.334 82 Y C -1.832 173.967 175.900 -0.168 0.000 1.155 82 Y CA -1.402 56.641 58.100 -0.095 0.000 1.046 82 Y CB 1.411 39.765 38.460 -0.177 0.000 1.316 82 Y HN 0.403 nan 8.280 nan 0.000 0.457 83 V N 2.543 122.391 119.914 -0.110 0.000 2.925 83 V HA 0.652 4.772 4.120 0.001 0.000 0.311 83 V C -1.724 174.311 176.094 -0.098 0.000 1.104 83 V CA -1.172 61.054 62.300 -0.124 0.000 0.954 83 V CB 1.984 33.785 31.823 -0.036 0.000 1.022 83 V HN 0.708 nan 8.190 nan 0.000 0.427 84 F N 5.355 125.387 119.950 0.137 0.000 2.399 84 F HA 0.561 5.088 4.527 0.001 0.000 0.334 84 F C 0.135 176.009 175.800 0.124 0.000 1.097 84 F CA -0.483 57.603 58.000 0.143 0.000 1.076 84 F CB 1.543 40.659 39.000 0.194 0.000 1.162 84 F HN 0.272 nan 8.300 nan 0.000 0.495 85 L N 5.355 126.692 121.223 0.190 0.000 2.294 85 L HA 0.528 4.869 4.340 0.001 0.000 0.283 85 L C -1.411 175.436 176.870 -0.039 0.000 1.015 85 L CA -0.500 54.285 54.840 -0.092 0.000 0.831 85 L CB 0.701 42.669 42.059 -0.152 0.000 1.217 85 L HN 0.566 nan 8.230 nan 0.000 0.420 86 L N 4.304 125.495 121.223 -0.054 0.000 2.307 86 L HA 0.576 4.917 4.340 0.001 0.000 0.284 86 L C -0.241 176.576 176.870 -0.089 0.000 1.023 86 L CA -0.450 54.352 54.840 -0.062 0.000 0.810 86 L CB 1.954 44.010 42.059 -0.004 0.000 1.231 86 L HN 0.481 nan 8.230 nan 0.000 0.423 87 T N 1.204 115.700 114.554 -0.097 0.000 2.824 87 T HA 0.558 4.909 4.350 0.001 0.000 0.282 87 T C 0.321 174.992 174.700 -0.049 0.000 0.993 87 T CA -0.574 61.487 62.100 -0.066 0.000 0.967 87 T CB 1.900 70.738 68.868 -0.050 0.000 0.960 87 T HN 0.739 nan 8.240 nan 0.000 0.441 88 G N 2.062 110.843 108.800 -0.031 0.000 2.535 88 G HA2 0.470 4.431 3.960 0.001 0.000 0.303 88 G HA3 0.470 4.431 3.960 0.001 0.000 0.303 88 G C -1.738 173.162 174.900 -0.001 0.000 1.237 88 G CA -1.716 43.374 45.100 -0.016 0.000 0.986 88 G HN 0.392 nan 8.290 nan 0.000 0.494 89 P HA -0.067 nan 4.420 nan 0.000 0.218 89 P C 1.229 178.534 177.300 0.008 0.000 1.148 89 P CA 1.159 64.267 63.100 0.014 0.000 0.822 89 P CB 0.252 31.961 31.700 0.014 0.000 0.784 90 Q N -1.706 118.095 119.800 0.002 0.000 2.222 90 Q HA 0.308 4.649 4.340 0.001 0.000 0.206 90 Q C 1.048 177.049 176.000 0.001 0.000 0.877 90 Q CA 0.369 56.173 55.803 0.002 0.000 0.958 90 Q CB -0.116 28.621 28.738 -0.002 0.000 1.075 90 Q HN 0.184 nan 8.270 nan 0.000 0.483 91 G N 1.777 110.577 108.800 0.000 0.000 2.179 91 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 91 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 91 G C 0.083 174.979 174.900 -0.007 0.000 0.977 91 G CA 0.384 45.483 45.100 -0.001 0.000 0.641 91 G HN 0.472 nan 8.290 nan 0.000 0.533 92 E N 0.993 121.187 120.200 -0.010 0.000 2.324 92 E HA 0.579 4.929 4.350 0.001 0.000 0.271 92 E C 0.142 176.727 176.600 -0.025 0.000 1.028 92 E CA 0.335 56.728 56.400 -0.012 0.000 0.890 92 E CB 1.296 30.988 29.700 -0.013 0.000 1.004 92 E HN 1.166 nan 8.360 nan 0.000 0.431 93 A N 3.151 125.953 122.820 -0.029 0.000 2.330 93 A HA 0.715 5.036 4.320 0.001 0.000 0.329 93 A C -0.909 176.640 177.584 -0.058 0.000 1.135 93 A CA -0.722 51.274 52.037 -0.068 0.000 0.817 93 A CB 2.088 21.026 19.000 -0.103 0.000 1.269 93 A HN 0.601 nan 8.150 nan 0.000 0.469 94 V N 0.947 120.804 119.914 -0.095 0.000 3.077 94 V HA 0.550 4.671 4.120 0.001 0.000 0.299 94 V C -2.098 173.981 176.094 -0.026 0.000 1.276 94 V CA -0.617 61.690 62.300 0.012 0.000 0.993 94 V CB 1.915 33.813 31.823 0.125 0.000 1.076 94 V HN 0.840 nan 8.190 nan 0.000 0.434 95 Y N 5.090 125.504 120.300 0.190 0.000 2.323 95 Y HA 0.568 5.119 4.550 0.001 0.000 0.331 95 Y C -0.252 175.808 175.900 0.266 0.000 1.092 95 Y CA -0.279 57.935 58.100 0.190 0.000 1.150 95 Y CB 1.637 40.154 38.460 0.095 0.000 1.200 95 Y HN 0.628 nan 8.280 nan 0.000 0.472 96 F N 2.939 123.012 119.950 0.206 0.000 2.496 96 F HA 0.766 5.293 4.527 0.001 0.000 0.341 96 F C -0.100 175.732 175.800 0.054 0.000 1.134 96 F CA -0.399 57.581 58.000 -0.033 0.000 0.968 96 F CB 0.720 39.745 39.000 0.042 0.000 1.205 96 F HN 0.598 nan 8.300 nan 0.000 0.436 97 G N 3.713 112.277 108.800 -0.393 0.000 2.798 97 G HA2 0.149 4.110 3.960 0.001 0.000 0.286 97 G HA3 0.149 4.110 3.960 0.001 0.000 0.286 97 G C -0.082 174.038 174.900 -1.300 0.000 1.389 97 G CA -0.552 44.053 45.100 -0.825 0.000 0.894 97 G HN 0.694 nan 8.290 nan 0.000 0.488 98 E N -0.983 118.243 120.200 -1.623 0.000 2.160 98 E HA -0.158 4.192 4.350 0.001 0.000 0.195 98 E C 2.068 178.348 176.600 -0.533 0.000 0.991 98 E CA 1.878 57.566 56.400 -1.187 0.000 0.810 98 E CB 0.010 29.233 29.700 -0.796 0.000 0.742 98 E HN 0.441 nan 8.360 nan 0.000 0.466 99 T N -0.548 113.757 114.554 -0.414 0.000 2.904 99 T HA 0.170 4.520 4.350 0.001 0.000 0.267 99 T C 0.744 175.363 174.700 -0.135 0.000 1.059 99 T CA 0.778 62.748 62.100 -0.216 0.000 1.137 99 T CB 0.347 69.114 68.868 -0.169 0.000 0.879 99 T HN 0.477 nan 8.240 nan 0.000 0.467 100 G N 0.257 108.951 108.800 -0.177 0.000 2.288 100 G HA2 0.292 4.253 3.960 0.001 0.000 0.227 100 G HA3 0.292 4.253 3.960 0.001 0.000 0.227 100 G C -1.834 172.975 174.900 -0.152 0.000 1.339 100 G CA -1.111 43.939 45.100 -0.083 0.000 1.057 100 G HN 0.160 nan 8.290 nan 0.000 0.470 101 F N 0.913 120.966 119.950 0.171 0.000 2.480 101 F HA 0.872 5.400 4.527 0.001 0.000 0.329 101 F C 0.699 176.572 175.800 0.121 0.000 1.091 101 F CA -0.164 57.938 58.000 0.171 0.000 0.972 101 F CB 2.376 41.431 39.000 0.091 0.000 1.150 101 F HN 0.665 nan 8.300 nan 0.000 0.467 102 S N 0.278 116.172 115.700 0.324 0.000 2.565 102 S HA 0.616 5.087 4.470 0.001 0.000 0.274 102 S C 0.077 174.845 174.600 0.280 0.000 1.144 102 S CA -0.019 58.317 58.200 0.228 0.000 0.849 102 S CB 1.218 64.502 63.200 0.140 0.000 1.103 102 S HN 0.839 nan 8.310 nan 0.000 0.455 103 A N 1.916 124.865 122.820 0.215 0.000 2.067 103 A HA 0.273 4.594 4.320 0.001 0.000 0.217 103 A C 0.567 178.336 177.584 0.307 0.000 1.156 103 A CA 0.683 52.869 52.037 0.248 0.000 0.683 103 A CB -0.292 18.795 19.000 0.145 0.000 0.808 103 A HN 0.761 nan 8.150 nan 0.000 0.455 104 E N -0.399 119.894 120.200 0.154 0.000 2.146 104 E HA 0.278 4.628 4.350 0.001 0.000 0.282 104 E C 0.684 177.170 176.600 -0.189 0.000 0.989 104 E CA -0.509 55.884 56.400 -0.011 0.000 0.799 104 E CB 1.282 30.970 29.700 -0.021 0.000 1.088 104 E HN 0.413 nan 8.360 nan 0.000 0.397 105 R N 2.312 122.423 120.500 -0.649 0.000 2.080 105 R HA -0.205 4.135 4.340 0.001 0.000 0.236 105 R C 2.108 178.191 176.300 -0.362 0.000 1.137 105 R CA 2.414 57.977 56.100 -0.895 0.000 0.943 105 R CB -0.176 29.459 30.300 -1.109 0.000 0.846 105 R HN 0.603 nan 8.270 nan 0.000 0.431 106 S N 0.549 116.091 115.700 -0.262 0.000 2.387 106 S HA -0.192 4.279 4.470 0.001 0.000 0.230 106 S C 1.643 176.166 174.600 -0.129 0.000 1.035 106 S CA 1.612 59.711 58.200 -0.168 0.000 1.014 106 S CB -0.303 62.821 63.200 -0.126 0.000 0.836 106 S HN 0.452 nan 8.310 nan 0.000 0.466 107 K N 1.365 121.705 120.400 -0.100 0.000 2.432 107 K HA 0.295 4.616 4.320 0.001 0.000 0.196 107 K C 2.134 178.701 176.600 -0.056 0.000 1.038 107 K CA 0.657 56.907 56.287 -0.060 0.000 0.986 107 K CB -0.254 32.233 32.500 -0.021 0.000 0.782 107 K HN 0.524 nan 8.250 nan 0.000 0.485 108 A N 1.543 124.322 122.820 -0.068 0.000 2.123 108 A HA 0.217 4.538 4.320 0.001 0.000 0.214 108 A C 1.097 178.569 177.584 -0.186 0.000 1.152 108 A CA 0.849 52.848 52.037 -0.065 0.000 0.728 108 A CB -0.392 18.628 19.000 0.034 0.000 0.814 108 A HN 0.376 nan 8.150 nan 0.000 0.464 109 G N -1.912 106.773 108.800 -0.193 0.000 2.693 109 G HA2 0.048 4.008 3.960 0.001 0.000 0.226 109 G HA3 0.048 4.008 3.960 0.001 0.000 0.226 109 G C -0.330 174.378 174.900 -0.321 0.000 1.354 109 G CA -0.111 44.838 45.100 -0.251 0.000 0.873 109 G HN 1.426 nan 8.290 nan 0.000 0.562 110 V N -0.062 119.623 119.914 -0.382 0.000 2.808 110 V HA 0.709 4.830 4.120 0.001 0.000 0.308 110 V C -0.235 175.536 176.094 -0.538 0.000 1.099 110 V CA -0.985 61.065 62.300 -0.417 0.000 0.920 110 V CB 1.589 33.255 31.823 -0.261 0.000 1.014 110 V HN 0.879 nan 8.190 nan 0.000 0.425 111 F N 3.687 123.265 119.950 -0.620 0.000 2.406 111 F HA 0.563 5.091 4.527 0.001 0.000 0.327 111 F C 0.691 176.134 175.800 -0.594 0.000 1.153 111 F CA 0.186 57.787 58.000 -0.666 0.000 1.218 111 F CB 1.050 39.451 39.000 -0.999 0.000 1.215 111 F HN 0.383 nan 8.300 nan 0.000 0.570 112 Q N 1.496 121.272 119.800 -0.040 0.000 2.271 112 Q HA 0.200 4.540 4.340 0.001 0.000 0.268 112 Q C -1.871 174.265 176.000 0.226 0.000 1.021 112 Q CA -0.827 55.021 55.803 0.074 0.000 0.802 112 Q CB 2.656 31.392 28.738 -0.002 0.000 1.282 112 Q HN 0.593 nan 8.270 nan 0.000 0.431 113 Y N 1.581 122.014 120.300 0.221 0.000 2.721 113 Y HA 0.369 4.920 4.550 0.001 0.000 0.328 113 Y C 0.928 176.912 175.900 0.140 0.000 1.003 113 Y CA -0.120 58.091 58.100 0.186 0.000 1.275 113 Y CB 0.383 38.947 38.460 0.174 0.000 1.097 113 Y HN 0.953 nan 8.280 nan 0.000 0.514 114 A N 4.677 127.491 122.820 -0.010 0.000 1.906 114 A HA -0.259 4.061 4.320 0.001 0.000 0.222 114 A C -0.182 177.528 177.584 0.211 0.000 1.282 114 A CA 2.309 54.393 52.037 0.079 0.000 0.675 114 A CB -0.670 18.353 19.000 0.038 0.000 0.838 114 A HN 0.721 nan 8.150 nan 0.000 0.469 115 Y N -2.746 117.567 120.300 0.022 0.000 2.521 115 Y HA 0.532 5.083 4.550 0.001 0.000 0.332 115 Y C -1.233 174.717 175.900 0.083 0.000 1.121 115 Y CA -1.088 57.025 58.100 0.022 0.000 1.037 115 Y CB 1.216 39.620 38.460 -0.093 0.000 1.330 115 Y HN 0.146 nan 8.280 nan 0.000 0.452 116 I N 6.156 126.607 120.570 -0.197 0.000 2.307 116 I HA 0.244 4.414 4.170 0.001 0.000 0.287 116 I C -0.758 175.364 176.117 0.009 0.000 1.054 116 I CA -0.387 60.945 61.300 0.053 0.000 1.218 116 I CB 0.389 38.369 38.000 -0.033 0.000 1.398 116 I HN 0.615 nan 8.210 nan 0.000 0.475 117 H N 4.697 123.958 119.070 0.319 0.000 2.525 117 H HA 0.214 4.771 4.556 0.001 0.000 0.339 117 H C 1.282 176.718 175.328 0.179 0.000 1.109 117 H CA -0.497 55.728 56.048 0.295 0.000 1.352 117 H CB 1.130 31.035 29.762 0.239 0.000 1.461 117 H HN 0.487 nan 8.280 nan 0.000 0.533 118 R N 0.888 121.540 120.500 0.252 0.000 2.120 118 R HA -0.141 4.200 4.340 0.001 0.000 0.234 118 R C 1.485 177.880 176.300 0.158 0.000 1.123 118 R CA 1.708 57.907 56.100 0.165 0.000 0.975 118 R CB -0.291 30.086 30.300 0.127 0.000 0.866 118 R HN 0.567 nan 8.270 nan 0.000 0.446 119 S N 0.407 116.210 115.700 0.171 0.000 2.515 119 S HA -0.047 4.424 4.470 0.001 0.000 0.231 119 S C 1.103 175.773 174.600 0.116 0.000 0.987 119 S CA 0.791 59.063 58.200 0.120 0.000 0.936 119 S CB 0.055 63.308 63.200 0.087 0.000 0.766 119 S HN 0.562 nan 8.310 nan 0.000 0.528 120 E N 0.733 121.031 120.200 0.163 0.000 2.465 120 E HA 0.225 4.576 4.350 0.001 0.000 0.195 120 E C -0.832 175.866 176.600 0.163 0.000 1.028 120 E CA -0.214 56.274 56.400 0.147 0.000 0.899 120 E CB 0.845 30.659 29.700 0.191 0.000 1.032 120 E HN 0.293 nan 8.360 nan 0.000 0.468 121 V N 2.325 122.338 119.914 0.166 0.000 2.427 121 V HA 0.041 4.162 4.120 0.001 0.000 0.268 121 V C 0.087 176.314 176.094 0.222 0.000 1.046 121 V CA -0.157 62.251 62.300 0.180 0.000 0.970 121 V CB 0.026 31.933 31.823 0.141 0.000 1.001 121 V HN 0.250 nan 8.190 nan 0.000 0.476 122 F N 4.748 124.729 119.950 0.052 0.000 2.571 122 F HA 0.089 4.617 4.527 0.001 0.000 0.390 122 F C 0.590 176.394 175.800 0.007 0.000 1.043 122 F CA 0.198 58.206 58.000 0.012 0.000 1.164 122 F CB 0.364 39.340 39.000 -0.040 0.000 1.049 122 F HN 0.473 nan 8.300 nan 0.000 0.552 123 T N 3.839 118.658 114.554 0.441 0.000 2.841 123 T HA 0.362 4.713 4.350 0.001 0.000 0.285 123 T C -0.258 174.534 174.700 0.153 0.000 0.991 123 T CA -0.706 61.505 62.100 0.186 0.000 0.966 123 T CB 1.588 70.535 68.868 0.132 0.000 0.962 123 T HN 0.642 nan 8.240 nan 0.000 0.438 124 T N 0.710 115.265 114.554 0.002 0.000 2.924 124 T HA 0.694 5.045 4.350 0.001 0.000 0.291 124 T C -3.037 171.608 174.700 -0.092 0.000 1.045 124 T CA -2.636 59.436 62.100 -0.048 0.000 1.015 124 T CB 1.070 69.838 68.868 -0.166 0.000 1.103 124 T HN 0.127 nan 8.240 nan 0.000 0.496 125 P HA 0.163 nan 4.420 nan 0.000 0.263 125 P C 0.894 178.031 177.300 -0.272 0.000 1.195 125 P CA -0.095 62.880 63.100 -0.209 0.000 0.762 125 P CB 0.503 31.960 31.700 -0.405 0.000 0.799 126 E N 3.066 123.212 120.200 -0.089 0.000 2.085 126 E HA -0.186 4.165 4.350 0.001 0.000 0.194 126 E C 1.862 178.447 176.600 -0.025 0.000 0.994 126 E CA 1.504 57.879 56.400 -0.041 0.000 0.801 126 E CB -0.475 29.247 29.700 0.038 0.000 0.743 126 E HN 0.722 nan 8.360 nan 0.000 0.453 127 W N 0.789 122.089 121.300 0.001 0.000 2.363 127 W HA 0.038 4.699 4.660 0.001 0.000 0.296 127 W C 1.785 178.311 176.519 0.013 0.000 1.212 127 W CA 0.999 58.344 57.345 -0.001 0.000 1.260 127 W CB -0.854 28.601 29.460 -0.009 0.000 1.131 127 W HN -0.018 nan 8.180 nan 0.000 0.530 128 A N 1.593 123.854 122.820 -0.932 0.000 2.121 128 A HA -0.122 4.199 4.320 0.001 0.000 0.218 128 A C 2.052 179.447 177.584 -0.315 0.000 1.154 128 A CA 1.354 52.875 52.037 -0.861 0.000 0.679 128 A CB -0.638 17.715 19.000 -1.079 0.000 0.795 128 A HN 0.374 nan 8.150 nan 0.000 0.458 129 K N -0.038 120.228 120.400 -0.224 0.000 2.362 129 K HA -0.096 4.225 4.320 0.001 0.000 0.200 129 K C 0.520 177.079 176.600 -0.069 0.000 1.046 129 K CA 1.350 57.556 56.287 -0.134 0.000 0.952 129 K CB 0.044 32.478 32.500 -0.110 0.000 0.753 129 K HN 0.851 nan 8.250 nan 0.000 0.466 130 E N -0.385 119.811 120.200 -0.007 0.000 3.428 130 E HA 0.289 4.639 4.350 0.001 0.000 0.191 130 E C -0.744 175.939 176.600 0.138 0.000 0.980 130 E CA -0.450 55.980 56.400 0.049 0.000 1.305 130 E CB 0.809 30.563 29.700 0.090 0.000 1.105 130 E HN 0.021 nan 8.360 nan 0.000 0.455 131 A N 0.580 123.459 122.820 0.099 0.000 2.264 131 A HA 0.632 4.953 4.320 0.001 0.000 0.304 131 A C -0.273 177.334 177.584 0.040 0.000 1.100 131 A CA -0.573 51.562 52.037 0.162 0.000 0.839 131 A CB 1.463 20.613 19.000 0.251 0.000 1.121 131 A HN 0.149 nan 8.150 nan 0.000 0.496 132 V N 2.454 122.404 119.914 0.060 0.000 2.409 132 V HA 0.314 4.435 4.120 0.001 0.000 0.290 132 V C -0.492 175.592 176.094 -0.017 0.000 1.017 132 V CA -0.040 62.250 62.300 -0.017 0.000 0.841 132 V CB 1.011 32.844 31.823 0.017 0.000 1.003 132 V HN 0.709 nan 8.190 nan 0.000 0.426 133 I N 4.532 125.018 120.570 -0.139 0.000 2.437 133 I HA 0.435 4.606 4.170 0.001 0.000 0.298 133 I C -0.978 175.124 176.117 -0.025 0.000 0.984 133 I CA -0.790 60.410 61.300 -0.166 0.000 1.214 133 I CB 1.545 39.199 38.000 -0.576 0.000 1.365 133 I HN 0.563 nan 8.210 nan 0.000 0.469 134 Y N 5.142 125.382 120.300 -0.099 0.000 2.328 134 Y HA 0.266 4.817 4.550 0.001 0.000 0.336 134 Y C -0.050 175.817 175.900 -0.055 0.000 0.960 134 Y CA -0.548 57.525 58.100 -0.045 0.000 1.134 134 Y CB 1.304 39.732 38.460 -0.054 0.000 1.166 134 Y HN 0.503 nan 8.280 nan 0.000 0.464 135 Q N 6.566 126.291 119.800 -0.126 0.000 2.295 135 Q HA 0.344 4.685 4.340 0.001 0.000 0.259 135 Q C -1.293 174.594 176.000 -0.189 0.000 0.976 135 Q CA -0.441 55.361 55.803 -0.003 0.000 0.923 135 Q CB 0.531 29.471 28.738 0.337 0.000 1.185 135 Q HN 0.608 nan 8.270 nan 0.000 0.410 136 I N 5.414 125.741 120.570 -0.406 0.000 2.321 136 I HA 0.176 4.347 4.170 0.001 0.000 0.291 136 I C -0.621 175.300 176.117 -0.328 0.000 0.998 136 I CA -0.494 60.497 61.300 -0.514 0.000 1.227 136 I CB 0.702 38.081 38.000 -1.036 0.000 1.368 136 I HN 0.702 nan 8.210 nan 0.000 0.466 137 F N 10.222 129.968 119.950 -0.340 0.000 2.351 137 F HA 0.364 4.891 4.527 0.001 0.000 0.362 137 F C -1.203 174.481 175.800 -0.193 0.000 1.131 137 F CA -1.800 56.085 58.000 -0.191 0.000 1.187 137 F CB 0.791 39.816 39.000 0.041 0.000 1.434 137 F HN 0.345 nan 8.300 nan 0.000 0.553 138 P HA -0.315 nan 4.420 nan 0.000 0.219 138 P C 1.318 178.605 177.300 -0.021 0.000 1.161 138 P CA 1.593 64.519 63.100 -0.290 0.000 0.909 138 P CB 0.242 31.449 31.700 -0.822 0.000 0.793 139 E N -0.469 119.727 120.200 -0.007 0.000 2.209 139 E HA -0.174 4.177 4.350 0.001 0.000 0.196 139 E C 1.444 178.299 176.600 0.425 0.000 0.993 139 E CA 1.053 57.696 56.400 0.405 0.000 0.819 139 E CB -0.075 29.862 29.700 0.394 0.000 0.745 139 E HN 0.126 nan 8.360 nan 0.000 0.477 140 R N -1.721 118.983 120.500 0.339 0.000 2.543 140 R HA 0.190 4.530 4.340 0.001 0.000 0.323 140 R C 1.151 177.559 176.300 0.180 0.000 1.002 140 R CA -0.205 56.020 56.100 0.209 0.000 1.106 140 R CB -0.148 30.279 30.300 0.212 0.000 1.280 140 R HN 0.087 nan 8.270 nan 0.000 0.549 141 F N -0.077 119.950 119.950 0.128 0.000 2.164 141 F HA 0.440 4.968 4.527 0.001 0.000 0.287 141 F C 0.196 176.387 175.800 0.652 0.000 1.086 141 F CA 0.505 58.608 58.000 0.171 0.000 1.249 141 F CB 0.464 39.485 39.000 0.036 0.000 1.059 141 F HN -0.058 nan 8.300 nan 0.000 0.490 142 A N 0.531 123.608 122.820 0.429 0.000 2.513 142 A HA 0.372 4.693 4.320 0.001 0.000 0.296 142 A C -1.666 175.888 177.584 -0.050 0.000 1.052 142 A CA -0.653 51.386 52.037 0.004 0.000 0.714 142 A CB 0.486 19.353 19.000 -0.221 0.000 1.279 142 A HN 0.200 nan 8.150 nan 0.000 0.397 143 N N 1.910 120.371 118.700 -0.398 0.000 2.767 143 N HA 0.341 5.081 4.740 0.001 0.000 0.238 143 N C 1.067 176.465 175.510 -0.187 0.000 1.083 143 N CA 0.443 53.396 53.050 -0.162 0.000 0.964 143 N CB 0.975 39.376 38.487 -0.143 0.000 1.252 143 N HN 0.751 nan 8.380 nan 0.000 0.512 144 G N 1.051 109.790 108.800 -0.100 0.000 2.551 144 G HA2 -0.103 3.858 3.960 0.001 0.000 0.216 144 G HA3 -0.103 3.858 3.960 0.001 0.000 0.216 144 G C 0.123 174.982 174.900 -0.068 0.000 1.137 144 G CA 0.116 45.150 45.100 -0.110 0.000 0.798 144 G HN 0.522 nan 8.290 nan 0.000 0.536 145 D N -0.608 119.775 120.400 -0.028 0.000 2.420 145 D HA 0.358 4.999 4.640 0.001 0.000 0.255 145 D C -1.914 174.380 176.300 -0.011 0.000 1.185 145 D CA -2.152 51.839 54.000 -0.016 0.000 0.904 145 D CB 1.987 42.790 40.800 0.005 0.000 1.102 145 D HN -0.088 nan 8.370 nan 0.000 0.534 146 P HA -0.112 nan 4.420 nan 0.000 0.220 146 P C 1.340 178.631 177.300 -0.016 0.000 1.148 146 P CA 0.881 63.974 63.100 -0.011 0.000 0.803 146 P CB 0.208 31.898 31.700 -0.017 0.000 0.782 147 S N -0.038 115.651 115.700 -0.019 0.000 2.507 147 S HA -0.124 4.346 4.470 0.001 0.000 0.235 147 S C 1.386 175.967 174.600 -0.033 0.000 0.988 147 S CA 1.150 59.336 58.200 -0.022 0.000 0.944 147 S CB -1.315 61.874 63.200 -0.018 0.000 0.762 147 S HN 0.219 nan 8.310 nan 0.000 0.526 148 N N 0.343 119.022 118.700 -0.036 0.000 2.214 148 N HA 0.176 4.917 4.740 0.001 0.000 0.214 148 N C -1.205 174.240 175.510 -0.109 0.000 1.132 148 N CA -0.437 52.577 53.050 -0.060 0.000 0.856 148 N CB -0.351 38.113 38.487 -0.038 0.000 1.020 148 N HN 0.100 nan 8.380 nan 0.000 0.509 149 D N 1.882 122.225 120.400 -0.094 0.000 2.414 149 D HA 0.191 4.832 4.640 0.001 0.000 0.242 149 D C -2.093 174.057 176.300 -0.248 0.000 1.129 149 D CA -0.851 53.063 54.000 -0.142 0.000 0.885 149 D CB 0.530 41.292 40.800 -0.063 0.000 1.198 149 D HN 0.212 nan 8.370 nan 0.000 0.437 150 P HA 0.211 nan 4.420 nan 0.000 0.272 150 P C -2.511 174.589 177.300 -0.333 0.000 1.223 150 P CA -1.031 61.704 63.100 -0.609 0.000 0.784 150 P CB 0.043 30.796 31.700 -1.578 0.000 0.923 151 P HA 0.104 nan 4.420 nan 0.000 0.267 151 P C 0.730 178.035 177.300 0.008 0.000 1.200 151 P CA 0.989 64.052 63.100 -0.061 0.000 0.772 151 P CB 0.155 31.841 31.700 -0.022 0.000 0.855 152 G N 1.107 109.922 108.800 0.026 0.000 2.147 152 G HA2 -0.223 3.738 3.960 0.001 0.000 0.244 152 G HA3 -0.223 3.738 3.960 0.001 0.000 0.244 152 G C 0.268 175.207 174.900 0.065 0.000 1.005 152 G CA -0.049 45.087 45.100 0.060 0.000 0.713 152 G HN 0.590 nan 8.290 nan 0.000 0.515 153 T N 1.055 115.628 114.554 0.033 0.000 2.928 153 T HA 0.385 4.736 4.350 0.001 0.000 0.305 153 T C 0.655 175.352 174.700 -0.004 0.000 1.035 153 T CA 0.474 62.590 62.100 0.026 0.000 1.145 153 T CB 1.098 69.985 68.868 0.031 0.000 0.963 153 T HN 0.485 nan 8.240 nan 0.000 0.545 154 E N 1.848 121.973 120.200 -0.124 0.000 2.280 154 E HA 0.199 4.550 4.350 0.001 0.000 0.264 154 E C 0.070 176.742 176.600 0.120 0.000 1.064 154 E CA -1.006 55.346 56.400 -0.079 0.000 0.900 154 E CB 0.614 30.173 29.700 -0.234 0.000 1.123 154 E HN 0.462 nan 8.360 nan 0.000 0.418 155 Q N 0.926 120.839 119.800 0.188 0.000 2.349 155 Q HA -0.065 4.276 4.340 0.001 0.000 0.287 155 Q C -0.610 175.642 176.000 0.421 0.000 1.044 155 Q CA 0.474 56.440 55.803 0.272 0.000 0.918 155 Q CB 0.462 29.312 28.738 0.186 0.000 1.242 155 Q HN 0.537 nan 8.270 nan 0.000 0.405 156 W N 2.421 123.852 121.300 0.218 0.000 2.318 156 W HA 0.494 5.155 4.660 0.001 0.000 0.362 156 W C -1.183 175.380 176.519 0.074 0.000 0.978 156 W CA -0.472 56.972 57.345 0.165 0.000 1.509 156 W CB 0.214 29.760 29.460 0.144 0.000 1.437 156 W HN 0.545 nan 8.180 nan 0.000 0.361 157 A N 4.478 127.371 122.820 0.121 0.000 2.556 157 A HA 0.316 4.637 4.320 0.001 0.000 0.294 157 A C 0.821 178.387 177.584 -0.031 0.000 1.091 157 A CA -0.661 51.436 52.037 0.099 0.000 0.704 157 A CB 1.857 20.915 19.000 0.097 0.000 1.300 157 A HN 0.555 nan 8.150 nan 0.000 0.406 158 K N 0.089 120.484 120.400 -0.008 0.000 2.097 158 K HA -0.203 4.118 4.320 0.001 0.000 0.206 158 K C 0.866 177.427 176.600 -0.065 0.000 1.049 158 K CA 2.373 58.626 56.287 -0.057 0.000 0.933 158 K CB -0.158 32.321 32.500 -0.034 0.000 0.717 158 K HN 0.834 nan 8.250 nan 0.000 0.442 159 D N -0.069 120.312 120.400 -0.031 0.000 2.363 159 D HA 0.012 4.652 4.640 0.001 0.000 0.226 159 D C 0.081 176.368 176.300 -0.022 0.000 1.020 159 D CA 0.105 54.091 54.000 -0.023 0.000 0.892 159 D CB 0.100 40.899 40.800 -0.001 0.000 0.900 159 D HN 0.209 nan 8.370 nan 0.000 0.531 160 A N 0.894 123.689 122.820 -0.042 0.000 2.440 160 A HA 0.410 4.731 4.320 0.001 0.000 0.251 160 A C 0.268 177.828 177.584 -0.039 0.000 1.089 160 A CA -0.470 51.557 52.037 -0.017 0.000 0.779 160 A CB 0.380 19.345 19.000 -0.057 0.000 1.022 160 A HN 0.095 nan 8.150 nan 0.000 0.492 161 R N 2.759 123.272 120.500 0.023 0.000 2.415 161 R HA 0.313 4.654 4.340 0.001 0.000 0.292 161 R C -2.957 173.378 176.300 0.057 0.000 1.295 161 R CA -1.718 54.386 56.100 0.006 0.000 1.137 161 R CB 0.651 30.948 30.300 -0.005 0.000 1.135 161 R HN 0.501 nan 8.270 nan 0.000 0.560 162 P HA -0.006 nan 4.420 nan 0.000 0.263 162 P C -0.160 177.163 177.300 0.038 0.000 1.175 162 P CA 0.404 63.597 63.100 0.155 0.000 0.761 162 P CB 0.677 32.467 31.700 0.150 0.000 0.794 163 R N 1.654 122.177 120.500 0.038 0.000 2.720 163 R HA 0.273 4.614 4.340 0.001 0.000 0.272 163 R C 1.482 177.780 176.300 -0.003 0.000 0.991 163 R CA -0.830 55.260 56.100 -0.017 0.000 1.010 163 R CB 0.668 30.978 30.300 0.016 0.000 1.141 163 R HN 0.578 nan 8.270 nan 0.000 0.494 164 H N 1.405 120.494 119.070 0.032 0.000 2.431 164 H HA -0.165 4.392 4.556 0.001 0.000 0.297 164 H C 0.685 176.019 175.328 0.009 0.000 1.115 164 H CA 1.942 58.009 56.048 0.031 0.000 1.277 164 H CB 0.226 29.994 29.762 0.009 0.000 1.372 164 H HN 0.611 nan 8.280 nan 0.000 0.516 165 D N -0.465 119.991 120.400 0.093 0.000 2.462 165 D HA 0.046 4.687 4.640 0.001 0.000 0.221 165 D C 0.120 176.399 176.300 -0.034 0.000 1.173 165 D CA -0.157 53.855 54.000 0.021 0.000 0.831 165 D CB -0.006 40.782 40.800 -0.020 0.000 1.001 165 D HN -0.100 nan 8.370 nan 0.000 0.499 166 S N 0.012 115.677 115.700 -0.059 0.000 2.593 166 S HA 0.453 4.924 4.470 0.001 0.000 0.269 166 S C -0.347 174.071 174.600 -0.303 0.000 1.334 166 S CA -0.128 57.973 58.200 -0.165 0.000 1.015 166 S CB 0.632 63.779 63.200 -0.089 0.000 0.912 166 S HN 0.226 nan 8.310 nan 0.000 0.541 167 F N 0.290 120.071 119.950 -0.282 0.000 2.569 167 F HA 0.381 4.909 4.527 0.001 0.000 0.312 167 F C -0.429 175.112 175.800 -0.431 0.000 1.109 167 F CA -0.669 57.198 58.000 -0.221 0.000 0.919 167 F CB 1.664 40.553 39.000 -0.185 0.000 1.211 167 F HN 0.601 nan 8.300 nan 0.000 0.446 168 Y N 0.355 120.852 120.300 0.328 0.000 2.499 168 Y HA 0.289 4.839 4.550 0.001 0.000 0.253 168 Y C 1.359 177.505 175.900 0.411 0.000 1.105 168 Y CA 0.163 58.423 58.100 0.266 0.000 1.240 168 Y CB 1.341 39.800 38.460 -0.002 0.000 1.289 168 Y HN 0.781 nan 8.280 nan 0.000 0.534 169 G N 0.562 109.610 108.800 0.413 0.000 2.136 169 G HA2 -0.229 3.732 3.960 0.001 0.000 0.242 169 G HA3 -0.229 3.732 3.960 0.001 0.000 0.242 169 G C 0.719 175.856 174.900 0.395 0.000 0.989 169 G CA -0.090 45.190 45.100 0.300 0.000 0.682 169 G HN 0.695 nan 8.290 nan 0.000 0.522 170 G N 0.225 109.368 108.800 0.572 0.000 2.414 170 G HA2 0.545 4.506 3.960 0.001 0.000 0.236 170 G HA3 0.545 4.506 3.960 0.001 0.000 0.236 170 G C 0.080 175.253 174.900 0.455 0.000 1.293 170 G CA 0.996 46.422 45.100 0.542 0.000 0.869 170 G HN 1.192 nan 8.290 nan 0.000 0.556 171 D N -0.116 120.491 120.400 0.344 0.000 2.677 171 D HA 0.180 4.821 4.640 0.001 0.000 0.298 171 D C 1.110 177.536 176.300 0.210 0.000 1.250 171 D CA -0.913 53.285 54.000 0.329 0.000 0.888 171 D CB 0.335 41.285 40.800 0.250 0.000 1.397 171 D HN 0.177 nan 8.370 nan 0.000 0.461 172 L N -0.899 120.419 121.223 0.160 0.000 2.093 172 L HA -0.042 4.299 4.340 0.001 0.000 0.208 172 L C 2.227 179.153 176.870 0.093 0.000 1.085 172 L CA 1.074 55.975 54.840 0.102 0.000 0.755 172 L CB -0.493 41.608 42.059 0.070 0.000 0.904 172 L HN 0.424 nan 8.230 nan 0.000 0.435 173 K N 0.946 121.392 120.400 0.077 0.000 2.103 173 K HA -0.121 4.199 4.320 0.001 0.000 0.207 173 K C 1.953 178.562 176.600 0.015 0.000 1.048 173 K CA 1.525 57.831 56.287 0.032 0.000 0.930 173 K CB -0.662 31.847 32.500 0.014 0.000 0.716 173 K HN 0.220 nan 8.250 nan 0.000 0.444 174 G N -0.208 108.616 108.800 0.039 0.000 2.418 174 G HA2 -0.191 3.770 3.960 0.001 0.000 0.217 174 G HA3 -0.191 3.770 3.960 0.001 0.000 0.217 174 G C 1.500 176.451 174.900 0.085 0.000 1.158 174 G CA 1.027 46.123 45.100 -0.007 0.000 0.771 174 G HN 0.201 nan 8.290 nan 0.000 0.545 175 V N 1.261 121.322 119.914 0.246 0.000 2.407 175 V HA -0.162 3.959 4.120 0.001 0.000 0.248 175 V C 2.770 178.967 176.094 0.170 0.000 1.055 175 V CA 1.429 63.937 62.300 0.346 0.000 1.049 175 V CB -0.409 31.608 31.823 0.324 0.000 0.662 175 V HN 0.396 nan 8.190 nan 0.000 0.455 176 I N 0.288 120.904 120.570 0.077 0.000 2.142 176 I HA -0.236 3.935 4.170 0.001 0.000 0.240 176 I C 2.286 178.392 176.117 -0.018 0.000 1.078 176 I CA 1.730 63.038 61.300 0.014 0.000 1.343 176 I CB -0.589 37.403 38.000 -0.014 0.000 1.046 176 I HN 0.305 nan 8.210 nan 0.000 0.405 177 D N 0.622 120.987 120.400 -0.059 0.000 2.221 177 D HA -0.135 4.506 4.640 0.001 0.000 0.204 177 D C 1.966 178.169 176.300 -0.161 0.000 0.982 177 D CA 0.954 54.878 54.000 -0.127 0.000 0.857 177 D CB -0.199 40.484 40.800 -0.196 0.000 0.934 177 D HN 0.187 nan 8.370 nan 0.000 0.475 178 R N 0.165 120.590 120.500 -0.125 0.000 2.359 178 R HA 0.216 4.556 4.340 0.001 0.000 0.231 178 R C 2.052 178.420 176.300 0.113 0.000 0.913 178 R CA -0.175 55.857 56.100 -0.114 0.000 1.075 178 R CB -0.207 29.964 30.300 -0.216 0.000 1.087 178 R HN 0.293 nan 8.270 nan 0.000 0.515 179 L N 0.838 122.106 121.223 0.074 0.000 2.127 179 L HA -0.134 4.207 4.340 0.001 0.000 0.211 179 L C -0.689 176.222 176.870 0.069 0.000 1.089 179 L CA 1.567 56.450 54.840 0.070 0.000 0.757 179 L CB -1.275 40.796 42.059 0.020 0.000 0.899 179 L HN 0.047 nan 8.230 nan 0.000 0.434 180 P HA -0.226 nan 4.420 nan 0.000 0.217 180 P C 1.319 178.692 177.300 0.121 0.000 1.150 180 P CA 1.294 64.428 63.100 0.058 0.000 0.832 180 P CB -0.039 31.680 31.700 0.031 0.000 0.787 181 Y N 0.121 120.449 120.300 0.047 0.000 2.163 181 Y HA -0.169 4.381 4.550 0.001 0.000 0.288 181 Y C 1.921 177.921 175.900 0.168 0.000 1.136 181 Y CA 1.376 59.560 58.100 0.141 0.000 1.147 181 Y CB -0.907 37.667 38.460 0.190 0.000 0.987 181 Y HN -0.245 nan 8.280 nan 0.000 0.509 182 L N 0.903 122.217 121.223 0.152 0.000 2.083 182 L HA -0.194 4.147 4.340 0.001 0.000 0.209 182 L C 2.446 179.257 176.870 -0.098 0.000 1.083 182 L CA 2.058 56.855 54.840 -0.072 0.000 0.752 182 L CB -1.582 40.431 42.059 -0.077 0.000 0.899 182 L HN 0.438 nan 8.230 nan 0.000 0.433 183 E N 0.021 120.201 120.200 -0.034 0.000 2.072 183 E HA -0.252 4.099 4.350 0.001 0.000 0.191 183 E C 2.090 178.663 176.600 -0.046 0.000 0.985 183 E CA 1.191 57.568 56.400 -0.038 0.000 0.801 183 E CB 0.085 29.775 29.700 -0.017 0.000 0.750 183 E HN 0.476 nan 8.360 nan 0.000 0.452 184 E N 0.180 120.364 120.200 -0.027 0.000 2.085 184 E HA -0.222 4.129 4.350 0.001 0.000 0.194 184 E C 2.219 178.758 176.600 -0.102 0.000 0.994 184 E CA 0.968 57.360 56.400 -0.014 0.000 0.801 184 E CB -0.075 29.675 29.700 0.085 0.000 0.743 184 E HN 0.239 nan 8.360 nan 0.000 0.453 185 L N -0.144 120.971 121.223 -0.180 0.000 2.083 185 L HA -0.049 4.292 4.340 0.001 0.000 0.209 185 L C 1.587 178.351 176.870 -0.176 0.000 1.083 185 L CA 2.470 57.123 54.840 -0.312 0.000 0.752 185 L CB -0.279 41.602 42.059 -0.298 0.000 0.899 185 L HN 0.369 nan 8.230 nan 0.000 0.433 186 G N -1.581 107.160 108.800 -0.099 0.000 2.168 186 G HA2 -0.181 3.780 3.960 0.001 0.000 0.197 186 G HA3 -0.181 3.780 3.960 0.001 0.000 0.197 186 G C 0.317 175.234 174.900 0.028 0.000 0.997 186 G CA 0.220 45.305 45.100 -0.025 0.000 0.658 186 G HN 0.877 nan 8.290 nan 0.000 0.513 187 V N -0.280 119.629 119.914 -0.008 0.000 2.872 187 V HA 0.647 4.768 4.120 0.001 0.000 0.307 187 V C 1.316 177.421 176.094 0.019 0.000 1.072 187 V CA 1.400 63.717 62.300 0.028 0.000 1.148 187 V CB 1.158 32.982 31.823 0.001 0.000 0.954 187 V HN 0.975 nan 8.190 nan 0.000 0.490 188 T N -0.182 114.403 114.554 0.052 0.000 3.054 188 T HA 0.714 5.064 4.350 0.001 0.000 0.255 188 T C 0.381 175.085 174.700 0.006 0.000 1.035 188 T CA 0.384 62.499 62.100 0.026 0.000 0.941 188 T CB 0.161 69.079 68.868 0.084 0.000 1.026 188 T HN 1.826 nan 8.240 nan 0.000 0.533 189 A N 0.985 123.824 122.820 0.032 0.000 2.594 189 A HA 0.694 5.015 4.320 0.001 0.000 0.296 189 A C -1.707 175.901 177.584 0.040 0.000 1.061 189 A CA -0.965 51.094 52.037 0.037 0.000 0.689 189 A CB 0.978 20.059 19.000 0.134 0.000 1.280 189 A HN 0.328 nan 8.150 nan 0.000 0.406 190 L N 1.775 123.022 121.223 0.041 0.000 2.329 190 L HA 0.560 4.900 4.340 0.001 0.000 0.279 190 L C -0.976 175.916 176.870 0.036 0.000 1.014 190 L CA -0.812 54.001 54.840 -0.044 0.000 0.814 190 L CB 1.760 43.711 42.059 -0.181 0.000 1.257 190 L HN 0.805 nan 8.230 nan 0.000 0.424 191 Y N 3.417 123.622 120.300 -0.158 0.000 2.328 191 Y HA 0.566 5.117 4.550 0.001 0.000 0.336 191 Y C -1.429 174.366 175.900 -0.174 0.000 0.960 191 Y CA -1.367 56.736 58.100 0.006 0.000 1.134 191 Y CB 0.952 39.508 38.460 0.159 0.000 1.166 191 Y HN 0.269 nan 8.280 nan 0.000 0.464 192 F N 3.845 123.531 119.950 -0.441 0.000 2.450 192 F HA 0.481 5.009 4.527 0.001 0.000 0.332 192 F C 0.920 176.263 175.800 -0.761 0.000 1.093 192 F CA -0.555 57.091 58.000 -0.590 0.000 1.003 192 F CB 1.740 40.518 39.000 -0.370 0.000 1.151 192 F HN 0.587 nan 8.300 nan 0.000 0.474 193 T N 0.210 114.458 114.554 -0.509 0.000 2.729 193 T HA 0.308 4.659 4.350 0.001 0.000 0.298 193 T C -2.630 171.827 174.700 -0.404 0.000 1.013 193 T CA -1.904 59.962 62.100 -0.392 0.000 0.957 193 T CB 0.144 68.820 68.868 -0.320 0.000 1.130 193 T HN 0.179 nan 8.240 nan 0.000 0.526 194 P HA 0.127 nan 4.420 nan 0.000 0.263 194 P C 0.334 177.352 177.300 -0.469 0.000 1.175 194 P CA 0.225 62.978 63.100 -0.578 0.000 0.761 194 P CB 0.008 31.294 31.700 -0.689 0.000 0.794 195 I N -1.565 118.667 120.570 -0.563 0.000 4.442 195 I HA 0.307 4.478 4.170 0.001 0.000 0.331 195 I C -0.081 176.033 176.117 -0.004 0.000 1.364 195 I CA -0.283 60.840 61.300 -0.295 0.000 1.207 195 I CB -0.014 37.684 38.000 -0.503 0.000 1.298 195 I HN 0.036 nan 8.210 nan 0.000 0.463 196 F N 2.853 122.726 119.950 -0.128 0.000 2.406 196 F HA 0.590 5.118 4.527 0.001 0.000 0.327 196 F C 1.478 177.275 175.800 -0.005 0.000 1.153 196 F CA -1.043 56.915 58.000 -0.070 0.000 1.218 196 F CB 0.826 39.763 39.000 -0.105 0.000 1.215 196 F HN 0.030 nan 8.300 nan 0.000 0.570 197 A N 2.443 125.406 122.820 0.238 0.000 2.573 197 A HA 0.272 4.593 4.320 0.001 0.000 0.250 197 A C 0.123 177.767 177.584 0.100 0.000 1.049 197 A CA 0.493 52.612 52.037 0.135 0.000 0.767 197 A CB -0.178 18.896 19.000 0.124 0.000 0.965 197 A HN 0.611 nan 8.150 nan 0.000 0.514 198 S N 3.043 118.783 115.700 0.066 0.000 2.537 198 S HA 0.689 5.160 4.470 0.001 0.000 0.270 198 S C -2.267 172.359 174.600 0.043 0.000 1.142 198 S CA -0.614 57.621 58.200 0.058 0.000 0.870 198 S CB 1.805 65.034 63.200 0.047 0.000 1.112 198 S HN 0.460 nan 8.310 nan 0.000 0.466 199 P HA 0.070 nan 4.420 nan 0.000 0.231 199 P C 0.638 177.987 177.300 0.082 0.000 1.168 199 P CA 0.325 63.465 63.100 0.066 0.000 0.779 199 P CB -0.079 31.668 31.700 0.079 0.000 0.844 200 S N -0.881 114.829 115.700 0.017 0.000 2.686 200 S HA 0.162 4.633 4.470 0.001 0.000 0.270 200 S C 1.200 175.859 174.600 0.098 0.000 1.194 200 S CA -0.418 57.754 58.200 -0.047 0.000 0.990 200 S CB -0.136 62.773 63.200 -0.484 0.000 1.029 200 S HN 0.160 nan 8.310 nan 0.000 0.560 201 H N -0.129 118.872 119.070 -0.116 0.000 2.482 201 H HA -0.005 4.552 4.556 0.001 0.000 0.286 201 H C 1.934 177.341 175.328 0.131 0.000 1.017 201 H CA 1.504 57.584 56.048 0.054 0.000 1.322 201 H CB -0.035 29.676 29.762 -0.085 0.000 1.426 201 H HN 0.942 nan 8.280 nan 0.000 0.546 202 H N -0.464 118.832 119.070 0.377 0.000 2.465 202 H HA 0.128 4.685 4.556 0.001 0.000 0.289 202 H C 0.790 176.272 175.328 0.258 0.000 1.022 202 H CA 0.342 56.635 56.048 0.408 0.000 1.340 202 H CB 0.312 30.378 29.762 0.507 0.000 1.437 202 H HN -0.108 nan 8.280 nan 0.000 0.539 203 K N -1.200 119.287 120.400 0.145 0.000 3.467 203 K HA -0.236 4.085 4.320 0.001 0.000 0.309 203 K C -0.016 176.635 176.600 0.085 0.000 1.350 203 K CA 1.130 57.468 56.287 0.085 0.000 0.934 203 K CB -2.737 29.780 32.500 0.030 0.000 1.312 203 K HN 0.504 nan 8.250 nan 0.000 0.461 204 Y N 1.767 122.348 120.300 0.469 0.000 2.546 204 Y HA -0.029 4.522 4.550 0.001 0.000 0.287 204 Y C 0.891 176.935 175.900 0.241 0.000 1.158 204 Y CA 0.823 59.074 58.100 0.252 0.000 1.307 204 Y CB 0.286 38.811 38.460 0.108 0.000 1.036 204 Y HN 0.135 nan 8.280 nan 0.000 0.532 205 D N -0.349 120.282 120.400 0.385 0.000 2.514 205 D HA 0.080 4.720 4.640 0.001 0.000 0.267 205 D C -0.405 175.980 176.300 0.141 0.000 1.165 205 D CA -0.337 53.830 54.000 0.278 0.000 0.958 205 D CB 0.026 41.004 40.800 0.296 0.000 0.992 205 D HN -0.118 nan 8.370 nan 0.000 0.506 206 T N 0.847 115.424 114.554 0.038 0.000 2.871 206 T HA 0.303 4.653 4.350 0.001 0.000 0.296 206 T C 1.308 176.008 174.700 -0.001 0.000 0.998 206 T CA 0.083 62.108 62.100 -0.125 0.000 1.162 206 T CB 1.459 69.941 68.868 -0.644 0.000 0.947 206 T HN 0.508 nan 8.240 nan 0.000 0.536 207 A N 2.769 125.637 122.820 0.081 0.000 1.942 207 A HA 0.243 4.564 4.320 0.001 0.000 0.209 207 A C 0.886 178.663 177.584 0.323 0.000 1.214 207 A CA 0.215 52.383 52.037 0.217 0.000 0.686 207 A CB 0.327 19.426 19.000 0.165 0.000 0.871 207 A HN 0.687 nan 8.150 nan 0.000 0.460 208 D N -1.804 118.726 120.400 0.218 0.000 2.476 208 D HA 0.397 5.037 4.640 0.001 0.000 0.251 208 D C -0.504 175.914 176.300 0.196 0.000 1.291 208 D CA -0.570 53.603 54.000 0.289 0.000 0.939 208 D CB 0.476 41.397 40.800 0.202 0.000 1.221 208 D HN 0.171 nan 8.370 nan 0.000 0.567 209 Y N 1.995 122.483 120.300 0.314 0.000 2.574 209 Y HA 0.065 4.616 4.550 0.001 0.000 0.294 209 Y C 1.760 177.603 175.900 -0.094 0.000 1.142 209 Y CA 0.742 58.924 58.100 0.136 0.000 1.314 209 Y CB 0.172 38.833 38.460 0.336 0.000 0.991 209 Y HN 0.416 nan 8.280 nan 0.000 0.555 210 L N -0.786 120.469 121.223 0.054 0.000 2.700 210 L HA 0.423 4.764 4.340 0.001 0.000 0.234 210 L C 0.479 177.274 176.870 -0.126 0.000 1.156 210 L CA -0.275 54.371 54.840 -0.323 0.000 0.946 210 L CB -0.150 41.544 42.059 -0.608 0.000 1.216 210 L HN 0.026 nan 8.230 nan 0.000 0.493 211 A N 0.176 123.072 122.820 0.128 0.000 2.515 211 A HA 0.648 4.969 4.320 0.001 0.000 0.298 211 A C -0.609 177.166 177.584 0.317 0.000 1.059 211 A CA -0.524 51.645 52.037 0.220 0.000 0.698 211 A CB 1.717 20.792 19.000 0.125 0.000 1.289 211 A HN -0.082 nan 8.150 nan 0.000 0.404 212 I N 1.967 122.741 120.570 0.340 0.000 2.575 212 I HA 0.088 4.259 4.170 0.001 0.000 0.285 212 I C 0.588 176.836 176.117 0.220 0.000 1.085 212 I CA 0.033 61.506 61.300 0.289 0.000 1.403 212 I CB 0.844 38.991 38.000 0.245 0.000 1.409 212 I HN 0.722 nan 8.210 nan 0.000 0.557 213 D N 8.103 128.639 120.400 0.226 0.000 2.450 213 D HA 0.024 4.664 4.640 0.001 0.000 0.247 213 D C -1.666 174.649 176.300 0.025 0.000 1.162 213 D CA -1.206 52.852 54.000 0.097 0.000 0.879 213 D CB 1.738 42.548 40.800 0.017 0.000 1.163 213 D HN 0.217 nan 8.370 nan 0.000 0.472 214 P HA -0.224 nan 4.420 nan 0.000 0.218 214 P C 1.251 178.495 177.300 -0.094 0.000 1.150 214 P CA 1.607 64.688 63.100 -0.031 0.000 0.841 214 P CB 0.002 31.678 31.700 -0.040 0.000 0.784 215 Q N -2.216 117.438 119.800 -0.244 0.000 2.369 215 Q HA -0.092 4.248 4.340 0.001 0.000 0.206 215 Q C 1.121 176.975 176.000 -0.243 0.000 0.963 215 Q CA 1.204 56.802 55.803 -0.341 0.000 0.894 215 Q CB -0.613 27.775 28.738 -0.583 0.000 0.965 215 Q HN 0.190 nan 8.270 nan 0.000 0.475 216 F N 0.232 120.173 119.950 -0.016 0.000 2.622 216 F HA 0.464 4.992 4.527 0.001 0.000 0.288 216 F C 1.381 177.194 175.800 0.021 0.000 1.120 216 F CA 0.514 58.514 58.000 0.001 0.000 1.423 216 F CB 0.827 39.814 39.000 -0.022 0.000 1.127 216 F HN 0.291 nan 8.300 nan 0.000 0.588 217 G N -0.377 108.544 108.800 0.200 0.000 2.403 217 G HA2 0.345 4.306 3.960 0.001 0.000 0.223 217 G HA3 0.345 4.306 3.960 0.001 0.000 0.223 217 G C -2.070 172.918 174.900 0.146 0.000 1.287 217 G CA -0.218 44.973 45.100 0.152 0.000 0.982 217 G HN 0.164 nan 8.290 nan 0.000 0.471 218 D N -1.700 118.798 120.400 0.164 0.000 2.677 218 D HA 0.526 5.166 4.640 0.001 0.000 0.298 218 D C 1.191 177.626 176.300 0.226 0.000 1.250 218 D CA -0.807 53.296 54.000 0.171 0.000 0.888 218 D CB 0.109 40.979 40.800 0.117 0.000 1.397 218 D HN 0.386 nan 8.370 nan 0.000 0.461 219 L N -0.387 120.967 121.223 0.219 0.000 2.013 219 L HA -0.039 4.302 4.340 0.001 0.000 0.212 219 L C -0.695 176.296 176.870 0.202 0.000 1.073 219 L CA 2.233 57.219 54.840 0.244 0.000 0.753 219 L CB -2.323 39.836 42.059 0.166 0.000 0.890 219 L HN 0.438 nan 8.230 nan 0.000 0.432 220 P HA -0.097 nan 4.420 nan 0.000 0.215 220 P C 1.703 179.050 177.300 0.078 0.000 1.153 220 P CA 1.401 64.548 63.100 0.079 0.000 0.853 220 P CB 0.006 31.737 31.700 0.053 0.000 0.788 221 T N -1.109 113.507 114.554 0.104 0.000 2.777 221 T HA -0.131 4.219 4.350 0.001 0.000 0.266 221 T C 1.442 176.197 174.700 0.091 0.000 1.040 221 T CA 0.915 63.064 62.100 0.082 0.000 1.141 221 T CB -0.962 67.963 68.868 0.095 0.000 0.868 221 T HN 0.019 nan 8.240 nan 0.000 0.444 222 F N 2.516 122.486 119.950 0.034 0.000 2.134 222 F HA -0.057 4.471 4.527 0.001 0.000 0.299 222 F C 2.391 178.188 175.800 -0.005 0.000 1.097 222 F CA 1.078 59.091 58.000 0.022 0.000 1.264 222 F CB -0.108 38.975 39.000 0.138 0.000 1.001 222 F HN -0.120 nan 8.300 nan 0.000 0.479 223 R N 0.129 120.639 120.500 0.016 0.000 2.091 223 R HA -0.188 4.153 4.340 0.001 0.000 0.238 223 R C 2.318 178.507 176.300 -0.185 0.000 1.136 223 R CA 1.541 57.580 56.100 -0.101 0.000 0.959 223 R CB -0.830 29.464 30.300 -0.011 0.000 0.856 223 R HN 0.211 nan 8.270 nan 0.000 0.437 224 R N 1.340 121.769 120.500 -0.119 0.000 2.081 224 R HA -0.126 4.215 4.340 0.001 0.000 0.235 224 R C 2.227 178.422 176.300 -0.176 0.000 1.131 224 R CA 1.162 57.193 56.100 -0.116 0.000 0.960 224 R CB -0.816 29.447 30.300 -0.062 0.000 0.856 224 R HN 0.174 nan 8.270 nan 0.000 0.436 225 L N -0.163 120.923 121.223 -0.229 0.000 2.046 225 L HA -0.100 4.241 4.340 0.001 0.000 0.208 225 L C 1.951 178.597 176.870 -0.372 0.000 1.077 225 L CA 1.667 56.351 54.840 -0.261 0.000 0.747 225 L CB -0.614 41.273 42.059 -0.287 0.000 0.896 225 L HN 0.082 nan 8.230 nan 0.000 0.432 226 V N 0.142 119.716 119.914 -0.567 0.000 2.287 226 V HA -0.300 3.821 4.120 0.001 0.000 0.248 226 V C 2.353 178.064 176.094 -0.638 0.000 1.053 226 V CA 2.068 63.958 62.300 -0.684 0.000 1.027 226 V CB -0.898 30.515 31.823 -0.684 0.000 0.646 226 V HN 0.465 nan 8.190 nan 0.000 0.447 227 D N -0.426 119.752 120.400 -0.371 0.000 2.117 227 D HA -0.131 4.510 4.640 0.001 0.000 0.197 227 D C 2.299 178.517 176.300 -0.137 0.000 0.987 227 D CA 1.018 54.895 54.000 -0.204 0.000 0.829 227 D CB -0.204 40.523 40.800 -0.121 0.000 0.961 227 D HN 0.390 nan 8.370 nan 0.000 0.460 228 E N 0.663 120.778 120.200 -0.141 0.000 2.106 228 E HA -0.071 4.280 4.350 0.001 0.000 0.192 228 E C 2.044 178.599 176.600 -0.076 0.000 0.984 228 E CA 0.672 57.019 56.400 -0.089 0.000 0.806 228 E CB -0.209 29.443 29.700 -0.079 0.000 0.750 228 E HN 0.209 nan 8.360 nan 0.000 0.458 229 A N 0.687 123.436 122.820 -0.118 0.000 1.873 229 A HA -0.176 4.145 4.320 0.001 0.000 0.215 229 A C 1.926 179.512 177.584 0.003 0.000 1.186 229 A CA 1.467 53.461 52.037 -0.072 0.000 0.616 229 A CB -0.913 18.023 19.000 -0.105 0.000 0.823 229 A HN 0.345 nan 8.150 nan 0.000 0.442 230 H N -0.043 118.960 119.070 -0.112 0.000 2.319 230 H HA -0.168 4.389 4.556 0.001 0.000 0.299 230 H C 2.328 177.595 175.328 -0.101 0.000 1.092 230 H CA 1.423 57.398 56.048 -0.121 0.000 1.302 230 H CB -0.035 29.654 29.762 -0.122 0.000 1.373 230 H HN 0.617 nan 8.280 nan 0.000 0.497 231 R N 1.141 121.670 120.500 0.047 0.000 2.285 231 R HA -0.030 4.311 4.340 0.001 0.000 0.213 231 R C 1.305 177.593 176.300 -0.021 0.000 1.068 231 R CA 0.975 57.074 56.100 -0.002 0.000 1.004 231 R CB -0.078 30.215 30.300 -0.012 0.000 0.873 231 R HN 0.242 nan 8.270 nan 0.000 0.467 232 R N 0.595 121.083 120.500 -0.019 0.000 2.466 232 R HA 0.144 4.485 4.340 0.001 0.000 0.279 232 R C 0.250 176.524 176.300 -0.044 0.000 0.976 232 R CA 0.368 56.450 56.100 -0.031 0.000 1.081 232 R CB 0.931 31.216 30.300 -0.026 0.000 1.215 232 R HN 0.492 nan 8.270 nan 0.000 0.546 233 G N 1.831 110.600 108.800 -0.052 0.000 2.221 233 G HA2 -0.273 3.688 3.960 0.001 0.000 0.265 233 G HA3 -0.273 3.688 3.960 0.001 0.000 0.265 233 G C 0.015 174.863 174.900 -0.085 0.000 1.041 233 G CA 0.100 45.148 45.100 -0.086 0.000 0.807 233 G HN 0.300 nan 8.290 nan 0.000 0.502 234 I N -0.009 120.533 120.570 -0.047 0.000 2.389 234 I HA 0.350 4.520 4.170 0.001 0.000 0.288 234 I C 0.531 176.649 176.117 0.003 0.000 0.999 234 I CA -0.830 60.447 61.300 -0.040 0.000 1.129 234 I CB 1.570 39.553 38.000 -0.029 0.000 1.288 234 I HN -0.042 nan 8.210 nan 0.000 0.444 235 K N 5.577 125.925 120.400 -0.087 0.000 2.090 235 K HA 0.579 4.900 4.320 0.001 0.000 0.250 235 K C -0.732 175.877 176.600 0.015 0.000 1.004 235 K CA -0.709 55.520 56.287 -0.095 0.000 0.919 235 K CB 1.419 33.625 32.500 -0.490 0.000 1.045 235 K HN 0.356 nan 8.250 nan 0.000 0.471 236 I N 3.119 123.726 120.570 0.062 0.000 2.389 236 I HA 0.292 4.462 4.170 0.001 0.000 0.288 236 I C -0.586 175.631 176.117 0.167 0.000 0.999 236 I CA -0.648 60.727 61.300 0.125 0.000 1.129 236 I CB 1.227 39.242 38.000 0.025 0.000 1.288 236 I HN 0.406 nan 8.210 nan 0.000 0.444 237 I N 6.992 127.726 120.570 0.273 0.000 2.389 237 I HA 0.447 4.618 4.170 0.001 0.000 0.288 237 I C 0.035 176.336 176.117 0.306 0.000 0.999 237 I CA -0.536 60.937 61.300 0.289 0.000 1.129 237 I CB 1.771 40.061 38.000 0.483 0.000 1.288 237 I HN 0.292 nan 8.210 nan 0.000 0.444 238 L N 4.435 125.703 121.223 0.075 0.000 2.344 238 L HA 0.457 4.798 4.340 0.001 0.000 0.272 238 L C 0.203 177.162 176.870 0.149 0.000 1.035 238 L CA -0.747 54.095 54.840 0.003 0.000 0.807 238 L CB 1.729 43.614 42.059 -0.289 0.000 1.237 238 L HN 0.477 nan 8.230 nan 0.000 0.442 239 D N 1.685 122.110 120.400 0.042 0.000 2.280 239 D HA 0.398 5.038 4.640 0.001 0.000 0.243 239 D C -0.744 175.520 176.300 -0.060 0.000 1.129 239 D CA -0.133 53.909 54.000 0.071 0.000 0.848 239 D CB 1.830 42.641 40.800 0.019 0.000 1.107 239 D HN 0.554 nan 8.370 nan 0.000 0.471 240 A N 3.996 126.785 122.820 -0.052 0.000 2.258 240 A HA 0.425 4.746 4.320 0.001 0.000 0.316 240 A C -0.303 177.018 177.584 -0.439 0.000 1.279 240 A CA -0.674 51.135 52.037 -0.380 0.000 0.876 240 A CB 0.882 19.278 19.000 -1.007 0.000 1.170 240 A HN 0.379 nan 8.150 nan 0.000 0.520 241 V N 4.437 124.244 119.914 -0.179 0.000 2.218 241 V HA 0.165 4.285 4.120 0.001 0.000 0.261 241 V C -0.056 176.131 176.094 0.154 0.000 1.142 241 V CA 0.052 62.302 62.300 -0.083 0.000 0.965 241 V CB -0.805 30.978 31.823 -0.067 0.000 1.190 241 V HN 0.848 nan 8.190 nan 0.000 0.478 242 F N 1.640 121.553 119.950 -0.063 0.000 2.746 242 F HA 0.149 4.676 4.527 0.001 0.000 0.297 242 F C 1.977 177.614 175.800 -0.272 0.000 1.113 242 F CA -0.149 57.744 58.000 -0.178 0.000 1.367 242 F CB -0.710 38.139 39.000 -0.252 0.000 1.111 242 F HN 0.463 nan 8.300 nan 0.000 0.590 243 N N 0.209 118.886 118.700 -0.039 0.000 2.216 243 N HA -0.127 4.614 4.740 0.001 0.000 0.183 243 N C -0.004 175.558 175.510 0.087 0.000 1.017 243 N CA 1.082 54.131 53.050 -0.003 0.000 0.861 243 N CB -0.036 38.532 38.487 0.135 0.000 0.986 243 N HN 0.429 nan 8.380 nan 0.000 0.428 244 H N -3.254 115.899 119.070 0.139 0.000 3.016 244 H HA 0.793 5.350 4.556 0.001 0.000 0.362 244 H C -1.232 174.197 175.328 0.168 0.000 1.233 244 H CA -0.905 55.238 56.048 0.158 0.000 1.124 244 H CB 1.178 31.053 29.762 0.188 0.000 1.850 244 H HN 0.036 nan 8.280 nan 0.000 0.549 245 A N 0.975 123.954 122.820 0.264 0.000 2.312 245 A HA 0.833 5.154 4.320 0.001 0.000 0.310 245 A C 0.407 178.103 177.584 0.186 0.000 1.139 245 A CA -0.554 51.581 52.037 0.163 0.000 0.886 245 A CB 0.720 19.682 19.000 -0.064 0.000 1.350 245 A HN 1.076 nan 8.150 nan 0.000 0.479 246 G N -0.763 108.126 108.800 0.149 0.000 2.477 246 G HA2 0.418 4.379 3.960 0.001 0.000 0.304 246 G HA3 0.418 4.379 3.960 0.001 0.000 0.304 246 G C 0.193 175.155 174.900 0.103 0.000 1.175 246 G CA 0.344 45.530 45.100 0.143 0.000 0.907 246 G HN 0.760 nan 8.290 nan 0.000 0.509 247 D N -0.317 120.114 120.400 0.052 0.000 2.378 247 D HA -0.099 4.542 4.640 0.001 0.000 0.227 247 D C 1.050 177.525 176.300 0.291 0.000 1.012 247 D CA 0.520 54.577 54.000 0.095 0.000 0.905 247 D CB 0.318 41.213 40.800 0.159 0.000 0.895 247 D HN 0.349 nan 8.370 nan 0.000 0.532 248 Q N -0.387 119.558 119.800 0.243 0.000 2.282 248 Q HA 0.073 4.414 4.340 0.001 0.000 0.206 248 Q C 0.144 176.317 176.000 0.289 0.000 0.878 248 Q CA -0.534 55.404 55.803 0.225 0.000 0.944 248 Q CB 0.093 28.937 28.738 0.176 0.000 1.100 248 Q HN 0.263 nan 8.270 nan 0.000 0.509 249 F N 2.720 122.769 119.950 0.166 0.000 2.608 249 F HA -0.114 4.414 4.527 0.001 0.000 0.380 249 F C 1.245 177.086 175.800 0.069 0.000 1.083 249 F CA -1.046 57.060 58.000 0.177 0.000 1.266 249 F CB 0.254 39.386 39.000 0.221 0.000 1.076 249 F HN 0.072 nan 8.300 nan 0.000 0.574 250 F N 4.609 124.358 119.950 -0.335 0.000 2.087 250 F HA -0.216 4.312 4.527 0.001 0.000 0.299 250 F C 1.832 177.243 175.800 -0.648 0.000 1.100 250 F CA 1.679 59.410 58.000 -0.449 0.000 1.226 250 F CB -1.464 37.264 39.000 -0.454 0.000 0.983 250 F HN 0.419 nan 8.300 nan 0.000 0.479 251 A N 0.178 121.565 122.820 -2.389 0.000 1.908 251 A HA -0.149 4.172 4.320 0.001 0.000 0.218 251 A C 2.177 179.467 177.584 -0.489 0.000 1.181 251 A CA 1.681 52.642 52.037 -1.793 0.000 0.627 251 A CB -1.558 16.347 19.000 -1.825 0.000 0.818 251 A HN 0.546 nan 8.150 nan 0.000 0.445 252 F N 0.522 120.294 119.950 -0.296 0.000 2.163 252 F HA -0.055 4.473 4.527 0.001 0.000 0.297 252 F C 2.438 178.064 175.800 -0.290 0.000 1.094 252 F CA 1.408 59.181 58.000 -0.379 0.000 1.290 252 F CB -0.204 38.580 39.000 -0.361 0.000 1.017 252 F HN 0.111 nan 8.300 nan 0.000 0.483 253 R N -0.150 120.258 120.500 -0.153 0.000 2.096 253 R HA -0.206 4.135 4.340 0.001 0.000 0.235 253 R C 1.841 178.010 176.300 -0.219 0.000 1.127 253 R CA 1.758 57.761 56.100 -0.161 0.000 0.968 253 R CB -0.847 29.427 30.300 -0.044 0.000 0.861 253 R HN 0.318 nan 8.270 nan 0.000 0.440 254 D N 0.213 120.476 120.400 -0.228 0.000 2.117 254 D HA -0.122 4.519 4.640 0.001 0.000 0.197 254 D C 1.753 177.948 176.300 -0.174 0.000 0.987 254 D CA 0.893 54.797 54.000 -0.159 0.000 0.829 254 D CB 0.226 40.953 40.800 -0.123 0.000 0.961 254 D HN -0.066 nan 8.370 nan 0.000 0.460 255 V N 0.352 120.109 119.914 -0.262 0.000 2.515 255 V HA -0.173 3.947 4.120 0.001 0.000 0.250 255 V C 2.463 178.374 176.094 -0.306 0.000 1.058 255 V CA 1.049 63.194 62.300 -0.259 0.000 1.064 255 V CB -0.392 31.229 31.823 -0.336 0.000 0.675 255 V HN 0.335 nan 8.190 nan 0.000 0.461 256 L N -0.427 120.529 121.223 -0.444 0.000 2.201 256 L HA -0.174 4.167 4.340 0.001 0.000 0.212 256 L C 2.521 179.291 176.870 -0.167 0.000 1.105 256 L CA 1.338 55.982 54.840 -0.326 0.000 0.775 256 L CB -0.283 41.574 42.059 -0.338 0.000 0.913 256 L HN 0.363 nan 8.230 nan 0.000 0.440 257 Q N 0.234 119.942 119.800 -0.154 0.000 2.250 257 Q HA -0.072 4.269 4.340 0.001 0.000 0.200 257 Q C 1.609 177.551 176.000 -0.097 0.000 0.941 257 Q CA 1.347 57.090 55.803 -0.100 0.000 0.872 257 Q CB 0.341 29.029 28.738 -0.083 0.000 0.965 257 Q HN 0.271 nan 8.270 nan 0.000 0.480 258 K N -1.032 119.297 120.400 -0.119 0.000 2.374 258 K HA 0.329 4.650 4.320 0.001 0.000 0.202 258 K C 0.794 177.273 176.600 -0.201 0.000 1.040 258 K CA 0.266 56.475 56.287 -0.131 0.000 1.085 258 K CB 0.920 33.351 32.500 -0.114 0.000 0.873 258 K HN 0.286 nan 8.250 nan 0.000 0.539 259 G N 3.294 111.968 108.800 -0.210 0.000 2.634 259 G HA2 -0.423 3.538 3.960 0.001 0.000 0.309 259 G HA3 -0.423 3.538 3.960 0.001 0.000 0.309 259 G C 0.695 175.101 174.900 -0.824 0.000 1.265 259 G CA 0.736 45.600 45.100 -0.394 0.000 0.998 259 G HN 0.498 nan 8.290 nan 0.000 0.551 260 E N 0.589 119.956 120.200 -1.388 0.000 2.510 260 E HA -0.061 4.290 4.350 0.001 0.000 0.202 260 E C 1.728 178.065 176.600 -0.439 0.000 1.072 260 E CA 1.175 56.921 56.400 -1.090 0.000 0.883 260 E CB -0.036 29.143 29.700 -0.868 0.000 0.818 260 E HN 0.495 nan 8.360 nan 0.000 0.548 261 Q N 0.745 120.339 119.800 -0.342 0.000 2.360 261 Q HA 0.152 4.493 4.340 0.001 0.000 0.202 261 Q C 0.211 176.113 176.000 -0.162 0.000 0.915 261 Q CA 0.136 55.818 55.803 -0.202 0.000 0.943 261 Q CB 0.746 29.387 28.738 -0.162 0.000 1.064 261 Q HN 0.103 nan 8.270 nan 0.000 0.511 262 S N 1.096 116.696 115.700 -0.167 0.000 2.564 262 S HA 0.138 4.608 4.470 0.001 0.000 0.278 262 S C 1.107 175.618 174.600 -0.147 0.000 1.333 262 S CA -0.327 57.808 58.200 -0.107 0.000 1.048 262 S CB 1.292 64.463 63.200 -0.048 0.000 0.900 262 S HN 0.118 nan 8.310 nan 0.000 0.505 263 R N 1.205 121.548 120.500 -0.262 0.000 2.323 263 R HA 0.049 4.390 4.340 0.001 0.000 0.198 263 R C -0.162 175.723 176.300 -0.691 0.000 0.988 263 R CA 0.884 56.703 56.100 -0.467 0.000 1.041 263 R CB -0.290 29.637 30.300 -0.623 0.000 0.926 263 R HN 0.761 nan 8.270 nan 0.000 0.476 264 Y N -0.393 119.730 120.300 -0.294 0.000 2.557 264 Y HA 0.133 4.684 4.550 0.001 0.000 0.247 264 Y C 1.688 177.569 175.900 -0.032 0.000 1.164 264 Y CA -0.329 57.477 58.100 -0.490 0.000 1.218 264 Y CB 0.312 38.291 38.460 -0.802 0.000 1.210 264 Y HN -0.017 nan 8.280 nan 0.000 0.529 265 K N -0.243 120.260 120.400 0.171 0.000 2.160 265 K HA -0.195 4.126 4.320 0.001 0.000 0.206 265 K C 0.259 177.067 176.600 0.347 0.000 1.047 265 K CA 2.094 58.570 56.287 0.315 0.000 0.930 265 K CB -0.167 32.505 32.500 0.286 0.000 0.720 265 K HN 0.140 nan 8.250 nan 0.000 0.450 266 D N -0.411 120.141 120.400 0.253 0.000 2.328 266 D HA -0.024 4.617 4.640 0.001 0.000 0.226 266 D C 0.399 176.805 176.300 0.176 0.000 1.066 266 D CA 0.311 54.419 54.000 0.180 0.000 0.861 266 D CB -0.055 40.815 40.800 0.117 0.000 0.912 266 D HN 0.372 nan 8.370 nan 0.000 0.521 267 W N -0.047 121.167 121.300 -0.144 0.000 3.256 267 W HA 0.202 4.863 4.660 0.001 0.000 0.269 267 W C 0.223 176.257 176.519 -0.807 0.000 1.310 267 W CA -0.239 56.822 57.345 -0.474 0.000 1.673 267 W CB -0.174 28.947 29.460 -0.566 0.000 1.115 267 W HN -0.191 nan 8.180 nan 0.000 0.686 268 F N -2.011 118.046 119.950 0.179 0.000 2.764 268 F HA 0.488 5.016 4.527 0.001 0.000 0.347 268 F C -0.761 175.019 175.800 -0.034 0.000 1.151 268 F CA -1.680 56.417 58.000 0.161 0.000 1.021 268 F CB 0.526 39.713 39.000 0.311 0.000 1.438 268 F HN -0.542 nan 8.300 nan 0.000 0.516 269 F N 2.233 122.416 119.950 0.390 0.000 2.359 269 F HA 0.525 5.052 4.527 0.001 0.000 0.370 269 F C -0.503 175.439 175.800 0.236 0.000 1.077 269 F CA -0.372 57.772 58.000 0.241 0.000 1.136 269 F CB 0.631 39.740 39.000 0.182 0.000 1.387 269 F HN -0.002 nan 8.300 nan 0.000 0.468 270 I N 2.823 123.558 120.570 0.275 0.000 2.412 270 I HA 0.241 4.412 4.170 0.001 0.000 0.296 270 I C 1.032 177.150 176.117 0.002 0.000 0.987 270 I CA -0.415 60.953 61.300 0.113 0.000 1.180 270 I CB 1.962 39.897 38.000 -0.107 0.000 1.340 270 I HN 0.598 nan 8.210 nan 0.000 0.455 271 E N 3.865 124.054 120.200 -0.018 0.000 2.102 271 E HA 0.010 4.361 4.350 0.001 0.000 0.190 271 E C -0.735 175.800 176.600 -0.108 0.000 0.971 271 E CA 0.399 56.781 56.400 -0.029 0.000 0.821 271 E CB 0.141 29.841 29.700 0.000 0.000 0.777 271 E HN 0.776 nan 8.360 nan 0.000 0.460 272 D N -0.825 119.448 120.400 -0.212 0.000 2.706 272 D HA 0.300 4.941 4.640 0.001 0.000 0.225 272 D C -1.273 174.840 176.300 -0.312 0.000 1.241 272 D CA -0.669 53.201 54.000 -0.216 0.000 0.784 272 D CB 0.222 40.996 40.800 -0.043 0.000 1.521 272 D HN -0.037 nan 8.370 nan 0.000 0.461 273 F N 0.488 120.466 119.950 0.047 0.000 2.377 273 F HA 0.555 5.082 4.527 0.001 0.000 0.328 273 F C -1.280 174.535 175.800 0.025 0.000 1.094 273 F CA -1.421 56.598 58.000 0.031 0.000 1.093 273 F CB 0.359 39.365 39.000 0.010 0.000 1.214 273 F HN 0.193 nan 8.300 nan 0.000 0.518 274 P HA 0.148 nan 4.420 nan 0.000 0.272 274 P C -0.872 176.519 177.300 0.151 0.000 1.230 274 P CA -0.276 62.951 63.100 0.212 0.000 0.788 274 P CB 1.154 32.924 31.700 0.116 0.000 0.949 275 V N 1.176 121.183 119.914 0.154 0.000 2.218 275 V HA 0.420 4.541 4.120 0.001 0.000 0.261 275 V C 0.544 176.757 176.094 0.199 0.000 1.142 275 V CA 0.358 62.736 62.300 0.130 0.000 0.965 275 V CB -0.687 31.148 31.823 0.020 0.000 1.190 275 V HN 0.898 nan 8.190 nan 0.000 0.478 276 S N 3.503 119.332 115.700 0.216 0.000 2.701 276 S HA 0.670 5.141 4.470 0.001 0.000 0.267 276 S C -1.453 173.222 174.600 0.125 0.000 1.034 276 S CA -0.627 57.716 58.200 0.238 0.000 0.867 276 S CB 1.729 65.038 63.200 0.181 0.000 1.123 276 S HN 0.731 nan 8.310 nan 0.000 0.470 277 K N -0.020 120.445 120.400 0.108 0.000 3.245 277 K HA 0.194 4.515 4.320 0.001 0.000 0.350 277 K C -1.769 174.859 176.600 0.046 0.000 1.129 277 K CA -0.405 55.916 56.287 0.056 0.000 0.883 277 K CB 0.507 33.022 32.500 0.024 0.000 1.411 277 K HN 0.635 nan 8.250 nan 0.000 0.412 278 T N 2.328 116.901 114.554 0.032 0.000 2.727 278 T HA 0.212 4.563 4.350 0.001 0.000 0.295 278 T C 0.333 175.035 174.700 0.003 0.000 0.915 278 T CA 0.888 63.002 62.100 0.025 0.000 1.066 278 T CB 0.494 69.376 68.868 0.023 0.000 0.891 278 T HN 0.663 nan 8.240 nan 0.000 0.516 279 S N 1.199 116.895 115.700 -0.006 0.000 2.929 279 S HA -0.174 4.297 4.470 0.001 0.000 0.271 279 S C 0.445 175.016 174.600 -0.049 0.000 1.295 279 S CA 1.344 59.528 58.200 -0.026 0.000 1.277 279 S CB -0.664 62.524 63.200 -0.020 0.000 1.557 279 S HN 0.785 nan 8.310 nan 0.000 0.666 280 R N 1.400 121.869 120.500 -0.052 0.000 2.725 280 R HA 0.706 5.047 4.340 0.001 0.000 0.277 280 R C -1.120 175.115 176.300 -0.109 0.000 0.987 280 R CA 0.506 56.563 56.100 -0.072 0.000 0.901 280 R CB 1.738 32.014 30.300 -0.042 0.000 1.207 280 R HN 0.258 nan 8.270 nan 0.000 0.463 281 T N 0.791 115.239 114.554 -0.176 0.000 3.159 281 T HA 0.251 4.602 4.350 0.001 0.000 0.343 281 T C -0.469 174.073 174.700 -0.263 0.000 1.364 281 T CA -1.046 60.868 62.100 -0.310 0.000 1.102 281 T CB 0.951 69.355 68.868 -0.774 0.000 1.263 281 T HN 0.648 nan 8.240 nan 0.000 0.477 282 N N 1.018 119.648 118.700 -0.117 0.000 2.346 282 N HA 0.139 4.880 4.740 0.001 0.000 0.225 282 N C -0.317 175.248 175.510 0.092 0.000 1.144 282 N CA -0.447 52.594 53.050 -0.015 0.000 0.837 282 N CB -0.457 38.038 38.487 0.013 0.000 1.069 282 N HN 0.877 nan 8.380 nan 0.000 0.487 283 Y N -2.642 117.687 120.300 0.048 0.000 2.534 283 Y HA 0.528 5.078 4.550 0.001 0.000 0.345 283 Y C -0.352 175.610 175.900 0.102 0.000 1.031 283 Y CA -1.542 56.622 58.100 0.106 0.000 1.022 283 Y CB 0.768 39.335 38.460 0.178 0.000 1.292 283 Y HN -0.137 nan 8.280 nan 0.000 0.459 284 E N 1.726 122.106 120.200 0.301 0.000 2.360 284 E HA 0.402 4.753 4.350 0.001 0.000 0.269 284 E C -0.446 176.280 176.600 0.210 0.000 1.022 284 E CA 0.139 56.623 56.400 0.140 0.000 0.887 284 E CB 0.872 30.594 29.700 0.036 0.000 0.990 284 E HN 0.867 nan 8.360 nan 0.000 0.426 285 T N 0.826 115.418 114.554 0.064 0.000 2.831 285 T HA 0.346 4.696 4.350 0.001 0.000 0.287 285 T C -0.321 174.394 174.700 0.025 0.000 1.070 285 T CA -0.910 61.246 62.100 0.095 0.000 1.010 285 T CB 0.515 69.402 68.868 0.033 0.000 1.264 285 T HN 0.408 nan 8.240 nan 0.000 0.532 286 F N 2.198 122.061 119.950 -0.144 0.000 2.563 286 F HA 0.421 4.949 4.527 0.001 0.000 0.363 286 F C 1.107 176.813 175.800 -0.156 0.000 1.123 286 F CA 0.778 58.633 58.000 -0.242 0.000 1.307 286 F CB -0.385 38.210 39.000 -0.675 0.000 1.115 286 F HN 1.345 nan 8.300 nan 0.000 0.592 287 A N 2.703 124.884 122.820 -1.065 0.000 5.483 287 A HA -0.241 4.079 4.320 0.001 0.000 0.309 287 A C -0.566 176.778 177.584 -0.400 0.000 1.898 287 A CA 0.947 52.477 52.037 -0.845 0.000 0.716 287 A CB -2.084 16.268 19.000 -1.080 0.000 1.309 287 A HN 1.378 nan 8.150 nan 0.000 0.380 288 V N 0.470 120.200 119.914 -0.307 0.000 2.444 288 V HA 0.594 4.715 4.120 0.001 0.000 0.294 288 V C -0.040 175.964 176.094 -0.150 0.000 1.022 288 V CA 0.327 62.512 62.300 -0.193 0.000 0.850 288 V CB 1.344 33.073 31.823 -0.156 0.000 0.992 288 V HN 1.060 nan 8.190 nan 0.000 0.426 289 Q N 1.946 121.662 119.800 -0.139 0.000 2.463 289 Q HA -0.149 4.192 4.340 0.001 0.000 0.299 289 Q C -0.297 175.648 176.000 -0.091 0.000 1.353 289 Q CA 0.416 56.143 55.803 -0.127 0.000 0.828 289 Q CB -1.148 27.528 28.738 -0.104 0.000 1.157 289 Q HN 0.649 nan 8.270 nan 0.000 0.436 290 V N 0.703 120.575 119.914 -0.070 0.000 2.240 290 V HA 0.097 4.218 4.120 0.001 0.000 0.265 290 V C -1.311 174.806 176.094 0.037 0.000 1.073 290 V CA -1.071 61.232 62.300 0.005 0.000 0.857 290 V CB 1.231 33.096 31.823 0.069 0.000 1.114 290 V HN 0.067 nan 8.190 nan 0.000 0.469 291 P HA -0.207 nan 4.420 nan 0.000 0.216 291 P C 1.441 178.874 177.300 0.221 0.000 1.154 291 P CA 1.735 64.916 63.100 0.135 0.000 0.865 291 P CB 0.311 32.081 31.700 0.115 0.000 0.789 292 A N -2.052 120.858 122.820 0.151 0.000 2.235 292 A HA 0.087 4.408 4.320 0.001 0.000 0.208 292 A C 1.185 178.835 177.584 0.110 0.000 1.172 292 A CA 0.693 52.812 52.037 0.136 0.000 0.786 292 A CB -0.889 18.203 19.000 0.154 0.000 0.804 292 A HN 0.152 nan 8.150 nan 0.000 0.479 293 M N 1.449 121.113 119.600 0.107 0.000 2.693 293 M HA 0.214 4.695 4.480 0.001 0.000 0.224 293 M C -2.901 173.470 176.300 0.118 0.000 1.149 293 M CA -1.612 53.751 55.300 0.105 0.000 0.622 293 M CB 1.707 34.330 32.600 0.038 0.000 1.443 293 M HN -0.038 nan 8.290 nan 0.000 0.431 294 P HA 0.029 nan 4.420 nan 0.000 0.267 294 P C -0.694 176.796 177.300 0.315 0.000 1.209 294 P CA 0.160 63.295 63.100 0.058 0.000 0.763 294 P CB 0.708 31.922 31.700 -0.810 0.000 0.816 295 K N 4.132 124.770 120.400 0.397 0.000 2.436 295 K HA 0.138 4.459 4.320 0.001 0.000 0.275 295 K C -0.317 176.579 176.600 0.493 0.000 0.999 295 K CA -0.310 56.225 56.287 0.414 0.000 0.980 295 K CB 0.116 32.786 32.500 0.284 0.000 0.919 295 K HN 0.467 nan 8.250 nan 0.000 0.484 296 L N 4.185 125.587 121.223 0.299 0.000 2.334 296 L HA 0.323 4.664 4.340 0.001 0.000 0.277 296 L C 0.782 177.709 176.870 0.094 0.000 1.075 296 L CA -0.470 54.411 54.840 0.069 0.000 0.804 296 L CB 1.177 43.171 42.059 -0.109 0.000 1.174 296 L HN 0.611 nan 8.230 nan 0.000 0.438 297 R N 1.161 121.585 120.500 -0.128 0.000 3.266 297 R HA 0.052 4.393 4.340 0.001 0.000 0.224 297 R C 1.057 177.199 176.300 -0.264 0.000 1.525 297 R CA 0.020 55.995 56.100 -0.209 0.000 1.364 297 R CB 0.160 30.134 30.300 -0.545 0.000 1.276 297 R HN 0.841 nan 8.270 nan 0.000 0.660 298 T N -1.062 113.349 114.554 -0.238 0.000 3.025 298 T HA -0.107 4.243 4.350 0.001 0.000 0.270 298 T C 1.012 175.581 174.700 -0.218 0.000 1.126 298 T CA 1.042 62.922 62.100 -0.366 0.000 1.105 298 T CB 0.026 68.469 68.868 -0.709 0.000 0.884 298 T HN 0.576 nan 8.240 nan 0.000 0.522 299 E N 1.114 121.226 120.200 -0.147 0.000 2.347 299 E HA 0.037 4.388 4.350 0.001 0.000 0.196 299 E C 0.753 177.270 176.600 -0.139 0.000 1.008 299 E CA -0.131 56.213 56.400 -0.092 0.000 0.852 299 E CB -0.005 29.676 29.700 -0.032 0.000 0.783 299 E HN 0.429 nan 8.360 nan 0.000 0.505 300 N N 1.291 119.859 118.700 -0.221 0.000 2.470 300 N HA 0.001 4.742 4.740 0.001 0.000 0.268 300 N C -2.011 173.329 175.510 -0.283 0.000 1.136 300 N CA -1.704 51.195 53.050 -0.252 0.000 0.961 300 N CB 1.250 39.527 38.487 -0.350 0.000 1.067 300 N HN -0.218 nan 8.380 nan 0.000 0.468 301 P HA -0.129 nan 4.420 nan 0.000 0.217 301 P C 0.538 177.687 177.300 -0.251 0.000 1.148 301 P CA 1.435 64.415 63.100 -0.198 0.000 0.828 301 P CB 0.378 32.009 31.700 -0.115 0.000 0.783 302 E N -0.781 119.255 120.200 -0.274 0.000 2.072 302 E HA -0.086 4.265 4.350 0.001 0.000 0.190 302 E C 2.011 178.203 176.600 -0.681 0.000 0.982 302 E CA 0.940 57.166 56.400 -0.290 0.000 0.803 302 E CB -0.632 29.035 29.700 -0.055 0.000 0.755 302 E HN 0.061 nan 8.360 nan 0.000 0.453 303 V N 2.017 121.312 119.914 -1.031 0.000 2.261 303 V HA -0.288 3.833 4.120 0.001 0.000 0.246 303 V C 2.467 178.222 176.094 -0.565 0.000 1.047 303 V CA 2.008 63.659 62.300 -1.083 0.000 1.015 303 V CB -0.478 30.817 31.823 -0.881 0.000 0.642 303 V HN 0.212 nan 8.190 nan 0.000 0.446 304 K N 0.109 120.225 120.400 -0.473 0.000 2.009 304 K HA -0.296 4.024 4.320 0.001 0.000 0.210 304 K C 2.212 178.359 176.600 -0.755 0.000 1.049 304 K CA 2.184 58.152 56.287 -0.531 0.000 0.929 304 K CB -0.209 31.946 32.500 -0.575 0.000 0.714 304 K HN 0.379 nan 8.250 nan 0.000 0.440 305 E N 0.009 119.914 120.200 -0.492 0.000 2.085 305 E HA -0.230 4.120 4.350 0.001 0.000 0.194 305 E C 1.808 178.343 176.600 -0.108 0.000 0.994 305 E CA 1.509 57.750 56.400 -0.266 0.000 0.801 305 E CB -0.492 29.141 29.700 -0.111 0.000 0.743 305 E HN 0.490 nan 8.360 nan 0.000 0.453 306 Y N 0.421 120.598 120.300 -0.204 0.000 2.145 306 Y HA -0.136 4.415 4.550 0.001 0.000 0.286 306 Y C 1.953 177.793 175.900 -0.099 0.000 1.145 306 Y CA 1.871 59.937 58.100 -0.057 0.000 1.148 306 Y CB -0.206 38.257 38.460 0.006 0.000 0.981 306 Y HN 0.046 nan 8.280 nan 0.000 0.507 307 L N -1.088 120.047 121.223 -0.147 0.000 2.141 307 L HA -0.217 4.124 4.340 0.001 0.000 0.209 307 L C 2.367 179.156 176.870 -0.135 0.000 1.094 307 L CA 1.228 55.838 54.840 -0.383 0.000 0.763 307 L CB -0.701 40.985 42.059 -0.622 0.000 0.908 307 L HN 0.290 nan 8.230 nan 0.000 0.437 308 F N 0.279 120.091 119.950 -0.229 0.000 2.186 308 F HA -0.231 4.297 4.527 0.001 0.000 0.299 308 F C 2.303 178.072 175.800 -0.050 0.000 1.090 308 F CA 0.363 58.296 58.000 -0.112 0.000 1.307 308 F CB -0.096 38.827 39.000 -0.127 0.000 1.019 308 F HN 0.178 nan 8.300 nan 0.000 0.489 309 D N 0.153 120.601 120.400 0.080 0.000 2.144 309 D HA -0.131 4.510 4.640 0.001 0.000 0.199 309 D C 2.323 178.640 176.300 0.028 0.000 0.984 309 D CA 0.878 54.885 54.000 0.011 0.000 0.834 309 D CB -0.402 40.334 40.800 -0.107 0.000 0.955 309 D HN 0.052 nan 8.370 nan 0.000 0.465 310 V N 1.334 121.220 119.914 -0.046 0.000 2.295 310 V HA -0.236 3.884 4.120 0.001 0.000 0.246 310 V C 2.539 178.950 176.094 0.527 0.000 1.049 310 V CA 1.804 64.195 62.300 0.150 0.000 1.024 310 V CB -0.821 31.081 31.823 0.131 0.000 0.648 310 V HN 0.181 nan 8.190 nan 0.000 0.447 311 A N -0.032 123.073 122.820 0.475 0.000 1.902 311 A HA -0.235 4.086 4.320 0.001 0.000 0.217 311 A C 2.381 180.337 177.584 0.620 0.000 1.181 311 A CA 1.886 54.310 52.037 0.645 0.000 0.623 311 A CB -0.495 18.746 19.000 0.403 0.000 0.818 311 A HN 0.520 nan 8.150 nan 0.000 0.443 312 R N -1.952 118.757 120.500 0.348 0.000 2.073 312 R HA -0.129 4.212 4.340 0.001 0.000 0.234 312 R C 2.053 178.499 176.300 0.243 0.000 1.134 312 R CA 1.608 57.853 56.100 0.242 0.000 0.952 312 R CB -0.620 29.765 30.300 0.143 0.000 0.850 312 R HN 0.592 nan 8.270 nan 0.000 0.433 313 F N 0.202 120.185 119.950 0.056 0.000 2.091 313 F HA -0.266 4.262 4.527 0.001 0.000 0.299 313 F C 1.646 177.334 175.800 -0.187 0.000 1.103 313 F CA 1.631 59.542 58.000 -0.148 0.000 1.228 313 F CB -0.235 38.560 39.000 -0.341 0.000 0.984 313 F HN 0.029 nan 8.300 nan 0.000 0.477 314 W N -0.177 121.371 121.300 0.414 0.000 2.436 314 W HA -0.064 4.597 4.660 0.001 0.000 0.284 314 W C 2.393 179.016 176.519 0.173 0.000 1.225 314 W CA 0.808 58.325 57.345 0.286 0.000 1.271 314 W CB -0.414 29.338 29.460 0.487 0.000 1.114 314 W HN -0.028 nan 8.180 nan 0.000 0.559 315 M N -0.120 119.730 119.600 0.416 0.000 2.319 315 M HA -0.140 4.341 4.480 0.001 0.000 0.265 315 M C 1.542 177.916 176.300 0.124 0.000 1.068 315 M CA 1.475 56.932 55.300 0.262 0.000 1.118 315 M CB -0.393 32.389 32.600 0.304 0.000 1.395 315 M HN 0.044 nan 8.290 nan 0.000 0.435 316 E N 0.053 120.275 120.200 0.038 0.000 2.268 316 E HA -0.155 4.196 4.350 0.001 0.000 0.195 316 E C 1.797 178.347 176.600 -0.084 0.000 0.995 316 E CA 0.616 56.985 56.400 -0.053 0.000 0.836 316 E CB 0.070 29.689 29.700 -0.135 0.000 0.763 316 E HN 0.461 nan 8.360 nan 0.000 0.491 317 Q N -0.672 119.081 119.800 -0.077 0.000 2.472 317 Q HA 0.018 4.359 4.340 0.001 0.000 0.208 317 Q C 1.260 177.300 176.000 0.068 0.000 0.958 317 Q CA 0.915 56.715 55.803 -0.003 0.000 0.932 317 Q CB 0.815 29.655 28.738 0.170 0.000 1.007 317 Q HN 0.420 nan 8.270 nan 0.000 0.508 318 G N 1.619 110.470 108.800 0.086 0.000 2.144 318 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 318 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 318 G C 0.344 175.324 174.900 0.133 0.000 0.988 318 G CA 0.235 45.396 45.100 0.102 0.000 0.659 318 G HN 0.466 nan 8.290 nan 0.000 0.522 319 I N -2.381 118.273 120.570 0.140 0.000 2.938 319 I HA 0.447 4.618 4.170 0.001 0.000 0.285 319 I C 0.535 176.689 176.117 0.062 0.000 1.182 319 I CA 0.006 61.360 61.300 0.090 0.000 1.388 319 I CB 0.582 38.603 38.000 0.034 0.000 1.390 319 I HN -0.060 nan 8.210 nan 0.000 0.600 320 D N 2.987 123.418 120.400 0.053 0.000 2.398 320 D HA 0.323 4.964 4.640 0.001 0.000 0.210 320 D C 0.562 176.974 176.300 0.188 0.000 1.094 320 D CA 0.348 54.394 54.000 0.076 0.000 0.839 320 D CB 1.143 41.903 40.800 -0.066 0.000 0.963 320 D HN 0.897 nan 8.370 nan 0.000 0.506 321 G N 0.262 109.086 108.800 0.039 0.000 2.313 321 G HA2 0.316 4.277 3.960 0.001 0.000 0.296 321 G HA3 0.316 4.277 3.960 0.001 0.000 0.296 321 G C -2.273 172.544 174.900 -0.139 0.000 1.356 321 G CA -1.086 44.072 45.100 0.097 0.000 0.833 321 G HN 0.027 nan 8.290 nan 0.000 0.552 322 W N -0.289 121.138 121.300 0.211 0.000 2.915 322 W HA 0.799 5.460 4.660 0.001 0.000 0.337 322 W C -0.053 176.426 176.519 -0.067 0.000 1.102 322 W CA -0.922 56.503 57.345 0.134 0.000 1.224 322 W CB 2.144 31.738 29.460 0.222 0.000 1.416 322 W HN 0.407 nan 8.180 nan 0.000 0.503 323 R N 3.002 123.591 120.500 0.147 0.000 2.343 323 R HA 0.539 4.880 4.340 0.001 0.000 0.320 323 R C -1.184 175.010 176.300 -0.177 0.000 0.956 323 R CA -0.825 55.161 56.100 -0.189 0.000 0.836 323 R CB 0.758 30.942 30.300 -0.193 0.000 1.151 323 R HN 0.685 nan 8.270 nan 0.000 0.450 324 L N 2.837 123.804 121.223 -0.426 0.000 2.307 324 L HA 0.404 4.745 4.340 0.001 0.000 0.282 324 L C 0.564 177.213 176.870 -0.368 0.000 1.051 324 L CA -0.442 54.117 54.840 -0.468 0.000 0.804 324 L CB 1.332 42.890 42.059 -0.835 0.000 1.197 324 L HN 0.315 nan 8.230 nan 0.000 0.431 325 D N 1.929 122.198 120.400 -0.218 0.000 2.193 325 D HA 0.229 4.870 4.640 0.001 0.000 0.244 325 D C 0.260 176.511 176.300 -0.081 0.000 1.064 325 D CA -0.230 53.706 54.000 -0.106 0.000 0.845 325 D CB 2.162 42.986 40.800 0.039 0.000 1.148 325 D HN 0.370 nan 8.370 nan 0.000 0.464 326 V N 2.868 122.732 119.914 -0.083 0.000 5.325 326 V HA -0.326 3.795 4.120 0.001 0.000 0.291 326 V C 1.635 177.730 176.094 0.001 0.000 0.541 326 V CA 1.040 63.344 62.300 0.007 0.000 0.687 326 V CB -2.199 29.754 31.823 0.216 0.000 0.491 326 V HN 0.745 nan 8.190 nan 0.000 1.145 327 A N 1.378 124.112 122.820 -0.143 0.000 2.019 327 A HA -0.161 4.160 4.320 0.001 0.000 0.219 327 A C 1.872 179.501 177.584 0.074 0.000 1.164 327 A CA 1.722 53.744 52.037 -0.024 0.000 0.644 327 A CB -0.403 18.261 19.000 -0.559 0.000 0.805 327 A HN 1.036 nan 8.150 nan 0.000 0.449 328 N N 0.343 118.915 118.700 -0.212 0.000 2.609 328 N HA -0.106 4.635 4.740 0.001 0.000 0.190 328 N C 0.719 176.357 175.510 0.213 0.000 1.157 328 N CA 1.150 54.131 53.050 -0.115 0.000 0.918 328 N CB -0.428 37.906 38.487 -0.256 0.000 0.978 328 N HN 0.677 nan 8.380 nan 0.000 0.448 329 E N -0.125 120.179 120.200 0.173 0.000 2.498 329 E HA 0.098 4.449 4.350 0.001 0.000 0.203 329 E C -0.193 176.474 176.600 0.112 0.000 1.013 329 E CA -0.243 56.246 56.400 0.149 0.000 0.927 329 E CB 0.981 30.758 29.700 0.128 0.000 1.012 329 E HN 0.234 nan 8.360 nan 0.000 0.482 330 V N 1.224 121.230 119.914 0.153 0.000 2.630 330 V HA 0.198 4.319 4.120 0.001 0.000 0.305 330 V C -0.450 175.626 176.094 -0.030 0.000 1.046 330 V CA -1.047 61.204 62.300 -0.082 0.000 0.934 330 V CB 1.661 33.240 31.823 -0.406 0.000 1.003 330 V HN 0.091 nan 8.190 nan 0.000 0.451 331 D N 3.096 123.417 120.400 -0.131 0.000 2.378 331 D HA 0.000 4.641 4.640 0.001 0.000 0.238 331 D C 0.666 176.983 176.300 0.028 0.000 1.180 331 D CA 0.357 54.339 54.000 -0.030 0.000 0.895 331 D CB 0.668 41.478 40.800 0.017 0.000 1.192 331 D HN 0.777 nan 8.370 nan 0.000 0.438 332 H N 0.724 119.928 119.070 0.224 0.000 2.353 332 H HA -0.034 4.523 4.556 0.001 0.000 0.300 332 H C 2.122 177.587 175.328 0.228 0.000 1.090 332 H CA 2.158 58.361 56.048 0.259 0.000 1.327 332 H CB -0.045 29.759 29.762 0.070 0.000 1.383 332 H HN 0.629 nan 8.280 nan 0.000 0.508 333 A N 0.622 123.597 122.820 0.259 0.000 1.940 333 A HA -0.222 4.098 4.320 0.001 0.000 0.219 333 A C 2.127 179.840 177.584 0.214 0.000 1.176 333 A CA 1.565 53.717 52.037 0.190 0.000 0.631 333 A CB -0.971 18.101 19.000 0.120 0.000 0.814 333 A HN 0.483 nan 8.150 nan 0.000 0.446 334 F N -0.878 119.068 119.950 -0.007 0.000 2.102 334 F HA -0.189 4.339 4.527 0.001 0.000 0.298 334 F C 2.047 177.930 175.800 0.139 0.000 1.105 334 F CA 1.808 59.760 58.000 -0.080 0.000 1.239 334 F CB -0.451 38.266 39.000 -0.472 0.000 0.991 334 F HN 0.425 nan 8.300 nan 0.000 0.474 335 W N 0.427 122.071 121.300 0.574 0.000 2.388 335 W HA -0.079 4.581 4.660 0.001 0.000 0.294 335 W C 2.570 179.306 176.519 0.362 0.000 1.212 335 W CA 0.562 58.226 57.345 0.530 0.000 1.271 335 W CB -0.322 29.448 29.460 0.518 0.000 1.126 335 W HN -0.176 nan 8.180 nan 0.000 0.535 336 R N 0.508 121.282 120.500 0.456 0.000 2.092 336 R HA -0.120 4.220 4.340 0.001 0.000 0.231 336 R C 1.770 178.188 176.300 0.198 0.000 1.119 336 R CA 1.462 57.721 56.100 0.266 0.000 0.970 336 R CB -0.409 29.993 30.300 0.171 0.000 0.864 336 R HN 0.335 nan 8.270 nan 0.000 0.440 337 E N -0.188 120.132 120.200 0.199 0.000 2.158 337 E HA -0.136 4.215 4.350 0.001 0.000 0.191 337 E C 1.575 178.136 176.600 -0.064 0.000 0.982 337 E CA 0.568 57.038 56.400 0.118 0.000 0.823 337 E CB -0.081 29.761 29.700 0.236 0.000 0.766 337 E HN 0.164 nan 8.360 nan 0.000 0.468 338 F N 2.182 122.040 119.950 -0.153 0.000 2.102 338 F HA -0.185 4.343 4.527 0.001 0.000 0.298 338 F C 2.386 178.108 175.800 -0.130 0.000 1.105 338 F CA 1.644 59.430 58.000 -0.357 0.000 1.239 338 F CB -0.067 39.016 39.000 0.138 0.000 0.991 338 F HN -0.209 nan 8.300 nan 0.000 0.474 339 R N 0.316 120.884 120.500 0.114 0.000 2.083 339 R HA -0.217 4.123 4.340 0.001 0.000 0.237 339 R C 2.605 178.858 176.300 -0.077 0.000 1.137 339 R CA 1.807 57.926 56.100 0.033 0.000 0.951 339 R CB -0.486 29.915 30.300 0.168 0.000 0.851 339 R HN 0.290 nan 8.270 nan 0.000 0.434 340 R N 0.670 121.135 120.500 -0.058 0.000 2.096 340 R HA -0.174 4.167 4.340 0.001 0.000 0.240 340 R C 2.436 178.653 176.300 -0.138 0.000 1.139 340 R CA 1.846 57.906 56.100 -0.067 0.000 0.952 340 R CB -0.455 29.822 30.300 -0.038 0.000 0.854 340 R HN 0.388 nan 8.270 nan 0.000 0.436 341 L N 0.346 121.405 121.223 -0.273 0.000 1.961 341 L HA -0.175 4.166 4.340 0.001 0.000 0.210 341 L C 2.213 178.924 176.870 -0.266 0.000 1.072 341 L CA 1.563 56.206 54.840 -0.329 0.000 0.749 341 L CB -0.443 41.238 42.059 -0.631 0.000 0.889 341 L HN 0.102 nan 8.230 nan 0.000 0.432 342 V N 0.575 120.255 119.914 -0.390 0.000 2.250 342 V HA -0.337 3.784 4.120 0.001 0.000 0.250 342 V C 2.705 178.761 176.094 -0.064 0.000 1.060 342 V CA 2.085 64.243 62.300 -0.238 0.000 1.030 342 V CB -0.760 30.846 31.823 -0.362 0.000 0.643 342 V HN 0.470 nan 8.190 nan 0.000 0.445 343 K N 0.621 120.989 120.400 -0.053 0.000 2.211 343 K HA -0.074 4.247 4.320 0.001 0.000 0.203 343 K C 2.418 179.023 176.600 0.007 0.000 1.050 343 K CA 1.544 57.837 56.287 0.010 0.000 0.945 343 K CB -0.657 31.858 32.500 0.025 0.000 0.732 343 K HN 0.707 nan 8.250 nan 0.000 0.451 344 S N 0.729 116.416 115.700 -0.022 0.000 2.387 344 S HA -0.074 4.397 4.470 0.001 0.000 0.226 344 S C 2.003 176.604 174.600 0.002 0.000 1.026 344 S CA 0.597 58.791 58.200 -0.011 0.000 0.972 344 S CB -0.241 62.943 63.200 -0.027 0.000 0.814 344 S HN 0.024 nan 8.310 nan 0.000 0.477 345 L N 1.871 123.093 121.223 -0.001 0.000 2.109 345 L HA 0.321 4.662 4.340 0.001 0.000 0.207 345 L C 1.069 177.965 176.870 0.042 0.000 1.086 345 L CA 1.209 56.062 54.840 0.022 0.000 0.760 345 L CB -1.034 41.044 42.059 0.033 0.000 0.910 345 L HN 0.598 nan 8.230 nan 0.000 0.437 346 N N -1.497 117.236 118.700 0.055 0.000 2.599 346 N HA 0.155 4.895 4.740 0.001 0.000 0.283 346 N C -2.332 173.232 175.510 0.090 0.000 1.160 346 N CA -0.940 52.154 53.050 0.075 0.000 0.869 346 N CB 1.770 40.315 38.487 0.096 0.000 1.448 346 N HN -0.241 nan 8.380 nan 0.000 0.535 347 P HA -0.067 nan 4.420 nan 0.000 0.221 347 P C -0.136 177.242 177.300 0.130 0.000 1.145 347 P CA 1.023 64.177 63.100 0.089 0.000 0.795 347 P CB 0.232 31.975 31.700 0.073 0.000 0.775 348 D N -1.248 119.258 120.400 0.176 0.000 2.363 348 D HA 0.157 4.798 4.640 0.001 0.000 0.214 348 D C 0.546 177.107 176.300 0.434 0.000 1.093 348 D CA 0.023 54.209 54.000 0.310 0.000 0.837 348 D CB 0.282 41.300 40.800 0.362 0.000 0.948 348 D HN 0.084 nan 8.370 nan 0.000 0.507 349 A N 1.121 124.112 122.820 0.285 0.000 2.409 349 A HA 0.327 4.647 4.320 0.001 0.000 0.262 349 A C -0.129 177.631 177.584 0.293 0.000 1.113 349 A CA -0.313 51.907 52.037 0.304 0.000 0.790 349 A CB 0.537 19.677 19.000 0.234 0.000 1.046 349 A HN 0.185 nan 8.150 nan 0.000 0.496 350 L N 3.029 124.459 121.223 0.345 0.000 2.334 350 L HA 0.617 4.958 4.340 0.001 0.000 0.277 350 L C -0.489 176.515 176.870 0.223 0.000 1.075 350 L CA -0.022 54.950 54.840 0.219 0.000 0.804 350 L CB 0.937 43.121 42.059 0.210 0.000 1.174 350 L HN 0.584 nan 8.230 nan 0.000 0.438 351 I N 5.646 126.294 120.570 0.130 0.000 2.420 351 I HA 0.350 4.521 4.170 0.001 0.000 0.282 351 I C -1.063 174.942 176.117 -0.187 0.000 1.019 351 I CA -0.638 60.717 61.300 0.092 0.000 1.130 351 I CB 1.577 39.704 38.000 0.212 0.000 1.262 351 I HN 0.218 nan 8.210 nan 0.000 0.454 352 V N 5.002 124.670 119.914 -0.410 0.000 2.459 352 V HA 0.687 4.808 4.120 0.001 0.000 0.295 352 V C 0.615 176.157 176.094 -0.919 0.000 1.029 352 V CA -0.473 61.391 62.300 -0.726 0.000 0.874 352 V CB 1.689 32.809 31.823 -1.171 0.000 0.985 352 V HN 0.817 nan 8.190 nan 0.000 0.438 353 G N 2.399 110.602 108.800 -0.995 0.000 2.509 353 G HA2 0.655 4.616 3.960 0.001 0.000 0.328 353 G HA3 0.655 4.616 3.960 0.001 0.000 0.328 353 G C -0.904 173.549 174.900 -0.746 0.000 1.194 353 G CA -0.410 44.021 45.100 -1.115 0.000 0.967 353 G HN 0.709 nan 8.290 nan 0.000 0.488 354 E N 0.429 120.193 120.200 -0.726 0.000 2.331 354 E HA 0.368 4.718 4.350 0.001 0.000 0.243 354 E C -0.944 175.090 176.600 -0.943 0.000 0.925 354 E CA -0.556 55.372 56.400 -0.788 0.000 0.760 354 E CB 0.585 29.882 29.700 -0.671 0.000 1.254 354 E HN 0.176 nan 8.360 nan 0.000 0.419 355 I N 4.062 124.110 120.570 -0.870 0.000 2.436 355 I HA 0.202 4.372 4.170 0.001 0.000 0.289 355 I C -0.325 175.446 176.117 -0.577 0.000 1.010 355 I CA -0.683 60.148 61.300 -0.783 0.000 1.098 355 I CB 1.076 38.629 38.000 -0.745 0.000 1.266 355 I HN 0.713 nan 8.210 nan 0.000 0.434 356 W N 6.132 127.278 121.300 -0.257 0.000 3.221 356 W HA 0.215 4.875 4.660 0.001 0.000 0.436 356 W C 0.458 176.833 176.519 -0.240 0.000 0.913 356 W CA -0.419 56.633 57.345 -0.488 0.000 2.004 356 W CB -0.139 29.107 29.460 -0.357 0.000 1.007 356 W HN 0.685 nan 8.180 nan 0.000 0.838 357 H N -4.275 114.908 119.070 0.188 0.000 2.887 357 H HA 0.129 4.685 4.556 0.001 0.000 0.290 357 H C -0.779 174.808 175.328 0.432 0.000 1.429 357 H CA -1.383 54.865 56.048 0.335 0.000 1.137 357 H CB 0.228 30.130 29.762 0.232 0.000 1.824 357 H HN -0.270 nan 8.280 nan 0.000 0.520 358 D N 0.171 120.873 120.400 0.502 0.000 2.570 358 D HA 0.041 4.682 4.640 0.001 0.000 0.243 358 D C 0.461 177.043 176.300 0.469 0.000 1.171 358 D CA 0.952 55.231 54.000 0.465 0.000 0.879 358 D CB 0.552 41.579 40.800 0.378 0.000 1.143 358 D HN 0.717 nan 8.370 nan 0.000 0.511 359 A N 3.183 126.297 122.820 0.490 0.000 2.460 359 A HA 0.054 4.375 4.320 0.001 0.000 0.258 359 A C 1.913 179.686 177.584 0.316 0.000 1.300 359 A CA 0.355 52.629 52.037 0.395 0.000 0.913 359 A CB -0.208 18.814 19.000 0.036 0.000 1.031 359 A HN 0.565 nan 8.150 nan 0.000 0.512 360 S N -0.482 115.478 115.700 0.434 0.000 2.387 360 S HA -0.147 4.323 4.470 0.001 0.000 0.230 360 S C 1.931 176.559 174.600 0.046 0.000 1.035 360 S CA 1.528 59.907 58.200 0.298 0.000 1.014 360 S CB -0.956 62.459 63.200 0.358 0.000 0.836 360 S HN 0.705 nan 8.310 nan 0.000 0.466 361 G N -0.073 108.675 108.800 -0.088 0.000 2.470 361 G HA2 -0.119 3.842 3.960 0.001 0.000 0.220 361 G HA3 -0.119 3.842 3.960 0.001 0.000 0.220 361 G C 1.009 175.575 174.900 -0.558 0.000 1.121 361 G CA 0.529 45.359 45.100 -0.451 0.000 0.766 361 G HN 0.654 nan 8.290 nan 0.000 0.553 362 W N -0.393 120.779 121.300 -0.213 0.000 3.127 362 W HA 0.441 5.101 4.660 0.001 0.000 0.344 362 W C 0.486 176.725 176.519 -0.467 0.000 1.151 362 W CA -0.279 56.765 57.345 -0.502 0.000 1.765 362 W CB 0.276 29.160 29.460 -0.959 0.000 1.085 362 W HN 0.055 nan 8.180 nan 0.000 0.596 363 L N 0.928 122.078 121.223 -0.122 0.000 3.141 363 L HA 0.187 4.527 4.340 0.001 0.000 0.263 363 L C 1.373 178.151 176.870 -0.153 0.000 1.312 363 L CA -0.183 54.592 54.840 -0.108 0.000 1.012 363 L CB 0.020 41.987 42.059 -0.154 0.000 1.408 363 L HN -0.207 nan 8.230 nan 0.000 0.559 364 M N -0.563 118.843 119.600 -0.325 0.000 2.465 364 M HA 0.315 4.796 4.480 0.001 0.000 0.249 364 M C 1.545 177.424 176.300 -0.701 0.000 1.130 364 M CA 0.819 55.929 55.300 -0.317 0.000 1.067 364 M CB 0.179 32.666 32.600 -0.189 0.000 1.394 364 M HN 0.454 nan 8.290 nan 0.000 0.483 365 G N 1.310 109.384 108.800 -1.210 0.000 2.255 365 G HA2 -0.200 3.761 3.960 0.001 0.000 0.196 365 G HA3 -0.200 3.761 3.960 0.001 0.000 0.196 365 G C 0.308 174.885 174.900 -0.539 0.000 0.998 365 G CA 0.360 44.581 45.100 -1.466 0.000 0.656 365 G HN 0.500 nan 8.290 nan 0.000 0.490 366 D N -0.079 120.120 120.400 -0.333 0.000 2.369 366 D HA 0.257 4.897 4.640 0.001 0.000 0.211 366 D C 1.497 177.781 176.300 -0.027 0.000 1.077 366 D CA 0.836 54.760 54.000 -0.127 0.000 0.842 366 D CB 0.134 40.885 40.800 -0.083 0.000 0.947 366 D HN 0.544 nan 8.370 nan 0.000 0.509 367 Q N -0.704 119.059 119.800 -0.063 0.000 1.981 367 Q HA 0.334 4.674 4.340 0.001 0.000 0.157 367 Q C -0.000 176.153 176.000 0.254 0.000 0.503 367 Q CA -0.344 55.509 55.803 0.083 0.000 0.695 367 Q CB 0.642 29.326 28.738 -0.090 0.000 1.038 367 Q HN 0.121 nan 8.270 nan 0.000 0.388 368 F N 1.364 121.330 119.950 0.027 0.000 2.380 368 F HA 0.216 4.743 4.527 0.001 0.000 0.321 368 F C 0.888 176.722 175.800 0.058 0.000 1.103 368 F CA -0.994 56.992 58.000 -0.023 0.000 1.067 368 F CB 0.831 39.738 39.000 -0.155 0.000 1.265 368 F HN 0.213 nan 8.300 nan 0.000 0.517 369 D N -0.163 120.395 120.400 0.263 0.000 2.240 369 D HA 0.020 4.661 4.640 0.001 0.000 0.206 369 D C 0.445 176.817 176.300 0.119 0.000 0.963 369 D CA 0.940 55.086 54.000 0.243 0.000 0.863 369 D CB 0.479 41.334 40.800 0.091 0.000 0.973 369 D HN 0.463 nan 8.370 nan 0.000 0.501 370 S N -0.937 114.760 115.700 -0.006 0.000 2.655 370 S HA 0.556 5.027 4.470 0.001 0.000 0.266 370 S C -0.797 173.649 174.600 -0.256 0.000 1.149 370 S CA -0.767 57.356 58.200 -0.129 0.000 0.818 370 S CB 1.828 64.920 63.200 -0.180 0.000 1.130 370 S HN 0.002 nan 8.310 nan 0.000 0.476 371 V N -2.447 117.300 119.914 -0.278 0.000 3.165 371 V HA 0.716 4.837 4.120 0.001 0.000 0.309 371 V C -0.749 175.193 176.094 -0.254 0.000 1.267 371 V CA -1.439 60.659 62.300 -0.336 0.000 1.067 371 V CB 1.619 33.304 31.823 -0.230 0.000 1.082 371 V HN 0.942 nan 8.190 nan 0.000 0.451 372 M N 3.023 122.501 119.600 -0.204 0.000 2.217 372 M HA 0.311 4.792 4.480 0.001 0.000 0.352 372 M C 0.127 176.560 176.300 0.222 0.000 1.376 372 M CA 0.218 55.543 55.300 0.042 0.000 1.107 372 M CB -0.493 32.162 32.600 0.091 0.000 1.723 372 M HN 0.844 nan 8.290 nan 0.000 0.461 373 N N 3.625 122.467 118.700 0.237 0.000 3.124 373 N HA 0.000 4.741 4.740 0.001 0.000 0.284 373 N C 0.645 176.354 175.510 0.331 0.000 1.209 373 N CA -0.085 53.109 53.050 0.239 0.000 1.149 373 N CB -0.217 38.377 38.487 0.179 0.000 1.434 373 N HN 0.532 nan 8.380 nan 0.000 0.529 374 Y N 0.294 120.814 120.300 0.366 0.000 2.403 374 Y HA -0.084 4.466 4.550 0.001 0.000 0.291 374 Y C 1.386 177.444 175.900 0.264 0.000 1.143 374 Y CA 0.436 58.743 58.100 0.346 0.000 1.257 374 Y CB -0.120 38.587 38.460 0.412 0.000 0.984 374 Y HN 0.169 nan 8.280 nan 0.000 0.550 375 L N 0.075 121.038 121.223 -0.432 0.000 2.056 375 L HA -0.114 4.227 4.340 0.001 0.000 0.207 375 L C 2.376 179.253 176.870 0.011 0.000 1.078 375 L CA 1.409 56.063 54.840 -0.310 0.000 0.749 375 L CB -1.515 40.328 42.059 -0.360 0.000 0.901 375 L HN 0.458 nan 8.230 nan 0.000 0.433 376 F N 0.533 120.477 119.950 -0.009 0.000 2.102 376 F HA -0.241 4.287 4.527 0.001 0.000 0.298 376 F C 2.784 178.671 175.800 0.145 0.000 1.105 376 F CA 1.900 59.951 58.000 0.084 0.000 1.239 376 F CB -0.333 38.753 39.000 0.143 0.000 0.991 376 F HN 0.033 nan 8.300 nan 0.000 0.474 377 R N 0.471 121.208 120.500 0.396 0.000 2.081 377 R HA -0.178 4.163 4.340 0.001 0.000 0.235 377 R C 2.199 178.591 176.300 0.153 0.000 1.131 377 R CA 2.061 58.331 56.100 0.284 0.000 0.960 377 R CB -0.462 30.041 30.300 0.338 0.000 0.856 377 R HN 0.442 nan 8.270 nan 0.000 0.436 378 E N -0.242 120.037 120.200 0.130 0.000 2.077 378 E HA -0.138 4.213 4.350 0.001 0.000 0.193 378 E C 2.018 178.651 176.600 0.054 0.000 0.989 378 E CA 1.652 58.107 56.400 0.092 0.000 0.800 378 E CB 0.055 29.809 29.700 0.090 0.000 0.746 378 E HN 0.319 nan 8.360 nan 0.000 0.452 379 S N 0.221 115.924 115.700 0.006 0.000 2.383 379 S HA -0.094 4.377 4.470 0.001 0.000 0.227 379 S C 2.111 176.794 174.600 0.137 0.000 1.026 379 S CA 0.634 58.846 58.200 0.021 0.000 0.981 379 S CB 0.054 63.173 63.200 -0.135 0.000 0.818 379 S HN 0.052 nan 8.310 nan 0.000 0.472 380 V N 1.966 121.921 119.914 0.068 0.000 2.591 380 V HA -0.061 4.060 4.120 0.001 0.000 0.249 380 V C 2.125 178.453 176.094 0.390 0.000 1.053 380 V CA 0.946 63.381 62.300 0.225 0.000 1.068 380 V CB -0.471 31.330 31.823 -0.037 0.000 0.689 380 V HN 0.407 nan 8.190 nan 0.000 0.462 381 I N 0.329 121.087 120.570 0.314 0.000 2.142 381 I HA -0.203 3.968 4.170 0.001 0.000 0.240 381 I C 2.620 178.783 176.117 0.077 0.000 1.078 381 I CA 1.814 63.259 61.300 0.243 0.000 1.343 381 I CB -0.934 37.158 38.000 0.153 0.000 1.046 381 I HN 0.281 nan 8.210 nan 0.000 0.405 382 R N -0.782 119.748 120.500 0.050 0.000 2.148 382 R HA -0.161 4.179 4.340 0.001 0.000 0.227 382 R C 2.099 178.380 176.300 -0.032 0.000 1.103 382 R CA 1.072 57.170 56.100 -0.004 0.000 0.983 382 R CB -0.235 30.062 30.300 -0.004 0.000 0.874 382 R HN 0.228 nan 8.270 nan 0.000 0.451 383 F N -0.313 119.458 119.950 -0.300 0.000 2.164 383 F HA 0.069 4.597 4.527 0.001 0.000 0.287 383 F C 1.406 176.861 175.800 -0.575 0.000 1.086 383 F CA 0.993 58.613 58.000 -0.633 0.000 1.249 383 F CB -0.285 37.883 39.000 -1.387 0.000 1.059 383 F HN -0.187 nan 8.300 nan 0.000 0.490 384 F N -0.106 119.640 119.950 -0.340 0.000 2.270 384 F HA 0.157 4.685 4.527 0.001 0.000 0.295 384 F C 2.399 178.064 175.800 -0.225 0.000 1.087 384 F CA 0.851 58.653 58.000 -0.330 0.000 1.365 384 F CB -0.951 38.003 39.000 -0.076 0.000 1.056 384 F HN 0.060 nan 8.300 nan 0.000 0.506 385 A N 0.135 122.951 122.820 -0.007 0.000 1.862 385 A HA -0.072 4.248 4.320 0.001 0.000 0.211 385 A C 2.177 179.659 177.584 -0.170 0.000 1.220 385 A CA 1.804 53.714 52.037 -0.211 0.000 0.616 385 A CB -1.258 17.471 19.000 -0.452 0.000 0.878 385 A HN 0.324 nan 8.150 nan 0.000 0.453 386 T N -4.321 110.155 114.554 -0.129 0.000 3.051 386 T HA 0.378 4.729 4.350 0.001 0.000 0.255 386 T C 1.407 176.048 174.700 -0.098 0.000 1.085 386 T CA 1.190 63.227 62.100 -0.106 0.000 1.109 386 T CB -0.074 68.745 68.868 -0.082 0.000 0.921 386 T HN 1.779 nan 8.240 nan 0.000 0.488 387 G N 1.632 110.360 108.800 -0.119 0.000 2.198 387 G HA2 -0.273 3.688 3.960 0.001 0.000 0.260 387 G HA3 -0.273 3.688 3.960 0.001 0.000 0.260 387 G C 0.436 175.291 174.900 -0.075 0.000 1.025 387 G CA 0.473 45.501 45.100 -0.120 0.000 0.769 387 G HN 0.601 nan 8.290 nan 0.000 0.507 388 E N -0.766 119.394 120.200 -0.067 0.000 2.285 388 E HA 0.183 4.533 4.350 0.001 0.000 0.194 388 E C 1.543 178.100 176.600 -0.072 0.000 0.997 388 E CA 1.009 57.374 56.400 -0.059 0.000 0.845 388 E CB 0.144 29.812 29.700 -0.054 0.000 0.782 388 E HN 0.911 nan 8.360 nan 0.000 0.491 389 I N -2.118 118.415 120.570 -0.062 0.000 2.892 389 I HA 0.383 4.553 4.170 0.001 0.000 0.306 389 I C 0.074 176.194 176.117 0.007 0.000 1.078 389 I CA -1.194 60.036 61.300 -0.116 0.000 1.032 389 I CB 1.822 39.750 38.000 -0.121 0.000 1.229 389 I HN -0.135 nan 8.210 nan 0.000 0.435 390 H N 2.859 121.958 119.070 0.047 0.000 2.530 390 H HA 0.597 5.154 4.556 0.001 0.000 0.342 390 H C 0.872 176.224 175.328 0.040 0.000 1.312 390 H CA -0.472 55.633 56.048 0.095 0.000 1.376 390 H CB 1.555 31.338 29.762 0.036 0.000 1.692 390 H HN 0.786 nan 8.280 nan 0.000 0.622 391 A N 0.609 123.629 122.820 0.334 0.000 1.948 391 A HA -0.226 4.095 4.320 0.001 0.000 0.220 391 A C 2.093 179.656 177.584 -0.036 0.000 1.177 391 A CA 1.991 54.029 52.037 0.002 0.000 0.636 391 A CB -0.864 18.243 19.000 0.179 0.000 0.815 391 A HN 0.879 nan 8.150 nan 0.000 0.449 392 E N -1.276 119.013 120.200 0.147 0.000 2.107 392 E HA -0.175 4.176 4.350 0.001 0.000 0.191 392 E C 2.278 178.914 176.600 0.059 0.000 0.982 392 E CA 1.067 57.511 56.400 0.075 0.000 0.809 392 E CB -0.093 29.618 29.700 0.019 0.000 0.756 392 E HN 0.504 nan 8.360 nan 0.000 0.459 393 R N 0.971 121.556 120.500 0.141 0.000 2.075 393 R HA -0.122 4.218 4.340 0.001 0.000 0.232 393 R C 1.887 178.075 176.300 -0.186 0.000 1.126 393 R CA 1.263 57.298 56.100 -0.108 0.000 0.963 393 R CB -0.913 29.188 30.300 -0.332 0.000 0.858 393 R HN 0.207 nan 8.270 nan 0.000 0.435 394 F N 1.053 120.711 119.950 -0.487 0.000 2.091 394 F HA -0.279 4.249 4.527 0.001 0.000 0.299 394 F C 1.972 177.328 175.800 -0.740 0.000 1.103 394 F CA 2.127 59.660 58.000 -0.778 0.000 1.228 394 F CB -0.377 37.713 39.000 -1.516 0.000 0.984 394 F HN 0.215 nan 8.300 nan 0.000 0.477 395 D N 0.500 120.466 120.400 -0.723 0.000 2.092 395 D HA -0.221 4.420 4.640 0.001 0.000 0.193 395 D C 2.244 178.314 176.300 -0.383 0.000 0.994 395 D CA 1.676 55.265 54.000 -0.685 0.000 0.828 395 D CB -0.529 40.078 40.800 -0.321 0.000 0.963 395 D HN 0.354 nan 8.370 nan 0.000 0.450 396 A N 0.590 123.268 122.820 -0.236 0.000 1.883 396 A HA -0.211 4.110 4.320 0.001 0.000 0.217 396 A C 2.209 179.698 177.584 -0.158 0.000 1.186 396 A CA 1.914 53.874 52.037 -0.128 0.000 0.624 396 A CB -0.767 18.190 19.000 -0.071 0.000 0.822 396 A HN 0.369 nan 8.150 nan 0.000 0.444 397 E N -0.812 119.253 120.200 -0.225 0.000 2.058 397 E HA -0.201 4.149 4.350 0.001 0.000 0.194 397 E C 1.928 178.375 176.600 -0.254 0.000 0.997 397 E CA 1.197 57.470 56.400 -0.212 0.000 0.801 397 E CB -0.260 29.305 29.700 -0.225 0.000 0.746 397 E HN 0.404 nan 8.360 nan 0.000 0.450 398 L N 0.715 121.687 121.223 -0.419 0.000 1.989 398 L HA -0.194 4.146 4.340 0.001 0.000 0.211 398 L C 2.444 179.215 176.870 -0.166 0.000 1.071 398 L CA 1.896 56.518 54.840 -0.363 0.000 0.749 398 L CB -1.082 40.600 42.059 -0.628 0.000 0.890 398 L HN 0.132 nan 8.230 nan 0.000 0.431 399 T N -1.163 113.289 114.554 -0.168 0.000 2.708 399 T HA -0.250 4.101 4.350 0.001 0.000 0.266 399 T C 2.027 176.615 174.700 -0.188 0.000 1.037 399 T CA 1.548 63.569 62.100 -0.131 0.000 1.146 399 T CB -0.214 68.612 68.868 -0.071 0.000 0.865 399 T HN 0.253 nan 8.240 nan 0.000 0.435 400 R N 1.020 121.450 120.500 -0.117 0.000 2.083 400 R HA -0.101 4.239 4.340 0.001 0.000 0.237 400 R C 2.599 178.801 176.300 -0.163 0.000 1.137 400 R CA 1.598 57.647 56.100 -0.085 0.000 0.951 400 R CB -0.518 29.788 30.300 0.010 0.000 0.851 400 R HN 0.378 nan 8.270 nan 0.000 0.434 401 A N 1.067 123.799 122.820 -0.148 0.000 1.902 401 A HA -0.175 4.146 4.320 0.001 0.000 0.217 401 A C 2.234 179.700 177.584 -0.198 0.000 1.181 401 A CA 1.371 53.309 52.037 -0.164 0.000 0.623 401 A CB -0.649 18.291 19.000 -0.099 0.000 0.818 401 A HN 0.354 nan 8.150 nan 0.000 0.443 402 R N -1.180 119.228 120.500 -0.154 0.000 2.117 402 R HA -0.122 4.219 4.340 0.001 0.000 0.243 402 R C 1.398 177.551 176.300 -0.245 0.000 1.143 402 R CA 1.674 57.682 56.100 -0.154 0.000 0.968 402 R CB -0.235 29.990 30.300 -0.125 0.000 0.863 402 R HN 0.419 nan 8.270 nan 0.000 0.444 403 M N 0.324 119.705 119.600 -0.366 0.000 2.618 403 M HA -0.043 4.438 4.480 0.001 0.000 0.240 403 M C 1.549 177.640 176.300 -0.348 0.000 1.123 403 M CA 0.325 55.359 55.300 -0.444 0.000 1.060 403 M CB -0.376 31.703 32.600 -0.867 0.000 1.535 403 M HN 0.074 nan 8.290 nan 0.000 0.507 404 L N -0.921 120.054 121.223 -0.414 0.000 2.056 404 L HA -0.039 4.302 4.340 0.001 0.000 0.207 404 L C 0.425 176.943 176.870 -0.586 0.000 1.078 404 L CA 1.543 56.023 54.840 -0.599 0.000 0.749 404 L CB -0.525 40.922 42.059 -1.020 0.000 0.901 404 L HN 0.189 nan 8.230 nan 0.000 0.433 405 Y N -2.534 117.736 120.300 -0.050 0.000 2.662 405 Y HA 0.484 5.034 4.550 0.001 0.000 0.335 405 Y C -2.069 173.746 175.900 -0.142 0.000 1.066 405 Y CA -3.028 55.041 58.100 -0.053 0.000 1.116 405 Y CB -0.022 38.431 38.460 -0.011 0.000 1.308 405 Y HN -0.254 nan 8.280 nan 0.000 0.502 406 P HA -0.003 nan 4.420 nan 0.000 0.269 406 P C 0.423 177.531 177.300 -0.321 0.000 1.215 406 P CA 0.050 62.811 63.100 -0.565 0.000 0.780 406 P CB 0.606 31.830 31.700 -0.792 0.000 0.898 407 E N 1.843 121.897 120.200 -0.243 0.000 2.171 407 E HA -0.320 4.031 4.350 0.001 0.000 0.197 407 E C 0.950 177.404 176.600 -0.242 0.000 0.997 407 E CA 1.494 57.818 56.400 -0.127 0.000 0.810 407 E CB -0.499 29.207 29.700 0.010 0.000 0.738 407 E HN 0.419 nan 8.360 nan 0.000 0.467 408 Q N 0.824 120.376 119.800 -0.414 0.000 2.167 408 Q HA -0.030 4.310 4.340 0.001 0.000 0.202 408 Q C 2.105 177.679 176.000 -0.710 0.000 0.970 408 Q CA 1.937 57.355 55.803 -0.641 0.000 0.855 408 Q CB -0.157 27.960 28.738 -1.035 0.000 0.911 408 Q HN 0.496 nan 8.270 nan 0.000 0.438 409 A N 0.504 122.976 122.820 -0.579 0.000 1.861 409 A HA 0.119 4.440 4.320 0.001 0.000 0.212 409 A C 2.266 179.770 177.584 -0.134 0.000 1.199 409 A CA 1.112 52.983 52.037 -0.278 0.000 0.613 409 A CB -0.998 17.987 19.000 -0.024 0.000 0.846 409 A HN 0.345 nan 8.150 nan 0.000 0.446 410 A N -0.826 121.956 122.820 -0.063 0.000 1.948 410 A HA -0.260 4.061 4.320 0.001 0.000 0.220 410 A C 2.164 179.688 177.584 -0.101 0.000 1.177 410 A CA 1.948 53.971 52.037 -0.023 0.000 0.636 410 A CB -0.549 18.429 19.000 -0.037 0.000 0.815 410 A HN 0.540 nan 8.150 nan 0.000 0.449 411 Q N -0.215 119.493 119.800 -0.153 0.000 2.226 411 Q HA -0.106 4.235 4.340 0.001 0.000 0.204 411 Q C 1.545 177.457 176.000 -0.146 0.000 0.975 411 Q CA 1.690 57.393 55.803 -0.166 0.000 0.866 411 Q CB -0.376 28.255 28.738 -0.179 0.000 0.915 411 Q HN 0.553 nan 8.270 nan 0.000 0.440 412 G N 0.169 108.890 108.800 -0.131 0.000 3.575 412 G HA2 0.228 4.189 3.960 0.001 0.000 0.273 412 G HA3 0.228 4.189 3.960 0.001 0.000 0.273 412 G C -0.137 174.782 174.900 0.031 0.000 1.053 412 G CA -0.418 44.639 45.100 -0.072 0.000 0.803 412 G HN 0.093 nan 8.290 nan 0.000 0.528 413 L N 1.015 122.240 121.223 0.004 0.000 2.490 413 L HA 0.258 4.599 4.340 0.001 0.000 0.274 413 L C -0.213 176.760 176.870 0.172 0.000 1.201 413 L CA -1.092 53.778 54.840 0.051 0.000 0.869 413 L CB 0.001 42.087 42.059 0.047 0.000 1.123 413 L HN 0.187 nan 8.230 nan 0.000 0.484 414 W N 3.916 125.144 121.300 -0.119 0.000 2.437 414 W HA 0.209 4.870 4.660 0.001 0.000 0.312 414 W C 0.241 176.660 176.519 -0.167 0.000 1.242 414 W CA -0.811 56.453 57.345 -0.134 0.000 1.340 414 W CB -0.531 28.863 29.460 -0.110 0.000 1.327 414 W HN 0.399 nan 8.180 nan 0.000 0.476 415 N N 5.331 123.922 118.700 -0.181 0.000 2.521 415 N HA 0.177 4.918 4.740 0.001 0.000 0.236 415 N C -0.200 175.072 175.510 -0.397 0.000 1.067 415 N CA -0.236 52.420 53.050 -0.657 0.000 0.939 415 N CB 0.371 37.919 38.487 -1.565 0.000 1.201 415 N HN 0.384 nan 8.380 nan 0.000 0.511 416 L N -1.150 120.089 121.223 0.026 0.000 2.399 416 L HA 0.542 4.883 4.340 0.001 0.000 0.265 416 L C 0.457 177.527 176.870 0.334 0.000 1.089 416 L CA -0.764 54.185 54.840 0.181 0.000 0.802 416 L CB 1.143 43.347 42.059 0.241 0.000 1.180 416 L HN 0.213 nan 8.230 nan 0.000 0.454 417 L N -0.080 121.275 121.223 0.220 0.000 2.470 417 L HA 0.267 4.608 4.340 0.001 0.000 0.219 417 L C -0.352 176.665 176.870 0.245 0.000 1.071 417 L CA 0.222 55.141 54.840 0.133 0.000 0.850 417 L CB 0.024 41.992 42.059 -0.151 0.000 1.040 417 L HN 0.923 nan 8.230 nan 0.000 0.475 418 D N -2.015 118.490 120.400 0.175 0.000 2.865 418 D HA 0.458 5.099 4.640 0.001 0.000 0.343 418 D C -0.662 175.560 176.300 -0.130 0.000 1.372 418 D CA -0.252 53.781 54.000 0.056 0.000 0.862 418 D CB 1.053 41.898 40.800 0.076 0.000 1.425 418 D HN -0.067 nan 8.370 nan 0.000 0.501 419 S N -2.350 113.096 115.700 -0.423 0.000 2.703 419 S HA 0.311 4.782 4.470 0.001 0.000 0.273 419 S C 0.374 174.503 174.600 -0.785 0.000 1.178 419 S CA -0.485 57.379 58.200 -0.560 0.000 0.838 419 S CB 0.454 63.606 63.200 -0.079 0.000 1.178 419 S HN 0.880 nan 8.310 nan 0.000 0.494 420 H N 0.003 118.829 119.070 -0.408 0.000 2.567 420 H HA 0.204 4.760 4.556 0.001 0.000 0.276 420 H C -0.267 174.994 175.328 -0.112 0.000 1.016 420 H CA 0.994 56.946 56.048 -0.159 0.000 1.186 420 H CB -0.478 29.297 29.762 0.022 0.000 1.351 420 H HN 0.564 nan 8.280 nan 0.000 0.605 421 D N 1.137 121.214 120.400 -0.539 0.000 2.431 421 D HA 0.076 4.717 4.640 0.001 0.000 0.213 421 D C 0.609 176.771 176.300 -0.230 0.000 1.130 421 D CA 0.441 54.223 54.000 -0.362 0.000 0.834 421 D CB 1.042 41.607 40.800 -0.391 0.000 0.985 421 D HN 0.559 nan 8.370 nan 0.000 0.504 422 T N -2.293 112.128 114.554 -0.222 0.000 2.865 422 T HA 0.488 4.838 4.350 0.001 0.000 0.294 422 T C -0.123 174.508 174.700 -0.116 0.000 1.119 422 T CA -0.969 61.042 62.100 -0.149 0.000 1.007 422 T CB 2.444 71.240 68.868 -0.119 0.000 1.225 422 T HN -0.013 nan 8.240 nan 0.000 0.515 423 E N 0.784 120.941 120.200 -0.071 0.000 2.392 423 E HA 0.324 4.675 4.350 0.001 0.000 0.259 423 E C -0.306 176.290 176.600 -0.007 0.000 1.108 423 E CA -0.938 55.435 56.400 -0.045 0.000 0.916 423 E CB 0.767 30.439 29.700 -0.048 0.000 0.989 423 E HN 0.485 nan 8.360 nan 0.000 0.432 424 R N 0.870 121.385 120.500 0.026 0.000 2.594 424 R HA 0.037 4.378 4.340 0.001 0.000 0.272 424 R C 0.606 177.004 176.300 0.164 0.000 1.074 424 R CA -0.235 55.935 56.100 0.117 0.000 1.105 424 R CB 0.223 30.583 30.300 0.100 0.000 1.008 424 R HN 0.629 nan 8.270 nan 0.000 0.472 425 F N 2.337 122.390 119.950 0.173 0.000 2.161 425 F HA -0.241 4.287 4.527 0.001 0.000 0.300 425 F C 1.922 177.881 175.800 0.264 0.000 1.089 425 F CA 1.484 59.620 58.000 0.227 0.000 1.282 425 F CB -0.026 39.157 39.000 0.306 0.000 1.010 425 F HN 0.487 nan 8.300 nan 0.000 0.485 426 L N -0.582 120.840 121.223 0.333 0.000 2.012 426 L HA -0.278 4.063 4.340 0.001 0.000 0.210 426 L C 2.214 179.047 176.870 -0.062 0.000 1.073 426 L CA 2.201 57.077 54.840 0.060 0.000 0.748 426 L CB -0.828 41.094 42.059 -0.228 0.000 0.891 426 L HN 0.159 nan 8.230 nan 0.000 0.431 427 T N -0.933 113.583 114.554 -0.062 0.000 2.867 427 T HA -0.129 4.221 4.350 0.001 0.000 0.268 427 T C 1.964 176.587 174.700 -0.129 0.000 1.057 427 T CA 1.439 63.486 62.100 -0.088 0.000 1.136 427 T CB -0.044 68.784 68.868 -0.066 0.000 0.874 427 T HN 0.373 nan 8.240 nan 0.000 0.466 428 S N 0.603 116.192 115.700 -0.185 0.000 2.399 428 S HA -0.087 4.384 4.470 0.001 0.000 0.231 428 S C 1.948 176.367 174.600 -0.302 0.000 1.022 428 S CA 0.640 58.684 58.200 -0.259 0.000 0.983 428 S CB -0.398 62.572 63.200 -0.383 0.000 0.803 428 S HN 0.563 nan 8.310 nan 0.000 0.480 429 C N 1.726 120.830 119.300 -0.327 0.000 2.551 429 C HA 0.412 4.872 4.460 0.001 0.000 0.284 429 C C 1.871 176.767 174.990 -0.157 0.000 1.329 429 C CA -0.379 58.490 59.018 -0.248 0.000 1.683 429 C CB -1.774 25.862 27.740 -0.173 0.000 1.730 429 C HN 0.731 nan 8.230 nan 0.000 0.591 430 G N 0.651 109.368 108.800 -0.139 0.000 2.283 430 G HA2 -0.009 3.952 3.960 0.001 0.000 0.280 430 G HA3 -0.009 3.952 3.960 0.001 0.000 0.280 430 G C 1.014 175.858 174.900 -0.094 0.000 1.029 430 G CA 0.595 45.633 45.100 -0.105 0.000 0.840 430 G HN 1.480 nan 8.290 nan 0.000 0.505 431 G N -1.094 107.647 108.800 -0.098 0.000 2.184 431 G HA2 -0.352 3.609 3.960 0.001 0.000 0.264 431 G HA3 -0.352 3.609 3.960 0.001 0.000 0.264 431 G C 0.369 175.215 174.900 -0.090 0.000 0.975 431 G CA 0.775 45.818 45.100 -0.094 0.000 0.642 431 G HN 1.450 nan 8.290 nan 0.000 0.536 432 N N 1.000 119.645 118.700 -0.093 0.000 2.405 432 N HA 0.179 4.920 4.740 0.001 0.000 0.260 432 N C 1.140 176.610 175.510 -0.067 0.000 1.152 432 N CA 0.517 53.506 53.050 -0.102 0.000 0.948 432 N CB 0.743 39.136 38.487 -0.158 0.000 1.111 432 N HN 0.590 nan 8.380 nan 0.000 0.485 433 E N 3.267 123.434 120.200 -0.056 0.000 2.208 433 E HA -0.101 4.250 4.350 0.001 0.000 0.193 433 E C 1.374 177.978 176.600 0.008 0.000 0.988 433 E CA 0.700 57.100 56.400 0.001 0.000 0.828 433 E CB 0.161 29.839 29.700 -0.036 0.000 0.763 433 E HN 0.729 nan 8.360 nan 0.000 0.478 434 A N 1.329 124.095 122.820 -0.090 0.000 1.933 434 A HA -0.186 4.134 4.320 0.001 0.000 0.218 434 A C 1.975 179.424 177.584 -0.225 0.000 1.175 434 A CA 1.442 53.402 52.037 -0.129 0.000 0.628 434 A CB -0.220 18.716 19.000 -0.105 0.000 0.814 434 A HN 0.113 nan 8.150 nan 0.000 0.444 435 K N -1.617 118.577 120.400 -0.344 0.000 2.062 435 K HA -0.032 4.288 4.320 0.001 0.000 0.205 435 K C 1.788 178.386 176.600 -0.004 0.000 1.051 435 K CA 1.345 57.465 56.287 -0.279 0.000 0.941 435 K CB -0.323 31.995 32.500 -0.303 0.000 0.719 435 K HN 0.482 nan 8.250 nan 0.000 0.440 436 F N 2.415 122.346 119.950 -0.032 0.000 2.095 436 F HA -0.202 4.326 4.527 0.001 0.000 0.298 436 F C 2.166 177.999 175.800 0.054 0.000 1.104 436 F CA 1.502 59.589 58.000 0.144 0.000 1.232 436 F CB 0.044 39.124 39.000 0.134 0.000 0.987 436 F HN -0.134 nan 8.300 nan 0.000 0.475 437 R N -0.269 120.290 120.500 0.097 0.000 2.096 437 R HA -0.157 4.184 4.340 0.001 0.000 0.235 437 R C 2.120 178.390 176.300 -0.049 0.000 1.127 437 R CA 1.456 57.530 56.100 -0.043 0.000 0.968 437 R CB -0.819 29.294 30.300 -0.312 0.000 0.861 437 R HN 0.324 nan 8.270 nan 0.000 0.440 438 L N 0.731 121.891 121.223 -0.106 0.000 2.083 438 L HA -0.082 4.259 4.340 0.001 0.000 0.209 438 L C 2.211 178.772 176.870 -0.516 0.000 1.083 438 L CA 1.720 56.485 54.840 -0.125 0.000 0.752 438 L CB -0.563 41.499 42.059 0.005 0.000 0.899 438 L HN 0.109 nan 8.230 nan 0.000 0.433 439 A N -1.453 120.874 122.820 -0.822 0.000 1.898 439 A HA -0.115 4.206 4.320 0.001 0.000 0.216 439 A C 2.239 179.511 177.584 -0.521 0.000 1.181 439 A CA 1.774 53.151 52.037 -1.100 0.000 0.620 439 A CB -0.936 17.603 19.000 -0.768 0.000 0.819 439 A HN 0.256 nan 8.150 nan 0.000 0.442 440 V N -0.047 119.574 119.914 -0.488 0.000 2.343 440 V HA -0.237 3.883 4.120 0.001 0.000 0.247 440 V C 2.482 178.442 176.094 -0.223 0.000 1.051 440 V CA 1.822 63.875 62.300 -0.410 0.000 1.036 440 V CB -0.779 30.721 31.823 -0.539 0.000 0.654 440 V HN 0.632 nan 8.190 nan 0.000 0.451 441 L N -0.789 120.395 121.223 -0.066 0.000 2.042 441 L HA -0.220 4.121 4.340 0.001 0.000 0.210 441 L C 2.307 179.247 176.870 0.115 0.000 1.076 441 L CA 2.061 56.906 54.840 0.009 0.000 0.749 441 L CB -0.326 41.838 42.059 0.176 0.000 0.893 441 L HN 0.393 nan 8.230 nan 0.000 0.432 442 F N 0.136 120.111 119.950 0.041 0.000 2.113 442 F HA -0.273 4.255 4.527 0.001 0.000 0.297 442 F C 2.648 178.615 175.800 0.277 0.000 1.103 442 F CA 1.941 60.100 58.000 0.265 0.000 1.248 442 F CB -0.240 38.938 39.000 0.297 0.000 0.999 442 F HN 0.158 nan 8.300 nan 0.000 0.475 443 Q N -0.190 119.665 119.800 0.092 0.000 2.096 443 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 443 Q C 1.899 177.845 176.000 -0.091 0.000 0.982 443 Q CA 1.705 57.557 55.803 0.082 0.000 0.850 443 Q CB -0.078 28.718 28.738 0.097 0.000 0.901 443 Q HN 0.374 nan 8.270 nan 0.000 0.422 444 M N -0.130 119.399 119.600 -0.119 0.000 2.595 444 M HA -0.013 4.468 4.480 0.001 0.000 0.248 444 M C 1.483 177.722 176.300 -0.100 0.000 1.119 444 M CA 1.142 56.350 55.300 -0.153 0.000 1.079 444 M CB -0.125 32.334 32.600 -0.235 0.000 1.472 444 M HN 0.293 nan 8.290 nan 0.000 0.501 445 T N -4.511 110.039 114.554 -0.006 0.000 3.040 445 T HA 0.121 4.471 4.350 0.001 0.000 0.266 445 T C 0.203 175.040 174.700 0.229 0.000 1.005 445 T CA -0.369 61.798 62.100 0.112 0.000 0.906 445 T CB -0.034 68.959 68.868 0.208 0.000 1.082 445 T HN 0.096 nan 8.240 nan 0.000 0.531 446 Y N 1.801 122.003 120.300 -0.165 0.000 2.334 446 Y HA 0.599 5.150 4.550 0.001 0.000 0.325 446 Y C 0.033 175.813 175.900 -0.201 0.000 1.308 446 Y CA -2.488 55.410 58.100 -0.337 0.000 1.389 446 Y CB 0.713 38.668 38.460 -0.842 0.000 1.328 446 Y HN 0.138 nan 8.280 nan 0.000 0.532 447 L N 3.534 124.079 121.223 -1.130 0.000 2.418 447 L HA 0.504 4.844 4.340 0.001 0.000 0.274 447 L C 0.127 176.693 176.870 -0.507 0.000 1.135 447 L CA 1.291 55.688 54.840 -0.739 0.000 0.870 447 L CB -0.544 41.045 42.059 -0.784 0.000 1.154 447 L HN 0.822 nan 8.230 nan 0.000 0.462 448 G N 2.614 111.239 108.800 -0.290 0.000 2.347 448 G HA2 0.019 3.980 3.960 0.001 0.000 0.341 448 G HA3 0.019 3.980 3.960 0.001 0.000 0.341 448 G C -0.916 173.877 174.900 -0.178 0.000 1.287 448 G CA -0.527 44.455 45.100 -0.198 0.000 0.984 448 G HN 0.582 nan 8.290 nan 0.000 0.526 449 T N 3.087 117.560 114.554 -0.135 0.000 2.733 449 T HA 0.596 4.947 4.350 0.001 0.000 0.294 449 T C -2.489 172.059 174.700 -0.252 0.000 0.956 449 T CA -0.673 61.324 62.100 -0.173 0.000 0.987 449 T CB 1.630 70.409 68.868 -0.148 0.000 0.920 449 T HN 0.368 nan 8.240 nan 0.000 0.470 450 P HA 0.260 nan 4.420 nan 0.000 0.271 450 P C -0.948 176.220 177.300 -0.219 0.000 1.220 450 P CA -0.629 62.338 63.100 -0.222 0.000 0.768 450 P CB 0.478 32.081 31.700 -0.162 0.000 0.848 451 L N 5.504 126.625 121.223 -0.170 0.000 2.349 451 L HA 0.480 4.821 4.340 0.001 0.000 0.278 451 L C -1.029 175.850 176.870 0.016 0.000 0.996 451 L CA -0.400 54.361 54.840 -0.132 0.000 0.825 451 L CB 0.699 42.697 42.059 -0.101 0.000 1.243 451 L HN 0.246 nan 8.230 nan 0.000 0.412 452 I N 5.164 125.757 120.570 0.038 0.000 2.331 452 I HA 0.200 4.370 4.170 0.001 0.000 0.292 452 I C -1.009 175.068 176.117 -0.067 0.000 0.998 452 I CA -0.809 60.536 61.300 0.075 0.000 1.267 452 I CB 1.098 39.190 38.000 0.152 0.000 1.386 452 I HN 0.544 nan 8.210 nan 0.000 0.476 453 Y N 8.555 128.790 120.300 -0.108 0.000 2.365 453 Y HA 0.182 4.733 4.550 0.001 0.000 0.340 453 Y C 0.026 175.730 175.900 -0.327 0.000 1.016 453 Y CA -1.357 56.654 58.100 -0.149 0.000 1.196 453 Y CB 0.241 38.688 38.460 -0.022 0.000 1.167 453 Y HN 0.464 nan 8.280 nan 0.000 0.509 454 Y N 4.890 124.676 120.300 -0.858 0.000 2.996 454 Y HA 0.242 4.793 4.550 0.001 0.000 0.347 454 Y C 1.073 176.762 175.900 -0.353 0.000 1.276 454 Y CA 0.339 58.072 58.100 -0.613 0.000 1.601 454 Y CB -0.142 38.183 38.460 -0.225 0.000 1.193 454 Y HN 0.968 nan 8.280 nan 0.000 0.582 455 G N 2.931 111.656 108.800 -0.126 0.000 2.268 455 G HA2 -0.362 3.599 3.960 0.001 0.000 0.240 455 G HA3 -0.362 3.599 3.960 0.001 0.000 0.240 455 G C 0.746 175.547 174.900 -0.166 0.000 1.010 455 G CA 0.359 45.327 45.100 -0.221 0.000 0.618 455 G HN 0.624 nan 8.290 nan 0.000 0.516 456 D N 1.254 121.576 120.400 -0.129 0.000 2.144 456 D HA -0.033 4.608 4.640 0.001 0.000 0.199 456 D C 2.472 178.798 176.300 0.043 0.000 0.984 456 D CA 1.441 55.479 54.000 0.063 0.000 0.834 456 D CB -0.141 40.840 40.800 0.301 0.000 0.955 456 D HN 0.708 nan 8.370 nan 0.000 0.465 457 E N 1.209 121.294 120.200 -0.193 0.000 2.333 457 E HA -0.159 4.192 4.350 0.001 0.000 0.198 457 E C 1.639 178.275 176.600 0.061 0.000 1.007 457 E CA 0.640 56.744 56.400 -0.493 0.000 0.845 457 E CB -0.494 28.904 29.700 -0.504 0.000 0.766 457 E HN 0.525 nan 8.360 nan 0.000 0.507 458 I N -3.717 116.896 120.570 0.071 0.000 3.927 458 I HA 0.538 4.709 4.170 0.001 0.000 0.332 458 I C 0.885 176.986 176.117 -0.027 0.000 1.485 458 I CA -0.148 61.191 61.300 0.065 0.000 1.131 458 I CB 0.539 38.531 38.000 -0.014 0.000 1.092 458 I HN -0.005 nan 8.210 nan 0.000 0.410 459 G N 2.063 110.819 108.800 -0.075 0.000 2.225 459 G HA2 -0.262 3.699 3.960 0.001 0.000 0.264 459 G HA3 -0.262 3.699 3.960 0.001 0.000 0.264 459 G C 0.039 174.824 174.900 -0.192 0.000 1.060 459 G CA 0.096 45.082 45.100 -0.191 0.000 0.833 459 G HN 0.458 nan 8.290 nan 0.000 0.498 460 M N -0.043 119.449 119.600 -0.179 0.000 2.241 460 M HA 0.542 5.023 4.480 0.001 0.000 0.335 460 M C 0.727 176.932 176.300 -0.158 0.000 1.122 460 M CA 0.769 55.965 55.300 -0.173 0.000 1.164 460 M CB 1.206 33.680 32.600 -0.210 0.000 1.459 460 M HN 0.620 nan 8.290 nan 0.000 0.461 461 A N 0.996 123.737 122.820 -0.132 0.000 2.437 461 A HA 1.025 5.346 4.320 0.001 0.000 0.292 461 A C -0.487 177.048 177.584 -0.082 0.000 1.173 461 A CA -0.299 51.677 52.037 -0.102 0.000 0.785 461 A CB 1.883 20.820 19.000 -0.105 0.000 1.351 461 A HN 0.930 nan 8.150 nan 0.000 0.431 462 G N -1.583 107.180 108.800 -0.061 0.000 2.386 462 G HA2 0.636 4.597 3.960 0.001 0.000 0.302 462 G HA3 0.636 4.597 3.960 0.001 0.000 0.302 462 G C -0.421 174.451 174.900 -0.046 0.000 1.629 462 G CA 0.200 45.267 45.100 -0.055 0.000 0.917 462 G HN 1.818 nan 8.290 nan 0.000 0.676 463 A N 0.742 123.531 122.820 -0.052 0.000 2.267 463 A HA 0.845 5.165 4.320 0.001 0.000 0.271 463 A C 1.263 178.816 177.584 -0.053 0.000 1.131 463 A CA 0.832 52.838 52.037 -0.052 0.000 0.818 463 A CB 0.307 19.276 19.000 -0.052 0.000 1.118 463 A HN 1.848 nan 8.150 nan 0.000 0.501 464 T N -0.765 113.756 114.554 -0.055 0.000 2.680 464 T HA 0.156 4.506 4.350 0.001 0.000 0.314 464 T C 0.345 175.006 174.700 -0.065 0.000 1.045 464 T CA 0.470 62.533 62.100 -0.062 0.000 1.025 464 T CB -0.119 68.712 68.868 -0.061 0.000 1.000 464 T HN 0.789 nan 8.240 nan 0.000 0.535 465 D N 1.484 121.844 120.400 -0.067 0.000 2.648 465 D HA -0.013 4.627 4.640 0.001 0.000 0.229 465 D C -1.291 174.956 176.300 -0.088 0.000 1.119 465 D CA -1.035 52.931 54.000 -0.057 0.000 0.850 465 D CB 0.805 41.593 40.800 -0.022 0.000 1.169 465 D HN 0.305 nan 8.370 nan 0.000 0.489 466 P HA 0.057 nan 4.420 nan 0.000 0.255 466 P C 0.331 177.578 177.300 -0.089 0.000 1.248 466 P CA 0.026 63.043 63.100 -0.137 0.000 0.807 466 P CB 0.444 32.010 31.700 -0.223 0.000 1.150 467 D N 0.405 120.750 120.400 -0.091 0.000 2.312 467 D HA -0.109 4.531 4.640 0.001 0.000 0.211 467 D C 1.521 177.790 176.300 -0.051 0.000 0.964 467 D CA 0.720 54.680 54.000 -0.068 0.000 0.877 467 D CB -0.451 40.309 40.800 -0.067 0.000 0.924 467 D HN 0.211 nan 8.370 nan 0.000 0.515 468 C N -0.991 118.288 119.300 -0.035 0.000 2.626 468 C HA 0.345 4.806 4.460 0.001 0.000 0.266 468 C C 1.497 176.525 174.990 0.064 0.000 1.317 468 C CA -0.632 58.397 59.018 0.019 0.000 1.716 468 C CB -1.117 26.634 27.740 0.018 0.000 1.819 468 C HN 0.038 nan 8.230 nan 0.000 0.578 469 R N 0.828 121.331 120.500 0.005 0.000 2.702 469 R HA 0.255 4.595 4.340 0.001 0.000 0.314 469 R C 0.193 176.513 176.300 0.033 0.000 1.152 469 R CA -0.271 55.847 56.100 0.030 0.000 1.097 469 R CB -0.030 30.183 30.300 -0.146 0.000 1.343 469 R HN 0.583 nan 8.270 nan 0.000 0.575 470 R N 2.142 122.605 120.500 -0.063 0.000 2.784 470 R HA 0.075 4.416 4.340 0.001 0.000 0.266 470 R C -2.074 174.032 176.300 -0.323 0.000 1.044 470 R CA -1.326 54.631 56.100 -0.239 0.000 1.151 470 R CB -0.038 30.129 30.300 -0.222 0.000 1.037 470 R HN 0.000 nan 8.270 nan 0.000 0.478 471 P HA -0.064 nan 4.420 nan 0.000 0.271 471 P C -0.460 176.560 177.300 -0.466 0.000 1.216 471 P CA -0.233 62.223 63.100 -1.073 0.000 0.771 471 P CB 0.621 30.958 31.700 -2.272 0.000 0.864 472 M N 4.420 123.982 119.600 -0.063 0.000 2.248 472 M HA 0.008 4.489 4.480 0.001 0.000 0.343 472 M C -0.333 175.788 176.300 -0.299 0.000 1.243 472 M CA 0.695 55.910 55.300 -0.142 0.000 1.025 472 M CB -0.732 31.654 32.600 -0.357 0.000 1.759 472 M HN 0.209 nan 8.290 nan 0.000 0.452 473 I N 6.674 126.991 120.570 -0.422 0.000 2.347 473 I HA 0.002 4.173 4.170 0.001 0.000 0.294 473 I C -0.246 175.583 176.117 -0.480 0.000 1.090 473 I CA 0.267 61.389 61.300 -0.297 0.000 1.314 473 I CB 0.271 38.146 38.000 -0.207 0.000 1.423 473 I HN 0.908 nan 8.210 nan 0.000 0.503 474 W N 3.210 124.475 121.300 -0.058 0.000 2.872 474 W HA 0.107 4.768 4.660 0.001 0.000 0.266 474 W C 1.139 177.571 176.519 -0.143 0.000 1.276 474 W CA -0.391 56.844 57.345 -0.184 0.000 1.471 474 W CB 0.405 29.715 29.460 -0.250 0.000 1.071 474 W HN 0.426 nan 8.180 nan 0.000 0.619 475 E N 2.346 122.608 120.200 0.104 0.000 2.292 475 E HA -0.101 4.250 4.350 0.001 0.000 0.265 475 E C 1.268 177.878 176.600 0.016 0.000 1.093 475 E CA 0.065 56.496 56.400 0.052 0.000 0.922 475 E CB 0.711 30.436 29.700 0.041 0.000 1.001 475 E HN 0.223 nan 8.360 nan 0.000 0.444 476 E N 4.092 124.301 120.200 0.016 0.000 2.147 476 E HA -0.286 4.065 4.350 0.001 0.000 0.199 476 E C 1.099 177.698 176.600 -0.003 0.000 1.005 476 E CA 1.672 58.072 56.400 -0.001 0.000 0.810 476 E CB 0.236 29.940 29.700 0.007 0.000 0.736 476 E HN 0.485 nan 8.360 nan 0.000 0.460 477 K N -0.231 120.172 120.400 0.004 0.000 2.283 477 K HA -0.093 4.228 4.320 0.001 0.000 0.202 477 K C 1.458 178.056 176.600 -0.004 0.000 1.048 477 K CA 0.881 57.171 56.287 0.004 0.000 0.948 477 K CB 0.188 32.692 32.500 0.007 0.000 0.742 477 K HN 0.085 nan 8.250 nan 0.000 0.458 478 E N 0.603 120.797 120.200 -0.011 0.000 2.474 478 E HA 0.037 4.388 4.350 0.001 0.000 0.195 478 E C -0.024 176.550 176.600 -0.043 0.000 1.039 478 E CA 0.332 56.718 56.400 -0.023 0.000 0.881 478 E CB 0.397 30.085 29.700 -0.020 0.000 0.970 478 E HN 0.381 nan 8.360 nan 0.000 0.486 479 Q N 0.681 120.455 119.800 -0.043 0.000 2.205 479 Q HA 0.244 4.584 4.340 0.001 0.000 0.249 479 Q C 0.124 176.113 176.000 -0.018 0.000 0.948 479 Q CA -0.567 55.201 55.803 -0.057 0.000 0.895 479 Q CB 0.939 29.625 28.738 -0.087 0.000 1.249 479 Q HN -0.141 nan 8.270 nan 0.000 0.458 480 N N 1.556 120.257 118.700 0.002 0.000 2.602 480 N HA 0.046 4.787 4.740 0.001 0.000 0.238 480 N C 0.110 175.693 175.510 0.122 0.000 1.084 480 N CA -0.013 53.064 53.050 0.044 0.000 0.952 480 N CB 0.466 38.970 38.487 0.028 0.000 1.244 480 N HN 0.450 nan 8.380 nan 0.000 0.512 481 R N 1.897 122.468 120.500 0.119 0.000 2.235 481 R HA 0.031 4.371 4.340 0.001 0.000 0.213 481 R C 1.644 178.099 176.300 0.258 0.000 1.059 481 R CA 0.614 56.836 56.100 0.202 0.000 0.997 481 R CB -0.557 29.825 30.300 0.137 0.000 0.884 481 R HN 0.544 nan 8.270 nan 0.000 0.462 482 G N 1.148 110.058 108.800 0.184 0.000 2.404 482 G HA2 -0.196 3.765 3.960 0.001 0.000 0.215 482 G HA3 -0.196 3.765 3.960 0.001 0.000 0.215 482 G C 1.525 176.572 174.900 0.244 0.000 1.174 482 G CA 0.013 45.217 45.100 0.174 0.000 0.780 482 G HN 0.191 nan 8.290 nan 0.000 0.537 483 L N -0.680 120.699 121.223 0.259 0.000 2.017 483 L HA 0.013 4.353 4.340 0.001 0.000 0.208 483 L C 2.590 179.782 176.870 0.536 0.000 1.073 483 L CA 1.286 56.359 54.840 0.388 0.000 0.745 483 L CB -0.295 41.966 42.059 0.337 0.000 0.894 483 L HN 0.311 nan 8.230 nan 0.000 0.432 484 F N 0.840 120.946 119.950 0.261 0.000 2.091 484 F HA -0.301 4.227 4.527 0.001 0.000 0.299 484 F C 2.540 178.480 175.800 0.233 0.000 1.103 484 F CA 1.686 59.811 58.000 0.209 0.000 1.228 484 F CB 0.045 39.130 39.000 0.141 0.000 0.984 484 F HN 0.101 nan 8.300 nan 0.000 0.477 485 E N -0.174 120.180 120.200 0.257 0.000 2.204 485 E HA -0.215 4.136 4.350 0.001 0.000 0.194 485 E C 2.012 178.704 176.600 0.153 0.000 0.989 485 E CA 0.988 57.465 56.400 0.128 0.000 0.824 485 E CB -0.725 29.088 29.700 0.187 0.000 0.756 485 E HN 0.570 nan 8.360 nan 0.000 0.477 486 F N 0.188 120.201 119.950 0.104 0.000 2.084 486 F HA -0.261 4.266 4.527 0.001 0.000 0.296 486 F C 2.124 177.952 175.800 0.047 0.000 1.111 486 F CA 1.236 59.285 58.000 0.081 0.000 1.224 486 F CB -0.203 38.872 39.000 0.125 0.000 0.991 486 F HN -0.063 nan 8.300 nan 0.000 0.471 487 Y N 1.085 121.377 120.300 -0.013 0.000 2.097 487 Y HA -0.266 4.285 4.550 0.001 0.000 0.282 487 Y C 2.462 178.210 175.900 -0.254 0.000 1.152 487 Y CA 2.138 60.145 58.100 -0.155 0.000 1.136 487 Y CB -0.649 37.783 38.460 -0.047 0.000 0.975 487 Y HN -0.025 nan 8.280 nan 0.000 0.498 488 K N -0.106 120.215 120.400 -0.131 0.000 2.044 488 K HA -0.286 4.035 4.320 0.001 0.000 0.210 488 K C 2.124 178.636 176.600 -0.147 0.000 1.049 488 K CA 1.964 58.126 56.287 -0.208 0.000 0.927 488 K CB -0.253 32.062 32.500 -0.309 0.000 0.713 488 K HN 0.390 nan 8.250 nan 0.000 0.443 489 E N 0.960 121.077 120.200 -0.139 0.000 2.051 489 E HA -0.181 4.169 4.350 0.001 0.000 0.192 489 E C 2.022 178.501 176.600 -0.202 0.000 0.991 489 E CA 0.883 57.202 56.400 -0.134 0.000 0.799 489 E CB 0.018 29.663 29.700 -0.092 0.000 0.748 489 E HN 0.217 nan 8.360 nan 0.000 0.449 490 L N 0.659 121.685 121.223 -0.328 0.000 2.046 490 L HA -0.191 4.149 4.340 0.001 0.000 0.208 490 L C 2.562 179.272 176.870 -0.266 0.000 1.077 490 L CA 0.923 55.548 54.840 -0.357 0.000 0.747 490 L CB -0.337 41.398 42.059 -0.539 0.000 0.896 490 L HN 0.265 nan 8.230 nan 0.000 0.432 491 I N -0.611 119.824 120.570 -0.224 0.000 2.226 491 I HA -0.285 3.886 4.170 0.001 0.000 0.245 491 I C 2.768 178.773 176.117 -0.186 0.000 1.100 491 I CA 1.215 62.389 61.300 -0.211 0.000 1.374 491 I CB -0.302 37.636 38.000 -0.103 0.000 1.057 491 I HN 0.219 nan 8.210 nan 0.000 0.413 492 R N 0.497 120.939 120.500 -0.098 0.000 2.081 492 R HA -0.128 4.213 4.340 0.001 0.000 0.235 492 R C 2.347 178.597 176.300 -0.083 0.000 1.131 492 R CA 1.218 57.298 56.100 -0.033 0.000 0.960 492 R CB -0.388 29.886 30.300 -0.043 0.000 0.856 492 R HN 0.359 nan 8.270 nan 0.000 0.436 493 L N 0.173 121.312 121.223 -0.139 0.000 2.017 493 L HA -0.192 4.148 4.340 0.001 0.000 0.208 493 L C 2.817 179.580 176.870 -0.179 0.000 1.073 493 L CA 1.331 56.077 54.840 -0.157 0.000 0.745 493 L CB -0.400 41.565 42.059 -0.156 0.000 0.894 493 L HN 0.194 nan 8.230 nan 0.000 0.432 494 R N -0.906 119.453 120.500 -0.236 0.000 2.105 494 R HA -0.193 4.148 4.340 0.001 0.000 0.239 494 R C 2.297 178.447 176.300 -0.251 0.000 1.135 494 R CA 1.412 57.348 56.100 -0.274 0.000 0.967 494 R CB -0.148 29.926 30.300 -0.376 0.000 0.861 494 R HN 0.459 nan 8.270 nan 0.000 0.442 495 H N -0.598 118.415 119.070 -0.095 0.000 2.502 495 H HA 0.033 4.590 4.556 0.001 0.000 0.283 495 H C 1.837 177.105 175.328 -0.100 0.000 1.015 495 H CA 0.954 56.952 56.048 -0.083 0.000 1.298 495 H CB 0.180 29.899 29.762 -0.071 0.000 1.411 495 H HN 0.222 nan 8.280 nan 0.000 0.556 496 R N 0.023 120.503 120.500 -0.032 0.000 2.173 496 R HA 0.169 4.510 4.340 0.001 0.000 0.208 496 R C 0.270 176.460 176.300 -0.184 0.000 1.035 496 R CA 0.143 56.176 56.100 -0.112 0.000 1.004 496 R CB 0.437 30.641 30.300 -0.161 0.000 0.917 496 R HN 0.048 nan 8.270 nan 0.000 0.462 497 L N 0.858 121.967 121.223 -0.189 0.000 2.272 497 L HA 0.315 4.655 4.340 0.001 0.000 0.284 497 L C 1.103 177.910 176.870 -0.106 0.000 1.045 497 L CA -0.559 54.157 54.840 -0.206 0.000 0.842 497 L CB 1.589 43.511 42.059 -0.228 0.000 1.224 497 L HN 0.105 nan 8.230 nan 0.000 0.430 498 A N 2.106 124.881 122.820 -0.074 0.000 1.986 498 A HA -0.177 4.144 4.320 0.001 0.000 0.220 498 A C 2.314 179.882 177.584 -0.026 0.000 1.171 498 A CA 2.110 54.125 52.037 -0.037 0.000 0.640 498 A CB -0.229 18.759 19.000 -0.021 0.000 0.811 498 A HN 0.726 nan 8.150 nan 0.000 0.451 499 S N -0.232 115.461 115.700 -0.013 0.000 2.382 499 S HA -0.086 4.385 4.470 0.001 0.000 0.228 499 S C 1.689 176.287 174.600 -0.003 0.000 1.027 499 S CA 1.400 59.607 58.200 0.012 0.000 0.991 499 S CB -0.406 62.828 63.200 0.056 0.000 0.823 499 S HN 0.571 nan 8.310 nan 0.000 0.469 500 L N 1.182 122.390 121.223 -0.025 0.000 2.275 500 L HA -0.071 4.270 4.340 0.001 0.000 0.215 500 L C 2.575 179.403 176.870 -0.069 0.000 1.119 500 L CA 1.457 56.275 54.840 -0.037 0.000 0.790 500 L CB -0.925 41.095 42.059 -0.065 0.000 0.919 500 L HN 0.515 nan 8.230 nan 0.000 0.443 501 T N -4.225 110.290 114.554 -0.066 0.000 3.038 501 T HA 0.060 4.411 4.350 0.001 0.000 0.244 501 T C 1.722 176.379 174.700 -0.071 0.000 1.016 501 T CA -0.197 61.859 62.100 -0.073 0.000 1.098 501 T CB 0.125 68.966 68.868 -0.047 0.000 0.954 501 T HN 0.162 nan 8.240 nan 0.000 0.469 502 R N 1.061 121.529 120.500 -0.053 0.000 2.543 502 R HA 0.459 4.799 4.340 0.001 0.000 0.323 502 R C 0.848 177.123 176.300 -0.042 0.000 1.002 502 R CA -0.304 55.765 56.100 -0.052 0.000 1.106 502 R CB 1.040 31.317 30.300 -0.038 0.000 1.280 502 R HN 0.446 nan 8.270 nan 0.000 0.549 503 G N 0.543 109.322 108.800 -0.035 0.000 2.462 503 G HA2 0.144 4.105 3.960 0.001 0.000 0.319 503 G HA3 0.144 4.105 3.960 0.001 0.000 0.319 503 G C -0.385 174.499 174.900 -0.028 0.000 1.171 503 G CA -0.756 44.336 45.100 -0.013 0.000 0.920 503 G HN 0.332 nan 8.290 nan 0.000 0.499 504 N N -2.098 116.599 118.700 -0.005 0.000 2.364 504 N HA 0.494 5.235 4.740 0.001 0.000 0.264 504 N C -0.910 174.604 175.510 0.007 0.000 1.263 504 N CA -0.742 52.298 53.050 -0.016 0.000 0.959 504 N CB 1.421 39.910 38.487 0.003 0.000 1.204 504 N HN 0.238 nan 8.380 nan 0.000 0.550 505 V N -0.217 119.698 119.914 0.002 0.000 2.656 505 V HA 0.536 4.657 4.120 0.001 0.000 0.307 505 V C -0.469 175.689 176.094 0.105 0.000 1.051 505 V CA -0.875 61.468 62.300 0.072 0.000 0.893 505 V CB 1.511 33.326 31.823 -0.013 0.000 0.999 505 V HN 0.700 nan 8.190 nan 0.000 0.426 506 R N 1.666 122.271 120.500 0.175 0.000 2.621 506 R HA 0.538 4.879 4.340 0.001 0.000 0.284 506 R C -0.679 175.772 176.300 0.251 0.000 0.998 506 R CA -0.623 55.570 56.100 0.156 0.000 0.895 506 R CB 2.268 32.616 30.300 0.081 0.000 1.195 506 R HN 0.709 nan 8.270 nan 0.000 0.450 507 S N 1.625 117.481 115.700 0.259 0.000 2.549 507 S HA 0.059 4.530 4.470 0.001 0.000 0.279 507 S C 0.274 175.057 174.600 0.305 0.000 1.321 507 S CA -0.293 58.105 58.200 0.330 0.000 1.054 507 S CB 0.592 64.000 63.200 0.346 0.000 0.899 507 S HN 0.645 nan 8.310 nan 0.000 0.497 508 W N 3.209 124.531 121.300 0.037 0.000 2.777 508 W HA 0.313 4.974 4.660 0.001 0.000 0.260 508 W C 0.420 176.983 176.519 0.074 0.000 1.194 508 W CA 0.507 57.860 57.345 0.012 0.000 1.447 508 W CB -0.120 29.303 29.460 -0.062 0.000 1.009 508 W HN 0.784 nan 8.180 nan 0.000 0.613 509 H N -0.492 118.578 119.070 0.001 0.000 3.085 509 H HA 0.550 5.106 4.556 0.001 0.000 0.356 509 H C -1.475 173.876 175.328 0.038 0.000 1.178 509 H CA -0.136 55.853 56.048 -0.098 0.000 1.214 509 H CB 1.640 31.182 29.762 -0.367 0.000 1.881 509 H HN -0.058 nan 8.280 nan 0.000 0.538 510 A N 3.990 126.645 122.820 -0.275 0.000 2.442 510 A HA 0.394 4.715 4.320 0.001 0.000 0.284 510 A C -1.739 175.736 177.584 -0.181 0.000 1.058 510 A CA -0.610 51.428 52.037 0.002 0.000 0.738 510 A CB 1.149 20.219 19.000 0.116 0.000 1.242 510 A HN 0.635 nan 8.150 nan 0.000 0.421 511 D N 3.091 123.470 120.400 -0.035 0.000 2.469 511 D HA 0.197 4.837 4.640 0.001 0.000 0.251 511 D C 0.923 177.191 176.300 -0.052 0.000 1.173 511 D CA -0.388 53.580 54.000 -0.053 0.000 0.882 511 D CB 1.362 42.199 40.800 0.061 0.000 1.129 511 D HN 0.628 nan 8.370 nan 0.000 0.549 512 K N 2.448 122.742 120.400 -0.178 0.000 2.211 512 K HA -0.174 4.147 4.320 0.001 0.000 0.203 512 K C 1.331 177.837 176.600 -0.158 0.000 1.050 512 K CA 0.855 56.946 56.287 -0.326 0.000 0.945 512 K CB 0.283 32.335 32.500 -0.746 0.000 0.732 512 K HN 0.158 nan 8.250 nan 0.000 0.451 513 Q N 1.011 120.749 119.800 -0.103 0.000 2.062 513 Q HA 0.114 4.454 4.340 0.001 0.000 0.196 513 Q C 2.058 178.041 176.000 -0.029 0.000 0.967 513 Q CA 1.880 57.649 55.803 -0.056 0.000 0.832 513 Q CB -0.181 28.528 28.738 -0.049 0.000 0.899 513 Q HN 0.470 nan 8.270 nan 0.000 0.442 514 A N -0.129 122.682 122.820 -0.014 0.000 2.123 514 A HA 0.022 4.343 4.320 0.001 0.000 0.214 514 A C 0.622 178.211 177.584 0.009 0.000 1.152 514 A CA 0.793 52.825 52.037 -0.008 0.000 0.728 514 A CB -0.299 18.703 19.000 0.004 0.000 0.814 514 A HN 0.569 nan 8.150 nan 0.000 0.464 515 N N -1.827 116.897 118.700 0.041 0.000 2.740 515 N HA -0.152 4.589 4.740 0.001 0.000 0.248 515 N C -0.499 175.113 175.510 0.170 0.000 1.062 515 N CA 0.830 53.944 53.050 0.107 0.000 0.704 515 N CB -1.718 36.796 38.487 0.045 0.000 0.968 515 N HN 0.584 nan 8.380 nan 0.000 0.547 516 L N 0.995 122.323 121.223 0.175 0.000 2.313 516 L HA 0.589 4.930 4.340 0.001 0.000 0.283 516 L C -0.791 176.272 176.870 0.321 0.000 1.013 516 L CA -0.985 53.981 54.840 0.210 0.000 0.816 516 L CB 0.912 43.033 42.059 0.104 0.000 1.236 516 L HN 0.230 nan 8.230 nan 0.000 0.419 517 Y N 4.744 125.183 120.300 0.231 0.000 2.425 517 Y HA 0.771 5.322 4.550 0.001 0.000 0.344 517 Y C -0.815 175.265 175.900 0.300 0.000 0.969 517 Y CA -0.633 57.612 58.100 0.241 0.000 1.052 517 Y CB 1.816 40.410 38.460 0.224 0.000 1.215 517 Y HN 0.702 nan 8.280 nan 0.000 0.451 518 A N 5.937 128.471 122.820 -0.477 0.000 2.475 518 A HA 0.809 5.130 4.320 0.001 0.000 0.301 518 A C -1.886 175.544 177.584 -0.256 0.000 1.059 518 A CA -0.550 51.308 52.037 -0.298 0.000 0.710 518 A CB 0.913 19.717 19.000 -0.326 0.000 1.288 518 A HN 0.839 nan 8.150 nan 0.000 0.408 519 F N -0.387 119.541 119.950 -0.037 0.000 2.643 519 F HA 0.847 5.374 4.527 0.001 0.000 0.314 519 F C -1.254 174.659 175.800 0.188 0.000 1.096 519 F CA -1.363 56.696 58.000 0.098 0.000 0.953 519 F CB 1.269 40.361 39.000 0.154 0.000 1.345 519 F HN 0.357 nan 8.300 nan 0.000 0.468 520 V N 2.347 122.381 119.914 0.200 0.000 2.604 520 V HA 0.608 4.729 4.120 0.001 0.000 0.305 520 V C -0.635 175.541 176.094 0.136 0.000 1.043 520 V CA -0.810 61.470 62.300 -0.034 0.000 0.888 520 V CB 1.846 33.485 31.823 -0.306 0.000 0.995 520 V HN 0.695 nan 8.190 nan 0.000 0.429 521 R N 2.302 122.869 120.500 0.112 0.000 2.346 521 R HA 0.741 5.081 4.340 0.001 0.000 0.311 521 R C -0.586 175.791 176.300 0.128 0.000 0.983 521 R CA -0.393 55.791 56.100 0.141 0.000 0.880 521 R CB 1.716 32.099 30.300 0.139 0.000 1.100 521 R HN 0.741 nan 8.270 nan 0.000 0.453 522 T N 0.983 115.610 114.554 0.121 0.000 2.886 522 T HA 0.448 4.799 4.350 0.001 0.000 0.292 522 T C -1.161 173.582 174.700 0.071 0.000 1.012 522 T CA -0.604 61.590 62.100 0.156 0.000 0.982 522 T CB 2.200 71.213 68.868 0.241 0.000 1.018 522 T HN 0.252 nan 8.240 nan 0.000 0.451 523 V N 4.639 124.574 119.914 0.036 0.000 2.655 523 V HA 0.424 4.545 4.120 0.001 0.000 0.301 523 V C -0.437 175.644 176.094 -0.022 0.000 1.082 523 V CA -0.248 62.056 62.300 0.007 0.000 0.899 523 V CB 1.396 33.221 31.823 0.004 0.000 1.014 523 V HN 0.947 nan 8.190 nan 0.000 0.429 524 Q N 3.752 123.538 119.800 -0.023 0.000 1.675 524 Q HA -0.242 4.098 4.340 0.001 0.000 0.365 524 Q C 0.430 176.373 176.000 -0.095 0.000 0.856 524 Q CA 2.234 58.013 55.803 -0.039 0.000 0.832 524 Q CB -0.964 27.756 28.738 -0.030 0.000 3.604 524 Q HN 0.931 nan 8.270 nan 0.000 0.678 525 D N 1.197 121.525 120.400 -0.120 0.000 2.339 525 D HA 0.041 4.682 4.640 0.001 0.000 0.217 525 D C 0.628 176.718 176.300 -0.349 0.000 1.050 525 D CA 0.347 54.215 54.000 -0.221 0.000 0.856 525 D CB 0.112 40.831 40.800 -0.135 0.000 0.922 525 D HN 0.253 nan 8.370 nan 0.000 0.518 526 Q N 0.664 120.342 119.800 -0.202 0.000 2.288 526 Q HA 0.158 4.499 4.340 0.001 0.000 0.254 526 Q C -0.931 174.985 176.000 -0.140 0.000 0.932 526 Q CA 0.045 55.796 55.803 -0.086 0.000 0.902 526 Q CB 0.533 29.332 28.738 0.101 0.000 1.203 526 Q HN 0.219 nan 8.270 nan 0.000 0.415 527 H N 1.319 120.462 119.070 0.121 0.000 2.667 527 H HA 0.517 5.074 4.556 0.001 0.000 0.353 527 H C -1.366 174.058 175.328 0.161 0.000 1.072 527 H CA -1.039 55.057 56.048 0.079 0.000 1.214 527 H CB 2.057 31.835 29.762 0.027 0.000 1.600 527 H HN 0.339 nan 8.280 nan 0.000 0.527 528 V N 2.938 122.982 119.914 0.218 0.000 2.447 528 V HA 0.416 4.537 4.120 0.001 0.000 0.292 528 V C 0.289 176.375 176.094 -0.012 0.000 1.021 528 V CA -0.736 61.665 62.300 0.167 0.000 0.850 528 V CB 1.595 33.497 31.823 0.131 0.000 1.005 528 V HN 0.953 nan 8.190 nan 0.000 0.426 529 G N 3.564 112.328 108.800 -0.060 0.000 2.332 529 G HA2 0.584 4.544 3.960 0.001 0.000 0.310 529 G HA3 0.584 4.544 3.960 0.001 0.000 0.310 529 G C -0.857 174.020 174.900 -0.040 0.000 1.123 529 G CA -0.367 44.655 45.100 -0.130 0.000 0.873 529 G HN 0.534 nan 8.290 nan 0.000 0.460 530 V N 2.779 122.537 119.914 -0.260 0.000 2.409 530 V HA 0.394 4.515 4.120 0.001 0.000 0.291 530 V C -0.219 175.775 176.094 -0.165 0.000 1.020 530 V CA -0.683 61.426 62.300 -0.317 0.000 0.848 530 V CB 1.552 32.920 31.823 -0.758 0.000 0.990 530 V HN 0.538 nan 8.190 nan 0.000 0.430 531 V N 6.599 126.488 119.914 -0.041 0.000 2.417 531 V HA 0.520 4.641 4.120 0.001 0.000 0.291 531 V C -0.323 175.821 176.094 0.083 0.000 1.024 531 V CA -0.504 61.765 62.300 -0.051 0.000 0.861 531 V CB 1.639 33.359 31.823 -0.171 0.000 0.985 531 V HN 0.667 nan 8.190 nan 0.000 0.436 532 L N 4.131 125.464 121.223 0.183 0.000 2.316 532 L HA 0.527 4.868 4.340 0.001 0.000 0.280 532 L C -0.109 176.893 176.870 0.219 0.000 1.006 532 L CA -0.451 54.563 54.840 0.290 0.000 0.836 532 L CB 1.428 43.808 42.059 0.536 0.000 1.221 532 L HN 0.551 nan 8.230 nan 0.000 0.418 533 N N 2.324 121.107 118.700 0.139 0.000 2.645 533 N HA 0.053 4.794 4.740 0.001 0.000 0.233 533 N C -0.155 175.386 175.510 0.053 0.000 1.058 533 N CA -0.137 52.947 53.050 0.056 0.000 0.942 533 N CB 0.320 38.797 38.487 -0.016 0.000 1.210 533 N HN 0.415 nan 8.380 nan 0.000 0.512 534 N N 2.741 121.473 118.700 0.053 0.000 3.331 534 N HA 0.172 4.913 4.740 0.001 0.000 0.303 534 N C -1.163 174.293 175.510 -0.090 0.000 1.326 534 N CA -0.093 52.962 53.050 0.008 0.000 1.207 534 N CB -0.150 38.098 38.487 -0.399 0.000 1.477 534 N HN 0.336 nan 8.380 nan 0.000 0.541 535 R N -0.310 120.001 120.500 -0.315 0.000 2.604 535 R HA 0.359 4.700 4.340 0.001 0.000 0.270 535 R C 0.199 175.917 176.300 -0.969 0.000 1.052 535 R CA -0.625 55.217 56.100 -0.430 0.000 0.902 535 R CB 1.130 31.293 30.300 -0.228 0.000 1.233 535 R HN 0.303 nan 8.270 nan 0.000 0.455 536 G N 2.007 110.349 108.800 -0.762 0.000 3.295 536 G HA2 0.031 3.992 3.960 0.001 0.000 0.231 536 G HA3 0.031 3.992 3.960 0.001 0.000 0.231 536 G C -0.040 174.672 174.900 -0.313 0.000 1.277 536 G CA 0.267 44.990 45.100 -0.629 0.000 1.013 536 G HN 0.316 nan 8.290 nan 0.000 0.509 537 E N -0.134 119.884 120.200 -0.303 0.000 2.343 537 E HA 0.244 4.595 4.350 0.001 0.000 0.270 537 E C -0.775 175.732 176.600 -0.155 0.000 0.895 537 E CA -0.837 55.460 56.400 -0.172 0.000 0.767 537 E CB 2.125 31.750 29.700 -0.124 0.000 1.248 537 E HN 0.107 nan 8.360 nan 0.000 0.440 538 K N 2.156 122.494 120.400 -0.103 0.000 2.383 538 K HA 0.110 4.431 4.320 0.001 0.000 0.286 538 K C -0.526 176.028 176.600 -0.076 0.000 1.051 538 K CA 0.316 56.554 56.287 -0.081 0.000 0.974 538 K CB 0.506 32.973 32.500 -0.055 0.000 0.968 538 K HN 0.367 nan 8.250 nan 0.000 0.475 539 Q N 1.905 121.659 119.800 -0.077 0.000 2.423 539 Q HA 0.323 4.663 4.340 0.001 0.000 0.278 539 Q C -1.216 174.741 176.000 -0.071 0.000 1.097 539 Q CA -0.978 54.782 55.803 -0.071 0.000 0.809 539 Q CB 2.685 31.378 28.738 -0.075 0.000 1.391 539 Q HN 0.524 nan 8.270 nan 0.000 0.428 540 T N 1.215 115.728 114.554 -0.069 0.000 2.823 540 T HA 0.616 4.967 4.350 0.001 0.000 0.279 540 T C -0.688 173.952 174.700 -0.100 0.000 0.998 540 T CA -0.629 61.424 62.100 -0.078 0.000 0.994 540 T CB 1.165 69.998 68.868 -0.059 0.000 0.960 540 T HN 0.441 nan 8.240 nan 0.000 0.448 541 V N 1.233 121.059 119.914 -0.148 0.000 3.007 541 V HA 0.726 4.847 4.120 0.001 0.000 0.311 541 V C -1.239 174.707 176.094 -0.247 0.000 1.120 541 V CA -1.215 60.956 62.300 -0.214 0.000 0.980 541 V CB 1.916 33.538 31.823 -0.336 0.000 1.033 541 V HN 0.790 nan 8.190 nan 0.000 0.429 542 L N 3.852 124.928 121.223 -0.246 0.000 2.294 542 L HA 0.578 4.919 4.340 0.001 0.000 0.283 542 L C -0.638 176.056 176.870 -0.292 0.000 1.015 542 L CA -0.366 54.354 54.840 -0.200 0.000 0.831 542 L CB 1.446 43.452 42.059 -0.089 0.000 1.217 542 L HN 0.569 nan 8.230 nan 0.000 0.420 543 L N 3.374 124.392 121.223 -0.341 0.000 2.334 543 L HA 0.430 4.771 4.340 0.001 0.000 0.275 543 L C -0.164 176.673 176.870 -0.054 0.000 1.036 543 L CA -1.000 53.607 54.840 -0.388 0.000 0.807 543 L CB 1.380 42.965 42.059 -0.790 0.000 1.231 543 L HN 0.477 nan 8.230 nan 0.000 0.438 544 Q N 2.680 122.548 119.800 0.113 0.000 2.267 544 Q HA 0.366 4.707 4.340 0.001 0.000 0.255 544 Q C -0.475 175.716 176.000 0.318 0.000 0.923 544 Q CA -0.293 55.629 55.803 0.199 0.000 0.925 544 Q CB 1.955 30.805 28.738 0.188 0.000 1.195 544 Q HN 0.506 nan 8.270 nan 0.000 0.417 545 V N -0.210 119.842 119.914 0.230 0.000 2.658 545 V HA 0.337 4.458 4.120 0.001 0.000 0.259 545 V C -2.521 173.699 176.094 0.210 0.000 0.933 545 V CA -2.014 60.432 62.300 0.244 0.000 0.871 545 V CB 1.142 33.164 31.823 0.332 0.000 1.062 545 V HN 0.535 nan 8.190 nan 0.000 0.479 546 P HA 0.140 nan 4.420 nan 0.000 0.263 546 P C 0.918 178.287 177.300 0.114 0.000 1.195 546 P CA 0.367 63.532 63.100 0.109 0.000 0.762 546 P CB 1.079 32.825 31.700 0.077 0.000 0.799 547 E N 1.830 122.087 120.200 0.096 0.000 2.301 547 E HA -0.219 4.131 4.350 0.001 0.000 0.202 547 E C 1.834 178.457 176.600 0.039 0.000 1.017 547 E CA 1.816 58.254 56.400 0.064 0.000 0.831 547 E CB -0.222 29.500 29.700 0.038 0.000 0.742 547 E HN 0.612 nan 8.360 nan 0.000 0.491 548 S N 0.059 115.788 115.700 0.049 0.000 2.400 548 S HA -0.112 4.359 4.470 0.001 0.000 0.232 548 S C 2.044 176.686 174.600 0.069 0.000 1.025 548 S CA 1.077 59.304 58.200 0.045 0.000 0.993 548 S CB -0.382 62.848 63.200 0.050 0.000 0.808 548 S HN 0.317 nan 8.310 nan 0.000 0.478 549 G N 0.463 109.325 108.800 0.103 0.000 2.880 549 G HA2 0.505 4.466 3.960 0.001 0.000 0.209 549 G HA3 0.505 4.466 3.960 0.001 0.000 0.209 549 G C 0.652 175.628 174.900 0.127 0.000 1.157 549 G CA 0.040 45.258 45.100 0.196 0.000 0.779 549 G HN 1.234 nan 8.290 nan 0.000 0.539 550 G N -0.103 108.687 108.800 -0.017 0.000 2.392 550 G HA2 0.143 4.104 3.960 0.001 0.000 0.677 550 G HA3 0.143 4.104 3.960 0.001 0.000 0.677 550 G C 0.066 174.716 174.900 -0.417 0.000 1.334 550 G CA -0.063 44.873 45.100 -0.274 0.000 0.961 550 G HN 0.619 nan 8.290 nan 0.000 0.616 551 K N -1.574 118.461 120.400 -0.609 0.000 2.477 551 K HA 0.454 4.775 4.320 0.001 0.000 0.208 551 K C 0.193 176.403 176.600 -0.650 0.000 1.117 551 K CA 0.072 56.071 56.287 -0.480 0.000 1.039 551 K CB 1.323 33.746 32.500 -0.128 0.000 0.937 551 K HN 0.480 nan 8.250 nan 0.000 0.570 552 T N 1.198 115.125 114.554 -1.045 0.000 2.916 552 T HA 0.439 4.790 4.350 0.001 0.000 0.298 552 T C -1.656 172.483 174.700 -0.935 0.000 1.031 552 T CA -0.589 61.115 62.100 -0.659 0.000 0.993 552 T CB 1.398 70.093 68.868 -0.290 0.000 1.045 552 T HN 0.170 nan 8.240 nan 0.000 0.454 553 W N 2.138 123.352 121.300 -0.143 0.000 3.031 553 W HA 0.670 5.330 4.660 0.001 0.000 0.337 553 W C -1.334 175.132 176.519 -0.090 0.000 1.187 553 W CA -0.876 56.404 57.345 -0.108 0.000 1.166 553 W CB 2.024 31.466 29.460 -0.029 0.000 1.437 553 W HN 0.373 nan 8.180 nan 0.000 0.551 554 L N 2.496 123.847 121.223 0.212 0.000 2.356 554 L HA 0.323 4.663 4.340 0.001 0.000 0.277 554 L C -0.320 176.684 176.870 0.224 0.000 0.996 554 L CA -0.077 54.872 54.840 0.181 0.000 0.822 554 L CB 1.072 43.251 42.059 0.200 0.000 1.256 554 L HN 0.205 nan 8.230 nan 0.000 0.413 555 D N 3.592 124.086 120.400 0.156 0.000 2.359 555 D HA 0.067 4.708 4.640 0.001 0.000 0.250 555 D C 0.904 177.279 176.300 0.126 0.000 1.264 555 D CA -0.021 54.059 54.000 0.132 0.000 0.911 555 D CB 0.864 41.719 40.800 0.092 0.000 1.056 555 D HN 0.728 nan 8.370 nan 0.000 0.499 556 C N 3.549 122.929 119.300 0.133 0.000 2.409 556 C HA -0.083 4.378 4.460 0.001 0.000 0.288 556 C C 2.554 177.578 174.990 0.057 0.000 1.395 556 C CA 0.163 59.236 59.018 0.092 0.000 1.792 556 C CB -0.930 26.840 27.740 0.050 0.000 1.847 556 C HN 0.680 nan 8.230 nan 0.000 0.534 557 L N 0.423 121.685 121.223 0.065 0.000 2.249 557 L HA -0.009 4.332 4.340 0.001 0.000 0.207 557 L C 2.601 179.519 176.870 0.079 0.000 1.090 557 L CA 1.818 56.700 54.840 0.069 0.000 0.802 557 L CB -0.429 41.688 42.059 0.096 0.000 0.947 557 L HN 0.506 nan 8.230 nan 0.000 0.453 558 T N -5.800 108.800 114.554 0.078 0.000 2.959 558 T HA 0.285 4.636 4.350 0.001 0.000 0.254 558 T C 1.423 176.163 174.700 0.067 0.000 1.003 558 T CA 0.551 62.693 62.100 0.071 0.000 0.950 558 T CB 1.090 69.999 68.868 0.067 0.000 1.090 558 T HN 0.310 nan 8.240 nan 0.000 0.503 559 G N 1.604 110.450 108.800 0.076 0.000 2.199 559 G HA2 -0.276 3.685 3.960 0.001 0.000 0.254 559 G HA3 -0.276 3.685 3.960 0.001 0.000 0.254 559 G C -0.107 174.835 174.900 0.070 0.000 0.982 559 G CA 0.294 45.440 45.100 0.076 0.000 0.632 559 G HN 0.912 nan 8.290 nan 0.000 0.529 560 E N 0.829 121.068 120.200 0.064 0.000 2.415 560 E HA 0.344 4.695 4.350 0.001 0.000 0.262 560 E C -0.078 176.548 176.600 0.044 0.000 1.038 560 E CA -0.006 56.425 56.400 0.052 0.000 0.921 560 E CB 0.294 30.022 29.700 0.047 0.000 0.950 560 E HN 0.415 nan 8.360 nan 0.000 0.438 561 E N 3.334 123.543 120.200 0.014 0.000 2.145 561 E HA 0.283 4.634 4.350 0.001 0.000 0.270 561 E C -0.997 175.490 176.600 -0.188 0.000 0.906 561 E CA -0.845 55.517 56.400 -0.063 0.000 0.761 561 E CB 1.443 31.117 29.700 -0.043 0.000 1.116 561 E HN 0.402 nan 8.360 nan 0.000 0.408 562 V N 1.643 121.441 119.914 -0.192 0.000 2.769 562 V HA 0.605 4.726 4.120 0.001 0.000 0.312 562 V C -0.686 175.229 176.094 -0.299 0.000 1.058 562 V CA -0.632 61.576 62.300 -0.153 0.000 0.952 562 V CB 1.822 33.685 31.823 0.068 0.000 1.019 562 V HN 0.650 nan 8.190 nan 0.000 0.445 563 H N 1.747 120.960 119.070 0.239 0.000 2.679 563 H HA 0.624 5.180 4.556 0.001 0.000 0.360 563 H C 0.122 175.626 175.328 0.293 0.000 1.105 563 H CA -0.018 56.169 56.048 0.231 0.000 1.196 563 H CB 2.274 32.097 29.762 0.102 0.000 1.636 563 H HN 1.128 nan 8.280 nan 0.000 0.531 564 G N 2.363 111.469 108.800 0.510 0.000 2.338 564 G HA2 0.310 4.270 3.960 0.001 0.000 0.298 564 G HA3 0.310 4.270 3.960 0.001 0.000 0.298 564 G C -0.162 174.879 174.900 0.236 0.000 1.140 564 G CA -0.723 44.625 45.100 0.414 0.000 0.860 564 G HN 0.471 nan 8.290 nan 0.000 0.470 565 K N 2.537 123.037 120.400 0.166 0.000 2.339 565 K HA 0.306 4.627 4.320 0.001 0.000 0.264 565 K C -0.084 176.570 176.600 0.090 0.000 0.986 565 K CA -0.588 55.763 56.287 0.107 0.000 0.866 565 K CB 1.371 33.919 32.500 0.080 0.000 1.103 565 K HN 0.703 nan 8.250 nan 0.000 0.441 566 Q N 1.701 121.547 119.800 0.077 0.000 2.463 566 Q HA -0.212 4.129 4.340 0.001 0.000 0.299 566 Q C 0.461 176.510 176.000 0.082 0.000 1.353 566 Q CA 0.793 56.636 55.803 0.066 0.000 0.828 566 Q CB -2.073 26.695 28.738 0.050 0.000 1.157 566 Q HN 1.267 nan 8.270 nan 0.000 0.436 567 G N -0.438 108.427 108.800 0.110 0.000 2.168 567 G HA2 -0.337 3.623 3.960 0.001 0.000 0.257 567 G HA3 -0.337 3.623 3.960 0.001 0.000 0.257 567 G C -0.103 174.878 174.900 0.135 0.000 0.997 567 G CA 0.804 45.982 45.100 0.130 0.000 0.708 567 G HN 0.429 nan 8.290 nan 0.000 0.520 568 Q N -1.363 118.514 119.800 0.128 0.000 2.372 568 Q HA 0.709 5.049 4.340 0.001 0.000 0.273 568 Q C -1.218 174.838 176.000 0.093 0.000 1.078 568 Q CA -1.046 54.813 55.803 0.092 0.000 0.806 568 Q CB 2.531 31.302 28.738 0.055 0.000 1.332 568 Q HN 0.283 nan 8.270 nan 0.000 0.435 569 L N 2.439 123.676 121.223 0.023 0.000 2.342 569 L HA 0.406 4.747 4.340 0.001 0.000 0.276 569 L C -1.102 175.710 176.870 -0.096 0.000 0.997 569 L CA -0.212 54.615 54.840 -0.022 0.000 0.838 569 L CB 1.307 43.281 42.059 -0.141 0.000 1.224 569 L HN 0.441 nan 8.230 nan 0.000 0.416 570 K N 4.644 125.016 120.400 -0.047 0.000 2.276 570 K HA 0.568 4.889 4.320 0.001 0.000 0.285 570 K C -1.538 175.013 176.600 -0.083 0.000 1.062 570 K CA -0.487 55.758 56.287 -0.070 0.000 0.918 570 K CB 0.677 33.161 32.500 -0.026 0.000 1.055 570 K HN 0.526 nan 8.250 nan 0.000 0.477 571 L N 3.167 124.313 121.223 -0.129 0.000 2.408 571 L HA 0.403 4.743 4.340 0.001 0.000 0.268 571 L C -0.748 176.060 176.870 -0.103 0.000 0.986 571 L CA -0.308 54.460 54.840 -0.121 0.000 0.820 571 L CB 2.302 44.250 42.059 -0.185 0.000 1.303 571 L HN 0.635 nan 8.230 nan 0.000 0.411 572 T N 4.418 118.930 114.554 -0.069 0.000 2.815 572 T HA 0.629 4.980 4.350 0.001 0.000 0.289 572 T C -0.583 174.088 174.700 -0.049 0.000 1.000 572 T CA -0.459 61.606 62.100 -0.057 0.000 0.958 572 T CB 0.801 69.647 68.868 -0.037 0.000 0.944 572 T HN 0.133 nan 8.240 nan 0.000 0.442 573 L N 3.043 124.232 121.223 -0.056 0.000 2.325 573 L HA 0.572 4.913 4.340 0.001 0.000 0.278 573 L C 0.822 177.665 176.870 -0.044 0.000 1.023 573 L CA -0.772 54.043 54.840 -0.042 0.000 0.811 573 L CB 1.635 43.667 42.059 -0.045 0.000 1.249 573 L HN 0.490 nan 8.230 nan 0.000 0.431 574 R N 1.847 122.331 120.500 -0.027 0.000 2.649 574 R HA 0.291 4.632 4.340 0.001 0.000 0.270 574 R C -2.179 174.083 176.300 -0.063 0.000 1.105 574 R CA -1.538 54.542 56.100 -0.034 0.000 1.193 574 R CB 0.145 30.442 30.300 -0.006 0.000 1.120 574 R HN 0.344 nan 8.270 nan 0.000 0.561 575 P HA -0.106 nan 4.420 nan 0.000 0.261 575 P C -1.031 176.199 177.300 -0.116 0.000 1.183 575 P CA 0.861 63.819 63.100 -0.236 0.000 0.761 575 P CB 0.004 31.593 31.700 -0.185 0.000 0.785 576 Y N -0.662 119.637 120.300 -0.001 0.000 4.079 576 Y HA -0.292 4.259 4.550 0.001 0.000 0.223 576 Y C 0.943 176.859 175.900 0.028 0.000 1.155 576 Y CA 0.254 58.362 58.100 0.014 0.000 1.805 576 Y CB -1.949 36.512 38.460 0.003 0.000 1.571 576 Y HN 0.445 nan 8.280 nan 0.000 0.654 577 Q N 1.196 121.059 119.800 0.105 0.000 2.259 577 Q HA 0.584 4.925 4.340 0.001 0.000 0.249 577 Q C 0.442 176.511 176.000 0.116 0.000 0.914 577 Q CA 0.093 55.953 55.803 0.096 0.000 0.904 577 Q CB 1.415 30.183 28.738 0.050 0.000 1.213 577 Q HN 0.366 nan 8.270 nan 0.000 0.428 578 G N 3.397 112.279 108.800 0.136 0.000 2.513 578 G HA2 0.620 4.581 3.960 0.001 0.000 0.317 578 G HA3 0.620 4.581 3.960 0.001 0.000 0.317 578 G C -1.064 173.906 174.900 0.116 0.000 1.277 578 G CA -0.730 44.460 45.100 0.150 0.000 0.955 578 G HN 0.618 nan 8.290 nan 0.000 0.484 579 M N 1.520 121.169 119.600 0.081 0.000 2.535 579 M HA 0.498 4.979 4.480 0.001 0.000 0.314 579 M C -0.790 175.542 176.300 0.054 0.000 1.153 579 M CA -0.562 54.775 55.300 0.061 0.000 0.924 579 M CB 2.889 35.505 32.600 0.027 0.000 1.710 579 M HN 0.232 nan 8.290 nan 0.000 0.451 580 I N 4.017 124.625 120.570 0.063 0.000 2.502 580 I HA 0.241 4.411 4.170 0.001 0.000 0.276 580 I C -1.229 174.955 176.117 0.112 0.000 1.057 580 I CA -0.746 60.587 61.300 0.056 0.000 1.163 580 I CB 0.919 38.941 38.000 0.036 0.000 1.288 580 I HN 0.373 nan 8.210 nan 0.000 0.479 581 L N 5.620 126.916 121.223 0.122 0.000 2.283 581 L HA 0.224 4.565 4.340 0.001 0.000 0.287 581 L C -0.512 176.568 176.870 0.351 0.000 1.073 581 L CA -0.121 54.843 54.840 0.208 0.000 0.822 581 L CB 0.119 42.229 42.059 0.086 0.000 1.186 581 L HN 0.483 nan 8.230 nan 0.000 0.436 582 W N 5.254 126.669 121.300 0.191 0.000 2.361 582 W HA 0.283 4.944 4.660 0.001 0.000 0.309 582 W C 1.175 177.823 176.519 0.216 0.000 1.122 582 W CA -0.974 56.471 57.345 0.167 0.000 1.208 582 W CB 0.766 30.272 29.460 0.077 0.000 1.246 582 W HN 0.708 nan 8.180 nan 0.000 0.490 583 N N 4.050 122.667 118.700 -0.139 0.000 2.434 583 N HA 0.044 4.785 4.740 0.001 0.000 0.196 583 N C 1.250 176.208 175.510 -0.921 0.000 1.183 583 N CA 0.794 53.566 53.050 -0.464 0.000 0.849 583 N CB -0.268 38.128 38.487 -0.152 0.000 0.992 583 N HN 0.964 nan 8.380 nan 0.000 0.460 584 G N -0.005 107.614 108.800 -1.969 0.000 2.184 584 G HA2 -0.348 3.613 3.960 0.001 0.000 0.264 584 G HA3 -0.348 3.613 3.960 0.001 0.000 0.264 584 G C 0.251 174.595 174.900 -0.926 0.000 0.975 584 G CA 0.544 44.399 45.100 -2.075 0.000 0.642 584 G HN 0.552 nan 8.290 nan 0.000 0.536 585 R N 0.000 120.237 120.500 -0.439 0.000 2.786 585 R HA 0.000 4.341 4.340 0.001 0.000 0.208 585 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 585 R CB 0.000 30.223 30.300 -0.128 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535