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 1vfo_1_B 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 GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH NTERFLTSCG 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 0.000 176.212 176.300 -0.147 0.000 1.140 1 M CA 0.000 55.234 55.300 -0.111 0.000 0.988 1 M CB 0.000 32.526 32.600 -0.124 0.000 1.302 2 L N 3.348 124.487 121.223 -0.140 0.000 2.375 2 L HA 0.387 4.726 4.340 -0.001 0.000 0.276 2 L C 0.423 177.156 176.870 -0.228 0.000 1.162 2 L CA -0.021 54.728 54.840 -0.151 0.000 0.991 2 L CB 0.186 42.185 42.059 -0.101 0.000 1.315 2 L HN 0.895 nan 8.230 nan 0.000 0.431 3 L N 1.810 122.807 121.223 -0.376 0.000 2.129 3 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 3 L C 1.567 178.182 176.870 -0.424 0.000 1.087 3 L CA 1.101 55.510 54.840 -0.719 0.000 0.757 3 L CB -0.360 40.994 42.059 -1.175 0.000 0.896 3 L HN 0.581 nan 8.230 nan 0.000 0.434 4 E N 0.196 120.282 120.200 -0.191 0.000 2.515 4 E HA -0.096 4.254 4.350 -0.001 0.000 0.201 4 E C 1.652 178.269 176.600 0.029 0.000 1.071 4 E CA 0.828 57.213 56.400 -0.025 0.000 0.880 4 E CB -0.064 29.633 29.700 -0.004 0.000 0.828 4 E HN 0.452 nan 8.360 nan 0.000 0.540 5 A N 0.030 122.850 122.820 -0.000 0.000 2.390 5 A HA 0.249 4.568 4.320 -0.001 0.000 0.232 5 A C 0.518 178.177 177.584 0.125 0.000 1.233 5 A CA -0.337 51.766 52.037 0.109 0.000 0.907 5 A CB 0.205 19.265 19.000 0.101 0.000 0.967 5 A HN 0.085 nan 8.150 nan 0.000 0.512 6 I N 0.153 120.736 120.570 0.023 0.000 2.428 6 I HA 0.399 4.569 4.170 -0.001 0.000 0.289 6 I C -0.533 175.640 176.117 0.093 0.000 1.019 6 I CA -0.276 61.010 61.300 -0.023 0.000 1.351 6 I CB 1.133 38.996 38.000 -0.228 0.000 1.412 6 I HN 0.292 nan 8.210 nan 0.000 0.513 7 F N 5.983 125.892 119.950 -0.070 0.000 2.588 7 F HA 0.629 5.156 4.527 -0.001 0.000 0.310 7 F C -0.778 175.027 175.800 0.010 0.000 1.082 7 F CA -0.430 57.547 58.000 -0.038 0.000 0.929 7 F CB 1.596 40.459 39.000 -0.227 0.000 1.254 7 F HN 0.514 nan 8.300 nan 0.000 0.455 8 H N 2.218 120.445 119.070 -1.405 0.000 3.081 8 H HA 0.444 5.000 4.556 -0.001 0.000 0.322 8 H C -2.037 172.616 175.328 -1.125 0.000 1.266 8 H CA -0.539 54.834 56.048 -1.124 0.000 1.279 8 H CB 1.595 30.969 29.762 -0.647 0.000 1.954 8 H HN 0.686 nan 8.280 nan 0.000 0.530 9 E N 2.609 121.925 120.200 -1.473 0.000 2.343 9 E HA 0.623 4.973 4.350 -0.001 0.000 0.278 9 E C -1.274 174.921 176.600 -0.675 0.000 0.910 9 E CA -1.208 54.745 56.400 -0.745 0.000 0.757 9 E CB 2.098 31.633 29.700 -0.274 0.000 1.218 9 E HN 0.623 nan 8.360 nan 0.000 0.435 10 A N 3.269 125.972 122.820 -0.194 0.000 3.077 10 A HA 0.308 4.628 4.320 -0.001 0.000 0.255 10 A C -0.179 177.561 177.584 0.260 0.000 1.728 10 A CA 0.422 52.546 52.037 0.144 0.000 1.383 10 A CB -1.038 18.154 19.000 0.321 0.000 1.097 10 A HN 0.663 nan 8.150 nan 0.000 0.634 11 K N -2.288 118.242 120.400 0.218 0.000 3.910 11 K HA 0.557 4.877 4.320 -0.001 0.000 0.469 11 K C 0.719 177.486 176.600 0.279 0.000 1.006 11 K CA -0.518 55.947 56.287 0.298 0.000 0.819 11 K CB -0.635 31.978 32.500 0.189 0.000 1.548 11 K HN 1.509 nan 8.250 nan 0.000 0.603 12 G N 0.730 109.682 108.800 0.252 0.000 2.629 12 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.313 12 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.313 12 G C 0.437 175.529 174.900 0.320 0.000 1.217 12 G CA 1.068 46.319 45.100 0.250 0.000 0.994 12 G HN 1.548 nan 8.290 nan 0.000 0.549 13 S N -0.845 115.062 115.700 0.345 0.000 2.588 13 S HA 0.572 5.041 4.470 -0.001 0.000 0.245 13 S C 0.577 175.222 174.600 0.076 0.000 1.021 13 S CA 0.450 58.829 58.200 0.299 0.000 1.006 13 S CB 0.322 63.616 63.200 0.157 0.000 0.830 13 S HN 0.589 nan 8.310 nan 0.000 0.468 14 Y N 1.269 121.717 120.300 0.247 0.000 2.432 14 Y HA 0.627 5.176 4.550 -0.001 0.000 0.252 14 Y C 0.790 176.719 175.900 0.049 0.000 1.097 14 Y CA -0.202 57.975 58.100 0.129 0.000 1.250 14 Y CB 1.022 39.502 38.460 0.033 0.000 1.245 14 Y HN 0.475 nan 8.280 nan 0.000 0.522 15 A N 0.376 123.273 122.820 0.129 0.000 2.541 15 A HA 0.612 4.931 4.320 -0.001 0.000 0.285 15 A C -1.890 175.696 177.584 0.004 0.000 1.058 15 A CA -0.514 51.511 52.037 -0.021 0.000 0.886 15 A CB -0.285 18.815 19.000 0.166 0.000 1.411 15 A HN 0.226 nan 8.150 nan 0.000 0.403 16 Y N 0.804 121.013 120.300 -0.152 0.000 2.552 16 Y HA 0.877 5.426 4.550 -0.001 0.000 0.337 16 Y C -3.293 172.478 175.900 -0.215 0.000 1.094 16 Y CA -3.108 54.916 58.100 -0.127 0.000 1.028 16 Y CB 1.317 39.797 38.460 0.033 0.000 1.321 16 Y HN 0.350 nan 8.280 nan 0.000 0.456 17 P HA 0.264 nan 4.420 nan 0.000 0.282 17 P C 0.138 177.531 177.300 0.156 0.000 1.249 17 P CA -0.313 62.791 63.100 0.005 0.000 0.806 17 P CB 2.246 33.953 31.700 0.012 0.000 0.984 18 I N -0.401 120.206 120.570 0.062 0.000 4.070 18 I HA 0.209 4.379 4.170 -0.001 0.000 0.328 18 I C 0.614 176.755 176.117 0.039 0.000 1.298 18 I CA 0.129 61.477 61.300 0.080 0.000 1.173 18 I CB -0.091 37.934 38.000 0.043 0.000 1.051 18 I HN 0.342 nan 8.210 nan 0.000 0.409 19 S N -0.847 114.864 115.700 0.018 0.000 2.843 19 S HA 0.408 4.878 4.470 -0.001 0.000 0.301 19 S C 0.433 175.040 174.600 0.012 0.000 1.206 19 S CA -0.379 57.829 58.200 0.014 0.000 0.875 19 S CB 1.018 64.216 63.200 -0.005 0.000 1.248 19 S HN 0.175 nan 8.310 nan 0.000 0.555 20 E N 0.132 120.336 120.200 0.007 0.000 2.442 20 E HA 0.071 4.420 4.350 -0.001 0.000 0.195 20 E C 0.662 177.238 176.600 -0.041 0.000 1.030 20 E CA 1.167 57.567 56.400 0.001 0.000 0.869 20 E CB 0.146 29.855 29.700 0.015 0.000 0.857 20 E HN 0.780 nan 8.360 nan 0.000 0.505 21 T N -2.697 111.831 114.554 -0.043 0.000 3.170 21 T HA 0.267 4.616 4.350 -0.001 0.000 0.288 21 T C 0.110 174.769 174.700 -0.069 0.000 0.992 21 T CA -0.533 61.531 62.100 -0.058 0.000 0.909 21 T CB 0.414 69.259 68.868 -0.038 0.000 1.133 21 T HN -0.109 nan 8.240 nan 0.000 0.530 22 Q N 1.125 120.877 119.800 -0.081 0.000 2.292 22 Q HA 0.654 4.994 4.340 -0.001 0.000 0.270 22 Q C -1.932 173.965 176.000 -0.171 0.000 1.024 22 Q CA -0.876 54.858 55.803 -0.114 0.000 0.768 22 Q CB 2.831 31.520 28.738 -0.081 0.000 1.250 22 Q HN 0.260 nan 8.270 nan 0.000 0.447 23 L N 2.416 123.480 121.223 -0.265 0.000 2.322 23 L HA 0.565 4.905 4.340 -0.001 0.000 0.281 23 L C -0.960 175.658 176.870 -0.419 0.000 1.014 23 L CA -0.415 54.196 54.840 -0.383 0.000 0.815 23 L CB 1.358 43.122 42.059 -0.492 0.000 1.247 23 L HN 0.455 nan 8.230 nan 0.000 0.421 24 R N 3.744 123.956 120.500 -0.480 0.000 2.368 24 R HA 0.760 5.100 4.340 -0.001 0.000 0.302 24 R C -1.443 174.529 176.300 -0.546 0.000 1.002 24 R CA -0.382 55.403 56.100 -0.524 0.000 0.929 24 R CB 1.227 31.097 30.300 -0.717 0.000 1.073 24 R HN 0.529 nan 8.270 nan 0.000 0.464 25 V N 0.974 120.673 119.914 -0.359 0.000 2.789 25 V HA 0.734 4.853 4.120 -0.001 0.000 0.311 25 V C -0.741 175.358 176.094 0.008 0.000 1.073 25 V CA -1.004 61.199 62.300 -0.162 0.000 0.921 25 V CB 2.218 33.907 31.823 -0.223 0.000 1.009 25 V HN 0.784 nan 8.190 nan 0.000 0.426 26 R N 2.778 123.394 120.500 0.194 0.000 2.686 26 R HA 0.807 5.146 4.340 -0.001 0.000 0.286 26 R C -1.561 175.046 176.300 0.511 0.000 0.969 26 R CA -0.708 55.550 56.100 0.263 0.000 0.898 26 R CB 2.606 32.930 30.300 0.040 0.000 1.183 26 R HN 0.871 nan 8.270 nan 0.000 0.456 27 L N 1.975 123.437 121.223 0.397 0.000 2.410 27 L HA 0.556 4.895 4.340 -0.001 0.000 0.270 27 L C -0.959 176.127 176.870 0.361 0.000 0.983 27 L CA -0.717 54.285 54.840 0.269 0.000 0.822 27 L CB 1.781 43.765 42.059 -0.125 0.000 1.285 27 L HN 0.532 nan 8.230 nan 0.000 0.409 28 R N 4.282 124.940 120.500 0.264 0.000 2.445 28 R HA 0.874 5.213 4.340 -0.001 0.000 0.308 28 R C -1.529 174.814 176.300 0.071 0.000 0.961 28 R CA -0.196 55.931 56.100 0.044 0.000 0.862 28 R CB 1.767 32.010 30.300 -0.096 0.000 1.144 28 R HN 0.766 nan 8.270 nan 0.000 0.447 29 A N 3.736 126.644 122.820 0.146 0.000 2.566 29 A HA 0.341 4.660 4.320 -0.001 0.000 0.292 29 A C -1.238 176.515 177.584 0.281 0.000 1.112 29 A CA -0.893 51.261 52.037 0.196 0.000 0.707 29 A CB 1.389 20.468 19.000 0.131 0.000 1.302 29 A HN 0.766 nan 8.150 nan 0.000 0.409 30 K N 1.173 121.666 120.400 0.155 0.000 2.484 30 K HA 0.023 4.342 4.320 -0.001 0.000 0.280 30 K C 0.074 176.659 176.600 -0.025 0.000 1.013 30 K CA 0.080 56.341 56.287 -0.043 0.000 1.029 30 K CB 0.289 32.731 32.500 -0.097 0.000 0.902 30 K HN 0.625 nan 8.250 nan 0.000 0.481 31 K N 2.976 123.317 120.400 -0.099 0.000 2.437 31 K HA -0.101 4.218 4.320 -0.001 0.000 0.277 31 K C 0.649 177.240 176.600 -0.015 0.000 1.073 31 K CA 1.252 57.518 56.287 -0.035 0.000 1.105 31 K CB -0.202 32.254 32.500 -0.073 0.000 0.881 31 K HN 0.895 nan 8.250 nan 0.000 0.475 32 G N 3.985 112.808 108.800 0.038 0.000 2.279 32 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.223 32 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.223 32 G C 0.651 175.572 174.900 0.034 0.000 1.015 32 G CA 0.209 45.329 45.100 0.033 0.000 0.621 32 G HN 0.714 nan 8.290 nan 0.000 0.506 33 D N 0.338 120.750 120.400 0.020 0.000 2.144 33 D HA 0.103 4.743 4.640 -0.001 0.000 0.199 33 D C 1.363 177.659 176.300 -0.005 0.000 0.984 33 D CA 1.495 55.490 54.000 -0.008 0.000 0.834 33 D CB 0.069 40.845 40.800 -0.039 0.000 0.955 33 D HN 0.426 nan 8.370 nan 0.000 0.465 34 V N 1.043 120.980 119.914 0.038 0.000 2.459 34 V HA 0.209 4.328 4.120 -0.001 0.000 0.295 34 V C 1.120 177.263 176.094 0.083 0.000 1.029 34 V CA -0.489 61.794 62.300 -0.028 0.000 0.874 34 V CB 2.181 33.868 31.823 -0.225 0.000 0.985 34 V HN 0.010 nan 8.190 nan 0.000 0.438 35 V N 1.840 121.768 119.914 0.024 0.000 3.477 35 V HA 0.531 4.651 4.120 -0.001 0.000 0.297 35 V C 0.456 176.601 176.094 0.085 0.000 1.433 35 V CA 0.136 62.495 62.300 0.100 0.000 1.052 35 V CB -0.016 31.845 31.823 0.064 0.000 0.895 35 V HN 0.806 nan 8.190 nan 0.000 0.438 36 R N -0.219 120.262 120.500 -0.031 0.000 2.523 36 R HA 0.536 4.875 4.340 -0.001 0.000 0.278 36 R C -2.143 174.065 176.300 -0.153 0.000 1.150 36 R CA -0.155 55.930 56.100 -0.025 0.000 0.987 36 R CB 1.598 31.902 30.300 0.006 0.000 1.232 36 R HN 0.339 nan 8.270 nan 0.000 0.424 37 C N 3.903 123.104 119.300 -0.164 0.000 2.319 37 C HA 0.582 5.041 4.460 -0.001 0.000 0.323 37 C C -0.447 174.565 174.990 0.037 0.000 1.277 37 C CA -0.174 58.740 59.018 -0.173 0.000 1.517 37 C CB 0.940 28.435 27.740 -0.408 0.000 2.206 37 C HN 0.977 nan 8.230 nan 0.000 0.486 38 E N 3.764 124.011 120.200 0.079 0.000 2.266 38 E HA 0.717 5.066 4.350 -0.001 0.000 0.268 38 E C -1.604 175.059 176.600 0.104 0.000 0.879 38 E CA -0.518 55.944 56.400 0.104 0.000 0.762 38 E CB 2.061 31.818 29.700 0.095 0.000 1.199 38 E HN 0.552 nan 8.360 nan 0.000 0.422 39 V N 5.070 125.016 119.914 0.053 0.000 2.409 39 V HA 0.361 4.480 4.120 -0.001 0.000 0.291 39 V C -0.340 175.780 176.094 0.042 0.000 1.020 39 V CA -0.701 61.565 62.300 -0.056 0.000 0.848 39 V CB 1.220 32.911 31.823 -0.221 0.000 0.990 39 V HN 0.607 nan 8.190 nan 0.000 0.430 40 L N 6.750 127.969 121.223 -0.007 0.000 2.282 40 L HA 0.707 5.046 4.340 -0.001 0.000 0.288 40 L C -0.599 176.322 176.870 0.085 0.000 1.033 40 L CA -0.540 54.241 54.840 -0.099 0.000 0.807 40 L CB 1.080 43.052 42.059 -0.146 0.000 1.209 40 L HN 0.816 nan 8.230 nan 0.000 0.423 41 Y N 1.905 122.140 120.300 -0.108 0.000 2.670 41 Y HA 0.939 5.488 4.550 -0.001 0.000 0.334 41 Y C -0.852 175.033 175.900 -0.025 0.000 1.185 41 Y CA -1.054 57.027 58.100 -0.032 0.000 1.053 41 Y CB 1.712 40.157 38.460 -0.024 0.000 1.298 41 Y HN 0.624 nan 8.280 nan 0.000 0.459 42 A N 0.672 123.585 122.820 0.155 0.000 2.536 42 A HA 0.470 4.790 4.320 -0.001 0.000 0.293 42 A C -1.977 175.684 177.584 0.128 0.000 1.119 42 A CA -0.544 51.526 52.037 0.055 0.000 0.654 42 A CB 0.975 19.968 19.000 -0.012 0.000 1.291 42 A HN 0.913 nan 8.150 nan 0.000 0.439 43 D N -0.395 120.061 120.400 0.094 0.000 2.414 43 D HA 0.286 4.925 4.640 -0.001 0.000 0.242 43 D C 1.163 177.530 176.300 0.111 0.000 1.129 43 D CA 0.025 54.097 54.000 0.120 0.000 0.885 43 D CB 0.675 41.546 40.800 0.119 0.000 1.198 43 D HN 0.441 nan 8.370 nan 0.000 0.437 44 R N 1.957 122.528 120.500 0.119 0.000 2.211 44 R HA -0.191 4.148 4.340 -0.001 0.000 0.240 44 R C 0.561 176.753 176.300 -0.179 0.000 1.144 44 R CA 1.257 57.340 56.100 -0.028 0.000 0.992 44 R CB -0.157 30.106 30.300 -0.062 0.000 0.869 44 R HN 0.620 nan 8.270 nan 0.000 0.462 45 Y N -0.870 119.447 120.300 0.028 0.000 2.555 45 Y HA 0.360 4.909 4.550 -0.001 0.000 0.259 45 Y C 0.523 176.428 175.900 0.008 0.000 1.179 45 Y CA -0.644 57.466 58.100 0.016 0.000 1.230 45 Y CB 0.296 38.769 38.460 0.021 0.000 1.146 45 Y HN -0.045 nan 8.280 nan 0.000 0.526 46 A N 0.523 123.409 122.820 0.110 0.000 2.477 46 A HA 0.289 4.609 4.320 -0.001 0.000 0.246 46 A C 0.753 178.354 177.584 0.030 0.000 1.078 46 A CA -0.029 52.044 52.037 0.061 0.000 0.770 46 A CB 0.149 19.169 19.000 0.034 0.000 1.011 46 A HN 0.241 nan 8.150 nan 0.000 0.494 47 S N 2.673 118.388 115.700 0.025 0.000 2.576 47 S HA 0.274 4.744 4.470 -0.001 0.000 0.276 47 S C -1.330 173.265 174.600 -0.008 0.000 1.339 47 S CA -0.988 57.218 58.200 0.010 0.000 1.039 47 S CB 0.400 63.607 63.200 0.011 0.000 0.902 47 S HN 0.490 nan 8.310 nan 0.000 0.516 48 P HA -0.152 nan 4.420 nan 0.000 0.215 48 P C 0.765 178.051 177.300 -0.022 0.000 1.157 48 P CA 1.528 64.612 63.100 -0.026 0.000 0.874 48 P CB -0.092 31.591 31.700 -0.029 0.000 0.790 49 E N -0.313 119.878 120.200 -0.015 0.000 2.533 49 E HA -0.083 4.266 4.350 -0.001 0.000 0.201 49 E C 0.092 176.686 176.600 -0.010 0.000 1.097 49 E CA 0.588 56.981 56.400 -0.012 0.000 0.887 49 E CB -0.960 28.736 29.700 -0.008 0.000 0.855 49 E HN 0.374 nan 8.360 nan 0.000 0.540 50 E N 1.079 121.272 120.200 -0.013 0.000 2.216 50 E HA 0.164 4.513 4.350 -0.001 0.000 0.279 50 E C -0.637 175.950 176.600 -0.021 0.000 0.997 50 E CA -0.760 55.631 56.400 -0.014 0.000 0.817 50 E CB 0.991 30.684 29.700 -0.011 0.000 1.096 50 E HN 0.095 nan 8.360 nan 0.000 0.393 51 E N 2.215 122.404 120.200 -0.017 0.000 2.413 51 E HA 0.053 4.402 4.350 -0.001 0.000 0.263 51 E C -0.773 175.803 176.600 -0.040 0.000 1.015 51 E CA 0.039 56.431 56.400 -0.013 0.000 0.916 51 E CB 0.514 30.213 29.700 -0.001 0.000 0.947 51 E HN 0.313 nan 8.360 nan 0.000 0.440 52 L N 2.607 123.800 121.223 -0.051 0.000 2.399 52 L HA 0.481 4.821 4.340 -0.001 0.000 0.266 52 L C 0.298 177.063 176.870 -0.174 0.000 1.114 52 L CA -0.909 53.846 54.840 -0.140 0.000 0.804 52 L CB 1.246 43.200 42.059 -0.174 0.000 1.146 52 L HN 0.580 nan 8.230 nan 0.000 0.451 53 A N 1.935 124.514 122.820 -0.401 0.000 2.302 53 A HA 0.447 4.766 4.320 -0.001 0.000 0.285 53 A C -0.461 176.841 177.584 -0.471 0.000 1.105 53 A CA -0.323 51.423 52.037 -0.484 0.000 0.816 53 A CB 0.274 18.700 19.000 -0.957 0.000 1.067 53 A HN 0.757 nan 8.150 nan 0.000 0.489 54 H N -0.438 118.506 119.070 -0.211 0.000 2.651 54 H HA 0.708 5.263 4.556 -0.001 0.000 0.353 54 H C -0.448 174.967 175.328 0.145 0.000 1.178 54 H CA -0.064 55.980 56.048 -0.007 0.000 1.224 54 H CB 2.178 31.942 29.762 0.003 0.000 1.702 54 H HN 0.888 nan 8.280 nan 0.000 0.550 55 A N 2.515 125.502 122.820 0.278 0.000 2.522 55 A HA 0.198 4.517 4.320 -0.001 0.000 0.290 55 A C -1.478 176.186 177.584 0.133 0.000 1.047 55 A CA -0.627 51.530 52.037 0.201 0.000 0.935 55 A CB 0.654 19.771 19.000 0.196 0.000 1.451 55 A HN 0.439 nan 8.150 nan 0.000 0.398 56 L N 2.648 123.943 121.223 0.119 0.000 2.410 56 L HA 0.623 4.963 4.340 -0.001 0.000 0.273 56 L C 0.580 177.516 176.870 0.111 0.000 1.144 56 L CA 0.647 55.555 54.840 0.113 0.000 0.863 56 L CB 1.024 43.144 42.059 0.102 0.000 1.140 56 L HN 0.983 nan 8.230 nan 0.000 0.463 57 A N 4.690 127.595 122.820 0.142 0.000 2.252 57 A HA 0.673 4.992 4.320 -0.001 0.000 0.309 57 A C 0.378 178.121 177.584 0.265 0.000 1.285 57 A CA -0.011 52.136 52.037 0.184 0.000 0.900 57 A CB 0.078 19.217 19.000 0.233 0.000 1.157 57 A HN 0.893 nan 8.150 nan 0.000 0.536 58 G N 1.149 110.072 108.800 0.205 0.000 2.507 58 G HA2 0.407 4.366 3.960 -0.001 0.000 0.271 58 G HA3 0.407 4.366 3.960 -0.001 0.000 0.271 58 G C 0.019 175.033 174.900 0.190 0.000 1.189 58 G CA -0.662 44.560 45.100 0.204 0.000 0.859 58 G HN 0.792 nan 8.290 nan 0.000 0.542 59 K N 0.797 121.234 120.400 0.062 0.000 2.315 59 K HA 0.359 4.679 4.320 -0.001 0.000 0.291 59 K C 0.999 177.514 176.600 -0.143 0.000 1.074 59 K CA -0.068 56.020 56.287 -0.332 0.000 0.936 59 K CB 0.532 32.812 32.500 -0.367 0.000 1.049 59 K HN 0.391 nan 8.250 nan 0.000 0.471 60 A N 3.618 126.370 122.820 -0.112 0.000 2.218 60 A HA 0.270 4.589 4.320 -0.001 0.000 0.209 60 A C 0.648 178.209 177.584 -0.039 0.000 1.168 60 A CA 0.729 52.742 52.037 -0.041 0.000 0.804 60 A CB 0.161 19.149 19.000 -0.020 0.000 0.834 60 A HN 0.836 nan 8.150 nan 0.000 0.482 61 G N -2.344 106.436 108.800 -0.034 0.000 2.338 61 G HA2 0.474 4.433 3.960 -0.001 0.000 0.295 61 G HA3 0.474 4.433 3.960 -0.001 0.000 0.295 61 G C -1.317 173.658 174.900 0.126 0.000 1.461 61 G CA 0.031 45.142 45.100 0.020 0.000 0.817 61 G HN 0.481 nan 8.290 nan 0.000 0.556 62 S N 0.139 115.925 115.700 0.144 0.000 2.546 62 S HA 0.697 5.166 4.470 -0.001 0.000 0.272 62 S C -0.888 173.818 174.600 0.176 0.000 1.140 62 S CA -0.654 57.654 58.200 0.180 0.000 0.920 62 S CB 2.216 65.456 63.200 0.066 0.000 1.083 62 S HN 1.049 nan 8.310 nan 0.000 0.476 63 D N 0.816 121.365 120.400 0.248 0.000 2.658 63 D HA 0.371 5.010 4.640 -0.001 0.000 0.243 63 D C 0.844 177.194 176.300 0.083 0.000 1.159 63 D CA -0.622 53.473 54.000 0.159 0.000 1.084 63 D CB -0.104 40.840 40.800 0.240 0.000 1.227 63 D HN 0.425 nan 8.370 nan 0.000 0.636 64 E N -0.877 119.353 120.200 0.050 0.000 2.110 64 E HA -0.108 4.241 4.350 -0.001 0.000 0.193 64 E C 1.786 178.348 176.600 -0.064 0.000 0.988 64 E CA 1.066 57.462 56.400 -0.007 0.000 0.804 64 E CB 0.129 29.819 29.700 -0.017 0.000 0.745 64 E HN 0.295 nan 8.360 nan 0.000 0.458 65 R N -1.422 119.015 120.500 -0.104 0.000 2.344 65 R HA 0.181 4.520 4.340 -0.001 0.000 0.209 65 R C -0.081 175.809 176.300 -0.683 0.000 0.886 65 R CA -0.059 55.782 56.100 -0.432 0.000 1.040 65 R CB 0.714 30.620 30.300 -0.657 0.000 1.114 65 R HN -0.047 nan 8.270 nan 0.000 0.547 66 F N -0.150 119.764 119.950 -0.061 0.000 2.654 66 F HA 0.418 4.944 4.527 -0.001 0.000 0.334 66 F C -0.101 175.598 175.800 -0.169 0.000 1.078 66 F CA -1.285 56.619 58.000 -0.159 0.000 0.986 66 F CB 1.037 39.825 39.000 -0.355 0.000 1.362 66 F HN -0.316 nan 8.300 nan 0.000 0.498 67 D N -0.496 119.911 120.400 0.011 0.000 2.340 67 D HA 0.384 5.024 4.640 -0.001 0.000 0.240 67 D C -1.525 174.624 176.300 -0.251 0.000 1.001 67 D CA -0.241 53.712 54.000 -0.078 0.000 0.888 67 D CB 1.921 42.687 40.800 -0.056 0.000 1.310 67 D HN 0.309 nan 8.370 nan 0.000 0.474 68 Y N 0.369 120.537 120.300 -0.219 0.000 2.361 68 Y HA 0.443 4.992 4.550 -0.001 0.000 0.337 68 Y C -0.495 175.210 175.900 -0.325 0.000 0.965 68 Y CA -0.834 57.209 58.100 -0.095 0.000 1.091 68 Y CB 1.271 39.713 38.460 -0.030 0.000 1.182 68 Y HN 0.146 nan 8.280 nan 0.000 0.450 69 F N 1.380 121.453 119.950 0.205 0.000 2.480 69 F HA 0.560 5.087 4.527 -0.001 0.000 0.329 69 F C -0.022 175.854 175.800 0.126 0.000 1.091 69 F CA -0.873 57.212 58.000 0.141 0.000 0.972 69 F CB 1.909 40.977 39.000 0.112 0.000 1.150 69 F HN 0.364 nan 8.300 nan 0.000 0.467 70 E N 1.408 121.749 120.200 0.235 0.000 2.272 70 E HA 0.795 5.144 4.350 -0.001 0.000 0.269 70 E C -1.562 175.087 176.600 0.082 0.000 0.877 70 E CA -0.800 55.670 56.400 0.116 0.000 0.755 70 E CB 2.137 31.860 29.700 0.038 0.000 1.192 70 E HN 0.747 nan 8.360 nan 0.000 0.422 71 A N 3.066 125.893 122.820 0.012 0.000 2.515 71 A HA 0.725 5.044 4.320 -0.001 0.000 0.296 71 A C -1.913 175.582 177.584 -0.148 0.000 1.094 71 A CA -0.672 51.341 52.037 -0.040 0.000 0.718 71 A CB 1.406 20.386 19.000 -0.033 0.000 1.307 71 A HN 0.452 nan 8.150 nan 0.000 0.408 72 L N 1.250 122.383 121.223 -0.149 0.000 2.349 72 L HA 0.686 5.026 4.340 -0.001 0.000 0.278 72 L C -1.692 175.023 176.870 -0.258 0.000 0.996 72 L CA -0.461 54.260 54.840 -0.198 0.000 0.825 72 L CB 1.371 43.358 42.059 -0.120 0.000 1.243 72 L HN 0.521 nan 8.230 nan 0.000 0.412 73 L N 4.981 125.959 121.223 -0.408 0.000 2.272 73 L HA 0.476 4.816 4.340 -0.001 0.000 0.289 73 L C -0.042 176.658 176.870 -0.283 0.000 1.032 73 L CA -0.258 54.223 54.840 -0.598 0.000 0.810 73 L CB 1.222 42.686 42.059 -0.992 0.000 1.205 73 L HN 0.501 nan 8.230 nan 0.000 0.422 74 E N 2.659 122.831 120.200 -0.047 0.000 2.105 74 E HA 0.207 4.556 4.350 -0.001 0.000 0.285 74 E C -0.855 175.796 176.600 0.085 0.000 1.055 74 E CA -0.075 56.343 56.400 0.029 0.000 0.843 74 E CB 0.977 30.724 29.700 0.077 0.000 1.067 74 E HN 0.457 nan 8.360 nan 0.000 0.398 75 C N 3.118 122.420 119.300 0.004 0.000 2.357 75 C HA 0.184 4.644 4.460 -0.001 0.000 0.300 75 C C 1.895 176.879 174.990 -0.010 0.000 1.074 75 C CA -0.592 58.436 59.018 0.016 0.000 1.566 75 C CB -0.722 26.998 27.740 -0.033 0.000 1.791 75 C HN 0.663 nan 8.230 nan 0.000 0.415 76 S N 1.911 117.617 115.700 0.011 0.000 2.387 76 S HA -0.186 4.284 4.470 -0.001 0.000 0.230 76 S C 2.113 176.700 174.600 -0.023 0.000 1.035 76 S CA 2.338 60.535 58.200 -0.004 0.000 1.014 76 S CB -0.199 63.005 63.200 0.008 0.000 0.836 76 S HN 0.941 nan 8.310 nan 0.000 0.466 77 T N -1.060 113.483 114.554 -0.018 0.000 3.088 77 T HA 0.187 4.536 4.350 -0.001 0.000 0.259 77 T C 0.641 175.259 174.700 -0.136 0.000 1.122 77 T CA 0.456 62.535 62.100 -0.034 0.000 1.095 77 T CB -0.384 68.495 68.868 0.018 0.000 0.930 77 T HN 0.434 nan 8.240 nan 0.000 0.508 78 K N -0.003 120.296 120.400 -0.168 0.000 3.446 78 K HA -0.159 4.161 4.320 -0.001 0.000 0.312 78 K C -0.359 176.034 176.600 -0.344 0.000 1.329 78 K CA 0.768 56.855 56.287 -0.333 0.000 0.935 78 K CB -1.246 30.882 32.500 -0.621 0.000 1.281 78 K HN 0.518 nan 8.250 nan 0.000 0.457 79 R N 0.401 120.833 120.500 -0.113 0.000 2.532 79 R HA 0.628 4.968 4.340 -0.001 0.000 0.297 79 R C -1.215 175.150 176.300 0.109 0.000 0.984 79 R CA -0.762 55.361 56.100 0.039 0.000 0.884 79 R CB 2.776 33.162 30.300 0.144 0.000 1.182 79 R HN -0.011 nan 8.270 nan 0.000 0.442 80 V N 3.019 123.032 119.914 0.164 0.000 2.888 80 V HA 0.554 4.673 4.120 -0.001 0.000 0.309 80 V C -1.595 174.658 176.094 0.264 0.000 1.114 80 V CA -0.725 61.694 62.300 0.198 0.000 0.940 80 V CB 2.242 34.148 31.823 0.138 0.000 1.021 80 V HN 0.815 nan 8.190 nan 0.000 0.426 81 K N 5.635 126.181 120.400 0.244 0.000 2.371 81 K HA 0.798 5.117 4.320 -0.001 0.000 0.251 81 K C -1.691 175.064 176.600 0.259 0.000 0.934 81 K CA -0.651 55.737 56.287 0.168 0.000 0.798 81 K CB 2.236 34.747 32.500 0.019 0.000 1.204 81 K HN 0.828 nan 8.250 nan 0.000 0.427 82 Y N -1.584 118.722 120.300 0.009 0.000 2.638 82 Y HA 0.725 5.274 4.550 -0.001 0.000 0.335 82 Y C -1.773 174.062 175.900 -0.108 0.000 1.155 82 Y CA -1.380 56.683 58.100 -0.062 0.000 1.046 82 Y CB 1.480 39.834 38.460 -0.176 0.000 1.303 82 Y HN 0.394 nan 8.280 nan 0.000 0.460 83 V N 2.064 121.935 119.914 -0.071 0.000 3.078 83 V HA 0.679 4.799 4.120 -0.001 0.000 0.311 83 V C -1.796 174.251 176.094 -0.079 0.000 1.138 83 V CA -1.207 61.059 62.300 -0.056 0.000 1.007 83 V CB 2.154 33.994 31.823 0.030 0.000 1.045 83 V HN 0.701 nan 8.190 nan 0.000 0.432 84 F N 4.747 124.824 119.950 0.212 0.000 2.425 84 F HA 0.676 5.202 4.527 -0.001 0.000 0.331 84 F C -0.180 175.698 175.800 0.130 0.000 1.085 84 F CA -0.763 57.348 58.000 0.184 0.000 1.028 84 F CB 1.687 40.821 39.000 0.223 0.000 1.177 84 F HN 0.306 nan 8.300 nan 0.000 0.487 85 L N 4.662 125.985 121.223 0.166 0.000 2.313 85 L HA 0.482 4.821 4.340 -0.001 0.000 0.273 85 L C -1.149 175.673 176.870 -0.079 0.000 1.028 85 L CA -0.375 54.378 54.840 -0.145 0.000 0.871 85 L CB 0.202 42.158 42.059 -0.172 0.000 1.242 85 L HN 0.445 nan 8.230 nan 0.000 0.434 86 L N 4.268 125.444 121.223 -0.079 0.000 2.292 86 L HA 0.545 4.885 4.340 -0.001 0.000 0.284 86 L C -0.021 176.783 176.870 -0.110 0.000 1.065 86 L CA -0.399 54.387 54.840 -0.089 0.000 0.806 86 L CB 1.336 43.361 42.059 -0.056 0.000 1.175 86 L HN 0.500 nan 8.230 nan 0.000 0.431 87 T N 1.530 116.021 114.554 -0.106 0.000 2.792 87 T HA 0.484 4.833 4.350 -0.001 0.000 0.280 87 T C 0.473 175.137 174.700 -0.061 0.000 0.990 87 T CA -0.567 61.489 62.100 -0.074 0.000 0.960 87 T CB 1.805 70.642 68.868 -0.051 0.000 0.939 87 T HN 0.740 nan 8.240 nan 0.000 0.439 88 G N 2.487 111.258 108.800 -0.048 0.000 2.563 88 G HA2 0.423 4.382 3.960 -0.001 0.000 0.283 88 G HA3 0.423 4.382 3.960 -0.001 0.000 0.283 88 G C -1.732 173.159 174.900 -0.016 0.000 1.309 88 G CA -1.555 43.523 45.100 -0.037 0.000 1.022 88 G HN 0.396 nan 8.290 nan 0.000 0.501 89 P HA 0.020 nan 4.420 nan 0.000 0.223 89 P C 1.137 178.436 177.300 -0.001 0.000 1.151 89 P CA 0.995 64.096 63.100 0.002 0.000 0.787 89 P CB 0.349 32.050 31.700 0.001 0.000 0.788 90 Q N -1.447 118.348 119.800 -0.008 0.000 2.189 90 Q HA 0.319 4.658 4.340 -0.001 0.000 0.221 90 Q C 0.970 176.967 176.000 -0.005 0.000 0.848 90 Q CA 0.273 56.072 55.803 -0.006 0.000 1.007 90 Q CB -0.136 28.596 28.738 -0.009 0.000 1.116 90 Q HN 0.157 nan 8.270 nan 0.000 0.481 91 G N 1.408 110.204 108.800 -0.006 0.000 2.234 91 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.260 91 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.260 91 G C 0.105 174.998 174.900 -0.011 0.000 0.987 91 G CA 0.403 45.500 45.100 -0.006 0.000 0.625 91 G HN 0.484 nan 8.290 nan 0.000 0.532 92 E N 1.199 121.390 120.200 -0.014 0.000 2.480 92 E HA 0.476 4.825 4.350 -0.001 0.000 0.258 92 E C 0.194 176.777 176.600 -0.029 0.000 0.984 92 E CA 0.445 56.835 56.400 -0.016 0.000 0.930 92 E CB 0.884 30.572 29.700 -0.019 0.000 0.936 92 E HN 1.283 nan 8.360 nan 0.000 0.466 93 A N 3.323 126.127 122.820 -0.027 0.000 2.312 93 A HA 0.588 4.907 4.320 -0.001 0.000 0.326 93 A C -0.691 176.861 177.584 -0.053 0.000 1.172 93 A CA -0.793 51.203 52.037 -0.067 0.000 0.821 93 A CB 1.313 20.265 19.000 -0.080 0.000 1.166 93 A HN 0.442 nan 8.150 nan 0.000 0.493 94 V N 2.609 122.468 119.914 -0.092 0.000 2.711 94 V HA 0.283 4.402 4.120 -0.001 0.000 0.304 94 V C -1.310 174.800 176.094 0.028 0.000 1.097 94 V CA -0.494 61.825 62.300 0.031 0.000 0.906 94 V CB 1.282 33.154 31.823 0.081 0.000 1.015 94 V HN 0.845 nan 8.190 nan 0.000 0.427 95 Y N 3.598 124.024 120.300 0.211 0.000 2.307 95 Y HA 0.591 5.140 4.550 -0.001 0.000 0.324 95 Y C -0.217 175.890 175.900 0.345 0.000 1.238 95 Y CA -0.304 57.934 58.100 0.231 0.000 1.280 95 Y CB 1.306 39.845 38.460 0.131 0.000 1.248 95 Y HN 0.640 nan 8.280 nan 0.000 0.508 96 F N 1.914 122.039 119.950 0.291 0.000 2.671 96 F HA 0.673 5.199 4.527 -0.001 0.000 0.332 96 F C -0.259 175.655 175.800 0.190 0.000 1.189 96 F CA -0.331 57.723 58.000 0.091 0.000 0.988 96 F CB 0.720 39.811 39.000 0.151 0.000 1.258 96 F HN 0.581 nan 8.300 nan 0.000 0.471 97 G N 3.562 112.111 108.800 -0.419 0.000 3.176 97 G HA2 0.166 4.125 3.960 -0.001 0.000 0.272 97 G HA3 0.166 4.125 3.960 -0.001 0.000 0.272 97 G C -0.071 174.004 174.900 -1.375 0.000 1.349 97 G CA -0.463 44.150 45.100 -0.811 0.000 0.953 97 G HN 0.630 nan 8.290 nan 0.000 0.559 98 E N -1.035 118.301 120.200 -1.441 0.000 2.118 98 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 98 E C 2.331 178.588 176.600 -0.573 0.000 0.992 98 E CA 1.827 57.558 56.400 -1.115 0.000 0.804 98 E CB -0.028 29.228 29.700 -0.740 0.000 0.741 98 E HN 0.435 nan 8.360 nan 0.000 0.458 99 T N -0.456 113.841 114.554 -0.428 0.000 2.746 99 T HA 0.073 4.422 4.350 -0.001 0.000 0.267 99 T C 0.813 175.402 174.700 -0.186 0.000 1.039 99 T CA 0.967 62.921 62.100 -0.243 0.000 1.142 99 T CB 0.102 68.861 68.868 -0.181 0.000 0.866 99 T HN 0.484 nan 8.240 nan 0.000 0.444 100 G N -0.071 108.585 108.800 -0.240 0.000 2.366 100 G HA2 0.290 4.250 3.960 -0.001 0.000 0.190 100 G HA3 0.290 4.250 3.960 -0.001 0.000 0.190 100 G C -1.735 173.003 174.900 -0.270 0.000 1.299 100 G CA -1.075 43.901 45.100 -0.206 0.000 1.056 100 G HN 0.189 nan 8.290 nan 0.000 0.468 101 F N 1.104 121.170 119.950 0.194 0.000 2.450 101 F HA 0.835 5.361 4.527 -0.001 0.000 0.332 101 F C 0.744 176.623 175.800 0.132 0.000 1.093 101 F CA 0.010 58.122 58.000 0.186 0.000 1.003 101 F CB 2.312 41.374 39.000 0.103 0.000 1.151 101 F HN 0.617 nan 8.300 nan 0.000 0.474 102 S N 0.531 116.431 115.700 0.333 0.000 2.552 102 S HA 0.622 5.091 4.470 -0.001 0.000 0.272 102 S C 0.091 174.857 174.600 0.277 0.000 1.150 102 S CA -0.054 58.284 58.200 0.231 0.000 0.849 102 S CB 1.298 64.579 63.200 0.135 0.000 1.113 102 S HN 0.804 nan 8.310 nan 0.000 0.458 103 A N 1.885 124.826 122.820 0.203 0.000 2.119 103 A HA 0.292 4.611 4.320 -0.001 0.000 0.216 103 A C 0.550 178.295 177.584 0.267 0.000 1.152 103 A CA 0.664 52.834 52.037 0.223 0.000 0.708 103 A CB -0.289 18.790 19.000 0.132 0.000 0.805 103 A HN 0.766 nan 8.150 nan 0.000 0.460 104 E N -0.855 119.427 120.200 0.136 0.000 2.191 104 E HA 0.336 4.685 4.350 -0.001 0.000 0.278 104 E C 0.545 176.974 176.600 -0.285 0.000 0.972 104 E CA -0.632 55.744 56.400 -0.041 0.000 0.804 104 E CB 1.495 31.169 29.700 -0.043 0.000 1.110 104 E HN 0.337 nan 8.360 nan 0.000 0.394 105 R N 1.655 121.714 120.500 -0.735 0.000 2.081 105 R HA -0.154 4.185 4.340 -0.001 0.000 0.235 105 R C 2.071 178.129 176.300 -0.404 0.000 1.131 105 R CA 2.099 57.605 56.100 -0.990 0.000 0.960 105 R CB -0.073 29.629 30.300 -0.997 0.000 0.856 105 R HN 0.587 nan 8.270 nan 0.000 0.436 106 S N 0.114 115.651 115.700 -0.271 0.000 2.447 106 S HA -0.087 4.382 4.470 -0.001 0.000 0.233 106 S C 1.478 175.997 174.600 -0.135 0.000 1.006 106 S CA 0.981 59.077 58.200 -0.173 0.000 0.957 106 S CB -0.022 63.100 63.200 -0.129 0.000 0.773 106 S HN 0.372 nan 8.310 nan 0.000 0.507 107 K N 0.944 121.276 120.400 -0.114 0.000 2.400 107 K HA 0.365 4.684 4.320 -0.001 0.000 0.194 107 K C 1.993 178.551 176.600 -0.070 0.000 1.033 107 K CA 0.558 56.801 56.287 -0.073 0.000 1.021 107 K CB -0.089 32.390 32.500 -0.034 0.000 0.808 107 K HN 0.463 nan 8.250 nan 0.000 0.505 108 A N 1.569 124.344 122.820 -0.076 0.000 2.169 108 A HA 0.241 4.560 4.320 -0.001 0.000 0.212 108 A C 1.103 178.574 177.584 -0.188 0.000 1.153 108 A CA 0.873 52.868 52.037 -0.070 0.000 0.756 108 A CB -0.415 18.613 19.000 0.047 0.000 0.813 108 A HN 0.372 nan 8.150 nan 0.000 0.471 109 G N -1.934 106.752 108.800 -0.190 0.000 2.642 109 G HA2 0.046 4.005 3.960 -0.001 0.000 0.231 109 G HA3 0.046 4.005 3.960 -0.001 0.000 0.231 109 G C -0.334 174.390 174.900 -0.293 0.000 1.338 109 G CA -0.111 44.841 45.100 -0.247 0.000 0.883 109 G HN 1.410 nan 8.290 nan 0.000 0.570 110 V N -0.108 119.586 119.914 -0.367 0.000 2.817 110 V HA 0.611 4.730 4.120 -0.001 0.000 0.303 110 V C -0.413 175.395 176.094 -0.478 0.000 1.151 110 V CA -0.933 61.144 62.300 -0.372 0.000 0.929 110 V CB 1.461 33.150 31.823 -0.224 0.000 1.030 110 V HN 0.916 nan 8.190 nan 0.000 0.427 111 F N 3.886 123.489 119.950 -0.578 0.000 2.450 111 F HA 0.515 5.041 4.527 -0.001 0.000 0.339 111 F C 0.784 176.274 175.800 -0.515 0.000 1.146 111 F CA 0.308 57.938 58.000 -0.617 0.000 1.267 111 F CB 0.851 39.297 39.000 -0.924 0.000 1.178 111 F HN 0.386 nan 8.300 nan 0.000 0.585 112 Q N 1.817 121.612 119.800 -0.008 0.000 2.274 112 Q HA 0.207 4.546 4.340 -0.001 0.000 0.268 112 Q C -1.797 174.326 176.000 0.206 0.000 1.015 112 Q CA -0.821 55.029 55.803 0.080 0.000 0.775 112 Q CB 2.450 31.185 28.738 -0.005 0.000 1.256 112 Q HN 0.591 nan 8.270 nan 0.000 0.442 113 Y N 1.728 122.151 120.300 0.205 0.000 2.717 113 Y HA 0.344 4.893 4.550 -0.001 0.000 0.329 113 Y C 0.950 176.929 175.900 0.131 0.000 1.017 113 Y CA -0.167 58.038 58.100 0.175 0.000 1.275 113 Y CB 0.376 38.939 38.460 0.171 0.000 1.109 113 Y HN 0.939 nan 8.280 nan 0.000 0.511 114 A N 4.869 127.661 122.820 -0.046 0.000 1.894 114 A HA -0.249 4.071 4.320 -0.001 0.000 0.220 114 A C -0.200 177.495 177.584 0.184 0.000 1.237 114 A CA 2.319 54.388 52.037 0.053 0.000 0.660 114 A CB -0.659 18.349 19.000 0.014 0.000 0.835 114 A HN 0.732 nan 8.150 nan 0.000 0.461 115 Y N -2.911 117.381 120.300 -0.014 0.000 2.521 115 Y HA 0.514 5.063 4.550 -0.001 0.000 0.328 115 Y C -1.292 174.608 175.900 0.000 0.000 1.151 115 Y CA -1.115 56.970 58.100 -0.025 0.000 1.054 115 Y CB 1.099 39.471 38.460 -0.146 0.000 1.338 115 Y HN 0.135 nan 8.280 nan 0.000 0.453 116 I N 6.325 126.768 120.570 -0.211 0.000 2.310 116 I HA 0.227 4.396 4.170 -0.001 0.000 0.287 116 I C -0.725 175.405 176.117 0.021 0.000 1.073 116 I CA -0.354 60.964 61.300 0.030 0.000 1.216 116 I CB 0.138 38.118 38.000 -0.032 0.000 1.415 116 I HN 0.603 nan 8.210 nan 0.000 0.480 117 H N 4.398 123.662 119.070 0.322 0.000 2.610 117 H HA 0.176 4.731 4.556 -0.001 0.000 0.336 117 H C 1.308 176.737 175.328 0.168 0.000 1.087 117 H CA -0.431 55.786 56.048 0.283 0.000 1.405 117 H CB 0.946 30.834 29.762 0.210 0.000 1.460 117 H HN 0.476 nan 8.280 nan 0.000 0.538 118 R N 0.785 121.426 120.500 0.236 0.000 2.189 118 R HA -0.102 4.237 4.340 -0.001 0.000 0.223 118 R C 1.205 177.588 176.300 0.138 0.000 1.092 118 R CA 1.395 57.586 56.100 0.151 0.000 0.989 118 R CB -0.084 30.284 30.300 0.112 0.000 0.876 118 R HN 0.548 nan 8.270 nan 0.000 0.457 119 S N 0.174 115.964 115.700 0.151 0.000 2.555 119 S HA -0.009 4.461 4.470 -0.001 0.000 0.230 119 S C 0.901 175.550 174.600 0.081 0.000 0.978 119 S CA 0.514 58.771 58.200 0.095 0.000 0.934 119 S CB 0.109 63.349 63.200 0.066 0.000 0.766 119 S HN 0.563 nan 8.310 nan 0.000 0.533 120 E N 0.584 120.860 120.200 0.127 0.000 2.548 120 E HA 0.236 4.585 4.350 -0.001 0.000 0.206 120 E C -0.974 175.700 176.600 0.123 0.000 1.005 120 E CA -0.195 56.269 56.400 0.107 0.000 0.951 120 E CB 1.122 30.914 29.700 0.153 0.000 1.035 120 E HN 0.268 nan 8.360 nan 0.000 0.470 121 V N 2.800 122.791 119.914 0.128 0.000 2.372 121 V HA 0.028 4.147 4.120 -0.001 0.000 0.261 121 V C 0.081 176.280 176.094 0.174 0.000 1.055 121 V CA -0.411 61.977 62.300 0.146 0.000 0.930 121 V CB -0.420 31.474 31.823 0.119 0.000 1.031 121 V HN 0.206 nan 8.190 nan 0.000 0.479 122 F N 5.080 125.036 119.950 0.010 0.000 2.512 122 F HA 0.052 4.579 4.527 -0.001 0.000 0.406 122 F C 0.799 176.582 175.800 -0.029 0.000 0.990 122 F CA 0.706 58.688 58.000 -0.031 0.000 1.137 122 F CB -0.087 38.856 39.000 -0.096 0.000 0.960 122 F HN 0.482 nan 8.300 nan 0.000 0.533 123 T N 4.689 119.537 114.554 0.490 0.000 2.861 123 T HA 0.600 4.949 4.350 -0.001 0.000 0.287 123 T C -0.202 174.632 174.700 0.224 0.000 1.003 123 T CA -0.629 61.613 62.100 0.236 0.000 0.977 123 T CB 1.695 70.639 68.868 0.127 0.000 0.996 123 T HN 0.691 nan 8.240 nan 0.000 0.448 124 T N 0.378 114.972 114.554 0.067 0.000 2.901 124 T HA 0.735 5.084 4.350 -0.001 0.000 0.293 124 T C -3.100 171.559 174.700 -0.068 0.000 1.084 124 T CA -2.462 59.639 62.100 0.001 0.000 1.008 124 T CB 1.209 70.018 68.868 -0.099 0.000 1.170 124 T HN 0.174 nan 8.240 nan 0.000 0.509 125 P HA 0.254 nan 4.420 nan 0.000 0.268 125 P C 0.844 177.971 177.300 -0.287 0.000 1.204 125 P CA -0.249 62.732 63.100 -0.198 0.000 0.768 125 P CB 0.591 32.095 31.700 -0.328 0.000 0.842 126 E N 2.634 122.760 120.200 -0.123 0.000 2.058 126 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 126 E C 1.894 178.445 176.600 -0.082 0.000 0.997 126 E CA 1.526 57.884 56.400 -0.071 0.000 0.801 126 E CB -0.539 29.179 29.700 0.030 0.000 0.746 126 E HN 0.711 nan 8.360 nan 0.000 0.450 127 W N 0.847 122.151 121.300 0.007 0.000 2.350 127 W HA 0.009 4.668 4.660 -0.001 0.000 0.289 127 W C 1.671 178.202 176.519 0.021 0.000 1.215 127 W CA 1.080 58.429 57.345 0.007 0.000 1.236 127 W CB -0.887 28.573 29.460 0.000 0.000 1.130 127 W HN -0.024 nan 8.180 nan 0.000 0.541 128 A N 1.164 123.379 122.820 -1.009 0.000 2.235 128 A HA -0.024 4.296 4.320 -0.001 0.000 0.208 128 A C 2.021 179.399 177.584 -0.343 0.000 1.172 128 A CA 0.745 52.279 52.037 -0.840 0.000 0.786 128 A CB -0.573 17.721 19.000 -1.177 0.000 0.804 128 A HN 0.337 nan 8.150 nan 0.000 0.479 129 K N 0.024 120.271 120.400 -0.255 0.000 2.366 129 K HA -0.062 4.258 4.320 -0.001 0.000 0.198 129 K C 0.104 176.640 176.600 -0.107 0.000 1.044 129 K CA 1.286 57.475 56.287 -0.164 0.000 0.973 129 K CB 0.089 32.510 32.500 -0.131 0.000 0.767 129 K HN 0.836 nan 8.250 nan 0.000 0.475 130 E N -0.443 119.725 120.200 -0.053 0.000 4.230 130 E HA 0.343 4.692 4.350 -0.001 0.000 0.218 130 E C -0.998 175.650 176.600 0.080 0.000 1.140 130 E CA -0.541 55.854 56.400 -0.009 0.000 1.405 130 E CB 0.973 30.696 29.700 0.038 0.000 1.193 130 E HN 0.013 nan 8.360 nan 0.000 0.423 131 A N 0.531 123.375 122.820 0.041 0.000 2.309 131 A HA 0.791 5.110 4.320 -0.001 0.000 0.317 131 A C -0.525 177.060 177.584 0.003 0.000 1.134 131 A CA -0.803 51.309 52.037 0.125 0.000 0.866 131 A CB 1.788 20.910 19.000 0.203 0.000 1.329 131 A HN 0.199 nan 8.150 nan 0.000 0.477 132 V N 2.303 122.239 119.914 0.037 0.000 2.445 132 V HA 0.244 4.363 4.120 -0.001 0.000 0.283 132 V C -0.900 175.169 176.094 -0.041 0.000 1.014 132 V CA -0.416 61.859 62.300 -0.041 0.000 0.852 132 V CB 0.998 32.829 31.823 0.014 0.000 1.021 132 V HN 0.660 nan 8.190 nan 0.000 0.435 133 I N 4.066 124.523 120.570 -0.188 0.000 2.474 133 I HA 0.316 4.485 4.170 -0.001 0.000 0.287 133 I C -0.370 175.707 176.117 -0.067 0.000 1.048 133 I CA -0.359 60.808 61.300 -0.222 0.000 1.383 133 I CB 0.658 38.243 38.000 -0.691 0.000 1.412 133 I HN 0.615 nan 8.210 nan 0.000 0.531 134 Y N 5.371 125.594 120.300 -0.128 0.000 2.328 134 Y HA 0.299 4.848 4.550 -0.001 0.000 0.336 134 Y C 0.221 176.079 175.900 -0.069 0.000 0.960 134 Y CA -0.576 57.485 58.100 -0.064 0.000 1.134 134 Y CB 1.218 39.637 38.460 -0.068 0.000 1.166 134 Y HN 0.604 nan 8.280 nan 0.000 0.464 135 Q N 6.873 126.561 119.800 -0.188 0.000 2.296 135 Q HA 0.457 4.796 4.340 -0.001 0.000 0.257 135 Q C -1.451 174.413 176.000 -0.227 0.000 0.942 135 Q CA -0.363 55.426 55.803 -0.023 0.000 0.939 135 Q CB 0.664 29.604 28.738 0.336 0.000 1.198 135 Q HN 0.798 nan 8.270 nan 0.000 0.429 136 I N 4.502 124.852 120.570 -0.366 0.000 2.362 136 I HA 0.212 4.381 4.170 -0.001 0.000 0.289 136 I C -0.803 175.126 176.117 -0.313 0.000 0.994 136 I CA -0.760 60.279 61.300 -0.435 0.000 1.158 136 I CB 1.027 38.684 38.000 -0.571 0.000 1.315 136 I HN 0.647 nan 8.210 nan 0.000 0.451 137 F N 10.339 130.008 119.950 -0.468 0.000 2.384 137 F HA 0.401 4.927 4.527 -0.001 0.000 0.359 137 F C -1.331 174.321 175.800 -0.247 0.000 1.143 137 F CA -2.499 55.314 58.000 -0.312 0.000 1.216 137 F CB 0.350 39.231 39.000 -0.198 0.000 1.512 137 F HN 0.335 nan 8.300 nan 0.000 0.573 138 P HA -0.324 nan 4.420 nan 0.000 0.226 138 P C 1.152 178.451 177.300 -0.003 0.000 1.154 138 P CA 1.551 64.440 63.100 -0.352 0.000 0.901 138 P CB 0.266 31.317 31.700 -1.081 0.000 0.788 139 E N -0.816 119.596 120.200 0.354 0.000 2.511 139 E HA -0.072 4.277 4.350 -0.001 0.000 0.196 139 E C 0.982 177.944 176.600 0.603 0.000 1.066 139 E CA 0.379 57.201 56.400 0.702 0.000 0.871 139 E CB 0.129 30.335 29.700 0.843 0.000 0.863 139 E HN 0.228 nan 8.360 nan 0.000 0.520 140 R N -1.449 119.340 120.500 0.483 0.000 2.544 140 R HA 0.105 4.445 4.340 -0.001 0.000 0.426 140 R C 0.997 177.471 176.300 0.291 0.000 0.943 140 R CA -0.193 56.035 56.100 0.213 0.000 1.162 140 R CB -0.662 29.620 30.300 -0.030 0.000 1.588 140 R HN 0.086 nan 8.270 nan 0.000 0.563 141 F N 1.201 121.324 119.950 0.288 0.000 2.208 141 F HA 0.441 4.967 4.527 -0.001 0.000 0.282 141 F C 0.205 176.424 175.800 0.697 0.000 1.071 141 F CA 0.468 58.655 58.000 0.312 0.000 1.228 141 F CB 0.556 39.647 39.000 0.152 0.000 1.088 141 F HN -0.055 nan 8.300 nan 0.000 0.512 142 A N 0.700 123.791 122.820 0.452 0.000 2.465 142 A HA 0.316 4.635 4.320 -0.001 0.000 0.292 142 A C -1.558 175.985 177.584 -0.067 0.000 1.041 142 A CA -0.647 51.408 52.037 0.030 0.000 0.718 142 A CB 0.388 19.296 19.000 -0.153 0.000 1.266 142 A HN 0.225 nan 8.150 nan 0.000 0.403 143 N N 2.236 120.691 118.700 -0.408 0.000 2.868 143 N HA 0.215 4.955 4.740 -0.001 0.000 0.252 143 N C 1.177 176.577 175.510 -0.183 0.000 1.130 143 N CA 0.544 53.474 53.050 -0.201 0.000 1.026 143 N CB 0.818 39.161 38.487 -0.240 0.000 1.335 143 N HN 0.790 nan 8.380 nan 0.000 0.516 144 G N 0.856 109.594 108.800 -0.103 0.000 2.598 144 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.215 144 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.215 144 G C 0.057 174.915 174.900 -0.069 0.000 1.131 144 G CA 0.189 45.226 45.100 -0.106 0.000 0.785 144 G HN 0.542 nan 8.290 nan 0.000 0.539 145 D N -1.492 118.886 120.400 -0.035 0.000 2.613 145 D HA 0.242 4.881 4.640 -0.001 0.000 0.230 145 D C -1.989 174.307 176.300 -0.007 0.000 1.365 145 D CA -1.681 52.306 54.000 -0.020 0.000 0.976 145 D CB 2.432 43.231 40.800 -0.002 0.000 1.415 145 D HN -0.077 nan 8.370 nan 0.000 0.589 146 P HA -0.032 nan 4.420 nan 0.000 0.230 146 P C 0.901 178.198 177.300 -0.005 0.000 1.168 146 P CA 0.320 63.419 63.100 -0.003 0.000 0.793 146 P CB 0.195 31.891 31.700 -0.006 0.000 0.851 147 S N 0.611 116.306 115.700 -0.008 0.000 2.595 147 S HA -0.078 4.391 4.470 -0.001 0.000 0.235 147 S C 1.209 175.799 174.600 -0.015 0.000 0.974 147 S CA 0.752 58.946 58.200 -0.010 0.000 0.942 147 S CB -1.332 61.863 63.200 -0.008 0.000 0.766 147 S HN 0.247 nan 8.310 nan 0.000 0.536 148 N N -0.173 118.516 118.700 -0.018 0.000 2.170 148 N HA 0.130 4.870 4.740 -0.001 0.000 0.222 148 N C -1.208 174.259 175.510 -0.071 0.000 1.218 148 N CA -0.466 52.562 53.050 -0.037 0.000 0.889 148 N CB -0.195 38.280 38.487 -0.020 0.000 1.083 148 N HN 0.084 nan 8.380 nan 0.000 0.520 149 D N 3.319 123.688 120.400 -0.051 0.000 2.417 149 D HA 0.114 4.754 4.640 -0.001 0.000 0.250 149 D C -1.958 174.270 176.300 -0.121 0.000 1.166 149 D CA -0.691 53.264 54.000 -0.075 0.000 0.881 149 D CB 1.006 41.800 40.800 -0.009 0.000 1.164 149 D HN 0.297 nan 8.370 nan 0.000 0.467 150 P HA 0.097 nan 4.420 nan 0.000 0.268 150 P C -2.503 174.761 177.300 -0.061 0.000 1.205 150 P CA -1.071 61.891 63.100 -0.229 0.000 0.771 150 P CB -0.167 31.179 31.700 -0.589 0.000 0.858 151 P HA 0.048 nan 4.420 nan 0.000 0.262 151 P C 0.737 178.089 177.300 0.086 0.000 1.199 151 P CA 0.781 63.902 63.100 0.035 0.000 0.763 151 P CB -0.036 31.683 31.700 0.031 0.000 0.790 152 G N 1.677 110.519 108.800 0.072 0.000 2.164 152 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.154 152 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.154 152 G C 0.236 175.176 174.900 0.067 0.000 1.014 152 G CA -0.366 44.784 45.100 0.083 0.000 0.683 152 G HN 0.572 nan 8.290 nan 0.000 0.500 153 T N 1.439 116.022 114.554 0.049 0.000 2.906 153 T HA 0.420 4.770 4.350 -0.001 0.000 0.320 153 T C 0.609 175.273 174.700 -0.060 0.000 1.088 153 T CA 0.738 62.841 62.100 0.005 0.000 1.120 153 T CB 1.195 70.093 68.868 0.050 0.000 1.000 153 T HN 0.484 nan 8.240 nan 0.000 0.550 154 E N 0.513 120.587 120.200 -0.210 0.000 2.450 154 E HA 0.340 4.690 4.350 -0.001 0.000 0.248 154 E C -0.613 176.015 176.600 0.047 0.000 0.930 154 E CA -0.995 55.309 56.400 -0.159 0.000 0.854 154 E CB 0.713 30.207 29.700 -0.344 0.000 1.355 154 E HN 0.376 nan 8.360 nan 0.000 0.402 155 Q N 1.348 121.232 119.800 0.139 0.000 2.296 155 Q HA -0.011 4.328 4.340 -0.001 0.000 0.263 155 Q C -1.282 174.956 176.000 0.398 0.000 1.026 155 Q CA -0.065 55.881 55.803 0.238 0.000 0.912 155 Q CB 0.365 29.201 28.738 0.162 0.000 1.198 155 Q HN 0.435 nan 8.270 nan 0.000 0.407 156 W N 5.808 127.265 121.300 0.262 0.000 2.429 156 W HA 0.451 5.110 4.660 -0.001 0.000 0.431 156 W C -1.224 175.360 176.519 0.108 0.000 1.038 156 W CA -0.016 57.467 57.345 0.229 0.000 1.635 156 W CB -0.554 29.017 29.460 0.185 0.000 1.721 156 W HN 0.714 nan 8.180 nan 0.000 0.366 157 A N 4.187 127.084 122.820 0.130 0.000 2.469 157 A HA 0.320 4.639 4.320 -0.001 0.000 0.299 157 A C 0.916 178.480 177.584 -0.034 0.000 1.098 157 A CA -0.682 51.408 52.037 0.089 0.000 0.737 157 A CB 1.773 20.830 19.000 0.096 0.000 1.312 157 A HN 0.512 nan 8.150 nan 0.000 0.414 158 K N -0.031 120.361 120.400 -0.014 0.000 2.148 158 K HA -0.181 4.138 4.320 -0.001 0.000 0.204 158 K C 0.823 177.388 176.600 -0.059 0.000 1.050 158 K CA 2.231 58.483 56.287 -0.058 0.000 0.942 158 K CB -0.115 32.364 32.500 -0.034 0.000 0.724 158 K HN 0.825 nan 8.250 nan 0.000 0.446 159 D N 0.047 120.432 120.400 -0.026 0.000 2.363 159 D HA 0.019 4.659 4.640 -0.001 0.000 0.226 159 D C 0.198 176.488 176.300 -0.016 0.000 1.020 159 D CA 0.062 54.051 54.000 -0.019 0.000 0.892 159 D CB 0.046 40.846 40.800 0.000 0.000 0.900 159 D HN 0.216 nan 8.370 nan 0.000 0.531 160 A N 0.769 123.576 122.820 -0.022 0.000 2.498 160 A HA 0.369 4.689 4.320 -0.001 0.000 0.239 160 A C 0.434 178.006 177.584 -0.021 0.000 1.068 160 A CA -0.276 51.766 52.037 0.010 0.000 0.766 160 A CB 0.325 19.345 19.000 0.033 0.000 1.003 160 A HN 0.115 nan 8.150 nan 0.000 0.497 161 R N 2.170 122.677 120.500 0.012 0.000 2.629 161 R HA 0.278 4.618 4.340 -0.001 0.000 0.277 161 R C -2.854 173.450 176.300 0.007 0.000 1.637 161 R CA -1.645 54.448 56.100 -0.012 0.000 1.663 161 R CB 0.054 30.344 30.300 -0.016 0.000 1.228 161 R HN 0.543 nan 8.270 nan 0.000 0.632 162 P HA -0.104 nan 4.420 nan 0.000 0.268 162 P C 0.093 177.378 177.300 -0.026 0.000 1.171 162 P CA 0.651 63.786 63.100 0.059 0.000 0.761 162 P CB 0.742 32.476 31.700 0.057 0.000 0.786 163 R N 1.139 121.621 120.500 -0.029 0.000 2.944 163 R HA 0.329 4.668 4.340 -0.001 0.000 0.233 163 R C 1.413 177.643 176.300 -0.118 0.000 1.346 163 R CA -0.845 55.202 56.100 -0.088 0.000 1.082 163 R CB 0.268 30.543 30.300 -0.042 0.000 1.434 163 R HN 0.548 nan 8.270 nan 0.000 0.510 164 H N 0.883 119.919 119.070 -0.058 0.000 2.491 164 H HA -0.072 4.483 4.556 -0.001 0.000 0.290 164 H C 0.112 175.291 175.328 -0.248 0.000 1.050 164 H CA 1.542 57.535 56.048 -0.092 0.000 1.309 164 H CB 0.121 29.842 29.762 -0.069 0.000 1.392 164 H HN 0.552 nan 8.280 nan 0.000 0.554 165 D N -1.403 118.873 120.400 -0.207 0.000 2.501 165 D HA 0.083 4.723 4.640 -0.001 0.000 0.224 165 D C 0.290 176.360 176.300 -0.383 0.000 1.202 165 D CA -0.291 53.347 54.000 -0.604 0.000 0.829 165 D CB 0.080 40.618 40.800 -0.436 0.000 1.023 165 D HN -0.162 nan 8.370 nan 0.000 0.499 166 S N 0.173 115.791 115.700 -0.135 0.000 2.580 166 S HA 0.308 4.777 4.470 -0.001 0.000 0.266 166 S C -0.267 174.413 174.600 0.133 0.000 1.354 166 S CA -0.018 58.178 58.200 -0.007 0.000 1.008 166 S CB 0.438 63.699 63.200 0.101 0.000 0.898 166 S HN 0.305 nan 8.310 nan 0.000 0.555 167 F N 0.282 120.223 119.950 -0.016 0.000 2.605 167 F HA 0.271 4.797 4.527 -0.001 0.000 0.320 167 F C -0.817 174.876 175.800 -0.179 0.000 1.159 167 F CA -0.741 57.288 58.000 0.047 0.000 0.999 167 F CB 1.530 40.552 39.000 0.038 0.000 1.258 167 F HN 0.605 nan 8.300 nan 0.000 0.464 168 Y N 1.065 121.575 120.300 0.350 0.000 2.641 168 Y HA 0.259 4.808 4.550 -0.001 0.000 0.248 168 Y C 1.396 177.562 175.900 0.443 0.000 1.170 168 Y CA 0.324 58.605 58.100 0.302 0.000 1.201 168 Y CB 1.273 39.748 38.460 0.024 0.000 1.232 168 Y HN 0.842 nan 8.280 nan 0.000 0.537 169 G N 0.478 109.485 108.800 0.345 0.000 2.175 169 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.265 169 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.265 169 G C 0.873 175.974 174.900 0.335 0.000 0.979 169 G CA 0.100 45.339 45.100 0.231 0.000 0.663 169 G HN 0.714 nan 8.290 nan 0.000 0.533 170 G N 0.336 109.470 108.800 0.558 0.000 2.484 170 G HA2 0.482 4.441 3.960 -0.001 0.000 0.235 170 G HA3 0.482 4.441 3.960 -0.001 0.000 0.235 170 G C 0.152 175.315 174.900 0.438 0.000 1.282 170 G CA 0.870 46.277 45.100 0.511 0.000 0.857 170 G HN 1.028 nan 8.290 nan 0.000 0.571 171 D N 0.158 120.731 120.400 0.288 0.000 2.825 171 D HA 0.085 4.724 4.640 -0.001 0.000 0.327 171 D C 1.251 177.602 176.300 0.084 0.000 1.277 171 D CA -0.801 53.354 54.000 0.258 0.000 0.950 171 D CB 0.344 41.301 40.800 0.262 0.000 1.438 171 D HN 0.232 nan 8.370 nan 0.000 0.526 172 L N -0.441 120.807 121.223 0.042 0.000 2.017 172 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 172 L C 2.522 179.402 176.870 0.017 0.000 1.073 172 L CA 1.488 56.318 54.840 -0.017 0.000 0.745 172 L CB -0.614 41.438 42.059 -0.011 0.000 0.894 172 L HN 0.395 nan 8.230 nan 0.000 0.432 173 K N 0.879 121.294 120.400 0.024 0.000 2.127 173 K HA -0.164 4.155 4.320 -0.001 0.000 0.208 173 K C 1.853 178.442 176.600 -0.017 0.000 1.047 173 K CA 1.728 58.013 56.287 -0.003 0.000 0.927 173 K CB -0.875 31.620 32.500 -0.007 0.000 0.716 173 K HN 0.271 nan 8.250 nan 0.000 0.450 174 G N -0.008 108.794 108.800 0.003 0.000 2.433 174 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.216 174 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.216 174 G C 1.582 176.513 174.900 0.052 0.000 1.186 174 G CA 1.056 46.140 45.100 -0.026 0.000 0.779 174 G HN 0.194 nan 8.290 nan 0.000 0.543 175 V N 1.508 121.542 119.914 0.201 0.000 2.282 175 V HA -0.249 3.870 4.120 -0.001 0.000 0.249 175 V C 2.843 179.025 176.094 0.147 0.000 1.057 175 V CA 1.914 64.400 62.300 0.311 0.000 1.032 175 V CB -0.476 31.511 31.823 0.272 0.000 0.645 175 V HN 0.434 nan 8.190 nan 0.000 0.447 176 I N 0.037 120.635 120.570 0.048 0.000 2.208 176 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 176 I C 2.216 178.314 176.117 -0.032 0.000 1.097 176 I CA 1.739 63.035 61.300 -0.007 0.000 1.363 176 I CB -0.624 37.355 38.000 -0.034 0.000 1.051 176 I HN 0.340 nan 8.210 nan 0.000 0.413 177 D N 0.652 121.012 120.400 -0.067 0.000 2.219 177 D HA -0.106 4.533 4.640 -0.001 0.000 0.205 177 D C 2.116 178.314 176.300 -0.170 0.000 0.970 177 D CA 0.852 54.772 54.000 -0.132 0.000 0.851 177 D CB -0.152 40.531 40.800 -0.195 0.000 0.943 177 D HN 0.271 nan 8.370 nan 0.000 0.488 178 R N 0.305 120.728 120.500 -0.129 0.000 2.280 178 R HA 0.178 4.518 4.340 -0.001 0.000 0.195 178 R C 2.383 178.732 176.300 0.082 0.000 0.935 178 R CA -0.183 55.842 56.100 -0.124 0.000 1.033 178 R CB -0.521 29.705 30.300 -0.124 0.000 0.964 178 R HN 0.271 nan 8.270 nan 0.000 0.489 179 L N 1.093 122.356 121.223 0.066 0.000 2.103 179 L HA -0.228 4.112 4.340 -0.001 0.000 0.215 179 L C -0.663 176.236 176.870 0.048 0.000 1.080 179 L CA 1.976 56.849 54.840 0.054 0.000 0.764 179 L CB -1.526 40.537 42.059 0.007 0.000 0.890 179 L HN 0.105 nan 8.230 nan 0.000 0.435 180 P HA -0.231 nan 4.420 nan 0.000 0.215 180 P C 1.359 178.725 177.300 0.111 0.000 1.153 180 P CA 1.302 64.428 63.100 0.044 0.000 0.853 180 P CB -0.094 31.616 31.700 0.017 0.000 0.788 181 Y N 0.697 121.007 120.300 0.017 0.000 2.081 181 Y HA -0.235 4.314 4.550 -0.001 0.000 0.280 181 Y C 2.030 178.017 175.900 0.146 0.000 1.163 181 Y CA 1.609 59.773 58.100 0.106 0.000 1.135 181 Y CB -1.278 37.262 38.460 0.134 0.000 0.970 181 Y HN -0.218 nan 8.280 nan 0.000 0.498 182 L N 0.196 121.456 121.223 0.061 0.000 2.042 182 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 182 L C 2.604 179.394 176.870 -0.133 0.000 1.076 182 L CA 2.050 56.798 54.840 -0.154 0.000 0.749 182 L CB -0.737 41.253 42.059 -0.116 0.000 0.893 182 L HN 0.318 nan 8.230 nan 0.000 0.432 183 E N 0.300 120.466 120.200 -0.057 0.000 2.153 183 E HA -0.286 4.063 4.350 -0.001 0.000 0.194 183 E C 2.100 178.667 176.600 -0.054 0.000 0.988 183 E CA 1.226 57.593 56.400 -0.055 0.000 0.811 183 E CB 0.079 29.761 29.700 -0.032 0.000 0.746 183 E HN 0.498 nan 8.360 nan 0.000 0.466 184 E N 0.067 120.251 120.200 -0.026 0.000 2.152 184 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 184 E C 2.111 178.663 176.600 -0.080 0.000 0.983 184 E CA 0.524 56.924 56.400 0.000 0.000 0.818 184 E CB 0.002 29.769 29.700 0.113 0.000 0.758 184 E HN 0.245 nan 8.360 nan 0.000 0.467 185 L N -0.043 121.085 121.223 -0.157 0.000 2.141 185 L HA 0.047 4.386 4.340 -0.001 0.000 0.209 185 L C 1.611 178.385 176.870 -0.160 0.000 1.094 185 L CA 2.313 56.992 54.840 -0.268 0.000 0.763 185 L CB -0.196 41.677 42.059 -0.310 0.000 0.908 185 L HN 0.367 nan 8.230 nan 0.000 0.437 186 G N -1.506 107.229 108.800 -0.108 0.000 2.179 186 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.220 186 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.220 186 G C 0.369 175.266 174.900 -0.005 0.000 0.990 186 G CA 0.262 45.331 45.100 -0.052 0.000 0.646 186 G HN 0.823 nan 8.290 nan 0.000 0.517 187 V N 0.078 119.972 119.914 -0.033 0.000 2.763 187 V HA 0.605 4.724 4.120 -0.001 0.000 0.306 187 V C 1.405 177.494 176.094 -0.008 0.000 1.059 187 V CA 1.390 63.694 62.300 0.006 0.000 1.138 187 V CB 1.089 32.901 31.823 -0.019 0.000 0.940 187 V HN 1.017 nan 8.190 nan 0.000 0.489 188 T N -0.019 114.557 114.554 0.037 0.000 3.040 188 T HA 0.672 5.021 4.350 -0.001 0.000 0.250 188 T C 0.451 175.157 174.700 0.009 0.000 1.058 188 T CA 0.405 62.520 62.100 0.024 0.000 0.988 188 T CB 0.190 69.122 68.868 0.106 0.000 0.993 188 T HN 1.773 nan 8.240 nan 0.000 0.519 189 A N 0.744 123.576 122.820 0.020 0.000 2.574 189 A HA 0.705 5.024 4.320 -0.001 0.000 0.297 189 A C -1.933 175.633 177.584 -0.031 0.000 1.062 189 A CA -0.806 51.233 52.037 0.002 0.000 0.686 189 A CB 1.244 20.321 19.000 0.129 0.000 1.285 189 A HN 0.203 nan 8.150 nan 0.000 0.403 190 L N 1.932 123.094 121.223 -0.103 0.000 2.305 190 L HA 0.477 4.816 4.340 -0.001 0.000 0.284 190 L C -0.860 175.818 176.870 -0.321 0.000 1.013 190 L CA -0.232 54.441 54.840 -0.279 0.000 0.819 190 L CB 1.179 42.943 42.059 -0.492 0.000 1.227 190 L HN 0.667 nan 8.230 nan 0.000 0.417 191 Y N 4.963 125.033 120.300 -0.384 0.000 2.491 191 Y HA 0.569 5.118 4.550 -0.001 0.000 0.334 191 Y C -1.075 174.624 175.900 -0.334 0.000 0.969 191 Y CA -1.330 56.642 58.100 -0.213 0.000 1.241 191 Y CB 0.271 38.743 38.460 0.021 0.000 1.105 191 Y HN 0.372 nan 8.280 nan 0.000 0.503 192 F N 3.349 122.978 119.950 -0.535 0.000 2.375 192 F HA 0.375 4.901 4.527 -0.001 0.000 0.333 192 F C 1.253 176.478 175.800 -0.958 0.000 1.104 192 F CA -0.180 57.416 58.000 -0.673 0.000 1.149 192 F CB 1.114 39.850 39.000 -0.441 0.000 1.190 192 F HN 0.457 nan 8.300 nan 0.000 0.533 193 T N 1.678 115.842 114.554 -0.649 0.000 2.900 193 T HA 0.332 4.681 4.350 -0.001 0.000 0.326 193 T C -2.501 171.894 174.700 -0.509 0.000 1.145 193 T CA -1.730 60.010 62.100 -0.599 0.000 0.963 193 T CB 0.434 68.874 68.868 -0.712 0.000 1.512 193 T HN 0.207 nan 8.240 nan 0.000 0.552 194 P HA 0.238 nan 4.420 nan 0.000 0.271 194 P C -0.322 176.748 177.300 -0.383 0.000 1.220 194 P CA 0.061 62.846 63.100 -0.525 0.000 0.768 194 P CB 0.173 31.539 31.700 -0.556 0.000 0.848 195 I N -1.328 118.992 120.570 -0.418 0.000 4.102 195 I HA 0.363 4.532 4.170 -0.001 0.000 0.325 195 I C -0.138 176.048 176.117 0.116 0.000 1.471 195 I CA -0.247 60.974 61.300 -0.132 0.000 1.133 195 I CB -0.571 37.200 38.000 -0.381 0.000 1.184 195 I HN 0.042 nan 8.210 nan 0.000 0.451 196 F N 2.303 122.220 119.950 -0.056 0.000 2.382 196 F HA 0.643 5.170 4.527 -0.001 0.000 0.331 196 F C 1.356 177.166 175.800 0.015 0.000 1.121 196 F CA -1.245 56.748 58.000 -0.012 0.000 1.183 196 F CB 0.981 39.983 39.000 0.003 0.000 1.207 196 F HN 0.082 nan 8.300 nan 0.000 0.555 197 A N 2.861 125.822 122.820 0.236 0.000 2.550 197 A HA 0.249 4.569 4.320 -0.001 0.000 0.263 197 A C 0.133 177.768 177.584 0.085 0.000 1.065 197 A CA 0.578 52.683 52.037 0.113 0.000 0.786 197 A CB -0.341 18.719 19.000 0.100 0.000 0.985 197 A HN 0.606 nan 8.150 nan 0.000 0.518 198 S N 3.330 119.055 115.700 0.042 0.000 2.537 198 S HA 0.699 5.169 4.470 -0.001 0.000 0.270 198 S C -3.146 171.461 174.600 0.013 0.000 1.142 198 S CA -1.023 57.204 58.200 0.045 0.000 0.870 198 S CB 2.063 65.301 63.200 0.063 0.000 1.112 198 S HN 0.485 nan 8.310 nan 0.000 0.466 199 P HA 0.319 nan 4.420 nan 0.000 0.219 199 P C -0.699 176.606 177.300 0.009 0.000 1.832 199 P CA 0.002 63.117 63.100 0.024 0.000 1.014 199 P CB -0.217 31.513 31.700 0.049 0.000 1.939 200 S N 0.842 116.528 115.700 -0.024 0.000 2.611 200 S HA 0.347 4.816 4.470 -0.001 0.000 0.268 200 S C 0.036 174.630 174.600 -0.011 0.000 1.156 200 S CA -0.467 57.682 58.200 -0.085 0.000 0.817 200 S CB 0.467 63.428 63.200 -0.398 0.000 1.122 200 S HN 0.245 nan 8.310 nan 0.000 0.466 201 H N 0.719 119.708 119.070 -0.135 0.000 2.539 201 H HA 0.231 4.787 4.556 -0.001 0.000 0.269 201 H C 1.099 176.604 175.328 0.295 0.000 0.980 201 H CA 1.358 57.484 56.048 0.130 0.000 1.152 201 H CB 0.012 29.657 29.762 -0.195 0.000 1.407 201 H HN 0.700 nan 8.280 nan 0.000 0.564 202 H N -2.578 116.703 119.070 0.351 0.000 3.266 202 H HA 0.306 4.862 4.556 -0.001 0.000 0.246 202 H C 0.639 175.949 175.328 -0.031 0.000 0.998 202 H CA -0.380 55.813 56.048 0.243 0.000 1.152 202 H CB 0.331 30.311 29.762 0.364 0.000 1.466 202 H HN -0.147 nan 8.280 nan 0.000 0.481 203 K N -0.455 120.094 120.400 0.248 0.000 3.160 203 K HA -0.224 4.095 4.320 -0.001 0.000 0.280 203 K C -0.449 176.229 176.600 0.131 0.000 1.154 203 K CA 0.873 57.242 56.287 0.137 0.000 0.822 203 K CB -2.666 29.838 32.500 0.007 0.000 1.239 203 K HN 0.459 nan 8.250 nan 0.000 0.489 204 Y N 0.813 121.392 120.300 0.464 0.000 2.523 204 Y HA 0.009 4.559 4.550 -0.001 0.000 0.279 204 Y C 0.823 176.854 175.900 0.218 0.000 1.139 204 Y CA 0.551 58.755 58.100 0.173 0.000 1.296 204 Y CB 0.347 38.746 38.460 -0.102 0.000 1.045 204 Y HN 0.220 nan 8.280 nan 0.000 0.538 205 D N -0.084 120.546 120.400 0.384 0.000 2.638 205 D HA 0.069 4.709 4.640 -0.001 0.000 0.245 205 D C -0.172 176.236 176.300 0.181 0.000 1.176 205 D CA -0.187 53.976 54.000 0.272 0.000 0.996 205 D CB -0.157 40.791 40.800 0.246 0.000 1.012 205 D HN -0.070 nan 8.370 nan 0.000 0.515 206 T N 0.507 115.135 114.554 0.123 0.000 2.923 206 T HA 0.241 4.590 4.350 -0.001 0.000 0.320 206 T C 1.173 175.861 174.700 -0.020 0.000 1.074 206 T CA 0.406 62.464 62.100 -0.071 0.000 1.131 206 T CB 1.259 69.811 68.868 -0.525 0.000 1.058 206 T HN 0.566 nan 8.240 nan 0.000 0.535 207 A N 1.074 123.897 122.820 0.004 0.000 2.140 207 A HA 0.380 4.700 4.320 -0.001 0.000 0.199 207 A C 0.495 178.225 177.584 0.243 0.000 1.416 207 A CA -0.045 52.087 52.037 0.158 0.000 1.018 207 A CB 0.657 19.736 19.000 0.132 0.000 1.117 207 A HN 0.701 nan 8.150 nan 0.000 0.480 208 D N -1.347 119.133 120.400 0.132 0.000 2.351 208 D HA 0.285 4.924 4.640 -0.001 0.000 0.235 208 D C -0.500 175.876 176.300 0.127 0.000 1.331 208 D CA -0.458 53.678 54.000 0.226 0.000 0.959 208 D CB -0.028 40.873 40.800 0.170 0.000 1.432 208 D HN 0.162 nan 8.370 nan 0.000 0.544 209 Y N 1.634 122.110 120.300 0.293 0.000 2.651 209 Y HA -0.004 4.545 4.550 -0.001 0.000 0.293 209 Y C 1.793 177.663 175.900 -0.051 0.000 1.151 209 Y CA 0.903 59.079 58.100 0.126 0.000 1.362 209 Y CB 0.212 38.854 38.460 0.302 0.000 0.973 209 Y HN 0.419 nan 8.280 nan 0.000 0.561 210 L N -1.076 120.198 121.223 0.085 0.000 2.808 210 L HA 0.440 4.779 4.340 -0.001 0.000 0.246 210 L C 0.426 177.247 176.870 -0.081 0.000 1.153 210 L CA -0.294 54.450 54.840 -0.161 0.000 0.956 210 L CB 0.176 41.975 42.059 -0.433 0.000 1.270 210 L HN 0.006 nan 8.230 nan 0.000 0.528 211 A N 0.192 123.084 122.820 0.120 0.000 2.449 211 A HA 0.686 5.005 4.320 -0.001 0.000 0.302 211 A C -0.664 177.093 177.584 0.288 0.000 1.048 211 A CA -0.532 51.623 52.037 0.196 0.000 0.708 211 A CB 1.251 20.305 19.000 0.091 0.000 1.274 211 A HN -0.009 nan 8.150 nan 0.000 0.410 212 I N 1.352 122.121 120.570 0.332 0.000 2.938 212 I HA 0.060 4.229 4.170 -0.001 0.000 0.285 212 I C 0.799 177.035 176.117 0.197 0.000 1.182 212 I CA 0.210 61.675 61.300 0.275 0.000 1.388 212 I CB 0.462 38.600 38.000 0.230 0.000 1.390 212 I HN 0.608 nan 8.210 nan 0.000 0.600 213 D N 6.070 126.583 120.400 0.188 0.000 2.348 213 D HA 0.084 4.723 4.640 -0.001 0.000 0.253 213 D C -1.733 174.544 176.300 -0.038 0.000 1.161 213 D CA -1.511 52.504 54.000 0.024 0.000 0.876 213 D CB 1.501 42.217 40.800 -0.140 0.000 1.160 213 D HN 0.204 nan 8.370 nan 0.000 0.459 214 P HA -0.220 nan 4.420 nan 0.000 0.218 214 P C 1.075 178.316 177.300 -0.099 0.000 1.150 214 P CA 1.535 64.606 63.100 -0.048 0.000 0.841 214 P CB 0.033 31.702 31.700 -0.053 0.000 0.784 215 Q N -2.814 116.834 119.800 -0.253 0.000 2.444 215 Q HA -0.001 4.338 4.340 -0.001 0.000 0.206 215 Q C 0.845 176.739 176.000 -0.176 0.000 0.948 215 Q CA 0.754 56.374 55.803 -0.305 0.000 0.946 215 Q CB -0.371 28.053 28.738 -0.524 0.000 1.027 215 Q HN 0.193 nan 8.270 nan 0.000 0.513 216 F N 0.184 120.113 119.950 -0.035 0.000 2.680 216 F HA 0.495 5.022 4.527 -0.001 0.000 0.290 216 F C 1.287 177.089 175.800 0.002 0.000 1.114 216 F CA 0.350 58.338 58.000 -0.019 0.000 1.333 216 F CB 1.057 40.033 39.000 -0.040 0.000 1.091 216 F HN 0.255 nan 8.300 nan 0.000 0.606 217 G N -0.210 108.706 108.800 0.193 0.000 2.403 217 G HA2 0.307 4.266 3.960 -0.001 0.000 0.223 217 G HA3 0.307 4.266 3.960 -0.001 0.000 0.223 217 G C -2.004 172.976 174.900 0.132 0.000 1.287 217 G CA -0.180 45.003 45.100 0.139 0.000 0.982 217 G HN 0.104 nan 8.290 nan 0.000 0.471 218 D N -1.405 119.083 120.400 0.147 0.000 2.744 218 D HA 0.593 5.233 4.640 -0.001 0.000 0.304 218 D C 1.082 177.510 176.300 0.214 0.000 1.179 218 D CA -0.545 53.546 54.000 0.152 0.000 1.024 218 D CB 0.970 41.834 40.800 0.107 0.000 1.453 218 D HN 0.736 nan 8.370 nan 0.000 0.529 219 L N -0.006 121.345 121.223 0.213 0.000 2.056 219 L HA 0.107 4.446 4.340 -0.001 0.000 0.207 219 L C -1.118 175.895 176.870 0.238 0.000 1.078 219 L CA 1.814 56.815 54.840 0.268 0.000 0.749 219 L CB -1.438 40.753 42.059 0.221 0.000 0.901 219 L HN 0.330 nan 8.230 nan 0.000 0.433 220 P HA -0.121 nan 4.420 nan 0.000 0.216 220 P C 1.518 178.877 177.300 0.098 0.000 1.150 220 P CA 1.756 64.920 63.100 0.107 0.000 0.837 220 P CB -0.097 31.647 31.700 0.073 0.000 0.786 221 T N -1.298 113.325 114.554 0.114 0.000 2.857 221 T HA -0.096 4.253 4.350 -0.001 0.000 0.266 221 T C 1.410 176.161 174.700 0.084 0.000 1.048 221 T CA 0.741 62.889 62.100 0.081 0.000 1.139 221 T CB -0.918 67.999 68.868 0.081 0.000 0.874 221 T HN 0.020 nan 8.240 nan 0.000 0.455 222 F N 2.532 122.500 119.950 0.029 0.000 2.126 222 F HA -0.083 4.443 4.527 -0.001 0.000 0.299 222 F C 2.379 178.177 175.800 -0.004 0.000 1.096 222 F CA 1.254 59.260 58.000 0.009 0.000 1.255 222 F CB -0.110 38.955 39.000 0.108 0.000 0.997 222 F HN -0.115 nan 8.300 nan 0.000 0.479 223 R N -0.086 120.464 120.500 0.084 0.000 2.152 223 R HA -0.154 4.185 4.340 -0.001 0.000 0.232 223 R C 2.246 178.461 176.300 -0.141 0.000 1.117 223 R CA 1.066 57.142 56.100 -0.041 0.000 0.981 223 R CB -0.473 29.862 30.300 0.059 0.000 0.870 223 R HN 0.192 nan 8.270 nan 0.000 0.451 224 R N 1.155 121.593 120.500 -0.104 0.000 2.090 224 R HA -0.069 4.270 4.340 -0.001 0.000 0.228 224 R C 2.096 178.293 176.300 -0.171 0.000 1.110 224 R CA 0.835 56.873 56.100 -0.105 0.000 0.973 224 R CB -0.736 29.531 30.300 -0.056 0.000 0.869 224 R HN 0.139 nan 8.270 nan 0.000 0.440 225 L N -0.161 120.917 121.223 -0.243 0.000 2.017 225 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 225 L C 1.843 178.496 176.870 -0.362 0.000 1.073 225 L CA 1.672 56.346 54.840 -0.277 0.000 0.745 225 L CB -0.695 41.154 42.059 -0.351 0.000 0.894 225 L HN 0.025 nan 8.230 nan 0.000 0.432 226 V N 0.127 119.721 119.914 -0.534 0.000 2.392 226 V HA -0.276 3.843 4.120 -0.001 0.000 0.249 226 V C 2.312 178.035 176.094 -0.619 0.000 1.059 226 V CA 1.998 63.917 62.300 -0.635 0.000 1.051 226 V CB -0.819 30.648 31.823 -0.594 0.000 0.658 226 V HN 0.476 nan 8.190 nan 0.000 0.455 227 D N -0.571 119.629 120.400 -0.332 0.000 2.110 227 D HA -0.089 4.550 4.640 -0.001 0.000 0.202 227 D C 2.324 178.552 176.300 -0.121 0.000 0.975 227 D CA 0.837 54.732 54.000 -0.174 0.000 0.839 227 D CB -0.177 40.565 40.800 -0.096 0.000 0.996 227 D HN 0.346 nan 8.370 nan 0.000 0.464 228 E N 1.032 121.158 120.200 -0.123 0.000 2.110 228 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 228 E C 2.011 178.564 176.600 -0.079 0.000 0.988 228 E CA 0.753 57.103 56.400 -0.083 0.000 0.804 228 E CB -0.300 29.354 29.700 -0.076 0.000 0.745 228 E HN 0.195 nan 8.360 nan 0.000 0.458 229 A N 1.111 123.855 122.820 -0.126 0.000 1.835 229 A HA -0.219 4.100 4.320 -0.001 0.000 0.215 229 A C 1.956 179.521 177.584 -0.032 0.000 1.199 229 A CA 1.809 53.784 52.037 -0.104 0.000 0.615 229 A CB -1.220 17.680 19.000 -0.167 0.000 0.838 229 A HN 0.387 nan 8.150 nan 0.000 0.444 230 H N -1.423 117.580 119.070 -0.110 0.000 2.426 230 H HA -0.132 4.423 4.556 -0.001 0.000 0.298 230 H C 2.358 177.628 175.328 -0.096 0.000 1.107 230 H CA 1.195 57.172 56.048 -0.117 0.000 1.298 230 H CB 0.030 29.724 29.762 -0.115 0.000 1.377 230 H HN 0.389 nan 8.280 nan 0.000 0.519 231 R N 0.601 121.127 120.500 0.044 0.000 2.148 231 R HA -0.052 4.287 4.340 -0.001 0.000 0.227 231 R C 1.204 177.493 176.300 -0.019 0.000 1.103 231 R CA 0.702 56.802 56.100 0.000 0.000 0.983 231 R CB 0.296 30.588 30.300 -0.014 0.000 0.874 231 R HN 0.214 nan 8.270 nan 0.000 0.451 232 R N -0.936 119.550 120.500 -0.024 0.000 2.334 232 R HA 0.186 4.526 4.340 -0.001 0.000 0.216 232 R C 0.712 176.982 176.300 -0.050 0.000 0.905 232 R CA 0.621 56.699 56.100 -0.037 0.000 1.064 232 R CB 0.370 30.648 30.300 -0.038 0.000 1.046 232 R HN 0.321 nan 8.270 nan 0.000 0.508 233 G N 1.652 110.424 108.800 -0.047 0.000 2.203 233 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.231 233 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.231 233 G C -0.194 174.660 174.900 -0.077 0.000 1.058 233 G CA -0.246 44.810 45.100 -0.073 0.000 0.781 233 G HN 0.277 nan 8.290 nan 0.000 0.496 234 I N -0.368 120.173 120.570 -0.048 0.000 2.466 234 I HA 0.463 4.633 4.170 -0.001 0.000 0.289 234 I C 0.204 176.310 176.117 -0.017 0.000 1.026 234 I CA -1.137 60.130 61.300 -0.055 0.000 1.078 234 I CB 1.878 39.842 38.000 -0.059 0.000 1.249 234 I HN -0.085 nan 8.210 nan 0.000 0.429 235 K N 5.130 125.460 120.400 -0.116 0.000 2.127 235 K HA 0.620 4.939 4.320 -0.001 0.000 0.240 235 K C -0.754 175.808 176.600 -0.063 0.000 1.024 235 K CA -0.349 55.855 56.287 -0.138 0.000 0.918 235 K CB 0.810 32.990 32.500 -0.533 0.000 1.108 235 K HN 0.325 nan 8.250 nan 0.000 0.485 236 I N 2.454 123.015 120.570 -0.015 0.000 2.447 236 I HA 0.323 4.492 4.170 -0.001 0.000 0.287 236 I C -0.895 175.269 176.117 0.079 0.000 1.023 236 I CA -0.678 60.648 61.300 0.044 0.000 1.083 236 I CB 1.296 39.327 38.000 0.052 0.000 1.245 236 I HN 0.357 nan 8.210 nan 0.000 0.434 237 I N 6.683 127.334 120.570 0.135 0.000 2.406 237 I HA 0.466 4.635 4.170 -0.001 0.000 0.290 237 I C -0.004 176.232 176.117 0.199 0.000 0.999 237 I CA -0.559 60.854 61.300 0.189 0.000 1.124 237 I CB 1.899 40.144 38.000 0.408 0.000 1.289 237 I HN 0.295 nan 8.210 nan 0.000 0.441 238 L N 4.186 125.421 121.223 0.020 0.000 2.334 238 L HA 0.487 4.826 4.340 -0.001 0.000 0.272 238 L C 0.163 177.101 176.870 0.113 0.000 1.020 238 L CA -0.867 53.955 54.840 -0.031 0.000 0.812 238 L CB 1.742 43.616 42.059 -0.308 0.000 1.264 238 L HN 0.453 nan 8.230 nan 0.000 0.439 239 D N 1.249 121.666 120.400 0.029 0.000 2.302 239 D HA 0.458 5.097 4.640 -0.001 0.000 0.248 239 D C -0.744 175.597 176.300 0.069 0.000 1.094 239 D CA 0.006 54.089 54.000 0.138 0.000 0.897 239 D CB 1.919 42.761 40.800 0.070 0.000 1.200 239 D HN 0.597 nan 8.370 nan 0.000 0.429 240 A N 3.153 126.019 122.820 0.076 0.000 2.363 240 A HA 0.428 4.747 4.320 -0.001 0.000 0.296 240 A C -0.498 176.975 177.584 -0.185 0.000 1.237 240 A CA -0.792 51.176 52.037 -0.115 0.000 0.773 240 A CB 0.713 19.417 19.000 -0.494 0.000 1.153 240 A HN 0.369 nan 8.150 nan 0.000 0.473 241 V N 0.759 120.735 119.914 0.103 0.000 2.320 241 V HA 0.575 4.694 4.120 -0.001 0.000 0.265 241 V C -0.267 176.038 176.094 0.352 0.000 1.048 241 V CA -0.156 62.213 62.300 0.115 0.000 0.865 241 V CB -0.461 31.460 31.823 0.163 0.000 1.043 241 V HN 0.652 nan 8.190 nan 0.000 0.474 242 F N 2.829 122.720 119.950 -0.098 0.000 2.724 242 F HA 0.266 4.792 4.527 -0.001 0.000 0.306 242 F C 1.963 177.579 175.800 -0.306 0.000 1.100 242 F CA -0.061 57.805 58.000 -0.223 0.000 1.255 242 F CB -0.557 38.262 39.000 -0.302 0.000 1.072 242 F HN 0.632 nan 8.300 nan 0.000 0.589 243 N N 0.124 118.774 118.700 -0.084 0.000 2.142 243 N HA -0.133 4.606 4.740 -0.001 0.000 0.186 243 N C -0.042 175.491 175.510 0.038 0.000 1.023 243 N CA 0.857 53.868 53.050 -0.065 0.000 0.852 243 N CB 0.056 38.563 38.487 0.032 0.000 0.998 243 N HN 0.357 nan 8.380 nan 0.000 0.424 244 H N -2.043 117.123 119.070 0.159 0.000 2.946 244 H HA 0.784 5.340 4.556 -0.001 0.000 0.365 244 H C -1.331 174.122 175.328 0.207 0.000 1.197 244 H CA -0.946 55.208 56.048 0.178 0.000 1.131 244 H CB 1.542 31.425 29.762 0.203 0.000 1.849 244 H HN 0.074 nan 8.280 nan 0.000 0.555 245 A N 0.591 123.631 122.820 0.366 0.000 2.423 245 A HA 0.762 5.081 4.320 -0.001 0.000 0.304 245 A C 0.320 178.040 177.584 0.228 0.000 1.104 245 A CA -0.579 51.623 52.037 0.276 0.000 0.757 245 A CB 1.048 20.111 19.000 0.105 0.000 1.313 245 A HN 1.115 nan 8.150 nan 0.000 0.423 246 G N -0.302 108.605 108.800 0.177 0.000 2.539 246 G HA2 0.390 4.349 3.960 -0.001 0.000 0.258 246 G HA3 0.390 4.349 3.960 -0.001 0.000 0.258 246 G C 0.276 175.257 174.900 0.135 0.000 1.202 246 G CA 0.402 45.593 45.100 0.152 0.000 0.851 246 G HN 0.844 nan 8.290 nan 0.000 0.556 247 D N -0.317 120.138 120.400 0.091 0.000 2.392 247 D HA -0.101 4.539 4.640 -0.001 0.000 0.228 247 D C 1.662 178.139 176.300 0.296 0.000 1.003 247 D CA 0.658 54.767 54.000 0.181 0.000 0.917 247 D CB 0.227 41.169 40.800 0.238 0.000 0.890 247 D HN 0.319 nan 8.370 nan 0.000 0.532 248 Q N -1.152 118.787 119.800 0.231 0.000 2.392 248 Q HA 0.220 4.559 4.340 -0.001 0.000 0.203 248 Q C -0.378 175.780 176.000 0.262 0.000 0.917 248 Q CA -0.409 55.515 55.803 0.200 0.000 0.939 248 Q CB -0.245 28.586 28.738 0.155 0.000 1.063 248 Q HN 0.316 nan 8.270 nan 0.000 0.516 249 F N 1.312 121.345 119.950 0.138 0.000 2.623 249 F HA -0.069 4.457 4.527 -0.001 0.000 0.383 249 F C 0.990 176.844 175.800 0.091 0.000 1.077 249 F CA -0.928 57.169 58.000 0.163 0.000 1.268 249 F CB 0.069 39.194 39.000 0.209 0.000 1.053 249 F HN 0.193 nan 8.300 nan 0.000 0.571 250 F N 5.298 125.090 119.950 -0.263 0.000 2.015 250 F HA -0.213 4.313 4.527 -0.001 0.000 0.297 250 F C 1.940 177.328 175.800 -0.687 0.000 1.141 250 F CA 1.896 59.637 58.000 -0.433 0.000 1.192 250 F CB -1.480 37.298 39.000 -0.369 0.000 0.957 250 F HN 0.448 nan 8.300 nan 0.000 0.491 251 A N -0.034 121.008 122.820 -2.963 0.000 1.958 251 A HA -0.251 4.068 4.320 -0.001 0.000 0.221 251 A C 2.196 179.237 177.584 -0.906 0.000 1.178 251 A CA 2.017 52.679 52.037 -2.291 0.000 0.642 251 A CB -1.735 15.880 19.000 -2.308 0.000 0.816 251 A HN 0.665 nan 8.150 nan 0.000 0.453 252 F N 0.157 119.683 119.950 -0.706 0.000 2.206 252 F HA -0.007 4.520 4.527 -0.001 0.000 0.298 252 F C 2.321 177.858 175.800 -0.438 0.000 1.090 252 F CA 1.302 58.933 58.000 -0.614 0.000 1.323 252 F CB -0.217 38.395 39.000 -0.646 0.000 1.028 252 F HN 0.114 nan 8.300 nan 0.000 0.492 253 R N -0.101 120.162 120.500 -0.395 0.000 2.115 253 R HA -0.163 4.176 4.340 -0.001 0.000 0.230 253 R C 1.888 177.970 176.300 -0.364 0.000 1.111 253 R CA 1.299 57.184 56.100 -0.360 0.000 0.976 253 R CB -0.700 29.503 30.300 -0.161 0.000 0.870 253 R HN 0.288 nan 8.270 nan 0.000 0.445 254 D N 0.456 120.628 120.400 -0.381 0.000 2.378 254 D HA -0.083 4.556 4.640 -0.001 0.000 0.222 254 D C 1.274 177.416 176.300 -0.264 0.000 0.980 254 D CA 0.678 54.499 54.000 -0.299 0.000 0.907 254 D CB 0.473 41.038 40.800 -0.392 0.000 0.899 254 D HN 0.046 nan 8.370 nan 0.000 0.527 255 V N 0.122 119.805 119.914 -0.386 0.000 2.581 255 V HA -0.061 4.058 4.120 -0.001 0.000 0.240 255 V C 2.551 178.444 176.094 -0.336 0.000 1.054 255 V CA 0.399 62.502 62.300 -0.328 0.000 1.076 255 V CB -0.149 31.405 31.823 -0.448 0.000 0.748 255 V HN 0.112 nan 8.190 nan 0.000 0.474 256 L N -0.002 120.910 121.223 -0.518 0.000 2.362 256 L HA -0.150 4.189 4.340 -0.001 0.000 0.219 256 L C 2.404 179.160 176.870 -0.190 0.000 1.134 256 L CA 1.503 56.138 54.840 -0.342 0.000 0.807 256 L CB -0.312 41.522 42.059 -0.377 0.000 0.927 256 L HN 0.384 nan 8.230 nan 0.000 0.447 257 Q N -0.516 119.166 119.800 -0.196 0.000 2.373 257 Q HA -0.010 4.329 4.340 -0.001 0.000 0.210 257 Q C 1.633 177.565 176.000 -0.115 0.000 0.913 257 Q CA 0.579 56.301 55.803 -0.133 0.000 0.911 257 Q CB 0.498 29.158 28.738 -0.129 0.000 1.040 257 Q HN 0.312 nan 8.270 nan 0.000 0.521 258 K N -0.760 119.564 120.400 -0.127 0.000 2.402 258 K HA 0.192 4.511 4.320 -0.001 0.000 0.204 258 K C 0.557 177.061 176.600 -0.160 0.000 1.056 258 K CA 0.350 56.566 56.287 -0.118 0.000 1.069 258 K CB 1.307 33.752 32.500 -0.092 0.000 0.888 258 K HN 0.316 nan 8.250 nan 0.000 0.546 259 G N 2.405 111.104 108.800 -0.167 0.000 2.594 259 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.297 259 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.297 259 G C 0.563 175.204 174.900 -0.431 0.000 1.273 259 G CA 0.458 45.374 45.100 -0.308 0.000 0.974 259 G HN 0.378 nan 8.290 nan 0.000 0.552 260 E N 0.180 119.790 120.200 -0.983 0.000 2.472 260 E HA -0.090 4.259 4.350 -0.001 0.000 0.200 260 E C 2.124 178.592 176.600 -0.221 0.000 1.046 260 E CA 1.289 57.332 56.400 -0.594 0.000 0.871 260 E CB -0.033 29.250 29.700 -0.695 0.000 0.806 260 E HN 0.443 nan 8.360 nan 0.000 0.533 261 Q N -0.137 119.535 119.800 -0.213 0.000 2.246 261 Q HA 0.125 4.464 4.340 -0.001 0.000 0.202 261 Q C 0.028 175.978 176.000 -0.084 0.000 0.883 261 Q CA -0.061 55.668 55.803 -0.123 0.000 0.952 261 Q CB 0.879 29.546 28.738 -0.119 0.000 1.078 261 Q HN -0.076 nan 8.270 nan 0.000 0.493 262 S N 0.051 115.711 115.700 -0.067 0.000 2.528 262 S HA 0.160 4.630 4.470 -0.001 0.000 0.277 262 S C 0.932 175.518 174.600 -0.024 0.000 1.297 262 S CA -0.506 57.683 58.200 -0.017 0.000 1.052 262 S CB 0.703 63.907 63.200 0.007 0.000 0.917 262 S HN 0.207 nan 8.310 nan 0.000 0.492 263 R N 3.535 123.997 120.500 -0.064 0.000 2.357 263 R HA 0.057 4.397 4.340 -0.001 0.000 0.202 263 R C -0.506 175.395 176.300 -0.665 0.000 1.047 263 R CA 1.339 57.244 56.100 -0.324 0.000 1.034 263 R CB -0.442 29.603 30.300 -0.426 0.000 0.875 263 R HN 0.773 nan 8.270 nan 0.000 0.473 264 Y N -1.146 118.990 120.300 -0.273 0.000 2.721 264 Y HA 0.191 4.741 4.550 -0.001 0.000 0.251 264 Y C 0.942 176.868 175.900 0.043 0.000 1.136 264 Y CA -0.739 57.130 58.100 -0.384 0.000 1.142 264 Y CB 0.226 38.291 38.460 -0.658 0.000 1.212 264 Y HN 0.067 nan 8.280 nan 0.000 0.565 265 K N -0.549 119.964 120.400 0.189 0.000 2.288 265 K HA -0.070 4.249 4.320 -0.001 0.000 0.201 265 K C 0.253 177.014 176.600 0.269 0.000 1.048 265 K CA 1.663 58.112 56.287 0.270 0.000 0.956 265 K CB 0.140 32.792 32.500 0.253 0.000 0.746 265 K HN 0.120 nan 8.250 nan 0.000 0.461 266 D N 0.280 120.812 120.400 0.220 0.000 2.305 266 D HA -0.053 4.586 4.640 -0.001 0.000 0.206 266 D C 1.164 177.526 176.300 0.102 0.000 0.974 266 D CA 0.456 54.538 54.000 0.138 0.000 0.871 266 D CB -0.115 40.751 40.800 0.109 0.000 0.947 266 D HN 0.301 nan 8.370 nan 0.000 0.516 267 W N 0.596 121.825 121.300 -0.119 0.000 2.424 267 W HA -0.035 4.624 4.660 -0.001 0.000 0.264 267 W C 0.464 176.501 176.519 -0.804 0.000 1.229 267 W CA 0.479 57.582 57.345 -0.404 0.000 1.208 267 W CB -0.385 28.880 29.460 -0.325 0.000 1.127 267 W HN -0.145 nan 8.180 nan 0.000 0.588 268 F N -2.617 117.340 119.950 0.011 0.000 2.691 268 F HA 0.426 4.952 4.527 -0.001 0.000 0.334 268 F C -0.682 174.932 175.800 -0.310 0.000 1.107 268 F CA -1.882 56.035 58.000 -0.138 0.000 0.991 268 F CB 0.180 39.237 39.000 0.095 0.000 1.400 268 F HN -0.548 nan 8.300 nan 0.000 0.503 269 F N 2.765 122.897 119.950 0.304 0.000 2.309 269 F HA 0.444 4.971 4.527 -0.001 0.000 0.366 269 F C -0.486 175.427 175.800 0.188 0.000 1.104 269 F CA -0.837 57.276 58.000 0.188 0.000 1.179 269 F CB 0.052 39.136 39.000 0.139 0.000 1.437 269 F HN 0.001 nan 8.300 nan 0.000 0.528 270 I N -0.085 120.623 120.570 0.231 0.000 2.331 270 I HA 0.371 4.540 4.170 -0.001 0.000 0.292 270 I C 0.696 176.814 176.117 0.003 0.000 0.998 270 I CA -0.676 60.681 61.300 0.096 0.000 1.267 270 I CB 0.680 38.609 38.000 -0.117 0.000 1.386 270 I HN 0.494 nan 8.210 nan 0.000 0.476 271 E N 2.951 123.153 120.200 0.003 0.000 2.014 271 E HA 0.039 4.388 4.350 -0.001 0.000 0.190 271 E C -0.447 176.087 176.600 -0.111 0.000 0.980 271 E CA 1.051 57.437 56.400 -0.023 0.000 0.807 271 E CB 0.124 29.824 29.700 0.001 0.000 0.770 271 E HN 0.768 nan 8.360 nan 0.000 0.451 272 D N -1.709 118.591 120.400 -0.166 0.000 2.661 272 D HA 0.312 4.952 4.640 -0.001 0.000 0.228 272 D C -1.268 174.891 176.300 -0.236 0.000 1.210 272 D CA -0.576 53.312 54.000 -0.188 0.000 0.826 272 D CB 1.361 42.136 40.800 -0.042 0.000 1.542 272 D HN -0.143 nan 8.370 nan 0.000 0.447 273 F N 1.123 121.109 119.950 0.060 0.000 2.380 273 F HA 0.499 5.026 4.527 -0.001 0.000 0.321 273 F C -1.179 174.642 175.800 0.034 0.000 1.103 273 F CA -1.306 56.723 58.000 0.049 0.000 1.067 273 F CB -0.024 38.996 39.000 0.034 0.000 1.265 273 F HN 0.128 nan 8.300 nan 0.000 0.517 274 P HA 0.188 nan 4.420 nan 0.000 0.276 274 P C -0.900 176.569 177.300 0.282 0.000 1.261 274 P CA -0.405 62.882 63.100 0.311 0.000 0.800 274 P CB 0.863 32.647 31.700 0.141 0.000 1.066 275 V N 0.838 120.933 119.914 0.302 0.000 2.304 275 V HA -0.014 4.106 4.120 -0.001 0.000 0.239 275 V C 1.024 177.222 176.094 0.173 0.000 1.201 275 V CA 0.400 62.834 62.300 0.223 0.000 1.254 275 V CB -1.645 30.218 31.823 0.068 0.000 1.335 275 V HN 0.484 nan 8.190 nan 0.000 0.491 276 S N 4.134 119.935 115.700 0.168 0.000 2.549 276 S HA 0.182 4.651 4.470 -0.001 0.000 0.283 276 S C 1.063 175.743 174.600 0.133 0.000 1.320 276 S CA -0.452 57.813 58.200 0.109 0.000 1.058 276 S CB 0.401 63.631 63.200 0.050 0.000 0.882 276 S HN 0.910 nan 8.310 nan 0.000 0.498 277 K N 1.305 121.766 120.400 0.101 0.000 2.726 277 K HA 0.207 4.526 4.320 -0.001 0.000 0.209 277 K C 0.351 176.985 176.600 0.057 0.000 1.082 277 K CA -0.435 55.917 56.287 0.109 0.000 1.081 277 K CB 0.437 32.998 32.500 0.102 0.000 0.830 277 K HN 0.441 nan 8.250 nan 0.000 0.470 278 T N -0.572 114.001 114.554 0.030 0.000 2.888 278 T HA 0.046 4.395 4.350 -0.001 0.000 0.283 278 T C 0.783 175.481 174.700 -0.004 0.000 1.013 278 T CA -0.427 61.681 62.100 0.013 0.000 0.938 278 T CB 1.450 70.324 68.868 0.009 0.000 1.298 278 T HN 0.211 nan 8.240 nan 0.000 0.580 279 S N -0.159 115.538 115.700 -0.006 0.000 2.723 279 S HA 0.093 4.562 4.470 -0.001 0.000 0.231 279 S C 0.450 175.034 174.600 -0.027 0.000 0.967 279 S CA 0.257 58.450 58.200 -0.012 0.000 0.958 279 S CB -0.562 62.634 63.200 -0.007 0.000 0.778 279 S HN 0.471 nan 8.310 nan 0.000 0.537 280 R N 1.375 121.851 120.500 -0.041 0.000 2.515 280 R HA 0.275 4.614 4.340 -0.001 0.000 0.291 280 R C -0.879 175.347 176.300 -0.123 0.000 1.046 280 R CA -0.288 55.773 56.100 -0.065 0.000 0.914 280 R CB 1.166 31.438 30.300 -0.046 0.000 1.191 280 R HN 0.145 nan 8.270 nan 0.000 0.435 281 T N 1.782 116.235 114.554 -0.168 0.000 2.738 281 T HA 0.192 4.541 4.350 -0.001 0.000 0.293 281 T C 0.378 174.897 174.700 -0.302 0.000 0.913 281 T CA -0.670 61.233 62.100 -0.329 0.000 1.103 281 T CB 0.240 68.947 68.868 -0.269 0.000 0.880 281 T HN 0.636 nan 8.240 nan 0.000 0.526 282 N N 2.466 120.942 118.700 -0.373 0.000 2.458 282 N HA 0.143 4.882 4.740 -0.001 0.000 0.274 282 N C -0.844 174.643 175.510 -0.038 0.000 1.242 282 N CA -0.685 52.269 53.050 -0.160 0.000 0.904 282 N CB -0.104 38.342 38.487 -0.069 0.000 1.206 282 N HN 0.839 nan 8.380 nan 0.000 0.510 283 Y N -2.843 117.494 120.300 0.061 0.000 2.565 283 Y HA 0.473 5.022 4.550 -0.001 0.000 0.330 283 Y C -0.569 175.397 175.900 0.110 0.000 1.150 283 Y CA -1.557 56.605 58.100 0.104 0.000 1.055 283 Y CB 0.406 38.963 38.460 0.162 0.000 1.337 283 Y HN -0.108 nan 8.280 nan 0.000 0.457 284 E N 1.817 122.261 120.200 0.408 0.000 2.376 284 E HA 0.418 4.767 4.350 -0.001 0.000 0.266 284 E C -0.380 176.421 176.600 0.334 0.000 1.009 284 E CA 0.604 57.169 56.400 0.275 0.000 0.902 284 E CB 0.741 30.543 29.700 0.169 0.000 0.972 284 E HN 0.840 nan 8.360 nan 0.000 0.439 285 T N 0.675 115.355 114.554 0.210 0.000 2.778 285 T HA 0.329 4.678 4.350 -0.001 0.000 0.293 285 T C -0.304 174.472 174.700 0.127 0.000 1.144 285 T CA -0.918 61.305 62.100 0.205 0.000 1.010 285 T CB 0.448 69.441 68.868 0.208 0.000 1.325 285 T HN 0.351 nan 8.240 nan 0.000 0.515 286 F N 2.267 122.183 119.950 -0.057 0.000 2.589 286 F HA 0.392 4.918 4.527 -0.001 0.000 0.352 286 F C 1.313 177.062 175.800 -0.085 0.000 1.168 286 F CA 0.986 58.919 58.000 -0.110 0.000 1.353 286 F CB -0.433 38.324 39.000 -0.405 0.000 1.116 286 F HN 1.349 nan 8.300 nan 0.000 0.608 287 A N 2.204 124.449 122.820 -0.960 0.000 5.568 287 A HA -0.253 4.066 4.320 -0.001 0.000 0.322 287 A C -0.388 177.059 177.584 -0.228 0.000 1.802 287 A CA 1.167 52.845 52.037 -0.598 0.000 0.727 287 A CB -2.049 16.696 19.000 -0.424 0.000 1.362 287 A HN 1.312 nan 8.150 nan 0.000 0.396 288 V N 0.321 120.160 119.914 -0.127 0.000 2.376 288 V HA 0.559 4.678 4.120 -0.001 0.000 0.287 288 V C 0.014 176.087 176.094 -0.036 0.000 1.015 288 V CA 0.750 63.006 62.300 -0.074 0.000 0.834 288 V CB 0.549 32.330 31.823 -0.071 0.000 1.001 288 V HN 1.034 nan 8.190 nan 0.000 0.428 289 Q N 2.486 122.268 119.800 -0.030 0.000 2.459 289 Q HA -0.124 4.215 4.340 -0.001 0.000 0.314 289 Q C -0.463 175.538 176.000 0.002 0.000 1.432 289 Q CA 0.233 56.017 55.803 -0.031 0.000 0.823 289 Q CB -0.879 27.835 28.738 -0.040 0.000 1.124 289 Q HN 0.594 nan 8.270 nan 0.000 0.392 290 V N 1.160 121.097 119.914 0.039 0.000 2.225 290 V HA 0.134 4.253 4.120 -0.001 0.000 0.264 290 V C -0.987 175.163 176.094 0.093 0.000 1.067 290 V CA -0.723 61.619 62.300 0.070 0.000 0.903 290 V CB 0.837 32.731 31.823 0.119 0.000 1.136 290 V HN 0.301 nan 8.190 nan 0.000 0.456 291 P HA -0.229 nan 4.420 nan 0.000 0.218 291 P C 1.430 178.857 177.300 0.211 0.000 1.146 291 P CA 1.769 64.967 63.100 0.165 0.000 0.820 291 P CB 0.493 32.250 31.700 0.095 0.000 0.778 292 A N 0.168 123.069 122.820 0.135 0.000 1.968 292 A HA -0.021 4.298 4.320 -0.001 0.000 0.217 292 A C 1.686 179.320 177.584 0.083 0.000 1.169 292 A CA 1.038 53.147 52.037 0.121 0.000 0.638 292 A CB -0.856 18.218 19.000 0.124 0.000 0.812 292 A HN 0.349 nan 8.150 nan 0.000 0.446 293 M N -0.183 119.444 119.600 0.046 0.000 1.987 293 M HA 0.405 4.884 4.480 -0.001 0.000 0.298 293 M C -3.177 173.137 176.300 0.022 0.000 0.892 293 M CA -2.025 53.276 55.300 0.002 0.000 0.885 293 M CB 1.959 34.456 32.600 -0.172 0.000 1.469 293 M HN -0.130 nan 8.290 nan 0.000 0.389 294 P HA 0.196 nan 4.420 nan 0.000 0.277 294 P C -1.158 176.291 177.300 0.247 0.000 1.240 294 P CA -0.325 62.765 63.100 -0.016 0.000 0.798 294 P CB 1.274 32.544 31.700 -0.718 0.000 0.979 295 K N 2.898 123.509 120.400 0.353 0.000 2.339 295 K HA 0.247 4.566 4.320 -0.001 0.000 0.286 295 K C -0.395 176.465 176.600 0.433 0.000 1.050 295 K CA -0.441 56.096 56.287 0.415 0.000 0.956 295 K CB -0.078 32.638 32.500 0.359 0.000 0.990 295 K HN 0.415 nan 8.250 nan 0.000 0.475 296 L N 4.525 125.870 121.223 0.203 0.000 2.349 296 L HA 0.288 4.627 4.340 -0.001 0.000 0.275 296 L C 0.787 177.595 176.870 -0.104 0.000 1.115 296 L CA -0.370 54.386 54.840 -0.139 0.000 0.820 296 L CB 0.958 42.860 42.059 -0.262 0.000 1.135 296 L HN 0.605 nan 8.230 nan 0.000 0.445 297 R N 1.600 121.838 120.500 -0.436 0.000 2.608 297 R HA 0.052 4.391 4.340 -0.001 0.000 0.277 297 R C 0.922 177.010 176.300 -0.354 0.000 1.341 297 R CA 0.011 55.853 56.100 -0.430 0.000 1.199 297 R CB 0.312 30.081 30.300 -0.885 0.000 1.156 297 R HN 0.820 nan 8.270 nan 0.000 0.558 298 T N -0.554 113.839 114.554 -0.268 0.000 3.160 298 T HA 0.001 4.351 4.350 -0.001 0.000 0.257 298 T C 0.883 175.490 174.700 -0.154 0.000 1.147 298 T CA 0.615 62.524 62.100 -0.319 0.000 1.064 298 T CB 0.104 68.592 68.868 -0.634 0.000 0.949 298 T HN 0.614 nan 8.240 nan 0.000 0.526 299 E N 1.144 121.274 120.200 -0.117 0.000 2.299 299 E HA 0.045 4.394 4.350 -0.001 0.000 0.193 299 E C 0.770 177.304 176.600 -0.111 0.000 0.998 299 E CA -0.121 56.245 56.400 -0.057 0.000 0.851 299 E CB 0.056 29.760 29.700 0.007 0.000 0.795 299 E HN 0.440 nan 8.360 nan 0.000 0.492 300 N N 1.949 120.528 118.700 -0.201 0.000 2.420 300 N HA -0.009 4.730 4.740 -0.001 0.000 0.262 300 N C -1.664 173.685 175.510 -0.269 0.000 1.144 300 N CA -1.504 51.405 53.050 -0.235 0.000 0.952 300 N CB 1.153 39.437 38.487 -0.338 0.000 1.081 300 N HN -0.125 nan 8.380 nan 0.000 0.480 301 P HA -0.192 nan 4.420 nan 0.000 0.217 301 P C 0.642 177.793 177.300 -0.249 0.000 1.151 301 P CA 1.463 64.442 63.100 -0.202 0.000 0.849 301 P CB 0.509 32.135 31.700 -0.123 0.000 0.787 302 E N -0.314 119.744 120.200 -0.237 0.000 2.031 302 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 302 E C 2.215 178.510 176.600 -0.507 0.000 0.994 302 E CA 1.128 57.407 56.400 -0.201 0.000 0.800 302 E CB -0.572 29.156 29.700 0.047 0.000 0.752 302 E HN 0.017 nan 8.360 nan 0.000 0.447 303 V N 1.537 120.895 119.914 -0.928 0.000 2.287 303 V HA -0.319 3.800 4.120 -0.001 0.000 0.248 303 V C 2.378 178.147 176.094 -0.542 0.000 1.053 303 V CA 2.090 63.767 62.300 -1.038 0.000 1.027 303 V CB -0.484 30.752 31.823 -0.978 0.000 0.646 303 V HN 0.237 nan 8.190 nan 0.000 0.447 304 K N 0.096 120.219 120.400 -0.461 0.000 2.059 304 K HA -0.310 4.009 4.320 -0.001 0.000 0.212 304 K C 2.169 178.288 176.600 -0.802 0.000 1.050 304 K CA 2.326 58.285 56.287 -0.547 0.000 0.927 304 K CB -0.199 31.970 32.500 -0.551 0.000 0.714 304 K HN 0.400 nan 8.250 nan 0.000 0.447 305 E N -0.383 119.510 120.200 -0.510 0.000 2.150 305 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 305 E C 1.715 178.262 176.600 -0.088 0.000 0.985 305 E CA 1.182 57.399 56.400 -0.305 0.000 0.814 305 E CB -0.347 29.274 29.700 -0.132 0.000 0.752 305 E HN 0.479 nan 8.360 nan 0.000 0.466 306 Y N 0.700 120.894 120.300 -0.177 0.000 2.070 306 Y HA -0.222 4.327 4.550 -0.001 0.000 0.279 306 Y C 1.930 177.784 175.900 -0.077 0.000 1.134 306 Y CA 2.171 60.255 58.100 -0.027 0.000 1.113 306 Y CB -0.423 38.064 38.460 0.045 0.000 0.981 306 Y HN 0.013 nan 8.280 nan 0.000 0.487 307 L N -0.622 120.554 121.223 -0.078 0.000 2.051 307 L HA -0.324 4.016 4.340 -0.001 0.000 0.214 307 L C 2.524 179.380 176.870 -0.023 0.000 1.076 307 L CA 1.892 56.525 54.840 -0.347 0.000 0.758 307 L CB -0.978 40.738 42.059 -0.572 0.000 0.890 307 L HN 0.337 nan 8.230 nan 0.000 0.433 308 F N 0.085 119.949 119.950 -0.144 0.000 2.171 308 F HA -0.253 4.273 4.527 -0.001 0.000 0.300 308 F C 2.358 178.171 175.800 0.022 0.000 1.090 308 F CA 0.555 58.546 58.000 -0.015 0.000 1.293 308 F CB -0.214 38.762 39.000 -0.041 0.000 1.013 308 F HN 0.189 nan 8.300 nan 0.000 0.486 309 D N 0.137 120.623 120.400 0.144 0.000 2.117 309 D HA -0.128 4.511 4.640 -0.001 0.000 0.198 309 D C 2.366 178.718 176.300 0.086 0.000 0.982 309 D CA 0.885 54.928 54.000 0.072 0.000 0.828 309 D CB -0.535 40.244 40.800 -0.035 0.000 0.967 309 D HN 0.007 nan 8.370 nan 0.000 0.464 310 V N 1.577 121.491 119.914 -0.000 0.000 2.250 310 V HA -0.325 3.795 4.120 -0.001 0.000 0.250 310 V C 2.551 178.948 176.094 0.504 0.000 1.060 310 V CA 2.173 64.572 62.300 0.164 0.000 1.030 310 V CB -1.027 30.878 31.823 0.137 0.000 0.643 310 V HN 0.218 nan 8.190 nan 0.000 0.445 311 A N -0.365 122.737 122.820 0.470 0.000 1.883 311 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 311 A C 2.376 180.317 177.584 0.594 0.000 1.186 311 A CA 2.016 54.406 52.037 0.587 0.000 0.624 311 A CB -0.567 18.605 19.000 0.286 0.000 0.822 311 A HN 0.516 nan 8.150 nan 0.000 0.444 312 R N -1.925 118.786 120.500 0.352 0.000 2.096 312 R HA -0.176 4.163 4.340 -0.001 0.000 0.240 312 R C 2.063 178.511 176.300 0.246 0.000 1.139 312 R CA 1.798 58.052 56.100 0.257 0.000 0.952 312 R CB -0.600 29.806 30.300 0.176 0.000 0.854 312 R HN 0.644 nan 8.270 nan 0.000 0.436 313 F N -0.014 119.977 119.950 0.068 0.000 2.046 313 F HA -0.264 4.263 4.527 -0.001 0.000 0.297 313 F C 1.796 177.541 175.800 -0.092 0.000 1.123 313 F CA 1.642 59.568 58.000 -0.124 0.000 1.199 313 F CB -0.322 38.452 39.000 -0.376 0.000 0.972 313 F HN 0.032 nan 8.300 nan 0.000 0.474 314 W N 0.125 121.557 121.300 0.221 0.000 2.392 314 W HA -0.145 4.514 4.660 -0.001 0.000 0.279 314 W C 2.305 178.894 176.519 0.116 0.000 1.225 314 W CA 0.736 58.159 57.345 0.131 0.000 1.233 314 W CB -0.355 29.400 29.460 0.490 0.000 1.122 314 W HN 0.024 nan 8.180 nan 0.000 0.561 315 M N -0.166 119.692 119.600 0.430 0.000 2.562 315 M HA -0.091 4.388 4.480 -0.001 0.000 0.257 315 M C 1.318 177.705 176.300 0.146 0.000 1.099 315 M CA 1.284 56.765 55.300 0.301 0.000 1.099 315 M CB -0.271 32.551 32.600 0.370 0.000 1.427 315 M HN 0.081 nan 8.290 nan 0.000 0.489 316 E N -0.011 120.214 120.200 0.042 0.000 2.299 316 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 316 E C 1.816 178.386 176.600 -0.050 0.000 0.998 316 E CA 0.494 56.879 56.400 -0.026 0.000 0.851 316 E CB 0.156 29.802 29.700 -0.090 0.000 0.795 316 E HN 0.451 nan 8.360 nan 0.000 0.492 317 Q N -0.481 119.284 119.800 -0.058 0.000 2.378 317 Q HA -0.000 4.339 4.340 -0.001 0.000 0.205 317 Q C 1.328 177.399 176.000 0.118 0.000 0.954 317 Q CA 1.040 56.871 55.803 0.047 0.000 0.901 317 Q CB 0.677 29.560 28.738 0.241 0.000 0.981 317 Q HN 0.425 nan 8.270 nan 0.000 0.483 318 G N 1.299 110.174 108.800 0.126 0.000 2.138 318 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.193 318 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.193 318 G C 0.279 175.275 174.900 0.160 0.000 0.998 318 G CA 0.109 45.293 45.100 0.140 0.000 0.668 318 G HN 0.383 nan 8.290 nan 0.000 0.516 319 I N -2.390 118.270 120.570 0.150 0.000 3.494 319 I HA 0.516 4.685 4.170 -0.001 0.000 0.266 319 I C 0.699 176.844 176.117 0.047 0.000 1.264 319 I CA 0.229 61.577 61.300 0.081 0.000 1.230 319 I CB 0.476 38.470 38.000 -0.010 0.000 1.420 319 I HN -0.051 nan 8.210 nan 0.000 0.675 320 D N 0.747 121.149 120.400 0.003 0.000 2.500 320 D HA 0.368 5.007 4.640 -0.001 0.000 0.217 320 D C 0.425 176.802 176.300 0.129 0.000 1.159 320 D CA 0.644 54.659 54.000 0.025 0.000 0.828 320 D CB 1.123 41.849 40.800 -0.124 0.000 1.039 320 D HN 0.928 nan 8.370 nan 0.000 0.512 321 G N 0.350 109.133 108.800 -0.028 0.000 2.320 321 G HA2 0.305 4.264 3.960 -0.001 0.000 0.297 321 G HA3 0.305 4.264 3.960 -0.001 0.000 0.297 321 G C -2.257 172.517 174.900 -0.209 0.000 1.344 321 G CA -1.074 44.053 45.100 0.045 0.000 0.851 321 G HN -0.002 nan 8.290 nan 0.000 0.567 322 W N -0.399 121.014 121.300 0.189 0.000 2.936 322 W HA 0.820 5.479 4.660 -0.001 0.000 0.338 322 W C -0.085 176.414 176.519 -0.035 0.000 1.121 322 W CA -0.974 56.450 57.345 0.131 0.000 1.209 322 W CB 1.900 31.475 29.460 0.191 0.000 1.420 322 W HN 0.450 nan 8.180 nan 0.000 0.516 323 R N 2.717 123.321 120.500 0.174 0.000 2.295 323 R HA 0.507 4.846 4.340 -0.001 0.000 0.324 323 R C -1.192 175.035 176.300 -0.121 0.000 0.968 323 R CA -0.788 55.243 56.100 -0.114 0.000 0.837 323 R CB 0.706 30.955 30.300 -0.084 0.000 1.133 323 R HN 0.725 nan 8.270 nan 0.000 0.450 324 L N 4.197 125.202 121.223 -0.363 0.000 2.278 324 L HA 0.319 4.658 4.340 -0.001 0.000 0.287 324 L C 0.583 177.268 176.870 -0.308 0.000 1.072 324 L CA -0.695 53.892 54.840 -0.422 0.000 0.819 324 L CB 0.675 42.222 42.059 -0.854 0.000 1.176 324 L HN 0.530 nan 8.230 nan 0.000 0.435 325 N N 2.294 120.901 118.700 -0.156 0.000 2.444 325 N HA 0.277 5.016 4.740 -0.001 0.000 0.271 325 N C 0.435 175.892 175.510 -0.088 0.000 1.069 325 N CA -0.485 52.508 53.050 -0.095 0.000 0.965 325 N CB 1.123 39.624 38.487 0.024 0.000 1.092 325 N HN 0.400 nan 8.380 nan 0.000 0.476 326 V N 1.674 121.532 119.914 -0.094 0.000 4.112 326 V HA -0.348 3.771 4.120 -0.001 0.000 0.233 326 V C 1.666 177.756 176.094 -0.006 0.000 0.458 326 V CA 1.216 63.508 62.300 -0.013 0.000 0.909 326 V CB -2.986 28.941 31.823 0.174 0.000 0.963 326 V HN 0.875 nan 8.190 nan 0.000 1.260 327 A N 1.071 123.837 122.820 -0.089 0.000 2.032 327 A HA -0.249 4.071 4.320 -0.001 0.000 0.221 327 A C 1.824 179.468 177.584 0.100 0.000 1.165 327 A CA 2.145 54.199 52.037 0.027 0.000 0.645 327 A CB -0.756 17.937 19.000 -0.511 0.000 0.807 327 A HN 1.161 nan 8.150 nan 0.000 0.453 328 N N -0.995 117.606 118.700 -0.164 0.000 2.609 328 N HA -0.076 4.663 4.740 -0.001 0.000 0.190 328 N C 0.751 176.337 175.510 0.125 0.000 1.157 328 N CA 0.827 53.749 53.050 -0.212 0.000 0.918 328 N CB -0.104 38.198 38.487 -0.308 0.000 0.978 328 N HN 0.624 nan 8.380 nan 0.000 0.448 329 E N 0.272 120.544 120.200 0.121 0.000 2.548 329 E HA 0.160 4.509 4.350 -0.001 0.000 0.206 329 E C -0.820 175.815 176.600 0.058 0.000 1.005 329 E CA -0.227 56.230 56.400 0.095 0.000 0.951 329 E CB 1.127 30.856 29.700 0.048 0.000 1.035 329 E HN 0.130 nan 8.360 nan 0.000 0.470 330 V N 3.218 123.187 119.914 0.092 0.000 2.495 330 V HA 0.043 4.162 4.120 -0.001 0.000 0.298 330 V C 0.044 176.085 176.094 -0.089 0.000 1.031 330 V CA -1.164 61.045 62.300 -0.152 0.000 0.871 330 V CB 1.664 33.176 31.823 -0.517 0.000 0.988 330 V HN 0.237 nan 8.190 nan 0.000 0.432 331 D N 2.707 123.041 120.400 -0.109 0.000 2.478 331 D HA -0.116 4.523 4.640 -0.001 0.000 0.234 331 D C 0.726 177.080 176.300 0.090 0.000 1.154 331 D CA 0.259 54.273 54.000 0.024 0.000 0.874 331 D CB 0.907 41.741 40.800 0.056 0.000 1.198 331 D HN 0.646 nan 8.370 nan 0.000 0.455 332 H N 1.477 120.693 119.070 0.244 0.000 2.387 332 H HA -0.035 4.521 4.556 -0.001 0.000 0.299 332 H C 2.152 177.623 175.328 0.238 0.000 1.090 332 H CA 2.146 58.364 56.048 0.283 0.000 1.332 332 H CB -0.048 29.773 29.762 0.098 0.000 1.386 332 H HN 0.654 nan 8.280 nan 0.000 0.516 333 A N 0.680 123.668 122.820 0.279 0.000 1.908 333 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 333 A C 2.135 179.858 177.584 0.230 0.000 1.181 333 A CA 1.652 53.809 52.037 0.200 0.000 0.627 333 A CB -1.013 18.066 19.000 0.131 0.000 0.818 333 A HN 0.470 nan 8.150 nan 0.000 0.445 334 F N -0.823 119.152 119.950 0.041 0.000 2.069 334 F HA -0.209 4.317 4.527 -0.001 0.000 0.298 334 F C 2.103 178.019 175.800 0.195 0.000 1.113 334 F CA 1.861 59.859 58.000 -0.004 0.000 1.214 334 F CB -0.571 38.222 39.000 -0.345 0.000 0.978 334 F HN 0.429 nan 8.300 nan 0.000 0.474 335 W N 0.214 121.876 121.300 0.604 0.000 2.402 335 W HA -0.091 4.568 4.660 -0.001 0.000 0.286 335 W C 2.684 179.397 176.519 0.324 0.000 1.221 335 W CA 0.587 58.252 57.345 0.534 0.000 1.257 335 W CB -0.369 29.382 29.460 0.484 0.000 1.120 335 W HN -0.141 nan 8.180 nan 0.000 0.551 336 R N 0.485 121.247 120.500 0.437 0.000 2.092 336 R HA -0.142 4.197 4.340 -0.001 0.000 0.231 336 R C 1.806 178.210 176.300 0.173 0.000 1.119 336 R CA 1.545 57.788 56.100 0.238 0.000 0.970 336 R CB -0.204 30.191 30.300 0.157 0.000 0.864 336 R HN 0.266 nan 8.270 nan 0.000 0.440 337 E N -0.731 119.577 120.200 0.181 0.000 2.170 337 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 337 E C 1.464 178.033 176.600 -0.051 0.000 0.981 337 E CA 0.539 57.005 56.400 0.110 0.000 0.830 337 E CB -0.027 29.800 29.700 0.212 0.000 0.775 337 E HN 0.178 nan 8.360 nan 0.000 0.470 338 F N 1.982 121.816 119.950 -0.192 0.000 2.134 338 F HA -0.161 4.365 4.527 -0.001 0.000 0.299 338 F C 2.282 178.004 175.800 -0.130 0.000 1.097 338 F CA 1.553 59.323 58.000 -0.383 0.000 1.264 338 F CB -0.048 39.016 39.000 0.107 0.000 1.001 338 F HN -0.198 nan 8.300 nan 0.000 0.479 339 R N 0.274 120.788 120.500 0.023 0.000 2.073 339 R HA -0.188 4.151 4.340 -0.001 0.000 0.234 339 R C 2.630 178.848 176.300 -0.137 0.000 1.134 339 R CA 1.649 57.710 56.100 -0.066 0.000 0.952 339 R CB -0.470 29.876 30.300 0.076 0.000 0.850 339 R HN 0.245 nan 8.270 nan 0.000 0.433 340 R N 0.485 120.932 120.500 -0.090 0.000 2.081 340 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 340 R C 2.347 178.573 176.300 -0.124 0.000 1.131 340 R CA 1.603 57.657 56.100 -0.077 0.000 0.960 340 R CB -0.334 29.946 30.300 -0.034 0.000 0.856 340 R HN 0.272 nan 8.270 nan 0.000 0.436 341 L N 0.491 121.578 121.223 -0.227 0.000 1.988 341 L HA -0.113 4.227 4.340 -0.001 0.000 0.207 341 L C 2.137 178.874 176.870 -0.222 0.000 1.071 341 L CA 1.609 56.304 54.840 -0.241 0.000 0.744 341 L CB -0.843 40.959 42.059 -0.429 0.000 0.893 341 L HN -0.069 nan 8.230 nan 0.000 0.433 342 V N 0.559 120.246 119.914 -0.378 0.000 2.250 342 V HA -0.331 3.788 4.120 -0.001 0.000 0.250 342 V C 2.743 178.784 176.094 -0.088 0.000 1.060 342 V CA 2.211 64.353 62.300 -0.263 0.000 1.030 342 V CB -0.930 30.594 31.823 -0.499 0.000 0.643 342 V HN 0.479 nan 8.190 nan 0.000 0.445 343 K N 0.576 120.921 120.400 -0.092 0.000 2.283 343 K HA -0.073 4.246 4.320 -0.001 0.000 0.202 343 K C 2.406 179.004 176.600 -0.003 0.000 1.048 343 K CA 1.480 57.757 56.287 -0.017 0.000 0.948 343 K CB -0.471 32.022 32.500 -0.012 0.000 0.742 343 K HN 0.722 nan 8.250 nan 0.000 0.458 344 S N 0.886 116.572 115.700 -0.023 0.000 2.371 344 S HA -0.035 4.435 4.470 -0.001 0.000 0.224 344 S C 2.189 176.798 174.600 0.015 0.000 1.029 344 S CA 0.475 58.673 58.200 -0.004 0.000 0.978 344 S CB -0.480 62.712 63.200 -0.013 0.000 0.833 344 S HN 0.144 nan 8.310 nan 0.000 0.466 345 L N 1.162 122.396 121.223 0.018 0.000 1.988 345 L HA 0.111 4.450 4.340 -0.001 0.000 0.207 345 L C 0.927 177.832 176.870 0.058 0.000 1.071 345 L CA 1.221 56.089 54.840 0.046 0.000 0.744 345 L CB -0.518 41.583 42.059 0.070 0.000 0.893 345 L HN 0.401 nan 8.230 nan 0.000 0.433 346 N N -0.592 118.149 118.700 0.069 0.000 2.577 346 N HA 0.164 4.903 4.740 -0.001 0.000 0.275 346 N C -2.063 173.500 175.510 0.090 0.000 1.091 346 N CA -2.009 51.091 53.050 0.082 0.000 0.843 346 N CB 1.430 39.980 38.487 0.104 0.000 1.295 346 N HN -0.208 nan 8.380 nan 0.000 0.530 347 P HA -0.043 nan 4.420 nan 0.000 0.223 347 P C -0.284 177.087 177.300 0.118 0.000 1.144 347 P CA 1.018 64.166 63.100 0.080 0.000 0.783 347 P CB 0.510 32.248 31.700 0.064 0.000 0.771 348 D N -0.595 119.902 120.400 0.163 0.000 2.368 348 D HA 0.220 4.860 4.640 -0.001 0.000 0.218 348 D C 0.563 177.108 176.300 0.408 0.000 1.112 348 D CA -0.111 54.059 54.000 0.283 0.000 0.834 348 D CB 0.188 41.175 40.800 0.311 0.000 0.953 348 D HN 0.091 nan 8.370 nan 0.000 0.505 349 A N 0.854 123.837 122.820 0.271 0.000 2.366 349 A HA 0.379 4.699 4.320 -0.001 0.000 0.272 349 A C -0.092 177.662 177.584 0.284 0.000 1.135 349 A CA -0.349 51.863 52.037 0.292 0.000 0.804 349 A CB 0.418 19.556 19.000 0.229 0.000 1.064 349 A HN 0.199 nan 8.150 nan 0.000 0.499 350 L N 2.785 124.219 121.223 0.351 0.000 2.357 350 L HA 0.637 4.976 4.340 -0.001 0.000 0.273 350 L C -0.851 176.138 176.870 0.199 0.000 1.080 350 L CA -0.078 54.893 54.840 0.217 0.000 0.803 350 L CB 1.088 43.278 42.059 0.219 0.000 1.174 350 L HN 0.551 nan 8.230 nan 0.000 0.443 351 I N 5.291 125.923 120.570 0.104 0.000 2.448 351 I HA 0.377 4.546 4.170 -0.001 0.000 0.281 351 I C -0.722 175.305 176.117 -0.149 0.000 1.027 351 I CA -0.206 61.141 61.300 0.078 0.000 1.111 351 I CB 1.637 39.737 38.000 0.166 0.000 1.236 351 I HN 0.180 nan 8.210 nan 0.000 0.452 352 V N 4.875 124.576 119.914 -0.356 0.000 2.483 352 V HA 0.848 4.967 4.120 -0.001 0.000 0.295 352 V C 0.654 176.281 176.094 -0.779 0.000 1.035 352 V CA -0.563 61.353 62.300 -0.639 0.000 0.896 352 V CB 1.626 32.781 31.823 -1.114 0.000 0.986 352 V HN 0.798 nan 8.190 nan 0.000 0.447 353 G N 2.154 110.458 108.800 -0.827 0.000 2.471 353 G HA2 0.656 4.615 3.960 -0.001 0.000 0.332 353 G HA3 0.656 4.615 3.960 -0.001 0.000 0.332 353 G C -0.849 173.733 174.900 -0.530 0.000 1.176 353 G CA -0.410 44.074 45.100 -1.028 0.000 0.949 353 G HN 0.739 nan 8.290 nan 0.000 0.488 354 E N 0.325 120.259 120.200 -0.443 0.000 2.593 354 E HA 0.441 4.791 4.350 -0.001 0.000 0.232 354 E C -1.269 175.249 176.600 -0.137 0.000 1.026 354 E CA -0.523 55.759 56.400 -0.197 0.000 0.772 354 E CB 0.543 30.103 29.700 -0.233 0.000 1.310 354 E HN 0.209 nan 8.360 nan 0.000 0.413 355 I N 2.627 123.220 120.570 0.039 0.000 2.509 355 I HA 0.276 4.445 4.170 -0.001 0.000 0.293 355 I C -0.296 176.115 176.117 0.491 0.000 1.020 355 I CA -0.294 61.014 61.300 0.013 0.000 1.088 355 I CB 1.319 39.114 38.000 -0.340 0.000 1.267 355 I HN 0.588 nan 8.210 nan 0.000 0.430 356 W N 6.887 128.149 121.300 -0.064 0.000 2.564 356 W HA 0.238 4.897 4.660 -0.002 0.000 0.414 356 W C -0.223 176.286 176.519 -0.016 0.000 0.700 356 W CA -0.216 57.032 57.345 -0.162 0.000 2.430 356 W CB -0.035 29.297 29.460 -0.214 0.000 1.529 356 W HN 0.623 nan 8.180 nan 0.000 0.795 357 H N -2.013 117.288 119.070 0.385 0.000 2.921 357 H HA -0.010 4.545 4.556 -0.001 0.000 0.287 357 H C -0.821 174.787 175.328 0.467 0.000 1.434 357 H CA -1.039 55.252 56.048 0.405 0.000 1.178 357 H CB -0.012 29.899 29.762 0.249 0.000 1.836 357 H HN -0.191 nan 8.280 nan 0.000 0.495 358 D N 0.531 121.214 120.400 0.472 0.000 2.982 358 D HA 0.010 4.650 4.640 -0.001 0.000 0.222 358 D C 0.564 177.113 176.300 0.415 0.000 1.124 358 D CA 1.074 55.330 54.000 0.427 0.000 0.810 358 D CB 0.269 41.290 40.800 0.368 0.000 1.152 358 D HN 0.638 nan 8.370 nan 0.000 0.538 359 A N 3.041 126.103 122.820 0.402 0.000 2.545 359 A HA 0.092 4.411 4.320 -0.001 0.000 0.277 359 A C 1.791 179.481 177.584 0.176 0.000 1.301 359 A CA 0.281 52.522 52.037 0.341 0.000 0.935 359 A CB -0.066 18.988 19.000 0.089 0.000 1.093 359 A HN 0.518 nan 8.150 nan 0.000 0.519 360 S N -0.746 115.065 115.700 0.186 0.000 2.419 360 S HA -0.109 4.361 4.470 -0.001 0.000 0.235 360 S C 1.849 176.438 174.600 -0.017 0.000 1.019 360 S CA 1.371 59.626 58.200 0.093 0.000 0.982 360 S CB -0.728 62.636 63.200 0.274 0.000 0.789 360 S HN 0.693 nan 8.310 nan 0.000 0.490 361 G N -0.194 108.533 108.800 -0.122 0.000 2.509 361 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.218 361 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.218 361 G C 0.887 175.442 174.900 -0.574 0.000 1.124 361 G CA 0.316 45.131 45.100 -0.476 0.000 0.776 361 G HN 0.652 nan 8.290 nan 0.000 0.547 362 W N -0.498 120.732 121.300 -0.116 0.000 2.870 362 W HA 0.446 5.105 4.660 -0.001 0.000 0.358 362 W C 0.392 176.700 176.519 -0.352 0.000 1.043 362 W CA -0.360 56.776 57.345 -0.348 0.000 1.692 362 W CB 0.344 29.410 29.460 -0.658 0.000 1.100 362 W HN 0.032 nan 8.180 nan 0.000 0.557 363 L N 0.799 121.993 121.223 -0.049 0.000 3.154 363 L HA 0.215 4.554 4.340 -0.001 0.000 0.266 363 L C 1.278 178.189 176.870 0.068 0.000 1.300 363 L CA -0.095 54.745 54.840 -0.001 0.000 1.028 363 L CB 0.088 42.044 42.059 -0.173 0.000 1.412 363 L HN -0.201 nan 8.230 nan 0.000 0.564 364 M N -0.433 119.086 119.600 -0.135 0.000 2.441 364 M HA 0.290 4.770 4.480 -0.001 0.000 0.244 364 M C 1.390 177.356 176.300 -0.556 0.000 1.122 364 M CA 0.517 55.721 55.300 -0.159 0.000 1.041 364 M CB 0.609 33.138 32.600 -0.119 0.000 1.438 364 M HN 0.304 nan 8.290 nan 0.000 0.484 365 G N 0.000 108.110 108.800 -1.151 0.000 2.184 365 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.206 365 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.206 365 G C 0.348 174.820 174.900 -0.713 0.000 0.995 365 G CA 0.373 44.399 45.100 -1.789 0.000 0.651 365 G HN 0.543 nan 8.290 nan 0.000 0.511 366 D N -0.458 119.697 120.400 -0.409 0.000 2.433 366 D HA 0.241 4.880 4.640 -0.001 0.000 0.211 366 D C 1.172 177.415 176.300 -0.094 0.000 1.114 366 D CA 0.523 54.406 54.000 -0.194 0.000 0.837 366 D CB 0.229 40.951 40.800 -0.130 0.000 0.984 366 D HN 0.550 nan 8.370 nan 0.000 0.505 367 Q N -0.883 118.836 119.800 -0.135 0.000 2.078 367 Q HA 0.278 4.617 4.340 -0.001 0.000 0.183 367 Q C -0.475 175.576 176.000 0.086 0.000 0.636 367 Q CA -0.615 55.166 55.803 -0.035 0.000 0.587 367 Q CB 0.569 29.171 28.738 -0.227 0.000 2.225 367 Q HN -0.004 nan 8.270 nan 0.000 0.274 368 F N 1.837 121.791 119.950 0.007 0.000 2.378 368 F HA 0.164 4.690 4.527 -0.001 0.000 0.319 368 F C 1.096 176.919 175.800 0.039 0.000 1.155 368 F CA -0.681 57.293 58.000 -0.044 0.000 1.157 368 F CB 0.112 39.022 39.000 -0.151 0.000 1.252 368 F HN 0.259 nan 8.300 nan 0.000 0.550 369 D N -0.826 119.721 120.400 0.244 0.000 2.327 369 D HA 0.052 4.691 4.640 -0.001 0.000 0.205 369 D C 0.684 177.042 176.300 0.096 0.000 0.989 369 D CA 0.955 55.087 54.000 0.220 0.000 0.873 369 D CB 0.516 41.366 40.800 0.084 0.000 0.955 369 D HN 0.477 nan 8.370 nan 0.000 0.515 370 S N -1.005 114.693 115.700 -0.002 0.000 2.671 370 S HA 0.493 4.962 4.470 -0.001 0.000 0.270 370 S C -1.068 173.419 174.600 -0.188 0.000 1.166 370 S CA -0.479 57.659 58.200 -0.104 0.000 0.868 370 S CB 1.314 64.405 63.200 -0.182 0.000 1.190 370 S HN 0.030 nan 8.310 nan 0.000 0.494 371 V N -2.257 117.539 119.914 -0.197 0.000 3.181 371 V HA 0.711 4.830 4.120 -0.001 0.000 0.307 371 V C -0.848 175.183 176.094 -0.104 0.000 1.310 371 V CA -1.377 60.808 62.300 -0.191 0.000 1.067 371 V CB 1.547 33.336 31.823 -0.057 0.000 1.081 371 V HN 0.988 nan 8.190 nan 0.000 0.453 372 M N 2.897 122.519 119.600 0.036 0.000 2.217 372 M HA 0.344 4.823 4.480 -0.001 0.000 0.354 372 M C 0.118 176.521 176.300 0.171 0.000 1.225 372 M CA 0.189 55.617 55.300 0.213 0.000 1.137 372 M CB -0.204 32.666 32.600 0.451 0.000 1.576 372 M HN 0.861 nan 8.290 nan 0.000 0.461 373 N N 3.287 122.069 118.700 0.137 0.000 3.124 373 N HA 0.005 4.744 4.740 -0.001 0.000 0.284 373 N C 0.590 176.101 175.510 0.001 0.000 1.209 373 N CA -0.115 52.956 53.050 0.035 0.000 1.149 373 N CB -0.187 38.340 38.487 0.066 0.000 1.434 373 N HN 0.524 nan 8.380 nan 0.000 0.529 374 Y N 0.556 120.720 120.300 -0.227 0.000 2.403 374 Y HA -0.037 4.513 4.550 -0.001 0.000 0.291 374 Y C 1.364 177.126 175.900 -0.230 0.000 1.143 374 Y CA 0.853 58.682 58.100 -0.452 0.000 1.257 374 Y CB -0.330 37.324 38.460 -1.342 0.000 0.984 374 Y HN 0.271 nan 8.280 nan 0.000 0.550 375 L N -0.979 119.877 121.223 -0.611 0.000 2.156 375 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 375 L C 2.361 179.164 176.870 -0.113 0.000 1.095 375 L CA 1.331 55.949 54.840 -0.370 0.000 0.770 375 L CB -0.532 41.254 42.059 -0.455 0.000 0.914 375 L HN 0.373 nan 8.230 nan 0.000 0.439 376 F N 0.750 120.615 119.950 -0.143 0.000 2.163 376 F HA -0.184 4.343 4.527 -0.001 0.000 0.297 376 F C 2.778 178.603 175.800 0.042 0.000 1.094 376 F CA 1.409 59.392 58.000 -0.028 0.000 1.290 376 F CB -0.156 38.858 39.000 0.024 0.000 1.017 376 F HN -0.147 nan 8.300 nan 0.000 0.483 377 R N 0.624 121.161 120.500 0.061 0.000 2.066 377 R HA -0.159 4.180 4.340 -0.001 0.000 0.232 377 R C 2.167 178.459 176.300 -0.014 0.000 1.131 377 R CA 2.035 58.141 56.100 0.008 0.000 0.955 377 R CB -0.472 29.928 30.300 0.166 0.000 0.851 377 R HN 0.392 nan 8.270 nan 0.000 0.432 378 E N -0.099 120.111 120.200 0.016 0.000 2.130 378 E HA -0.179 4.170 4.350 -0.001 0.000 0.196 378 E C 2.010 178.607 176.600 -0.005 0.000 0.998 378 E CA 1.698 58.114 56.400 0.027 0.000 0.806 378 E CB -0.020 29.703 29.700 0.038 0.000 0.738 378 E HN 0.310 nan 8.360 nan 0.000 0.459 379 S N 0.352 116.010 115.700 -0.071 0.000 2.406 379 S HA -0.104 4.365 4.470 -0.001 0.000 0.228 379 S C 2.265 176.907 174.600 0.071 0.000 1.020 379 S CA 1.106 59.281 58.200 -0.043 0.000 0.965 379 S CB 0.065 63.149 63.200 -0.193 0.000 0.798 379 S HN 0.332 nan 8.310 nan 0.000 0.488 380 V N -0.842 119.049 119.914 -0.038 0.000 2.951 380 V HA 0.172 4.291 4.120 -0.001 0.000 0.255 380 V C 1.773 178.055 176.094 0.313 0.000 1.088 380 V CA 0.835 63.200 62.300 0.108 0.000 1.109 380 V CB -0.564 31.217 31.823 -0.070 0.000 0.724 380 V HN 0.284 nan 8.190 nan 0.000 0.471 381 I N 0.459 121.188 120.570 0.265 0.000 2.439 381 I HA 0.039 4.208 4.170 -0.001 0.000 0.251 381 I C 2.680 178.863 176.117 0.110 0.000 1.139 381 I CA 1.390 62.881 61.300 0.318 0.000 1.438 381 I CB -0.195 37.949 38.000 0.240 0.000 1.085 381 I HN 0.166 nan 8.210 nan 0.000 0.427 382 R N -1.657 118.878 120.500 0.059 0.000 2.317 382 R HA 0.066 4.405 4.340 -0.001 0.000 0.208 382 R C 1.423 177.700 176.300 -0.037 0.000 0.914 382 R CA 0.272 56.371 56.100 -0.000 0.000 1.060 382 R CB 0.149 30.448 30.300 -0.002 0.000 1.015 382 R HN 0.235 nan 8.270 nan 0.000 0.498 383 F N -1.376 118.369 119.950 -0.342 0.000 2.553 383 F HA 0.244 4.770 4.527 -0.001 0.000 0.282 383 F C 0.883 176.250 175.800 -0.722 0.000 1.089 383 F CA 0.439 58.015 58.000 -0.707 0.000 1.411 383 F CB 0.335 38.471 39.000 -1.439 0.000 1.125 383 F HN -0.167 nan 8.300 nan 0.000 0.610 384 F N -0.745 119.027 119.950 -0.296 0.000 2.559 384 F HA 0.324 4.850 4.527 -0.001 0.000 0.286 384 F C 2.201 177.830 175.800 -0.285 0.000 1.108 384 F CA 0.650 58.436 58.000 -0.355 0.000 1.436 384 F CB -0.466 38.461 39.000 -0.121 0.000 1.130 384 F HN 0.004 nan 8.300 nan 0.000 0.584 385 A N 0.137 122.925 122.820 -0.054 0.000 1.884 385 A HA -0.048 4.272 4.320 -0.001 0.000 0.212 385 A C 2.118 179.609 177.584 -0.156 0.000 1.265 385 A CA 1.711 53.626 52.037 -0.203 0.000 0.626 385 A CB -1.210 17.567 19.000 -0.372 0.000 0.943 385 A HN 0.270 nan 8.150 nan 0.000 0.466 386 T N -4.316 110.170 114.554 -0.115 0.000 3.057 386 T HA 0.382 4.731 4.350 -0.001 0.000 0.254 386 T C 1.395 176.042 174.700 -0.087 0.000 1.094 386 T CA 1.219 63.266 62.100 -0.088 0.000 1.088 386 T CB 0.054 68.888 68.868 -0.058 0.000 0.934 386 T HN 1.804 nan 8.240 nan 0.000 0.497 387 G N 1.665 110.393 108.800 -0.121 0.000 2.168 387 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.257 387 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.257 387 G C 0.560 175.420 174.900 -0.067 0.000 0.997 387 G CA 0.573 45.600 45.100 -0.122 0.000 0.708 387 G HN 0.610 nan 8.290 nan 0.000 0.520 388 E N -0.595 119.572 120.200 -0.055 0.000 2.153 388 E HA 0.040 4.389 4.350 -0.001 0.000 0.194 388 E C 1.656 178.229 176.600 -0.045 0.000 0.988 388 E CA 1.187 57.564 56.400 -0.039 0.000 0.811 388 E CB 0.027 29.707 29.700 -0.033 0.000 0.746 388 E HN 0.930 nan 8.360 nan 0.000 0.466 389 I N -1.386 119.154 120.570 -0.050 0.000 2.846 389 I HA 0.402 4.571 4.170 -0.001 0.000 0.307 389 I C -0.115 175.996 176.117 -0.009 0.000 1.053 389 I CA -1.336 59.900 61.300 -0.107 0.000 1.050 389 I CB 1.500 39.417 38.000 -0.137 0.000 1.239 389 I HN -0.144 nan 8.210 nan 0.000 0.439 390 H N 2.908 122.014 119.070 0.059 0.000 2.580 390 H HA 0.736 5.291 4.556 -0.001 0.000 0.324 390 H C 1.004 176.409 175.328 0.129 0.000 1.436 390 H CA -0.385 55.732 56.048 0.114 0.000 1.464 390 H CB 0.552 30.343 29.762 0.050 0.000 1.752 390 H HN 0.694 nan 8.280 nan 0.000 0.726 391 A N -0.057 123.025 122.820 0.436 0.000 1.940 391 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 391 A C 1.879 179.468 177.584 0.009 0.000 1.176 391 A CA 1.852 53.987 52.037 0.163 0.000 0.631 391 A CB -0.922 18.260 19.000 0.304 0.000 0.814 391 A HN 0.850 nan 8.150 nan 0.000 0.446 392 E N -1.153 119.201 120.200 0.256 0.000 2.152 392 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 392 E C 2.187 178.771 176.600 -0.027 0.000 0.983 392 E CA 1.081 57.555 56.400 0.123 0.000 0.818 392 E CB -0.083 29.735 29.700 0.196 0.000 0.758 392 E HN 0.532 nan 8.360 nan 0.000 0.467 393 R N 0.729 121.138 120.500 -0.150 0.000 2.153 393 R HA -0.046 4.293 4.340 -0.001 0.000 0.218 393 R C 1.740 177.877 176.300 -0.273 0.000 1.072 393 R CA 0.762 56.698 56.100 -0.274 0.000 0.990 393 R CB -0.590 29.419 30.300 -0.486 0.000 0.889 393 R HN 0.178 nan 8.270 nan 0.000 0.452 394 F N 0.690 120.300 119.950 -0.567 0.000 2.084 394 F HA -0.158 4.368 4.527 -0.001 0.000 0.296 394 F C 1.930 177.275 175.800 -0.757 0.000 1.111 394 F CA 1.822 59.321 58.000 -0.835 0.000 1.224 394 F CB -0.260 37.799 39.000 -1.568 0.000 0.991 394 F HN 0.167 nan 8.300 nan 0.000 0.471 395 D N 0.643 120.591 120.400 -0.753 0.000 2.123 395 D HA -0.226 4.414 4.640 -0.001 0.000 0.196 395 D C 2.191 178.264 176.300 -0.378 0.000 0.992 395 D CA 1.558 55.159 54.000 -0.666 0.000 0.833 395 D CB -0.418 40.164 40.800 -0.364 0.000 0.954 395 D HN 0.356 nan 8.370 nan 0.000 0.455 396 A N 0.707 123.367 122.820 -0.267 0.000 1.858 396 A HA -0.201 4.118 4.320 -0.001 0.000 0.216 396 A C 2.182 179.655 177.584 -0.185 0.000 1.190 396 A CA 1.838 53.780 52.037 -0.158 0.000 0.617 396 A CB -0.703 18.233 19.000 -0.106 0.000 0.827 396 A HN 0.372 nan 8.150 nan 0.000 0.443 397 E N -0.755 119.291 120.200 -0.257 0.000 2.110 397 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 397 E C 1.899 178.324 176.600 -0.292 0.000 0.988 397 E CA 1.072 57.324 56.400 -0.248 0.000 0.804 397 E CB -0.258 29.287 29.700 -0.259 0.000 0.745 397 E HN 0.411 nan 8.360 nan 0.000 0.458 398 L N 0.809 121.775 121.223 -0.429 0.000 1.976 398 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 398 L C 2.460 179.215 176.870 -0.192 0.000 1.071 398 L CA 1.912 56.538 54.840 -0.357 0.000 0.746 398 L CB -1.074 40.661 42.059 -0.540 0.000 0.890 398 L HN 0.093 nan 8.230 nan 0.000 0.432 399 T N -0.784 113.658 114.554 -0.187 0.000 2.635 399 T HA -0.286 4.063 4.350 -0.001 0.000 0.267 399 T C 2.044 176.597 174.700 -0.244 0.000 1.040 399 T CA 1.646 63.645 62.100 -0.168 0.000 1.156 399 T CB -0.289 68.514 68.868 -0.107 0.000 0.863 399 T HN 0.232 nan 8.240 nan 0.000 0.430 400 R N 0.940 121.337 120.500 -0.172 0.000 2.091 400 R HA -0.108 4.231 4.340 -0.001 0.000 0.238 400 R C 2.599 178.765 176.300 -0.224 0.000 1.136 400 R CA 1.596 57.609 56.100 -0.146 0.000 0.959 400 R CB -0.512 29.773 30.300 -0.026 0.000 0.856 400 R HN 0.420 nan 8.270 nan 0.000 0.437 401 A N 1.057 123.742 122.820 -0.226 0.000 1.898 401 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 401 A C 2.165 179.545 177.584 -0.340 0.000 1.181 401 A CA 1.409 53.278 52.037 -0.281 0.000 0.620 401 A CB -0.540 18.320 19.000 -0.233 0.000 0.819 401 A HN 0.419 nan 8.150 nan 0.000 0.442 402 R N -1.099 119.238 120.500 -0.272 0.000 2.193 402 R HA -0.054 4.286 4.340 -0.001 0.000 0.229 402 R C 1.222 177.326 176.300 -0.326 0.000 1.110 402 R CA 1.482 57.421 56.100 -0.268 0.000 0.988 402 R CB -0.169 30.007 30.300 -0.208 0.000 0.871 402 R HN 0.382 nan 8.270 nan 0.000 0.458 403 M N 0.116 119.473 119.600 -0.406 0.000 2.495 403 M HA 0.023 4.502 4.480 -0.001 0.000 0.237 403 M C 1.184 177.303 176.300 -0.301 0.000 1.131 403 M CA 0.257 55.306 55.300 -0.419 0.000 1.032 403 M CB 0.037 32.182 32.600 -0.759 0.000 1.513 403 M HN 0.128 nan 8.290 nan 0.000 0.488 404 L N -0.693 120.295 121.223 -0.393 0.000 2.056 404 L HA -0.056 4.284 4.340 -0.001 0.000 0.207 404 L C 0.723 177.492 176.870 -0.167 0.000 1.078 404 L CA 1.490 56.080 54.840 -0.417 0.000 0.749 404 L CB -0.996 40.493 42.059 -0.950 0.000 0.901 404 L HN 0.204 nan 8.230 nan 0.000 0.433 405 Y N -2.230 118.036 120.300 -0.057 0.000 2.630 405 Y HA 0.468 5.017 4.550 -0.001 0.000 0.337 405 Y C -2.033 173.796 175.900 -0.118 0.000 1.051 405 Y CA -3.090 54.977 58.100 -0.055 0.000 1.121 405 Y CB 0.424 38.854 38.460 -0.049 0.000 1.299 405 Y HN -0.247 nan 8.280 nan 0.000 0.498 406 P HA 0.008 nan 4.420 nan 0.000 0.272 406 P C 0.336 177.438 177.300 -0.330 0.000 1.223 406 P CA -0.063 62.763 63.100 -0.457 0.000 0.784 406 P CB 0.642 31.803 31.700 -0.898 0.000 0.923 407 E N 1.858 121.925 120.200 -0.221 0.000 2.147 407 E HA -0.336 4.014 4.350 -0.001 0.000 0.199 407 E C 1.024 177.445 176.600 -0.299 0.000 1.005 407 E CA 1.549 57.851 56.400 -0.164 0.000 0.810 407 E CB -0.584 29.100 29.700 -0.027 0.000 0.736 407 E HN 0.428 nan 8.360 nan 0.000 0.460 408 Q N 0.822 120.333 119.800 -0.482 0.000 2.170 408 Q HA -0.071 4.268 4.340 -0.001 0.000 0.203 408 Q C 2.108 177.662 176.000 -0.743 0.000 0.976 408 Q CA 2.109 57.508 55.803 -0.673 0.000 0.858 408 Q CB -0.191 27.931 28.738 -1.027 0.000 0.907 408 Q HN 0.506 nan 8.270 nan 0.000 0.433 409 A N 0.269 122.674 122.820 -0.692 0.000 1.887 409 A HA 0.189 4.509 4.320 -0.001 0.000 0.212 409 A C 2.238 179.718 177.584 -0.174 0.000 1.198 409 A CA 0.946 52.756 52.037 -0.378 0.000 0.628 409 A CB -0.881 18.018 19.000 -0.168 0.000 0.847 409 A HN 0.336 nan 8.150 nan 0.000 0.449 410 A N -0.573 122.174 122.820 -0.122 0.000 1.986 410 A HA -0.247 4.072 4.320 -0.001 0.000 0.220 410 A C 2.139 179.626 177.584 -0.162 0.000 1.171 410 A CA 1.915 53.898 52.037 -0.091 0.000 0.640 410 A CB -0.493 18.434 19.000 -0.120 0.000 0.811 410 A HN 0.553 nan 8.150 nan 0.000 0.451 411 Q N -0.109 119.571 119.800 -0.201 0.000 2.297 411 Q HA -0.055 4.285 4.340 -0.001 0.000 0.204 411 Q C 1.454 177.344 176.000 -0.182 0.000 0.962 411 Q CA 1.605 57.283 55.803 -0.208 0.000 0.879 411 Q CB -0.314 28.299 28.738 -0.209 0.000 0.947 411 Q HN 0.525 nan 8.270 nan 0.000 0.462 412 G N 0.346 109.052 108.800 -0.156 0.000 3.377 412 G HA2 0.248 4.207 3.960 -0.001 0.000 0.257 412 G HA3 0.248 4.207 3.960 -0.001 0.000 0.257 412 G C 0.246 175.152 174.900 0.010 0.000 1.038 412 G CA -0.456 44.591 45.100 -0.090 0.000 0.809 412 G HN 0.159 nan 8.290 nan 0.000 0.526 413 L N 0.871 122.079 121.223 -0.025 0.000 2.525 413 L HA 0.085 4.425 4.340 -0.001 0.000 0.278 413 L C 0.062 177.020 176.870 0.146 0.000 1.218 413 L CA -0.544 54.313 54.840 0.028 0.000 0.878 413 L CB 0.482 42.546 42.059 0.007 0.000 1.127 413 L HN 0.150 nan 8.230 nan 0.000 0.492 414 W N 3.577 124.803 121.300 -0.124 0.000 2.507 414 W HA 0.149 4.808 4.660 -0.001 0.000 0.334 414 W C 0.177 176.597 176.519 -0.165 0.000 1.165 414 W CA -0.975 56.289 57.345 -0.135 0.000 1.460 414 W CB -0.562 28.842 29.460 -0.094 0.000 1.404 414 W HN 0.363 nan 8.180 nan 0.000 0.435 415 N N 5.279 123.864 118.700 -0.192 0.000 2.448 415 N HA 0.125 4.864 4.740 -0.001 0.000 0.250 415 N C -0.192 175.177 175.510 -0.235 0.000 1.136 415 N CA -0.055 52.630 53.050 -0.607 0.000 0.953 415 N CB 0.258 37.870 38.487 -1.458 0.000 1.251 415 N HN 0.391 nan 8.380 nan 0.000 0.502 416 L N -1.043 120.266 121.223 0.143 0.000 2.352 416 L HA 0.542 4.881 4.340 -0.001 0.000 0.269 416 L C 0.490 177.548 176.870 0.313 0.000 1.034 416 L CA -0.822 54.150 54.840 0.219 0.000 0.806 416 L CB 1.261 43.470 42.059 0.249 0.000 1.244 416 L HN 0.189 nan 8.230 nan 0.000 0.447 417 L N 0.224 121.541 121.223 0.155 0.000 2.425 417 L HA 0.281 4.620 4.340 -0.001 0.000 0.215 417 L C -0.371 176.566 176.870 0.112 0.000 1.065 417 L CA 0.358 55.172 54.840 -0.042 0.000 0.842 417 L CB -0.023 41.849 42.059 -0.313 0.000 1.033 417 L HN 0.944 nan 8.230 nan 0.000 0.474 418 D N -2.550 117.937 120.400 0.146 0.000 2.764 418 D HA 0.379 5.018 4.640 -0.001 0.000 0.293 418 D C -0.570 175.691 176.300 -0.065 0.000 1.287 418 D CA -0.319 53.740 54.000 0.097 0.000 0.768 418 D CB 1.011 41.884 40.800 0.122 0.000 1.288 418 D HN -0.052 nan 8.370 nan 0.000 0.426 419 S N -1.768 113.786 115.700 -0.243 0.000 3.144 419 S HA 0.396 4.865 4.470 -0.001 0.000 0.325 419 S C 0.289 174.514 174.600 -0.626 0.000 1.161 419 S CA -0.529 57.447 58.200 -0.373 0.000 0.920 419 S CB 0.417 63.664 63.200 0.078 0.000 1.340 419 S HN 0.866 nan 8.310 nan 0.000 0.681 420 H N 0.109 119.082 119.070 -0.161 0.000 2.533 420 H HA 0.416 4.971 4.556 -0.001 0.000 0.271 420 H C 0.170 175.576 175.328 0.131 0.000 1.000 420 H CA 0.180 56.315 56.048 0.145 0.000 1.149 420 H CB -1.016 29.094 29.762 0.580 0.000 1.375 420 H HN 0.631 nan 8.280 nan 0.000 0.582 421 N N 0.556 119.123 118.700 -0.221 0.000 2.177 421 N HA 0.036 4.776 4.740 -0.001 0.000 0.218 421 N C -0.194 175.289 175.510 -0.044 0.000 1.182 421 N CA 0.339 53.295 53.050 -0.156 0.000 0.882 421 N CB 1.274 39.604 38.487 -0.262 0.000 1.052 421 N HN 0.382 nan 8.380 nan 0.000 0.519 422 T N -2.050 112.483 114.554 -0.036 0.000 2.838 422 T HA 0.292 4.641 4.350 -0.001 0.000 0.292 422 T C -0.615 174.096 174.700 0.019 0.000 1.113 422 T CA -1.001 61.110 62.100 0.018 0.000 1.008 422 T CB 1.649 70.554 68.868 0.061 0.000 1.259 422 T HN 0.103 nan 8.240 nan 0.000 0.520 423 E N 0.723 120.951 120.200 0.047 0.000 2.392 423 E HA 0.271 4.621 4.350 -0.001 0.000 0.259 423 E C -0.277 176.373 176.600 0.085 0.000 1.108 423 E CA -0.951 55.479 56.400 0.050 0.000 0.916 423 E CB 0.637 30.361 29.700 0.040 0.000 0.989 423 E HN 0.393 nan 8.360 nan 0.000 0.432 424 R N 1.068 121.625 120.500 0.096 0.000 2.590 424 R HA 0.012 4.351 4.340 -0.001 0.000 0.274 424 R C 0.670 177.110 176.300 0.234 0.000 1.061 424 R CA -0.051 56.153 56.100 0.172 0.000 1.081 424 R CB 0.129 30.504 30.300 0.125 0.000 0.984 424 R HN 0.677 nan 8.270 nan 0.000 0.448 425 F N 2.267 122.349 119.950 0.221 0.000 2.250 425 F HA -0.225 4.301 4.527 -0.001 0.000 0.301 425 F C 1.919 177.913 175.800 0.325 0.000 1.077 425 F CA 1.185 59.347 58.000 0.271 0.000 1.348 425 F CB -0.038 39.154 39.000 0.320 0.000 1.040 425 F HN 0.451 nan 8.300 nan 0.000 0.509 426 L N -0.132 121.293 121.223 0.338 0.000 2.083 426 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 426 L C 2.208 179.044 176.870 -0.058 0.000 1.083 426 L CA 2.280 57.143 54.840 0.039 0.000 0.752 426 L CB -1.359 40.532 42.059 -0.280 0.000 0.899 426 L HN 0.099 nan 8.230 nan 0.000 0.433 427 T N -1.143 113.388 114.554 -0.038 0.000 2.821 427 T HA -0.112 4.237 4.350 -0.001 0.000 0.267 427 T C 1.938 176.580 174.700 -0.098 0.000 1.046 427 T CA 1.435 63.500 62.100 -0.058 0.000 1.139 427 T CB -0.251 68.601 68.868 -0.027 0.000 0.871 427 T HN 0.390 nan 8.240 nan 0.000 0.454 428 S N 0.657 116.267 115.700 -0.149 0.000 2.419 428 S HA -0.108 4.361 4.470 -0.001 0.000 0.235 428 S C 1.870 176.303 174.600 -0.277 0.000 1.019 428 S CA 0.743 58.805 58.200 -0.230 0.000 0.982 428 S CB -0.452 62.525 63.200 -0.371 0.000 0.789 428 S HN 0.568 nan 8.310 nan 0.000 0.490 429 C N 1.554 120.680 119.300 -0.289 0.000 2.559 429 C HA 0.461 4.920 4.460 -0.001 0.000 0.300 429 C C 1.799 176.718 174.990 -0.119 0.000 1.288 429 C CA -0.584 58.307 59.018 -0.213 0.000 1.699 429 C CB -1.603 26.041 27.740 -0.160 0.000 1.819 429 C HN 0.703 nan 8.230 nan 0.000 0.600 430 G N 0.904 109.642 108.800 -0.104 0.000 2.356 430 G HA2 0.001 3.960 3.960 -0.001 0.000 0.296 430 G HA3 0.001 3.960 3.960 -0.001 0.000 0.296 430 G C 1.048 175.913 174.900 -0.058 0.000 1.022 430 G CA 0.574 45.633 45.100 -0.069 0.000 0.961 430 G HN 1.479 nan 8.290 nan 0.000 0.510 431 G N -0.951 107.808 108.800 -0.069 0.000 2.189 431 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.267 431 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.267 431 G C 0.445 175.315 174.900 -0.049 0.000 0.975 431 G CA 0.774 45.834 45.100 -0.067 0.000 0.644 431 G HN 1.439 nan 8.290 nan 0.000 0.537 432 N N 1.008 119.687 118.700 -0.036 0.000 2.402 432 N HA 0.161 4.900 4.740 -0.001 0.000 0.259 432 N C 1.181 176.701 175.510 0.016 0.000 1.167 432 N CA 0.559 53.605 53.050 -0.006 0.000 0.949 432 N CB 0.573 39.055 38.487 -0.009 0.000 1.212 432 N HN 0.624 nan 8.380 nan 0.000 0.493 433 E N 3.167 123.381 120.200 0.023 0.000 2.268 433 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 433 E C 1.342 178.002 176.600 0.100 0.000 0.995 433 E CA 0.722 57.159 56.400 0.062 0.000 0.836 433 E CB 0.173 29.883 29.700 0.017 0.000 0.763 433 E HN 0.707 nan 8.360 nan 0.000 0.491 434 A N 1.157 124.026 122.820 0.082 0.000 1.969 434 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 434 A C 1.946 179.506 177.584 -0.039 0.000 1.169 434 A CA 1.274 53.378 52.037 0.112 0.000 0.635 434 A CB -0.168 19.039 19.000 0.344 0.000 0.810 434 A HN 0.119 nan 8.150 nan 0.000 0.445 435 K N -1.601 118.693 120.400 -0.178 0.000 2.062 435 K HA -0.015 4.304 4.320 -0.001 0.000 0.205 435 K C 1.758 178.322 176.600 -0.060 0.000 1.051 435 K CA 1.302 57.393 56.287 -0.328 0.000 0.941 435 K CB -0.317 31.990 32.500 -0.321 0.000 0.719 435 K HN 0.469 nan 8.250 nan 0.000 0.440 436 F N 2.471 122.392 119.950 -0.049 0.000 2.161 436 F HA -0.190 4.336 4.527 -0.001 0.000 0.300 436 F C 2.050 177.910 175.800 0.100 0.000 1.089 436 F CA 1.458 59.530 58.000 0.120 0.000 1.282 436 F CB 0.121 39.203 39.000 0.137 0.000 1.010 436 F HN -0.113 nan 8.300 nan 0.000 0.485 437 R N -0.128 120.479 120.500 0.178 0.000 2.115 437 R HA -0.077 4.262 4.340 -0.001 0.000 0.226 437 R C 2.320 178.643 176.300 0.038 0.000 1.100 437 R CA 1.074 57.258 56.100 0.141 0.000 0.980 437 R CB -0.527 29.755 30.300 -0.031 0.000 0.875 437 R HN 0.380 nan 8.270 nan 0.000 0.445 438 L N 0.349 121.488 121.223 -0.141 0.000 2.109 438 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 438 L C 2.403 178.866 176.870 -0.678 0.000 1.086 438 L CA 1.127 55.804 54.840 -0.271 0.000 0.760 438 L CB -0.483 41.414 42.059 -0.269 0.000 0.910 438 L HN 0.204 nan 8.230 nan 0.000 0.437 439 A N -0.617 121.656 122.820 -0.912 0.000 1.902 439 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 439 A C 2.191 179.546 177.584 -0.382 0.000 1.181 439 A CA 1.755 53.246 52.037 -0.910 0.000 0.623 439 A CB -0.657 18.113 19.000 -0.383 0.000 0.818 439 A HN 0.275 nan 8.150 nan 0.000 0.443 440 V N -0.229 119.464 119.914 -0.368 0.000 2.379 440 V HA -0.205 3.915 4.120 -0.001 0.000 0.245 440 V C 2.456 178.420 176.094 -0.216 0.000 1.044 440 V CA 1.650 63.745 62.300 -0.341 0.000 1.036 440 V CB -0.799 30.733 31.823 -0.485 0.000 0.664 440 V HN 0.626 nan 8.190 nan 0.000 0.453 441 L N -0.767 120.392 121.223 -0.106 0.000 2.043 441 L HA -0.258 4.081 4.340 -0.001 0.000 0.212 441 L C 2.285 179.208 176.870 0.089 0.000 1.075 441 L CA 2.149 56.965 54.840 -0.040 0.000 0.752 441 L CB -0.318 41.808 42.059 0.113 0.000 0.891 441 L HN 0.391 nan 8.230 nan 0.000 0.432 442 F N 0.176 120.143 119.950 0.028 0.000 2.039 442 F HA -0.306 4.221 4.527 -0.001 0.000 0.294 442 F C 2.733 178.675 175.800 0.237 0.000 1.130 442 F CA 2.035 60.184 58.000 0.249 0.000 1.189 442 F CB -0.400 38.791 39.000 0.319 0.000 0.983 442 F HN 0.139 nan 8.300 nan 0.000 0.471 443 Q N -0.137 119.747 119.800 0.141 0.000 2.173 443 Q HA -0.257 4.082 4.340 -0.001 0.000 0.208 443 Q C 1.757 177.666 176.000 -0.151 0.000 0.989 443 Q CA 1.950 57.769 55.803 0.026 0.000 0.872 443 Q CB -0.148 28.644 28.738 0.091 0.000 0.909 443 Q HN 0.390 nan 8.270 nan 0.000 0.420 444 M N 0.026 119.534 119.600 -0.153 0.000 2.618 444 M HA 0.017 4.496 4.480 -0.001 0.000 0.240 444 M C 1.119 177.334 176.300 -0.141 0.000 1.123 444 M CA 1.044 56.229 55.300 -0.193 0.000 1.060 444 M CB -0.037 32.403 32.600 -0.266 0.000 1.535 444 M HN 0.340 nan 8.290 nan 0.000 0.507 445 T N -4.947 109.570 114.554 -0.063 0.000 3.041 445 T HA 0.136 4.485 4.350 -0.001 0.000 0.276 445 T C 0.251 175.026 174.700 0.125 0.000 0.948 445 T CA -0.348 61.785 62.100 0.054 0.000 0.885 445 T CB 0.093 69.071 68.868 0.184 0.000 1.175 445 T HN 0.090 nan 8.240 nan 0.000 0.529 446 Y N 1.894 122.018 120.300 -0.295 0.000 2.282 446 Y HA 0.621 5.171 4.550 -0.001 0.000 0.335 446 Y C 0.054 175.752 175.900 -0.338 0.000 1.335 446 Y CA -2.347 55.453 58.100 -0.500 0.000 1.529 446 Y CB 0.510 38.404 38.460 -0.944 0.000 1.429 446 Y HN 0.155 nan 8.280 nan 0.000 0.563 447 L N 2.900 123.427 121.223 -1.160 0.000 2.369 447 L HA 0.524 4.863 4.340 -0.001 0.000 0.279 447 L C 0.094 176.615 176.870 -0.582 0.000 1.108 447 L CA 1.227 55.583 54.840 -0.806 0.000 0.852 447 L CB -0.391 41.134 42.059 -0.889 0.000 1.169 447 L HN 0.820 nan 8.230 nan 0.000 0.452 448 G N 2.591 111.172 108.800 -0.366 0.000 2.334 448 G HA2 0.015 3.974 3.960 -0.001 0.000 0.315 448 G HA3 0.015 3.974 3.960 -0.001 0.000 0.315 448 G C -0.956 173.804 174.900 -0.232 0.000 1.284 448 G CA -0.528 44.411 45.100 -0.269 0.000 0.985 448 G HN 0.532 nan 8.290 nan 0.000 0.504 449 T N 3.056 117.507 114.554 -0.172 0.000 2.758 449 T HA 0.629 4.978 4.350 -0.001 0.000 0.285 449 T C -2.610 171.913 174.700 -0.295 0.000 0.981 449 T CA -0.708 61.272 62.100 -0.200 0.000 0.965 449 T CB 1.824 70.622 68.868 -0.116 0.000 0.927 449 T HN 0.356 nan 8.240 nan 0.000 0.448 450 P HA 0.226 nan 4.420 nan 0.000 0.276 450 P C -0.784 176.355 177.300 -0.268 0.000 1.243 450 P CA -0.426 62.513 63.100 -0.269 0.000 0.768 450 P CB 0.531 32.102 31.700 -0.213 0.000 0.856 451 L N 5.480 126.574 121.223 -0.216 0.000 2.305 451 L HA 0.491 4.831 4.340 -0.001 0.000 0.284 451 L C -0.634 176.230 176.870 -0.011 0.000 1.013 451 L CA -0.781 53.948 54.840 -0.186 0.000 0.819 451 L CB 0.687 42.649 42.059 -0.162 0.000 1.227 451 L HN 0.293 nan 8.230 nan 0.000 0.417 452 I N 4.646 125.228 120.570 0.020 0.000 2.359 452 I HA 0.143 4.312 4.170 -0.001 0.000 0.294 452 I C -0.910 175.199 176.117 -0.014 0.000 0.987 452 I CA -0.681 60.673 61.300 0.090 0.000 1.225 452 I CB 1.448 39.560 38.000 0.187 0.000 1.366 452 I HN 0.473 nan 8.210 nan 0.000 0.466 453 Y N 8.524 128.794 120.300 -0.050 0.000 2.504 453 Y HA 0.181 4.731 4.550 -0.001 0.000 0.351 453 Y C 0.030 175.801 175.900 -0.216 0.000 0.988 453 Y CA -1.405 56.657 58.100 -0.064 0.000 1.239 453 Y CB -0.037 38.455 38.460 0.052 0.000 1.128 453 Y HN 0.453 nan 8.280 nan 0.000 0.525 454 Y N 5.017 124.849 120.300 -0.779 0.000 3.064 454 Y HA 0.164 4.713 4.550 -0.001 0.000 0.361 454 Y C 1.030 176.750 175.900 -0.300 0.000 1.249 454 Y CA 0.588 58.355 58.100 -0.555 0.000 1.605 454 Y CB -0.272 37.995 38.460 -0.320 0.000 1.131 454 Y HN 0.948 nan 8.280 nan 0.000 0.589 455 G N 2.898 111.600 108.800 -0.163 0.000 2.397 455 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.211 455 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.211 455 G C 0.810 175.637 174.900 -0.121 0.000 1.077 455 G CA 0.195 45.148 45.100 -0.246 0.000 0.649 455 G HN 0.615 nan 8.290 nan 0.000 0.511 456 D N 1.761 122.124 120.400 -0.061 0.000 2.271 456 D HA -0.081 4.558 4.640 -0.001 0.000 0.207 456 D C 2.392 178.740 176.300 0.080 0.000 0.983 456 D CA 1.456 55.545 54.000 0.148 0.000 0.878 456 D CB -0.058 40.997 40.800 0.424 0.000 0.920 456 D HN 0.783 nan 8.370 nan 0.000 0.479 457 E N 1.113 121.226 120.200 -0.145 0.000 2.427 457 E HA -0.122 4.227 4.350 -0.001 0.000 0.196 457 E C 1.562 178.203 176.600 0.068 0.000 1.028 457 E CA 0.483 56.628 56.400 -0.425 0.000 0.864 457 E CB -0.105 29.359 29.700 -0.392 0.000 0.813 457 E HN 0.364 nan 8.360 nan 0.000 0.514 458 I N -3.393 117.227 120.570 0.084 0.000 3.817 458 I HA 0.520 4.690 4.170 -0.001 0.000 0.325 458 I C 0.932 177.044 176.117 -0.009 0.000 1.550 458 I CA 0.083 61.432 61.300 0.081 0.000 1.100 458 I CB 0.085 38.095 38.000 0.017 0.000 1.216 458 I HN 0.104 nan 8.210 nan 0.000 0.481 459 G N 1.966 110.738 108.800 -0.045 0.000 2.176 459 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.253 459 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.253 459 G C 0.264 175.068 174.900 -0.161 0.000 0.979 459 G CA 0.188 45.204 45.100 -0.140 0.000 0.641 459 G HN 0.428 nan 8.290 nan 0.000 0.530 460 M N 0.882 120.396 119.600 -0.142 0.000 2.251 460 M HA 0.392 4.871 4.480 -0.001 0.000 0.343 460 M C 0.904 177.130 176.300 -0.124 0.000 1.245 460 M CA 1.278 56.489 55.300 -0.149 0.000 1.061 460 M CB 0.613 33.093 32.600 -0.200 0.000 1.723 460 M HN 0.600 nan 8.290 nan 0.000 0.449 461 A N 2.237 124.994 122.820 -0.105 0.000 2.464 461 A HA 1.051 5.370 4.320 -0.001 0.000 0.268 461 A C -0.049 177.506 177.584 -0.049 0.000 1.244 461 A CA -0.098 51.896 52.037 -0.072 0.000 0.871 461 A CB 1.530 20.481 19.000 -0.083 0.000 1.400 461 A HN 0.999 nan 8.150 nan 0.000 0.455 462 G N -3.064 105.718 108.800 -0.031 0.000 2.333 462 G HA2 0.596 4.555 3.960 -0.001 0.000 0.330 462 G HA3 0.596 4.555 3.960 -0.001 0.000 0.330 462 G C -0.492 174.404 174.900 -0.006 0.000 1.465 462 G CA 0.075 45.161 45.100 -0.024 0.000 0.996 462 G HN 1.969 nan 8.290 nan 0.000 0.655 463 A N -0.194 122.620 122.820 -0.011 0.000 2.247 463 A HA 0.929 5.248 4.320 -0.001 0.000 0.313 463 A C 1.116 178.704 177.584 0.006 0.000 1.109 463 A CA 0.768 52.803 52.037 -0.003 0.000 0.890 463 A CB 0.819 19.813 19.000 -0.011 0.000 1.239 463 A HN 2.171 nan 8.150 nan 0.000 0.506 464 T N -0.425 114.137 114.554 0.013 0.000 2.716 464 T HA 0.047 4.397 4.350 -0.001 0.000 0.335 464 T C 0.353 175.062 174.700 0.014 0.000 1.081 464 T CA 0.492 62.605 62.100 0.022 0.000 1.073 464 T CB -0.207 68.680 68.868 0.031 0.000 0.993 464 T HN 0.734 nan 8.240 nan 0.000 0.547 465 D N 1.725 122.146 120.400 0.035 0.000 2.730 465 D HA -0.033 4.607 4.640 -0.001 0.000 0.225 465 D C -1.194 175.081 176.300 -0.042 0.000 1.107 465 D CA -1.017 53.009 54.000 0.043 0.000 0.837 465 D CB 0.874 41.750 40.800 0.126 0.000 1.171 465 D HN 0.364 nan 8.370 nan 0.000 0.498 466 P HA 0.053 nan 4.420 nan 0.000 0.257 466 P C 0.496 177.753 177.300 -0.071 0.000 1.241 466 P CA 0.026 63.059 63.100 -0.112 0.000 0.816 466 P CB 0.425 31.996 31.700 -0.214 0.000 1.150 467 D N 0.345 120.704 120.400 -0.069 0.000 2.403 467 D HA -0.115 4.525 4.640 -0.001 0.000 0.227 467 D C 1.599 177.883 176.300 -0.026 0.000 0.995 467 D CA 0.708 54.677 54.000 -0.052 0.000 0.928 467 D CB -0.464 40.307 40.800 -0.047 0.000 0.887 467 D HN 0.219 nan 8.370 nan 0.000 0.529 468 C N -1.427 117.877 119.300 0.008 0.000 2.590 468 C HA 0.304 4.763 4.460 -0.001 0.000 0.272 468 C C 1.574 176.630 174.990 0.111 0.000 1.338 468 C CA -0.567 58.496 59.018 0.075 0.000 1.746 468 C CB -0.733 27.064 27.740 0.095 0.000 2.020 468 C HN 0.041 nan 8.230 nan 0.000 0.531 469 R N 1.495 122.005 120.500 0.016 0.000 2.978 469 R HA 0.256 4.595 4.340 -0.001 0.000 0.298 469 R C -0.089 176.135 176.300 -0.127 0.000 1.296 469 R CA -0.142 55.915 56.100 -0.072 0.000 1.181 469 R CB -0.195 29.907 30.300 -0.331 0.000 1.348 469 R HN 0.573 nan 8.270 nan 0.000 0.585 470 R N 2.390 122.810 120.500 -0.133 0.000 2.543 470 R HA 0.126 4.465 4.340 -0.001 0.000 0.277 470 R C -2.006 174.070 176.300 -0.373 0.000 1.074 470 R CA -1.641 54.295 56.100 -0.273 0.000 1.076 470 R CB 0.088 30.258 30.300 -0.217 0.000 0.993 470 R HN 0.059 nan 8.270 nan 0.000 0.459 471 P HA -0.155 nan 4.420 nan 0.000 0.269 471 P C -0.287 176.741 177.300 -0.452 0.000 1.205 471 P CA -0.020 62.490 63.100 -0.983 0.000 0.780 471 P CB 0.507 31.014 31.700 -1.988 0.000 0.858 472 M N 2.400 121.907 119.600 -0.155 0.000 2.243 472 M HA 0.168 4.647 4.480 -0.001 0.000 0.341 472 M C -0.297 175.820 176.300 -0.305 0.000 1.130 472 M CA 0.109 55.286 55.300 -0.205 0.000 1.162 472 M CB -0.323 32.036 32.600 -0.402 0.000 1.497 472 M HN 0.111 nan 8.290 nan 0.000 0.456 473 I N 5.733 126.039 120.570 -0.440 0.000 2.291 473 I HA 0.026 4.196 4.170 -0.001 0.000 0.292 473 I C -0.253 175.603 176.117 -0.436 0.000 1.064 473 I CA 0.405 61.528 61.300 -0.295 0.000 1.269 473 I CB -0.552 37.322 38.000 -0.211 0.000 1.418 473 I HN 0.966 nan 8.210 nan 0.000 0.485 474 W N 2.530 123.792 121.300 -0.063 0.000 2.907 474 W HA 0.147 4.806 4.660 -0.001 0.000 0.271 474 W C 1.121 177.545 176.519 -0.159 0.000 1.253 474 W CA -0.361 56.869 57.345 -0.191 0.000 1.501 474 W CB 0.594 29.911 29.460 -0.237 0.000 1.047 474 W HN 0.356 nan 8.180 nan 0.000 0.610 475 E N 2.214 122.479 120.200 0.108 0.000 2.271 475 E HA -0.070 4.279 4.350 -0.001 0.000 0.255 475 E C 0.910 177.517 176.600 0.012 0.000 1.177 475 E CA 0.465 56.894 56.400 0.049 0.000 0.946 475 E CB 0.475 30.199 29.700 0.041 0.000 1.009 475 E HN 0.431 nan 8.360 nan 0.000 0.451 476 E N 2.966 123.169 120.200 0.004 0.000 2.233 476 E HA -0.274 4.075 4.350 -0.001 0.000 0.199 476 E C 1.670 178.266 176.600 -0.006 0.000 1.004 476 E CA 1.037 57.429 56.400 -0.012 0.000 0.819 476 E CB 0.111 29.805 29.700 -0.010 0.000 0.738 476 E HN 0.383 nan 8.360 nan 0.000 0.478 477 K N 1.034 121.434 120.400 0.000 0.000 2.148 477 K HA -0.139 4.180 4.320 -0.001 0.000 0.204 477 K C 1.368 177.967 176.600 -0.003 0.000 1.050 477 K CA 1.046 57.335 56.287 0.002 0.000 0.942 477 K CB 0.277 32.780 32.500 0.005 0.000 0.724 477 K HN -0.031 nan 8.250 nan 0.000 0.446 478 E N 0.823 121.017 120.200 -0.009 0.000 2.474 478 E HA 0.022 4.371 4.350 -0.001 0.000 0.195 478 E C -0.222 176.356 176.600 -0.037 0.000 1.039 478 E CA 0.228 56.615 56.400 -0.021 0.000 0.881 478 E CB 0.551 30.238 29.700 -0.021 0.000 0.970 478 E HN 0.443 nan 8.360 nan 0.000 0.486 479 Q N 1.208 120.988 119.800 -0.034 0.000 2.241 479 Q HA 0.195 4.534 4.340 -0.001 0.000 0.254 479 Q C 0.117 176.117 176.000 0.000 0.000 0.917 479 Q CA -0.469 55.310 55.803 -0.040 0.000 0.919 479 Q CB 0.983 29.679 28.738 -0.070 0.000 1.237 479 Q HN -0.120 nan 8.270 nan 0.000 0.434 480 N N 2.757 121.468 118.700 0.018 0.000 3.103 480 N HA -0.030 4.709 4.740 -0.001 0.000 0.305 480 N C 0.322 175.910 175.510 0.131 0.000 1.232 480 N CA 0.100 53.183 53.050 0.056 0.000 1.190 480 N CB 0.208 38.721 38.487 0.042 0.000 1.461 480 N HN 0.440 nan 8.380 nan 0.000 0.538 481 R N 0.454 121.027 120.500 0.120 0.000 2.249 481 R HA -0.086 4.254 4.340 -0.001 0.000 0.230 481 R C 1.711 178.164 176.300 0.254 0.000 1.121 481 R CA 0.865 57.084 56.100 0.198 0.000 0.997 481 R CB -0.901 29.478 30.300 0.131 0.000 0.867 481 R HN 0.451 nan 8.270 nan 0.000 0.465 482 G N 0.950 109.860 108.800 0.183 0.000 2.402 482 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 482 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 482 G C 1.431 176.476 174.900 0.241 0.000 1.162 482 G CA 0.146 45.349 45.100 0.172 0.000 0.777 482 G HN 0.215 nan 8.290 nan 0.000 0.539 483 L N -0.279 121.107 121.223 0.271 0.000 2.005 483 L HA 0.205 4.545 4.340 -0.001 0.000 0.207 483 L C 2.476 179.651 176.870 0.507 0.000 1.072 483 L CA 1.442 56.522 54.840 0.401 0.000 0.744 483 L CB -0.803 41.467 42.059 0.352 0.000 0.895 483 L HN 0.249 nan 8.230 nan 0.000 0.433 484 F N 0.283 120.379 119.950 0.243 0.000 2.147 484 F HA -0.285 4.241 4.527 -0.001 0.000 0.301 484 F C 2.336 178.273 175.800 0.229 0.000 1.084 484 F CA 1.859 59.973 58.000 0.190 0.000 1.268 484 F CB 0.039 39.127 39.000 0.146 0.000 1.009 484 F HN 0.190 nan 8.300 nan 0.000 0.486 485 E N -0.323 120.042 120.200 0.276 0.000 2.152 485 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 485 E C 2.069 178.775 176.600 0.176 0.000 0.983 485 E CA 0.915 57.411 56.400 0.161 0.000 0.818 485 E CB -0.776 29.051 29.700 0.213 0.000 0.758 485 E HN 0.572 nan 8.360 nan 0.000 0.467 486 F N 0.150 120.171 119.950 0.119 0.000 2.102 486 F HA -0.282 4.244 4.527 -0.001 0.000 0.298 486 F C 2.114 177.954 175.800 0.067 0.000 1.105 486 F CA 1.154 59.214 58.000 0.100 0.000 1.239 486 F CB -0.105 38.984 39.000 0.149 0.000 0.991 486 F HN -0.033 nan 8.300 nan 0.000 0.474 487 Y N 1.187 121.451 120.300 -0.061 0.000 2.097 487 Y HA -0.278 4.271 4.550 -0.001 0.000 0.282 487 Y C 2.428 178.171 175.900 -0.262 0.000 1.152 487 Y CA 2.145 60.128 58.100 -0.195 0.000 1.136 487 Y CB -0.701 37.691 38.460 -0.115 0.000 0.975 487 Y HN -0.036 nan 8.280 nan 0.000 0.498 488 K N -0.133 120.198 120.400 -0.115 0.000 2.020 488 K HA -0.298 4.022 4.320 -0.001 0.000 0.212 488 K C 2.108 178.633 176.600 -0.124 0.000 1.050 488 K CA 2.012 58.197 56.287 -0.170 0.000 0.929 488 K CB -0.327 32.035 32.500 -0.231 0.000 0.714 488 K HN 0.382 nan 8.250 nan 0.000 0.443 489 E N 0.945 121.076 120.200 -0.114 0.000 2.118 489 E HA -0.193 4.156 4.350 -0.001 0.000 0.195 489 E C 2.022 178.515 176.600 -0.178 0.000 0.992 489 E CA 0.899 57.233 56.400 -0.110 0.000 0.804 489 E CB 0.031 29.695 29.700 -0.059 0.000 0.741 489 E HN 0.233 nan 8.360 nan 0.000 0.458 490 L N 0.649 121.692 121.223 -0.300 0.000 2.027 490 L HA -0.192 4.147 4.340 -0.001 0.000 0.206 490 L C 2.480 179.209 176.870 -0.235 0.000 1.074 490 L CA 0.539 55.181 54.840 -0.331 0.000 0.745 490 L CB -0.345 41.400 42.059 -0.524 0.000 0.898 490 L HN 0.262 nan 8.230 nan 0.000 0.433 491 I N -0.207 120.247 120.570 -0.193 0.000 2.208 491 I HA -0.309 3.861 4.170 -0.001 0.000 0.245 491 I C 2.671 178.755 176.117 -0.054 0.000 1.097 491 I CA 1.493 62.715 61.300 -0.130 0.000 1.363 491 I CB -1.131 36.848 38.000 -0.035 0.000 1.051 491 I HN 0.327 nan 8.210 nan 0.000 0.413 492 R N 0.689 121.166 120.500 -0.039 0.000 2.070 492 R HA -0.145 4.195 4.340 -0.001 0.000 0.233 492 R C 2.490 178.762 176.300 -0.045 0.000 1.137 492 R CA 1.343 57.441 56.100 -0.004 0.000 0.945 492 R CB -0.245 30.030 30.300 -0.042 0.000 0.845 492 R HN 0.275 nan 8.270 nan 0.000 0.430 493 L N -0.005 121.155 121.223 -0.105 0.000 2.012 493 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 493 L C 2.813 179.593 176.870 -0.151 0.000 1.073 493 L CA 1.501 56.260 54.840 -0.134 0.000 0.748 493 L CB -0.492 41.485 42.059 -0.138 0.000 0.891 493 L HN 0.274 nan 8.230 nan 0.000 0.431 494 R N -0.369 120.016 120.500 -0.191 0.000 2.113 494 R HA -0.234 4.106 4.340 -0.001 0.000 0.244 494 R C 2.176 178.325 176.300 -0.252 0.000 1.142 494 R CA 2.120 58.066 56.100 -0.255 0.000 0.953 494 R CB -0.328 29.752 30.300 -0.367 0.000 0.860 494 R HN 0.470 nan 8.270 nan 0.000 0.438 495 H N -1.272 117.737 119.070 -0.101 0.000 2.524 495 H HA 0.064 4.619 4.556 -0.001 0.000 0.282 495 H C 1.887 177.156 175.328 -0.099 0.000 1.016 495 H CA 0.922 56.917 56.048 -0.088 0.000 1.270 495 H CB 0.271 29.988 29.762 -0.075 0.000 1.394 495 H HN 0.167 nan 8.280 nan 0.000 0.568 496 R N -0.115 120.367 120.500 -0.030 0.000 2.223 496 R HA 0.171 4.510 4.340 -0.001 0.000 0.198 496 R C -0.229 175.975 176.300 -0.159 0.000 0.984 496 R CA 0.190 56.231 56.100 -0.098 0.000 1.018 496 R CB 0.565 30.780 30.300 -0.142 0.000 0.945 496 R HN 0.158 nan 8.270 nan 0.000 0.479 497 L N 0.642 121.765 121.223 -0.167 0.000 2.276 497 L HA 0.316 4.655 4.340 -0.001 0.000 0.286 497 L C 1.051 177.862 176.870 -0.098 0.000 1.024 497 L CA -0.482 54.254 54.840 -0.173 0.000 0.826 497 L CB 1.735 43.675 42.059 -0.198 0.000 1.211 497 L HN 0.054 nan 8.230 nan 0.000 0.422 498 A N 1.957 124.737 122.820 -0.067 0.000 1.933 498 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 498 A C 2.274 179.830 177.584 -0.046 0.000 1.175 498 A CA 1.899 53.907 52.037 -0.048 0.000 0.628 498 A CB -0.385 18.595 19.000 -0.033 0.000 0.814 498 A HN 0.810 nan 8.150 nan 0.000 0.444 499 S N 0.099 115.783 115.700 -0.026 0.000 2.442 499 S HA -0.057 4.413 4.470 -0.001 0.000 0.236 499 S C 1.630 176.214 174.600 -0.027 0.000 1.007 499 S CA 1.352 59.543 58.200 -0.015 0.000 0.965 499 S CB -0.610 62.606 63.200 0.027 0.000 0.773 499 S HN 0.479 nan 8.310 nan 0.000 0.504 500 L N 1.625 122.821 121.223 -0.044 0.000 2.395 500 L HA 0.025 4.364 4.340 -0.001 0.000 0.218 500 L C 2.704 179.506 176.870 -0.113 0.000 1.130 500 L CA 1.326 56.128 54.840 -0.063 0.000 0.826 500 L CB -0.730 41.280 42.059 -0.082 0.000 0.941 500 L HN 0.627 nan 8.230 nan 0.000 0.451 501 T N -4.286 110.201 114.554 -0.111 0.000 3.085 501 T HA 0.082 4.431 4.350 -0.001 0.000 0.241 501 T C 1.709 176.338 174.700 -0.117 0.000 0.988 501 T CA -0.249 61.776 62.100 -0.126 0.000 1.117 501 T CB 0.125 68.929 68.868 -0.106 0.000 0.978 501 T HN 0.148 nan 8.240 nan 0.000 0.454 502 R N 1.353 121.797 120.500 -0.093 0.000 2.543 502 R HA 0.420 4.760 4.340 -0.001 0.000 0.323 502 R C 0.907 177.157 176.300 -0.083 0.000 1.002 502 R CA -0.195 55.851 56.100 -0.090 0.000 1.106 502 R CB 1.016 31.273 30.300 -0.071 0.000 1.280 502 R HN 0.443 nan 8.270 nan 0.000 0.549 503 G N 1.018 109.771 108.800 -0.079 0.000 2.522 503 G HA2 0.157 4.116 3.960 -0.001 0.000 0.304 503 G HA3 0.157 4.116 3.960 -0.001 0.000 0.304 503 G C -0.176 174.677 174.900 -0.078 0.000 1.210 503 G CA -0.695 44.369 45.100 -0.061 0.000 0.960 503 G HN 0.308 nan 8.290 nan 0.000 0.497 504 N N -2.613 116.055 118.700 -0.054 0.000 2.514 504 N HA 0.568 5.307 4.740 -0.001 0.000 0.299 504 N C -0.972 174.508 175.510 -0.050 0.000 1.292 504 N CA -0.766 52.242 53.050 -0.069 0.000 0.963 504 N CB 1.380 39.842 38.487 -0.043 0.000 1.124 504 N HN 0.312 nan 8.380 nan 0.000 0.580 505 V N -0.975 118.908 119.914 -0.052 0.000 2.733 505 V HA 0.551 4.670 4.120 -0.001 0.000 0.306 505 V C -0.849 175.276 176.094 0.052 0.000 1.084 505 V CA -0.939 61.364 62.300 0.005 0.000 0.905 505 V CB 1.543 33.297 31.823 -0.116 0.000 1.010 505 V HN 0.676 nan 8.190 nan 0.000 0.424 506 R N 1.599 122.180 120.500 0.135 0.000 2.515 506 R HA 0.515 4.855 4.340 -0.001 0.000 0.291 506 R C -0.518 175.920 176.300 0.229 0.000 1.046 506 R CA -0.585 55.594 56.100 0.131 0.000 0.914 506 R CB 2.188 32.536 30.300 0.080 0.000 1.191 506 R HN 0.763 nan 8.270 nan 0.000 0.435 507 S N 1.831 117.679 115.700 0.247 0.000 2.546 507 S HA -0.045 4.424 4.470 -0.001 0.000 0.290 507 S C 0.415 175.227 174.600 0.352 0.000 1.290 507 S CA 0.040 58.448 58.200 0.347 0.000 1.069 507 S CB 0.307 63.697 63.200 0.317 0.000 0.846 507 S HN 0.646 nan 8.310 nan 0.000 0.495 508 W N 3.387 124.760 121.300 0.121 0.000 2.866 508 W HA 0.269 4.928 4.660 -0.001 0.000 0.258 508 W C 0.356 176.957 176.519 0.137 0.000 1.183 508 W CA 0.546 57.934 57.345 0.072 0.000 1.451 508 W CB 0.200 29.656 29.460 -0.006 0.000 0.959 508 W HN 0.745 nan 8.180 nan 0.000 0.622 509 H N -0.241 118.876 119.070 0.079 0.000 3.151 509 H HA 0.485 5.040 4.556 -0.001 0.000 0.333 509 H C -1.767 173.652 175.328 0.151 0.000 1.093 509 H CA 0.253 56.282 56.048 -0.032 0.000 1.342 509 H CB 1.377 30.937 29.762 -0.337 0.000 1.983 509 H HN -0.091 nan 8.280 nan 0.000 0.503 510 A N 4.183 126.936 122.820 -0.111 0.000 2.446 510 A HA 0.344 4.663 4.320 -0.001 0.000 0.282 510 A C -1.480 176.062 177.584 -0.069 0.000 1.102 510 A CA -0.677 51.442 52.037 0.137 0.000 0.737 510 A CB 1.188 20.303 19.000 0.191 0.000 1.212 510 A HN 0.546 nan 8.150 nan 0.000 0.434 511 D N 2.755 123.193 120.400 0.063 0.000 2.462 511 D HA 0.231 4.870 4.640 -0.001 0.000 0.245 511 D C 1.070 177.385 176.300 0.027 0.000 1.122 511 D CA -0.472 53.543 54.000 0.025 0.000 0.864 511 D CB 1.338 42.222 40.800 0.139 0.000 1.098 511 D HN 0.568 nan 8.370 nan 0.000 0.541 512 K N 2.465 122.814 120.400 -0.085 0.000 2.147 512 K HA -0.209 4.110 4.320 -0.001 0.000 0.205 512 K C 1.100 177.597 176.600 -0.172 0.000 1.049 512 K CA 1.047 57.175 56.287 -0.265 0.000 0.936 512 K CB 0.154 32.216 32.500 -0.730 0.000 0.722 512 K HN 0.199 nan 8.250 nan 0.000 0.446 513 Q N 1.221 120.960 119.800 -0.103 0.000 1.969 513 Q HA 0.038 4.378 4.340 -0.001 0.000 0.198 513 Q C 2.276 178.264 176.000 -0.019 0.000 0.978 513 Q CA 2.162 57.929 55.803 -0.061 0.000 0.830 513 Q CB -0.429 28.282 28.738 -0.045 0.000 0.896 513 Q HN 0.507 nan 8.270 nan 0.000 0.431 514 A N 0.319 123.145 122.820 0.010 0.000 2.167 514 A HA -0.034 4.285 4.320 -0.001 0.000 0.214 514 A C 0.486 178.100 177.584 0.049 0.000 1.151 514 A CA 0.745 52.797 52.037 0.025 0.000 0.735 514 A CB -0.490 18.530 19.000 0.034 0.000 0.802 514 A HN 0.551 nan 8.150 nan 0.000 0.467 515 N N -1.707 117.038 118.700 0.075 0.000 2.725 515 N HA -0.155 4.585 4.740 -0.001 0.000 0.251 515 N C -0.547 175.074 175.510 0.185 0.000 1.031 515 N CA 0.804 53.931 53.050 0.129 0.000 0.720 515 N CB -1.664 36.859 38.487 0.060 0.000 0.930 515 N HN 0.579 nan 8.380 nan 0.000 0.543 516 L N 0.962 122.318 121.223 0.221 0.000 2.329 516 L HA 0.636 4.975 4.340 -0.001 0.000 0.279 516 L C -0.907 176.205 176.870 0.402 0.000 1.014 516 L CA -1.013 53.978 54.840 0.252 0.000 0.814 516 L CB 1.178 43.320 42.059 0.138 0.000 1.257 516 L HN 0.266 nan 8.230 nan 0.000 0.424 517 Y N 4.419 124.881 120.300 0.270 0.000 2.354 517 Y HA 0.729 5.278 4.550 -0.001 0.000 0.330 517 Y C -0.907 175.180 175.900 0.313 0.000 1.011 517 Y CA -0.747 57.530 58.100 0.295 0.000 1.099 517 Y CB 1.695 40.343 38.460 0.314 0.000 1.179 517 Y HN 0.678 nan 8.280 nan 0.000 0.442 518 A N 6.416 129.048 122.820 -0.314 0.000 2.386 518 A HA 0.816 5.135 4.320 -0.001 0.000 0.311 518 A C -1.771 175.738 177.584 -0.125 0.000 1.068 518 A CA -0.564 51.323 52.037 -0.249 0.000 0.743 518 A CB 0.718 19.547 19.000 -0.285 0.000 1.258 518 A HN 0.807 nan 8.150 nan 0.000 0.429 519 F N 0.008 119.971 119.950 0.021 0.000 2.626 519 F HA 0.819 5.345 4.527 -0.001 0.000 0.311 519 F C -1.293 174.594 175.800 0.146 0.000 1.088 519 F CA -1.287 56.785 58.000 0.119 0.000 0.949 519 F CB 1.489 40.550 39.000 0.102 0.000 1.322 519 F HN 0.312 nan 8.300 nan 0.000 0.461 520 V N 3.059 123.114 119.914 0.235 0.000 2.487 520 V HA 0.554 4.673 4.120 -0.001 0.000 0.298 520 V C -0.520 175.674 176.094 0.166 0.000 1.028 520 V CA -0.774 61.526 62.300 0.000 0.000 0.860 520 V CB 1.657 33.303 31.823 -0.296 0.000 0.991 520 V HN 0.703 nan 8.190 nan 0.000 0.427 521 R N 2.623 123.221 120.500 0.163 0.000 2.368 521 R HA 0.763 5.102 4.340 -0.001 0.000 0.302 521 R C -0.467 175.899 176.300 0.110 0.000 1.002 521 R CA -0.317 55.870 56.100 0.145 0.000 0.929 521 R CB 1.701 32.085 30.300 0.141 0.000 1.073 521 R HN 0.741 nan 8.270 nan 0.000 0.464 522 T N 0.473 115.069 114.554 0.070 0.000 2.916 522 T HA 0.473 4.823 4.350 -0.001 0.000 0.305 522 T C -1.208 173.474 174.700 -0.031 0.000 1.119 522 T CA -0.651 61.469 62.100 0.033 0.000 1.008 522 T CB 2.240 71.175 68.868 0.112 0.000 1.129 522 T HN 0.301 nan 8.240 nan 0.000 0.480 523 V N 3.728 123.594 119.914 -0.081 0.000 2.789 523 V HA 0.464 4.583 4.120 -0.001 0.000 0.300 523 V C -0.937 175.097 176.094 -0.101 0.000 1.184 523 V CA -0.335 61.922 62.300 -0.071 0.000 0.930 523 V CB 1.529 33.322 31.823 -0.051 0.000 1.041 523 V HN 0.917 nan 8.190 nan 0.000 0.430 524 Q N 3.810 123.559 119.800 -0.085 0.000 1.520 524 Q HA -0.223 4.116 4.340 -0.001 0.000 0.380 524 Q C 0.391 176.300 176.000 -0.152 0.000 0.930 524 Q CA 2.065 57.816 55.803 -0.086 0.000 0.725 524 Q CB -0.943 27.758 28.738 -0.062 0.000 4.230 524 Q HN 0.946 nan 8.270 nan 0.000 0.635 525 D N 1.214 121.527 120.400 -0.146 0.000 2.328 525 D HA 0.036 4.675 4.640 -0.001 0.000 0.221 525 D C 0.378 176.499 176.300 -0.299 0.000 1.072 525 D CA 0.234 54.109 54.000 -0.209 0.000 0.850 525 D CB 0.166 40.898 40.800 -0.113 0.000 0.922 525 D HN 0.219 nan 8.370 nan 0.000 0.516 526 Q N 0.482 120.134 119.800 -0.246 0.000 2.261 526 Q HA 0.205 4.544 4.340 -0.001 0.000 0.252 526 Q C -0.992 174.847 176.000 -0.268 0.000 0.915 526 Q CA -0.105 55.619 55.803 -0.131 0.000 0.915 526 Q CB 0.698 29.462 28.738 0.044 0.000 1.204 526 Q HN 0.191 nan 8.270 nan 0.000 0.421 527 H N 1.075 120.198 119.070 0.088 0.000 2.759 527 H HA 0.478 5.034 4.556 -0.001 0.000 0.354 527 H C -1.397 174.023 175.328 0.154 0.000 1.074 527 H CA -0.795 55.298 56.048 0.075 0.000 1.226 527 H CB 1.962 31.755 29.762 0.052 0.000 1.648 527 H HN 0.313 nan 8.280 nan 0.000 0.529 528 V N 3.136 123.181 119.914 0.219 0.000 2.419 528 V HA 0.413 4.533 4.120 -0.001 0.000 0.287 528 V C 0.333 176.415 176.094 -0.019 0.000 1.017 528 V CA -0.762 61.636 62.300 0.164 0.000 0.844 528 V CB 1.564 33.476 31.823 0.149 0.000 1.011 528 V HN 0.953 nan 8.190 nan 0.000 0.429 529 G N 3.604 112.327 108.800 -0.129 0.000 2.325 529 G HA2 0.535 4.494 3.960 -0.001 0.000 0.298 529 G HA3 0.535 4.494 3.960 -0.001 0.000 0.298 529 G C -0.634 174.189 174.900 -0.129 0.000 1.134 529 G CA -0.307 44.626 45.100 -0.277 0.000 0.876 529 G HN 0.515 nan 8.290 nan 0.000 0.452 530 V N 3.419 123.098 119.914 -0.391 0.000 2.350 530 V HA 0.288 4.408 4.120 -0.001 0.000 0.276 530 V C -0.010 175.929 176.094 -0.258 0.000 1.028 530 V CA -0.623 61.415 62.300 -0.437 0.000 0.860 530 V CB 1.345 32.600 31.823 -0.947 0.000 0.990 530 V HN 0.499 nan 8.190 nan 0.000 0.453 531 V N 6.998 126.874 119.914 -0.063 0.000 2.370 531 V HA 0.494 4.613 4.120 -0.001 0.000 0.283 531 V C -0.185 175.942 176.094 0.055 0.000 1.023 531 V CA -0.461 61.810 62.300 -0.048 0.000 0.857 531 V CB 1.486 33.244 31.823 -0.108 0.000 0.985 531 V HN 0.640 nan 8.190 nan 0.000 0.443 532 L N 4.175 125.479 121.223 0.134 0.000 2.325 532 L HA 0.558 4.897 4.340 -0.001 0.000 0.281 532 L C -0.117 176.885 176.870 0.219 0.000 1.004 532 L CA -0.547 54.443 54.840 0.249 0.000 0.823 532 L CB 1.667 44.001 42.059 0.458 0.000 1.236 532 L HN 0.582 nan 8.230 nan 0.000 0.415 533 N N 2.116 120.924 118.700 0.181 0.000 3.091 533 N HA 0.042 4.781 4.740 -0.001 0.000 0.255 533 N C -0.096 175.536 175.510 0.204 0.000 1.204 533 N CA -0.278 52.857 53.050 0.142 0.000 0.990 533 N CB 0.195 38.727 38.487 0.075 0.000 1.260 533 N HN 0.466 nan 8.380 nan 0.000 0.502 534 N N 2.004 120.807 118.700 0.172 0.000 3.193 534 N HA 0.081 4.820 4.740 -0.001 0.000 0.312 534 N C -0.928 174.666 175.510 0.140 0.000 1.261 534 N CA 0.065 53.168 53.050 0.089 0.000 1.208 534 N CB -0.217 38.012 38.487 -0.430 0.000 1.471 534 N HN 0.487 nan 8.380 nan 0.000 0.548 535 R N -0.713 119.934 120.500 0.245 0.000 2.643 535 R HA 0.346 4.685 4.340 -0.001 0.000 0.269 535 R C 0.690 176.793 176.300 -0.328 0.000 1.037 535 R CA -0.699 55.434 56.100 0.055 0.000 0.894 535 R CB 0.632 30.927 30.300 -0.008 0.000 1.238 535 R HN 0.259 nan 8.270 nan 0.000 0.459 536 G N 1.630 110.197 108.800 -0.388 0.000 2.598 536 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.215 536 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.215 536 G C 0.077 174.767 174.900 -0.350 0.000 1.131 536 G CA 0.421 45.169 45.100 -0.587 0.000 0.785 536 G HN 0.464 nan 8.290 nan 0.000 0.539 537 E N 0.020 120.089 120.200 -0.218 0.000 2.314 537 E HA 0.248 4.597 4.350 -0.001 0.000 0.262 537 E C -0.274 176.249 176.600 -0.128 0.000 1.093 537 E CA -0.544 55.771 56.400 -0.142 0.000 0.908 537 E CB 1.386 31.032 29.700 -0.091 0.000 1.091 537 E HN 0.157 nan 8.360 nan 0.000 0.425 538 K N 1.646 121.990 120.400 -0.093 0.000 2.234 538 K HA 0.144 4.463 4.320 -0.001 0.000 0.282 538 K C -0.446 176.119 176.600 -0.057 0.000 1.039 538 K CA 0.006 56.250 56.287 -0.071 0.000 0.928 538 K CB 0.720 33.186 32.500 -0.057 0.000 1.039 538 K HN 0.342 nan 8.250 nan 0.000 0.470 539 Q N 1.376 121.146 119.800 -0.050 0.000 2.495 539 Q HA 0.398 4.737 4.340 -0.001 0.000 0.287 539 Q C -1.341 174.629 176.000 -0.051 0.000 1.078 539 Q CA -0.875 54.900 55.803 -0.047 0.000 0.793 539 Q CB 2.688 31.401 28.738 -0.042 0.000 1.459 539 Q HN 0.667 nan 8.270 nan 0.000 0.422 540 T N 0.254 114.775 114.554 -0.055 0.000 2.932 540 T HA 0.742 5.091 4.350 -0.001 0.000 0.289 540 T C -1.535 173.107 174.700 -0.098 0.000 1.039 540 T CA -0.623 61.436 62.100 -0.069 0.000 1.024 540 T CB 1.715 70.551 68.868 -0.053 0.000 1.090 540 T HN 0.361 nan 8.240 nan 0.000 0.496 541 V N 2.057 121.889 119.914 -0.137 0.000 3.023 541 V HA 0.659 4.778 4.120 -0.001 0.000 0.294 541 V C -2.072 173.883 176.094 -0.232 0.000 1.324 541 V CA -0.892 61.280 62.300 -0.213 0.000 0.979 541 V CB 2.111 33.733 31.823 -0.335 0.000 1.093 541 V HN 0.752 nan 8.190 nan 0.000 0.434 542 L N 6.415 127.502 121.223 -0.226 0.000 2.295 542 L HA 0.747 5.086 4.340 -0.001 0.000 0.285 542 L C -1.097 175.612 176.870 -0.268 0.000 1.035 542 L CA -0.022 54.711 54.840 -0.178 0.000 0.806 542 L CB 1.361 43.369 42.059 -0.085 0.000 1.214 542 L HN 0.688 nan 8.230 nan 0.000 0.426 543 L N 4.394 125.463 121.223 -0.257 0.000 2.381 543 L HA 0.452 4.791 4.340 -0.001 0.000 0.274 543 L C -0.508 176.338 176.870 -0.041 0.000 0.988 543 L CA -1.004 53.646 54.840 -0.317 0.000 0.824 543 L CB 1.886 43.533 42.059 -0.687 0.000 1.263 543 L HN 0.551 nan 8.230 nan 0.000 0.410 544 Q N 2.427 122.269 119.800 0.070 0.000 2.311 544 Q HA 0.357 4.696 4.340 -0.001 0.000 0.272 544 Q C -0.737 175.443 176.000 0.300 0.000 1.012 544 Q CA 0.263 56.168 55.803 0.170 0.000 0.891 544 Q CB 1.091 29.932 28.738 0.172 0.000 1.201 544 Q HN 0.418 nan 8.270 nan 0.000 0.391 545 V N 1.590 121.629 119.914 0.209 0.000 2.707 545 V HA 0.396 4.515 4.120 -0.001 0.000 0.271 545 V C -2.620 173.588 176.094 0.190 0.000 1.013 545 V CA -2.059 60.365 62.300 0.207 0.000 0.908 545 V CB 1.242 33.194 31.823 0.214 0.000 1.051 545 V HN 0.568 nan 8.190 nan 0.000 0.476 546 P HA 0.178 nan 4.420 nan 0.000 0.267 546 P C 0.888 178.248 177.300 0.100 0.000 1.200 546 P CA 0.195 63.351 63.100 0.093 0.000 0.772 546 P CB 0.674 32.408 31.700 0.056 0.000 0.855 547 E N 0.329 120.572 120.200 0.072 0.000 2.515 547 E HA -0.095 4.254 4.350 -0.001 0.000 0.201 547 E C 1.301 177.907 176.600 0.011 0.000 1.071 547 E CA 0.621 57.046 56.400 0.042 0.000 0.880 547 E CB -0.158 29.559 29.700 0.028 0.000 0.828 547 E HN 0.399 nan 8.360 nan 0.000 0.540 548 S N 0.596 116.310 115.700 0.024 0.000 2.338 548 S HA -0.099 4.370 4.470 -0.001 0.000 0.218 548 S C 2.113 176.726 174.600 0.022 0.000 1.032 548 S CA 1.103 59.315 58.200 0.019 0.000 0.999 548 S CB -0.419 62.799 63.200 0.030 0.000 0.905 548 S HN 0.494 nan 8.310 nan 0.000 0.439 549 G N 0.551 109.364 108.800 0.021 0.000 2.509 549 G HA2 0.392 4.352 3.960 -0.001 0.000 0.218 549 G HA3 0.392 4.352 3.960 -0.001 0.000 0.218 549 G C 0.522 175.410 174.900 -0.021 0.000 1.124 549 G CA 0.610 45.732 45.100 0.036 0.000 0.776 549 G HN 0.899 nan 8.290 nan 0.000 0.547 550 G N -1.573 107.146 108.800 -0.135 0.000 2.321 550 G HA2 0.239 4.198 3.960 -0.001 0.000 0.339 550 G HA3 0.239 4.198 3.960 -0.001 0.000 0.339 550 G C -0.259 174.316 174.900 -0.542 0.000 1.518 550 G CA -0.434 44.410 45.100 -0.426 0.000 0.994 550 G HN -0.062 nan 8.290 nan 0.000 0.668 551 K N -0.502 119.589 120.400 -0.516 0.000 2.358 551 K HA 0.385 4.704 4.320 -0.001 0.000 0.200 551 K C 0.542 176.941 176.600 -0.334 0.000 1.030 551 K CA 0.740 56.855 56.287 -0.287 0.000 1.097 551 K CB 0.841 33.281 32.500 -0.100 0.000 0.862 551 K HN 0.866 nan 8.250 nan 0.000 0.534 552 T N -0.632 113.431 114.554 -0.818 0.000 3.047 552 T HA 0.462 4.811 4.350 -0.001 0.000 0.340 552 T C -1.858 172.414 174.700 -0.713 0.000 1.421 552 T CA -0.690 61.113 62.100 -0.494 0.000 1.090 552 T CB 0.771 69.447 68.868 -0.320 0.000 1.292 552 T HN 0.063 nan 8.240 nan 0.000 0.480 553 W N 3.169 124.357 121.300 -0.186 0.000 2.902 553 W HA 0.729 5.388 4.660 -0.001 0.000 0.346 553 W C -1.110 175.347 176.519 -0.103 0.000 1.139 553 W CA -0.946 56.315 57.345 -0.141 0.000 1.139 553 W CB 2.029 31.455 29.460 -0.056 0.000 1.439 553 W HN 0.587 nan 8.180 nan 0.000 0.558 554 L N 2.102 123.462 121.223 0.227 0.000 2.381 554 L HA 0.317 4.656 4.340 -0.001 0.000 0.274 554 L C -0.451 176.562 176.870 0.239 0.000 0.988 554 L CA -0.114 54.846 54.840 0.199 0.000 0.824 554 L CB 1.239 43.441 42.059 0.238 0.000 1.263 554 L HN 0.199 nan 8.230 nan 0.000 0.410 555 D N 3.644 124.144 120.400 0.166 0.000 2.374 555 D HA 0.077 4.716 4.640 -0.001 0.000 0.240 555 D C 0.854 177.230 176.300 0.127 0.000 1.229 555 D CA -0.056 54.027 54.000 0.138 0.000 0.895 555 D CB 0.873 41.734 40.800 0.101 0.000 1.046 555 D HN 0.739 nan 8.370 nan 0.000 0.498 556 C N 3.461 122.838 119.300 0.128 0.000 2.409 556 C HA -0.066 4.393 4.460 -0.001 0.000 0.288 556 C C 2.446 177.468 174.990 0.054 0.000 1.395 556 C CA 0.182 59.247 59.018 0.078 0.000 1.792 556 C CB -0.958 26.800 27.740 0.030 0.000 1.847 556 C HN 0.676 nan 8.230 nan 0.000 0.534 557 L N 0.309 121.574 121.223 0.071 0.000 2.529 557 L HA 0.040 4.379 4.340 -0.001 0.000 0.223 557 L C 2.235 179.158 176.870 0.089 0.000 1.113 557 L CA 1.481 56.370 54.840 0.082 0.000 0.861 557 L CB -0.166 41.961 42.059 0.113 0.000 1.012 557 L HN 0.535 nan 8.230 nan 0.000 0.461 558 T N -6.463 108.140 114.554 0.082 0.000 3.080 558 T HA 0.243 4.592 4.350 -0.001 0.000 0.280 558 T C 1.326 176.068 174.700 0.071 0.000 0.926 558 T CA 0.505 62.650 62.100 0.075 0.000 0.883 558 T CB 1.004 69.915 68.868 0.071 0.000 1.194 558 T HN 0.220 nan 8.240 nan 0.000 0.541 559 G N 1.736 110.582 108.800 0.078 0.000 2.184 559 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.264 559 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.264 559 G C -0.106 174.841 174.900 0.078 0.000 0.975 559 G CA 0.431 45.578 45.100 0.079 0.000 0.642 559 G HN 0.918 nan 8.290 nan 0.000 0.536 560 E N 0.822 121.068 120.200 0.076 0.000 2.413 560 E HA 0.357 4.706 4.350 -0.001 0.000 0.263 560 E C 0.188 176.831 176.600 0.071 0.000 1.015 560 E CA 0.114 56.556 56.400 0.071 0.000 0.916 560 E CB 0.286 30.027 29.700 0.067 0.000 0.947 560 E HN 0.495 nan 8.360 nan 0.000 0.440 561 E N 2.823 123.059 120.200 0.059 0.000 2.195 561 E HA 0.450 4.799 4.350 -0.001 0.000 0.271 561 E C -1.514 175.082 176.600 -0.007 0.000 0.923 561 E CA -0.977 55.426 56.400 0.006 0.000 0.790 561 E CB 1.606 31.310 29.700 0.007 0.000 1.155 561 E HN 0.318 nan 8.360 nan 0.000 0.402 562 V N 0.947 120.800 119.914 -0.102 0.000 2.777 562 V HA 0.524 4.643 4.120 -0.001 0.000 0.306 562 V C -1.453 174.602 176.094 -0.065 0.000 1.112 562 V CA -0.882 61.423 62.300 0.009 0.000 0.917 562 V CB 1.198 33.076 31.823 0.092 0.000 1.018 562 V HN 0.728 nan 8.190 nan 0.000 0.426 563 H N 2.425 121.595 119.070 0.167 0.000 2.567 563 H HA 0.888 5.443 4.556 -0.001 0.000 0.345 563 H C 0.531 175.989 175.328 0.216 0.000 1.169 563 H CA 0.082 56.240 56.048 0.183 0.000 1.227 563 H CB 1.953 31.768 29.762 0.088 0.000 1.607 563 H HN 1.129 nan 8.280 nan 0.000 0.534 564 G N 0.399 109.433 108.800 0.390 0.000 2.379 564 G HA2 0.513 4.473 3.960 -0.001 0.000 0.327 564 G HA3 0.513 4.473 3.960 -0.001 0.000 0.327 564 G C -1.019 174.000 174.900 0.198 0.000 1.145 564 G CA -1.105 44.181 45.100 0.311 0.000 0.905 564 G HN 0.514 nan 8.290 nan 0.000 0.466 565 K N 1.053 121.536 120.400 0.139 0.000 2.339 565 K HA 0.502 4.821 4.320 -0.001 0.000 0.264 565 K C 0.028 176.676 176.600 0.079 0.000 0.986 565 K CA -1.021 55.321 56.287 0.092 0.000 0.866 565 K CB 1.484 34.023 32.500 0.065 0.000 1.103 565 K HN 0.606 nan 8.250 nan 0.000 0.441 566 Q N 1.775 121.617 119.800 0.071 0.000 2.463 566 Q HA -0.239 4.100 4.340 -0.001 0.000 0.299 566 Q C 0.676 176.720 176.000 0.074 0.000 1.353 566 Q CA 0.745 56.585 55.803 0.061 0.000 0.828 566 Q CB -2.176 26.590 28.738 0.045 0.000 1.157 566 Q HN 1.270 nan 8.270 nan 0.000 0.436 567 G N -1.351 107.509 108.800 0.100 0.000 2.212 567 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.266 567 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.266 567 G C 0.076 175.047 174.900 0.118 0.000 0.978 567 G CA 0.680 45.850 45.100 0.116 0.000 0.632 567 G HN 0.376 nan 8.290 nan 0.000 0.537 568 Q N -0.578 119.281 119.800 0.098 0.000 2.235 568 Q HA 0.704 5.043 4.340 -0.001 0.000 0.256 568 Q C -0.472 175.573 176.000 0.076 0.000 0.951 568 Q CA -0.541 55.304 55.803 0.070 0.000 0.890 568 Q CB 2.492 31.256 28.738 0.044 0.000 1.279 568 Q HN 0.381 nan 8.270 nan 0.000 0.444 569 L N 2.296 123.532 121.223 0.022 0.000 2.415 569 L HA 0.380 4.719 4.340 -0.001 0.000 0.268 569 L C -0.793 176.040 176.870 -0.062 0.000 0.984 569 L CA -0.399 54.441 54.840 0.000 0.000 0.853 569 L CB 1.406 43.423 42.059 -0.070 0.000 1.215 569 L HN 0.456 nan 8.230 nan 0.000 0.419 570 K N 5.467 125.852 120.400 -0.025 0.000 2.258 570 K HA 0.616 4.935 4.320 -0.001 0.000 0.284 570 K C -1.418 175.149 176.600 -0.055 0.000 1.051 570 K CA -0.337 55.920 56.287 -0.049 0.000 0.923 570 K CB 0.787 33.276 32.500 -0.018 0.000 1.046 570 K HN 0.567 nan 8.250 nan 0.000 0.474 571 L N 2.803 123.968 121.223 -0.097 0.000 2.370 571 L HA 0.453 4.793 4.340 -0.001 0.000 0.266 571 L C -0.674 176.150 176.870 -0.076 0.000 1.002 571 L CA -0.980 53.808 54.840 -0.087 0.000 0.818 571 L CB 2.546 44.522 42.059 -0.138 0.000 1.325 571 L HN 0.623 nan 8.230 nan 0.000 0.418 572 T N 3.371 117.897 114.554 -0.047 0.000 2.930 572 T HA 0.489 4.839 4.350 -0.001 0.000 0.313 572 T C -0.370 174.313 174.700 -0.028 0.000 1.019 572 T CA -0.472 61.605 62.100 -0.038 0.000 1.004 572 T CB 0.880 69.734 68.868 -0.023 0.000 0.987 572 T HN 0.147 nan 8.240 nan 0.000 0.456 573 L N 2.507 123.710 121.223 -0.034 0.000 2.387 573 L HA 0.628 4.967 4.340 -0.001 0.000 0.266 573 L C 0.828 177.687 176.870 -0.018 0.000 1.059 573 L CA -0.751 54.079 54.840 -0.016 0.000 0.801 573 L CB 0.991 43.043 42.059 -0.010 0.000 1.223 573 L HN 0.461 nan 8.230 nan 0.000 0.456 574 R N 0.537 121.032 120.500 -0.008 0.000 2.758 574 R HA 0.393 4.733 4.340 -0.001 0.000 0.265 574 R C -2.314 173.960 176.300 -0.044 0.000 1.016 574 R CA -1.865 54.219 56.100 -0.027 0.000 1.040 574 R CB 0.800 31.091 30.300 -0.015 0.000 1.152 574 R HN 0.313 nan 8.270 nan 0.000 0.503 575 P HA -0.155 nan 4.420 nan 0.000 0.253 575 P C -0.954 176.264 177.300 -0.136 0.000 1.159 575 P CA 1.224 64.175 63.100 -0.249 0.000 0.779 575 P CB -0.204 31.308 31.700 -0.313 0.000 0.745 576 Y N -1.090 119.211 120.300 0.001 0.000 4.409 576 Y HA -0.307 4.242 4.550 -0.002 0.000 0.228 576 Y C 1.081 176.996 175.900 0.025 0.000 1.108 576 Y CA -0.296 57.812 58.100 0.014 0.000 1.955 576 Y CB -1.449 37.013 38.460 0.003 0.000 1.615 576 Y HN 0.453 nan 8.280 nan 0.000 0.665 577 Q N 1.038 120.929 119.800 0.151 0.000 2.312 577 Q HA 0.562 4.902 4.340 -0.001 0.000 0.236 577 Q C 0.433 176.510 176.000 0.129 0.000 0.965 577 Q CA 0.378 56.248 55.803 0.111 0.000 0.894 577 Q CB 1.511 30.288 28.738 0.064 0.000 1.225 577 Q HN 0.344 nan 8.270 nan 0.000 0.478 578 G N 2.219 111.097 108.800 0.129 0.000 2.701 578 G HA2 0.574 4.534 3.960 -0.001 0.000 0.300 578 G HA3 0.574 4.534 3.960 -0.001 0.000 0.300 578 G C -1.201 173.764 174.900 0.108 0.000 1.410 578 G CA -0.649 44.532 45.100 0.135 0.000 1.014 578 G HN 0.541 nan 8.290 nan 0.000 0.509 579 M N 1.526 121.171 119.600 0.075 0.000 2.508 579 M HA 0.527 5.006 4.480 -0.001 0.000 0.327 579 M C -0.647 175.682 176.300 0.048 0.000 1.160 579 M CA -0.601 54.736 55.300 0.062 0.000 0.980 579 M CB 2.763 35.388 32.600 0.041 0.000 1.693 579 M HN 0.269 nan 8.290 nan 0.000 0.452 580 I N 4.167 124.774 120.570 0.061 0.000 2.621 580 I HA 0.291 4.460 4.170 -0.001 0.000 0.276 580 I C -0.960 175.224 176.117 0.113 0.000 1.118 580 I CA -0.318 61.014 61.300 0.053 0.000 1.159 580 I CB 0.479 38.501 38.000 0.037 0.000 1.357 580 I HN 0.507 nan 8.210 nan 0.000 0.513 581 L N 4.025 125.318 121.223 0.116 0.000 2.361 581 L HA 0.215 4.555 4.340 -0.001 0.000 0.278 581 L C -0.604 176.482 176.870 0.361 0.000 1.113 581 L CA -0.042 54.921 54.840 0.206 0.000 0.849 581 L CB 0.290 42.391 42.059 0.070 0.000 1.155 581 L HN 0.538 nan 8.230 nan 0.000 0.452 582 W N 5.516 126.945 121.300 0.214 0.000 2.478 582 W HA 0.301 4.961 4.660 -0.001 0.000 0.318 582 W C 0.913 177.547 176.519 0.192 0.000 1.062 582 W CA -1.068 56.385 57.345 0.180 0.000 1.210 582 W CB 0.903 30.408 29.460 0.073 0.000 1.325 582 W HN 0.597 nan 8.180 nan 0.000 0.496 583 N N 3.763 122.285 118.700 -0.296 0.000 2.521 583 N HA 0.059 4.798 4.740 -0.001 0.000 0.188 583 N C 1.259 176.117 175.510 -1.087 0.000 1.146 583 N CA 0.997 53.612 53.050 -0.726 0.000 0.893 583 N CB -0.090 38.166 38.487 -0.386 0.000 0.975 583 N HN 1.040 nan 8.380 nan 0.000 0.451 584 G N -0.056 107.471 108.800 -2.120 0.000 2.253 584 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.251 584 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.251 584 G C 0.316 174.721 174.900 -0.825 0.000 0.998 584 G CA 0.326 44.260 45.100 -1.943 0.000 0.621 584 G HN 0.533 nan 8.290 nan 0.000 0.524 585 R N 0.000 120.232 120.500 -0.446 0.000 2.786 585 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 585 R CA 0.000 56.061 56.100 -0.065 0.000 0.921 585 R CB 0.000 30.228 30.300 -0.120 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535