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 2xh1_1_A DATA FIRST_RESID -1 DATA SEQUENCE EXXNYARFIT AASAARNPSP IXXXXXXXXX XXXXMISLAG GLPNPNMFPF DATA SEQUENCE KTAVITVENG KTIQFGEEMM KRALQYSPSA GIPELLSWLK QLQIKLHNPP DATA SEQUENCE TIHYPPSQGQ MDLCVTSGSQ QGLCKVFEMI INPGDNVLLD EPAYSGTLQS DATA SEQUENCE LHPLGCNIIN VASDESGIVP DSLRDILSRW KPEDAKNPQK NTPKFLYTVP DATA SEQUENCE NGNNPTGNSL TSERKKEIYE LARKYDFLII EDDPYYFLQF NKFRVPTFLS DATA SEQUENCE MDVDGRVIRA DSFSKIISSG LRIGFLTGPK PLIERVILHI QVSTLHPSTF DATA SEQUENCE NQLMISQLLH EWGEEGFMAH VDRVIDFYSN QKDAILAAAD KWLTGLAEWH DATA SEQUENCE VPAAGMFLWI KVKGINDVKE LIEEKAVKMG VLMLPGNAFY VDSSAPSPYL DATA SEQUENCE RASFSSASPE QMDVAFQVLA QLIKESL 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 E HA 0.000 nan 4.350 nan 0.000 0.291 -1 E C 0.000 176.507 176.600 -0.155 0.000 1.382 -1 E CA 0.000 56.203 56.400 -0.329 0.000 0.976 -1 E CB 0.000 29.604 29.700 -0.160 0.000 0.812 3 Y N 0.330 120.722 120.300 0.153 0.000 2.527 3 Y HA 0.428 4.978 4.550 0.000 0.000 0.247 3 Y C 1.745 177.788 175.900 0.238 0.000 1.138 3 Y CA 0.506 58.780 58.100 0.290 0.000 1.228 3 Y CB 0.435 39.021 38.460 0.211 0.000 1.252 3 Y HN 0.679 nan 8.280 nan 0.000 0.531 4 A N 1.372 124.315 122.820 0.205 0.000 1.927 4 A HA -0.297 4.023 4.320 0.000 0.000 0.220 4 A C 2.266 179.876 177.584 0.044 0.000 1.185 4 A CA 2.394 54.498 52.037 0.112 0.000 0.639 4 A CB -0.580 18.452 19.000 0.053 0.000 0.820 4 A HN 0.604 nan 8.150 nan 0.000 0.451 5 R N -1.885 118.563 120.500 -0.086 0.000 2.241 5 R HA 0.000 4.341 4.340 0.000 0.000 0.224 5 R C 1.331 177.470 176.300 -0.267 0.000 1.101 5 R CA 1.647 57.606 56.100 -0.235 0.000 0.995 5 R CB -0.637 29.418 30.300 -0.408 0.000 0.870 5 R HN 0.459 nan 8.270 nan 0.000 0.463 6 F N 1.590 121.589 119.950 0.083 0.000 2.664 6 F HA 0.259 4.786 4.527 0.000 0.000 0.296 6 F C 1.313 177.180 175.800 0.112 0.000 1.125 6 F CA -0.295 57.773 58.000 0.114 0.000 1.444 6 F CB 0.269 39.373 39.000 0.174 0.000 1.114 6 F HN 0.035 nan 8.300 nan 0.000 0.576 7 I N -2.469 118.243 120.570 0.237 0.000 2.863 7 I HA 0.546 4.716 4.170 0.000 0.000 0.311 7 I C 0.312 176.490 176.117 0.102 0.000 1.026 7 I CA -0.936 60.469 61.300 0.176 0.000 1.077 7 I CB 1.577 39.673 38.000 0.160 0.000 1.262 7 I HN -0.149 nan 8.210 nan 0.000 0.461 8 T N 0.875 115.478 114.554 0.082 0.000 2.882 8 T HA 0.494 4.844 4.350 0.000 0.000 0.287 8 T C 1.174 175.892 174.700 0.030 0.000 1.014 8 T CA -0.115 62.015 62.100 0.049 0.000 1.049 8 T CB 1.540 70.433 68.868 0.042 0.000 1.001 8 T HN 0.882 nan 8.240 nan 0.000 0.525 9 A N 1.691 124.521 122.820 0.017 0.000 1.917 9 A HA 0.064 4.384 4.320 0.000 0.000 0.219 9 A C 2.650 180.233 177.584 -0.002 0.000 1.182 9 A CA 2.149 54.190 52.037 0.007 0.000 0.633 9 A CB -1.584 17.418 19.000 0.002 0.000 0.819 9 A HN 1.292 nan 8.150 nan 0.000 0.448 10 A N -1.074 121.740 122.820 -0.010 0.000 1.902 10 A HA -0.094 4.226 4.320 0.000 0.000 0.217 10 A C 2.496 180.053 177.584 -0.045 0.000 1.181 10 A CA 2.189 54.206 52.037 -0.033 0.000 0.623 10 A CB -0.992 17.979 19.000 -0.047 0.000 0.818 10 A HN 0.575 nan 8.150 nan 0.000 0.443 11 S N -0.426 115.257 115.700 -0.029 0.000 2.368 11 S HA -0.038 4.433 4.470 0.000 0.000 0.225 11 S C 2.150 176.747 174.600 -0.005 0.000 1.030 11 S CA 1.526 59.710 58.200 -0.026 0.000 0.999 11 S CB -0.460 62.748 63.200 0.014 0.000 0.844 11 S HN 0.821 nan 8.310 nan 0.000 0.459 12 A N 0.801 123.629 122.820 0.013 0.000 2.015 12 A HA 0.284 4.604 4.320 0.000 0.000 0.219 12 A C 2.243 179.832 177.584 0.008 0.000 1.163 12 A CA 1.555 53.604 52.037 0.021 0.000 0.646 12 A CB -0.939 18.079 19.000 0.029 0.000 0.806 12 A HN 0.713 nan 8.150 nan 0.000 0.448 13 A N -0.486 122.331 122.820 -0.004 0.000 2.167 13 A HA 0.085 4.406 4.320 0.000 0.000 0.214 13 A C 1.337 178.914 177.584 -0.011 0.000 1.151 13 A CA -0.066 51.966 52.037 -0.008 0.000 0.735 13 A CB -0.182 18.809 19.000 -0.014 0.000 0.802 13 A HN 0.509 nan 8.150 nan 0.000 0.467 14 R N 0.975 121.465 120.500 -0.017 0.000 2.543 14 R HA 0.241 4.581 4.340 0.000 0.000 0.277 14 R C -0.955 175.343 176.300 -0.004 0.000 1.074 14 R CA -0.019 56.070 56.100 -0.019 0.000 1.076 14 R CB 0.242 30.526 30.300 -0.027 0.000 0.993 14 R HN 0.328 nan 8.270 nan 0.000 0.459 15 N N 2.577 121.276 118.700 -0.002 0.000 2.240 15 N HA 0.378 5.119 4.740 0.000 0.000 0.302 15 N C -2.529 172.984 175.510 0.005 0.000 1.106 15 N CA -1.576 51.476 53.050 0.003 0.000 0.778 15 N CB 1.746 40.234 38.487 0.002 0.000 1.431 15 N HN 0.363 nan 8.380 nan 0.000 0.479 16 P HA 0.101 nan 4.420 nan 0.000 0.272 16 P C -0.206 177.096 177.300 0.004 0.000 1.223 16 P CA -0.209 62.895 63.100 0.007 0.000 0.784 16 P CB 0.376 32.080 31.700 0.007 0.000 0.923 17 S N 1.941 117.642 115.700 0.002 0.000 2.579 17 S HA 0.172 4.643 4.470 0.000 0.000 0.275 17 S C -1.716 172.882 174.600 -0.002 0.000 1.345 17 S CA -0.813 57.386 58.200 -0.002 0.000 1.031 17 S CB -0.656 62.540 63.200 -0.007 0.000 0.892 17 S HN 0.356 nan 8.310 nan 0.000 0.529 18 P HA 0.288 nan 4.420 nan 0.000 0.258 18 P C 0.115 177.413 177.300 -0.004 0.000 1.403 18 P CA -0.308 62.790 63.100 -0.002 0.000 0.826 18 P CB -0.913 30.786 31.700 -0.002 0.000 1.414 34 I N 2.737 123.305 120.570 -0.004 0.000 2.354 34 I HA 0.660 4.830 4.170 0.000 0.000 0.286 34 I C -1.212 174.903 176.117 -0.002 0.000 1.007 34 I CA 0.266 61.564 61.300 -0.004 0.000 1.167 34 I CB 1.421 39.419 38.000 -0.004 0.000 1.320 34 I HN 0.603 nan 8.210 nan 0.000 0.458 35 S N 7.411 123.110 115.700 -0.002 0.000 2.410 35 S HA 0.463 4.933 4.470 0.000 0.000 0.304 35 S C 0.424 175.024 174.600 0.001 0.000 1.095 35 S CA -0.625 57.575 58.200 0.000 0.000 1.089 35 S CB 0.357 63.558 63.200 0.001 0.000 0.968 35 S HN 0.717 nan 8.310 nan 0.000 0.480 36 L N 4.132 125.356 121.223 0.002 0.000 2.769 36 L HA 0.339 4.679 4.340 0.000 0.000 0.240 36 L C 1.790 178.662 176.870 0.005 0.000 1.163 36 L CA 0.032 54.874 54.840 0.003 0.000 0.962 36 L CB -0.168 41.892 42.059 0.002 0.000 1.258 36 L HN 0.773 nan 8.230 nan 0.000 0.513 37 A N -0.019 122.803 122.820 0.004 0.000 2.308 37 A HA 0.427 4.747 4.320 0.000 0.000 0.217 37 A C 1.137 178.723 177.584 0.005 0.000 1.216 37 A CA 0.345 52.385 52.037 0.003 0.000 0.864 37 A CB -0.065 18.935 19.000 0.001 0.000 0.902 37 A HN 0.312 nan 8.150 nan 0.000 0.499 38 G N -2.051 106.755 108.800 0.010 0.000 2.491 38 G HA2 0.449 4.409 3.960 0.000 0.000 0.327 38 G HA3 0.449 4.409 3.960 0.000 0.000 0.327 38 G C 0.497 175.412 174.900 0.024 0.000 1.189 38 G CA 0.006 45.115 45.100 0.015 0.000 0.956 38 G HN 0.477 nan 8.290 nan 0.000 0.491 39 G N -0.373 108.445 108.800 0.030 0.000 3.690 39 G HA2 0.351 4.311 3.960 0.000 0.000 0.283 39 G HA3 0.351 4.311 3.960 0.000 0.000 0.283 39 G C 0.358 175.336 174.900 0.130 0.000 1.057 39 G CA -0.401 44.730 45.100 0.051 0.000 0.821 39 G HN 0.409 nan 8.290 nan 0.000 0.526 40 L N 2.794 124.102 121.223 0.141 0.000 2.361 40 L HA 0.258 4.598 4.340 0.000 0.000 0.278 40 L C -1.457 175.500 176.870 0.145 0.000 1.113 40 L CA -1.566 53.402 54.840 0.213 0.000 0.849 40 L CB 0.678 42.825 42.059 0.148 0.000 1.155 40 L HN 0.058 nan 8.230 nan 0.000 0.452 41 P HA -0.030 nan 4.420 nan 0.000 0.270 41 P C -0.578 176.664 177.300 -0.096 0.000 1.223 41 P CA -0.414 62.721 63.100 0.059 0.000 0.785 41 P CB 0.496 32.283 31.700 0.145 0.000 0.923 42 N N 2.517 121.105 118.700 -0.187 0.000 2.431 42 N HA 0.024 4.765 4.740 0.000 0.000 0.265 42 N C -1.392 173.765 175.510 -0.588 0.000 1.184 42 N CA -1.238 51.652 53.050 -0.265 0.000 0.943 42 N CB 0.643 39.016 38.487 -0.190 0.000 1.080 42 N HN 0.241 nan 8.380 nan 0.000 0.477 43 P HA -0.001 nan 4.420 nan 0.000 0.236 43 P C 0.516 177.545 177.300 -0.452 0.000 1.177 43 P CA 0.544 63.204 63.100 -0.733 0.000 0.773 43 P CB 0.469 32.086 31.700 -0.138 0.000 0.878 44 N N -0.302 118.228 118.700 -0.283 0.000 2.443 44 N HA -0.030 4.710 4.740 0.000 0.000 0.184 44 N C 1.444 176.855 175.510 -0.165 0.000 1.037 44 N CA 0.942 53.898 53.050 -0.156 0.000 0.896 44 N CB -0.155 38.267 38.487 -0.108 0.000 0.959 44 N HN 0.153 nan 8.380 nan 0.000 0.442 45 M N 0.004 119.423 119.600 -0.303 0.000 2.506 45 M HA 0.073 4.553 4.480 0.000 0.000 0.260 45 M C -0.141 176.128 176.300 -0.053 0.000 1.104 45 M CA 0.194 55.376 55.300 -0.197 0.000 1.112 45 M CB -0.660 31.814 32.600 -0.209 0.000 1.401 45 M HN -0.158 nan 8.290 nan 0.000 0.473 46 F N 2.252 122.192 119.950 -0.017 0.000 2.529 46 F HA 0.151 4.679 4.527 0.000 0.000 0.365 46 F C -1.000 174.751 175.800 -0.080 0.000 1.102 46 F CA -2.301 55.684 58.000 -0.025 0.000 1.271 46 F CB -0.669 38.365 39.000 0.058 0.000 1.120 46 F HN 0.056 nan 8.300 nan 0.000 0.579 47 P HA -0.088 nan 4.420 nan 0.000 0.222 47 P C -0.057 177.116 177.300 -0.213 0.000 1.153 47 P CA 0.853 63.819 63.100 -0.223 0.000 0.798 47 P CB 0.096 31.533 31.700 -0.438 0.000 0.796 48 F N 0.816 120.824 119.950 0.097 0.000 2.467 48 F HA 0.219 4.746 4.527 0.000 0.000 0.362 48 F C 1.772 177.645 175.800 0.121 0.000 1.090 48 F CA -0.030 58.025 58.000 0.092 0.000 1.202 48 F CB 0.468 39.520 39.000 0.086 0.000 1.113 48 F HN -0.296 nan 8.300 nan 0.000 0.541 49 K N 0.539 121.099 120.400 0.267 0.000 2.367 49 K HA 0.170 4.490 4.320 0.000 0.000 0.198 49 K C 0.582 177.287 176.600 0.176 0.000 1.132 49 K CA 0.718 57.115 56.287 0.184 0.000 0.941 49 K CB 0.353 32.920 32.500 0.111 0.000 1.052 49 K HN 0.744 nan 8.250 nan 0.000 0.507 50 T N -1.896 112.763 114.554 0.175 0.000 2.816 50 T HA 0.820 5.170 4.350 0.000 0.000 0.299 50 T C -1.433 173.354 174.700 0.146 0.000 1.230 50 T CA -0.845 61.345 62.100 0.151 0.000 1.007 50 T CB 2.367 71.289 68.868 0.090 0.000 1.289 50 T HN 0.084 nan 8.240 nan 0.000 0.508 51 A N 0.501 123.372 122.820 0.085 0.000 2.547 51 A HA 0.752 5.072 4.320 0.000 0.000 0.297 51 A C -1.496 175.989 177.584 -0.165 0.000 1.056 51 A CA -0.755 51.270 52.037 -0.019 0.000 0.688 51 A CB 1.868 20.869 19.000 0.002 0.000 1.282 51 A HN 1.149 nan 8.150 nan 0.000 0.400 52 V N 3.335 123.156 119.914 -0.155 0.000 2.577 52 V HA 0.516 4.636 4.120 0.000 0.000 0.303 52 V C -0.991 174.989 176.094 -0.189 0.000 1.042 52 V CA -0.409 61.782 62.300 -0.181 0.000 0.872 52 V CB 1.618 33.382 31.823 -0.099 0.000 0.998 52 V HN 0.721 nan 8.190 nan 0.000 0.423 53 I N 3.999 124.421 120.570 -0.248 0.000 2.447 53 I HA 0.391 4.561 4.170 0.000 0.000 0.287 53 I C 0.521 176.533 176.117 -0.175 0.000 1.023 53 I CA -0.241 60.934 61.300 -0.209 0.000 1.083 53 I CB 2.188 40.022 38.000 -0.276 0.000 1.245 53 I HN 0.717 nan 8.210 nan 0.000 0.434 54 T N 3.261 117.740 114.554 -0.125 0.000 2.904 54 T HA 0.649 5.000 4.350 0.000 0.000 0.290 54 T C -0.091 174.543 174.700 -0.109 0.000 1.018 54 T CA -0.588 61.450 62.100 -0.103 0.000 1.075 54 T CB 1.959 70.786 68.868 -0.069 0.000 0.986 54 T HN 0.256 nan 8.240 nan 0.000 0.523 55 V N 2.139 121.995 119.914 -0.097 0.000 2.487 55 V HA 0.348 4.468 4.120 0.000 0.000 0.298 55 V C 0.293 176.375 176.094 -0.021 0.000 1.028 55 V CA -1.019 61.226 62.300 -0.091 0.000 0.860 55 V CB 1.475 33.205 31.823 -0.155 0.000 0.991 55 V HN 1.080 nan 8.190 nan 0.000 0.427 56 E N 5.128 125.335 120.200 0.012 0.000 2.493 56 E HA -0.012 4.338 4.350 0.000 0.000 0.255 56 E C 0.356 176.998 176.600 0.070 0.000 0.999 56 E CA 0.172 56.595 56.400 0.038 0.000 0.934 56 E CB 0.072 29.803 29.700 0.051 0.000 0.940 56 E HN 0.674 nan 8.360 nan 0.000 0.473 57 N N 2.527 121.256 118.700 0.048 0.000 2.716 57 N HA -0.196 4.545 4.740 0.000 0.000 0.250 57 N C -0.421 175.141 175.510 0.086 0.000 1.033 57 N CA 1.267 54.350 53.050 0.056 0.000 0.727 57 N CB -1.184 37.336 38.487 0.055 0.000 0.950 57 N HN 0.588 nan 8.380 nan 0.000 0.541 58 G N -1.017 107.823 108.800 0.067 0.000 2.866 58 G HA2 0.511 4.471 3.960 0.000 0.000 0.289 58 G HA3 0.511 4.471 3.960 0.000 0.000 0.289 58 G C -0.847 174.061 174.900 0.012 0.000 1.396 58 G CA -0.729 44.418 45.100 0.078 0.000 0.848 58 G HN -0.022 nan 8.290 nan 0.000 0.515 59 K N 1.274 121.668 120.400 -0.011 0.000 2.339 59 K HA 0.264 4.584 4.320 0.000 0.000 0.286 59 K C 0.644 177.193 176.600 -0.086 0.000 1.050 59 K CA -0.167 56.096 56.287 -0.040 0.000 0.956 59 K CB 1.316 33.794 32.500 -0.037 0.000 0.990 59 K HN 0.642 nan 8.250 nan 0.000 0.475 60 T N 1.582 116.089 114.554 -0.078 0.000 2.932 60 T HA 0.187 4.537 4.350 0.000 0.000 0.312 60 T C 0.476 175.091 174.700 -0.142 0.000 1.071 60 T CA -0.398 61.635 62.100 -0.111 0.000 1.128 60 T CB 0.117 68.928 68.868 -0.095 0.000 0.984 60 T HN 0.366 nan 8.240 nan 0.000 0.549 61 I N 3.800 124.248 120.570 -0.205 0.000 2.325 61 I HA 0.276 4.446 4.170 0.000 0.000 0.291 61 I C 0.299 176.227 176.117 -0.315 0.000 1.019 61 I CA -0.462 60.681 61.300 -0.262 0.000 1.302 61 I CB 1.136 38.920 38.000 -0.360 0.000 1.401 61 I HN 0.686 nan 8.210 nan 0.000 0.485 62 Q N 6.393 126.068 119.800 -0.207 0.000 2.330 62 Q HA 0.510 4.850 4.340 0.000 0.000 0.269 62 Q C -1.499 174.525 176.000 0.039 0.000 1.022 62 Q CA -0.663 55.051 55.803 -0.148 0.000 0.796 62 Q CB 2.312 31.015 28.738 -0.059 0.000 1.271 62 Q HN 0.371 nan 8.270 nan 0.000 0.450 63 F N 1.488 121.367 119.950 -0.119 0.000 2.332 63 F HA 0.465 4.993 4.527 0.001 0.000 0.368 63 F C 0.961 176.727 175.800 -0.057 0.000 1.110 63 F CA -1.208 56.722 58.000 -0.118 0.000 1.087 63 F CB 0.691 39.587 39.000 -0.174 0.000 1.235 63 F HN 0.648 nan 8.300 nan 0.000 0.470 64 G N 2.359 111.238 108.800 0.132 0.000 2.570 64 G HA2 0.099 4.059 3.960 0.000 0.000 0.276 64 G HA3 0.099 4.059 3.960 0.000 0.000 0.276 64 G C 0.899 175.842 174.900 0.071 0.000 1.346 64 G CA -0.300 44.844 45.100 0.074 0.000 1.034 64 G HN 0.614 nan 8.290 nan 0.000 0.512 65 E N -0.408 119.821 120.200 0.048 0.000 2.038 65 E HA -0.141 4.210 4.350 0.000 0.000 0.195 65 E C 2.346 178.965 176.600 0.032 0.000 1.000 65 E CA 1.213 57.642 56.400 0.048 0.000 0.803 65 E CB 0.035 29.755 29.700 0.034 0.000 0.750 65 E HN 0.407 nan 8.360 nan 0.000 0.448 66 E N 0.319 120.524 120.200 0.007 0.000 2.106 66 E HA -0.165 4.185 4.350 0.000 0.000 0.192 66 E C 1.948 178.521 176.600 -0.045 0.000 0.984 66 E CA 0.778 57.170 56.400 -0.014 0.000 0.806 66 E CB -0.199 29.487 29.700 -0.023 0.000 0.750 66 E HN 0.190 nan 8.360 nan 0.000 0.458 67 M N 0.086 119.647 119.600 -0.064 0.000 2.175 67 M HA -0.082 4.398 4.480 0.000 0.000 0.264 67 M C 2.185 178.343 176.300 -0.237 0.000 1.063 67 M CA 1.196 56.391 55.300 -0.175 0.000 1.119 67 M CB -0.198 32.295 32.600 -0.178 0.000 1.377 67 M HN 0.076 nan 8.290 nan 0.000 0.415 68 M N 0.333 119.899 119.600 -0.056 0.000 2.080 68 M HA -0.192 4.288 4.480 0.000 0.000 0.260 68 M C 1.759 178.102 176.300 0.073 0.000 1.068 68 M CA 1.984 57.314 55.300 0.051 0.000 1.109 68 M CB -0.363 32.355 32.600 0.197 0.000 1.342 68 M HN 0.237 nan 8.290 nan 0.000 0.405 69 K N -0.807 119.635 120.400 0.070 0.000 2.063 69 K HA -0.228 4.092 4.320 0.000 0.000 0.208 69 K C 2.261 178.896 176.600 0.057 0.000 1.048 69 K CA 1.779 58.124 56.287 0.097 0.000 0.928 69 K CB -0.446 32.084 32.500 0.049 0.000 0.713 69 K HN 0.417 nan 8.250 nan 0.000 0.442 70 R N 0.920 121.397 120.500 -0.038 0.000 2.081 70 R HA -0.114 4.226 4.340 0.000 0.000 0.235 70 R C 2.251 178.491 176.300 -0.099 0.000 1.131 70 R CA 1.383 57.435 56.100 -0.079 0.000 0.960 70 R CB -0.233 29.979 30.300 -0.147 0.000 0.856 70 R HN 0.205 nan 8.270 nan 0.000 0.436 71 A N 0.765 123.477 122.820 -0.181 0.000 1.972 71 A HA -0.085 4.235 4.320 0.000 0.000 0.219 71 A C 1.947 179.580 177.584 0.081 0.000 1.169 71 A CA 1.066 53.006 52.037 -0.161 0.000 0.635 71 A CB -0.258 18.529 19.000 -0.355 0.000 0.810 71 A HN 0.369 nan 8.150 nan 0.000 0.446 72 L N -1.139 120.154 121.223 0.118 0.000 2.607 72 L HA 0.148 4.489 4.340 0.000 0.000 0.228 72 L C 0.750 177.648 176.870 0.047 0.000 1.123 72 L CA -0.175 54.721 54.840 0.094 0.000 0.890 72 L CB 0.050 42.220 42.059 0.185 0.000 1.103 72 L HN 0.369 nan 8.230 nan 0.000 0.468 73 Q N -0.582 119.270 119.800 0.086 0.000 2.301 73 Q HA 0.285 4.626 4.340 0.000 0.000 0.267 73 Q C -0.873 175.145 176.000 0.030 0.000 1.035 73 Q CA -0.718 55.134 55.803 0.082 0.000 0.856 73 Q CB 0.936 29.746 28.738 0.120 0.000 1.337 73 Q HN -0.008 nan 8.270 nan 0.000 0.450 74 Y N 0.740 121.116 120.300 0.127 0.000 2.986 74 Y HA 0.129 4.679 4.550 0.001 0.000 0.342 74 Y C 0.839 176.605 175.900 -0.224 0.000 1.275 74 Y CA 1.247 59.380 58.100 0.055 0.000 1.527 74 Y CB 0.218 38.749 38.460 0.120 0.000 1.296 74 Y HN 0.674 nan 8.280 nan 0.000 0.628 75 S N 1.110 116.519 115.700 -0.485 0.000 2.705 75 S HA 0.729 5.199 4.470 0.000 0.000 0.280 75 S C -3.159 171.251 174.600 -0.317 0.000 1.174 75 S CA -1.924 56.050 58.200 -0.377 0.000 0.823 75 S CB 1.771 64.762 63.200 -0.348 0.000 1.162 75 S HN 0.228 nan 8.310 nan 0.000 0.487 76 P HA 0.360 nan 4.420 nan 0.000 0.268 76 P C 0.447 177.757 177.300 0.016 0.000 1.205 76 P CA -0.153 62.919 63.100 -0.046 0.000 0.771 76 P CB 0.505 32.189 31.700 -0.027 0.000 0.858 77 S N 2.439 118.177 115.700 0.064 0.000 2.374 77 S HA -0.223 4.247 4.470 0.000 0.000 0.227 77 S C 1.864 176.518 174.600 0.090 0.000 1.037 77 S CA 1.792 60.058 58.200 0.110 0.000 1.024 77 S CB -0.798 62.449 63.200 0.078 0.000 0.861 77 S HN 0.646 nan 8.310 nan 0.000 0.456 78 A N 0.543 123.397 122.820 0.056 0.000 2.168 78 A HA 0.469 4.790 4.320 0.000 0.000 0.215 78 A C 1.098 178.717 177.584 0.058 0.000 1.152 78 A CA 0.950 53.017 52.037 0.050 0.000 0.716 78 A CB -0.672 18.347 19.000 0.032 0.000 0.794 78 A HN 0.908 nan 8.150 nan 0.000 0.465 79 G N -1.079 107.755 108.800 0.057 0.000 2.406 79 G HA2 0.194 4.154 3.960 0.000 0.000 0.680 79 G HA3 0.194 4.154 3.960 0.000 0.000 0.680 79 G C -0.270 174.639 174.900 0.015 0.000 1.338 79 G CA -0.539 44.591 45.100 0.050 0.000 0.941 79 G HN 1.200 nan 8.290 nan 0.000 0.633 80 I N -0.462 120.110 120.570 0.003 0.000 2.634 80 I HA 0.473 4.643 4.170 0.000 0.000 0.284 80 I C -0.759 175.355 176.117 -0.005 0.000 1.124 80 I CA -1.745 59.541 61.300 -0.023 0.000 1.417 80 I CB 1.296 39.267 38.000 -0.049 0.000 1.396 80 I HN 0.333 nan 8.210 nan 0.000 0.571 81 P HA -0.204 nan 4.420 nan 0.000 0.218 81 P C 1.068 178.387 177.300 0.032 0.000 1.149 81 P CA 1.481 64.584 63.100 0.006 0.000 0.817 81 P CB -0.112 31.585 31.700 -0.006 0.000 0.785 82 E N 0.050 120.264 120.200 0.023 0.000 2.152 82 E HA -0.126 4.225 4.350 0.000 0.000 0.192 82 E C 2.077 178.800 176.600 0.205 0.000 0.983 82 E CA 0.695 57.145 56.400 0.083 0.000 0.818 82 E CB -1.238 28.432 29.700 -0.050 0.000 0.758 82 E HN 0.168 nan 8.360 nan 0.000 0.467 83 L N 1.085 122.375 121.223 0.113 0.000 2.056 83 L HA -0.023 4.318 4.340 0.000 0.000 0.207 83 L C 2.444 179.379 176.870 0.109 0.000 1.078 83 L CA 1.266 56.173 54.840 0.112 0.000 0.749 83 L CB -0.477 41.606 42.059 0.040 0.000 0.901 83 L HN 0.074 nan 8.230 nan 0.000 0.433 84 L N -0.864 120.399 121.223 0.068 0.000 2.046 84 L HA -0.198 4.142 4.340 0.000 0.000 0.208 84 L C 2.627 179.523 176.870 0.043 0.000 1.077 84 L CA 1.461 56.323 54.840 0.037 0.000 0.747 84 L CB -0.726 41.349 42.059 0.028 0.000 0.896 84 L HN 0.459 nan 8.230 nan 0.000 0.432 85 S N -1.397 114.349 115.700 0.076 0.000 2.368 85 S HA -0.242 4.228 4.470 0.000 0.000 0.224 85 S C 1.657 176.289 174.600 0.055 0.000 1.029 85 S CA 0.690 58.924 58.200 0.057 0.000 0.988 85 S CB -0.930 62.315 63.200 0.075 0.000 0.838 85 S HN 0.517 nan 8.310 nan 0.000 0.462 86 W N 2.298 123.559 121.300 -0.066 0.000 2.335 86 W HA 0.040 4.700 4.660 0.000 0.000 0.311 86 W C 1.980 178.386 176.519 -0.188 0.000 1.213 86 W CA 1.295 58.541 57.345 -0.166 0.000 1.274 86 W CB -0.377 28.923 29.460 -0.267 0.000 1.148 86 W HN 0.223 nan 8.180 nan 0.000 0.498 87 L N 0.244 121.539 121.223 0.121 0.000 2.141 87 L HA -0.213 4.128 4.340 0.000 0.000 0.209 87 L C 2.494 179.272 176.870 -0.153 0.000 1.094 87 L CA 1.297 56.075 54.840 -0.103 0.000 0.763 87 L CB -0.864 40.975 42.059 -0.367 0.000 0.908 87 L HN -0.085 nan 8.230 nan 0.000 0.437 88 K N -0.343 119.993 120.400 -0.107 0.000 2.057 88 K HA -0.227 4.093 4.320 0.000 0.000 0.207 88 K C 2.212 178.721 176.600 -0.153 0.000 1.049 88 K CA 1.257 57.486 56.287 -0.097 0.000 0.931 88 K CB -0.101 32.359 32.500 -0.067 0.000 0.714 88 K HN 0.110 nan 8.250 nan 0.000 0.440 89 Q N 1.378 121.039 119.800 -0.231 0.000 2.084 89 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 89 Q C 1.972 177.744 176.000 -0.380 0.000 0.978 89 Q CA 1.153 56.772 55.803 -0.306 0.000 0.844 89 Q CB -0.427 28.083 28.738 -0.379 0.000 0.898 89 Q HN 0.201 nan 8.270 nan 0.000 0.426 90 L N 0.389 121.301 121.223 -0.519 0.000 2.013 90 L HA -0.256 4.084 4.340 0.000 0.000 0.212 90 L C 2.083 178.835 176.870 -0.198 0.000 1.073 90 L CA 1.957 56.539 54.840 -0.429 0.000 0.753 90 L CB -0.572 41.247 42.059 -0.400 0.000 0.890 90 L HN 0.231 nan 8.230 nan 0.000 0.432 91 Q N -0.413 119.330 119.800 -0.095 0.000 2.084 91 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 91 Q C 2.414 178.381 176.000 -0.056 0.000 0.978 91 Q CA 2.115 57.934 55.803 0.026 0.000 0.844 91 Q CB -0.422 28.374 28.738 0.097 0.000 0.898 91 Q HN 0.619 nan 8.270 nan 0.000 0.426 92 I N 0.890 121.397 120.570 -0.105 0.000 2.163 92 I HA -0.308 3.862 4.170 0.000 0.000 0.243 92 I C 2.342 178.383 176.117 -0.126 0.000 1.085 92 I CA 1.342 62.575 61.300 -0.112 0.000 1.347 92 I CB -0.195 37.731 38.000 -0.124 0.000 1.044 92 I HN 0.176 nan 8.210 nan 0.000 0.408 93 K N 0.451 120.754 120.400 -0.162 0.000 2.057 93 K HA -0.109 4.212 4.320 0.000 0.000 0.206 93 K C 2.073 178.574 176.600 -0.166 0.000 1.050 93 K CA 1.238 57.434 56.287 -0.152 0.000 0.935 93 K CB -0.129 32.266 32.500 -0.175 0.000 0.715 93 K HN 0.332 nan 8.250 nan 0.000 0.439 94 L N -0.669 120.392 121.223 -0.269 0.000 2.131 94 L HA -0.105 4.236 4.340 0.000 0.000 0.206 94 L C 1.434 178.005 176.870 -0.500 0.000 1.087 94 L CA 1.334 55.918 54.840 -0.426 0.000 0.767 94 L CB -0.220 41.430 42.059 -0.681 0.000 0.917 94 L HN 0.302 nan 8.230 nan 0.000 0.441 95 H N -3.249 115.783 119.070 -0.064 0.000 3.241 95 H HA 0.138 4.694 4.556 0.000 0.000 0.260 95 H C 0.253 175.527 175.328 -0.090 0.000 1.084 95 H CA -0.433 55.558 56.048 -0.095 0.000 1.203 95 H CB 0.417 30.097 29.762 -0.136 0.000 1.524 95 H HN 0.040 nan 8.280 nan 0.000 0.521 96 N N 2.224 120.913 118.700 -0.017 0.000 2.725 96 N HA -0.109 4.631 4.740 0.000 0.000 0.280 96 N C -2.795 172.685 175.510 -0.051 0.000 1.017 96 N CA -0.061 52.964 53.050 -0.041 0.000 0.813 96 N CB -0.367 38.102 38.487 -0.030 0.000 0.931 96 N HN 0.250 nan 8.380 nan 0.000 0.570 97 P HA 0.132 nan 4.420 nan 0.000 0.271 97 P C -1.784 175.413 177.300 -0.172 0.000 1.216 97 P CA -1.190 61.843 63.100 -0.111 0.000 0.771 97 P CB 0.513 32.142 31.700 -0.118 0.000 0.864 98 P HA -0.127 nan 4.420 nan 0.000 0.221 98 P C 1.226 178.212 177.300 -0.524 0.000 1.145 98 P CA 1.523 64.506 63.100 -0.195 0.000 0.795 98 P CB -0.093 31.540 31.700 -0.111 0.000 0.775 99 T N -0.816 113.367 114.554 -0.619 0.000 3.100 99 T HA 0.041 4.391 4.350 0.000 0.000 0.253 99 T C 1.453 175.830 174.700 -0.539 0.000 1.118 99 T CA 0.044 61.593 62.100 -0.919 0.000 1.058 99 T CB -0.726 67.877 68.868 -0.441 0.000 0.953 99 T HN 0.173 nan 8.240 nan 0.000 0.515 100 I N -1.407 118.906 120.570 -0.427 0.000 2.454 100 I HA -0.116 4.055 4.170 0.000 0.000 0.254 100 I C 1.548 177.452 176.117 -0.356 0.000 1.156 100 I CA 1.666 62.734 61.300 -0.386 0.000 1.433 100 I CB -0.572 37.161 38.000 -0.444 0.000 1.082 100 I HN 0.282 nan 8.210 nan 0.000 0.432 101 H N -0.856 118.181 119.070 -0.055 0.000 2.551 101 H HA 0.300 4.856 4.556 0.000 0.000 0.271 101 H C -0.072 175.409 175.328 0.255 0.000 0.984 101 H CA -0.272 55.827 56.048 0.085 0.000 1.164 101 H CB -0.010 29.810 29.762 0.096 0.000 1.437 101 H HN 0.343 nan 8.280 nan 0.000 0.550 102 Y N 1.267 121.620 120.300 0.089 0.000 2.314 102 Y HA 0.148 4.698 4.550 0.000 0.000 0.334 102 Y C -1.861 174.074 175.900 0.059 0.000 1.266 102 Y CA -2.859 55.285 58.100 0.075 0.000 1.391 102 Y CB 0.365 38.866 38.460 0.069 0.000 1.306 102 Y HN 0.014 nan 8.280 nan 0.000 0.558 103 P HA 0.034 nan 4.420 nan 0.000 0.270 103 P C -2.161 175.220 177.300 0.134 0.000 1.223 103 P CA -1.073 62.102 63.100 0.125 0.000 0.785 103 P CB 0.259 32.008 31.700 0.081 0.000 0.923 104 P HA -0.272 nan 4.420 nan 0.000 0.215 104 P C 1.594 178.963 177.300 0.114 0.000 1.163 104 P CA 2.329 65.478 63.100 0.082 0.000 0.894 104 P CB -0.372 31.361 31.700 0.056 0.000 0.791 105 S N -1.608 114.163 115.700 0.118 0.000 2.419 105 S HA -0.167 4.303 4.470 0.000 0.000 0.233 105 S C 1.686 176.422 174.600 0.226 0.000 1.016 105 S CA 0.961 59.255 58.200 0.156 0.000 0.974 105 S CB -0.992 62.272 63.200 0.106 0.000 0.786 105 S HN 0.097 nan 8.310 nan 0.000 0.492 106 Q N 0.873 120.788 119.800 0.193 0.000 2.320 106 Q HA 0.315 4.655 4.340 0.000 0.000 0.201 106 Q C 1.148 177.368 176.000 0.366 0.000 0.910 106 Q CA 0.619 56.544 55.803 0.204 0.000 0.946 106 Q CB 0.146 28.920 28.738 0.059 0.000 1.062 106 Q HN 0.831 nan 8.270 nan 0.000 0.503 107 G N 1.349 110.359 108.800 0.351 0.000 2.173 107 G HA2 -0.252 3.708 3.960 0.000 0.000 0.174 107 G HA3 -0.252 3.708 3.960 0.000 0.000 0.174 107 G C -0.084 174.908 174.900 0.154 0.000 1.025 107 G CA 0.013 45.277 45.100 0.274 0.000 0.706 107 G HN 0.344 nan 8.290 nan 0.000 0.499 108 Q N -0.126 119.758 119.800 0.141 0.000 2.368 108 Q HA 0.203 4.543 4.340 0.000 0.000 0.331 108 Q C 1.195 177.175 176.000 -0.032 0.000 1.086 108 Q CA 0.091 55.925 55.803 0.052 0.000 1.031 108 Q CB 0.281 29.052 28.738 0.056 0.000 1.125 108 Q HN 0.542 nan 8.270 nan 0.000 0.389 109 M N 3.747 123.293 119.600 -0.089 0.000 2.290 109 M HA -0.090 4.390 4.480 0.000 0.000 0.356 109 M C -0.758 175.502 176.300 -0.067 0.000 1.448 109 M CA 1.025 56.268 55.300 -0.094 0.000 0.993 109 M CB 0.189 32.715 32.600 -0.123 0.000 1.934 109 M HN 0.695 nan 8.290 nan 0.000 0.461 110 D N 3.929 124.294 120.400 -0.059 0.000 2.579 110 D HA 0.707 5.347 4.640 0.000 0.000 0.257 110 D C -1.940 174.347 176.300 -0.023 0.000 1.176 110 D CA -0.424 53.553 54.000 -0.039 0.000 0.914 110 D CB 1.873 42.649 40.800 -0.040 0.000 1.431 110 D HN 0.642 nan 8.370 nan 0.000 0.454 111 L N 0.638 121.861 121.223 0.001 0.000 2.424 111 L HA 0.733 5.074 4.340 0.000 0.000 0.258 111 L C -1.348 175.547 176.870 0.042 0.000 0.995 111 L CA -0.437 54.428 54.840 0.041 0.000 0.821 111 L CB 1.694 43.787 42.059 0.056 0.000 1.383 111 L HN 0.826 nan 8.230 nan 0.000 0.410 112 C N 1.096 120.438 119.300 0.071 0.000 2.985 112 C HA 0.754 5.214 4.460 0.000 0.000 0.314 112 C C -0.493 174.568 174.990 0.119 0.000 1.215 112 C CA -0.985 58.075 59.018 0.070 0.000 1.414 112 C CB 0.636 28.400 27.740 0.040 0.000 1.842 112 C HN 0.491 nan 8.230 nan 0.000 0.477 113 V N 3.283 123.267 119.914 0.116 0.000 2.583 113 V HA 0.640 4.761 4.120 0.000 0.000 0.287 113 V C 0.972 177.135 176.094 0.116 0.000 1.051 113 V CA 0.682 63.074 62.300 0.154 0.000 1.010 113 V CB 1.427 33.330 31.823 0.134 0.000 0.988 113 V HN 1.173 nan 8.190 nan 0.000 0.478 114 T N 0.592 115.214 114.554 0.114 0.000 2.916 114 T HA 0.395 4.746 4.350 0.000 0.000 0.292 114 T C -0.043 174.701 174.700 0.072 0.000 1.064 114 T CA -0.736 61.401 62.100 0.061 0.000 1.011 114 T CB 1.641 70.516 68.868 0.011 0.000 1.152 114 T HN 0.377 nan 8.240 nan 0.000 0.510 115 S N 1.567 117.292 115.700 0.042 0.000 4.139 115 S HA 0.560 5.031 4.470 0.000 0.000 0.215 115 S C 0.900 175.524 174.600 0.039 0.000 1.390 115 S CA 0.169 58.395 58.200 0.044 0.000 0.885 115 S CB -1.145 62.066 63.200 0.018 0.000 1.560 115 S HN 1.453 nan 8.310 nan 0.000 0.449 116 G N 1.837 110.673 108.800 0.060 0.000 2.733 116 G HA2 -0.219 3.741 3.960 0.000 0.000 0.686 116 G HA3 -0.219 3.741 3.960 0.000 0.000 0.686 116 G C 0.718 175.616 174.900 -0.003 0.000 1.373 116 G CA -0.309 44.818 45.100 0.044 0.000 0.838 116 G HN 0.813 nan 8.290 nan 0.000 0.588 117 S N -0.350 115.324 115.700 -0.043 0.000 2.423 117 S HA -0.142 4.328 4.470 0.000 0.000 0.231 117 S C 2.097 176.648 174.600 -0.082 0.000 1.014 117 S CA 1.936 60.072 58.200 -0.106 0.000 0.965 117 S CB -0.091 63.002 63.200 -0.178 0.000 0.785 117 S HN 1.195 nan 8.310 nan 0.000 0.495 118 Q N 1.500 121.286 119.800 -0.024 0.000 2.135 118 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 118 Q C 2.281 178.257 176.000 -0.040 0.000 0.981 118 Q CA 2.095 57.906 55.803 0.014 0.000 0.856 118 Q CB -0.567 28.220 28.738 0.080 0.000 0.902 118 Q HN 0.820 nan 8.270 nan 0.000 0.425 119 Q N -1.204 118.569 119.800 -0.045 0.000 2.046 119 Q HA -0.131 4.210 4.340 0.000 0.000 0.200 119 Q C 1.898 177.829 176.000 -0.116 0.000 0.975 119 Q CA 1.469 57.230 55.803 -0.069 0.000 0.836 119 Q CB -0.533 28.173 28.738 -0.053 0.000 0.896 119 Q HN 0.553 nan 8.270 nan 0.000 0.428 120 G N 1.441 110.169 108.800 -0.120 0.000 2.553 120 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 120 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 120 G C 1.425 176.170 174.900 -0.258 0.000 1.195 120 G CA 1.127 46.131 45.100 -0.160 0.000 0.779 120 G HN 0.336 nan 8.290 nan 0.000 0.577 121 L N -0.258 120.776 121.223 -0.316 0.000 2.012 121 L HA -0.161 4.179 4.340 0.000 0.000 0.210 121 L C 3.066 179.467 176.870 -0.782 0.000 1.073 121 L CA 1.294 55.761 54.840 -0.622 0.000 0.748 121 L CB -0.679 41.099 42.059 -0.467 0.000 0.891 121 L HN 0.446 nan 8.230 nan 0.000 0.431 122 C N 0.412 119.508 119.300 -0.340 0.000 2.432 122 C HA -0.174 4.286 4.460 0.000 0.000 0.277 122 C C 2.863 177.793 174.990 -0.101 0.000 1.249 122 C CA 1.057 60.000 59.018 -0.124 0.000 1.725 122 C CB -0.561 27.160 27.740 -0.032 0.000 2.028 122 C HN 0.399 nan 8.230 nan 0.000 0.477 123 K N -0.040 120.276 120.400 -0.141 0.000 2.097 123 K HA -0.095 4.226 4.320 0.000 0.000 0.206 123 K C 1.890 178.468 176.600 -0.036 0.000 1.049 123 K CA 1.544 57.792 56.287 -0.065 0.000 0.933 123 K CB -0.161 32.276 32.500 -0.105 0.000 0.717 123 K HN 0.455 nan 8.250 nan 0.000 0.442 124 V N 0.852 120.654 119.914 -0.187 0.000 2.307 124 V HA -0.233 3.887 4.120 0.000 0.000 0.245 124 V C 1.906 177.966 176.094 -0.056 0.000 1.045 124 V CA 1.737 63.920 62.300 -0.195 0.000 1.024 124 V CB -0.526 31.078 31.823 -0.366 0.000 0.651 124 V HN 0.259 nan 8.190 nan 0.000 0.449 125 F N 0.345 120.261 119.950 -0.058 0.000 2.126 125 F HA -0.223 4.304 4.527 0.000 0.000 0.299 125 F C 2.575 178.424 175.800 0.081 0.000 1.096 125 F CA 1.624 59.637 58.000 0.021 0.000 1.255 125 F CB -0.273 38.738 39.000 0.018 0.000 0.997 125 F HN 0.193 nan 8.300 nan 0.000 0.479 126 E N 0.212 120.564 120.200 0.253 0.000 2.106 126 E HA -0.258 4.093 4.350 0.000 0.000 0.192 126 E C 2.116 178.809 176.600 0.155 0.000 0.984 126 E CA 1.189 57.704 56.400 0.192 0.000 0.806 126 E CB -0.213 29.613 29.700 0.212 0.000 0.750 126 E HN 0.418 nan 8.360 nan 0.000 0.458 127 M N 0.367 120.053 119.600 0.144 0.000 2.149 127 M HA -0.187 4.293 4.480 0.000 0.000 0.261 127 M C 1.713 178.098 176.300 0.142 0.000 1.064 127 M CA 1.664 57.032 55.300 0.113 0.000 1.102 127 M CB 0.104 32.755 32.600 0.085 0.000 1.369 127 M HN 0.089 nan 8.290 nan 0.000 0.408 128 I N -0.700 119.989 120.570 0.198 0.000 2.927 128 I HA 0.077 4.247 4.170 0.000 0.000 0.268 128 I C 0.437 176.687 176.117 0.222 0.000 1.153 128 I CA 0.025 61.479 61.300 0.256 0.000 1.459 128 I CB 0.384 38.608 38.000 0.373 0.000 1.149 128 I HN 0.085 nan 8.210 nan 0.000 0.443 129 I N 2.472 123.167 120.570 0.208 0.000 2.325 129 I HA 0.103 4.273 4.170 0.000 0.000 0.291 129 I C -0.331 175.829 176.117 0.071 0.000 1.019 129 I CA -0.180 61.201 61.300 0.135 0.000 1.302 129 I CB 0.314 38.392 38.000 0.129 0.000 1.401 129 I HN 0.167 nan 8.210 nan 0.000 0.485 130 N N 7.805 126.529 118.700 0.039 0.000 2.492 130 N HA 0.375 5.115 4.740 0.000 0.000 0.289 130 N C -2.509 172.997 175.510 -0.007 0.000 1.133 130 N CA -1.619 51.440 53.050 0.014 0.000 0.961 130 N CB 0.895 39.388 38.487 0.009 0.000 1.186 130 N HN 0.182 nan 8.380 nan 0.000 0.493 131 P HA 0.023 nan 4.420 nan 0.000 0.260 131 P C 0.826 178.112 177.300 -0.024 0.000 1.172 131 P CA 0.934 64.019 63.100 -0.024 0.000 0.760 131 P CB 0.162 31.849 31.700 -0.022 0.000 0.773 132 G N 2.154 110.936 108.800 -0.030 0.000 2.213 132 G HA2 -0.197 3.763 3.960 0.000 0.000 0.236 132 G HA3 -0.197 3.763 3.960 0.000 0.000 0.236 132 G C 0.057 174.937 174.900 -0.033 0.000 0.991 132 G CA -0.304 44.782 45.100 -0.023 0.000 0.629 132 G HN 0.486 nan 8.290 nan 0.000 0.517 133 D N 1.251 121.620 120.400 -0.052 0.000 2.423 133 D HA 0.331 4.971 4.640 0.000 0.000 0.238 133 D C 0.468 176.693 176.300 -0.126 0.000 1.142 133 D CA 0.116 54.065 54.000 -0.085 0.000 0.884 133 D CB 0.361 41.112 40.800 -0.081 0.000 1.199 133 D HN 0.219 nan 8.370 nan 0.000 0.438 134 N N 0.424 119.021 118.700 -0.173 0.000 2.438 134 N HA 0.364 5.104 4.740 0.000 0.000 0.282 134 N C -0.677 174.604 175.510 -0.383 0.000 1.037 134 N CA -0.427 52.500 53.050 -0.205 0.000 0.942 134 N CB 1.759 40.145 38.487 -0.168 0.000 1.136 134 N HN 0.186 nan 8.380 nan 0.000 0.481 135 V N 0.120 119.790 119.914 -0.406 0.000 2.789 135 V HA 0.645 4.765 4.120 0.000 0.000 0.311 135 V C -0.605 175.245 176.094 -0.407 0.000 1.073 135 V CA -0.981 60.934 62.300 -0.641 0.000 0.921 135 V CB 1.708 32.927 31.823 -1.007 0.000 1.009 135 V HN 0.368 nan 8.190 nan 0.000 0.426 136 L N 5.212 126.198 121.223 -0.396 0.000 2.325 136 L HA 0.904 5.245 4.340 0.000 0.000 0.278 136 L C -0.554 176.281 176.870 -0.059 0.000 1.023 136 L CA -0.637 54.075 54.840 -0.214 0.000 0.811 136 L CB 1.555 43.431 42.059 -0.304 0.000 1.249 136 L HN 0.835 nan 8.230 nan 0.000 0.431 137 L N -0.427 120.799 121.223 0.005 0.000 2.720 137 L HA 0.605 4.945 4.340 0.000 0.000 0.261 137 L C -1.598 175.312 176.870 0.066 0.000 1.046 137 L CA -0.900 54.003 54.840 0.107 0.000 0.886 137 L CB 1.529 43.715 42.059 0.212 0.000 1.493 137 L HN 0.489 nan 8.230 nan 0.000 0.407 138 D N -0.619 119.828 120.400 0.077 0.000 2.280 138 D HA 0.344 4.984 4.640 0.000 0.000 0.236 138 D C -0.820 175.480 176.300 0.000 0.000 1.082 138 D CA -0.248 53.773 54.000 0.034 0.000 0.834 138 D CB 1.800 42.613 40.800 0.023 0.000 1.100 138 D HN 0.733 nan 8.370 nan 0.000 0.486 139 E N 2.122 122.309 120.200 -0.022 0.000 2.277 139 E HA 0.305 4.655 4.350 0.000 0.000 0.274 139 E C -2.063 174.426 176.600 -0.184 0.000 1.022 139 E CA -1.863 54.456 56.400 -0.134 0.000 0.853 139 E CB 1.200 30.858 29.700 -0.069 0.000 1.086 139 E HN 0.368 nan 8.360 nan 0.000 0.397 140 P HA 0.123 nan 4.420 nan 0.000 0.271 140 P C -1.333 175.736 177.300 -0.385 0.000 1.216 140 P CA -0.147 62.543 63.100 -0.683 0.000 0.776 140 P CB 1.059 32.213 31.700 -0.911 0.000 0.881 141 A N 3.063 125.752 122.820 -0.217 0.000 2.469 141 A HA 0.428 4.749 4.320 0.000 0.000 0.299 141 A C -1.042 176.638 177.584 0.159 0.000 1.098 141 A CA -0.986 51.051 52.037 0.000 0.000 0.737 141 A CB 0.735 19.767 19.000 0.053 0.000 1.312 141 A HN 0.606 nan 8.150 nan 0.000 0.414 142 Y N 1.815 122.179 120.300 0.107 0.000 2.810 142 Y HA 0.061 4.611 4.550 0.000 0.000 0.332 142 Y C 1.576 177.561 175.900 0.142 0.000 1.243 142 Y CA 0.774 58.972 58.100 0.164 0.000 1.537 142 Y CB 0.825 39.397 38.460 0.187 0.000 1.265 142 Y HN 0.806 nan 8.280 nan 0.000 0.572 143 S N 2.823 118.468 115.700 -0.091 0.000 2.428 143 S HA -0.099 4.371 4.470 0.000 0.000 0.230 143 S C 1.916 176.188 174.600 -0.547 0.000 1.014 143 S CA 0.641 58.652 58.200 -0.315 0.000 0.957 143 S CB -0.563 62.438 63.200 -0.332 0.000 0.784 143 S HN 0.951 nan 8.310 nan 0.000 0.499 144 G N 1.234 109.341 108.800 -1.155 0.000 2.422 144 G HA2 -0.088 3.872 3.960 0.000 0.000 0.218 144 G HA3 -0.088 3.872 3.960 0.000 0.000 0.218 144 G C 1.410 175.995 174.900 -0.524 0.000 1.140 144 G CA 1.252 45.852 45.100 -0.834 0.000 0.775 144 G HN 0.528 nan 8.290 nan 0.000 0.545 145 T N 1.370 115.568 114.554 -0.594 0.000 2.737 145 T HA -0.009 4.342 4.350 0.000 0.000 0.265 145 T C 2.436 176.975 174.700 -0.268 0.000 1.038 145 T CA 0.777 62.747 62.100 -0.216 0.000 1.144 145 T CB -0.217 68.534 68.868 -0.195 0.000 0.866 145 T HN 0.155 nan 8.240 nan 0.000 0.434 146 L N 0.965 122.035 121.223 -0.255 0.000 2.079 146 L HA -0.133 4.208 4.340 0.000 0.000 0.210 146 L C 2.912 179.699 176.870 -0.137 0.000 1.081 146 L CA 1.134 55.861 54.840 -0.189 0.000 0.752 146 L CB -0.568 41.400 42.059 -0.152 0.000 0.896 146 L HN 0.244 nan 8.230 nan 0.000 0.433 147 Q N -0.985 118.725 119.800 -0.150 0.000 2.245 147 Q HA -0.117 4.223 4.340 0.000 0.000 0.201 147 Q C 2.438 178.423 176.000 -0.026 0.000 0.955 147 Q CA 1.289 57.046 55.803 -0.077 0.000 0.870 147 Q CB -0.007 28.670 28.738 -0.102 0.000 0.945 147 Q HN 0.385 nan 8.270 nan 0.000 0.461 148 S N 0.252 115.925 115.700 -0.046 0.000 2.387 148 S HA 0.020 4.490 4.470 0.000 0.000 0.226 148 S C 1.915 176.498 174.600 -0.027 0.000 1.026 148 S CA 0.392 58.605 58.200 0.023 0.000 0.972 148 S CB 0.088 63.382 63.200 0.156 0.000 0.814 148 S HN 0.260 nan 8.310 nan 0.000 0.477 149 L N 0.582 121.718 121.223 -0.145 0.000 2.162 149 L HA 0.015 4.356 4.340 0.000 0.000 0.205 149 L C 2.557 179.379 176.870 -0.081 0.000 1.086 149 L CA 1.199 55.918 54.840 -0.202 0.000 0.778 149 L CB -0.780 41.085 42.059 -0.323 0.000 0.928 149 L HN 0.500 nan 8.230 nan 0.000 0.446 150 H N 1.861 120.860 119.070 -0.117 0.000 2.265 150 H HA -0.164 4.393 4.556 0.001 0.000 0.293 150 H C -0.626 174.669 175.328 -0.055 0.000 1.089 150 H CA 2.189 58.188 56.048 -0.081 0.000 1.244 150 H CB -0.878 28.841 29.762 -0.072 0.000 1.355 150 H HN 0.180 nan 8.280 nan 0.000 0.485 151 P HA -0.038 nan 4.420 nan 0.000 0.237 151 P C 1.424 178.624 177.300 -0.168 0.000 1.178 151 P CA 0.653 63.581 63.100 -0.288 0.000 0.766 151 P CB -0.215 31.413 31.700 -0.121 0.000 0.876 152 L N -1.336 119.819 121.223 -0.114 0.000 2.554 152 L HA 0.185 4.526 4.340 0.000 0.000 0.226 152 L C 1.600 178.424 176.870 -0.075 0.000 1.137 152 L CA 0.744 55.546 54.840 -0.063 0.000 0.863 152 L CB -1.082 40.966 42.059 -0.018 0.000 0.985 152 L HN 0.087 nan 8.230 nan 0.000 0.451 153 G N 0.431 109.162 108.800 -0.114 0.000 2.160 153 G HA2 -0.305 3.656 3.960 0.000 0.000 0.251 153 G HA3 -0.305 3.656 3.960 0.000 0.000 0.251 153 G C 0.409 175.269 174.900 -0.068 0.000 1.008 153 G CA 0.145 45.191 45.100 -0.090 0.000 0.724 153 G HN 0.482 nan 8.290 nan 0.000 0.514 154 C N -0.518 118.734 119.300 -0.079 0.000 2.520 154 C HA 0.720 5.180 4.460 0.000 0.000 0.376 154 C C 0.599 175.544 174.990 -0.075 0.000 1.268 154 C CA -1.755 57.209 59.018 -0.089 0.000 2.414 154 C CB 0.789 28.446 27.740 -0.139 0.000 2.521 154 C HN 0.446 nan 8.230 nan 0.000 0.618 155 N N 1.541 120.198 118.700 -0.071 0.000 2.422 155 N HA 0.369 5.110 4.740 0.000 0.000 0.264 155 N C -0.656 174.803 175.510 -0.085 0.000 1.063 155 N CA 0.118 53.138 53.050 -0.050 0.000 0.959 155 N CB 0.867 39.346 38.487 -0.013 0.000 1.087 155 N HN 0.658 nan 8.380 nan 0.000 0.483 156 I N 3.346 123.873 120.570 -0.072 0.000 2.325 156 I HA 0.295 4.465 4.170 0.000 0.000 0.291 156 I C 0.316 176.407 176.117 -0.043 0.000 1.019 156 I CA -0.424 60.823 61.300 -0.087 0.000 1.302 156 I CB 0.739 38.692 38.000 -0.079 0.000 1.401 156 I HN 0.236 nan 8.210 nan 0.000 0.485 157 I N 5.934 126.477 120.570 -0.045 0.000 2.339 157 I HA 0.213 4.383 4.170 0.000 0.000 0.290 157 I C 0.003 176.119 176.117 -0.002 0.000 0.994 157 I CA -0.608 60.690 61.300 -0.003 0.000 1.191 157 I CB 1.332 39.356 38.000 0.040 0.000 1.343 157 I HN 0.520 nan 8.210 nan 0.000 0.458 158 N N 5.768 124.479 118.700 0.018 0.000 2.470 158 N HA 0.231 4.972 4.740 0.000 0.000 0.268 158 N C -0.955 174.572 175.510 0.029 0.000 1.136 158 N CA -0.082 52.987 53.050 0.032 0.000 0.961 158 N CB 1.005 39.527 38.487 0.060 0.000 1.067 158 N HN 0.281 nan 8.380 nan 0.000 0.468 159 V N 2.606 122.536 119.914 0.028 0.000 2.427 159 V HA 0.594 4.714 4.120 0.000 0.000 0.286 159 V C 0.635 176.755 176.094 0.043 0.000 1.034 159 V CA -1.149 61.170 62.300 0.031 0.000 0.893 159 V CB 0.911 32.749 31.823 0.026 0.000 0.982 159 V HN 0.880 nan 8.190 nan 0.000 0.452 160 A N 4.459 127.308 122.820 0.048 0.000 2.483 160 A HA 0.602 4.923 4.320 0.000 0.000 0.238 160 A C 0.559 178.175 177.584 0.053 0.000 1.070 160 A CA 0.335 52.407 52.037 0.058 0.000 0.770 160 A CB 0.112 19.147 19.000 0.059 0.000 1.008 160 A HN 1.216 nan 8.150 nan 0.000 0.497 161 S N 0.502 116.235 115.700 0.055 0.000 2.651 161 S HA 0.828 5.298 4.470 0.000 0.000 0.279 161 S C -0.945 173.682 174.600 0.045 0.000 1.148 161 S CA -0.154 58.071 58.200 0.040 0.000 0.837 161 S CB 2.019 65.229 63.200 0.018 0.000 1.138 161 S HN 0.976 nan 8.310 nan 0.000 0.478 162 D N -1.045 119.367 120.400 0.020 0.000 3.344 162 D HA 0.233 4.873 4.640 0.000 0.000 0.308 162 D C 0.804 177.061 176.300 -0.071 0.000 1.356 162 D CA -0.433 53.568 54.000 0.001 0.000 0.998 162 D CB -0.469 40.335 40.800 0.007 0.000 1.370 162 D HN 0.505 nan 8.370 nan 0.000 0.610 163 E N 0.073 120.160 120.200 -0.188 0.000 2.338 163 E HA -0.062 4.288 4.350 0.000 0.000 0.197 163 E C 0.557 177.091 176.600 -0.110 0.000 1.007 163 E CA 0.866 57.101 56.400 -0.276 0.000 0.849 163 E CB -0.414 28.983 29.700 -0.506 0.000 0.774 163 E HN 0.221 nan 8.360 nan 0.000 0.506 164 S N 0.449 116.112 115.700 -0.062 0.000 2.583 164 S HA 0.434 4.904 4.470 0.000 0.000 0.239 164 S C 0.654 175.248 174.600 -0.010 0.000 0.966 164 S CA 0.155 58.340 58.200 -0.025 0.000 0.973 164 S CB 0.502 63.696 63.200 -0.009 0.000 0.794 164 S HN 0.699 nan 8.310 nan 0.000 0.463 165 G N 1.958 110.750 108.800 -0.014 0.000 2.568 165 G HA2 -0.221 3.739 3.960 0.000 0.000 0.222 165 G HA3 -0.221 3.739 3.960 0.000 0.000 0.222 165 G C -0.325 174.589 174.900 0.022 0.000 1.321 165 G CA -0.833 44.268 45.100 0.002 0.000 0.893 165 G HN 0.361 nan 8.290 nan 0.000 0.569 166 I N 0.318 120.914 120.570 0.044 0.000 2.919 166 I HA 0.086 4.256 4.170 0.000 0.000 0.303 166 I C 0.997 177.153 176.117 0.066 0.000 1.221 166 I CA 0.274 61.611 61.300 0.062 0.000 1.444 166 I CB 0.416 38.471 38.000 0.091 0.000 1.331 166 I HN 0.366 nan 8.210 nan 0.000 0.572 167 V N 9.388 129.339 119.914 0.061 0.000 2.348 167 V HA 0.107 4.227 4.120 0.000 0.000 0.270 167 V C -1.420 174.718 176.094 0.072 0.000 1.037 167 V CA -1.109 61.227 62.300 0.060 0.000 0.872 167 V CB 1.003 32.857 31.823 0.052 0.000 1.002 167 V HN 0.662 nan 8.190 nan 0.000 0.464 168 P HA -0.132 nan 4.420 nan 0.000 0.216 168 P C 0.895 178.246 177.300 0.086 0.000 1.150 168 P CA 1.232 64.391 63.100 0.099 0.000 0.837 168 P CB 0.257 32.020 31.700 0.104 0.000 0.786 169 D N -1.160 119.282 120.400 0.071 0.000 2.149 169 D HA -0.157 4.483 4.640 0.000 0.000 0.198 169 D C 2.035 178.367 176.300 0.052 0.000 0.990 169 D CA 1.481 55.518 54.000 0.061 0.000 0.839 169 D CB -0.826 40.005 40.800 0.053 0.000 0.948 169 D HN 0.133 nan 8.370 nan 0.000 0.460 170 S N -0.216 115.514 115.700 0.050 0.000 2.387 170 S HA -0.099 4.371 4.470 0.000 0.000 0.226 170 S C 1.810 176.432 174.600 0.037 0.000 1.026 170 S CA 0.272 58.496 58.200 0.040 0.000 0.972 170 S CB -0.261 62.964 63.200 0.042 0.000 0.814 170 S HN 0.176 nan 8.310 nan 0.000 0.477 171 L N 2.326 123.580 121.223 0.051 0.000 2.042 171 L HA 0.045 4.385 4.340 0.000 0.000 0.210 171 L C 2.518 179.410 176.870 0.035 0.000 1.076 171 L CA 2.096 56.965 54.840 0.049 0.000 0.749 171 L CB -0.964 41.149 42.059 0.090 0.000 0.893 171 L HN 0.361 nan 8.230 nan 0.000 0.432 172 R N -0.340 120.193 120.500 0.056 0.000 2.081 172 R HA -0.200 4.141 4.340 0.000 0.000 0.235 172 R C 1.953 178.269 176.300 0.025 0.000 1.131 172 R CA 1.904 58.041 56.100 0.060 0.000 0.960 172 R CB -0.378 29.975 30.300 0.089 0.000 0.856 172 R HN 0.711 nan 8.270 nan 0.000 0.436 173 D N -0.420 119.992 120.400 0.019 0.000 2.249 173 D HA -0.102 4.538 4.640 0.000 0.000 0.205 173 D C 1.851 178.127 176.300 -0.041 0.000 0.962 173 D CA 0.799 54.798 54.000 -0.000 0.000 0.860 173 D CB -0.169 40.635 40.800 0.007 0.000 0.955 173 D HN 0.382 nan 8.370 nan 0.000 0.505 174 I N 0.182 120.730 120.570 -0.036 0.000 2.179 174 I HA -0.199 3.972 4.170 0.000 0.000 0.242 174 I C 2.330 178.400 176.117 -0.079 0.000 1.088 174 I CA 0.848 62.113 61.300 -0.059 0.000 1.357 174 I CB -0.147 37.853 38.000 0.000 0.000 1.051 174 I HN 0.035 nan 8.210 nan 0.000 0.409 175 L N 0.432 121.622 121.223 -0.055 0.000 2.275 175 L HA -0.163 4.177 4.340 0.000 0.000 0.215 175 L C 2.613 179.405 176.870 -0.131 0.000 1.119 175 L CA 1.249 56.012 54.840 -0.129 0.000 0.790 175 L CB -0.583 41.073 42.059 -0.672 0.000 0.919 175 L HN 0.362 nan 8.230 nan 0.000 0.443 176 S N 0.431 116.090 115.700 -0.068 0.000 2.537 176 S HA -0.181 4.289 4.470 0.000 0.000 0.240 176 S C 1.971 176.546 174.600 -0.042 0.000 0.981 176 S CA 0.553 58.778 58.200 0.041 0.000 0.948 176 S CB -0.459 62.766 63.200 0.041 0.000 0.759 176 S HN 0.563 nan 8.310 nan 0.000 0.531 177 R N -0.300 120.048 120.500 -0.253 0.000 2.280 177 R HA 0.056 4.397 4.340 0.000 0.000 0.207 177 R C -0.067 175.947 176.300 -0.477 0.000 1.043 177 R CA 0.161 55.989 56.100 -0.453 0.000 1.006 177 R CB -0.173 29.683 30.300 -0.740 0.000 0.885 177 R HN 0.494 nan 8.270 nan 0.000 0.467 178 W N 1.601 122.944 121.300 0.072 0.000 2.655 178 W HA 0.471 5.131 4.660 0.001 0.000 0.358 178 W C -0.177 176.478 176.519 0.228 0.000 1.100 178 W CA -1.148 56.276 57.345 0.132 0.000 1.195 178 W CB 1.001 30.551 29.460 0.151 0.000 1.403 178 W HN -0.214 nan 8.180 nan 0.000 0.589 179 K N 1.401 122.039 120.400 0.396 0.000 2.183 179 K HA 0.192 4.512 4.320 0.000 0.000 0.274 179 K C -1.574 175.136 176.600 0.183 0.000 1.009 179 K CA -1.443 54.986 56.287 0.236 0.000 0.888 179 K CB 1.987 34.571 32.500 0.140 0.000 1.078 179 K HN -0.076 nan 8.250 nan 0.000 0.459 180 P HA -0.229 nan 4.420 nan 0.000 0.216 180 P C 0.630 177.889 177.300 -0.067 0.000 1.150 180 P CA 1.165 64.145 63.100 -0.199 0.000 0.837 180 P CB 0.237 31.706 31.700 -0.386 0.000 0.786 181 E N -0.700 119.480 120.200 -0.033 0.000 2.409 181 E HA -0.154 4.196 4.350 0.000 0.000 0.198 181 E C 0.632 177.234 176.600 0.002 0.000 1.024 181 E CA 0.977 57.366 56.400 -0.019 0.000 0.861 181 E CB -0.889 28.802 29.700 -0.015 0.000 0.788 181 E HN 0.301 nan 8.360 nan 0.000 0.521 182 D N 1.186 121.608 120.400 0.036 0.000 2.348 182 D HA 0.136 4.776 4.640 0.000 0.000 0.211 182 D C 1.760 178.064 176.300 0.006 0.000 0.998 182 D CA 0.881 54.905 54.000 0.040 0.000 0.873 182 D CB 0.146 41.004 40.800 0.097 0.000 0.925 182 D HN 0.262 nan 8.370 nan 0.000 0.524 183 A N 1.321 124.142 122.820 0.001 0.000 1.892 183 A HA -0.230 4.091 4.320 0.000 0.000 0.218 183 A C 1.952 179.480 177.584 -0.094 0.000 1.188 183 A CA 1.460 53.476 52.037 -0.034 0.000 0.631 183 A CB -0.326 18.669 19.000 -0.009 0.000 0.822 183 A HN 0.119 nan 8.150 nan 0.000 0.447 184 K N -0.380 119.968 120.400 -0.086 0.000 2.444 184 K HA 0.033 4.353 4.320 0.000 0.000 0.193 184 K C 0.117 176.664 176.600 -0.089 0.000 1.024 184 K CA -0.200 56.020 56.287 -0.112 0.000 1.077 184 K CB -0.001 32.442 32.500 -0.095 0.000 0.833 184 K HN 0.379 nan 8.250 nan 0.000 0.517 185 N N 1.892 120.554 118.700 -0.063 0.000 2.411 185 N HA 0.044 4.784 4.740 0.000 0.000 0.259 185 N C -2.053 173.424 175.510 -0.055 0.000 1.103 185 N CA -1.964 51.058 53.050 -0.046 0.000 0.954 185 N CB 1.318 39.794 38.487 -0.020 0.000 1.085 185 N HN -0.125 nan 8.380 nan 0.000 0.485 186 P HA -0.044 nan 4.420 nan 0.000 0.226 186 P C 0.347 177.624 177.300 -0.039 0.000 1.153 186 P CA 1.042 64.106 63.100 -0.060 0.000 0.777 186 P CB 0.416 32.084 31.700 -0.052 0.000 0.794 187 Q N -0.778 119.008 119.800 -0.024 0.000 2.220 187 Q HA 0.138 4.478 4.340 0.000 0.000 0.205 187 Q C 0.084 176.086 176.000 0.004 0.000 0.865 187 Q CA 0.410 56.207 55.803 -0.010 0.000 0.960 187 Q CB 0.619 29.355 28.738 -0.005 0.000 1.097 187 Q HN 0.258 nan 8.270 nan 0.000 0.493 188 K N 1.189 121.590 120.400 0.001 0.000 2.292 188 K HA 0.248 4.568 4.320 0.000 0.000 0.257 188 K C -0.332 176.270 176.600 0.004 0.000 0.940 188 K CA -0.586 55.719 56.287 0.029 0.000 0.811 188 K CB 1.355 33.883 32.500 0.046 0.000 1.120 188 K HN -0.179 nan 8.250 nan 0.000 0.428 189 N N 1.896 120.619 118.700 0.038 0.000 2.758 189 N HA -0.010 4.730 4.740 0.000 0.000 0.293 189 N C -0.633 174.779 175.510 -0.164 0.000 1.273 189 N CA -0.083 52.956 53.050 -0.018 0.000 1.022 189 N CB 0.127 38.642 38.487 0.047 0.000 1.334 189 N HN 0.577 nan 8.380 nan 0.000 0.519 190 T N -1.077 113.299 114.554 -0.296 0.000 2.932 190 T HA 0.220 4.570 4.350 0.000 0.000 0.312 190 T C -2.363 171.951 174.700 -0.644 0.000 1.071 190 T CA -1.214 60.457 62.100 -0.715 0.000 1.128 190 T CB 0.479 69.150 68.868 -0.329 0.000 0.984 190 T HN 0.112 nan 8.240 nan 0.000 0.549 191 P HA 0.161 nan 4.420 nan 0.000 0.266 191 P C 0.603 177.741 177.300 -0.270 0.000 1.195 191 P CA -0.394 62.321 63.100 -0.642 0.000 0.768 191 P CB 0.588 31.781 31.700 -0.845 0.000 0.838 192 K N 1.785 122.055 120.400 -0.218 0.000 2.137 192 K HA 0.101 4.421 4.320 0.000 0.000 0.202 192 K C 0.844 177.624 176.600 0.299 0.000 1.052 192 K CA 1.125 57.486 56.287 0.123 0.000 0.961 192 K CB -0.161 32.416 32.500 0.127 0.000 0.741 192 K HN 0.678 nan 8.250 nan 0.000 0.452 193 F N -2.008 117.944 119.950 0.005 0.000 2.741 193 F HA 0.483 5.010 4.527 0.000 0.000 0.311 193 F C -1.612 174.083 175.800 -0.175 0.000 1.149 193 F CA -1.767 56.247 58.000 0.023 0.000 0.930 193 F CB 0.751 39.800 39.000 0.082 0.000 1.312 193 F HN -0.271 nan 8.300 nan 0.000 0.450 194 L N 2.960 124.332 121.223 0.248 0.000 2.322 194 L HA 0.591 4.932 4.340 0.000 0.000 0.281 194 L C -1.688 175.397 176.870 0.359 0.000 1.014 194 L CA -0.812 54.106 54.840 0.130 0.000 0.815 194 L CB 1.549 43.618 42.059 0.017 0.000 1.247 194 L HN 0.741 nan 8.230 nan 0.000 0.421 195 Y N 4.013 124.469 120.300 0.259 0.000 2.352 195 Y HA 0.728 5.278 4.550 0.000 0.000 0.339 195 Y C -0.559 175.410 175.900 0.114 0.000 0.992 195 Y CA -0.119 58.108 58.100 0.212 0.000 1.100 195 Y CB 1.677 40.337 38.460 0.334 0.000 1.192 195 Y HN 0.773 nan 8.280 nan 0.000 0.458 196 T N 4.682 118.918 114.554 -0.530 0.000 2.868 196 T HA 0.499 4.850 4.350 0.000 0.000 0.306 196 T C -1.984 172.407 174.700 -0.515 0.000 1.224 196 T CA -0.618 61.235 62.100 -0.412 0.000 1.012 196 T CB 1.117 69.949 68.868 -0.060 0.000 1.221 196 T HN 0.424 nan 8.240 nan 0.000 0.499 197 V N 5.435 125.175 119.914 -0.289 0.000 2.277 197 V HA 0.319 4.440 4.120 0.000 0.000 0.269 197 V C -1.750 174.315 176.094 -0.048 0.000 1.036 197 V CA -1.432 60.774 62.300 -0.155 0.000 0.821 197 V CB 1.080 32.870 31.823 -0.055 0.000 1.052 197 V HN 0.715 nan 8.190 nan 0.000 0.462 198 P HA 0.022 nan 4.420 nan 0.000 0.225 198 P C 0.204 177.495 177.300 -0.016 0.000 1.156 198 P CA 0.830 63.935 63.100 0.008 0.000 0.787 198 P CB 0.317 32.021 31.700 0.008 0.000 0.802 199 N N -0.257 118.443 118.700 -0.000 0.000 2.354 199 N HA 0.348 5.088 4.740 0.000 0.000 0.287 199 N C 0.405 175.929 175.510 0.024 0.000 1.016 199 N CA -0.178 52.865 53.050 -0.011 0.000 0.871 199 N CB 1.553 40.028 38.487 -0.021 0.000 1.299 199 N HN -0.018 nan 8.380 nan 0.000 0.482 200 G N 1.871 110.643 108.800 -0.045 0.000 2.295 200 G HA2 -0.308 3.652 3.960 0.000 0.000 0.287 200 G HA3 -0.308 3.652 3.960 0.000 0.000 0.287 200 G C 0.272 175.114 174.900 -0.096 0.000 1.055 200 G CA 0.060 45.092 45.100 -0.113 0.000 0.922 200 G HN 0.823 nan 8.290 nan 0.000 0.503 201 N N -0.181 118.492 118.700 -0.045 0.000 2.225 201 N HA -0.067 4.673 4.740 0.000 0.000 0.257 201 N C 0.214 175.658 175.510 -0.111 0.000 1.252 201 N CA 0.515 53.535 53.050 -0.049 0.000 0.833 201 N CB 0.204 38.635 38.487 -0.093 0.000 1.068 201 N HN 0.416 nan 8.380 nan 0.000 0.468 202 N N 4.063 122.728 118.700 -0.059 0.000 2.419 202 N HA 0.266 5.006 4.740 0.000 0.000 0.264 202 N C -2.053 173.202 175.510 -0.425 0.000 1.031 202 N CA -2.119 50.801 53.050 -0.217 0.000 0.951 202 N CB 1.362 39.831 38.487 -0.032 0.000 1.101 202 N HN 0.409 nan 8.380 nan 0.000 0.488 203 P HA 0.106 nan 4.420 nan 0.000 0.272 203 P C 0.691 177.553 177.300 -0.730 0.000 1.276 203 P CA 0.360 62.818 63.100 -1.070 0.000 0.871 203 P CB 0.234 30.834 31.700 -1.834 0.000 1.313 204 T N -4.351 109.753 114.554 -0.751 0.000 2.985 204 T HA 0.186 4.536 4.350 0.000 0.000 0.266 204 T C 1.742 176.418 174.700 -0.039 0.000 1.076 204 T CA 1.249 63.019 62.100 -0.550 0.000 1.135 204 T CB -1.177 67.398 68.868 -0.489 0.000 0.890 204 T HN 0.192 nan 8.240 nan 0.000 0.480 205 G N 1.430 110.214 108.800 -0.027 0.000 2.176 205 G HA2 -0.258 3.702 3.960 0.000 0.000 0.253 205 G HA3 -0.258 3.702 3.960 0.000 0.000 0.253 205 G C -0.084 174.852 174.900 0.059 0.000 0.979 205 G CA 0.032 45.184 45.100 0.088 0.000 0.641 205 G HN 0.706 nan 8.290 nan 0.000 0.530 206 N N 0.343 119.048 118.700 0.008 0.000 2.515 206 N HA 0.583 5.323 4.740 0.000 0.000 0.279 206 N C -0.356 175.144 175.510 -0.017 0.000 1.164 206 N CA 0.144 53.197 53.050 0.005 0.000 0.982 206 N CB 1.068 39.542 38.487 -0.020 0.000 1.170 206 N HN 0.162 nan 8.380 nan 0.000 0.474 207 S N 0.914 116.606 115.700 -0.013 0.000 2.542 207 S HA 0.379 4.850 4.470 0.000 0.000 0.293 207 S C -0.325 174.262 174.600 -0.022 0.000 1.089 207 S CA -0.734 57.451 58.200 -0.025 0.000 0.961 207 S CB 1.122 64.300 63.200 -0.036 0.000 1.062 207 S HN 0.296 nan 8.310 nan 0.000 0.483 208 L N 2.895 124.101 121.223 -0.028 0.000 2.426 208 L HA 0.250 4.590 4.340 0.000 0.000 0.271 208 L C 1.246 178.086 176.870 -0.049 0.000 1.169 208 L CA -0.201 54.620 54.840 -0.032 0.000 0.836 208 L CB 0.658 42.689 42.059 -0.046 0.000 1.112 208 L HN 0.778 nan 8.230 nan 0.000 0.465 209 T N -1.281 113.254 114.554 -0.031 0.000 2.847 209 T HA 0.067 4.417 4.350 0.000 0.000 0.279 209 T C 1.086 175.754 174.700 -0.052 0.000 0.984 209 T CA -0.211 61.874 62.100 -0.025 0.000 0.988 209 T CB 1.552 70.421 68.868 0.001 0.000 1.040 209 T HN 0.567 nan 8.240 nan 0.000 0.528 210 S N 0.008 115.686 115.700 -0.036 0.000 2.387 210 S HA -0.101 4.370 4.470 0.000 0.000 0.226 210 S C 1.700 176.277 174.600 -0.040 0.000 1.026 210 S CA 1.351 59.515 58.200 -0.059 0.000 0.972 210 S CB -0.723 62.468 63.200 -0.015 0.000 0.814 210 S HN 0.795 nan 8.310 nan 0.000 0.477 211 E N 1.296 121.493 120.200 -0.005 0.000 2.077 211 E HA -0.051 4.299 4.350 0.000 0.000 0.193 211 E C 2.358 178.977 176.600 0.031 0.000 0.989 211 E CA 1.057 57.467 56.400 0.016 0.000 0.800 211 E CB -0.229 29.485 29.700 0.024 0.000 0.746 211 E HN 0.448 nan 8.360 nan 0.000 0.452 212 R N 0.979 121.495 120.500 0.027 0.000 2.091 212 R HA -0.103 4.237 4.340 0.000 0.000 0.238 212 R C 2.224 178.575 176.300 0.085 0.000 1.136 212 R CA 1.449 57.583 56.100 0.056 0.000 0.959 212 R CB -0.265 30.064 30.300 0.048 0.000 0.856 212 R HN 0.121 nan 8.270 nan 0.000 0.437 213 K N 0.799 121.191 120.400 -0.013 0.000 2.020 213 K HA -0.175 4.145 4.320 0.000 0.000 0.212 213 K C 2.103 178.792 176.600 0.148 0.000 1.050 213 K CA 1.537 57.770 56.287 -0.089 0.000 0.929 213 K CB -0.088 32.092 32.500 -0.533 0.000 0.714 213 K HN 0.131 nan 8.250 nan 0.000 0.443 214 K N 1.014 121.458 120.400 0.073 0.000 2.020 214 K HA -0.211 4.109 4.320 0.000 0.000 0.212 214 K C 2.130 178.850 176.600 0.200 0.000 1.050 214 K CA 1.539 57.905 56.287 0.132 0.000 0.929 214 K CB -0.214 32.324 32.500 0.064 0.000 0.714 214 K HN 0.289 nan 8.250 nan 0.000 0.443 215 E N 0.671 120.966 120.200 0.158 0.000 2.070 215 E HA -0.193 4.157 4.350 0.000 0.000 0.197 215 E C 2.139 178.859 176.600 0.200 0.000 1.004 215 E CA 1.194 57.689 56.400 0.159 0.000 0.805 215 E CB -0.170 29.605 29.700 0.126 0.000 0.744 215 E HN 0.297 nan 8.360 nan 0.000 0.451 216 I N -0.070 120.655 120.570 0.258 0.000 2.252 216 I HA -0.271 3.900 4.170 0.000 0.000 0.245 216 I C 2.332 178.596 176.117 0.245 0.000 1.102 216 I CA 0.925 62.396 61.300 0.286 0.000 1.385 216 I CB -0.266 37.969 38.000 0.392 0.000 1.064 216 I HN 0.145 nan 8.210 nan 0.000 0.414 217 Y N 2.011 122.454 120.300 0.239 0.000 2.181 217 Y HA -0.278 4.272 4.550 0.000 0.000 0.288 217 Y C 2.444 178.366 175.900 0.036 0.000 1.146 217 Y CA 1.819 60.000 58.100 0.135 0.000 1.164 217 Y CB -0.136 38.446 38.460 0.202 0.000 0.982 217 Y HN 0.195 nan 8.280 nan 0.000 0.515 218 E N -0.002 120.306 120.200 0.180 0.000 2.077 218 E HA -0.232 4.118 4.350 0.000 0.000 0.193 218 E C 2.192 178.793 176.600 0.002 0.000 0.989 218 E CA 1.550 58.003 56.400 0.089 0.000 0.800 218 E CB -0.401 29.375 29.700 0.126 0.000 0.746 218 E HN 0.489 nan 8.360 nan 0.000 0.452 219 L N 0.787 122.042 121.223 0.054 0.000 2.046 219 L HA -0.197 4.144 4.340 0.000 0.000 0.208 219 L C 2.619 179.420 176.870 -0.115 0.000 1.077 219 L CA 1.122 56.036 54.840 0.123 0.000 0.747 219 L CB -0.470 41.728 42.059 0.231 0.000 0.896 219 L HN 0.153 nan 8.230 nan 0.000 0.432 220 A N -0.120 122.382 122.820 -0.531 0.000 1.930 220 A HA -0.221 4.099 4.320 0.000 0.000 0.217 220 A C 2.445 179.501 177.584 -0.880 0.000 1.175 220 A CA 1.639 52.832 52.037 -1.407 0.000 0.627 220 A CB -0.531 17.802 19.000 -1.112 0.000 0.815 220 A HN 0.381 nan 8.150 nan 0.000 0.443 221 R N -0.024 120.130 120.500 -0.575 0.000 2.066 221 R HA -0.125 4.215 4.340 0.000 0.000 0.232 221 R C 2.254 178.422 176.300 -0.220 0.000 1.131 221 R CA 1.789 57.675 56.100 -0.357 0.000 0.955 221 R CB -0.334 29.813 30.300 -0.255 0.000 0.851 221 R HN 0.491 nan 8.270 nan 0.000 0.432 222 K N -0.394 119.909 120.400 -0.162 0.000 2.032 222 K HA -0.200 4.120 4.320 0.000 0.000 0.209 222 K C 1.316 177.722 176.600 -0.323 0.000 1.048 222 K CA 1.839 58.013 56.287 -0.189 0.000 0.927 222 K CB -0.149 32.277 32.500 -0.123 0.000 0.712 222 K HN 0.296 nan 8.250 nan 0.000 0.441 223 Y N 0.380 120.641 120.300 -0.064 0.000 2.466 223 Y HA 0.068 4.618 4.550 0.000 0.000 0.272 223 Y C -0.099 175.802 175.900 0.002 0.000 1.169 223 Y CA 0.162 58.288 58.100 0.044 0.000 1.285 223 Y CB 0.413 39.027 38.460 0.257 0.000 1.078 223 Y HN 0.204 nan 8.280 nan 0.000 0.523 224 D N 0.762 121.116 120.400 -0.076 0.000 2.746 224 D HA -0.217 4.423 4.640 0.000 0.000 0.241 224 D C -1.010 175.377 176.300 0.144 0.000 1.140 224 D CA 0.681 54.655 54.000 -0.044 0.000 0.707 224 D CB -1.354 39.449 40.800 0.005 0.000 1.034 224 D HN 0.324 nan 8.370 nan 0.000 0.423 225 F N -1.442 118.576 119.950 0.113 0.000 2.618 225 F HA 0.719 5.246 4.527 0.000 0.000 0.332 225 F C 0.056 175.847 175.800 -0.015 0.000 1.061 225 F CA -1.562 56.529 58.000 0.153 0.000 0.974 225 F CB 0.680 39.721 39.000 0.069 0.000 1.310 225 F HN -0.131 nan 8.300 nan 0.000 0.491 226 L N 1.837 123.174 121.223 0.190 0.000 2.439 226 L HA 0.439 4.780 4.340 0.000 0.000 0.261 226 L C -0.366 176.603 176.870 0.164 0.000 1.153 226 L CA -0.599 54.225 54.840 -0.026 0.000 0.808 226 L CB 1.027 42.976 42.059 -0.184 0.000 1.126 226 L HN 0.568 nan 8.230 nan 0.000 0.460 227 I N 2.779 123.334 120.570 -0.025 0.000 2.389 227 I HA 0.303 4.474 4.170 0.000 0.000 0.288 227 I C -0.395 175.643 176.117 -0.132 0.000 0.999 227 I CA -0.460 60.785 61.300 -0.091 0.000 1.129 227 I CB 2.048 39.837 38.000 -0.353 0.000 1.288 227 I HN 0.444 nan 8.210 nan 0.000 0.444 228 I N 5.894 126.406 120.570 -0.097 0.000 2.307 228 I HA 0.317 4.487 4.170 0.000 0.000 0.289 228 I C -0.161 175.854 176.117 -0.169 0.000 1.021 228 I CA 0.152 61.368 61.300 -0.139 0.000 1.224 228 I CB 0.871 38.766 38.000 -0.175 0.000 1.376 228 I HN 0.598 nan 8.210 nan 0.000 0.470 229 E N 5.869 125.962 120.200 -0.178 0.000 2.014 229 E HA 0.145 4.495 4.350 0.000 0.000 0.275 229 E C -1.162 175.316 176.600 -0.203 0.000 0.997 229 E CA -0.591 55.716 56.400 -0.154 0.000 0.804 229 E CB 0.549 30.217 29.700 -0.054 0.000 1.090 229 E HN 0.679 nan 8.360 nan 0.000 0.401 230 D N 3.819 124.065 120.400 -0.257 0.000 2.396 230 D HA 0.113 4.753 4.640 0.000 0.000 0.225 230 D C -0.927 175.250 176.300 -0.206 0.000 1.121 230 D CA -0.372 53.503 54.000 -0.207 0.000 0.853 230 D CB 0.982 41.709 40.800 -0.122 0.000 1.043 230 D HN 0.236 nan 8.370 nan 0.000 0.500 231 D N 4.442 124.704 120.400 -0.230 0.000 2.963 231 D HA 0.195 4.835 4.640 0.000 0.000 0.361 231 D C -1.817 174.349 176.300 -0.223 0.000 1.317 231 D CA -1.534 52.351 54.000 -0.192 0.000 0.832 231 D CB 1.083 41.751 40.800 -0.220 0.000 1.135 231 D HN 0.270 nan 8.370 nan 0.000 0.476 232 P HA -0.073 nan 4.420 nan 0.000 0.226 232 P C 0.618 177.620 177.300 -0.496 0.000 1.153 232 P CA 0.641 63.456 63.100 -0.475 0.000 0.777 232 P CB -0.046 31.237 31.700 -0.695 0.000 0.794 233 Y N -3.226 117.038 120.300 -0.059 0.000 2.485 233 Y HA 0.134 4.684 4.550 0.001 0.000 0.260 233 Y C 2.279 178.120 175.900 -0.099 0.000 1.173 233 Y CA -0.750 57.297 58.100 -0.088 0.000 1.252 233 Y CB -0.810 37.564 38.460 -0.144 0.000 1.123 233 Y HN -0.168 nan 8.280 nan 0.000 0.524 234 Y N 0.563 120.775 120.300 -0.147 0.000 2.096 234 Y HA -0.349 4.202 4.550 0.001 0.000 0.278 234 Y C 1.240 176.954 175.900 -0.310 0.000 1.192 234 Y CA 1.607 59.532 58.100 -0.291 0.000 1.143 234 Y CB -0.670 37.505 38.460 -0.475 0.000 0.963 234 Y HN 0.144 nan 8.280 nan 0.000 0.505 235 F N -0.797 119.131 119.950 -0.037 0.000 2.811 235 F HA 0.108 4.636 4.527 0.000 0.000 0.301 235 F C 0.548 176.280 175.800 -0.114 0.000 1.151 235 F CA 0.300 58.245 58.000 -0.091 0.000 1.412 235 F CB -0.221 38.853 39.000 0.123 0.000 1.113 235 F HN -0.036 nan 8.300 nan 0.000 0.579 236 L N 0.436 121.642 121.223 -0.028 0.000 3.096 236 L HA 0.253 4.593 4.340 0.000 0.000 0.247 236 L C -0.139 176.485 176.870 -0.410 0.000 1.321 236 L CA 0.188 54.954 54.840 -0.123 0.000 1.044 236 L CB -0.119 41.863 42.059 -0.127 0.000 1.434 236 L HN -0.012 nan 8.230 nan 0.000 0.533 237 Q N -0.698 118.892 119.800 -0.350 0.000 2.303 237 Q HA 0.288 4.629 4.340 0.000 0.000 0.257 237 Q C 0.474 176.316 176.000 -0.263 0.000 0.941 237 Q CA -0.266 55.282 55.803 -0.425 0.000 0.931 237 Q CB 1.085 29.636 28.738 -0.311 0.000 1.215 237 Q HN 0.354 nan 8.270 nan 0.000 0.437 238 F N 1.218 121.178 119.950 0.017 0.000 2.325 238 F HA -0.150 4.377 4.527 0.001 0.000 0.299 238 F C 1.764 177.580 175.800 0.026 0.000 1.090 238 F CA 0.438 58.456 58.000 0.029 0.000 1.392 238 F CB 0.079 39.096 39.000 0.027 0.000 1.053 238 F HN 0.584 nan 8.300 nan 0.000 0.521 239 N N 0.551 119.352 118.700 0.168 0.000 2.322 239 N HA -0.049 4.691 4.740 0.000 0.000 0.194 239 N C 0.173 175.756 175.510 0.121 0.000 1.126 239 N CA 0.096 53.227 53.050 0.134 0.000 0.845 239 N CB -0.478 38.084 38.487 0.124 0.000 0.976 239 N HN 0.130 nan 8.380 nan 0.000 0.475 240 K N -1.465 118.987 120.400 0.085 0.000 3.193 240 K HA -0.246 4.074 4.320 0.000 0.000 0.294 240 K C -0.877 175.801 176.600 0.130 0.000 1.185 240 K CA 0.818 57.148 56.287 0.073 0.000 0.866 240 K CB -2.172 30.379 32.500 0.085 0.000 1.227 240 K HN 0.382 nan 8.250 nan 0.000 0.467 241 F N 1.895 121.827 119.950 -0.029 0.000 2.449 241 F HA 0.349 4.877 4.527 0.001 0.000 0.342 241 F C -0.099 175.662 175.800 -0.066 0.000 1.127 241 F CA -1.082 56.897 58.000 -0.034 0.000 0.975 241 F CB 0.923 39.912 39.000 -0.018 0.000 1.146 241 F HN -0.167 nan 8.300 nan 0.000 0.444 242 R N 5.885 125.893 120.500 -0.820 0.000 2.229 242 R HA 0.526 4.866 4.340 0.000 0.000 0.328 242 R C -0.479 175.305 176.300 -0.859 0.000 1.009 242 R CA -0.941 54.748 56.100 -0.686 0.000 0.864 242 R CB 1.539 31.497 30.300 -0.569 0.000 1.085 242 R HN 0.606 nan 8.270 nan 0.000 0.453 243 V N 1.331 120.919 119.914 -0.544 0.000 3.133 243 V HA 0.384 4.504 4.120 0.000 0.000 0.305 243 V C -2.109 173.875 176.094 -0.184 0.000 1.084 243 V CA -2.037 60.052 62.300 -0.352 0.000 1.089 243 V CB 0.411 32.148 31.823 -0.144 0.000 1.073 243 V HN 0.558 nan 8.190 nan 0.000 0.477 244 P HA 0.176 nan 4.420 nan 0.000 0.265 244 P C 0.014 177.228 177.300 -0.143 0.000 1.187 244 P CA 0.364 63.413 63.100 -0.085 0.000 0.766 244 P CB 0.103 31.754 31.700 -0.082 0.000 0.820 245 T N -1.009 113.469 114.554 -0.127 0.000 2.881 245 T HA 0.307 4.658 4.350 0.000 0.000 0.278 245 T C 0.979 175.528 174.700 -0.252 0.000 0.982 245 T CA -0.392 61.559 62.100 -0.247 0.000 0.989 245 T CB 0.226 68.854 68.868 -0.400 0.000 1.058 245 T HN 0.131 nan 8.240 nan 0.000 0.529 246 F N -0.111 119.750 119.950 -0.149 0.000 2.161 246 F HA -0.018 4.510 4.527 0.001 0.000 0.300 246 F C 2.255 177.963 175.800 -0.153 0.000 1.089 246 F CA 0.770 58.708 58.000 -0.102 0.000 1.282 246 F CB -0.414 38.572 39.000 -0.023 0.000 1.010 246 F HN 0.415 nan 8.300 nan 0.000 0.485 247 L N 0.435 121.635 121.223 -0.039 0.000 2.083 247 L HA -0.223 4.117 4.340 0.000 0.000 0.209 247 L C 2.625 179.422 176.870 -0.122 0.000 1.083 247 L CA 2.085 56.850 54.840 -0.125 0.000 0.752 247 L CB -0.974 40.920 42.059 -0.275 0.000 0.899 247 L HN 0.183 nan 8.230 nan 0.000 0.433 248 S N -0.141 115.482 115.700 -0.129 0.000 2.419 248 S HA -0.241 4.229 4.470 0.000 0.000 0.233 248 S C 1.711 176.239 174.600 -0.120 0.000 1.016 248 S CA 1.356 59.513 58.200 -0.073 0.000 0.974 248 S CB -0.782 62.403 63.200 -0.025 0.000 0.786 248 S HN 0.688 nan 8.310 nan 0.000 0.492 249 M N -0.116 119.369 119.600 -0.192 0.000 2.404 249 M HA 0.429 4.909 4.480 0.000 0.000 0.271 249 M C -0.086 175.923 176.300 -0.485 0.000 1.128 249 M CA -0.086 55.023 55.300 -0.319 0.000 0.982 249 M CB -0.121 32.246 32.600 -0.388 0.000 1.445 249 M HN -0.085 nan 8.290 nan 0.000 0.495 250 D N 1.889 122.139 120.400 -0.251 0.000 2.688 250 D HA 0.153 4.793 4.640 0.000 0.000 0.228 250 D C 1.089 177.415 176.300 0.044 0.000 1.116 250 D CA -0.090 53.867 54.000 -0.071 0.000 1.023 250 D CB 0.320 41.154 40.800 0.055 0.000 1.100 250 D HN 0.139 nan 8.370 nan 0.000 0.487 251 V N 1.369 121.314 119.914 0.053 0.000 2.469 251 V HA -0.222 3.899 4.120 0.000 0.000 0.251 251 V C 1.527 177.828 176.094 0.345 0.000 1.064 251 V CA 1.631 64.050 62.300 0.198 0.000 1.066 251 V CB -0.216 31.706 31.823 0.165 0.000 0.667 251 V HN 0.394 nan 8.190 nan 0.000 0.461 252 D N -0.064 120.551 120.400 0.358 0.000 2.347 252 D HA 0.139 4.780 4.640 0.000 0.000 0.213 252 D C 1.700 178.167 176.300 0.279 0.000 0.985 252 D CA 1.040 55.206 54.000 0.275 0.000 0.879 252 D CB -0.025 40.875 40.800 0.167 0.000 0.919 252 D HN 0.520 nan 8.370 nan 0.000 0.526 253 G N 2.100 111.069 108.800 0.281 0.000 2.272 253 G HA2 -0.346 3.615 3.960 0.000 0.000 0.280 253 G HA3 -0.346 3.615 3.960 0.000 0.000 0.280 253 G C 0.767 175.805 174.900 0.229 0.000 1.067 253 G CA 0.536 45.786 45.100 0.250 0.000 0.902 253 G HN 0.518 nan 8.290 nan 0.000 0.500 254 R N -1.638 118.947 120.500 0.143 0.000 2.472 254 R HA 0.498 4.839 4.340 0.000 0.000 0.279 254 R C 0.106 176.389 176.300 -0.029 0.000 0.953 254 R CA -0.160 55.954 56.100 0.023 0.000 1.088 254 R CB 0.648 30.891 30.300 -0.096 0.000 1.197 254 R HN 0.291 nan 8.270 nan 0.000 0.536 255 V N 2.268 122.191 119.914 0.015 0.000 2.435 255 V HA 0.424 4.545 4.120 0.000 0.000 0.290 255 V C -0.136 175.903 176.094 -0.091 0.000 1.030 255 V CA -0.692 61.587 62.300 -0.036 0.000 0.881 255 V CB 1.776 33.613 31.823 0.024 0.000 0.983 255 V HN 0.177 nan 8.190 nan 0.000 0.445 256 I N 5.137 125.626 120.570 -0.135 0.000 2.433 256 I HA 0.598 4.769 4.170 0.000 0.000 0.292 256 I C -0.044 175.964 176.117 -0.181 0.000 1.001 256 I CA -0.512 60.690 61.300 -0.164 0.000 1.119 256 I CB 1.719 39.602 38.000 -0.195 0.000 1.289 256 I HN 0.568 nan 8.210 nan 0.000 0.438 257 R N 5.312 125.694 120.500 -0.197 0.000 2.561 257 R HA 0.816 5.157 4.340 0.000 0.000 0.297 257 R C -1.471 174.659 176.300 -0.284 0.000 0.969 257 R CA -0.540 55.416 56.100 -0.240 0.000 0.879 257 R CB 1.864 32.000 30.300 -0.273 0.000 1.178 257 R HN 0.724 nan 8.270 nan 0.000 0.445 258 A N 4.202 126.838 122.820 -0.306 0.000 2.271 258 A HA 0.396 4.717 4.320 0.000 0.000 0.317 258 A C -0.997 176.310 177.584 -0.462 0.000 1.245 258 A CA -0.669 51.156 52.037 -0.353 0.000 0.857 258 A CB 0.885 19.728 19.000 -0.262 0.000 1.175 258 A HN 0.816 nan 8.150 nan 0.000 0.512 259 D N 0.834 120.801 120.400 -0.721 0.000 2.269 259 D HA 0.568 5.209 4.640 0.000 0.000 0.244 259 D C -0.770 175.114 176.300 -0.693 0.000 0.992 259 D CA 0.056 53.570 54.000 -0.811 0.000 0.894 259 D CB 2.164 42.121 40.800 -1.404 0.000 1.248 259 D HN 0.452 nan 8.370 nan 0.000 0.468 260 S N 0.771 116.230 115.700 -0.402 0.000 2.536 260 S HA 0.388 4.858 4.470 0.000 0.000 0.287 260 S C -0.429 174.132 174.600 -0.064 0.000 1.101 260 S CA -0.555 57.512 58.200 -0.223 0.000 0.950 260 S CB 0.676 63.772 63.200 -0.174 0.000 1.056 260 S HN 0.273 nan 8.310 nan 0.000 0.481 261 F N 2.117 122.178 119.950 0.185 0.000 2.727 261 F HA 0.282 4.809 4.527 0.000 0.000 0.302 261 F C 2.284 178.170 175.800 0.143 0.000 1.097 261 F CA -0.029 58.100 58.000 0.215 0.000 1.330 261 F CB -0.153 38.977 39.000 0.216 0.000 1.084 261 F HN 0.509 nan 8.300 nan 0.000 0.578 262 S N -0.079 115.763 115.700 0.237 0.000 2.402 262 S HA -0.158 4.312 4.470 0.000 0.000 0.229 262 S C 1.932 176.627 174.600 0.159 0.000 1.021 262 S CA 1.227 59.526 58.200 0.165 0.000 0.974 262 S CB -0.048 63.206 63.200 0.089 0.000 0.800 262 S HN 0.234 nan 8.310 nan 0.000 0.484 263 K N 0.975 121.463 120.400 0.146 0.000 2.323 263 K HA 0.273 4.594 4.320 0.000 0.000 0.197 263 K C 1.708 178.433 176.600 0.209 0.000 1.043 263 K CA 0.381 56.752 56.287 0.141 0.000 0.997 263 K CB 0.069 32.608 32.500 0.064 0.000 0.807 263 K HN 0.564 nan 8.250 nan 0.000 0.497 264 I N -4.000 116.736 120.570 0.277 0.000 4.032 264 I HA 0.246 4.417 4.170 0.000 0.000 0.313 264 I C 1.398 177.752 176.117 0.396 0.000 1.272 264 I CA 0.314 61.813 61.300 0.330 0.000 1.307 264 I CB 0.304 38.499 38.000 0.325 0.000 1.155 264 I HN -0.111 nan 8.210 nan 0.000 0.431 265 I N -0.253 120.496 120.570 0.297 0.000 3.570 265 I HA 0.217 4.388 4.170 0.000 0.000 0.270 265 I C 0.486 176.656 176.117 0.088 0.000 1.162 265 I CA 0.252 61.636 61.300 0.140 0.000 1.413 265 I CB 1.042 39.011 38.000 -0.051 0.000 1.437 265 I HN 0.234 nan 8.210 nan 0.000 0.457 266 S N -0.641 115.135 115.700 0.127 0.000 2.596 266 S HA 0.128 4.599 4.470 0.000 0.000 0.305 266 S C 0.420 175.093 174.600 0.122 0.000 1.086 266 S CA -0.072 58.186 58.200 0.097 0.000 0.909 266 S CB 0.869 64.095 63.200 0.043 0.000 1.106 266 S HN 0.236 nan 8.310 nan 0.000 0.450 267 S N 3.326 119.092 115.700 0.109 0.000 2.406 267 S HA 0.136 4.606 4.470 0.000 0.000 0.224 267 S C 1.954 176.604 174.600 0.083 0.000 1.030 267 S CA 0.922 59.184 58.200 0.103 0.000 0.958 267 S CB -0.776 62.485 63.200 0.102 0.000 0.811 267 S HN 1.165 nan 8.310 nan 0.000 0.489 268 G N 1.354 110.194 108.800 0.066 0.000 2.534 268 G HA2 0.136 4.096 3.960 0.000 0.000 0.217 268 G HA3 0.136 4.096 3.960 0.000 0.000 0.217 268 G C 1.271 176.196 174.900 0.042 0.000 1.128 268 G CA 0.212 45.340 45.100 0.047 0.000 0.784 268 G HN 0.487 nan 8.290 nan 0.000 0.542 269 L N -0.731 120.525 121.223 0.055 0.000 2.418 269 L HA 0.142 4.482 4.340 0.000 0.000 0.218 269 L C 0.727 177.641 176.870 0.072 0.000 1.125 269 L CA -0.260 54.615 54.840 0.057 0.000 0.835 269 L CB -0.010 42.084 42.059 0.058 0.000 0.953 269 L HN 0.063 nan 8.230 nan 0.000 0.454 270 R N 1.079 121.629 120.500 0.083 0.000 3.152 270 R HA -0.140 4.201 4.340 0.000 0.000 0.252 270 R C -1.051 175.316 176.300 0.113 0.000 0.930 270 R CA 0.581 56.732 56.100 0.084 0.000 0.642 270 R CB -2.387 27.946 30.300 0.054 0.000 1.205 270 R HN 0.144 nan 8.270 nan 0.000 0.452 271 I N -0.413 120.258 120.570 0.168 0.000 2.478 271 I HA 0.633 4.803 4.170 0.000 0.000 0.287 271 I C 1.080 177.378 176.117 0.302 0.000 1.042 271 I CA -0.406 61.036 61.300 0.237 0.000 1.067 271 I CB 1.942 40.105 38.000 0.272 0.000 1.233 271 I HN 0.361 nan 8.210 nan 0.000 0.431 272 G N 5.385 114.319 108.800 0.223 0.000 2.921 272 G HA2 0.870 4.831 3.960 0.000 0.000 0.291 272 G HA3 0.870 4.831 3.960 0.000 0.000 0.291 272 G C -1.690 173.353 174.900 0.240 0.000 1.370 272 G CA -0.502 44.675 45.100 0.129 0.000 0.847 272 G HN 0.421 nan 8.290 nan 0.000 0.532 273 F N -2.122 117.760 119.950 -0.114 0.000 2.654 273 F HA 0.820 5.347 4.527 0.000 0.000 0.308 273 F C -1.822 173.917 175.800 -0.101 0.000 1.108 273 F CA -1.592 56.361 58.000 -0.077 0.000 0.957 273 F CB 1.685 40.657 39.000 -0.048 0.000 1.309 273 F HN 0.511 nan 8.300 nan 0.000 0.446 274 L N 1.691 122.933 121.223 0.032 0.000 2.346 274 L HA 0.839 5.180 4.340 0.000 0.000 0.276 274 L C -0.738 176.128 176.870 -0.007 0.000 1.006 274 L CA -0.026 54.762 54.840 -0.086 0.000 0.817 274 L CB 2.247 44.254 42.059 -0.086 0.000 1.272 274 L HN 0.884 nan 8.230 nan 0.000 0.421 275 T N 3.203 117.716 114.554 -0.067 0.000 2.848 275 T HA 0.919 5.269 4.350 0.000 0.000 0.285 275 T C -0.162 174.480 174.700 -0.097 0.000 0.995 275 T CA -0.234 61.842 62.100 -0.039 0.000 0.970 275 T CB 1.635 70.493 68.868 -0.016 0.000 0.976 275 T HN 0.949 nan 8.240 nan 0.000 0.441 276 G N 2.801 111.545 108.800 -0.094 0.000 2.348 276 G HA2 0.525 4.485 3.960 0.000 0.000 0.296 276 G HA3 0.525 4.485 3.960 0.000 0.000 0.296 276 G C -3.391 171.430 174.900 -0.132 0.000 1.258 276 G CA -0.893 44.135 45.100 -0.119 0.000 0.868 276 G HN 0.477 nan 8.290 nan 0.000 0.488 277 P HA 0.202 nan 4.420 nan 0.000 0.267 277 P C 0.665 177.813 177.300 -0.253 0.000 1.205 277 P CA -0.037 62.919 63.100 -0.240 0.000 0.765 277 P CB 1.340 32.727 31.700 -0.522 0.000 0.828 278 K N 5.440 125.749 120.400 -0.151 0.000 2.089 278 K HA -0.185 4.136 4.320 0.000 0.000 0.210 278 K C -0.926 175.596 176.600 -0.131 0.000 1.048 278 K CA 2.173 58.396 56.287 -0.106 0.000 0.926 278 K CB -1.352 31.122 32.500 -0.042 0.000 0.714 278 K HN 0.370 nan 8.250 nan 0.000 0.448 279 P HA -0.141 nan 4.420 nan 0.000 0.218 279 P C 1.044 178.250 177.300 -0.157 0.000 1.149 279 P CA 1.156 64.175 63.100 -0.135 0.000 0.817 279 P CB 0.088 31.720 31.700 -0.114 0.000 0.785 280 L N -1.502 119.549 121.223 -0.287 0.000 2.095 280 L HA -0.073 4.267 4.340 0.000 0.000 0.204 280 L C 2.297 179.092 176.870 -0.126 0.000 1.080 280 L CA 0.910 55.629 54.840 -0.201 0.000 0.759 280 L CB -0.788 41.095 42.059 -0.293 0.000 0.914 280 L HN -0.088 nan 8.230 nan 0.000 0.439 281 I N 0.387 120.876 120.570 -0.135 0.000 2.208 281 I HA -0.325 3.845 4.170 0.000 0.000 0.245 281 I C 2.559 178.649 176.117 -0.045 0.000 1.097 281 I CA 1.628 62.879 61.300 -0.082 0.000 1.363 281 I CB -1.004 36.951 38.000 -0.074 0.000 1.051 281 I HN 0.487 nan 8.210 nan 0.000 0.413 282 E N 1.053 121.226 120.200 -0.044 0.000 2.085 282 E HA -0.258 4.092 4.350 0.000 0.000 0.194 282 E C 2.249 178.848 176.600 -0.002 0.000 0.994 282 E CA 1.226 57.616 56.400 -0.017 0.000 0.801 282 E CB 0.109 29.800 29.700 -0.015 0.000 0.743 282 E HN 0.268 nan 8.360 nan 0.000 0.453 283 R N 0.321 120.818 120.500 -0.006 0.000 2.091 283 R HA -0.100 4.240 4.340 0.000 0.000 0.238 283 R C 2.438 178.762 176.300 0.039 0.000 1.136 283 R CA 0.946 57.055 56.100 0.015 0.000 0.959 283 R CB -1.339 28.971 30.300 0.017 0.000 0.856 283 R HN 0.181 nan 8.270 nan 0.000 0.437 284 V N 1.158 121.086 119.914 0.023 0.000 2.307 284 V HA -0.178 3.942 4.120 0.000 0.000 0.245 284 V C 2.346 178.469 176.094 0.049 0.000 1.045 284 V CA 1.567 63.888 62.300 0.036 0.000 1.024 284 V CB -0.428 31.384 31.823 -0.019 0.000 0.651 284 V HN 0.158 nan 8.190 nan 0.000 0.449 285 I N -0.456 120.132 120.570 0.029 0.000 2.264 285 I HA -0.271 3.899 4.170 0.000 0.000 0.248 285 I C 2.265 178.414 176.117 0.054 0.000 1.111 285 I CA 1.596 62.916 61.300 0.035 0.000 1.382 285 I CB -0.251 37.763 38.000 0.023 0.000 1.060 285 I HN 0.259 nan 8.210 nan 0.000 0.418 286 L N -0.685 120.573 121.223 0.057 0.000 2.156 286 L HA -0.216 4.124 4.340 0.000 0.000 0.208 286 L C 2.548 179.482 176.870 0.106 0.000 1.095 286 L CA 1.192 56.067 54.840 0.058 0.000 0.770 286 L CB -0.671 41.408 42.059 0.034 0.000 0.914 286 L HN 0.373 nan 8.230 nan 0.000 0.439 287 H N 0.089 119.160 119.070 0.002 0.000 2.333 287 H HA -0.121 4.435 4.556 0.001 0.000 0.302 287 H C 2.468 177.798 175.328 0.003 0.000 1.075 287 H CA 1.226 57.275 56.048 0.003 0.000 1.348 287 H CB 0.293 30.055 29.762 0.000 0.000 1.393 287 H HN 0.175 nan 8.280 nan 0.000 0.509 288 I N 0.850 121.467 120.570 0.078 0.000 2.194 288 I HA -0.343 3.828 4.170 0.000 0.000 0.246 288 I C 2.677 178.816 176.117 0.036 0.000 1.093 288 I CA 1.597 62.899 61.300 0.003 0.000 1.355 288 I CB -0.286 37.719 38.000 0.009 0.000 1.046 288 I HN 0.455 nan 8.210 nan 0.000 0.413 289 Q N 0.424 120.260 119.800 0.059 0.000 2.181 289 Q HA -0.188 4.153 4.340 0.000 0.000 0.205 289 Q C 1.844 177.870 176.000 0.044 0.000 0.980 289 Q CA 2.005 57.839 55.803 0.051 0.000 0.862 289 Q CB 0.122 28.887 28.738 0.045 0.000 0.905 289 Q HN 0.591 nan 8.270 nan 0.000 0.429 290 V N -2.530 117.426 119.914 0.069 0.000 3.621 290 V HA 0.219 4.339 4.120 0.000 0.000 0.285 290 V C 1.044 177.177 176.094 0.066 0.000 1.346 290 V CA 0.613 62.952 62.300 0.065 0.000 1.104 290 V CB 0.292 32.160 31.823 0.074 0.000 0.913 290 V HN 0.365 nan 8.190 nan 0.000 0.432 291 S N 1.442 117.170 115.700 0.046 0.000 3.128 291 S HA 0.029 4.500 4.470 0.000 0.000 0.171 291 S C 1.761 176.352 174.600 -0.016 0.000 0.707 291 S CA 0.918 59.124 58.200 0.009 0.000 0.851 291 S CB -0.259 62.914 63.200 -0.044 0.000 0.872 291 S HN 0.599 nan 8.310 nan 0.000 0.724 292 T N 0.247 114.778 114.554 -0.039 0.000 3.085 292 T HA 0.349 4.699 4.350 0.000 0.000 0.263 292 T C 1.320 175.970 174.700 -0.083 0.000 1.127 292 T CA 0.776 62.842 62.100 -0.057 0.000 1.103 292 T CB -0.774 68.056 68.868 -0.062 0.000 0.921 292 T HN 0.547 nan 8.240 nan 0.000 0.510 293 L N -0.398 120.807 121.223 -0.031 0.000 2.848 293 L HA -0.250 4.090 4.340 0.000 0.000 0.400 293 L C 0.659 177.588 176.870 0.098 0.000 2.308 293 L CA 2.042 56.890 54.840 0.013 0.000 2.916 293 L CB -1.879 40.184 42.059 0.007 0.000 1.824 293 L HN 0.868 nan 8.230 nan 0.000 0.807 294 H N -2.519 116.589 119.070 0.063 0.000 2.950 294 H HA 0.514 5.070 4.556 0.000 0.000 0.307 294 H C -3.178 172.185 175.328 0.059 0.000 1.403 294 H CA -1.500 54.584 56.048 0.060 0.000 1.145 294 H CB 1.375 31.183 29.762 0.076 0.000 1.844 294 H HN -0.136 nan 8.280 nan 0.000 0.515 295 P HA 0.064 nan 4.420 nan 0.000 0.277 295 P C 0.089 177.531 177.300 0.237 0.000 1.240 295 P CA -0.372 62.813 63.100 0.141 0.000 0.798 295 P CB 0.707 32.488 31.700 0.136 0.000 0.979 296 S N 0.863 116.644 115.700 0.135 0.000 2.673 296 S HA -0.051 4.419 4.470 0.000 0.000 0.308 296 S C 1.219 175.942 174.600 0.204 0.000 1.246 296 S CA 0.392 58.683 58.200 0.152 0.000 1.077 296 S CB -0.670 62.589 63.200 0.097 0.000 0.814 296 S HN 0.436 nan 8.310 nan 0.000 0.503 297 T N 6.337 121.027 114.554 0.226 0.000 2.746 297 T HA -0.113 4.238 4.350 0.000 0.000 0.267 297 T C 1.253 176.001 174.700 0.079 0.000 1.039 297 T CA 1.597 63.760 62.100 0.104 0.000 1.142 297 T CB -0.452 68.436 68.868 0.033 0.000 0.866 297 T HN 0.736 nan 8.240 nan 0.000 0.444 298 F N 2.517 122.457 119.950 -0.016 0.000 2.095 298 F HA -0.132 4.395 4.527 0.000 0.000 0.298 298 F C 1.987 177.832 175.800 0.075 0.000 1.104 298 F CA 1.383 59.395 58.000 0.021 0.000 1.232 298 F CB -0.534 38.474 39.000 0.013 0.000 0.987 298 F HN 0.200 nan 8.300 nan 0.000 0.475 299 N N -0.787 118.113 118.700 0.334 0.000 2.270 299 N HA -0.159 4.582 4.740 0.000 0.000 0.181 299 N C 1.755 177.318 175.510 0.088 0.000 1.016 299 N CA 0.814 53.994 53.050 0.216 0.000 0.870 299 N CB -0.196 38.385 38.487 0.157 0.000 0.979 299 N HN 0.457 nan 8.380 nan 0.000 0.431 300 Q N 0.446 120.288 119.800 0.071 0.000 2.050 300 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 300 Q C 1.802 177.776 176.000 -0.043 0.000 0.980 300 Q CA 0.999 56.815 55.803 0.020 0.000 0.840 300 Q CB 0.010 28.767 28.738 0.031 0.000 0.898 300 Q HN 0.259 nan 8.270 nan 0.000 0.424 301 L N 0.169 121.347 121.223 -0.074 0.000 2.046 301 L HA -0.163 4.177 4.340 0.000 0.000 0.208 301 L C 2.199 179.077 176.870 0.014 0.000 1.077 301 L CA 1.652 56.417 54.840 -0.125 0.000 0.747 301 L CB -0.868 40.951 42.059 -0.401 0.000 0.896 301 L HN 0.340 nan 8.230 nan 0.000 0.432 302 M N -1.281 118.369 119.600 0.084 0.000 2.073 302 M HA -0.278 4.202 4.480 0.000 0.000 0.258 302 M C 2.259 178.453 176.300 -0.177 0.000 1.070 302 M CA 1.936 57.212 55.300 -0.039 0.000 1.103 302 M CB -0.469 32.084 32.600 -0.078 0.000 1.321 302 M HN 0.138 nan 8.290 nan 0.000 0.405 303 I N -0.983 119.473 120.570 -0.190 0.000 2.252 303 I HA -0.251 3.919 4.170 0.000 0.000 0.245 303 I C 2.731 178.627 176.117 -0.368 0.000 1.102 303 I CA 1.035 62.137 61.300 -0.331 0.000 1.385 303 I CB -0.388 37.416 38.000 -0.326 0.000 1.064 303 I HN 0.296 nan 8.210 nan 0.000 0.414 304 S N 0.115 115.675 115.700 -0.234 0.000 2.368 304 S HA -0.230 4.240 4.470 0.000 0.000 0.225 304 S C 2.034 176.546 174.600 -0.147 0.000 1.030 304 S CA 1.489 59.581 58.200 -0.179 0.000 0.999 304 S CB -0.128 63.020 63.200 -0.088 0.000 0.844 304 S HN 0.403 nan 8.310 nan 0.000 0.459 305 Q N 0.020 119.716 119.800 -0.173 0.000 2.030 305 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 305 Q C 2.286 178.121 176.000 -0.276 0.000 0.986 305 Q CA 1.675 57.376 55.803 -0.171 0.000 0.843 305 Q CB -0.461 28.210 28.738 -0.111 0.000 0.904 305 Q HN 0.512 nan 8.270 nan 0.000 0.420 306 L N 0.640 121.603 121.223 -0.433 0.000 1.997 306 L HA -0.252 4.089 4.340 0.000 0.000 0.216 306 L C 2.086 178.497 176.870 -0.764 0.000 1.074 306 L CA 1.639 56.043 54.840 -0.726 0.000 0.763 306 L CB -0.606 40.897 42.059 -0.927 0.000 0.890 306 L HN 0.175 nan 8.230 nan 0.000 0.434 307 L N -0.875 119.918 121.223 -0.717 0.000 2.046 307 L HA -0.215 4.126 4.340 0.000 0.000 0.208 307 L C 2.545 179.057 176.870 -0.597 0.000 1.077 307 L CA 1.850 56.203 54.840 -0.813 0.000 0.747 307 L CB -1.449 39.665 42.059 -1.576 0.000 0.896 307 L HN 0.407 nan 8.230 nan 0.000 0.432 308 H N -0.798 117.965 119.070 -0.511 0.000 2.353 308 H HA -0.104 4.452 4.556 0.000 0.000 0.300 308 H C 2.129 177.462 175.328 0.008 0.000 1.090 308 H CA 1.526 57.487 56.048 -0.146 0.000 1.327 308 H CB 0.233 29.919 29.762 -0.127 0.000 1.383 308 H HN 0.241 nan 8.280 nan 0.000 0.508 309 E N -0.486 119.744 120.200 0.051 0.000 2.107 309 E HA -0.158 4.192 4.350 0.000 0.000 0.191 309 E C 1.939 178.657 176.600 0.196 0.000 0.982 309 E CA 0.471 56.914 56.400 0.072 0.000 0.809 309 E CB -0.325 29.363 29.700 -0.020 0.000 0.756 309 E HN 0.541 nan 8.360 nan 0.000 0.459 310 W N 1.188 122.490 121.300 0.004 0.000 2.355 310 W HA -0.018 4.642 4.660 0.001 0.000 0.309 310 W C 1.545 178.138 176.519 0.124 0.000 1.206 310 W CA 1.726 59.103 57.345 0.053 0.000 1.284 310 W CB -0.985 28.511 29.460 0.059 0.000 1.145 310 W HN 0.192 nan 8.180 nan 0.000 0.502 311 G N -0.041 109.017 108.800 0.430 0.000 2.633 311 G HA2 -0.430 3.530 3.960 0.000 0.000 0.263 311 G HA3 -0.430 3.530 3.960 0.000 0.000 0.263 311 G C 0.774 175.888 174.900 0.356 0.000 1.310 311 G CA 0.660 45.982 45.100 0.370 0.000 0.914 311 G HN 0.291 nan 8.290 nan 0.000 0.569 312 E N 0.048 120.372 120.200 0.208 0.000 2.047 312 E HA -0.126 4.224 4.350 0.000 0.000 0.191 312 E C 2.589 179.275 176.600 0.143 0.000 0.987 312 E CA 1.640 58.135 56.400 0.158 0.000 0.799 312 E CB -0.168 29.573 29.700 0.068 0.000 0.752 312 E HN 0.611 nan 8.360 nan 0.000 0.449 313 E N 0.110 120.369 120.200 0.098 0.000 2.068 313 E HA -0.244 4.106 4.350 0.000 0.000 0.207 313 E C 2.132 178.719 176.600 -0.022 0.000 1.032 313 E CA 1.718 58.146 56.400 0.047 0.000 0.839 313 E CB -1.137 28.594 29.700 0.052 0.000 0.758 313 E HN 0.368 nan 8.360 nan 0.000 0.457 314 G N 0.090 108.871 108.800 -0.031 0.000 2.403 314 G HA2 -0.202 3.759 3.960 0.000 0.000 0.216 314 G HA3 -0.202 3.759 3.960 0.000 0.000 0.216 314 G C 1.445 175.851 174.900 -0.824 0.000 1.154 314 G CA 0.587 45.468 45.100 -0.366 0.000 0.784 314 G HN 0.290 nan 8.290 nan 0.000 0.538 315 F N 1.191 120.835 119.950 -0.510 0.000 2.102 315 F HA 0.001 4.529 4.527 0.001 0.000 0.298 315 F C 2.815 178.424 175.800 -0.319 0.000 1.105 315 F CA 1.663 59.398 58.000 -0.442 0.000 1.239 315 F CB -0.080 38.985 39.000 0.108 0.000 0.991 315 F HN 0.040 nan 8.300 nan 0.000 0.474 316 M N -0.065 119.531 119.600 -0.007 0.000 2.108 316 M HA -0.217 4.263 4.480 0.000 0.000 0.261 316 M C 2.430 178.629 176.300 -0.170 0.000 1.066 316 M CA 1.796 57.072 55.300 -0.039 0.000 1.107 316 M CB -0.795 31.831 32.600 0.044 0.000 1.356 316 M HN 0.319 nan 8.290 nan 0.000 0.406 317 A N -0.797 121.895 122.820 -0.213 0.000 1.930 317 A HA -0.209 4.111 4.320 0.000 0.000 0.217 317 A C 2.026 179.453 177.584 -0.262 0.000 1.175 317 A CA 1.623 53.540 52.037 -0.200 0.000 0.627 317 A CB -1.150 17.746 19.000 -0.174 0.000 0.815 317 A HN 0.597 nan 8.150 nan 0.000 0.443 318 H N 0.410 119.143 119.070 -0.561 0.000 2.299 318 H HA -0.123 4.434 4.556 0.000 0.000 0.302 318 H C 2.197 177.313 175.328 -0.354 0.000 1.078 318 H CA 2.596 58.327 56.048 -0.529 0.000 1.323 318 H CB -0.161 29.031 29.762 -0.950 0.000 1.381 318 H HN 0.371 nan 8.280 nan 0.000 0.498 319 V N -0.303 119.296 119.914 -0.526 0.000 2.407 319 V HA -0.191 3.930 4.120 0.000 0.000 0.248 319 V C 2.057 178.034 176.094 -0.195 0.000 1.055 319 V CA 2.467 64.535 62.300 -0.388 0.000 1.049 319 V CB -0.798 30.801 31.823 -0.372 0.000 0.662 319 V HN 0.285 nan 8.190 nan 0.000 0.455 320 D N 0.525 120.834 120.400 -0.153 0.000 2.116 320 D HA -0.209 4.431 4.640 0.000 0.000 0.193 320 D C 2.360 178.631 176.300 -0.049 0.000 0.998 320 D CA 2.050 56.012 54.000 -0.063 0.000 0.836 320 D CB -0.190 40.581 40.800 -0.048 0.000 0.951 320 D HN 0.485 nan 8.370 nan 0.000 0.449 321 R N -0.247 120.188 120.500 -0.108 0.000 2.081 321 R HA -0.094 4.246 4.340 0.000 0.000 0.235 321 R C 2.537 178.825 176.300 -0.020 0.000 1.131 321 R CA 1.374 57.434 56.100 -0.067 0.000 0.960 321 R CB -0.616 29.622 30.300 -0.102 0.000 0.856 321 R HN 0.289 nan 8.270 nan 0.000 0.436 322 V N 0.502 120.355 119.914 -0.100 0.000 2.358 322 V HA -0.168 3.953 4.120 0.000 0.000 0.246 322 V C 1.971 178.260 176.094 0.325 0.000 1.047 322 V CA 1.515 63.870 62.300 0.092 0.000 1.035 322 V CB -0.337 31.506 31.823 0.034 0.000 0.658 322 V HN 0.213 nan 8.190 nan 0.000 0.452 323 I N 0.846 121.546 120.570 0.216 0.000 2.118 323 I HA -0.253 3.917 4.170 0.000 0.000 0.241 323 I C 2.514 178.803 176.117 0.286 0.000 1.070 323 I CA 2.313 63.791 61.300 0.297 0.000 1.327 323 I CB -0.722 37.392 38.000 0.188 0.000 1.034 323 I HN 0.323 nan 8.210 nan 0.000 0.405 324 D N 0.409 120.909 120.400 0.166 0.000 2.123 324 D HA -0.234 4.406 4.640 0.000 0.000 0.196 324 D C 1.915 178.274 176.300 0.098 0.000 0.992 324 D CA 1.344 55.408 54.000 0.106 0.000 0.833 324 D CB -0.402 40.437 40.800 0.064 0.000 0.954 324 D HN 0.299 nan 8.370 nan 0.000 0.455 325 F N 0.410 120.361 119.950 0.002 0.000 2.075 325 F HA -0.260 4.267 4.527 0.000 0.000 0.297 325 F C 2.111 177.861 175.800 -0.084 0.000 1.113 325 F CA 1.402 59.350 58.000 -0.086 0.000 1.218 325 F CB -0.589 38.295 39.000 -0.194 0.000 0.984 325 F HN -0.061 nan 8.300 nan 0.000 0.472 326 Y N 0.589 120.912 120.300 0.039 0.000 2.293 326 Y HA -0.168 4.382 4.550 0.001 0.000 0.291 326 Y C 2.941 178.689 175.900 -0.254 0.000 1.137 326 Y CA 1.515 59.630 58.100 0.025 0.000 1.202 326 Y CB -0.910 37.812 38.460 0.436 0.000 0.990 326 Y HN 0.222 nan 8.280 nan 0.000 0.537 327 S N -0.838 114.755 115.700 -0.180 0.000 2.414 327 S HA -0.142 4.329 4.470 0.000 0.000 0.227 327 S C 1.600 175.946 174.600 -0.423 0.000 1.022 327 S CA 1.056 58.935 58.200 -0.535 0.000 0.958 327 S CB -0.748 62.252 63.200 -0.332 0.000 0.797 327 S HN 0.532 nan 8.310 nan 0.000 0.493 328 N N 1.529 120.041 118.700 -0.313 0.000 2.043 328 N HA -0.131 4.609 4.740 0.000 0.000 0.193 328 N C 2.031 177.315 175.510 -0.377 0.000 1.037 328 N CA 1.441 54.311 53.050 -0.301 0.000 0.851 328 N CB -0.188 38.153 38.487 -0.244 0.000 1.027 328 N HN 0.342 nan 8.380 nan 0.000 0.422 329 Q N 1.282 120.792 119.800 -0.484 0.000 2.077 329 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 329 Q C 1.970 177.664 176.000 -0.509 0.000 0.989 329 Q CA 1.296 56.863 55.803 -0.393 0.000 0.853 329 Q CB -0.403 28.175 28.738 -0.266 0.000 0.907 329 Q HN 0.416 nan 8.270 nan 0.000 0.418 330 K N 0.644 120.524 120.400 -0.866 0.000 2.063 330 K HA -0.186 4.134 4.320 0.000 0.000 0.208 330 K C 1.360 177.559 176.600 -0.667 0.000 1.048 330 K CA 1.604 57.129 56.287 -1.270 0.000 0.928 330 K CB 0.053 31.705 32.500 -1.413 0.000 0.713 330 K HN 0.071 nan 8.250 nan 0.000 0.442 331 D N 0.473 120.583 120.400 -0.482 0.000 2.117 331 D HA -0.144 4.497 4.640 0.000 0.000 0.197 331 D C 1.794 177.935 176.300 -0.265 0.000 0.987 331 D CA 1.370 55.185 54.000 -0.308 0.000 0.829 331 D CB -0.240 40.417 40.800 -0.237 0.000 0.961 331 D HN 0.367 nan 8.370 nan 0.000 0.460 332 A N 0.853 123.511 122.820 -0.271 0.000 1.902 332 A HA -0.131 4.189 4.320 0.000 0.000 0.217 332 A C 2.313 179.748 177.584 -0.249 0.000 1.181 332 A CA 0.866 52.773 52.037 -0.216 0.000 0.623 332 A CB -0.720 18.175 19.000 -0.174 0.000 0.818 332 A HN 0.276 nan 8.150 nan 0.000 0.443 333 I N -1.129 119.263 120.570 -0.298 0.000 2.546 333 I HA -0.140 4.030 4.170 0.000 0.000 0.255 333 I C 1.922 177.756 176.117 -0.472 0.000 1.163 333 I CA 0.661 61.758 61.300 -0.338 0.000 1.457 333 I CB 0.043 37.959 38.000 -0.141 0.000 1.092 333 I HN 0.205 nan 8.210 nan 0.000 0.434 334 L N 0.841 121.852 121.223 -0.352 0.000 2.072 334 L HA -0.062 4.278 4.340 0.000 0.000 0.205 334 L C 2.719 179.464 176.870 -0.208 0.000 1.079 334 L CA 2.037 56.727 54.840 -0.250 0.000 0.752 334 L CB -1.537 40.443 42.059 -0.132 0.000 0.906 334 L HN 0.229 nan 8.230 nan 0.000 0.436 335 A N -0.681 122.019 122.820 -0.200 0.000 1.908 335 A HA -0.187 4.133 4.320 0.000 0.000 0.218 335 A C 2.440 179.906 177.584 -0.196 0.000 1.181 335 A CA 1.976 53.919 52.037 -0.157 0.000 0.627 335 A CB -0.783 18.137 19.000 -0.134 0.000 0.818 335 A HN 0.408 nan 8.150 nan 0.000 0.445 336 A N -0.585 122.046 122.820 -0.316 0.000 1.930 336 A HA 0.319 4.640 4.320 0.000 0.000 0.215 336 A C 2.454 179.751 177.584 -0.478 0.000 1.176 336 A CA 1.650 53.489 52.037 -0.329 0.000 0.632 336 A CB -0.829 17.901 19.000 -0.450 0.000 0.819 336 A HN 0.960 nan 8.150 nan 0.000 0.445 337 A N 0.378 122.718 122.820 -0.800 0.000 1.873 337 A HA -0.160 4.160 4.320 0.000 0.000 0.215 337 A C 1.754 179.207 177.584 -0.218 0.000 1.186 337 A CA 1.793 53.382 52.037 -0.746 0.000 0.616 337 A CB -0.618 17.609 19.000 -1.288 0.000 0.823 337 A HN 0.422 nan 8.150 nan 0.000 0.442 338 D N -0.297 120.105 120.400 0.003 0.000 2.133 338 D HA -0.202 4.439 4.640 0.000 0.000 0.192 338 D C 1.862 178.170 176.300 0.014 0.000 1.001 338 D CA 1.769 55.865 54.000 0.160 0.000 0.844 338 D CB -0.266 40.586 40.800 0.087 0.000 0.944 338 D HN 0.592 nan 8.370 nan 0.000 0.447 339 K N -0.815 119.510 120.400 -0.126 0.000 2.026 339 K HA -0.150 4.170 4.320 0.000 0.000 0.208 339 K C 1.910 178.247 176.600 -0.440 0.000 1.048 339 K CA 1.287 57.359 56.287 -0.358 0.000 0.929 339 K CB -0.071 32.121 32.500 -0.514 0.000 0.713 339 K HN 0.200 nan 8.250 nan 0.000 0.439 340 W N -0.871 120.445 121.300 0.026 0.000 2.808 340 W HA 0.153 4.813 4.660 0.000 0.000 0.266 340 W C 0.990 177.571 176.519 0.104 0.000 1.247 340 W CA -0.549 56.839 57.345 0.070 0.000 1.440 340 W CB 0.454 29.979 29.460 0.108 0.000 1.040 340 W HN 0.013 nan 8.180 nan 0.000 0.606 341 L N 0.027 121.439 121.223 0.314 0.000 2.766 341 L HA 0.245 4.586 4.340 0.000 0.000 0.242 341 L C 0.560 177.655 176.870 0.376 0.000 1.136 341 L CA 0.423 55.455 54.840 0.320 0.000 0.933 341 L CB -0.991 41.228 42.059 0.268 0.000 1.241 341 L HN -0.336 nan 8.230 nan 0.000 0.522 342 T N 0.419 115.157 114.554 0.306 0.000 2.871 342 T HA 0.334 4.684 4.350 0.000 0.000 0.296 342 T C 1.351 176.126 174.700 0.125 0.000 0.998 342 T CA 1.069 63.298 62.100 0.214 0.000 1.162 342 T CB 0.377 69.319 68.868 0.123 0.000 0.947 342 T HN 0.582 nan 8.240 nan 0.000 0.536 343 G N 2.665 111.512 108.800 0.078 0.000 2.212 343 G HA2 -0.262 3.698 3.960 0.000 0.000 0.266 343 G HA3 -0.262 3.698 3.960 0.000 0.000 0.266 343 G C 0.744 175.680 174.900 0.061 0.000 0.978 343 G CA 0.468 45.594 45.100 0.044 0.000 0.632 343 G HN 0.672 nan 8.290 nan 0.000 0.537 344 L N -0.431 120.859 121.223 0.112 0.000 2.609 344 L HA 0.672 5.012 4.340 0.000 0.000 0.230 344 L C 1.197 178.129 176.870 0.103 0.000 1.087 344 L CA 0.800 55.700 54.840 0.099 0.000 0.874 344 L CB 0.271 42.401 42.059 0.118 0.000 1.114 344 L HN 0.610 nan 8.230 nan 0.000 0.488 345 A N 0.569 123.496 122.820 0.178 0.000 2.609 345 A HA 0.640 4.960 4.320 0.000 0.000 0.291 345 A C -1.437 176.279 177.584 0.220 0.000 1.096 345 A CA -0.563 51.596 52.037 0.203 0.000 0.684 345 A CB 1.322 20.493 19.000 0.286 0.000 1.282 345 A HN 0.134 nan 8.150 nan 0.000 0.412 346 E N -0.024 120.257 120.200 0.134 0.000 2.238 346 E HA 0.705 5.056 4.350 0.000 0.000 0.267 346 E C -1.198 175.494 176.600 0.153 0.000 0.887 346 E CA -0.678 55.696 56.400 -0.043 0.000 0.769 346 E CB 1.724 31.329 29.700 -0.159 0.000 1.187 346 E HN 0.935 nan 8.360 nan 0.000 0.416 347 W N 0.702 121.937 121.300 -0.107 0.000 3.217 347 W HA 0.466 5.126 4.660 0.000 0.000 0.323 347 W C -1.309 175.103 176.519 -0.178 0.000 1.216 347 W CA -0.815 56.497 57.345 -0.054 0.000 1.194 347 W CB 0.699 30.211 29.460 0.086 0.000 1.397 347 W HN 0.397 nan 8.180 nan 0.000 0.537 348 H N 1.128 120.389 119.070 0.318 0.000 2.483 348 H HA 0.422 4.978 4.556 0.000 0.000 0.338 348 H C -0.208 175.312 175.328 0.320 0.000 1.152 348 H CA -0.845 55.331 56.048 0.215 0.000 1.264 348 H CB 2.175 32.050 29.762 0.188 0.000 1.510 348 H HN 0.302 nan 8.280 nan 0.000 0.530 349 V N 5.250 125.373 119.914 0.347 0.000 2.485 349 V HA 0.008 4.128 4.120 0.000 0.000 0.287 349 V C -1.666 174.588 176.094 0.267 0.000 1.022 349 V CA -0.992 61.471 62.300 0.272 0.000 1.067 349 V CB 0.009 31.936 31.823 0.173 0.000 0.967 349 V HN 0.601 nan 8.190 nan 0.000 0.479 350 P HA 0.228 nan 4.420 nan 0.000 0.271 350 P C 0.227 177.739 177.300 0.353 0.000 1.216 350 P CA -0.293 63.000 63.100 0.321 0.000 0.776 350 P CB 1.294 33.255 31.700 0.435 0.000 0.881 351 A N 1.841 124.795 122.820 0.225 0.000 2.195 351 A HA 0.526 4.846 4.320 0.000 0.000 0.210 351 A C 0.859 178.357 177.584 -0.143 0.000 1.165 351 A CA 1.120 53.248 52.037 0.151 0.000 0.806 351 A CB -0.242 18.787 19.000 0.048 0.000 0.847 351 A HN 0.764 nan 8.150 nan 0.000 0.482 352 A N -3.396 119.259 122.820 -0.273 0.000 2.540 352 A HA 0.656 4.976 4.320 0.000 0.000 0.291 352 A C 0.488 177.839 177.584 -0.388 0.000 1.083 352 A CA 0.085 51.650 52.037 -0.787 0.000 0.650 352 A CB -0.377 18.363 19.000 -0.435 0.000 1.292 352 A HN 2.084 nan 8.150 nan 0.000 0.435 353 G N -0.657 107.861 108.800 -0.471 0.000 2.527 353 G HA2 0.157 4.117 3.960 0.000 0.000 0.227 353 G HA3 0.157 4.117 3.960 0.000 0.000 0.227 353 G C 0.421 175.064 174.900 -0.428 0.000 1.291 353 G CA 0.925 45.651 45.100 -0.623 0.000 0.904 353 G HN 2.339 nan 8.290 nan 0.000 0.577 354 M N -2.110 116.927 119.600 -0.939 0.000 2.414 354 M HA 0.624 5.105 4.480 0.000 0.000 0.393 354 M C -0.572 174.624 176.300 -1.840 0.000 1.055 354 M CA -0.118 54.241 55.300 -1.568 0.000 0.937 354 M CB 0.719 32.581 32.600 -1.231 0.000 1.631 354 M HN 0.297 nan 8.290 nan 0.000 0.567 355 F N 1.658 121.344 119.950 -0.439 0.000 2.532 355 F HA 0.712 5.240 4.527 0.000 0.000 0.321 355 F C -0.726 175.266 175.800 0.319 0.000 1.089 355 F CA -1.257 56.701 58.000 -0.069 0.000 0.926 355 F CB 1.738 40.678 39.000 -0.101 0.000 1.168 355 F HN -0.067 nan 8.300 nan 0.000 0.459 356 L N 3.787 125.352 121.223 0.570 0.000 2.307 356 L HA 0.425 4.765 4.340 0.000 0.000 0.284 356 L C -1.297 175.880 176.870 0.512 0.000 1.023 356 L CA -0.704 54.436 54.840 0.499 0.000 0.810 356 L CB 1.174 43.469 42.059 0.393 0.000 1.231 356 L HN 0.752 nan 8.230 nan 0.000 0.423 357 W N 8.104 129.567 121.300 0.272 0.000 2.417 357 W HA 0.548 5.208 4.660 0.001 0.000 0.315 357 W C -1.592 175.143 176.519 0.361 0.000 1.045 357 W CA -0.872 56.622 57.345 0.247 0.000 1.221 357 W CB 1.371 30.930 29.460 0.166 0.000 1.309 357 W HN 0.380 nan 8.180 nan 0.000 0.453 358 I N 6.211 126.841 120.570 0.101 0.000 2.389 358 I HA 0.212 4.382 4.170 0.000 0.000 0.288 358 I C -0.044 176.011 176.117 -0.104 0.000 0.999 358 I CA -0.754 60.610 61.300 0.106 0.000 1.129 358 I CB 2.046 40.096 38.000 0.083 0.000 1.288 358 I HN 0.263 nan 8.210 nan 0.000 0.444 359 K N 6.147 126.472 120.400 -0.125 0.000 2.253 359 K HA 0.478 4.798 4.320 0.000 0.000 0.277 359 K C -0.935 175.516 176.600 -0.250 0.000 1.053 359 K CA -0.495 55.483 56.287 -0.516 0.000 0.892 359 K CB 1.174 33.293 32.500 -0.636 0.000 1.102 359 K HN 0.390 nan 8.250 nan 0.000 0.469 360 V N 5.022 124.784 119.914 -0.253 0.000 2.583 360 V HA 0.123 4.243 4.120 0.000 0.000 0.287 360 V C 0.161 176.181 176.094 -0.123 0.000 1.051 360 V CA -0.330 61.896 62.300 -0.123 0.000 1.010 360 V CB 1.072 32.834 31.823 -0.102 0.000 0.988 360 V HN 0.750 nan 8.190 nan 0.000 0.478 361 K N 2.783 123.145 120.400 -0.062 0.000 2.174 361 K HA 0.552 4.872 4.320 0.000 0.000 0.275 361 K C 1.149 177.721 176.600 -0.047 0.000 1.015 361 K CA 0.393 56.644 56.287 -0.059 0.000 0.933 361 K CB 1.206 33.688 32.500 -0.030 0.000 1.025 361 K HN 0.989 nan 8.250 nan 0.000 0.463 362 G N 1.811 110.583 108.800 -0.047 0.000 2.205 362 G HA2 -0.274 3.686 3.960 0.000 0.000 0.261 362 G HA3 -0.274 3.686 3.960 0.000 0.000 0.261 362 G C 0.044 174.922 174.900 -0.037 0.000 0.980 362 G CA 0.008 45.088 45.100 -0.034 0.000 0.632 362 G HN 0.505 nan 8.290 nan 0.000 0.533 363 I N 0.389 120.927 120.570 -0.052 0.000 2.474 363 I HA 0.396 4.566 4.170 0.000 0.000 0.294 363 I C 0.931 177.011 176.117 -0.062 0.000 1.005 363 I CA -1.009 60.261 61.300 -0.050 0.000 1.113 363 I CB 1.874 39.845 38.000 -0.048 0.000 1.289 363 I HN 0.013 nan 8.210 nan 0.000 0.436 364 N N 2.106 120.778 118.700 -0.047 0.000 2.368 364 N HA -0.012 4.729 4.740 0.000 0.000 0.176 364 N C -0.541 174.942 175.510 -0.045 0.000 1.021 364 N CA 0.502 53.525 53.050 -0.045 0.000 0.888 364 N CB 0.233 38.700 38.487 -0.032 0.000 0.995 364 N HN 0.609 nan 8.380 nan 0.000 0.437 365 D N -1.027 119.350 120.400 -0.038 0.000 2.970 365 D HA 0.149 4.789 4.640 0.000 0.000 0.230 365 D C 0.282 176.566 176.300 -0.027 0.000 1.276 365 D CA -0.614 53.369 54.000 -0.029 0.000 0.910 365 D CB 1.681 42.469 40.800 -0.020 0.000 1.590 365 D HN -0.103 nan 8.370 nan 0.000 0.551 366 V N 1.742 121.642 119.914 -0.024 0.000 3.608 366 V HA 0.197 4.317 4.120 0.000 0.000 0.269 366 V C 1.967 178.055 176.094 -0.010 0.000 1.245 366 V CA 0.341 62.626 62.300 -0.025 0.000 1.138 366 V CB -0.291 31.509 31.823 -0.038 0.000 0.841 366 V HN 0.507 nan 8.190 nan 0.000 0.451 367 K N 0.890 121.291 120.400 0.002 0.000 2.103 367 K HA -0.226 4.094 4.320 0.000 0.000 0.207 367 K C 2.250 178.849 176.600 -0.002 0.000 1.048 367 K CA 1.911 58.203 56.287 0.008 0.000 0.930 367 K CB -0.130 32.377 32.500 0.012 0.000 0.716 367 K HN 0.664 nan 8.250 nan 0.000 0.444 368 E N 0.762 120.957 120.200 -0.008 0.000 2.049 368 E HA -0.250 4.101 4.350 0.000 0.000 0.198 368 E C 2.060 178.652 176.600 -0.013 0.000 1.007 368 E CA 1.462 57.856 56.400 -0.010 0.000 0.809 368 E CB -0.128 29.564 29.700 -0.012 0.000 0.749 368 E HN 0.356 nan 8.360 nan 0.000 0.450 369 L N 0.368 121.581 121.223 -0.017 0.000 2.093 369 L HA -0.138 4.202 4.340 0.000 0.000 0.208 369 L C 2.356 179.210 176.870 -0.026 0.000 1.085 369 L CA 0.733 55.559 54.840 -0.024 0.000 0.755 369 L CB -0.067 41.975 42.059 -0.029 0.000 0.904 369 L HN 0.241 nan 8.230 nan 0.000 0.435 370 I N 0.003 120.561 120.570 -0.021 0.000 2.499 370 I HA -0.139 4.031 4.170 0.000 0.000 0.243 370 I C 2.185 178.296 176.117 -0.010 0.000 1.085 370 I CA 1.283 62.571 61.300 -0.020 0.000 1.422 370 I CB -0.544 37.447 38.000 -0.015 0.000 1.165 370 I HN 0.278 nan 8.210 nan 0.000 0.440 371 E N 0.212 120.411 120.200 -0.001 0.000 2.396 371 E HA -0.222 4.128 4.350 0.000 0.000 0.200 371 E C 1.441 178.038 176.600 -0.004 0.000 1.023 371 E CA 1.031 57.432 56.400 0.002 0.000 0.857 371 E CB 0.309 30.011 29.700 0.005 0.000 0.775 371 E HN 0.573 nan 8.360 nan 0.000 0.525 372 E N -0.883 119.312 120.200 -0.008 0.000 2.756 372 E HA 0.063 4.413 4.350 0.000 0.000 0.192 372 E C 1.699 178.291 176.600 -0.014 0.000 1.022 372 E CA -0.204 56.190 56.400 -0.010 0.000 1.224 372 E CB 0.324 30.019 29.700 -0.009 0.000 1.252 372 E HN -0.064 nan 8.360 nan 0.000 0.494 373 K N 1.194 121.583 120.400 -0.018 0.000 2.025 373 K HA -0.021 4.299 4.320 0.000 0.000 0.207 373 K C 2.175 178.758 176.600 -0.028 0.000 1.049 373 K CA 1.175 57.449 56.287 -0.022 0.000 0.933 373 K CB -0.111 32.375 32.500 -0.023 0.000 0.714 373 K HN 0.023 nan 8.250 nan 0.000 0.438 374 A N 1.599 124.398 122.820 -0.034 0.000 1.933 374 A HA -0.134 4.186 4.320 0.000 0.000 0.218 374 A C 2.415 179.977 177.584 -0.036 0.000 1.175 374 A CA 1.823 53.833 52.037 -0.044 0.000 0.628 374 A CB -0.870 18.097 19.000 -0.055 0.000 0.814 374 A HN 0.227 nan 8.150 nan 0.000 0.444 375 V N -1.945 117.954 119.914 -0.024 0.000 2.626 375 V HA -0.200 3.920 4.120 0.000 0.000 0.252 375 V C 1.903 177.988 176.094 -0.016 0.000 1.067 375 V CA 2.182 64.472 62.300 -0.017 0.000 1.081 375 V CB -0.920 30.898 31.823 -0.008 0.000 0.686 375 V HN 0.526 nan 8.190 nan 0.000 0.468 376 K N 0.390 120.779 120.400 -0.018 0.000 2.147 376 K HA 0.039 4.359 4.320 0.000 0.000 0.205 376 K C 1.935 178.522 176.600 -0.021 0.000 1.049 376 K CA 1.630 57.907 56.287 -0.017 0.000 0.936 376 K CB -0.318 32.172 32.500 -0.016 0.000 0.722 376 K HN 0.392 nan 8.250 nan 0.000 0.446 377 M N -0.186 119.396 119.600 -0.029 0.000 2.628 377 M HA 0.126 4.606 4.480 0.000 0.000 0.232 377 M C 0.713 176.991 176.300 -0.037 0.000 1.128 377 M CA 0.589 55.867 55.300 -0.038 0.000 1.040 377 M CB -0.214 32.355 32.600 -0.052 0.000 1.608 377 M HN 0.410 nan 8.290 nan 0.000 0.507 378 G N 1.775 110.559 108.800 -0.028 0.000 2.221 378 G HA2 -0.172 3.789 3.960 0.000 0.000 0.265 378 G HA3 -0.172 3.789 3.960 0.000 0.000 0.265 378 G C -0.152 174.732 174.900 -0.026 0.000 1.041 378 G CA 0.434 45.521 45.100 -0.022 0.000 0.807 378 G HN 0.524 nan 8.290 nan 0.000 0.502 379 V N -0.031 119.862 119.914 -0.035 0.000 2.851 379 V HA 0.844 4.964 4.120 0.000 0.000 0.307 379 V C -1.298 174.773 176.094 -0.038 0.000 1.129 379 V CA -0.720 61.555 62.300 -0.041 0.000 0.932 379 V CB 1.919 33.699 31.823 -0.072 0.000 1.024 379 V HN 1.287 nan 8.190 nan 0.000 0.426 380 L N 4.251 125.461 121.223 -0.023 0.000 2.455 380 L HA 0.827 5.167 4.340 0.000 0.000 0.264 380 L C -0.601 176.269 176.870 -0.001 0.000 0.968 380 L CA -1.085 53.747 54.840 -0.013 0.000 0.827 380 L CB 1.046 43.110 42.059 0.009 0.000 1.317 380 L HN 0.759 nan 8.230 nan 0.000 0.407 381 M N 2.306 121.901 119.600 -0.008 0.000 2.861 381 M HA 0.718 5.198 4.480 0.000 0.000 0.294 381 M C -1.056 175.289 176.300 0.075 0.000 1.185 381 M CA -0.833 54.486 55.300 0.032 0.000 0.809 381 M CB 2.084 34.669 32.600 -0.025 0.000 1.722 381 M HN 0.607 nan 8.290 nan 0.000 0.496 382 L N 3.201 124.509 121.223 0.142 0.000 2.313 382 L HA 0.612 4.953 4.340 0.000 0.000 0.283 382 L C -2.465 174.543 176.870 0.230 0.000 1.013 382 L CA -1.761 53.191 54.840 0.187 0.000 0.816 382 L CB 1.258 43.475 42.059 0.263 0.000 1.236 382 L HN 0.284 nan 8.230 nan 0.000 0.419 383 P HA 0.129 nan 4.420 nan 0.000 0.271 383 P C 0.378 177.887 177.300 0.348 0.000 1.218 383 P CA -0.130 63.084 63.100 0.189 0.000 0.780 383 P CB 0.867 32.632 31.700 0.110 0.000 0.901 384 G N 2.496 111.547 108.800 0.420 0.000 2.650 384 G HA2 -0.189 3.772 3.960 0.000 0.000 0.214 384 G HA3 -0.189 3.772 3.960 0.000 0.000 0.214 384 G C 1.101 176.462 174.900 0.768 0.000 1.136 384 G CA 0.146 45.735 45.100 0.816 0.000 0.789 384 G HN 0.459 nan 8.290 nan 0.000 0.536 385 N N 1.833 120.770 118.700 0.395 0.000 2.094 385 N HA -0.134 4.607 4.740 0.000 0.000 0.191 385 N C 2.290 177.927 175.510 0.210 0.000 1.023 385 N CA 1.454 54.669 53.050 0.274 0.000 0.857 385 N CB -0.366 38.181 38.487 0.099 0.000 1.013 385 N HN 0.294 nan 8.380 nan 0.000 0.426 386 A N -0.140 122.647 122.820 -0.055 0.000 2.131 386 A HA -0.083 4.237 4.320 0.000 0.000 0.220 386 A C 0.984 178.251 177.584 -0.529 0.000 1.158 386 A CA 1.005 52.806 52.037 -0.394 0.000 0.665 386 A CB -0.811 17.768 19.000 -0.701 0.000 0.795 386 A HN 0.359 nan 8.150 nan 0.000 0.460 387 F N -2.311 117.697 119.950 0.096 0.000 2.639 387 F HA 0.322 4.849 4.527 0.000 0.000 0.300 387 F C -0.080 175.501 175.800 -0.366 0.000 1.109 387 F CA -0.385 57.517 58.000 -0.163 0.000 1.335 387 F CB -0.109 38.715 39.000 -0.293 0.000 1.014 387 F HN 0.109 nan 8.300 nan 0.000 0.537 388 Y N -1.760 118.590 120.300 0.083 0.000 2.509 388 Y HA 0.358 4.909 4.550 0.000 0.000 0.341 388 Y C 1.050 176.944 175.900 -0.010 0.000 1.038 388 Y CA -1.056 57.078 58.100 0.055 0.000 1.089 388 Y CB 1.328 39.836 38.460 0.079 0.000 1.241 388 Y HN -0.311 nan 8.280 nan 0.000 0.468 389 V N 0.114 120.109 119.914 0.136 0.000 2.343 389 V HA -0.227 3.893 4.120 0.000 0.000 0.247 389 V C 0.472 176.584 176.094 0.030 0.000 1.051 389 V CA 2.041 64.367 62.300 0.043 0.000 1.036 389 V CB -0.287 31.555 31.823 0.032 0.000 0.654 389 V HN 0.723 nan 8.190 nan 0.000 0.451 390 D N -0.308 120.138 120.400 0.077 0.000 2.479 390 D HA 0.129 4.770 4.640 0.000 0.000 0.218 390 D C 1.218 177.546 176.300 0.046 0.000 1.131 390 D CA 0.368 54.387 54.000 0.032 0.000 0.916 390 D CB 0.843 41.657 40.800 0.022 0.000 1.022 390 D HN 0.323 nan 8.370 nan 0.000 0.515 391 S N 1.114 116.827 115.700 0.021 0.000 2.603 391 S HA -0.129 4.341 4.470 0.000 0.000 0.229 391 S C 1.707 176.305 174.600 -0.002 0.000 0.972 391 S CA 0.483 58.699 58.200 0.026 0.000 0.935 391 S CB -0.233 62.956 63.200 -0.018 0.000 0.769 391 S HN 0.361 nan 8.310 nan 0.000 0.536 392 S N 1.174 116.864 115.700 -0.016 0.000 2.501 392 S HA 0.471 4.941 4.470 0.000 0.000 0.220 392 S C 0.863 175.448 174.600 -0.026 0.000 0.997 392 S CA 0.004 58.191 58.200 -0.021 0.000 0.919 392 S CB -0.417 62.769 63.200 -0.023 0.000 0.778 392 S HN 0.686 nan 8.310 nan 0.000 0.523 393 A N 3.784 126.581 122.820 -0.037 0.000 2.462 393 A HA 0.522 4.842 4.320 0.000 0.000 0.243 393 A C -2.055 175.487 177.584 -0.070 0.000 1.076 393 A CA -1.337 50.663 52.037 -0.061 0.000 0.773 393 A CB -0.290 18.653 19.000 -0.096 0.000 1.010 393 A HN 0.466 nan 8.150 nan 0.000 0.493 394 P HA 0.193 nan 4.420 nan 0.000 0.271 394 P C -0.474 176.791 177.300 -0.059 0.000 1.218 394 P CA 0.008 63.081 63.100 -0.044 0.000 0.780 394 P CB 1.255 32.934 31.700 -0.035 0.000 0.901 395 S N 2.308 117.997 115.700 -0.018 0.000 2.614 395 S HA 0.490 4.960 4.470 0.000 0.000 0.288 395 S C -2.252 172.359 174.600 0.018 0.000 1.137 395 S CA -1.741 56.477 58.200 0.029 0.000 0.992 395 S CB 1.533 64.803 63.200 0.117 0.000 1.026 395 S HN 0.249 nan 8.310 nan 0.000 0.486 396 P HA 0.177 nan 4.420 nan 0.000 0.253 396 P C -0.691 176.429 177.300 -0.299 0.000 1.260 396 P CA 0.061 63.048 63.100 -0.188 0.000 0.800 396 P CB -0.313 31.220 31.700 -0.278 0.000 1.162 397 Y N -0.067 120.113 120.300 -0.200 0.000 2.419 397 Y HA 0.498 5.048 4.550 0.001 0.000 0.328 397 Y C 0.809 176.490 175.900 -0.364 0.000 1.162 397 Y CA -0.773 57.037 58.100 -0.483 0.000 1.174 397 Y CB 1.307 39.134 38.460 -1.056 0.000 1.228 397 Y HN -0.288 nan 8.280 nan 0.000 0.473 398 L N 2.675 123.767 121.223 -0.218 0.000 2.408 398 L HA 0.557 4.897 4.340 0.000 0.000 0.268 398 L C -0.547 176.383 176.870 0.100 0.000 0.986 398 L CA -0.892 53.936 54.840 -0.020 0.000 0.820 398 L CB 2.236 44.276 42.059 -0.033 0.000 1.303 398 L HN 0.519 nan 8.230 nan 0.000 0.411 399 R N 2.200 122.883 120.500 0.305 0.000 2.346 399 R HA 0.783 5.123 4.340 0.000 0.000 0.311 399 R C -1.020 175.445 176.300 0.274 0.000 0.983 399 R CA -0.382 55.946 56.100 0.380 0.000 0.880 399 R CB 1.560 32.027 30.300 0.278 0.000 1.100 399 R HN 0.725 nan 8.270 nan 0.000 0.453 400 A N 3.168 126.175 122.820 0.311 0.000 2.319 400 A HA 0.297 4.618 4.320 0.000 0.000 0.310 400 A C -0.553 177.257 177.584 0.378 0.000 1.152 400 A CA -0.540 51.666 52.037 0.282 0.000 0.783 400 A CB 1.624 20.764 19.000 0.232 0.000 1.184 400 A HN 0.681 nan 8.150 nan 0.000 0.474 401 S N 1.597 117.497 115.700 0.334 0.000 2.545 401 S HA 0.498 4.969 4.470 0.000 0.000 0.275 401 S C 0.149 174.825 174.600 0.128 0.000 1.299 401 S CA -0.352 57.952 58.200 0.173 0.000 1.048 401 S CB -0.127 63.168 63.200 0.158 0.000 0.938 401 S HN 1.099 nan 8.310 nan 0.000 0.496 402 F N 2.545 122.530 119.950 0.059 0.000 2.708 402 F HA 0.357 4.884 4.527 0.001 0.000 0.300 402 F C 1.481 177.312 175.800 0.051 0.000 1.118 402 F CA -0.358 57.666 58.000 0.040 0.000 1.307 402 F CB -0.822 38.169 39.000 -0.015 0.000 0.986 402 F HN 0.526 nan 8.300 nan 0.000 0.522 403 S N -0.939 114.762 115.700 0.002 0.000 2.428 403 S HA -0.057 4.413 4.470 0.000 0.000 0.230 403 S C 1.454 176.194 174.600 0.234 0.000 1.014 403 S CA 1.172 59.490 58.200 0.196 0.000 0.957 403 S CB -0.419 62.902 63.200 0.201 0.000 0.784 403 S HN 0.365 nan 8.310 nan 0.000 0.499 404 S N 0.837 116.643 115.700 0.176 0.000 2.818 404 S HA 0.578 5.048 4.470 0.000 0.000 0.251 404 S C 0.806 175.493 174.600 0.144 0.000 1.083 404 S CA 0.028 58.332 58.200 0.174 0.000 0.871 404 S CB -0.112 63.167 63.200 0.131 0.000 0.831 404 S HN 0.718 nan 8.310 nan 0.000 0.470 405 A N 3.053 125.948 122.820 0.125 0.000 2.498 405 A HA 0.506 4.827 4.320 0.000 0.000 0.239 405 A C 0.690 178.323 177.584 0.082 0.000 1.068 405 A CA -0.143 51.955 52.037 0.103 0.000 0.766 405 A CB -0.041 19.028 19.000 0.115 0.000 1.003 405 A HN 0.510 nan 8.150 nan 0.000 0.497 406 S N 2.450 118.190 115.700 0.066 0.000 2.603 406 S HA 0.378 4.848 4.470 0.000 0.000 0.268 406 S C -1.810 172.808 174.600 0.030 0.000 1.317 406 S CA -0.842 57.385 58.200 0.045 0.000 1.012 406 S CB 0.628 63.854 63.200 0.043 0.000 0.926 406 S HN 0.447 nan 8.310 nan 0.000 0.539 407 P HA -0.206 nan 4.420 nan 0.000 0.222 407 P C 1.086 178.398 177.300 0.020 0.000 1.157 407 P CA 1.734 64.831 63.100 -0.006 0.000 0.905 407 P CB -0.002 31.688 31.700 -0.018 0.000 0.792 408 E N -1.006 119.211 120.200 0.028 0.000 2.072 408 E HA -0.168 4.183 4.350 0.000 0.000 0.191 408 E C 2.169 178.795 176.600 0.042 0.000 0.985 408 E CA 1.170 57.592 56.400 0.037 0.000 0.801 408 E CB -0.725 28.994 29.700 0.031 0.000 0.750 408 E HN 0.406 nan 8.360 nan 0.000 0.452 409 Q N -0.482 119.345 119.800 0.045 0.000 2.119 409 Q HA -0.033 4.308 4.340 0.000 0.000 0.201 409 Q C 2.120 178.168 176.000 0.079 0.000 0.972 409 Q CA 1.160 56.993 55.803 0.050 0.000 0.847 409 Q CB -0.087 28.683 28.738 0.054 0.000 0.903 409 Q HN 0.318 nan 8.270 nan 0.000 0.433 410 M N 0.263 119.924 119.600 0.103 0.000 2.117 410 M HA -0.185 4.295 4.480 0.000 0.000 0.262 410 M C 1.702 178.130 176.300 0.213 0.000 1.065 410 M CA 1.534 56.946 55.300 0.187 0.000 1.114 410 M CB -0.260 32.399 32.600 0.099 0.000 1.361 410 M HN 0.156 nan 8.290 nan 0.000 0.408 411 D N 0.234 120.702 120.400 0.113 0.000 2.104 411 D HA -0.152 4.488 4.640 0.000 0.000 0.194 411 D C 1.708 177.972 176.300 -0.060 0.000 0.994 411 D CA 1.510 55.587 54.000 0.130 0.000 0.830 411 D CB 0.124 41.028 40.800 0.173 0.000 0.959 411 D HN 0.101 nan 8.370 nan 0.000 0.452 412 V N 0.738 120.618 119.914 -0.058 0.000 2.307 412 V HA -0.167 3.953 4.120 0.000 0.000 0.245 412 V C 2.623 178.611 176.094 -0.177 0.000 1.045 412 V CA 1.645 63.853 62.300 -0.153 0.000 1.024 412 V CB -1.093 30.685 31.823 -0.075 0.000 0.651 412 V HN 0.362 nan 8.190 nan 0.000 0.449 413 A N -0.049 122.732 122.820 -0.066 0.000 1.892 413 A HA -0.244 4.076 4.320 0.000 0.000 0.218 413 A C 2.033 179.501 177.584 -0.192 0.000 1.188 413 A CA 2.256 54.235 52.037 -0.096 0.000 0.631 413 A CB -0.807 18.180 19.000 -0.021 0.000 0.822 413 A HN 0.481 nan 8.150 nan 0.000 0.447 414 F N -0.225 119.588 119.950 -0.229 0.000 2.259 414 F HA -0.084 4.443 4.527 0.000 0.000 0.298 414 F C 2.588 178.108 175.800 -0.467 0.000 1.088 414 F CA 1.395 59.259 58.000 -0.226 0.000 1.358 414 F CB -0.394 38.572 39.000 -0.058 0.000 1.040 414 F HN 0.433 nan 8.300 nan 0.000 0.505 415 Q N 0.551 119.837 119.800 -0.858 0.000 2.061 415 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 415 Q C 2.124 177.793 176.000 -0.552 0.000 0.984 415 Q CA 2.238 57.240 55.803 -1.334 0.000 0.846 415 Q CB -0.339 27.452 28.738 -1.578 0.000 0.902 415 Q HN 0.283 nan 8.270 nan 0.000 0.421 416 V N 1.553 121.245 119.914 -0.371 0.000 2.295 416 V HA -0.273 3.847 4.120 0.000 0.000 0.246 416 V C 2.467 178.463 176.094 -0.162 0.000 1.049 416 V CA 1.625 63.794 62.300 -0.219 0.000 1.024 416 V CB -0.659 31.060 31.823 -0.174 0.000 0.648 416 V HN 0.471 nan 8.190 nan 0.000 0.447 417 L N 0.066 121.180 121.223 -0.183 0.000 2.012 417 L HA -0.232 4.108 4.340 0.000 0.000 0.210 417 L C 2.642 179.474 176.870 -0.065 0.000 1.073 417 L CA 2.163 56.915 54.840 -0.145 0.000 0.748 417 L CB -0.647 41.272 42.059 -0.233 0.000 0.891 417 L HN 0.392 nan 8.230 nan 0.000 0.431 418 A N -0.790 122.020 122.820 -0.016 0.000 1.908 418 A HA -0.307 4.013 4.320 0.000 0.000 0.218 418 A C 2.070 179.682 177.584 0.047 0.000 1.181 418 A CA 1.920 54.005 52.037 0.079 0.000 0.627 418 A CB -0.590 18.551 19.000 0.235 0.000 0.818 418 A HN 0.601 nan 8.150 nan 0.000 0.445 419 Q N -1.147 118.651 119.800 -0.003 0.000 2.030 419 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 419 Q C 2.028 178.023 176.000 -0.008 0.000 0.986 419 Q CA 1.501 57.301 55.803 -0.005 0.000 0.843 419 Q CB -0.303 28.409 28.738 -0.043 0.000 0.904 419 Q HN 0.496 nan 8.270 nan 0.000 0.420 420 L N 0.421 121.626 121.223 -0.029 0.000 2.042 420 L HA -0.193 4.147 4.340 0.000 0.000 0.210 420 L C 2.123 178.984 176.870 -0.016 0.000 1.076 420 L CA 1.616 56.439 54.840 -0.028 0.000 0.749 420 L CB -0.857 41.175 42.059 -0.044 0.000 0.893 420 L HN 0.312 nan 8.230 nan 0.000 0.432 421 I N -0.916 119.648 120.570 -0.010 0.000 2.226 421 I HA -0.336 3.835 4.170 0.000 0.000 0.245 421 I C 2.431 178.554 176.117 0.009 0.000 1.100 421 I CA 1.138 62.438 61.300 -0.001 0.000 1.374 421 I CB -0.293 37.714 38.000 0.012 0.000 1.057 421 I HN 0.247 nan 8.210 nan 0.000 0.413 422 K N 0.785 121.198 120.400 0.022 0.000 2.009 422 K HA -0.209 4.111 4.320 0.000 0.000 0.210 422 K C 2.043 178.651 176.600 0.013 0.000 1.049 422 K CA 1.689 57.991 56.287 0.025 0.000 0.929 422 K CB -0.193 32.331 32.500 0.040 0.000 0.714 422 K HN 0.331 nan 8.250 nan 0.000 0.440 423 E N 0.332 120.537 120.200 0.008 0.000 2.153 423 E HA -0.172 4.178 4.350 0.000 0.000 0.194 423 E C 2.057 178.656 176.600 -0.002 0.000 0.988 423 E CA 1.241 57.643 56.400 0.002 0.000 0.811 423 E CB -0.022 29.677 29.700 -0.003 0.000 0.746 423 E HN 0.198 nan 8.360 nan 0.000 0.466 424 S N 0.045 115.743 115.700 -0.005 0.000 2.406 424 S HA -0.041 4.429 4.470 0.000 0.000 0.228 424 S C 1.071 175.667 174.600 -0.006 0.000 1.020 424 S CA 0.110 58.305 58.200 -0.008 0.000 0.965 424 S CB -0.051 63.141 63.200 -0.013 0.000 0.798 424 S HN 0.045 nan 8.310 nan 0.000 0.488 425 L N 0.000 121.221 121.223 -0.003 0.000 2.949 425 L HA 0.000 4.340 4.340 0.000 0.000 0.249 425 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 425 L CB 0.000 42.060 42.059 0.002 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502