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 1ztm_1_B DATA FIRST_RESID 22 DATA SEQUENCE ITKLQHVGVL VNSPKGMKIS QNFETRYLIL SLIPKIEDSN ScGDQQIKQY DATA SEQUENCE KRLLDRLIIP LYDGLRLQKD VIVXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXR SDIEKLKEAI RDTNKAVQSV QSSIGNLIVA DATA SEQUENCE IKSVQDYVNK EIVPSIARLG cEAAGLQLGI ALTQHYSELT NIFGDNIGSL DATA SEQUENCE QEKGIKLQGI ASLYRTNITE IFTTSTVDKY DIYDLLFTES IKVRVIDVDL DATA SEQUENCE NDYSITLQVR LPLLTRLLNT QIYRVDSISY NIQNREWYIP LPSHIMTKGA DATA SEQUENCE FLGGADVKEc IEAFSSYIcP SDPGFVLNHE MEScLSGNIS QcPRTVVKSD DATA SEQUENCE IVPRYAFVNG GVVANcITTT cTcNGIGNRI NQPPDQGVKI ITHKEcNTIG DATA SEQUENCE INGMLFNTNK EGTLAFYTPN DITLNNSVAL DPIDISIELN KAKSDLEESK DATA SEQUENCE EWIRRSNQKL DSIG 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 22 I HA 0.000 nan 4.170 nan 0.000 0.288 22 I C 0.000 176.019 176.117 -0.164 0.000 1.063 22 I CA 0.000 61.180 61.300 -0.200 0.000 1.566 22 I CB 0.000 37.788 38.000 -0.353 0.000 1.214 23 T N -1.504 112.955 114.554 -0.158 0.000 2.605 23 T HA 0.677 5.018 4.350 -0.015 0.000 0.216 23 T C -0.399 174.230 174.700 -0.118 0.000 0.812 23 T CA 0.167 62.196 62.100 -0.118 0.000 1.352 23 T CB 0.947 69.761 68.868 -0.090 0.000 1.694 23 T HN 0.854 nan 8.240 nan 0.000 0.440 24 K N 0.854 121.188 120.400 -0.110 0.000 2.562 24 K HA 0.732 5.043 4.320 -0.015 0.000 0.206 24 K C 0.226 176.723 176.600 -0.173 0.000 1.033 24 K CA -0.493 55.710 56.287 -0.140 0.000 1.029 24 K CB -0.413 32.015 32.500 -0.120 0.000 1.393 24 K HN 0.542 nan 8.250 nan 0.000 0.539 25 L N 1.113 122.228 121.223 -0.180 0.000 2.653 25 L HA 0.092 4.423 4.340 -0.015 0.000 0.231 25 L C 2.216 178.946 176.870 -0.232 0.000 1.153 25 L CA 0.133 54.862 54.840 -0.185 0.000 0.933 25 L CB 0.301 42.257 42.059 -0.172 0.000 1.175 25 L HN 0.666 nan 8.230 nan 0.000 0.473 26 Q N -0.632 118.995 119.800 -0.288 0.000 2.297 26 Q HA -0.197 4.134 4.340 -0.015 0.000 0.208 26 Q C 1.301 177.156 176.000 -0.241 0.000 0.981 26 Q CA 1.046 56.689 55.803 -0.267 0.000 0.876 26 Q CB -0.214 28.351 28.738 -0.288 0.000 0.921 26 Q HN 0.624 nan 8.270 nan 0.000 0.446 27 H N -0.178 118.819 119.070 -0.122 0.000 2.545 27 H HA -0.028 4.519 4.556 -0.015 0.000 0.282 27 H C 1.808 176.974 175.328 -0.270 0.000 1.020 27 H CA 1.251 57.231 56.048 -0.113 0.000 1.243 27 H CB 0.240 29.956 29.762 -0.076 0.000 1.377 27 H HN 0.257 nan 8.280 nan 0.000 0.581 28 V N -4.509 115.156 119.914 -0.415 0.000 3.380 28 V HA 0.527 4.638 4.120 -0.015 0.000 0.307 28 V C 1.525 177.056 176.094 -0.938 0.000 1.434 28 V CA 0.382 61.958 62.300 -1.206 0.000 1.075 28 V CB 0.386 31.705 31.823 -0.840 0.000 0.954 28 V HN 0.381 nan 8.190 nan 0.000 0.444 29 G N 0.920 109.507 108.800 -0.354 0.000 2.176 29 G HA2 -0.185 3.766 3.960 -0.015 0.000 0.253 29 G HA3 -0.185 3.766 3.960 -0.015 0.000 0.253 29 G C 0.220 175.055 174.900 -0.108 0.000 0.979 29 G CA 0.397 45.431 45.100 -0.110 0.000 0.641 29 G HN 1.845 nan 8.290 nan 0.000 0.530 30 V N -0.571 119.240 119.914 -0.172 0.000 2.439 30 V HA 0.845 4.956 4.120 -0.015 0.000 0.282 30 V C 0.223 176.249 176.094 -0.113 0.000 1.039 30 V CA -1.108 61.111 62.300 -0.135 0.000 0.913 30 V CB 1.488 33.217 31.823 -0.158 0.000 0.983 30 V HN 0.437 nan 8.190 nan 0.000 0.460 31 L N 5.904 127.080 121.223 -0.078 0.000 2.316 31 L HA 0.524 4.855 4.340 -0.015 0.000 0.280 31 L C -0.436 176.409 176.870 -0.042 0.000 1.006 31 L CA -0.712 54.092 54.840 -0.061 0.000 0.836 31 L CB 1.780 43.815 42.059 -0.040 0.000 1.221 31 L HN 0.492 nan 8.230 nan 0.000 0.418 32 V N 3.780 123.669 119.914 -0.041 0.000 2.339 32 V HA 0.196 4.307 4.120 -0.015 0.000 0.261 32 V C 0.424 176.568 176.094 0.084 0.000 1.058 32 V CA -0.471 61.832 62.300 0.004 0.000 0.897 32 V CB 0.284 32.066 31.823 -0.068 0.000 1.052 32 V HN 0.704 nan 8.190 nan 0.000 0.480 33 N N 2.323 121.077 118.700 0.090 0.000 2.385 33 N HA 0.169 4.900 4.740 -0.015 0.000 0.291 33 N C 0.516 176.091 175.510 0.109 0.000 1.298 33 N CA -0.396 52.706 53.050 0.086 0.000 0.955 33 N CB 0.075 38.597 38.487 0.058 0.000 1.096 33 N HN 0.548 nan 8.380 nan 0.000 0.543 34 S N 0.902 116.634 115.700 0.053 0.000 3.799 34 S HA 0.034 4.495 4.470 -0.015 0.000 0.454 34 S C -1.659 172.896 174.600 -0.076 0.000 1.130 34 S CA -0.213 57.985 58.200 -0.002 0.000 0.966 34 S CB -0.834 62.368 63.200 0.005 0.000 0.680 34 S HN 0.593 nan 8.310 nan 0.000 0.496 35 P HA 0.401 nan 4.420 nan 0.000 0.291 35 P C -0.292 176.803 177.300 -0.341 0.000 1.378 35 P CA -0.425 62.348 63.100 -0.544 0.000 0.853 35 P CB 0.330 31.621 31.700 -0.682 0.000 1.002 36 K N 2.230 122.497 120.400 -0.222 0.000 2.267 36 K HA 0.681 4.992 4.320 -0.015 0.000 0.246 36 K C 0.999 177.580 176.600 -0.031 0.000 0.954 36 K CA -0.452 55.788 56.287 -0.079 0.000 0.824 36 K CB 2.517 35.046 32.500 0.049 0.000 1.167 36 K HN 0.529 nan 8.250 nan 0.000 0.431 37 G N 0.966 109.754 108.800 -0.020 0.000 2.588 37 G HA2 0.375 4.326 3.960 -0.015 0.000 0.278 37 G HA3 0.375 4.326 3.960 -0.015 0.000 0.278 37 G C -0.721 174.219 174.900 0.067 0.000 1.307 37 G CA -0.424 44.677 45.100 0.002 0.000 1.016 37 G HN 0.479 nan 8.290 nan 0.000 0.503 38 M N -0.326 119.303 119.600 0.048 0.000 2.324 38 M HA 0.450 4.921 4.480 -0.015 0.000 0.288 38 M C -1.530 174.802 176.300 0.054 0.000 1.097 38 M CA -0.592 54.749 55.300 0.069 0.000 0.928 38 M CB 2.049 34.670 32.600 0.035 0.000 1.648 38 M HN 0.455 nan 8.290 nan 0.000 0.460 39 K N 5.219 125.660 120.400 0.069 0.000 2.371 39 K HA 0.657 4.968 4.320 -0.015 0.000 0.251 39 K C -0.985 175.653 176.600 0.064 0.000 0.934 39 K CA -0.806 55.514 56.287 0.055 0.000 0.798 39 K CB 2.925 35.456 32.500 0.052 0.000 1.204 39 K HN 0.768 nan 8.250 nan 0.000 0.427 40 I N -1.584 119.021 120.570 0.058 0.000 2.525 40 I HA 0.488 4.649 4.170 -0.015 0.000 0.301 40 I C -0.461 175.707 176.117 0.085 0.000 0.992 40 I CA -0.337 61.005 61.300 0.070 0.000 1.162 40 I CB 2.103 40.140 38.000 0.062 0.000 1.332 40 I HN 0.440 nan 8.210 nan 0.000 0.458 41 S N 4.366 120.134 115.700 0.113 0.000 2.594 41 S HA 0.410 4.871 4.470 -0.015 0.000 0.322 41 S C 0.043 174.809 174.600 0.277 0.000 1.085 41 S CA -0.392 57.905 58.200 0.162 0.000 1.116 41 S CB 0.928 64.207 63.200 0.131 0.000 0.979 41 S HN 0.833 nan 8.310 nan 0.000 0.465 42 Q N 2.655 122.624 119.800 0.281 0.000 2.445 42 Q HA 0.267 4.598 4.340 -0.015 0.000 0.257 42 Q C -0.427 175.782 176.000 0.348 0.000 0.806 42 Q CA 0.283 56.243 55.803 0.263 0.000 0.987 42 Q CB 0.150 28.959 28.738 0.118 0.000 1.248 42 Q HN 0.673 nan 8.270 nan 0.000 0.542 43 N N 1.219 120.109 118.700 0.316 0.000 2.420 43 N HA 0.189 4.920 4.740 -0.015 0.000 0.262 43 N C -0.823 174.977 175.510 0.483 0.000 1.144 43 N CA 0.396 53.627 53.050 0.302 0.000 0.952 43 N CB 0.396 38.982 38.487 0.165 0.000 1.081 43 N HN -0.087 nan 8.380 nan 0.000 0.480 44 F N 0.574 120.570 119.950 0.076 0.000 2.523 44 F HA 0.300 4.818 4.527 -0.015 0.000 0.329 44 F C 0.738 176.599 175.800 0.102 0.000 1.061 44 F CA -1.281 56.773 58.000 0.090 0.000 0.967 44 F CB 1.407 40.439 39.000 0.053 0.000 1.218 44 F HN 0.352 nan 8.300 nan 0.000 0.480 45 E N 1.026 121.370 120.200 0.239 0.000 2.186 45 E HA 0.320 4.661 4.350 -0.015 0.000 0.255 45 E C -1.179 175.479 176.600 0.098 0.000 0.881 45 E CA -0.380 56.125 56.400 0.175 0.000 0.752 45 E CB 0.973 30.794 29.700 0.202 0.000 1.176 45 E HN 0.569 nan 8.360 nan 0.000 0.421 46 T N 3.764 118.385 114.554 0.112 0.000 2.919 46 T HA 0.306 4.647 4.350 -0.015 0.000 0.302 46 T C -0.295 174.435 174.700 0.050 0.000 1.031 46 T CA -0.006 62.128 62.100 0.056 0.000 1.127 46 T CB 0.597 69.516 68.868 0.085 0.000 0.952 46 T HN 0.435 nan 8.240 nan 0.000 0.540 47 R N 1.574 122.054 120.500 -0.032 0.000 2.522 47 R HA 0.318 4.649 4.340 -0.015 0.000 0.273 47 R C -1.836 174.436 176.300 -0.047 0.000 1.133 47 R CA -0.609 55.513 56.100 0.037 0.000 0.969 47 R CB 1.029 31.322 30.300 -0.011 0.000 1.235 47 R HN 0.545 nan 8.270 nan 0.000 0.433 48 Y N 3.259 123.549 120.300 -0.017 0.000 2.310 48 Y HA 0.470 5.011 4.550 -0.015 0.000 0.326 48 Y C -0.168 175.706 175.900 -0.042 0.000 1.151 48 Y CA -0.667 57.416 58.100 -0.028 0.000 1.195 48 Y CB 1.388 39.836 38.460 -0.021 0.000 1.210 48 Y HN 0.388 nan 8.280 nan 0.000 0.483 49 L N 4.736 125.985 121.223 0.042 0.000 2.381 49 L HA 0.590 4.921 4.340 -0.015 0.000 0.274 49 L C -1.592 175.246 176.870 -0.053 0.000 0.988 49 L CA -0.791 54.032 54.840 -0.028 0.000 0.824 49 L CB 1.092 43.086 42.059 -0.107 0.000 1.263 49 L HN 0.392 nan 8.230 nan 0.000 0.410 50 I N 6.243 126.791 120.570 -0.036 0.000 2.330 50 I HA 0.275 4.436 4.170 -0.015 0.000 0.289 50 I C -0.579 175.501 176.117 -0.062 0.000 1.001 50 I CA -0.613 60.665 61.300 -0.036 0.000 1.193 50 I CB 1.215 39.215 38.000 0.001 0.000 1.345 50 I HN 0.446 nan 8.210 nan 0.000 0.461 51 L N 5.999 127.163 121.223 -0.098 0.000 2.265 51 L HA 0.268 4.598 4.340 -0.015 0.000 0.288 51 L C 0.483 177.373 176.870 0.033 0.000 1.058 51 L CA 0.339 55.137 54.840 -0.071 0.000 0.809 51 L CB 0.934 42.895 42.059 -0.163 0.000 1.179 51 L HN 0.486 nan 8.230 nan 0.000 0.429 52 S N 4.819 120.576 115.700 0.095 0.000 2.461 52 S HA 0.392 4.853 4.470 -0.015 0.000 0.322 52 S C 1.273 176.008 174.600 0.225 0.000 1.063 52 S CA -0.641 57.634 58.200 0.125 0.000 1.120 52 S CB 0.739 63.990 63.200 0.085 0.000 0.968 52 S HN 0.486 nan 8.310 nan 0.000 0.467 53 L N 2.139 123.502 121.223 0.233 0.000 2.313 53 L HA 0.282 4.613 4.340 -0.015 0.000 0.214 53 L C 0.532 177.617 176.870 0.358 0.000 1.119 53 L CA 0.760 55.792 54.840 0.320 0.000 0.809 53 L CB -0.052 42.135 42.059 0.213 0.000 0.933 53 L HN 0.502 nan 8.230 nan 0.000 0.449 54 I N 1.626 122.324 120.570 0.212 0.000 2.447 54 I HA 0.414 4.575 4.170 -0.015 0.000 0.287 54 I C -2.250 173.898 176.117 0.052 0.000 1.023 54 I CA -2.297 59.111 61.300 0.180 0.000 1.083 54 I CB 2.188 40.247 38.000 0.099 0.000 1.245 54 I HN -0.109 nan 8.210 nan 0.000 0.434 55 P HA 0.303 nan 4.420 nan 0.000 0.278 55 P C -0.619 176.666 177.300 -0.025 0.000 1.266 55 P CA -0.511 62.548 63.100 -0.069 0.000 0.807 55 P CB 0.500 32.111 31.700 -0.149 0.000 1.094 56 K N 1.441 121.828 120.400 -0.021 0.000 2.378 56 K HA 0.297 4.608 4.320 -0.015 0.000 0.288 56 K C 0.190 176.780 176.600 -0.017 0.000 1.057 56 K CA -0.161 56.122 56.287 -0.008 0.000 0.971 56 K CB -1.019 31.478 32.500 -0.005 0.000 0.975 56 K HN 0.435 nan 8.250 nan 0.000 0.475 57 I N 1.909 122.473 120.570 -0.011 0.000 2.359 57 I HA 0.285 4.446 4.170 -0.015 0.000 0.294 57 I C 0.055 176.165 176.117 -0.011 0.000 0.987 57 I CA -0.856 60.434 61.300 -0.017 0.000 1.225 57 I CB 2.059 40.049 38.000 -0.017 0.000 1.366 57 I HN 0.737 nan 8.210 nan 0.000 0.466 58 E N 6.183 126.375 120.200 -0.014 0.000 2.346 58 E HA 0.187 4.528 4.350 -0.015 0.000 0.239 58 E C -1.482 175.111 176.600 -0.012 0.000 0.943 58 E CA -0.606 55.788 56.400 -0.010 0.000 0.751 58 E CB 0.469 30.163 29.700 -0.010 0.000 1.241 58 E HN 0.498 nan 8.360 nan 0.000 0.423 59 D N 2.580 122.974 120.400 -0.010 0.000 2.446 59 D HA 0.101 4.732 4.640 -0.015 0.000 0.251 59 D C 0.495 176.790 176.300 -0.008 0.000 1.137 59 D CA -0.480 53.514 54.000 -0.011 0.000 0.890 59 D CB 1.549 42.341 40.800 -0.013 0.000 1.071 59 D HN 0.222 nan 8.370 nan 0.000 0.528 60 S N 3.337 119.033 115.700 -0.008 0.000 2.359 60 S HA -0.218 4.242 4.470 -0.015 0.000 0.223 60 S C 1.095 175.691 174.600 -0.006 0.000 1.039 60 S CA 1.193 59.389 58.200 -0.006 0.000 1.042 60 S CB -0.244 62.952 63.200 -0.007 0.000 0.915 60 S HN 0.550 nan 8.310 nan 0.000 0.439 61 N N 1.294 119.990 118.700 -0.008 0.000 2.313 61 N HA 0.077 4.808 4.740 -0.015 0.000 0.207 61 N C 0.261 175.767 175.510 -0.008 0.000 1.141 61 N CA 0.829 53.874 53.050 -0.008 0.000 0.830 61 N CB 0.279 38.761 38.487 -0.009 0.000 1.008 61 N HN 0.617 nan 8.380 nan 0.000 0.481 62 S N -1.529 114.167 115.700 -0.007 0.000 3.631 62 S HA -0.244 4.217 4.470 -0.015 0.000 0.366 62 S C 1.191 175.785 174.600 -0.009 0.000 0.993 62 S CA 0.485 58.681 58.200 -0.007 0.000 1.167 62 S CB -2.665 60.532 63.200 -0.005 0.000 0.909 62 S HN 0.471 nan 8.310 nan 0.000 0.478 63 c N 0.113 118.706 118.600 -0.011 0.000 2.464 63 c HA 0.296 4.857 4.570 -0.015 0.000 0.278 63 c C 2.586 176.668 174.090 -0.014 0.000 1.375 63 c CA 0.581 56.902 56.329 -0.012 0.000 1.761 63 c CB -1.385 41.116 42.510 -0.014 0.000 1.944 63 c HN 1.008 nan 8.230 nan 0.000 0.509 64 G N -0.576 108.215 108.800 -0.015 0.000 3.448 64 G HA2 0.022 3.973 3.960 -0.015 0.000 0.261 64 G HA3 0.022 3.973 3.960 -0.015 0.000 0.261 64 G C 0.996 175.889 174.900 -0.012 0.000 1.173 64 G CA 0.089 45.178 45.100 -0.017 0.000 0.835 64 G HN 0.433 nan 8.290 nan 0.000 0.534 65 D N 0.935 121.330 120.400 -0.007 0.000 2.182 65 D HA -0.228 4.403 4.640 -0.015 0.000 0.193 65 D C 2.159 178.459 176.300 -0.001 0.000 0.999 65 D CA 1.480 55.478 54.000 -0.003 0.000 0.850 65 D CB -0.065 40.734 40.800 -0.002 0.000 0.994 65 D HN 0.447 nan 8.370 nan 0.000 0.450 66 Q N -0.147 119.652 119.800 -0.002 0.000 2.082 66 Q HA -0.250 4.081 4.340 -0.015 0.000 0.211 66 Q C 2.141 178.142 176.000 0.001 0.000 1.002 66 Q CA 1.776 57.578 55.803 -0.001 0.000 0.868 66 Q CB -0.104 28.631 28.738 -0.004 0.000 0.931 66 Q HN 0.265 nan 8.270 nan 0.000 0.414 67 Q N 0.059 119.857 119.800 -0.004 0.000 2.197 67 Q HA -0.149 4.182 4.340 -0.015 0.000 0.207 67 Q C 2.091 178.100 176.000 0.016 0.000 0.984 67 Q CA 1.417 57.217 55.803 -0.004 0.000 0.869 67 Q CB -0.192 28.531 28.738 -0.024 0.000 0.906 67 Q HN 0.601 nan 8.270 nan 0.000 0.426 68 I N -0.008 120.572 120.570 0.016 0.000 2.333 68 I HA -0.195 3.966 4.170 -0.015 0.000 0.246 68 I C 2.442 178.582 176.117 0.038 0.000 1.106 68 I CA 0.752 62.076 61.300 0.040 0.000 1.411 68 I CB -0.311 37.700 38.000 0.019 0.000 1.082 68 I HN 0.117 nan 8.210 nan 0.000 0.420 69 K N 1.238 121.648 120.400 0.017 0.000 2.147 69 K HA -0.257 4.054 4.320 -0.015 0.000 0.205 69 K C 2.192 178.792 176.600 0.001 0.000 1.049 69 K CA 1.528 57.818 56.287 0.006 0.000 0.936 69 K CB -0.034 32.470 32.500 0.007 0.000 0.722 69 K HN 0.318 nan 8.250 nan 0.000 0.446 70 Q N -0.595 119.214 119.800 0.015 0.000 2.049 70 Q HA -0.205 4.126 4.340 -0.015 0.000 0.198 70 Q C 1.978 177.989 176.000 0.019 0.000 0.971 70 Q CA 1.290 57.099 55.803 0.010 0.000 0.833 70 Q CB -0.228 28.517 28.738 0.013 0.000 0.896 70 Q HN 0.420 nan 8.270 nan 0.000 0.434 71 Y N 1.514 121.754 120.300 -0.100 0.000 2.165 71 Y HA -0.214 4.327 4.550 -0.015 0.000 0.286 71 Y C 1.885 177.690 175.900 -0.158 0.000 1.155 71 Y CA 1.832 59.856 58.100 -0.127 0.000 1.164 71 Y CB -0.040 38.357 38.460 -0.105 0.000 0.978 71 Y HN 0.014 nan 8.280 nan 0.000 0.513 72 K N -0.496 119.757 120.400 -0.245 0.000 2.057 72 K HA -0.216 4.094 4.320 -0.015 0.000 0.207 72 K C 2.513 178.976 176.600 -0.229 0.000 1.049 72 K CA 1.767 57.791 56.287 -0.437 0.000 0.931 72 K CB -0.278 32.027 32.500 -0.325 0.000 0.714 72 K HN 0.295 nan 8.250 nan 0.000 0.440 73 R N 1.188 121.622 120.500 -0.110 0.000 2.159 73 R HA -0.111 4.220 4.340 -0.015 0.000 0.237 73 R C 2.055 178.307 176.300 -0.080 0.000 1.131 73 R CA 1.713 57.782 56.100 -0.053 0.000 0.982 73 R CB -1.277 29.004 30.300 -0.032 0.000 0.868 73 R HN 0.207 nan 8.270 nan 0.000 0.453 74 L N -0.194 120.934 121.223 -0.159 0.000 2.131 74 L HA 0.181 4.512 4.340 -0.015 0.000 0.206 74 L C 2.308 179.084 176.870 -0.156 0.000 1.087 74 L CA 1.253 55.977 54.840 -0.192 0.000 0.767 74 L CB -0.039 41.839 42.059 -0.302 0.000 0.917 74 L HN 0.357 nan 8.230 nan 0.000 0.441 75 L N -0.738 120.331 121.223 -0.256 0.000 2.217 75 L HA -0.143 4.188 4.340 -0.015 0.000 0.211 75 L C 2.064 178.978 176.870 0.073 0.000 1.107 75 L CA 0.886 55.660 54.840 -0.109 0.000 0.783 75 L CB -0.690 41.179 42.059 -0.316 0.000 0.919 75 L HN 0.307 nan 8.230 nan 0.000 0.442 76 D N 0.085 120.533 120.400 0.081 0.000 2.117 76 D HA -0.177 4.454 4.640 -0.015 0.000 0.198 76 D C 2.118 178.457 176.300 0.064 0.000 0.982 76 D CA 0.945 55.010 54.000 0.108 0.000 0.828 76 D CB -0.018 40.838 40.800 0.094 0.000 0.967 76 D HN 0.213 nan 8.370 nan 0.000 0.464 77 R N 0.357 120.883 120.500 0.044 0.000 2.328 77 R HA -0.065 4.265 4.340 -0.015 0.000 0.207 77 R C 1.931 178.275 176.300 0.072 0.000 1.056 77 R CA 0.314 56.441 56.100 0.046 0.000 1.016 77 R CB 0.065 30.381 30.300 0.027 0.000 0.872 77 R HN 0.139 nan 8.270 nan 0.000 0.471 78 L N -0.862 120.418 121.223 0.095 0.000 2.433 78 L HA 0.117 4.448 4.340 -0.015 0.000 0.200 78 L C 1.648 178.570 176.870 0.087 0.000 1.059 78 L CA 0.619 55.526 54.840 0.111 0.000 0.835 78 L CB -0.041 42.122 42.059 0.173 0.000 1.076 78 L HN -0.028 nan 8.230 nan 0.000 0.481 79 I N 0.336 120.960 120.570 0.091 0.000 2.110 79 I HA -0.217 3.944 4.170 -0.015 0.000 0.236 79 I C 2.510 178.674 176.117 0.078 0.000 1.068 79 I CA 1.101 62.447 61.300 0.077 0.000 1.333 79 I CB -0.916 37.125 38.000 0.068 0.000 1.054 79 I HN 0.166 nan 8.210 nan 0.000 0.402 80 I N 1.300 121.906 120.570 0.060 0.000 2.253 80 I HA -0.309 3.852 4.170 -0.015 0.000 0.234 80 I C -0.015 176.184 176.117 0.138 0.000 0.978 80 I CA 2.554 63.906 61.300 0.086 0.000 1.271 80 I CB -3.115 34.921 38.000 0.060 0.000 0.978 80 I HN 0.144 nan 8.210 nan 0.000 0.394 81 P HA -0.199 nan 4.420 nan 0.000 0.216 81 P C 2.080 179.426 177.300 0.076 0.000 1.154 81 P CA 1.361 64.507 63.100 0.076 0.000 0.865 81 P CB -0.127 31.607 31.700 0.056 0.000 0.789 82 L N -2.071 119.203 121.223 0.085 0.000 2.083 82 L HA -0.168 4.163 4.340 -0.015 0.000 0.209 82 L C 2.300 179.229 176.870 0.099 0.000 1.083 82 L CA 1.725 56.609 54.840 0.073 0.000 0.752 82 L CB -1.547 40.553 42.059 0.069 0.000 0.899 82 L HN -0.078 nan 8.230 nan 0.000 0.433 83 Y N 0.926 121.223 120.300 -0.005 0.000 2.062 83 Y HA -0.279 4.262 4.550 -0.015 0.000 0.272 83 Y C 2.413 178.308 175.900 -0.008 0.000 1.117 83 Y CA 2.152 60.245 58.100 -0.011 0.000 1.095 83 Y CB -0.760 37.690 38.460 -0.018 0.000 0.985 83 Y HN 0.316 nan 8.280 nan 0.000 0.479 84 D N -0.271 120.164 120.400 0.058 0.000 2.218 84 D HA -0.255 4.376 4.640 -0.015 0.000 0.194 84 D C 2.216 178.457 176.300 -0.099 0.000 1.007 84 D CA 1.677 55.643 54.000 -0.058 0.000 0.879 84 D CB -0.906 39.916 40.800 0.036 0.000 0.918 84 D HN 0.606 nan 8.370 nan 0.000 0.449 85 G N 0.571 109.340 108.800 -0.051 0.000 2.404 85 G HA2 -0.152 3.799 3.960 -0.015 0.000 0.215 85 G HA3 -0.152 3.799 3.960 -0.015 0.000 0.215 85 G C 1.879 176.732 174.900 -0.079 0.000 1.174 85 G CA 0.247 45.318 45.100 -0.048 0.000 0.780 85 G HN 0.260 nan 8.290 nan 0.000 0.537 86 L N 0.632 121.796 121.223 -0.099 0.000 2.046 86 L HA -0.059 4.272 4.340 -0.015 0.000 0.208 86 L C 3.635 180.410 176.870 -0.158 0.000 1.077 86 L CA 1.474 56.251 54.840 -0.106 0.000 0.747 86 L CB -0.694 41.313 42.059 -0.087 0.000 0.896 86 L HN 0.338 nan 8.230 nan 0.000 0.432 87 R N 0.677 121.012 120.500 -0.276 0.000 2.094 87 R HA -0.217 4.114 4.340 -0.015 0.000 0.239 87 R C 2.127 178.335 176.300 -0.153 0.000 1.137 87 R CA 2.062 57.996 56.100 -0.277 0.000 0.943 87 R CB -1.736 28.320 30.300 -0.407 0.000 0.850 87 R HN 0.394 nan 8.270 nan 0.000 0.433 88 L N 0.440 121.589 121.223 -0.124 0.000 2.127 88 L HA -0.212 4.119 4.340 -0.015 0.000 0.211 88 L C 2.681 179.514 176.870 -0.061 0.000 1.089 88 L CA 2.741 57.535 54.840 -0.076 0.000 0.757 88 L CB -0.353 41.671 42.059 -0.057 0.000 0.899 88 L HN 0.656 nan 8.230 nan 0.000 0.434 89 Q N -0.279 119.482 119.800 -0.064 0.000 1.965 89 Q HA -0.226 4.104 4.340 -0.015 0.000 0.200 89 Q C 2.415 178.388 176.000 -0.045 0.000 0.981 89 Q CA 2.449 58.224 55.803 -0.047 0.000 0.834 89 Q CB -0.197 28.515 28.738 -0.044 0.000 0.900 89 Q HN 0.537 nan 8.270 nan 0.000 0.426 90 K N 1.026 121.393 120.400 -0.055 0.000 2.152 90 K HA -0.207 4.104 4.320 -0.015 0.000 0.206 90 K C 1.548 178.123 176.600 -0.042 0.000 1.048 90 K CA 1.759 58.019 56.287 -0.045 0.000 0.933 90 K CB -1.048 31.421 32.500 -0.051 0.000 0.721 90 K HN 0.526 nan 8.250 nan 0.000 0.447 91 D N 0.079 120.448 120.400 -0.052 0.000 2.144 91 D HA -0.092 4.539 4.640 -0.015 0.000 0.199 91 D C 1.653 177.934 176.300 -0.032 0.000 0.984 91 D CA 1.599 55.573 54.000 -0.044 0.000 0.834 91 D CB 0.238 41.008 40.800 -0.051 0.000 0.955 91 D HN 0.248 nan 8.370 nan 0.000 0.465 92 V N 0.625 120.521 119.914 -0.031 0.000 2.685 92 V HA 0.000 4.111 4.120 -0.015 0.000 0.244 92 V C 2.472 178.554 176.094 -0.020 0.000 1.054 92 V CA 0.346 62.632 62.300 -0.024 0.000 1.076 92 V CB 0.145 31.954 31.823 -0.023 0.000 0.725 92 V HN 0.165 nan 8.190 nan 0.000 0.467 93 I N -0.023 120.534 120.570 -0.022 0.000 2.676 93 I HA -0.046 4.115 4.170 -0.015 0.000 0.259 93 I C 0.540 176.647 176.117 -0.016 0.000 1.194 93 I CA 0.698 61.987 61.300 -0.018 0.000 1.473 93 I CB 0.140 38.129 38.000 -0.018 0.000 1.096 93 I HN 0.192 nan 8.210 nan 0.000 0.443 142 S N -1.120 114.578 115.700 -0.004 0.000 2.623 142 S HA 0.412 4.873 4.470 -0.015 0.000 0.278 142 S C 0.350 174.947 174.600 -0.004 0.000 1.148 142 S CA 0.096 58.294 58.200 -0.003 0.000 1.028 142 S CB 1.022 64.220 63.200 -0.003 0.000 1.145 142 S HN 0.215 nan 8.310 nan 0.000 0.523 143 D N 0.342 120.740 120.400 -0.004 0.000 2.162 143 D HA 0.109 4.740 4.640 -0.015 0.000 0.203 143 D C 1.845 178.142 176.300 -0.004 0.000 0.967 143 D CA 0.897 54.894 54.000 -0.004 0.000 0.840 143 D CB -0.204 40.594 40.800 -0.003 0.000 0.972 143 D HN 0.452 nan 8.370 nan 0.000 0.482 144 I N 1.189 121.757 120.570 -0.003 0.000 2.676 144 I HA -0.155 4.006 4.170 -0.015 0.000 0.259 144 I C 2.663 178.778 176.117 -0.004 0.000 1.194 144 I CA 0.994 62.292 61.300 -0.003 0.000 1.473 144 I CB -0.227 37.772 38.000 -0.002 0.000 1.096 144 I HN -0.017 nan 8.210 nan 0.000 0.443 145 E N 1.597 121.795 120.200 -0.004 0.000 2.170 145 E HA -0.134 4.207 4.350 -0.015 0.000 0.191 145 E C 2.387 178.984 176.600 -0.006 0.000 0.981 145 E CA 1.289 57.687 56.400 -0.004 0.000 0.830 145 E CB -0.587 29.110 29.700 -0.004 0.000 0.775 145 E HN 0.558 nan 8.360 nan 0.000 0.470 146 K N 0.706 121.102 120.400 -0.006 0.000 2.103 146 K HA 0.253 4.564 4.320 -0.015 0.000 0.204 146 K C 2.270 178.865 176.600 -0.009 0.000 1.052 146 K CA 1.027 57.310 56.287 -0.008 0.000 0.945 146 K CB -0.745 31.751 32.500 -0.008 0.000 0.722 146 K HN 0.392 nan 8.250 nan 0.000 0.443 147 L N 0.557 121.776 121.223 -0.008 0.000 2.131 147 L HA -0.210 4.121 4.340 -0.015 0.000 0.210 147 L C 2.847 179.712 176.870 -0.009 0.000 1.092 147 L CA 2.282 57.117 54.840 -0.008 0.000 0.759 147 L CB -0.185 41.871 42.059 -0.006 0.000 0.903 147 L HN 0.656 nan 8.230 nan 0.000 0.435 148 K N -0.240 120.156 120.400 -0.007 0.000 2.211 148 K HA -0.029 4.282 4.320 -0.015 0.000 0.201 148 K C 1.950 178.545 176.600 -0.008 0.000 1.052 148 K CA 1.027 57.310 56.287 -0.007 0.000 0.973 148 K CB -0.294 32.203 32.500 -0.005 0.000 0.766 148 K HN 0.116 nan 8.250 nan 0.000 0.466 149 E N 1.454 121.648 120.200 -0.008 0.000 2.267 149 E HA -0.090 4.251 4.350 -0.015 0.000 0.197 149 E C 1.898 178.491 176.600 -0.012 0.000 0.998 149 E CA 1.451 57.846 56.400 -0.009 0.000 0.830 149 E CB -0.605 29.090 29.700 -0.009 0.000 0.751 149 E HN 0.627 nan 8.360 nan 0.000 0.491 150 A N -0.096 122.717 122.820 -0.013 0.000 1.984 150 A HA 0.286 4.597 4.320 -0.015 0.000 0.214 150 A C 2.347 179.920 177.584 -0.017 0.000 1.173 150 A CA 0.938 52.965 52.037 -0.017 0.000 0.673 150 A CB 0.016 19.005 19.000 -0.019 0.000 0.830 150 A HN 0.467 nan 8.150 nan 0.000 0.453 151 I N -0.345 120.217 120.570 -0.014 0.000 2.500 151 I HA -0.150 4.011 4.170 -0.015 0.000 0.252 151 I C 3.129 179.239 176.117 -0.011 0.000 1.142 151 I CA 0.949 62.241 61.300 -0.013 0.000 1.451 151 I CB -0.355 37.639 38.000 -0.009 0.000 1.093 151 I HN 0.395 nan 8.210 nan 0.000 0.430 152 R N 0.504 120.998 120.500 -0.010 0.000 2.092 152 R HA -0.174 4.157 4.340 -0.015 0.000 0.231 152 R C 1.791 178.084 176.300 -0.011 0.000 1.119 152 R CA 1.856 57.951 56.100 -0.009 0.000 0.970 152 R CB -1.427 28.868 30.300 -0.008 0.000 0.864 152 R HN 0.329 nan 8.270 nan 0.000 0.440 153 D N -0.258 120.134 120.400 -0.013 0.000 2.097 153 D HA -0.103 4.528 4.640 -0.015 0.000 0.195 153 D C 1.817 178.107 176.300 -0.017 0.000 0.989 153 D CA 2.107 56.097 54.000 -0.015 0.000 0.827 153 D CB -0.187 40.602 40.800 -0.018 0.000 0.966 153 D HN 0.424 nan 8.370 nan 0.000 0.456 154 T N 1.464 116.006 114.554 -0.019 0.000 2.684 154 T HA -0.139 4.202 4.350 -0.015 0.000 0.267 154 T C 1.624 176.315 174.700 -0.015 0.000 1.036 154 T CA 1.050 63.137 62.100 -0.021 0.000 1.148 154 T CB -0.173 68.682 68.868 -0.022 0.000 0.863 154 T HN 0.096 nan 8.240 nan 0.000 0.436 155 N N 1.227 119.920 118.700 -0.011 0.000 2.120 155 N HA -0.071 4.660 4.740 -0.015 0.000 0.188 155 N C 2.308 177.814 175.510 -0.008 0.000 1.024 155 N CA 1.745 54.790 53.050 -0.008 0.000 0.852 155 N CB -0.585 37.899 38.487 -0.006 0.000 1.003 155 N HN 0.557 nan 8.380 nan 0.000 0.424 156 K N 1.004 121.399 120.400 -0.009 0.000 2.147 156 K HA 0.126 4.437 4.320 -0.015 0.000 0.205 156 K C 2.132 178.727 176.600 -0.009 0.000 1.049 156 K CA 1.481 57.763 56.287 -0.008 0.000 0.936 156 K CB -1.003 31.491 32.500 -0.009 0.000 0.722 156 K HN 0.342 nan 8.250 nan 0.000 0.446 157 A N 0.324 123.136 122.820 -0.012 0.000 1.968 157 A HA 0.120 4.431 4.320 -0.015 0.000 0.217 157 A C 2.516 180.094 177.584 -0.010 0.000 1.169 157 A CA 1.468 53.497 52.037 -0.013 0.000 0.638 157 A CB -0.165 18.823 19.000 -0.019 0.000 0.812 157 A HN 0.283 nan 8.150 nan 0.000 0.446 158 V N -0.207 119.702 119.914 -0.008 0.000 2.548 158 V HA -0.204 3.907 4.120 -0.015 0.000 0.249 158 V C 3.238 179.331 176.094 -0.003 0.000 1.055 158 V CA 2.235 64.532 62.300 -0.004 0.000 1.065 158 V CB -1.173 30.648 31.823 -0.002 0.000 0.681 158 V HN 0.779 nan 8.190 nan 0.000 0.462 159 Q N -0.338 119.460 119.800 -0.004 0.000 1.993 159 Q HA -0.289 4.042 4.340 -0.015 0.000 0.202 159 Q C 2.391 178.390 176.000 -0.003 0.000 0.984 159 Q CA 2.475 58.276 55.803 -0.003 0.000 0.837 159 Q CB -1.372 27.364 28.738 -0.003 0.000 0.902 159 Q HN 0.622 nan 8.270 nan 0.000 0.423 160 S N -0.018 115.679 115.700 -0.004 0.000 2.402 160 S HA -0.155 4.305 4.470 -0.015 0.000 0.233 160 S C 2.105 176.703 174.600 -0.003 0.000 1.030 160 S CA 1.382 59.579 58.200 -0.004 0.000 1.003 160 S CB -0.431 62.765 63.200 -0.006 0.000 0.813 160 S HN 0.517 nan 8.310 nan 0.000 0.477 161 V N 1.522 121.434 119.914 -0.002 0.000 2.307 161 V HA -0.220 3.891 4.120 -0.015 0.000 0.245 161 V C 2.389 178.484 176.094 0.001 0.000 1.045 161 V CA 1.697 63.996 62.300 -0.000 0.000 1.024 161 V CB -0.764 31.059 31.823 0.001 0.000 0.651 161 V HN 0.494 nan 8.190 nan 0.000 0.449 162 Q N -0.087 119.714 119.800 0.001 0.000 2.077 162 Q HA -0.238 4.092 4.340 -0.015 0.000 0.206 162 Q C 2.496 178.497 176.000 0.001 0.000 0.989 162 Q CA 2.073 57.877 55.803 0.002 0.000 0.853 162 Q CB -0.469 28.270 28.738 0.002 0.000 0.907 162 Q HN 0.606 nan 8.270 nan 0.000 0.418 163 S N -0.074 115.626 115.700 -0.000 0.000 2.370 163 S HA -0.227 4.234 4.470 -0.015 0.000 0.226 163 S C 2.079 176.678 174.600 -0.001 0.000 1.033 163 S CA 1.626 59.826 58.200 -0.001 0.000 1.011 163 S CB -0.307 62.892 63.200 -0.002 0.000 0.852 163 S HN 0.377 nan 8.310 nan 0.000 0.457 164 S N 0.616 116.315 115.700 -0.001 0.000 2.355 164 S HA -0.016 4.445 4.470 -0.015 0.000 0.222 164 S C 1.806 176.406 174.600 -0.000 0.000 1.031 164 S CA 1.241 59.440 58.200 -0.001 0.000 0.993 164 S CB -0.473 62.726 63.200 -0.001 0.000 0.859 164 S HN 0.560 nan 8.310 nan 0.000 0.453 165 I N 1.882 122.453 120.570 0.001 0.000 2.423 165 I HA -0.086 4.075 4.170 -0.015 0.000 0.254 165 I C 2.482 178.600 176.117 0.002 0.000 1.151 165 I CA 1.306 62.608 61.300 0.002 0.000 1.421 165 I CB -2.183 35.819 38.000 0.004 0.000 1.079 165 I HN 0.392 nan 8.210 nan 0.000 0.431 166 G N 1.190 109.991 108.800 0.001 0.000 2.404 166 G HA2 -0.196 3.755 3.960 -0.015 0.000 0.213 166 G HA3 -0.196 3.755 3.960 -0.015 0.000 0.213 166 G C 1.451 176.351 174.900 0.000 0.000 1.189 166 G CA 0.164 45.264 45.100 0.001 0.000 0.796 166 G HN 0.320 nan 8.290 nan 0.000 0.532 167 N N 0.323 119.023 118.700 -0.001 0.000 2.430 167 N HA 0.002 4.733 4.740 -0.015 0.000 0.186 167 N C 2.025 177.533 175.510 -0.003 0.000 1.032 167 N CA 0.454 53.502 53.050 -0.002 0.000 0.893 167 N CB 0.039 38.524 38.487 -0.003 0.000 0.957 167 N HN 0.276 nan 8.380 nan 0.000 0.442 168 L N 0.794 122.016 121.223 -0.002 0.000 2.145 168 L HA 0.039 4.370 4.340 -0.015 0.000 0.201 168 L C 2.283 179.152 176.870 -0.001 0.000 1.075 168 L CA 0.475 55.314 54.840 -0.002 0.000 0.773 168 L CB -0.301 41.758 42.059 -0.001 0.000 0.936 168 L HN 0.087 nan 8.230 nan 0.000 0.451 169 I N -3.069 117.502 120.570 0.001 0.000 2.264 169 I HA -0.223 3.938 4.170 -0.015 0.000 0.248 169 I C 2.404 178.523 176.117 0.003 0.000 1.111 169 I CA 1.056 62.358 61.300 0.003 0.000 1.382 169 I CB -0.798 37.204 38.000 0.004 0.000 1.060 169 I HN -0.060 nan 8.210 nan 0.000 0.418 170 V N 2.006 121.921 119.914 0.002 0.000 2.229 170 V HA -0.260 3.851 4.120 -0.015 0.000 0.243 170 V C 3.149 179.243 176.094 0.001 0.000 1.042 170 V CA 2.281 64.582 62.300 0.003 0.000 1.000 170 V CB -1.008 30.816 31.823 0.001 0.000 0.637 170 V HN 0.602 nan 8.190 nan 0.000 0.446 171 A N -0.374 122.444 122.820 -0.003 0.000 1.997 171 A HA -0.250 4.061 4.320 -0.015 0.000 0.221 171 A C 2.112 179.691 177.584 -0.007 0.000 1.172 171 A CA 2.321 54.352 52.037 -0.009 0.000 0.645 171 A CB -0.660 18.332 19.000 -0.013 0.000 0.813 171 A HN 0.582 nan 8.150 nan 0.000 0.454 172 I N -0.526 120.043 120.570 -0.002 0.000 2.193 172 I HA -0.200 3.961 4.170 -0.015 0.000 0.240 172 I C 3.093 179.216 176.117 0.010 0.000 1.084 172 I CA 1.577 62.878 61.300 0.002 0.000 1.365 172 I CB -0.579 37.423 38.000 0.004 0.000 1.064 172 I HN 0.414 nan 8.210 nan 0.000 0.410 173 K N 0.532 120.939 120.400 0.012 0.000 2.044 173 K HA -0.262 4.049 4.320 -0.015 0.000 0.210 173 K C 2.269 178.885 176.600 0.027 0.000 1.049 173 K CA 2.206 58.504 56.287 0.018 0.000 0.927 173 K CB -1.570 30.939 32.500 0.015 0.000 0.713 173 K HN 0.338 nan 8.250 nan 0.000 0.443 174 S N -0.020 115.693 115.700 0.022 0.000 2.372 174 S HA -0.176 4.285 4.470 -0.015 0.000 0.227 174 S C 2.080 176.708 174.600 0.046 0.000 1.044 174 S CA 1.799 60.017 58.200 0.031 0.000 1.050 174 S CB -0.510 62.695 63.200 0.009 0.000 0.901 174 S HN 0.410 nan 8.310 nan 0.000 0.447 175 V N 2.183 122.110 119.914 0.021 0.000 2.255 175 V HA -0.250 3.861 4.120 -0.015 0.000 0.247 175 V C 2.708 178.852 176.094 0.084 0.000 1.051 175 V CA 2.556 64.872 62.300 0.026 0.000 1.018 175 V CB -0.961 30.864 31.823 0.003 0.000 0.641 175 V HN 0.680 nan 8.190 nan 0.000 0.445 176 Q N -0.175 119.661 119.800 0.059 0.000 1.985 176 Q HA -0.319 4.012 4.340 -0.015 0.000 0.207 176 Q C 1.993 178.040 176.000 0.077 0.000 0.996 176 Q CA 2.587 58.426 55.803 0.059 0.000 0.851 176 Q CB -0.402 28.358 28.738 0.037 0.000 0.921 176 Q HN 0.650 nan 8.270 nan 0.000 0.418 177 D N -0.464 119.980 120.400 0.073 0.000 2.149 177 D HA -0.220 4.411 4.640 -0.015 0.000 0.194 177 D C 1.691 178.051 176.300 0.100 0.000 1.001 177 D CA 1.530 55.572 54.000 0.070 0.000 0.849 177 D CB -0.651 40.187 40.800 0.063 0.000 0.939 177 D HN 0.429 nan 8.370 nan 0.000 0.449 178 Y N 1.530 121.830 120.300 -0.000 0.000 2.097 178 Y HA -0.264 4.286 4.550 0.000 0.000 0.282 178 Y C 2.403 178.303 175.900 -0.001 0.000 1.152 178 Y CA 2.047 60.147 58.100 -0.000 0.000 1.136 178 Y CB -0.464 37.995 38.460 -0.000 0.000 0.975 178 Y HN -0.060 nan 8.280 nan 0.000 0.498 179 V N 0.140 120.169 119.914 0.192 0.000 2.490 179 V HA -0.246 3.865 4.120 -0.015 0.000 0.250 179 V C 1.743 177.827 176.094 -0.017 0.000 1.061 179 V CA 2.553 64.896 62.300 0.072 0.000 1.064 179 V CB -0.622 31.261 31.823 0.100 0.000 0.670 179 V HN 0.495 nan 8.190 nan 0.000 0.461 180 N N 0.864 119.562 118.700 -0.004 0.000 2.368 180 N HA 0.033 4.764 4.740 -0.015 0.000 0.176 180 N C 1.826 177.308 175.510 -0.048 0.000 1.021 180 N CA 1.839 54.877 53.050 -0.020 0.000 0.888 180 N CB -0.036 38.451 38.487 -0.000 0.000 0.995 180 N HN 0.734 nan 8.380 nan 0.000 0.437 181 K N 0.897 121.257 120.400 -0.066 0.000 2.374 181 K HA 0.228 4.539 4.320 -0.015 0.000 0.196 181 K C 1.243 177.752 176.600 -0.151 0.000 1.023 181 K CA 0.415 56.653 56.287 -0.080 0.000 1.103 181 K CB 0.308 32.782 32.500 -0.044 0.000 0.848 181 K HN 0.237 nan 8.250 nan 0.000 0.528 182 E N -1.587 118.460 120.200 -0.256 0.000 2.614 182 E HA 0.271 4.612 4.350 -0.015 0.000 0.201 182 E C 1.437 177.851 176.600 -0.311 0.000 0.889 182 E CA 0.227 56.417 56.400 -0.350 0.000 1.564 182 E CB 0.437 29.758 29.700 -0.632 0.000 1.623 182 E HN 0.350 nan 8.360 nan 0.000 0.898 183 I N 1.000 121.394 120.570 -0.295 0.000 2.272 183 I HA -0.148 4.013 4.170 -0.015 0.000 0.235 183 I C 2.349 178.415 176.117 -0.086 0.000 1.071 183 I CA 0.511 61.719 61.300 -0.154 0.000 1.374 183 I CB -0.196 37.761 38.000 -0.072 0.000 1.121 183 I HN -0.094 nan 8.210 nan 0.000 0.420 184 V N 1.947 121.823 119.914 -0.064 0.000 2.252 184 V HA -0.261 3.850 4.120 -0.015 0.000 0.255 184 V C -0.306 175.761 176.094 -0.045 0.000 1.071 184 V CA 2.616 64.891 62.300 -0.041 0.000 1.050 184 V CB -2.042 29.763 31.823 -0.031 0.000 0.654 184 V HN 0.301 nan 8.190 nan 0.000 0.448 185 P HA -0.177 nan 4.420 nan 0.000 0.214 185 P C 2.116 179.388 177.300 -0.048 0.000 1.163 185 P CA 2.232 65.302 63.100 -0.050 0.000 0.889 185 P CB -0.214 31.449 31.700 -0.061 0.000 0.790 186 S N -1.235 114.428 115.700 -0.062 0.000 2.392 186 S HA -0.184 4.276 4.470 -0.015 0.000 0.232 186 S C 1.877 176.456 174.600 -0.034 0.000 1.041 186 S CA 1.176 59.345 58.200 -0.051 0.000 1.026 186 S CB -0.930 62.231 63.200 -0.066 0.000 0.845 186 S HN -0.138 nan 8.310 nan 0.000 0.465 187 I N 1.647 122.198 120.570 -0.032 0.000 2.202 187 I HA -0.077 4.084 4.170 -0.015 0.000 0.242 187 I C 2.813 178.918 176.117 -0.019 0.000 1.091 187 I CA 1.341 62.628 61.300 -0.021 0.000 1.368 187 I CB -1.894 36.096 38.000 -0.017 0.000 1.058 187 I HN 0.375 nan 8.210 nan 0.000 0.410 188 A N 0.602 123.409 122.820 -0.021 0.000 1.902 188 A HA -0.224 4.087 4.320 -0.015 0.000 0.217 188 A C 2.544 180.117 177.584 -0.018 0.000 1.181 188 A CA 1.549 53.575 52.037 -0.019 0.000 0.623 188 A CB -0.647 18.342 19.000 -0.019 0.000 0.818 188 A HN 0.320 nan 8.150 nan 0.000 0.443 189 R N -0.321 120.166 120.500 -0.021 0.000 2.082 189 R HA -0.136 4.195 4.340 -0.015 0.000 0.234 189 R C 2.081 178.371 176.300 -0.017 0.000 1.136 189 R CA 1.865 57.954 56.100 -0.019 0.000 0.935 189 R CB -0.559 29.728 30.300 -0.022 0.000 0.842 189 R HN 0.514 nan 8.270 nan 0.000 0.430 190 L N -0.135 121.078 121.223 -0.016 0.000 2.051 190 L HA -0.197 4.134 4.340 -0.015 0.000 0.214 190 L C 2.557 179.419 176.870 -0.013 0.000 1.076 190 L CA 1.627 56.459 54.840 -0.014 0.000 0.758 190 L CB -0.751 41.301 42.059 -0.012 0.000 0.890 190 L HN 0.527 nan 8.230 nan 0.000 0.433 191 G N -1.495 107.297 108.800 -0.013 0.000 2.422 191 G HA2 -0.275 3.676 3.960 -0.015 0.000 0.218 191 G HA3 -0.275 3.676 3.960 -0.015 0.000 0.218 191 G C 1.723 176.615 174.900 -0.013 0.000 1.146 191 G CA 0.788 45.881 45.100 -0.012 0.000 0.769 191 G HN 0.420 nan 8.290 nan 0.000 0.547 192 c N 0.354 118.945 118.600 -0.014 0.000 2.491 192 c HA 0.126 4.687 4.570 -0.015 0.000 0.283 192 c C 3.385 177.467 174.090 -0.014 0.000 1.238 192 c CA 2.389 58.710 56.329 -0.014 0.000 1.735 192 c CB -0.900 41.602 42.510 -0.014 0.000 2.080 192 c HN 0.668 nan 8.230 nan 0.000 0.463 193 E N 0.012 120.204 120.200 -0.014 0.000 2.200 193 E HA -0.329 4.012 4.350 -0.015 0.000 0.211 193 E C 1.987 178.579 176.600 -0.015 0.000 1.048 193 E CA 2.651 59.043 56.400 -0.014 0.000 0.851 193 E CB -1.253 28.440 29.700 -0.012 0.000 0.747 193 E HN 0.911 nan 8.360 nan 0.000 0.462 194 A N 0.636 123.447 122.820 -0.014 0.000 1.855 194 A HA 0.271 4.582 4.320 -0.015 0.000 0.215 194 A C 2.928 180.502 177.584 -0.017 0.000 1.191 194 A CA 2.805 54.834 52.037 -0.015 0.000 0.613 194 A CB -0.973 18.020 19.000 -0.013 0.000 0.829 194 A HN 1.311 nan 8.150 nan 0.000 0.442 195 A N -0.468 122.342 122.820 -0.017 0.000 1.958 195 A HA -0.019 4.292 4.320 -0.015 0.000 0.221 195 A C 2.391 179.961 177.584 -0.023 0.000 1.178 195 A CA 2.328 54.353 52.037 -0.019 0.000 0.642 195 A CB -1.495 17.495 19.000 -0.017 0.000 0.816 195 A HN 0.789 nan 8.150 nan 0.000 0.453 196 G N -0.257 108.530 108.800 -0.021 0.000 2.484 196 G HA2 -0.174 3.776 3.960 -0.015 0.000 0.215 196 G HA3 -0.174 3.776 3.960 -0.015 0.000 0.215 196 G C 1.526 176.409 174.900 -0.029 0.000 1.219 196 G CA 0.969 46.054 45.100 -0.024 0.000 0.791 196 G HN 0.440 nan 8.290 nan 0.000 0.550 197 L N 0.251 121.459 121.223 -0.025 0.000 2.089 197 L HA -0.229 4.102 4.340 -0.015 0.000 0.213 197 L C 3.008 179.859 176.870 -0.031 0.000 1.079 197 L CA 1.734 56.558 54.840 -0.026 0.000 0.758 197 L CB -0.433 41.614 42.059 -0.020 0.000 0.891 197 L HN 0.377 nan 8.230 nan 0.000 0.433 198 Q N 0.002 119.785 119.800 -0.030 0.000 2.119 198 Q HA -0.243 4.088 4.340 -0.015 0.000 0.201 198 Q C 2.287 178.260 176.000 -0.045 0.000 0.972 198 Q CA 1.376 57.160 55.803 -0.032 0.000 0.847 198 Q CB -0.011 28.711 28.738 -0.027 0.000 0.903 198 Q HN 0.400 nan 8.270 nan 0.000 0.433 199 L N 0.237 121.429 121.223 -0.052 0.000 2.017 199 L HA -0.038 4.293 4.340 -0.015 0.000 0.208 199 L C 2.157 178.965 176.870 -0.103 0.000 1.073 199 L CA 2.413 57.209 54.840 -0.074 0.000 0.745 199 L CB -1.094 40.925 42.059 -0.067 0.000 0.894 199 L HN 0.265 nan 8.230 nan 0.000 0.432 200 G N 0.234 108.982 108.800 -0.087 0.000 2.469 200 G HA2 -0.278 3.673 3.960 -0.015 0.000 0.219 200 G HA3 -0.278 3.673 3.960 -0.015 0.000 0.219 200 G C 1.566 176.409 174.900 -0.096 0.000 1.150 200 G CA 1.184 46.225 45.100 -0.099 0.000 0.763 200 G HN 0.419 nan 8.290 nan 0.000 0.561 201 I N 1.776 122.308 120.570 -0.063 0.000 2.127 201 I HA -0.226 3.935 4.170 -0.015 0.000 0.241 201 I C 3.318 179.402 176.117 -0.054 0.000 1.075 201 I CA 1.471 62.744 61.300 -0.044 0.000 1.334 201 I CB -1.402 36.580 38.000 -0.029 0.000 1.040 201 I HN 0.289 nan 8.210 nan 0.000 0.405 202 A N 1.331 124.109 122.820 -0.070 0.000 1.849 202 A HA -0.225 4.086 4.320 -0.015 0.000 0.217 202 A C 2.234 179.751 177.584 -0.111 0.000 1.202 202 A CA 1.689 53.683 52.037 -0.072 0.000 0.629 202 A CB -1.044 17.906 19.000 -0.084 0.000 0.834 202 A HN 0.300 nan 8.150 nan 0.000 0.447 203 L N -0.019 121.050 121.223 -0.257 0.000 2.021 203 L HA -0.198 4.133 4.340 -0.015 0.000 0.215 203 L C 2.791 179.463 176.870 -0.329 0.000 1.074 203 L CA 2.549 57.048 54.840 -0.568 0.000 0.760 203 L CB -1.607 39.834 42.059 -1.029 0.000 0.889 203 L HN 0.450 nan 8.230 nan 0.000 0.433 204 T N -1.283 113.172 114.554 -0.164 0.000 2.684 204 T HA -0.266 4.075 4.350 -0.015 0.000 0.267 204 T C 1.895 176.658 174.700 0.105 0.000 1.036 204 T CA 1.538 63.644 62.100 0.009 0.000 1.148 204 T CB -0.191 68.673 68.868 -0.006 0.000 0.863 204 T HN 0.408 nan 8.240 nan 0.000 0.436 205 Q N -0.333 119.501 119.800 0.057 0.000 2.030 205 Q HA -0.193 4.138 4.340 -0.015 0.000 0.204 205 Q C 2.270 178.337 176.000 0.111 0.000 0.986 205 Q CA 1.858 57.707 55.803 0.076 0.000 0.843 205 Q CB -0.289 28.478 28.738 0.048 0.000 0.904 205 Q HN 0.614 nan 8.270 nan 0.000 0.420 206 H N -0.271 118.823 119.070 0.040 0.000 2.289 206 H HA -0.249 4.298 4.556 -0.015 0.000 0.294 206 H C 1.794 177.218 175.328 0.160 0.000 1.095 206 H CA 2.246 58.339 56.048 0.076 0.000 1.256 206 H CB -0.518 29.278 29.762 0.056 0.000 1.359 206 H HN 0.365 nan 8.280 nan 0.000 0.487 207 Y N 0.145 120.500 120.300 0.092 0.000 2.114 207 Y HA -0.282 4.259 4.550 -0.015 0.000 0.282 207 Y C 2.994 178.894 175.900 -0.001 0.000 1.165 207 Y CA 2.107 60.275 58.100 0.113 0.000 1.148 207 Y CB -0.838 37.799 38.460 0.296 0.000 0.972 207 Y HN 0.299 nan 8.280 nan 0.000 0.504 208 S N -0.295 115.507 115.700 0.170 0.000 2.343 208 S HA -0.302 4.159 4.470 -0.015 0.000 0.219 208 S C 2.117 176.668 174.600 -0.080 0.000 1.033 208 S CA 1.674 59.909 58.200 0.058 0.000 1.014 208 S CB -0.688 62.572 63.200 0.100 0.000 0.915 208 S HN 0.732 nan 8.310 nan 0.000 0.435 209 E N 0.424 120.573 120.200 -0.084 0.000 2.097 209 E HA -0.219 4.122 4.350 -0.015 0.000 0.196 209 E C 2.160 178.636 176.600 -0.207 0.000 1.000 209 E CA 1.720 58.045 56.400 -0.126 0.000 0.804 209 E CB -0.409 29.237 29.700 -0.091 0.000 0.740 209 E HN 0.589 nan 8.360 nan 0.000 0.454 210 L N 0.673 121.723 121.223 -0.287 0.000 2.109 210 L HA -0.037 4.293 4.340 -0.015 0.000 0.207 210 L C 2.438 179.189 176.870 -0.197 0.000 1.086 210 L CA 2.431 57.128 54.840 -0.238 0.000 0.760 210 L CB -1.233 40.645 42.059 -0.301 0.000 0.910 210 L HN 0.228 nan 8.230 nan 0.000 0.437 211 T N -3.260 111.115 114.554 -0.298 0.000 3.072 211 T HA -0.070 4.271 4.350 -0.015 0.000 0.266 211 T C 1.674 176.266 174.700 -0.180 0.000 1.127 211 T CA 1.157 63.093 62.100 -0.273 0.000 1.107 211 T CB -0.749 67.866 68.868 -0.423 0.000 0.910 211 T HN 0.515 nan 8.240 nan 0.000 0.513 212 N N 1.333 119.922 118.700 -0.185 0.000 2.182 212 N HA 0.125 4.856 4.740 -0.015 0.000 0.186 212 N C 1.722 177.104 175.510 -0.215 0.000 1.036 212 N CA 1.080 54.033 53.050 -0.161 0.000 0.850 212 N CB -0.354 38.049 38.487 -0.140 0.000 1.010 212 N HN 0.420 nan 8.380 nan 0.000 0.432 213 I N -0.641 119.727 120.570 -0.337 0.000 2.076 213 I HA -0.260 3.901 4.170 -0.015 0.000 0.237 213 I C 0.883 176.650 176.117 -0.582 0.000 1.059 213 I CA 1.451 62.397 61.300 -0.590 0.000 1.317 213 I CB -0.401 36.985 38.000 -1.025 0.000 1.037 213 I HN 0.105 nan 8.210 nan 0.000 0.398 214 F N 0.297 120.194 119.950 -0.087 0.000 2.664 214 F HA 0.283 4.801 4.527 -0.015 0.000 0.303 214 F C 2.132 177.885 175.800 -0.077 0.000 1.092 214 F CA -0.010 57.945 58.000 -0.075 0.000 1.305 214 F CB -0.379 38.581 39.000 -0.066 0.000 1.054 214 F HN -0.039 nan 8.300 nan 0.000 0.565 215 G N -0.125 108.685 108.800 0.017 0.000 2.470 215 G HA2 -0.243 3.708 3.960 -0.015 0.000 0.220 215 G HA3 -0.243 3.708 3.960 -0.015 0.000 0.220 215 G C 1.510 176.411 174.900 0.002 0.000 1.121 215 G CA 0.894 45.986 45.100 -0.013 0.000 0.766 215 G HN 0.292 nan 8.290 nan 0.000 0.553 216 D N 0.291 120.693 120.400 0.004 0.000 2.162 216 D HA -0.062 4.569 4.640 -0.015 0.000 0.203 216 D C 2.050 178.361 176.300 0.020 0.000 0.967 216 D CA 0.448 54.450 54.000 0.003 0.000 0.840 216 D CB 0.026 40.819 40.800 -0.010 0.000 0.972 216 D HN 0.148 nan 8.370 nan 0.000 0.482 217 N N 0.796 119.525 118.700 0.047 0.000 2.135 217 N HA -0.067 4.664 4.740 -0.015 0.000 0.186 217 N C 2.191 177.720 175.510 0.032 0.000 1.027 217 N CA 0.442 53.520 53.050 0.047 0.000 0.849 217 N CB -0.201 38.337 38.487 0.085 0.000 1.002 217 N HN 0.295 nan 8.380 nan 0.000 0.425 218 I N 0.810 121.405 120.570 0.042 0.000 2.657 218 I HA -0.148 4.013 4.170 -0.015 0.000 0.261 218 I C 1.942 178.073 176.117 0.022 0.000 1.212 218 I CA 0.936 62.252 61.300 0.027 0.000 1.453 218 I CB -0.292 37.726 38.000 0.030 0.000 1.092 218 I HN 0.150 nan 8.210 nan 0.000 0.452 219 G N -0.828 107.983 108.800 0.018 0.000 3.088 219 G HA2 0.163 4.114 3.960 -0.015 0.000 0.217 219 G HA3 0.163 4.114 3.960 -0.015 0.000 0.217 219 G C 0.383 175.290 174.900 0.012 0.000 1.159 219 G CA 0.032 45.142 45.100 0.015 0.000 0.760 219 G HN 0.275 nan 8.290 nan 0.000 0.550 220 S N -0.857 114.849 115.700 0.009 0.000 2.667 220 S HA 0.516 4.977 4.470 -0.015 0.000 0.292 220 S C 0.237 174.839 174.600 0.003 0.000 1.126 220 S CA -0.740 57.463 58.200 0.005 0.000 0.881 220 S CB 1.579 64.780 63.200 0.003 0.000 1.132 220 S HN 0.258 nan 8.310 nan 0.000 0.492 221 L N -0.763 120.459 121.223 -0.001 0.000 3.069 221 L HA 0.440 4.771 4.340 -0.015 0.000 0.271 221 L C 0.311 177.177 176.870 -0.006 0.000 1.201 221 L CA -0.548 54.288 54.840 -0.005 0.000 1.015 221 L CB -0.344 41.710 42.059 -0.010 0.000 1.371 221 L HN 0.672 nan 8.230 nan 0.000 0.574 222 Q N 0.740 120.538 119.800 -0.004 0.000 2.205 222 Q HA 0.410 4.741 4.340 -0.015 0.000 0.249 222 Q C -0.780 175.220 176.000 -0.001 0.000 0.948 222 Q CA -0.676 55.125 55.803 -0.002 0.000 0.895 222 Q CB 1.478 30.215 28.738 -0.001 0.000 1.249 222 Q HN 0.265 nan 8.270 nan 0.000 0.458 223 E N 1.234 121.435 120.200 0.002 0.000 2.398 223 E HA 0.123 4.464 4.350 -0.015 0.000 0.263 223 E C -0.654 175.949 176.600 0.005 0.000 1.046 223 E CA 0.134 56.537 56.400 0.005 0.000 0.908 223 E CB 0.727 30.437 29.700 0.016 0.000 0.963 223 E HN 0.330 nan 8.360 nan 0.000 0.431 224 K N 0.552 120.955 120.400 0.004 0.000 2.480 224 K HA 0.398 4.709 4.320 -0.015 0.000 0.258 224 K C 0.049 176.648 176.600 -0.000 0.000 0.990 224 K CA -0.760 55.528 56.287 0.002 0.000 0.857 224 K CB 1.874 34.377 32.500 0.005 0.000 1.384 224 K HN 0.638 nan 8.250 nan 0.000 0.446 225 G N 0.429 109.223 108.800 -0.009 0.000 2.570 225 G HA2 0.398 4.349 3.960 -0.015 0.000 0.276 225 G HA3 0.398 4.349 3.960 -0.015 0.000 0.276 225 G C -0.571 174.325 174.900 -0.006 0.000 1.346 225 G CA -0.379 44.711 45.100 -0.017 0.000 1.034 225 G HN 0.507 nan 8.290 nan 0.000 0.512 226 I N -0.939 119.624 120.570 -0.013 0.000 2.569 226 I HA 0.372 4.533 4.170 -0.015 0.000 0.290 226 I C -0.194 175.906 176.117 -0.028 0.000 1.088 226 I CA -0.890 60.411 61.300 0.002 0.000 1.047 226 I CB 1.795 39.810 38.000 0.025 0.000 1.237 226 I HN 0.424 nan 8.210 nan 0.000 0.421 227 K N 5.649 126.013 120.400 -0.061 0.000 2.276 227 K HA 0.192 4.503 4.320 -0.015 0.000 0.259 227 K C 0.882 177.441 176.600 -0.069 0.000 1.001 227 K CA -0.336 55.901 56.287 -0.084 0.000 0.927 227 K CB 0.930 33.347 32.500 -0.139 0.000 0.969 227 K HN 0.606 nan 8.250 nan 0.000 0.490 228 L N 1.414 122.608 121.223 -0.048 0.000 1.989 228 L HA -0.281 4.050 4.340 -0.015 0.000 0.211 228 L C 2.561 179.406 176.870 -0.043 0.000 1.071 228 L CA 1.402 56.235 54.840 -0.012 0.000 0.749 228 L CB -0.476 41.588 42.059 0.008 0.000 0.890 228 L HN 0.670 nan 8.230 nan 0.000 0.431 229 Q N -0.188 119.557 119.800 -0.092 0.000 2.439 229 Q HA -0.100 4.231 4.340 -0.015 0.000 0.211 229 Q C 1.887 177.769 176.000 -0.197 0.000 0.978 229 Q CA 1.425 57.148 55.803 -0.134 0.000 0.897 229 Q CB -0.507 28.140 28.738 -0.151 0.000 0.956 229 Q HN 0.537 nan 8.270 nan 0.000 0.483 230 G N 1.610 110.289 108.800 -0.201 0.000 2.441 230 G HA2 -0.029 3.922 3.960 -0.015 0.000 0.212 230 G HA3 -0.029 3.922 3.960 -0.015 0.000 0.212 230 G C 1.490 176.389 174.900 -0.001 0.000 1.164 230 G CA -0.033 44.963 45.100 -0.172 0.000 0.811 230 G HN 0.256 nan 8.290 nan 0.000 0.535 231 I N 1.742 122.297 120.570 -0.026 0.000 2.567 231 I HA -0.146 4.015 4.170 -0.015 0.000 0.257 231 I C 3.128 179.144 176.117 -0.168 0.000 1.184 231 I CA 0.601 61.889 61.300 -0.019 0.000 1.451 231 I CB -0.039 37.993 38.000 0.054 0.000 1.089 231 I HN 0.238 nan 8.210 nan 0.000 0.441 232 A N 0.650 123.339 122.820 -0.219 0.000 2.084 232 A HA -0.214 4.097 4.320 -0.015 0.000 0.221 232 A C 2.159 179.463 177.584 -0.467 0.000 1.161 232 A CA 2.111 53.889 52.037 -0.432 0.000 0.653 232 A CB -0.545 18.326 19.000 -0.215 0.000 0.802 232 A HN 0.541 nan 8.150 nan 0.000 0.457 233 S N -1.534 114.030 115.700 -0.227 0.000 2.582 233 S HA 0.454 4.915 4.470 -0.015 0.000 0.234 233 S C 1.015 175.551 174.600 -0.107 0.000 0.961 233 S CA -0.066 58.053 58.200 -0.134 0.000 0.953 233 S CB -0.106 63.096 63.200 0.004 0.000 0.800 233 S HN 0.412 nan 8.310 nan 0.000 0.471 234 L N -0.106 121.024 121.223 -0.156 0.000 2.425 234 L HA 0.356 4.687 4.340 -0.015 0.000 0.215 234 L C 0.577 177.459 176.870 0.022 0.000 1.065 234 L CA -0.037 54.775 54.840 -0.046 0.000 0.842 234 L CB -0.016 42.032 42.059 -0.019 0.000 1.033 234 L HN 0.528 nan 8.230 nan 0.000 0.474 235 Y N -2.632 117.679 120.300 0.019 0.000 2.621 235 Y HA 0.716 5.257 4.550 -0.015 0.000 0.334 235 Y C 0.955 176.871 175.900 0.027 0.000 1.074 235 Y CA -1.065 57.050 58.100 0.026 0.000 1.149 235 Y CB 0.749 39.226 38.460 0.029 0.000 1.302 235 Y HN -0.217 nan 8.280 nan 0.000 0.501 236 R N -0.161 120.544 120.500 0.342 0.000 2.140 236 R HA 0.217 4.548 4.340 -0.015 0.000 0.200 236 R C 1.385 177.869 176.300 0.306 0.000 1.069 236 R CA 1.754 57.984 56.100 0.218 0.000 1.088 236 R CB -1.315 29.059 30.300 0.124 0.000 1.012 236 R HN 0.951 nan 8.270 nan 0.000 0.500 237 T N -3.008 111.709 114.554 0.272 0.000 3.321 237 T HA 0.199 4.540 4.350 -0.015 0.000 0.251 237 T C 0.352 175.037 174.700 -0.026 0.000 0.999 237 T CA -0.125 62.061 62.100 0.144 0.000 1.186 237 T CB -0.274 68.636 68.868 0.071 0.000 1.163 237 T HN 0.224 nan 8.240 nan 0.000 0.399 238 N N 1.643 120.292 118.700 -0.086 0.000 2.529 238 N HA 0.390 5.121 4.740 -0.015 0.000 0.278 238 N C 0.796 175.995 175.510 -0.518 0.000 1.146 238 N CA -0.219 52.703 53.050 -0.215 0.000 0.980 238 N CB 1.285 39.717 38.487 -0.092 0.000 1.124 238 N HN 0.358 nan 8.380 nan 0.000 0.458 239 I N 0.518 120.689 120.570 -0.665 0.000 3.444 239 I HA -0.117 4.044 4.170 -0.015 0.000 0.287 239 I C 1.527 177.512 176.117 -0.221 0.000 1.302 239 I CA 0.573 61.373 61.300 -0.834 0.000 1.368 239 I CB -0.264 37.450 38.000 -0.476 0.000 1.048 239 I HN 0.434 nan 8.210 nan 0.000 0.487 240 T N 0.448 114.935 114.554 -0.112 0.000 2.896 240 T HA -0.076 4.264 4.350 -0.015 0.000 0.263 240 T C 1.456 176.234 174.700 0.131 0.000 1.050 240 T CA 0.916 63.045 62.100 0.050 0.000 1.140 240 T CB -0.129 68.753 68.868 0.024 0.000 0.877 240 T HN 0.418 nan 8.240 nan 0.000 0.457 241 E N 1.000 121.256 120.200 0.092 0.000 2.533 241 E HA -0.040 4.301 4.350 -0.015 0.000 0.203 241 E C 1.407 178.114 176.600 0.178 0.000 1.101 241 E CA -0.071 56.414 56.400 0.142 0.000 0.894 241 E CB -0.140 29.644 29.700 0.140 0.000 0.843 241 E HN 0.358 nan 8.360 nan 0.000 0.552 242 I N 0.537 121.221 120.570 0.190 0.000 2.142 242 I HA -0.194 3.967 4.170 -0.015 0.000 0.240 242 I C 0.950 177.052 176.117 -0.025 0.000 1.078 242 I CA 1.193 62.546 61.300 0.089 0.000 1.343 242 I CB -0.644 37.375 38.000 0.031 0.000 1.046 242 I HN 0.009 nan 8.210 nan 0.000 0.405 243 F N 1.047 121.033 119.950 0.060 0.000 2.427 243 F HA 0.145 4.663 4.527 -0.015 0.000 0.352 243 F C 1.404 177.234 175.800 0.050 0.000 1.100 243 F CA -0.168 57.860 58.000 0.047 0.000 1.191 243 F CB 0.631 39.652 39.000 0.034 0.000 1.128 243 F HN -0.030 nan 8.300 nan 0.000 0.533 244 T N -2.964 111.710 114.554 0.201 0.000 3.252 244 T HA 0.171 4.512 4.350 -0.015 0.000 0.286 244 T C 0.614 175.389 174.700 0.124 0.000 1.013 244 T CA -0.100 62.084 62.100 0.139 0.000 0.914 244 T CB -0.083 68.843 68.868 0.098 0.000 1.131 244 T HN 0.577 nan 8.240 nan 0.000 0.529 245 T N 0.450 115.094 114.554 0.151 0.000 2.986 245 T HA 0.381 4.722 4.350 -0.015 0.000 0.264 245 T C 0.364 175.123 174.700 0.098 0.000 0.964 245 T CA -0.114 62.056 62.100 0.115 0.000 0.895 245 T CB 0.582 69.523 68.868 0.122 0.000 1.163 245 T HN 0.398 nan 8.240 nan 0.000 0.517 246 S N 0.175 115.940 115.700 0.107 0.000 2.998 246 S HA 0.690 5.151 4.470 -0.015 0.000 0.321 246 S C -0.992 173.624 174.600 0.026 0.000 1.171 246 S CA -0.721 57.504 58.200 0.042 0.000 0.882 246 S CB 1.722 64.917 63.200 -0.008 0.000 1.301 246 S HN 0.065 nan 8.310 nan 0.000 0.629 247 T N 1.401 115.933 114.554 -0.037 0.000 2.879 247 T HA 0.661 5.002 4.350 -0.015 0.000 0.290 247 T C -1.382 173.243 174.700 -0.124 0.000 0.993 247 T CA -0.386 61.690 62.100 -0.040 0.000 0.975 247 T CB 1.399 70.256 68.868 -0.019 0.000 0.981 247 T HN 0.354 nan 8.240 nan 0.000 0.439 248 V N 3.143 122.974 119.914 -0.138 0.000 2.588 248 V HA 0.351 4.462 4.120 -0.015 0.000 0.304 248 V C -0.086 175.971 176.094 -0.063 0.000 1.042 248 V CA -1.140 61.034 62.300 -0.211 0.000 0.877 248 V CB 2.012 33.517 31.823 -0.531 0.000 0.996 248 V HN 0.846 nan 8.190 nan 0.000 0.425 249 D N 3.229 123.614 120.400 -0.024 0.000 2.506 249 D HA 0.093 4.724 4.640 -0.015 0.000 0.234 249 D C 1.287 177.665 176.300 0.129 0.000 1.143 249 D CA 0.745 54.798 54.000 0.088 0.000 0.871 249 D CB 1.117 41.998 40.800 0.136 0.000 1.190 249 D HN 0.725 nan 8.370 nan 0.000 0.459 250 K N 2.550 123.045 120.400 0.159 0.000 2.103 250 K HA -0.210 4.101 4.320 -0.015 0.000 0.207 250 K C 1.905 178.536 176.600 0.052 0.000 1.048 250 K CA 1.436 57.751 56.287 0.047 0.000 0.930 250 K CB -1.262 31.204 32.500 -0.057 0.000 0.716 250 K HN 0.482 nan 8.250 nan 0.000 0.444 251 Y N 1.557 121.882 120.300 0.041 0.000 2.207 251 Y HA -0.151 4.390 4.550 -0.015 0.000 0.287 251 Y C 2.301 178.267 175.900 0.111 0.000 1.156 251 Y CA 1.648 59.800 58.100 0.087 0.000 1.182 251 Y CB -0.449 38.046 38.460 0.058 0.000 0.979 251 Y HN 0.406 nan 8.280 nan 0.000 0.521 252 D N -0.388 120.142 120.400 0.216 0.000 2.123 252 D HA -0.110 4.521 4.640 -0.015 0.000 0.200 252 D C 2.091 178.465 176.300 0.124 0.000 0.976 252 D CA 1.386 55.459 54.000 0.122 0.000 0.831 252 D CB -0.398 40.412 40.800 0.018 0.000 0.974 252 D HN 0.470 nan 8.370 nan 0.000 0.469 253 I N -1.352 119.305 120.570 0.144 0.000 2.546 253 I HA -0.139 4.022 4.170 -0.015 0.000 0.255 253 I C 2.058 178.262 176.117 0.145 0.000 1.163 253 I CA 1.015 62.422 61.300 0.179 0.000 1.457 253 I CB -0.716 37.404 38.000 0.200 0.000 1.092 253 I HN -0.062 nan 8.210 nan 0.000 0.434 254 Y N 2.111 122.429 120.300 0.030 0.000 2.224 254 Y HA -0.196 4.345 4.550 -0.015 0.000 0.289 254 Y C 2.060 178.008 175.900 0.079 0.000 1.146 254 Y CA 1.797 59.898 58.100 0.002 0.000 1.182 254 Y CB -0.526 37.865 38.460 -0.115 0.000 0.983 254 Y HN 0.248 nan 8.280 nan 0.000 0.524 255 D N -0.093 120.297 120.400 -0.018 0.000 2.219 255 D HA -0.130 4.501 4.640 -0.015 0.000 0.205 255 D C 2.220 178.516 176.300 -0.007 0.000 0.970 255 D CA 1.107 55.094 54.000 -0.023 0.000 0.851 255 D CB -0.056 40.793 40.800 0.081 0.000 0.943 255 D HN 0.406 nan 8.370 nan 0.000 0.488 256 L N 0.212 121.447 121.223 0.021 0.000 2.109 256 L HA -0.064 4.267 4.340 -0.015 0.000 0.207 256 L C 2.488 179.351 176.870 -0.010 0.000 1.086 256 L CA 0.473 55.330 54.840 0.027 0.000 0.760 256 L CB -0.181 41.932 42.059 0.089 0.000 0.910 256 L HN 0.025 nan 8.230 nan 0.000 0.437 257 L N -1.411 119.796 121.223 -0.027 0.000 2.049 257 L HA -0.174 4.157 4.340 -0.015 0.000 0.203 257 L C 2.457 179.279 176.870 -0.080 0.000 1.074 257 L CA 1.021 55.839 54.840 -0.036 0.000 0.749 257 L CB -0.608 41.455 42.059 0.005 0.000 0.907 257 L HN 0.118 nan 8.230 nan 0.000 0.439 258 F N 0.766 120.489 119.950 -0.379 0.000 2.411 258 F HA -0.213 4.305 4.527 -0.015 0.000 0.299 258 F C 1.916 177.597 175.800 -0.198 0.000 1.077 258 F CA 1.443 59.219 58.000 -0.373 0.000 1.439 258 F CB -0.166 38.452 39.000 -0.637 0.000 1.085 258 F HN -0.019 nan 8.300 nan 0.000 0.564 259 T N -1.138 113.348 114.554 -0.113 0.000 2.975 259 T HA 0.052 4.393 4.350 -0.015 0.000 0.257 259 T C 0.192 174.830 174.700 -0.103 0.000 1.003 259 T CA 0.122 62.152 62.100 -0.117 0.000 0.932 259 T CB 0.073 68.920 68.868 -0.034 0.000 1.087 259 T HN 0.216 nan 8.240 nan 0.000 0.512 260 E N 1.169 121.316 120.200 -0.088 0.000 2.297 260 E HA -0.175 4.165 4.350 -0.015 0.000 0.228 260 E C 0.600 177.170 176.600 -0.051 0.000 1.213 260 E CA 0.265 56.624 56.400 -0.068 0.000 0.712 260 E CB -1.642 28.009 29.700 -0.081 0.000 1.202 260 E HN 0.338 nan 8.360 nan 0.000 0.376 261 S N -0.370 115.303 115.700 -0.045 0.000 2.446 261 S HA 0.052 4.513 4.470 -0.015 0.000 0.225 261 S C 1.082 175.642 174.600 -0.067 0.000 1.016 261 S CA 0.095 58.269 58.200 -0.043 0.000 0.943 261 S CB 0.172 63.348 63.200 -0.040 0.000 0.786 261 S HN 0.314 nan 8.310 nan 0.000 0.508 262 I N 3.247 123.776 120.570 -0.069 0.000 2.662 262 I HA 0.022 4.183 4.170 -0.015 0.000 0.285 262 I C 0.079 176.161 176.117 -0.058 0.000 1.161 262 I CA 0.265 61.511 61.300 -0.090 0.000 1.415 262 I CB 0.221 38.172 38.000 -0.083 0.000 1.385 262 I HN -0.028 nan 8.210 nan 0.000 0.552 263 K N 6.499 126.870 120.400 -0.049 0.000 2.208 263 K HA 0.703 5.014 4.320 -0.015 0.000 0.247 263 K C -0.751 175.838 176.600 -0.020 0.000 0.953 263 K CA -0.730 55.549 56.287 -0.014 0.000 0.837 263 K CB 2.795 35.309 32.500 0.023 0.000 1.131 263 K HN 0.449 nan 8.250 nan 0.000 0.431 264 V N -1.081 118.825 119.914 -0.013 0.000 2.638 264 V HA 0.649 4.760 4.120 -0.015 0.000 0.306 264 V C -0.650 175.429 176.094 -0.026 0.000 1.052 264 V CA -1.034 61.249 62.300 -0.029 0.000 0.885 264 V CB 1.984 33.799 31.823 -0.013 0.000 0.999 264 V HN 0.783 nan 8.190 nan 0.000 0.424 265 R N 3.231 123.702 120.500 -0.048 0.000 2.599 265 R HA 0.767 5.098 4.340 -0.015 0.000 0.295 265 R C -1.263 175.006 176.300 -0.052 0.000 0.963 265 R CA -0.670 55.407 56.100 -0.038 0.000 0.883 265 R CB 2.287 32.568 30.300 -0.032 0.000 1.171 265 R HN 0.784 nan 8.270 nan 0.000 0.450 266 V N 6.655 126.548 119.914 -0.034 0.000 2.479 266 V HA 0.054 4.165 4.120 -0.015 0.000 0.281 266 V C 1.280 177.361 176.094 -0.021 0.000 1.031 266 V CA 0.384 62.665 62.300 -0.032 0.000 1.038 266 V CB 0.900 32.713 31.823 -0.017 0.000 0.981 266 V HN 0.846 nan 8.190 nan 0.000 0.478 267 I N 2.215 122.775 120.570 -0.016 0.000 2.681 267 I HA 0.208 4.369 4.170 -0.015 0.000 0.247 267 I C 0.547 176.680 176.117 0.028 0.000 1.091 267 I CA 0.799 62.106 61.300 0.010 0.000 1.442 267 I CB 0.494 38.516 38.000 0.037 0.000 1.219 267 I HN 0.688 nan 8.210 nan 0.000 0.451 268 D N -0.785 119.638 120.400 0.039 0.000 2.756 268 D HA 0.458 5.089 4.640 -0.015 0.000 0.226 268 D C -1.310 175.022 176.300 0.053 0.000 1.186 268 D CA -0.221 53.809 54.000 0.051 0.000 0.845 268 D CB 2.463 43.297 40.800 0.057 0.000 1.610 268 D HN -0.239 nan 8.370 nan 0.000 0.465 269 V N 2.359 122.326 119.914 0.088 0.000 2.604 269 V HA 0.484 4.595 4.120 -0.015 0.000 0.305 269 V C -0.833 175.292 176.094 0.051 0.000 1.043 269 V CA -0.799 61.548 62.300 0.078 0.000 0.888 269 V CB 1.896 33.794 31.823 0.125 0.000 0.995 269 V HN 0.592 nan 8.190 nan 0.000 0.429 270 D N 3.288 123.672 120.400 -0.027 0.000 2.453 270 D HA 0.370 5.001 4.640 -0.015 0.000 0.238 270 D C 0.618 176.782 176.300 -0.226 0.000 1.088 270 D CA -0.337 53.604 54.000 -0.099 0.000 0.854 270 D CB 1.733 42.494 40.800 -0.065 0.000 1.076 270 D HN 0.410 nan 8.370 nan 0.000 0.533 271 L N 3.106 124.121 121.223 -0.347 0.000 2.465 271 L HA 0.026 4.357 4.340 -0.015 0.000 0.224 271 L C 1.746 178.228 176.870 -0.648 0.000 1.145 271 L CA 0.569 55.105 54.840 -0.507 0.000 0.834 271 L CB -0.137 41.603 42.059 -0.531 0.000 0.944 271 L HN 0.396 nan 8.230 nan 0.000 0.451 272 N N -0.671 117.770 118.700 -0.431 0.000 2.333 272 N HA -0.078 4.653 4.740 -0.015 0.000 0.183 272 N C 0.795 176.144 175.510 -0.269 0.000 1.030 272 N CA 0.601 53.447 53.050 -0.340 0.000 0.867 272 N CB 0.336 38.721 38.487 -0.170 0.000 1.027 272 N HN 0.231 nan 8.380 nan 0.000 0.435 273 D N 0.220 120.527 120.400 -0.155 0.000 2.340 273 D HA 0.006 4.637 4.640 -0.015 0.000 0.220 273 D C -0.558 175.809 176.300 0.111 0.000 1.039 273 D CA 0.127 54.130 54.000 0.006 0.000 0.866 273 D CB 0.100 40.904 40.800 0.007 0.000 0.913 273 D HN 0.231 nan 8.370 nan 0.000 0.523 274 Y N 0.925 121.214 120.300 -0.019 0.000 2.971 274 Y HA -0.298 4.243 4.550 -0.015 0.000 0.174 274 Y C 0.495 176.399 175.900 0.007 0.000 1.576 274 Y CA 0.151 58.243 58.100 -0.013 0.000 0.872 274 Y CB -1.902 36.554 38.460 -0.008 0.000 1.396 274 Y HN -0.041 nan 8.280 nan 0.000 0.377 275 S N 0.254 115.999 115.700 0.074 0.000 2.595 275 S HA 0.936 5.397 4.470 -0.015 0.000 0.281 275 S C -0.748 173.865 174.600 0.023 0.000 1.117 275 S CA -1.038 57.196 58.200 0.056 0.000 0.873 275 S CB 2.724 65.945 63.200 0.035 0.000 1.108 275 S HN 0.313 nan 8.310 nan 0.000 0.477 276 I N 1.674 122.245 120.570 0.003 0.000 2.533 276 I HA 0.378 4.539 4.170 -0.015 0.000 0.290 276 I C -0.669 175.421 176.117 -0.044 0.000 1.056 276 I CA -0.576 60.712 61.300 -0.019 0.000 1.057 276 I CB 2.662 40.638 38.000 -0.040 0.000 1.240 276 I HN 0.672 nan 8.210 nan 0.000 0.423 277 T N 6.768 121.312 114.554 -0.016 0.000 2.795 277 T HA 0.643 4.984 4.350 -0.015 0.000 0.282 277 T C -0.270 174.413 174.700 -0.030 0.000 0.980 277 T CA -0.476 61.626 62.100 0.003 0.000 1.012 277 T CB 1.056 69.966 68.868 0.070 0.000 0.936 277 T HN 0.266 nan 8.240 nan 0.000 0.457 278 L N 2.665 123.845 121.223 -0.072 0.000 2.381 278 L HA 0.532 4.863 4.340 -0.015 0.000 0.268 278 L C -0.103 176.659 176.870 -0.180 0.000 0.997 278 L CA -0.929 53.835 54.840 -0.127 0.000 0.818 278 L CB 2.397 44.338 42.059 -0.197 0.000 1.310 278 L HN 0.555 nan 8.230 nan 0.000 0.416 279 Q N 2.161 121.819 119.800 -0.236 0.000 2.347 279 Q HA 0.457 4.788 4.340 -0.015 0.000 0.262 279 Q C -1.517 174.340 176.000 -0.238 0.000 0.980 279 Q CA -0.603 54.957 55.803 -0.406 0.000 0.867 279 Q CB 1.986 30.435 28.738 -0.481 0.000 1.242 279 Q HN 0.463 nan 8.270 nan 0.000 0.453 280 V N 3.329 123.114 119.914 -0.216 0.000 2.406 280 V HA 0.519 4.630 4.120 -0.015 0.000 0.272 280 V C 0.402 176.430 176.094 -0.111 0.000 1.043 280 V CA -0.273 61.949 62.300 -0.131 0.000 0.915 280 V CB 0.834 32.589 31.823 -0.112 0.000 0.988 280 V HN 0.809 nan 8.190 nan 0.000 0.466 281 R N 5.617 126.079 120.500 -0.063 0.000 2.204 281 R HA 0.697 5.027 4.340 -0.015 0.000 0.341 281 R C -0.764 175.446 176.300 -0.149 0.000 1.035 281 R CA -0.353 55.747 56.100 -0.000 0.000 0.887 281 R CB 0.199 30.599 30.300 0.167 0.000 1.114 281 R HN 0.769 nan 8.270 nan 0.000 0.473 282 L N 5.849 126.959 121.223 -0.189 0.000 2.272 282 L HA 0.379 4.710 4.340 -0.015 0.000 0.284 282 L C -1.931 174.816 176.870 -0.205 0.000 1.045 282 L CA -2.103 52.566 54.840 -0.285 0.000 0.842 282 L CB 2.053 43.797 42.059 -0.525 0.000 1.224 282 L HN 0.545 nan 8.230 nan 0.000 0.430 283 P HA 0.076 nan 4.420 nan 0.000 0.271 283 P C -0.857 176.476 177.300 0.056 0.000 1.218 283 P CA -0.086 62.759 63.100 -0.425 0.000 0.780 283 P CB 1.274 32.683 31.700 -0.485 0.000 0.901 284 L N 3.682 124.927 121.223 0.037 0.000 2.318 284 L HA 0.362 4.693 4.340 -0.015 0.000 0.277 284 L C 0.378 177.250 176.870 0.003 0.000 1.008 284 L CA -0.821 54.020 54.840 0.003 0.000 0.846 284 L CB 0.902 42.981 42.059 0.033 0.000 1.220 284 L HN 0.217 nan 8.230 nan 0.000 0.423 285 L N 3.066 124.272 121.223 -0.028 0.000 2.367 285 L HA 0.334 4.665 4.340 -0.015 0.000 0.275 285 L C 0.306 177.177 176.870 0.000 0.000 1.129 285 L CA -0.064 54.778 54.840 0.003 0.000 0.839 285 L CB 0.805 42.870 42.059 0.009 0.000 1.133 285 L HN 0.502 nan 8.230 nan 0.000 0.453 286 T N 2.394 116.962 114.554 0.022 0.000 2.795 286 T HA 0.394 4.735 4.350 -0.015 0.000 0.282 286 T C -0.156 174.555 174.700 0.017 0.000 0.980 286 T CA -0.552 61.558 62.100 0.017 0.000 1.012 286 T CB 1.413 70.299 68.868 0.030 0.000 0.936 286 T HN 0.325 nan 8.240 nan 0.000 0.457 287 R N 3.407 123.911 120.500 0.006 0.000 2.255 287 R HA 0.447 4.778 4.340 -0.015 0.000 0.326 287 R C -0.734 175.569 176.300 0.005 0.000 0.986 287 R CA -0.767 55.337 56.100 0.006 0.000 0.847 287 R CB -0.027 30.270 30.300 -0.005 0.000 1.111 287 R HN 0.586 nan 8.270 nan 0.000 0.452 288 L N 5.564 126.793 121.223 0.010 0.000 2.397 288 L HA 0.301 4.632 4.340 -0.015 0.000 0.271 288 L C 0.212 177.081 176.870 -0.001 0.000 1.148 288 L CA -0.499 54.345 54.840 0.007 0.000 0.825 288 L CB 0.511 42.577 42.059 0.012 0.000 1.117 288 L HN 0.460 nan 8.230 nan 0.000 0.456 289 L N 3.016 124.236 121.223 -0.004 0.000 2.399 289 L HA 0.257 4.588 4.340 -0.015 0.000 0.266 289 L C 1.055 177.918 176.870 -0.012 0.000 1.114 289 L CA -0.593 54.240 54.840 -0.012 0.000 0.804 289 L CB 0.464 42.514 42.059 -0.015 0.000 1.146 289 L HN 0.711 nan 8.230 nan 0.000 0.451 290 N N -0.312 118.377 118.700 -0.017 0.000 2.653 290 N HA -0.169 4.562 4.740 -0.015 0.000 0.248 290 N C -0.126 175.381 175.510 -0.005 0.000 1.154 290 N CA 1.249 54.289 53.050 -0.017 0.000 0.780 290 N CB -1.173 37.295 38.487 -0.031 0.000 1.155 290 N HN 0.709 nan 8.380 nan 0.000 0.570 291 T N 1.400 115.953 114.554 -0.001 0.000 2.845 291 T HA 0.408 4.749 4.350 -0.015 0.000 0.288 291 T C 0.296 175.001 174.700 0.009 0.000 0.980 291 T CA -0.334 61.771 62.100 0.009 0.000 1.071 291 T CB 2.263 71.135 68.868 0.006 0.000 0.941 291 T HN -0.035 nan 8.240 nan 0.000 0.487 292 Q N 2.029 121.849 119.800 0.033 0.000 2.315 292 Q HA 0.481 4.812 4.340 -0.015 0.000 0.273 292 Q C -1.079 174.942 176.000 0.035 0.000 1.053 292 Q CA -0.438 55.366 55.803 0.000 0.000 0.817 292 Q CB 2.884 31.649 28.738 0.045 0.000 1.326 292 Q HN 0.649 nan 8.270 nan 0.000 0.423 293 I N 2.601 123.124 120.570 -0.077 0.000 2.378 293 I HA 0.408 4.569 4.170 -0.015 0.000 0.291 293 I C -0.957 175.146 176.117 -0.023 0.000 0.992 293 I CA -0.820 60.463 61.300 -0.029 0.000 1.154 293 I CB 0.943 38.787 38.000 -0.260 0.000 1.315 293 I HN 0.427 nan 8.210 nan 0.000 0.448 294 Y N 3.701 124.014 120.300 0.023 0.000 2.487 294 Y HA 0.746 5.287 4.550 -0.015 0.000 0.337 294 Y C 0.638 176.572 175.900 0.057 0.000 1.076 294 Y CA -0.839 57.289 58.100 0.047 0.000 1.115 294 Y CB 1.061 39.517 38.460 -0.006 0.000 1.235 294 Y HN 0.567 nan 8.280 nan 0.000 0.468 295 R N 0.902 121.508 120.500 0.178 0.000 2.407 295 R HA 0.827 5.158 4.340 -0.015 0.000 0.303 295 R C -1.149 175.126 176.300 -0.042 0.000 0.981 295 R CA -0.455 55.610 56.100 -0.058 0.000 0.905 295 R CB 0.487 30.787 30.300 0.001 0.000 1.099 295 R HN 0.967 nan 8.270 nan 0.000 0.459 296 V N -0.297 119.542 119.914 -0.125 0.000 2.638 296 V HA 0.687 4.798 4.120 -0.015 0.000 0.306 296 V C -1.217 174.837 176.094 -0.067 0.000 1.052 296 V CA -1.067 61.191 62.300 -0.070 0.000 0.885 296 V CB 2.352 34.134 31.823 -0.069 0.000 0.999 296 V HN 0.850 nan 8.190 nan 0.000 0.424 297 D N 3.255 123.631 120.400 -0.041 0.000 2.342 297 D HA 0.677 5.308 4.640 -0.015 0.000 0.243 297 D C -0.483 175.807 176.300 -0.017 0.000 1.019 297 D CA -0.092 53.897 54.000 -0.019 0.000 0.864 297 D CB 2.337 43.132 40.800 -0.009 0.000 1.315 297 D HN 0.935 nan 8.370 nan 0.000 0.468 298 S N 1.101 116.815 115.700 0.024 0.000 2.500 298 S HA 0.698 5.159 4.470 -0.015 0.000 0.301 298 S C -0.566 174.156 174.600 0.203 0.000 1.092 298 S CA -0.831 57.390 58.200 0.034 0.000 1.030 298 S CB 1.872 65.014 63.200 -0.097 0.000 1.031 298 S HN 0.322 nan 8.310 nan 0.000 0.483 299 I N 2.171 122.863 120.570 0.203 0.000 2.828 299 I HA 0.434 4.595 4.170 -0.015 0.000 0.302 299 I C 0.362 176.716 176.117 0.395 0.000 1.101 299 I CA -0.513 60.933 61.300 0.243 0.000 1.031 299 I CB 2.449 40.507 38.000 0.096 0.000 1.231 299 I HN 1.025 nan 8.210 nan 0.000 0.427 300 S N 6.371 122.291 115.700 0.366 0.000 2.516 300 S HA 0.274 4.735 4.470 -0.015 0.000 0.282 300 S C -0.508 174.308 174.600 0.359 0.000 1.286 300 S CA -0.223 58.216 58.200 0.399 0.000 1.066 300 S CB -0.179 63.119 63.200 0.163 0.000 0.884 300 S HN 0.438 nan 8.310 nan 0.000 0.491 301 Y N 1.321 121.738 120.300 0.195 0.000 2.545 301 Y HA 0.664 5.205 4.550 -0.015 0.000 0.324 301 Y C 0.090 176.103 175.900 0.188 0.000 1.220 301 Y CA -1.533 56.665 58.100 0.163 0.000 1.290 301 Y CB 1.160 39.709 38.460 0.147 0.000 1.355 301 Y HN 0.573 nan 8.280 nan 0.000 0.516 302 N N 1.639 120.463 118.700 0.207 0.000 2.540 302 N HA 0.308 5.039 4.740 -0.015 0.000 0.275 302 N C -1.970 173.630 175.510 0.150 0.000 1.053 302 N CA -0.259 52.848 53.050 0.096 0.000 0.876 302 N CB 1.437 39.970 38.487 0.076 0.000 1.284 302 N HN 0.526 nan 8.380 nan 0.000 0.518 303 I N 3.057 123.721 120.570 0.156 0.000 2.355 303 I HA 0.257 4.418 4.170 -0.015 0.000 0.288 303 I C 1.209 177.414 176.117 0.147 0.000 0.999 303 I CA 0.659 62.055 61.300 0.160 0.000 1.163 303 I CB 0.434 38.526 38.000 0.152 0.000 1.316 303 I HN 0.807 nan 8.210 nan 0.000 0.454 304 Q N 5.856 125.713 119.800 0.095 0.000 1.221 304 Q HA -0.347 3.983 4.340 -0.015 0.000 0.317 304 Q C 0.646 176.682 176.000 0.061 0.000 0.997 304 Q CA 1.868 57.716 55.803 0.075 0.000 0.719 304 Q CB -1.449 27.345 28.738 0.094 0.000 4.255 304 Q HN 0.727 nan 8.270 nan 0.000 0.500 305 N N 0.264 118.993 118.700 0.049 0.000 2.236 305 N HA 0.383 5.114 4.740 -0.015 0.000 0.196 305 N C 0.538 176.037 175.510 -0.018 0.000 1.114 305 N CA 1.776 54.835 53.050 0.015 0.000 0.859 305 N CB 0.269 38.758 38.487 0.005 0.000 0.982 305 N HN 1.120 nan 8.380 nan 0.000 0.493 306 R N 0.792 121.294 120.500 0.003 0.000 2.457 306 R HA 0.482 4.813 4.340 -0.015 0.000 0.284 306 R C -0.328 175.834 176.300 -0.230 0.000 1.024 306 R CA -0.563 55.451 56.100 -0.143 0.000 1.025 306 R CB -0.095 30.147 30.300 -0.096 0.000 1.063 306 R HN 0.528 nan 8.270 nan 0.000 0.493 307 E N 1.560 121.491 120.200 -0.449 0.000 2.129 307 E HA 0.410 4.751 4.350 -0.015 0.000 0.268 307 E C -1.358 174.901 176.600 -0.570 0.000 0.900 307 E CA -0.528 55.655 56.400 -0.362 0.000 0.755 307 E CB 0.694 30.273 29.700 -0.201 0.000 1.117 307 E HN 0.607 nan 8.360 nan 0.000 0.410 308 W N 3.466 124.518 121.300 -0.414 0.000 2.655 308 W HA 0.507 5.158 4.660 -0.015 0.000 0.358 308 W C -0.959 175.553 176.519 -0.011 0.000 1.100 308 W CA -0.739 56.400 57.345 -0.343 0.000 1.195 308 W CB 0.961 30.039 29.460 -0.637 0.000 1.403 308 W HN 0.432 nan 8.180 nan 0.000 0.589 309 Y N 1.598 122.094 120.300 0.327 0.000 2.441 309 Y HA 0.563 5.104 4.550 -0.015 0.000 0.334 309 Y C -1.375 174.698 175.900 0.290 0.000 1.061 309 Y CA -1.714 56.571 58.100 0.308 0.000 1.032 309 Y CB 1.083 39.630 38.460 0.145 0.000 1.266 309 Y HN 0.352 nan 8.280 nan 0.000 0.441 310 I N 9.055 129.325 120.570 -0.499 0.000 2.405 310 I HA 0.343 4.504 4.170 -0.015 0.000 0.280 310 I C -2.438 173.254 176.117 -0.708 0.000 1.027 310 I CA -2.012 59.029 61.300 -0.432 0.000 1.161 310 I CB 1.604 39.480 38.000 -0.207 0.000 1.300 310 I HN 0.392 nan 8.210 nan 0.000 0.463 311 P HA 0.326 nan 4.420 nan 0.000 0.276 311 P C -1.021 176.210 177.300 -0.116 0.000 1.243 311 P CA 0.042 62.987 63.100 -0.258 0.000 0.768 311 P CB 1.239 32.952 31.700 0.022 0.000 0.856 312 L N 4.533 125.712 121.223 -0.074 0.000 2.376 312 L HA 0.537 4.868 4.340 -0.015 0.000 0.258 312 L C -2.063 174.818 176.870 0.018 0.000 1.013 312 L CA -2.537 52.284 54.840 -0.032 0.000 0.822 312 L CB 2.041 44.059 42.059 -0.067 0.000 1.388 312 L HN 0.237 nan 8.230 nan 0.000 0.413 313 P HA 0.099 nan 4.420 nan 0.000 0.268 313 P C 0.248 177.585 177.300 0.063 0.000 1.208 313 P CA -0.156 63.012 63.100 0.113 0.000 0.777 313 P CB 0.932 32.773 31.700 0.235 0.000 0.875 314 S N -0.347 115.400 115.700 0.078 0.000 2.419 314 S HA -0.061 4.400 4.470 -0.015 0.000 0.233 314 S C 0.712 175.156 174.600 -0.259 0.000 1.016 314 S CA 0.906 59.079 58.200 -0.045 0.000 0.974 314 S CB -0.398 62.828 63.200 0.042 0.000 0.786 314 S HN 0.525 nan 8.310 nan 0.000 0.492 315 H N -1.160 117.950 119.070 0.067 0.000 2.768 315 H HA 0.532 5.078 4.556 -0.015 0.000 0.371 315 H C -0.773 174.542 175.328 -0.021 0.000 1.151 315 H CA -0.587 55.477 56.048 0.027 0.000 1.165 315 H CB 1.487 31.243 29.762 -0.009 0.000 1.722 315 H HN 0.084 nan 8.280 nan 0.000 0.543 316 I N 2.012 122.631 120.570 0.082 0.000 2.892 316 I HA 0.354 4.515 4.170 -0.015 0.000 0.306 316 I C -0.404 175.727 176.117 0.024 0.000 1.078 316 I CA -0.718 60.568 61.300 -0.023 0.000 1.032 316 I CB 2.836 40.796 38.000 -0.067 0.000 1.229 316 I HN 0.306 nan 8.210 nan 0.000 0.435 317 M N 2.383 121.951 119.600 -0.054 0.000 2.644 317 M HA 0.531 5.002 4.480 -0.015 0.000 0.304 317 M C -1.424 174.880 176.300 0.006 0.000 1.215 317 M CA -0.157 55.139 55.300 -0.006 0.000 0.871 317 M CB 2.495 35.050 32.600 -0.076 0.000 1.740 317 M HN 0.483 nan 8.290 nan 0.000 0.464 318 T N 2.981 117.573 114.554 0.064 0.000 2.949 318 T HA 0.395 4.736 4.350 -0.015 0.000 0.300 318 T C -1.553 173.169 174.700 0.036 0.000 0.988 318 T CA -0.578 61.552 62.100 0.050 0.000 0.993 318 T CB 0.904 69.840 68.868 0.114 0.000 0.984 318 T HN 0.617 nan 8.240 nan 0.000 0.442 319 K N 2.963 123.378 120.400 0.024 0.000 2.483 319 K HA 0.597 4.908 4.320 -0.015 0.000 0.256 319 K C 0.984 177.566 176.600 -0.030 0.000 0.961 319 K CA 0.100 56.398 56.287 0.018 0.000 0.873 319 K CB 0.843 33.373 32.500 0.050 0.000 1.107 319 K HN 0.800 nan 8.250 nan 0.000 0.432 320 G N 2.940 111.699 108.800 -0.068 0.000 2.622 320 G HA2 -0.410 3.541 3.960 -0.015 0.000 0.307 320 G HA3 -0.410 3.541 3.960 -0.015 0.000 0.307 320 G C 0.586 175.350 174.900 -0.226 0.000 1.226 320 G CA 0.323 45.330 45.100 -0.154 0.000 0.997 320 G HN 0.784 nan 8.290 nan 0.000 0.551 321 A N -0.625 121.916 122.820 -0.464 0.000 2.387 321 A HA 0.692 5.003 4.320 -0.015 0.000 0.234 321 A C 0.317 177.648 177.584 -0.422 0.000 1.253 321 A CA 0.526 52.286 52.037 -0.461 0.000 0.894 321 A CB 0.009 18.691 19.000 -0.529 0.000 0.963 321 A HN 0.604 nan 8.150 nan 0.000 0.508 322 F N -0.507 119.415 119.950 -0.047 0.000 2.483 322 F HA 0.701 5.219 4.527 -0.015 0.000 0.329 322 F C -0.155 175.598 175.800 -0.078 0.000 1.064 322 F CA -2.114 55.848 58.000 -0.064 0.000 0.986 322 F CB 1.500 40.463 39.000 -0.062 0.000 1.218 322 F HN 0.066 nan 8.300 nan 0.000 0.484 323 L N -0.235 121.058 121.223 0.117 0.000 2.393 323 L HA 1.127 5.458 4.340 -0.015 0.000 0.260 323 L C -0.489 176.328 176.870 -0.088 0.000 1.002 323 L CA -0.594 54.236 54.840 -0.016 0.000 0.818 323 L CB 1.765 43.784 42.059 -0.067 0.000 1.369 323 L HN 0.733 nan 8.230 nan 0.000 0.412 324 G N -0.744 107.958 108.800 -0.163 0.000 2.731 324 G HA2 0.678 4.629 3.960 -0.015 0.000 0.309 324 G HA3 0.678 4.629 3.960 -0.015 0.000 0.309 324 G C -1.018 173.599 174.900 -0.472 0.000 1.273 324 G CA -0.310 44.611 45.100 -0.299 0.000 0.798 324 G HN 0.958 nan 8.290 nan 0.000 0.509 325 G N -1.421 106.767 108.800 -1.019 0.000 2.531 325 G HA2 0.755 4.706 3.960 -0.015 0.000 0.313 325 G HA3 0.755 4.706 3.960 -0.015 0.000 0.313 325 G C -0.531 173.805 174.900 -0.940 0.000 1.238 325 G CA 0.271 44.566 45.100 -1.341 0.000 0.994 325 G HN 1.655 nan 8.290 nan 0.000 0.493 326 A N -0.297 122.384 122.820 -0.232 0.000 2.408 326 A HA 0.565 4.876 4.320 -0.015 0.000 0.295 326 A C -1.481 176.300 177.584 0.328 0.000 1.040 326 A CA -0.524 51.557 52.037 0.073 0.000 0.707 326 A CB 1.993 20.955 19.000 -0.064 0.000 1.235 326 A HN 0.527 nan 8.150 nan 0.000 0.418 327 D N 2.606 123.178 120.400 0.287 0.000 2.505 327 D HA 0.328 4.959 4.640 -0.015 0.000 0.242 327 D C 0.996 177.312 176.300 0.027 0.000 1.136 327 D CA -0.003 54.086 54.000 0.148 0.000 0.954 327 D CB 0.733 41.579 40.800 0.078 0.000 1.002 327 D HN 0.447 nan 8.370 nan 0.000 0.512 328 V N 0.310 120.185 119.914 -0.065 0.000 3.630 328 V HA 0.122 4.233 4.120 -0.015 0.000 0.273 328 V C 2.316 178.394 176.094 -0.027 0.000 1.248 328 V CA 0.841 63.067 62.300 -0.123 0.000 1.170 328 V CB -1.075 30.524 31.823 -0.374 0.000 0.899 328 V HN 0.361 nan 8.190 nan 0.000 0.457 329 K N 1.372 121.774 120.400 0.002 0.000 2.000 329 K HA -0.257 4.054 4.320 -0.015 0.000 0.218 329 K C 1.913 178.529 176.600 0.026 0.000 1.053 329 K CA 2.347 58.647 56.287 0.022 0.000 0.946 329 K CB -1.248 31.262 32.500 0.018 0.000 0.723 329 K HN 0.651 nan 8.250 nan 0.000 0.446 330 E N -0.837 119.377 120.200 0.023 0.000 2.505 330 E HA 0.077 4.418 4.350 -0.015 0.000 0.197 330 E C -0.063 176.562 176.600 0.042 0.000 1.111 330 E CA -0.280 56.137 56.400 0.029 0.000 0.887 330 E CB -0.502 29.214 29.700 0.025 0.000 0.913 330 E HN 0.559 nan 8.360 nan 0.000 0.517 331 c N -0.319 118.310 118.600 0.050 0.000 2.486 331 c HA 0.603 5.164 4.570 -0.015 0.000 0.348 331 c C -0.502 173.646 174.090 0.097 0.000 1.203 331 c CA -0.738 55.640 56.329 0.081 0.000 1.911 331 c CB 0.644 43.206 42.510 0.086 0.000 2.340 331 c HN 0.194 nan 8.230 nan 0.000 0.511 332 I N 2.997 123.631 120.570 0.106 0.000 2.439 332 I HA 0.275 4.436 4.170 -0.015 0.000 0.283 332 I C -0.185 175.938 176.117 0.011 0.000 1.023 332 I CA -0.064 61.269 61.300 0.055 0.000 1.100 332 I CB 1.326 39.339 38.000 0.023 0.000 1.238 332 I HN 0.709 nan 8.210 nan 0.000 0.445 333 E N 5.777 125.916 120.200 -0.103 0.000 2.366 333 E HA 0.419 4.760 4.350 -0.015 0.000 0.266 333 E C -0.303 176.211 176.600 -0.144 0.000 1.015 333 E CA -0.042 56.110 56.400 -0.413 0.000 0.906 333 E CB 1.048 30.387 29.700 -0.600 0.000 0.979 333 E HN 0.721 nan 8.360 nan 0.000 0.443 334 A N 4.295 127.054 122.820 -0.100 0.000 3.696 334 A HA 0.309 4.620 4.320 -0.015 0.000 0.156 334 A C 0.348 178.016 177.584 0.141 0.000 1.732 334 A CA -0.383 51.744 52.037 0.149 0.000 1.004 334 A CB -0.316 18.749 19.000 0.107 0.000 1.799 334 A HN 0.808 nan 8.150 nan 0.000 0.665 335 F N 0.522 120.412 119.950 -0.101 0.000 2.222 335 F HA 0.059 4.577 4.527 -0.015 0.000 0.285 335 F C 2.312 178.056 175.800 -0.093 0.000 1.068 335 F CA 2.059 59.927 58.000 -0.219 0.000 1.265 335 F CB -0.152 38.661 39.000 -0.311 0.000 1.087 335 F HN 0.331 nan 8.300 nan 0.000 0.511 336 S N -0.654 114.919 115.700 -0.211 0.000 2.556 336 S HA 0.368 4.829 4.470 -0.015 0.000 0.216 336 S C 0.164 174.693 174.600 -0.119 0.000 0.970 336 S CA 0.237 58.285 58.200 -0.254 0.000 0.912 336 S CB -0.721 62.490 63.200 0.018 0.000 0.790 336 S HN 0.441 nan 8.310 nan 0.000 0.504 337 S N -0.788 114.869 115.700 -0.072 0.000 2.643 337 S HA 0.580 5.040 4.470 -0.015 0.000 0.266 337 S C -1.816 172.791 174.600 0.011 0.000 1.130 337 S CA -1.055 57.157 58.200 0.020 0.000 0.817 337 S CB 0.147 63.381 63.200 0.058 0.000 1.107 337 S HN 0.145 nan 8.310 nan 0.000 0.471 338 Y N 0.411 120.707 120.300 -0.006 0.000 2.352 338 Y HA 0.635 5.176 4.550 -0.015 0.000 0.326 338 Y C 0.194 176.103 175.900 0.014 0.000 1.166 338 Y CA -0.977 57.126 58.100 0.004 0.000 1.182 338 Y CB 1.037 39.485 38.460 -0.020 0.000 1.216 338 Y HN 0.533 nan 8.280 nan 0.000 0.474 339 I N 3.688 124.354 120.570 0.159 0.000 2.388 339 I HA 0.257 4.418 4.170 -0.015 0.000 0.281 339 I C -0.850 175.333 176.117 0.109 0.000 1.046 339 I CA -0.204 61.162 61.300 0.110 0.000 1.187 339 I CB 0.081 38.124 38.000 0.073 0.000 1.351 339 I HN 0.517 nan 8.210 nan 0.000 0.472 340 c N 6.596 125.257 118.600 0.103 0.000 2.351 340 c HA 0.352 4.913 4.570 -0.015 0.000 0.359 340 c C -1.193 172.946 174.090 0.082 0.000 1.193 340 c CA -0.932 55.448 56.329 0.084 0.000 2.270 340 c CB 1.272 43.820 42.510 0.063 0.000 2.369 340 c HN 0.513 nan 8.230 nan 0.000 0.553 341 P HA 0.068 nan 4.420 nan 0.000 0.249 341 P C -0.224 177.116 177.300 0.066 0.000 1.229 341 P CA 0.782 63.932 63.100 0.084 0.000 0.788 341 P CB 0.041 31.784 31.700 0.072 0.000 1.072 342 S N -3.020 112.714 115.700 0.056 0.000 2.744 342 S HA 0.061 4.522 4.470 -0.015 0.000 0.284 342 S C -1.360 173.264 174.600 0.039 0.000 0.979 342 S CA -1.146 57.081 58.200 0.045 0.000 0.870 342 S CB -0.123 63.100 63.200 0.038 0.000 1.094 342 S HN -0.077 nan 8.310 nan 0.000 0.458 343 D N 2.818 123.238 120.400 0.034 0.000 2.662 343 D HA 0.066 4.697 4.640 -0.015 0.000 0.237 343 D C -0.986 175.333 176.300 0.032 0.000 1.154 343 D CA -0.314 53.702 54.000 0.027 0.000 0.861 343 D CB 0.812 41.627 40.800 0.026 0.000 1.146 343 D HN 0.426 nan 8.370 nan 0.000 0.518 344 P HA 0.158 nan 4.420 nan 0.000 0.257 344 P C 0.451 177.804 177.300 0.089 0.000 1.325 344 P CA -0.315 62.811 63.100 0.043 0.000 0.850 344 P CB 0.213 31.910 31.700 -0.004 0.000 1.324 345 G N 0.892 109.722 108.800 0.049 0.000 2.444 345 G HA2 0.458 4.409 3.960 -0.015 0.000 0.268 345 G HA3 0.458 4.409 3.960 -0.015 0.000 0.268 345 G C -0.730 174.239 174.900 0.115 0.000 1.203 345 G CA -0.344 44.762 45.100 0.011 0.000 0.835 345 G HN 0.213 nan 8.290 nan 0.000 0.543 346 F N -0.041 119.900 119.950 -0.016 0.000 2.629 346 F HA 0.748 5.266 4.527 -0.015 0.000 0.316 346 F C -0.683 175.100 175.800 -0.028 0.000 1.081 346 F CA -1.645 56.344 58.000 -0.019 0.000 0.954 346 F CB 1.196 40.187 39.000 -0.015 0.000 1.337 346 F HN 0.397 nan 8.300 nan 0.000 0.474 347 V N 2.851 122.854 119.914 0.147 0.000 2.644 347 V HA 0.463 4.574 4.120 -0.015 0.000 0.295 347 V C 0.230 176.376 176.094 0.087 0.000 1.053 347 V CA -0.792 61.508 62.300 0.000 0.000 0.987 347 V CB 1.364 33.169 31.823 -0.030 0.000 1.006 347 V HN 0.706 nan 8.190 nan 0.000 0.472 348 L N 2.575 123.778 121.223 -0.033 0.000 2.358 348 L HA 0.526 4.857 4.340 -0.015 0.000 0.268 348 L C 0.270 177.132 176.870 -0.013 0.000 1.032 348 L CA -0.985 53.869 54.840 0.024 0.000 0.805 348 L CB 0.975 43.014 42.059 -0.034 0.000 1.253 348 L HN 0.838 nan 8.230 nan 0.000 0.452 349 N N -1.636 117.082 118.700 0.030 0.000 2.479 349 N HA -0.017 4.714 4.740 -0.015 0.000 0.257 349 N C 0.581 176.109 175.510 0.029 0.000 1.232 349 N CA -0.216 52.864 53.050 0.051 0.000 0.920 349 N CB 0.455 38.986 38.487 0.073 0.000 1.105 349 N HN 0.487 nan 8.380 nan 0.000 0.444 350 H N 0.139 119.200 119.070 -0.016 0.000 2.267 350 H HA -0.230 4.317 4.556 -0.015 0.000 0.291 350 H C 2.305 177.619 175.328 -0.024 0.000 1.094 350 H CA 3.286 59.319 56.048 -0.024 0.000 1.227 350 H CB -0.721 29.026 29.762 -0.024 0.000 1.351 350 H HN 0.884 nan 8.280 nan 0.000 0.483 351 E N 0.948 121.219 120.200 0.119 0.000 2.048 351 E HA -0.324 4.017 4.350 -0.015 0.000 0.202 351 E C 2.216 178.823 176.600 0.012 0.000 1.021 351 E CA 1.933 58.362 56.400 0.049 0.000 0.825 351 E CB -0.919 28.802 29.700 0.036 0.000 0.756 351 E HN 0.615 nan 8.360 nan 0.000 0.454 352 M N -0.289 119.314 119.600 0.005 0.000 2.099 352 M HA -0.130 4.341 4.480 -0.015 0.000 0.262 352 M C 2.542 178.815 176.300 -0.045 0.000 1.067 352 M CA 2.391 57.678 55.300 -0.022 0.000 1.124 352 M CB -0.024 32.569 32.600 -0.012 0.000 1.353 352 M HN 0.571 nan 8.290 nan 0.000 0.410 353 E N -0.721 119.447 120.200 -0.054 0.000 2.049 353 E HA -0.252 4.089 4.350 -0.015 0.000 0.198 353 E C 1.913 178.476 176.600 -0.062 0.000 1.007 353 E CA 1.857 58.208 56.400 -0.082 0.000 0.809 353 E CB -0.219 29.404 29.700 -0.128 0.000 0.749 353 E HN 0.538 nan 8.360 nan 0.000 0.450 354 S N -0.111 115.567 115.700 -0.037 0.000 2.353 354 S HA -0.239 4.221 4.470 -0.015 0.000 0.222 354 S C 2.327 176.904 174.600 -0.039 0.000 1.035 354 S CA 1.491 59.677 58.200 -0.023 0.000 1.025 354 S CB -0.880 62.323 63.200 0.005 0.000 0.902 354 S HN 0.654 nan 8.310 nan 0.000 0.440 355 c N 1.666 120.239 118.600 -0.044 0.000 2.376 355 c HA -0.101 4.460 4.570 -0.015 0.000 0.275 355 c C 2.397 176.439 174.090 -0.080 0.000 1.200 355 c CA 1.382 57.673 56.329 -0.062 0.000 1.756 355 c CB -1.821 40.650 42.510 -0.066 0.000 2.050 355 c HN 0.698 nan 8.230 nan 0.000 0.460 356 L N 1.660 122.830 121.223 -0.087 0.000 2.642 356 L HA -0.023 4.308 4.340 -0.015 0.000 0.236 356 L C 2.063 178.870 176.870 -0.105 0.000 1.169 356 L CA 1.380 56.155 54.840 -0.109 0.000 0.851 356 L CB -0.398 41.590 42.059 -0.119 0.000 0.968 356 L HN 0.715 nan 8.230 nan 0.000 0.453 357 S N -2.498 113.154 115.700 -0.079 0.000 2.663 357 S HA 0.479 4.940 4.470 -0.015 0.000 0.243 357 S C 1.003 175.569 174.600 -0.057 0.000 1.009 357 S CA 0.101 58.260 58.200 -0.068 0.000 0.988 357 S CB 1.127 64.300 63.200 -0.044 0.000 0.896 357 S HN 0.450 nan 8.310 nan 0.000 0.502 358 G N 2.578 111.341 108.800 -0.062 0.000 2.905 358 G HA2 -0.246 3.705 3.960 -0.015 0.000 0.199 358 G HA3 -0.246 3.705 3.960 -0.015 0.000 0.199 358 G C 0.047 174.919 174.900 -0.046 0.000 1.370 358 G CA -0.294 44.775 45.100 -0.051 0.000 0.966 358 G HN 0.492 nan 8.290 nan 0.000 0.522 359 N N 2.371 121.048 118.700 -0.039 0.000 2.374 359 N HA 0.126 4.857 4.740 -0.015 0.000 0.298 359 N C 1.517 176.999 175.510 -0.047 0.000 1.273 359 N CA 0.361 53.390 53.050 -0.035 0.000 1.093 359 N CB -0.573 37.900 38.487 -0.024 0.000 1.486 359 N HN 0.506 nan 8.380 nan 0.000 0.488 360 I N 0.310 120.847 120.570 -0.055 0.000 3.001 360 I HA -0.185 3.976 4.170 -0.015 0.000 0.268 360 I C 1.546 177.618 176.117 -0.075 0.000 1.267 360 I CA 0.496 61.754 61.300 -0.071 0.000 1.472 360 I CB -0.206 37.750 38.000 -0.074 0.000 1.089 360 I HN 0.430 nan 8.210 nan 0.000 0.468 361 S N -0.278 115.384 115.700 -0.063 0.000 2.660 361 S HA 0.012 4.473 4.470 -0.015 0.000 0.223 361 S C 1.462 176.027 174.600 -0.058 0.000 0.963 361 S CA 0.157 58.316 58.200 -0.068 0.000 0.932 361 S CB 0.051 63.218 63.200 -0.054 0.000 0.775 361 S HN 0.392 nan 8.310 nan 0.000 0.531 362 Q N 0.106 119.875 119.800 -0.051 0.000 2.246 362 Q HA 0.293 4.624 4.340 -0.015 0.000 0.222 362 Q C 0.050 176.028 176.000 -0.037 0.000 0.851 362 Q CA -0.069 55.713 55.803 -0.035 0.000 0.945 362 Q CB 0.137 28.862 28.738 -0.022 0.000 1.122 362 Q HN 0.560 nan 8.270 nan 0.000 0.508 363 c N 5.255 123.822 118.600 -0.055 0.000 2.638 363 c HA 0.092 4.653 4.570 -0.015 0.000 0.410 363 c C -1.433 172.640 174.090 -0.030 0.000 1.404 363 c CA -0.937 55.358 56.329 -0.055 0.000 1.651 363 c CB -0.306 42.154 42.510 -0.085 0.000 2.495 363 c HN 0.238 nan 8.230 nan 0.000 0.606 364 P HA 0.022 nan 4.420 nan 0.000 0.238 364 P C 0.070 177.400 177.300 0.048 0.000 1.729 364 P CA 0.258 63.370 63.100 0.019 0.000 1.055 364 P CB -0.273 31.436 31.700 0.016 0.000 1.980 365 R N 0.431 120.978 120.500 0.079 0.000 2.539 365 R HA 0.511 4.842 4.340 -0.015 0.000 0.275 365 R C -0.044 176.447 176.300 0.317 0.000 1.077 365 R CA -0.425 55.795 56.100 0.201 0.000 1.097 365 R CB 0.011 30.436 30.300 0.208 0.000 1.018 365 R HN 0.179 nan 8.270 nan 0.000 0.483 366 T N -1.089 113.693 114.554 0.380 0.000 2.893 366 T HA 0.259 4.600 4.350 -0.015 0.000 0.293 366 T C -0.277 174.565 174.700 0.238 0.000 1.027 366 T CA -0.964 61.322 62.100 0.310 0.000 0.988 366 T CB 1.785 70.784 68.868 0.218 0.000 1.043 366 T HN 0.524 nan 8.240 nan 0.000 0.461 367 V N 3.991 123.902 119.914 -0.006 0.000 2.740 367 V HA 0.538 4.649 4.120 -0.015 0.000 0.303 367 V C 0.429 176.423 176.094 -0.166 0.000 1.054 367 V CA 0.055 62.139 62.300 -0.359 0.000 1.106 367 V CB 0.806 32.340 31.823 -0.482 0.000 0.957 367 V HN 1.060 nan 8.190 nan 0.000 0.486 368 V N 5.181 124.976 119.914 -0.198 0.000 2.472 368 V HA 0.932 5.043 4.120 -0.015 0.000 0.290 368 V C 0.238 176.251 176.094 -0.134 0.000 1.037 368 V CA 0.304 62.535 62.300 -0.114 0.000 0.908 368 V CB 1.143 32.915 31.823 -0.086 0.000 0.985 368 V HN 1.211 nan 8.190 nan 0.000 0.454 369 K N 2.808 123.150 120.400 -0.098 0.000 2.553 369 K HA 0.604 4.915 4.320 -0.015 0.000 0.205 369 K C 0.481 177.042 176.600 -0.066 0.000 1.168 369 K CA 0.517 56.752 56.287 -0.086 0.000 1.043 369 K CB 0.280 32.733 32.500 -0.078 0.000 0.967 369 K HN 1.111 nan 8.250 nan 0.000 0.585 370 S N 0.030 115.688 115.700 -0.069 0.000 2.568 370 S HA 0.419 4.880 4.470 -0.015 0.000 0.293 370 S C -0.707 173.853 174.600 -0.066 0.000 1.089 370 S CA -0.364 57.800 58.200 -0.060 0.000 0.945 370 S CB 1.596 64.762 63.200 -0.057 0.000 1.077 370 S HN 0.228 nan 8.310 nan 0.000 0.485 371 D N 2.632 123.003 120.400 -0.048 0.000 2.363 371 D HA 0.048 4.679 4.640 -0.015 0.000 0.226 371 D C 1.554 177.821 176.300 -0.055 0.000 1.020 371 D CA 0.366 54.342 54.000 -0.040 0.000 0.892 371 D CB 0.125 40.916 40.800 -0.015 0.000 0.900 371 D HN 0.452 nan 8.370 nan 0.000 0.531 372 I N 0.753 121.280 120.570 -0.072 0.000 2.439 372 I HA -0.086 4.075 4.170 -0.015 0.000 0.251 372 I C 0.969 176.993 176.117 -0.155 0.000 1.139 372 I CA 0.467 61.715 61.300 -0.087 0.000 1.438 372 I CB -0.755 37.201 38.000 -0.072 0.000 1.085 372 I HN -0.220 nan 8.210 nan 0.000 0.427 373 V N 5.042 124.829 119.914 -0.211 0.000 2.540 373 V HA 0.038 4.149 4.120 -0.015 0.000 0.297 373 V C -1.809 174.089 176.094 -0.327 0.000 1.024 373 V CA -1.062 61.005 62.300 -0.389 0.000 1.105 373 V CB -0.377 31.191 31.823 -0.425 0.000 0.938 373 V HN 0.203 nan 8.190 nan 0.000 0.482 374 P HA 0.125 nan 4.420 nan 0.000 0.261 374 P C 0.026 177.209 177.300 -0.195 0.000 1.203 374 P CA 0.133 63.058 63.100 -0.292 0.000 0.767 374 P CB 0.507 32.058 31.700 -0.249 0.000 0.785 375 R N 2.460 122.867 120.500 -0.155 0.000 2.362 375 R HA 0.133 4.464 4.340 -0.015 0.000 0.227 375 R C 0.112 176.450 176.300 0.063 0.000 0.905 375 R CA 0.252 56.351 56.100 -0.002 0.000 1.067 375 R CB 0.037 30.375 30.300 0.065 0.000 1.078 375 R HN 0.606 nan 8.270 nan 0.000 0.516 376 Y N -2.710 117.540 120.300 -0.084 0.000 2.571 376 Y HA 0.769 5.310 4.550 -0.015 0.000 0.341 376 Y C -1.544 174.190 175.900 -0.276 0.000 1.076 376 Y CA -1.896 56.100 58.100 -0.174 0.000 1.029 376 Y CB 1.216 39.550 38.460 -0.209 0.000 1.308 376 Y HN -0.152 nan 8.280 nan 0.000 0.461 377 A N 2.430 125.124 122.820 -0.210 0.000 2.549 377 A HA 0.749 5.060 4.320 -0.015 0.000 0.297 377 A C -2.042 175.294 177.584 -0.414 0.000 1.061 377 A CA -0.831 51.010 52.037 -0.328 0.000 0.690 377 A CB 0.804 19.716 19.000 -0.147 0.000 1.287 377 A HN 0.643 nan 8.150 nan 0.000 0.402 378 F N 1.116 121.053 119.950 -0.021 0.000 2.412 378 F HA 0.576 5.094 4.527 -0.015 0.000 0.348 378 F C 0.428 176.212 175.800 -0.026 0.000 1.102 378 F CA 0.045 58.011 58.000 -0.056 0.000 1.196 378 F CB 1.551 40.503 39.000 -0.079 0.000 1.144 378 F HN 0.307 nan 8.300 nan 0.000 0.541 379 V N 2.009 121.998 119.914 0.126 0.000 3.087 379 V HA 0.207 4.318 4.120 -0.015 0.000 0.306 379 V C -0.526 175.617 176.094 0.082 0.000 1.187 379 V CA -1.758 60.590 62.300 0.080 0.000 0.999 379 V CB 2.076 33.917 31.823 0.029 0.000 1.049 379 V HN 0.736 nan 8.190 nan 0.000 0.431 380 N N 2.788 121.531 118.700 0.072 0.000 2.974 380 N HA -0.210 4.521 4.740 -0.015 0.000 0.298 380 N C 1.139 176.702 175.510 0.088 0.000 1.048 380 N CA 1.363 54.455 53.050 0.070 0.000 0.849 380 N CB -0.482 38.036 38.487 0.051 0.000 0.952 380 N HN 1.537 nan 8.380 nan 0.000 0.615 381 G N -0.641 108.230 108.800 0.117 0.000 2.395 381 G HA2 -0.065 3.886 3.960 -0.015 0.000 0.300 381 G HA3 -0.065 3.886 3.960 -0.015 0.000 0.300 381 G C 0.564 175.568 174.900 0.173 0.000 0.998 381 G CA 0.718 45.922 45.100 0.174 0.000 1.046 381 G HN 0.978 nan 8.290 nan 0.000 0.513 382 G N -2.591 106.259 108.800 0.083 0.000 2.554 382 G HA2 0.748 4.699 3.960 -0.015 0.000 0.306 382 G HA3 0.748 4.699 3.960 -0.015 0.000 0.306 382 G C -1.393 173.476 174.900 -0.051 0.000 1.320 382 G CA 0.111 45.172 45.100 -0.066 0.000 0.800 382 G HN 1.094 nan 8.290 nan 0.000 0.481 383 V N -0.674 119.169 119.914 -0.117 0.000 2.876 383 V HA 0.725 4.836 4.120 -0.015 0.000 0.312 383 V C -0.560 175.471 176.094 -0.105 0.000 1.085 383 V CA -0.683 61.524 62.300 -0.155 0.000 0.945 383 V CB 2.038 33.724 31.823 -0.228 0.000 1.017 383 V HN 0.693 nan 8.190 nan 0.000 0.428 384 V N 2.629 122.483 119.914 -0.101 0.000 2.540 384 V HA 0.971 5.082 4.120 -0.015 0.000 0.302 384 V C 0.075 176.152 176.094 -0.027 0.000 1.035 384 V CA -0.173 62.098 62.300 -0.048 0.000 0.873 384 V CB 1.488 33.289 31.823 -0.037 0.000 0.992 384 V HN 1.143 nan 8.190 nan 0.000 0.428 385 A N 3.342 126.167 122.820 0.009 0.000 2.609 385 A HA 0.671 4.982 4.320 -0.015 0.000 0.291 385 A C -0.904 176.720 177.584 0.066 0.000 1.096 385 A CA -0.699 51.368 52.037 0.050 0.000 0.684 385 A CB 1.725 20.753 19.000 0.047 0.000 1.282 385 A HN 0.660 nan 8.150 nan 0.000 0.412 386 N N 1.016 119.768 118.700 0.086 0.000 2.645 386 N HA 0.138 4.869 4.740 -0.015 0.000 0.233 386 N C -0.117 175.435 175.510 0.069 0.000 1.058 386 N CA -0.218 52.887 53.050 0.091 0.000 0.942 386 N CB 0.543 39.092 38.487 0.102 0.000 1.210 386 N HN 0.507 nan 8.380 nan 0.000 0.512 387 c N 3.897 122.531 118.600 0.058 0.000 2.449 387 c HA 0.255 4.816 4.570 -0.015 0.000 0.322 387 c C 2.052 176.165 174.090 0.038 0.000 1.309 387 c CA -0.353 56.001 56.329 0.043 0.000 1.657 387 c CB -1.763 40.768 42.510 0.034 0.000 1.718 387 c HN 0.718 nan 8.230 nan 0.000 0.596 388 I N 0.473 121.068 120.570 0.042 0.000 3.565 388 I HA -0.024 4.137 4.170 -0.015 0.000 0.287 388 I C 2.472 178.603 176.117 0.024 0.000 1.193 388 I CA 1.103 62.423 61.300 0.032 0.000 1.402 388 I CB -0.184 37.837 38.000 0.036 0.000 1.284 388 I HN 0.357 nan 8.210 nan 0.000 0.454 389 T N -2.878 111.693 114.554 0.028 0.000 3.060 389 T HA 0.150 4.491 4.350 -0.015 0.000 0.249 389 T C 0.708 175.426 174.700 0.029 0.000 1.079 389 T CA 0.148 62.259 62.100 0.019 0.000 1.013 389 T CB -0.015 68.860 68.868 0.011 0.000 0.975 389 T HN -0.045 nan 8.240 nan 0.000 0.518 390 T N 1.455 116.034 114.554 0.040 0.000 2.887 390 T HA 0.504 4.845 4.350 -0.015 0.000 0.288 390 T C -0.670 174.048 174.700 0.030 0.000 1.021 390 T CA -0.484 61.644 62.100 0.047 0.000 1.000 390 T CB 1.912 70.823 68.868 0.072 0.000 1.034 390 T HN 0.083 nan 8.240 nan 0.000 0.467 391 T N 2.525 117.092 114.554 0.021 0.000 3.151 391 T HA 0.307 4.648 4.350 -0.015 0.000 0.332 391 T C 0.131 174.835 174.700 0.007 0.000 1.245 391 T CA -0.589 61.519 62.100 0.013 0.000 1.019 391 T CB -1.256 67.617 68.868 0.009 0.000 1.109 391 T HN 0.699 nan 8.240 nan 0.000 0.621 392 c N 4.482 123.088 118.600 0.010 0.000 2.576 392 c HA 0.592 5.153 4.570 -0.015 0.000 0.401 392 c C 1.214 175.309 174.090 0.009 0.000 1.314 392 c CA -0.815 55.518 56.329 0.006 0.000 1.855 392 c CB -0.903 41.612 42.510 0.010 0.000 2.537 392 c HN 0.879 nan 8.230 nan 0.000 0.578 393 T N 1.272 115.832 114.554 0.009 0.000 2.824 393 T HA 0.454 4.795 4.350 -0.015 0.000 0.282 393 T C -0.674 174.038 174.700 0.020 0.000 0.993 393 T CA -0.599 61.508 62.100 0.011 0.000 0.967 393 T CB 1.162 70.033 68.868 0.005 0.000 0.960 393 T HN 0.836 nan 8.240 nan 0.000 0.441 394 c N 5.760 124.373 118.600 0.022 0.000 2.251 394 c HA 0.595 5.156 4.570 -0.015 0.000 0.323 394 c C 0.731 174.841 174.090 0.033 0.000 1.241 394 c CA -0.211 56.136 56.329 0.031 0.000 1.601 394 c CB -1.633 40.894 42.510 0.028 0.000 2.251 394 c HN 1.073 nan 8.230 nan 0.000 0.488 395 N N 3.694 122.420 118.700 0.043 0.000 2.747 395 N HA -0.146 4.585 4.740 -0.015 0.000 0.249 395 N C -0.090 175.435 175.510 0.024 0.000 1.107 395 N CA 1.941 55.013 53.050 0.038 0.000 0.707 395 N CB -1.388 37.120 38.487 0.036 0.000 1.054 395 N HN 1.616 nan 8.380 nan 0.000 0.555 396 G N -0.993 107.818 108.800 0.018 0.000 2.306 396 G HA2 0.108 4.059 3.960 -0.015 0.000 0.340 396 G HA3 0.108 4.059 3.960 -0.015 0.000 0.340 396 G C 0.596 175.498 174.900 0.004 0.000 1.630 396 G CA -0.421 44.683 45.100 0.008 0.000 0.937 396 G HN 0.067 nan 8.290 nan 0.000 0.693 397 I N 0.939 121.508 120.570 -0.002 0.000 2.850 397 I HA -0.067 4.094 4.170 -0.015 0.000 0.266 397 I C 2.446 178.563 176.117 -0.000 0.000 1.257 397 I CA 1.700 62.998 61.300 -0.004 0.000 1.465 397 I CB -0.194 37.800 38.000 -0.010 0.000 1.091 397 I HN 0.637 nan 8.210 nan 0.000 0.467 398 G N 0.472 109.273 108.800 0.002 0.000 2.492 398 G HA2 -0.150 3.801 3.960 -0.015 0.000 0.214 398 G HA3 -0.150 3.801 3.960 -0.015 0.000 0.214 398 G C 0.802 175.706 174.900 0.006 0.000 1.147 398 G CA -0.086 45.016 45.100 0.004 0.000 0.809 398 G HN 0.262 nan 8.290 nan 0.000 0.533 399 N N 0.798 119.503 118.700 0.008 0.000 2.448 399 N HA 0.111 4.841 4.740 -0.015 0.000 0.250 399 N C 0.027 175.544 175.510 0.011 0.000 1.136 399 N CA -0.324 52.732 53.050 0.011 0.000 0.953 399 N CB 0.114 38.610 38.487 0.014 0.000 1.251 399 N HN 0.247 nan 8.380 nan 0.000 0.502 400 R N 3.682 124.188 120.500 0.011 0.000 2.459 400 R HA 0.308 4.639 4.340 -0.015 0.000 0.281 400 R C -0.258 176.050 176.300 0.014 0.000 1.050 400 R CA -0.533 55.574 56.100 0.011 0.000 1.055 400 R CB 0.567 30.873 30.300 0.010 0.000 1.045 400 R HN 0.326 nan 8.270 nan 0.000 0.495 401 I N 3.645 124.224 120.570 0.015 0.000 2.353 401 I HA 0.236 4.397 4.170 -0.015 0.000 0.293 401 I C 0.096 176.224 176.117 0.019 0.000 0.992 401 I CA -0.568 60.742 61.300 0.017 0.000 1.268 401 I CB 1.167 39.177 38.000 0.017 0.000 1.387 401 I HN 0.704 nan 8.210 nan 0.000 0.478 402 N N 4.776 123.488 118.700 0.020 0.000 2.502 402 N HA 0.434 5.165 4.740 -0.015 0.000 0.280 402 N C -0.655 174.871 175.510 0.028 0.000 1.223 402 N CA -0.483 52.580 53.050 0.022 0.000 0.966 402 N CB 1.814 40.313 38.487 0.020 0.000 1.203 402 N HN 0.520 nan 8.380 nan 0.000 0.565 403 Q N 0.828 120.647 119.800 0.031 0.000 2.280 403 Q HA 0.316 4.647 4.340 -0.015 0.000 0.259 403 Q C -2.765 173.257 176.000 0.037 0.000 0.964 403 Q CA -1.423 54.403 55.803 0.038 0.000 0.844 403 Q CB 2.043 30.809 28.738 0.048 0.000 1.334 403 Q HN 0.337 nan 8.270 nan 0.000 0.423 404 P HA 0.091 nan 4.420 nan 0.000 0.266 404 P C -2.347 174.974 177.300 0.035 0.000 1.195 404 P CA -0.861 62.257 63.100 0.029 0.000 0.768 404 P CB 0.572 32.286 31.700 0.023 0.000 0.838 405 P HA -0.179 nan 4.420 nan 0.000 0.226 405 P C 0.985 178.310 177.300 0.041 0.000 1.146 405 P CA 1.247 64.369 63.100 0.037 0.000 0.773 405 P CB 0.082 31.799 31.700 0.029 0.000 0.772 406 D N -0.838 119.578 120.400 0.026 0.000 2.113 406 D HA -0.091 4.540 4.640 -0.015 0.000 0.206 406 D C 0.792 177.099 176.300 0.011 0.000 0.979 406 D CA 0.723 54.726 54.000 0.004 0.000 0.862 406 D CB -0.473 40.313 40.800 -0.023 0.000 1.013 406 D HN 0.067 nan 8.370 nan 0.000 0.455 407 Q N -0.356 119.459 119.800 0.026 0.000 2.386 407 Q HA 0.218 4.549 4.340 -0.015 0.000 0.282 407 Q C 1.078 177.172 176.000 0.157 0.000 1.050 407 Q CA 0.369 56.228 55.803 0.092 0.000 0.918 407 Q CB 1.046 29.857 28.738 0.123 0.000 1.266 407 Q HN 0.481 nan 8.270 nan 0.000 0.423 408 G N 1.334 110.280 108.800 0.243 0.000 2.408 408 G HA2 0.085 4.036 3.960 -0.015 0.000 0.215 408 G HA3 0.085 4.036 3.960 -0.015 0.000 0.215 408 G C 0.350 175.385 174.900 0.226 0.000 1.156 408 G CA 0.873 46.145 45.100 0.287 0.000 0.793 408 G HN 0.496 nan 8.290 nan 0.000 0.535 409 V N -5.025 114.988 119.914 0.164 0.000 3.181 409 V HA 0.934 5.045 4.120 -0.015 0.000 0.308 409 V C -0.755 175.387 176.094 0.080 0.000 1.214 409 V CA -0.767 61.600 62.300 0.112 0.000 1.053 409 V CB 1.193 33.067 31.823 0.086 0.000 1.069 409 V HN 0.392 nan 8.190 nan 0.000 0.441 410 K N 0.859 121.292 120.400 0.055 0.000 2.221 410 K HA 0.858 5.169 4.320 -0.015 0.000 0.258 410 K C -0.810 175.799 176.600 0.015 0.000 0.944 410 K CA -0.633 55.676 56.287 0.037 0.000 0.823 410 K CB 1.570 34.090 32.500 0.034 0.000 1.113 410 K HN 0.845 nan 8.250 nan 0.000 0.431 411 I N 3.897 124.471 120.570 0.007 0.000 2.282 411 I HA 0.282 4.443 4.170 -0.015 0.000 0.290 411 I C -0.265 175.844 176.117 -0.013 0.000 1.090 411 I CA -0.565 60.730 61.300 -0.009 0.000 1.231 411 I CB 0.471 38.465 38.000 -0.010 0.000 1.434 411 I HN 0.566 nan 8.210 nan 0.000 0.487 412 I N 6.053 126.605 120.570 -0.030 0.000 2.396 412 I HA 0.153 4.314 4.170 -0.015 0.000 0.289 412 I C 0.384 176.462 176.117 -0.065 0.000 1.056 412 I CA 0.105 61.381 61.300 -0.041 0.000 1.365 412 I CB 0.812 38.780 38.000 -0.054 0.000 1.407 412 I HN 0.474 nan 8.210 nan 0.000 0.509 413 T N 4.546 119.078 114.554 -0.036 0.000 2.867 413 T HA 0.229 4.570 4.350 -0.015 0.000 0.282 413 T C 1.023 175.723 174.700 0.000 0.000 1.000 413 T CA -0.468 61.621 62.100 -0.019 0.000 1.042 413 T CB 1.357 70.240 68.868 0.023 0.000 0.973 413 T HN 0.440 nan 8.240 nan 0.000 0.465 414 H N 1.151 120.253 119.070 0.054 0.000 2.521 414 H HA 0.057 4.604 4.556 -0.015 0.000 0.286 414 H C 1.893 177.247 175.328 0.044 0.000 1.034 414 H CA 1.046 57.128 56.048 0.057 0.000 1.278 414 H CB 0.359 30.159 29.762 0.064 0.000 1.386 414 H HN 0.541 nan 8.280 nan 0.000 0.567 415 K N 0.278 120.768 120.400 0.149 0.000 2.228 415 K HA -0.071 4.240 4.320 -0.015 0.000 0.202 415 K C 2.258 178.900 176.600 0.071 0.000 1.051 415 K CA 1.009 57.353 56.287 0.094 0.000 0.960 415 K CB 0.471 33.013 32.500 0.070 0.000 0.743 415 K HN 0.414 nan 8.250 nan 0.000 0.458 416 E N -0.358 119.880 120.200 0.064 0.000 2.276 416 E HA 0.014 4.355 4.350 -0.015 0.000 0.193 416 E C 0.249 176.881 176.600 0.054 0.000 0.983 416 E CA 0.630 57.057 56.400 0.047 0.000 0.861 416 E CB -0.004 29.715 29.700 0.031 0.000 0.817 416 E HN 0.265 nan 8.360 nan 0.000 0.485 417 c N 0.621 119.266 118.600 0.075 0.000 2.478 417 c HA 0.414 4.975 4.570 -0.015 0.000 0.334 417 c C 1.289 175.486 174.090 0.178 0.000 1.106 417 c CA -0.934 55.450 56.329 0.092 0.000 1.363 417 c CB 0.115 42.662 42.510 0.061 0.000 1.941 417 c HN 0.689 nan 8.230 nan 0.000 0.436 418 N N 1.717 120.504 118.700 0.145 0.000 2.149 418 N HA -0.117 4.614 4.740 -0.015 0.000 0.188 418 N C 0.446 176.086 175.510 0.217 0.000 1.019 418 N CA 1.452 54.593 53.050 0.152 0.000 0.857 418 N CB 0.275 38.805 38.487 0.072 0.000 0.997 418 N HN 0.707 nan 8.380 nan 0.000 0.426 419 T N 0.819 115.479 114.554 0.177 0.000 3.009 419 T HA 0.281 4.622 4.350 -0.015 0.000 0.346 419 T C -0.491 174.299 174.700 0.150 0.000 1.092 419 T CA -0.576 61.631 62.100 0.179 0.000 1.080 419 T CB 0.592 69.514 68.868 0.090 0.000 1.037 419 T HN 0.251 nan 8.240 nan 0.000 0.487 420 I N 1.598 122.279 120.570 0.185 0.000 2.474 420 I HA 0.754 4.915 4.170 -0.015 0.000 0.287 420 I C 0.185 176.382 176.117 0.133 0.000 1.048 420 I CA -0.099 61.267 61.300 0.111 0.000 1.383 420 I CB 0.637 38.663 38.000 0.043 0.000 1.412 420 I HN 0.607 nan 8.210 nan 0.000 0.531 421 G N 7.827 116.667 108.800 0.067 0.000 2.544 421 G HA2 0.613 4.564 3.960 -0.015 0.000 0.313 421 G HA3 0.613 4.564 3.960 -0.015 0.000 0.313 421 G C -0.976 173.930 174.900 0.010 0.000 1.316 421 G CA -0.621 44.492 45.100 0.021 0.000 0.944 421 G HN 0.653 nan 8.290 nan 0.000 0.489 422 I N 1.949 122.517 120.570 -0.003 0.000 2.359 422 I HA 0.193 4.354 4.170 -0.015 0.000 0.284 422 I C 0.312 176.389 176.117 -0.067 0.000 1.018 422 I CA -0.486 60.775 61.300 -0.065 0.000 1.173 422 I CB 0.851 38.713 38.000 -0.229 0.000 1.326 422 I HN 0.755 nan 8.210 nan 0.000 0.462 423 N N 4.941 123.622 118.700 -0.031 0.000 2.740 423 N HA -0.220 4.511 4.740 -0.015 0.000 0.248 423 N C 1.003 176.497 175.510 -0.027 0.000 1.062 423 N CA 0.383 53.425 53.050 -0.014 0.000 0.704 423 N CB -0.631 37.861 38.487 0.008 0.000 0.968 423 N HN 1.129 nan 8.380 nan 0.000 0.547 424 G N -0.621 108.156 108.800 -0.040 0.000 2.253 424 G HA2 -0.372 3.578 3.960 -0.015 0.000 0.251 424 G HA3 -0.372 3.578 3.960 -0.015 0.000 0.251 424 G C 0.215 175.056 174.900 -0.098 0.000 0.998 424 G CA 0.557 45.626 45.100 -0.053 0.000 0.621 424 G HN 0.356 nan 8.290 nan 0.000 0.524 425 M N 1.419 120.940 119.600 -0.131 0.000 2.184 425 M HA 0.465 4.936 4.480 -0.015 0.000 0.351 425 M C 0.353 176.382 176.300 -0.453 0.000 1.395 425 M CA 0.226 55.364 55.300 -0.269 0.000 1.117 425 M CB 0.658 33.123 32.600 -0.226 0.000 1.708 425 M HN 0.124 nan 8.290 nan 0.000 0.468 426 L N 4.671 125.605 121.223 -0.483 0.000 2.275 426 L HA 0.423 4.754 4.340 -0.015 0.000 0.288 426 L C -1.056 175.445 176.870 -0.616 0.000 1.046 426 L CA -0.162 54.433 54.840 -0.409 0.000 0.805 426 L CB 0.432 42.377 42.059 -0.189 0.000 1.193 426 L HN 0.583 nan 8.230 nan 0.000 0.426 427 F N 2.712 122.720 119.950 0.098 0.000 2.359 427 F HA 0.365 4.883 4.527 -0.015 0.000 0.369 427 F C 0.657 176.604 175.800 0.245 0.000 1.084 427 F CA -0.718 57.385 58.000 0.171 0.000 1.096 427 F CB 0.663 39.809 39.000 0.244 0.000 1.335 427 F HN 0.510 nan 8.300 nan 0.000 0.457 428 N N 0.924 119.765 118.700 0.236 0.000 2.495 428 N HA 0.368 5.099 4.740 -0.015 0.000 0.294 428 N C 0.042 175.507 175.510 -0.076 0.000 1.276 428 N CA -0.455 52.668 53.050 0.121 0.000 0.973 428 N CB 0.622 39.127 38.487 0.031 0.000 1.143 428 N HN 0.286 nan 8.380 nan 0.000 0.589 429 T N 0.886 115.323 114.554 -0.195 0.000 2.847 429 T HA 0.206 4.547 4.350 -0.015 0.000 0.279 429 T C 0.050 174.674 174.700 -0.127 0.000 0.984 429 T CA -0.535 61.386 62.100 -0.299 0.000 0.988 429 T CB 0.162 68.902 68.868 -0.214 0.000 1.040 429 T HN 0.310 nan 8.240 nan 0.000 0.528 430 N N 2.172 120.812 118.700 -0.100 0.000 2.414 430 N HA 0.377 5.108 4.740 -0.015 0.000 0.256 430 N C 0.123 175.612 175.510 -0.035 0.000 1.029 430 N CA -0.325 52.696 53.050 -0.047 0.000 0.948 430 N CB 0.953 39.421 38.487 -0.032 0.000 1.102 430 N HN 0.639 nan 8.380 nan 0.000 0.496 431 K N 1.103 121.488 120.400 -0.025 0.000 2.126 431 K HA 0.227 4.538 4.320 -0.015 0.000 0.257 431 K C 0.039 176.630 176.600 -0.014 0.000 1.007 431 K CA -0.492 55.784 56.287 -0.018 0.000 0.928 431 K CB 0.864 33.356 32.500 -0.014 0.000 1.013 431 K HN 0.694 nan 8.250 nan 0.000 0.473 432 E N 0.575 120.769 120.200 -0.011 0.000 2.133 432 E HA 0.474 4.815 4.350 -0.015 0.000 0.274 432 E C 0.411 177.008 176.600 -0.006 0.000 0.930 432 E CA -0.554 55.840 56.400 -0.010 0.000 0.770 432 E CB 1.179 30.873 29.700 -0.010 0.000 1.104 432 E HN 0.791 nan 8.360 nan 0.000 0.403 433 G N 2.173 110.969 108.800 -0.007 0.000 2.563 433 G HA2 0.184 4.135 3.960 -0.015 0.000 0.283 433 G HA3 0.184 4.135 3.960 -0.015 0.000 0.283 433 G C -0.247 174.653 174.900 0.000 0.000 1.309 433 G CA -0.445 44.654 45.100 -0.002 0.000 1.022 433 G HN 0.585 nan 8.290 nan 0.000 0.501 434 T N -1.976 112.584 114.554 0.009 0.000 2.919 434 T HA 0.501 4.842 4.350 -0.015 0.000 0.302 434 T C 0.808 175.512 174.700 0.007 0.000 1.031 434 T CA -0.227 61.885 62.100 0.019 0.000 1.127 434 T CB 0.686 69.577 68.868 0.038 0.000 0.952 434 T HN 1.141 nan 8.240 nan 0.000 0.540 435 L N 0.960 122.183 121.223 0.000 0.000 2.506 435 L HA 0.656 4.987 4.340 -0.015 0.000 0.281 435 L C 0.740 177.573 176.870 -0.062 0.000 1.228 435 L CA -0.470 54.320 54.840 -0.083 0.000 0.850 435 L CB -1.520 40.471 42.059 -0.113 0.000 1.110 435 L HN 1.387 nan 8.230 nan 0.000 0.496 436 A N 1.686 124.388 122.820 -0.197 0.000 2.423 436 A HA 0.991 5.302 4.320 -0.015 0.000 0.304 436 A C -1.018 176.413 177.584 -0.255 0.000 1.104 436 A CA -0.485 51.519 52.037 -0.056 0.000 0.757 436 A CB 1.340 20.336 19.000 -0.006 0.000 1.313 436 A HN 1.043 nan 8.150 nan 0.000 0.423 437 F N -0.240 119.739 119.950 0.047 0.000 2.565 437 F HA 0.492 5.010 4.527 -0.015 0.000 0.313 437 F C -0.787 175.073 175.800 0.101 0.000 1.091 437 F CA -0.353 57.683 58.000 0.060 0.000 0.915 437 F CB 2.110 41.124 39.000 0.024 0.000 1.208 437 F HN 0.563 nan 8.300 nan 0.000 0.453 438 Y N 2.244 122.645 120.300 0.170 0.000 2.575 438 Y HA 0.645 5.186 4.550 -0.015 0.000 0.326 438 Y C -0.991 174.975 175.900 0.110 0.000 0.979 438 Y CA -0.529 57.631 58.100 0.099 0.000 1.286 438 Y CB 0.864 39.352 38.460 0.047 0.000 1.093 438 Y HN 0.571 nan 8.280 nan 0.000 0.501 439 T N 7.491 121.874 114.554 -0.285 0.000 2.893 439 T HA 0.449 4.790 4.350 -0.015 0.000 0.293 439 T C -2.696 171.812 174.700 -0.320 0.000 1.027 439 T CA -1.201 60.748 62.100 -0.252 0.000 0.988 439 T CB 1.638 70.462 68.868 -0.074 0.000 1.043 439 T HN 0.488 nan 8.240 nan 0.000 0.461 440 P HA 0.316 nan 4.420 nan 0.000 0.284 440 P C -0.473 176.759 177.300 -0.114 0.000 1.253 440 P CA -0.706 62.281 63.100 -0.189 0.000 0.800 440 P CB 0.688 32.304 31.700 -0.140 0.000 0.961 441 N N 1.969 120.614 118.700 -0.090 0.000 2.345 441 N HA -0.022 4.709 4.740 -0.015 0.000 0.243 441 N C -0.048 175.431 175.510 -0.053 0.000 1.246 441 N CA 0.504 53.516 53.050 -0.064 0.000 0.863 441 N CB 0.462 38.920 38.487 -0.048 0.000 1.096 441 N HN 0.451 nan 8.380 nan 0.000 0.446 442 D N 0.680 121.052 120.400 -0.047 0.000 2.417 442 D HA 0.163 4.794 4.640 -0.015 0.000 0.250 442 D C 0.510 176.793 176.300 -0.030 0.000 1.166 442 D CA 0.217 54.194 54.000 -0.038 0.000 0.881 442 D CB 0.544 41.322 40.800 -0.036 0.000 1.164 442 D HN 0.345 nan 8.370 nan 0.000 0.467 443 I N 0.856 121.411 120.570 -0.025 0.000 2.354 443 I HA 0.406 4.567 4.170 -0.015 0.000 0.292 443 I C 0.541 176.648 176.117 -0.016 0.000 0.989 443 I CA -0.547 60.742 61.300 -0.019 0.000 1.188 443 I CB 1.577 39.567 38.000 -0.016 0.000 1.342 443 I HN 0.256 nan 8.210 nan 0.000 0.457 444 T N 7.082 121.628 114.554 -0.015 0.000 2.840 444 T HA 0.614 4.955 4.350 -0.015 0.000 0.287 444 T C -0.282 174.412 174.700 -0.010 0.000 0.991 444 T CA -0.125 61.967 62.100 -0.013 0.000 0.964 444 T CB 0.948 69.808 68.868 -0.013 0.000 0.954 444 T HN 0.593 nan 8.240 nan 0.000 0.438 445 L N 3.140 124.357 121.223 -0.009 0.000 2.325 445 L HA 0.363 4.694 4.340 -0.015 0.000 0.284 445 L C 1.195 178.060 176.870 -0.007 0.000 1.089 445 L CA -0.607 54.229 54.840 -0.008 0.000 0.836 445 L CB -0.327 41.728 42.059 -0.007 0.000 1.184 445 L HN 0.864 nan 8.230 nan 0.000 0.444 446 N N 2.438 121.134 118.700 -0.007 0.000 2.402 446 N HA 0.311 5.042 4.740 -0.015 0.000 0.259 446 N C 0.500 176.007 175.510 -0.005 0.000 1.167 446 N CA 0.401 53.448 53.050 -0.006 0.000 0.949 446 N CB -0.262 38.222 38.487 -0.006 0.000 1.212 446 N HN 0.799 nan 8.380 nan 0.000 0.493 447 N N 0.768 119.465 118.700 -0.005 0.000 2.124 447 N HA 0.139 4.870 4.740 -0.015 0.000 0.227 447 N C 1.353 176.861 175.510 -0.004 0.000 1.268 447 N CA 0.762 53.810 53.050 -0.004 0.000 0.864 447 N CB -0.354 38.131 38.487 -0.004 0.000 1.070 447 N HN 1.403 nan 8.380 nan 0.000 0.452 448 S N -1.527 114.171 115.700 -0.003 0.000 2.906 448 S HA 0.216 4.677 4.470 -0.015 0.000 0.254 448 S C 0.862 175.461 174.600 -0.002 0.000 1.432 448 S CA 0.364 58.562 58.200 -0.003 0.000 0.997 448 S CB -0.513 62.686 63.200 -0.002 0.000 0.928 448 S HN 1.955 nan 8.310 nan 0.000 0.553 449 V N -1.877 118.037 119.914 -0.001 0.000 2.318 449 V HA 0.795 4.906 4.120 -0.015 0.000 0.271 449 V C 0.210 176.305 176.094 0.001 0.000 1.030 449 V CA -0.709 61.591 62.300 -0.000 0.000 0.844 449 V CB -0.190 31.633 31.823 0.001 0.000 1.015 449 V HN 1.078 nan 8.190 nan 0.000 0.460 450 A N 6.452 129.272 122.820 0.001 0.000 2.331 450 A HA 0.810 5.121 4.320 -0.015 0.000 0.283 450 A C -0.278 177.307 177.584 0.002 0.000 1.142 450 A CA -0.596 51.442 52.037 0.001 0.000 0.812 450 A CB 0.543 19.544 19.000 0.000 0.000 1.074 450 A HN 0.972 nan 8.150 nan 0.000 0.497 451 L N 2.714 123.938 121.223 0.003 0.000 2.325 451 L HA 0.298 4.629 4.340 -0.015 0.000 0.281 451 L C -0.706 176.166 176.870 0.004 0.000 1.004 451 L CA -0.992 53.850 54.840 0.004 0.000 0.823 451 L CB 1.628 43.691 42.059 0.007 0.000 1.236 451 L HN 0.652 nan 8.230 nan 0.000 0.415 452 D N 4.664 125.066 120.400 0.003 0.000 2.443 452 D HA 0.137 4.768 4.640 -0.015 0.000 0.239 452 D C -1.765 174.537 176.300 0.004 0.000 1.136 452 D CA -0.505 53.497 54.000 0.003 0.000 0.879 452 D CB 0.620 41.421 40.800 0.002 0.000 1.195 452 D HN 0.321 nan 8.370 nan 0.000 0.443 453 P HA 0.129 nan 4.420 nan 0.000 0.271 453 P C 0.009 177.312 177.300 0.004 0.000 1.244 453 P CA -0.452 62.651 63.100 0.004 0.000 0.793 453 P CB 1.032 32.734 31.700 0.004 0.000 0.984 454 I N 0.503 121.076 120.570 0.005 0.000 2.472 454 I HA 0.185 4.346 4.170 -0.015 0.000 0.290 454 I C -0.257 175.862 176.117 0.003 0.000 1.016 454 I CA -0.067 61.236 61.300 0.004 0.000 1.348 454 I CB 0.630 38.633 38.000 0.005 0.000 1.417 454 I HN 0.293 nan 8.210 nan 0.000 0.521 455 D N 8.039 128.439 120.400 0.002 0.000 2.620 455 D HA 0.301 4.932 4.640 -0.015 0.000 0.252 455 D C 0.029 176.329 176.300 0.001 0.000 1.207 455 D CA -0.348 53.652 54.000 0.001 0.000 0.884 455 D CB 1.474 42.275 40.800 0.001 0.000 1.262 455 D HN 0.634 nan 8.370 nan 0.000 0.552 456 I N 0.741 121.312 120.570 0.001 0.000 4.442 456 I HA 0.099 4.260 4.170 -0.015 0.000 0.331 456 I C 1.430 177.548 176.117 0.001 0.000 1.364 456 I CA -0.406 60.894 61.300 0.000 0.000 1.207 456 I CB 0.357 38.357 38.000 -0.000 0.000 1.298 456 I HN 0.099 nan 8.210 nan 0.000 0.463 457 S N 2.055 117.756 115.700 0.001 0.000 2.465 457 S HA -0.109 4.352 4.470 -0.015 0.000 0.241 457 S C 1.664 176.264 174.600 0.001 0.000 1.000 457 S CA 1.290 59.490 58.200 0.001 0.000 0.964 457 S CB -0.876 62.325 63.200 0.001 0.000 0.763 457 S HN 0.672 nan 8.310 nan 0.000 0.512 458 I N 2.193 122.764 120.570 0.001 0.000 2.141 458 I HA 0.049 4.210 4.170 -0.015 0.000 0.236 458 I C 3.222 179.340 176.117 0.002 0.000 1.071 458 I CA 1.305 62.606 61.300 0.001 0.000 1.345 458 I CB -1.519 36.481 38.000 0.001 0.000 1.066 458 I HN 0.410 nan 8.210 nan 0.000 0.406 459 E N 1.907 122.108 120.200 0.002 0.000 2.171 459 E HA -0.167 4.173 4.350 -0.015 0.000 0.197 459 E C 2.086 178.688 176.600 0.003 0.000 0.997 459 E CA 1.614 58.016 56.400 0.002 0.000 0.810 459 E CB -1.107 28.593 29.700 0.001 0.000 0.738 459 E HN 0.553 nan 8.360 nan 0.000 0.467 460 L N 0.167 121.392 121.223 0.003 0.000 2.109 460 L HA -0.095 4.236 4.340 -0.015 0.000 0.207 460 L C 2.400 179.272 176.870 0.004 0.000 1.086 460 L CA 1.056 55.898 54.840 0.003 0.000 0.760 460 L CB -0.146 41.914 42.059 0.003 0.000 0.910 460 L HN 0.292 nan 8.230 nan 0.000 0.437 461 N N 0.297 118.999 118.700 0.003 0.000 2.216 461 N HA -0.133 4.598 4.740 -0.015 0.000 0.183 461 N C 1.574 177.086 175.510 0.005 0.000 1.017 461 N CA 0.988 54.040 53.050 0.003 0.000 0.861 461 N CB 0.001 38.489 38.487 0.002 0.000 0.986 461 N HN 0.267 nan 8.380 nan 0.000 0.428 462 K N 0.514 120.917 120.400 0.006 0.000 2.519 462 K HA 0.029 4.340 4.320 -0.015 0.000 0.196 462 K C 1.534 178.141 176.600 0.011 0.000 1.041 462 K CA 0.500 56.792 56.287 0.009 0.000 0.954 462 K CB 0.164 32.669 32.500 0.009 0.000 0.774 462 K HN 0.138 nan 8.250 nan 0.000 0.480 463 A N 1.511 124.337 122.820 0.010 0.000 1.881 463 A HA -0.046 4.265 4.320 -0.015 0.000 0.210 463 A C 2.327 179.918 177.584 0.012 0.000 1.239 463 A CA 1.252 53.296 52.037 0.012 0.000 0.629 463 A CB -0.554 18.452 19.000 0.009 0.000 0.906 463 A HN 0.212 nan 8.150 nan 0.000 0.460 464 K N 0.049 120.454 120.400 0.009 0.000 2.032 464 K HA -0.120 4.191 4.320 -0.015 0.000 0.209 464 K C 2.255 178.860 176.600 0.008 0.000 1.048 464 K CA 2.239 58.531 56.287 0.007 0.000 0.927 464 K CB -1.469 31.033 32.500 0.004 0.000 0.712 464 K HN 0.440 nan 8.250 nan 0.000 0.441 465 S N 1.368 117.072 115.700 0.006 0.000 2.369 465 S HA -0.209 4.252 4.470 -0.015 0.000 0.225 465 S C 1.901 176.509 174.600 0.012 0.000 1.043 465 S CA 1.476 59.678 58.200 0.004 0.000 1.074 465 S CB -0.446 62.756 63.200 0.004 0.000 0.962 465 S HN 0.657 nan 8.310 nan 0.000 0.433 466 D N 1.049 121.462 120.400 0.023 0.000 2.182 466 D HA -0.066 4.565 4.640 -0.015 0.000 0.201 466 D C 1.894 178.222 176.300 0.046 0.000 0.986 466 D CA 0.778 54.802 54.000 0.041 0.000 0.847 466 D CB -0.219 40.606 40.800 0.042 0.000 0.942 466 D HN 0.326 nan 8.370 nan 0.000 0.467 467 L N 0.941 122.183 121.223 0.031 0.000 2.093 467 L HA -0.130 4.201 4.340 -0.015 0.000 0.208 467 L C 2.328 179.214 176.870 0.025 0.000 1.085 467 L CA 0.873 55.732 54.840 0.032 0.000 0.755 467 L CB -0.277 41.795 42.059 0.021 0.000 0.904 467 L HN -0.076 nan 8.230 nan 0.000 0.435 468 E N -0.040 120.166 120.200 0.009 0.000 2.204 468 E HA -0.227 4.114 4.350 -0.015 0.000 0.194 468 E C 1.890 178.471 176.600 -0.031 0.000 0.989 468 E CA 0.812 57.205 56.400 -0.011 0.000 0.824 468 E CB 0.054 29.743 29.700 -0.019 0.000 0.756 468 E HN 0.527 nan 8.360 nan 0.000 0.477 469 E N 0.429 120.620 120.200 -0.015 0.000 2.076 469 E HA -0.103 4.238 4.350 -0.015 0.000 0.190 469 E C 2.106 178.713 176.600 0.012 0.000 0.979 469 E CA 0.770 57.138 56.400 -0.054 0.000 0.807 469 E CB 0.098 29.812 29.700 0.025 0.000 0.761 469 E HN 0.028 nan 8.360 nan 0.000 0.454 470 S N 0.061 115.832 115.700 0.118 0.000 2.368 470 S HA -0.227 4.234 4.470 -0.015 0.000 0.225 470 S C 2.278 176.953 174.600 0.124 0.000 1.030 470 S CA 2.244 60.555 58.200 0.185 0.000 0.999 470 S CB -0.350 62.924 63.200 0.123 0.000 0.844 470 S HN 0.357 nan 8.310 nan 0.000 0.459 471 K N 0.920 121.350 120.400 0.051 0.000 2.074 471 K HA -0.122 4.189 4.320 -0.015 0.000 0.209 471 K C 1.868 178.475 176.600 0.012 0.000 1.048 471 K CA 2.124 58.428 56.287 0.028 0.000 0.926 471 K CB -1.382 31.120 32.500 0.004 0.000 0.713 471 K HN 0.673 nan 8.250 nan 0.000 0.444 472 E N -0.831 119.337 120.200 -0.053 0.000 2.047 472 E HA -0.133 4.208 4.350 -0.015 0.000 0.191 472 E C 1.865 178.412 176.600 -0.088 0.000 0.987 472 E CA 1.514 57.834 56.400 -0.133 0.000 0.799 472 E CB -0.504 29.029 29.700 -0.278 0.000 0.752 472 E HN 0.733 nan 8.360 nan 0.000 0.449 473 W N -0.008 121.291 121.300 -0.001 0.000 2.364 473 W HA -0.150 4.500 4.660 -0.016 0.000 0.281 473 W C 1.815 178.334 176.519 -0.001 0.000 1.219 473 W CA -0.042 57.303 57.345 -0.001 0.000 1.220 473 W CB 0.029 29.489 29.460 -0.001 0.000 1.127 473 W HN 0.180 nan 8.180 nan 0.000 0.556 474 I N -0.104 120.600 120.570 0.223 0.000 2.235 474 I HA -0.178 3.983 4.170 -0.015 0.000 0.241 474 I C 2.528 178.701 176.117 0.092 0.000 1.085 474 I CA 1.313 62.694 61.300 0.134 0.000 1.378 474 I CB -1.376 36.678 38.000 0.090 0.000 1.076 474 I HN 0.003 nan 8.210 nan 0.000 0.415 475 R N 0.878 121.413 120.500 0.059 0.000 2.133 475 R HA -0.204 4.127 4.340 -0.015 0.000 0.247 475 R C 2.374 178.699 176.300 0.042 0.000 1.151 475 R CA 1.572 57.690 56.100 0.030 0.000 0.971 475 R CB -0.049 30.250 30.300 -0.003 0.000 0.866 475 R HN 0.338 nan 8.270 nan 0.000 0.447 476 R N -0.716 119.826 120.500 0.070 0.000 2.057 476 R HA -0.073 4.258 4.340 -0.015 0.000 0.229 476 R C 2.494 178.860 176.300 0.110 0.000 1.136 476 R CA 1.541 57.698 56.100 0.095 0.000 0.952 476 R CB -0.478 29.918 30.300 0.161 0.000 0.848 476 R HN 0.159 nan 8.270 nan 0.000 0.430 477 S N 0.965 116.748 115.700 0.138 0.000 2.387 477 S HA -0.169 4.292 4.470 -0.015 0.000 0.230 477 S C 1.648 176.284 174.600 0.061 0.000 1.035 477 S CA 1.475 59.732 58.200 0.095 0.000 1.014 477 S CB -0.222 63.030 63.200 0.087 0.000 0.836 477 S HN 0.281 nan 8.310 nan 0.000 0.466 478 N N 1.658 120.391 118.700 0.055 0.000 2.039 478 N HA -0.154 4.577 4.740 -0.015 0.000 0.193 478 N C 2.024 177.553 175.510 0.031 0.000 1.044 478 N CA 1.864 54.936 53.050 0.037 0.000 0.847 478 N CB -0.850 37.656 38.487 0.031 0.000 1.030 478 N HN 0.859 nan 8.380 nan 0.000 0.422 479 Q N 0.811 120.630 119.800 0.032 0.000 2.096 479 Q HA -0.126 4.205 4.340 -0.015 0.000 0.204 479 Q C 1.972 177.988 176.000 0.026 0.000 0.982 479 Q CA 2.397 58.215 55.803 0.025 0.000 0.850 479 Q CB -0.529 28.221 28.738 0.021 0.000 0.901 479 Q HN 0.262 nan 8.270 nan 0.000 0.422 480 K N 1.307 121.728 120.400 0.035 0.000 2.360 480 K HA -0.027 4.284 4.320 -0.015 0.000 0.201 480 K C 1.841 178.455 176.600 0.024 0.000 1.046 480 K CA 1.581 57.887 56.287 0.032 0.000 0.940 480 K CB -0.632 31.893 32.500 0.041 0.000 0.748 480 K HN 0.441 nan 8.250 nan 0.000 0.465 481 L N -0.113 121.124 121.223 0.023 0.000 2.253 481 L HA 0.001 4.332 4.340 -0.015 0.000 0.205 481 L C 1.450 178.329 176.870 0.014 0.000 1.078 481 L CA 0.364 55.215 54.840 0.018 0.000 0.805 481 L CB 0.034 42.103 42.059 0.018 0.000 0.963 481 L HN 0.305 nan 8.230 nan 0.000 0.459 482 D N -0.014 120.396 120.400 0.015 0.000 2.403 482 D HA -0.107 4.524 4.640 -0.015 0.000 0.227 482 D C 1.540 177.846 176.300 0.010 0.000 0.995 482 D CA 1.145 55.152 54.000 0.012 0.000 0.928 482 D CB 0.133 40.940 40.800 0.012 0.000 0.887 482 D HN 0.312 nan 8.370 nan 0.000 0.529 483 S N -0.148 115.559 115.700 0.012 0.000 2.588 483 S HA 0.147 4.608 4.470 -0.015 0.000 0.245 483 S C 0.410 175.015 174.600 0.009 0.000 1.021 483 S CA -0.616 57.590 58.200 0.010 0.000 1.006 483 S CB 0.150 63.357 63.200 0.012 0.000 0.830 483 S HN -0.093 nan 8.310 nan 0.000 0.468 484 I N 3.392 123.967 120.570 0.009 0.000 2.363 484 I HA 0.583 4.744 4.170 -0.015 0.000 0.292 484 I C 1.192 177.312 176.117 0.006 0.000 1.075 484 I CA 1.018 62.322 61.300 0.007 0.000 1.333 484 I CB -0.367 37.638 38.000 0.007 0.000 1.415 484 I HN 0.660 nan 8.210 nan 0.000 0.502 485 G N 0.000 108.803 108.800 0.005 0.000 5.446 485 G HA2 0.000 3.951 3.960 -0.015 0.000 0.244 485 G HA3 0.000 3.951 3.960 -0.015 0.000 0.244 485 G CA 0.000 45.103 45.100 0.004 0.000 0.502 485 G HN 0.000 nan 8.290 nan 0.000 0.925