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 2ceo_1_B DATA FIRST_RESID 20 DATA SEQUENCE YKMSSINADF AFNLYRRFTV ETPDKNIFFS PVSISAALVM LSFGACCSTQ DATA SEQUENCE TEIVETLGFN LTDTPMVEIQ HGFQHLICSL NFPKKELELQ IGNALFIGKH DATA SEQUENCE LKPLAKFLND VKTLYETEVF STDFSNISAA KQEINSHVEM QTKGKVVGLI DATA SEQUENCE QDLKPNTIMV LVNYIHFKAQ WANPFDPSKT EDSSSFLIDK TTTVQVPMMH DATA SEQUENCE QMEQYYHLVD MELNCTVLQM DYSKNALALF VLPKEGQMES VEAAMSSKTL DATA SEQUENCE KKWNRLLQKG WVDLFVPKFS ISATYDLGAT LLKMGIQHAY SENADFSGLT DATA SEQUENCE EDNGLKLSNA AHKAVLHIGE KGTEAAAVPE XXXXXXXXNT FLHPIIQIDR DATA SEQUENCE SFMLLILERS TRSILFLGKV VNPTE 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 20 Y HA 0.000 nan 4.550 nan 0.000 0.201 20 Y C 0.000 175.900 175.900 -0.001 0.000 1.272 20 Y CA 0.000 58.098 58.100 -0.004 0.000 1.940 20 Y CB 0.000 38.457 38.460 -0.006 0.000 1.050 21 K N 0.180 120.762 120.400 0.303 0.000 2.147 21 K HA -0.116 4.204 4.320 0.000 0.000 0.205 21 K C 1.745 178.452 176.600 0.178 0.000 1.049 21 K CA 2.204 58.592 56.287 0.169 0.000 0.936 21 K CB -0.057 32.507 32.500 0.107 0.000 0.722 21 K HN 0.718 nan 8.250 nan 0.000 0.446 22 M N 0.764 120.529 119.600 0.274 0.000 2.132 22 M HA -0.190 4.290 4.480 0.000 0.000 0.263 22 M C 1.804 178.212 176.300 0.180 0.000 1.065 22 M CA 1.619 57.068 55.300 0.248 0.000 1.122 22 M CB 0.051 32.737 32.600 0.143 0.000 1.365 22 M HN 0.027 nan 8.290 nan 0.000 0.411 23 S N -0.162 115.671 115.700 0.221 0.000 2.365 23 S HA -0.194 4.276 4.470 0.000 0.000 0.225 23 S C 1.962 176.571 174.600 0.017 0.000 1.039 23 S CA 1.798 60.028 58.200 0.050 0.000 1.033 23 S CB -0.633 62.526 63.200 -0.068 0.000 0.887 23 S HN 0.610 nan 8.310 nan 0.000 0.447 24 S N 1.003 116.722 115.700 0.033 0.000 2.356 24 S HA 0.030 4.501 4.470 0.000 0.000 0.223 24 S C 1.769 176.356 174.600 -0.022 0.000 1.032 24 S CA 0.906 59.112 58.200 0.010 0.000 1.005 24 S CB -0.405 62.807 63.200 0.021 0.000 0.867 24 S HN 0.460 nan 8.310 nan 0.000 0.449 25 I N 1.752 122.281 120.570 -0.067 0.000 2.394 25 I HA -0.131 4.040 4.170 0.000 0.000 0.251 25 I C 1.839 177.857 176.117 -0.165 0.000 1.136 25 I CA 0.760 61.934 61.300 -0.209 0.000 1.425 25 I CB -0.322 37.372 38.000 -0.509 0.000 1.079 25 I HN 0.279 nan 8.210 nan 0.000 0.425 26 N N 1.024 119.689 118.700 -0.058 0.000 2.300 26 N HA -0.035 4.705 4.740 0.000 0.000 0.179 26 N C 1.868 177.390 175.510 0.021 0.000 1.016 26 N CA 1.316 54.392 53.050 0.043 0.000 0.876 26 N CB -0.230 38.301 38.487 0.072 0.000 0.979 26 N HN 0.296 nan 8.380 nan 0.000 0.432 27 A N 0.974 123.755 122.820 -0.064 0.000 1.929 27 A HA -0.089 4.231 4.320 0.000 0.000 0.216 27 A C 1.751 179.193 177.584 -0.236 0.000 1.176 27 A CA 1.256 53.162 52.037 -0.219 0.000 0.628 27 A CB -0.267 18.673 19.000 -0.100 0.000 0.816 27 A HN 0.071 nan 8.150 nan 0.000 0.444 28 D N -0.941 119.456 120.400 -0.006 0.000 2.117 28 D HA -0.133 4.507 4.640 0.000 0.000 0.197 28 D C 1.613 177.956 176.300 0.072 0.000 0.987 28 D CA 1.204 55.257 54.000 0.089 0.000 0.829 28 D CB -0.402 40.436 40.800 0.063 0.000 0.961 28 D HN 0.455 nan 8.370 nan 0.000 0.460 29 F N 1.933 121.836 119.950 -0.078 0.000 2.126 29 F HA -0.188 4.339 4.527 0.000 0.000 0.299 29 F C 2.222 178.003 175.800 -0.032 0.000 1.096 29 F CA 1.581 59.551 58.000 -0.050 0.000 1.255 29 F CB -0.330 38.645 39.000 -0.041 0.000 0.997 29 F HN -0.069 nan 8.300 nan 0.000 0.479 30 A N 0.148 122.910 122.820 -0.097 0.000 1.892 30 A HA -0.234 4.087 4.320 0.000 0.000 0.218 30 A C 2.200 179.707 177.584 -0.128 0.000 1.188 30 A CA 2.097 54.022 52.037 -0.186 0.000 0.631 30 A CB -1.653 17.075 19.000 -0.455 0.000 0.822 30 A HN 0.517 nan 8.150 nan 0.000 0.447 31 F N -0.387 119.594 119.950 0.052 0.000 2.367 31 F HA -0.043 4.484 4.527 0.000 0.000 0.298 31 F C 2.248 178.087 175.800 0.066 0.000 1.094 31 F CA 0.931 58.977 58.000 0.077 0.000 1.409 31 F CB -0.306 38.700 39.000 0.009 0.000 1.064 31 F HN 0.272 nan 8.300 nan 0.000 0.528 32 N N 0.503 119.245 118.700 0.070 0.000 2.135 32 N HA -0.152 4.589 4.740 0.000 0.000 0.186 32 N C 1.751 177.120 175.510 -0.235 0.000 1.027 32 N CA 0.635 53.648 53.050 -0.061 0.000 0.849 32 N CB -0.173 38.257 38.487 -0.094 0.000 1.002 32 N HN 0.069 nan 8.380 nan 0.000 0.425 33 L N 0.466 121.397 121.223 -0.487 0.000 2.083 33 L HA -0.162 4.178 4.340 0.000 0.000 0.209 33 L C 1.954 178.435 176.870 -0.649 0.000 1.083 33 L CA 1.526 55.907 54.840 -0.764 0.000 0.752 33 L CB -0.824 40.617 42.059 -1.031 0.000 0.899 33 L HN 0.233 nan 8.230 nan 0.000 0.433 34 Y N 0.277 120.495 120.300 -0.137 0.000 2.145 34 Y HA -0.245 4.306 4.550 0.001 0.000 0.286 34 Y C 2.704 178.661 175.900 0.096 0.000 1.145 34 Y CA 1.951 60.190 58.100 0.231 0.000 1.148 34 Y CB -0.189 38.546 38.460 0.459 0.000 0.981 34 Y HN 0.114 nan 8.280 nan 0.000 0.507 35 R N -0.182 120.359 120.500 0.069 0.000 2.081 35 R HA -0.153 4.187 4.340 0.000 0.000 0.235 35 R C 2.341 178.555 176.300 -0.144 0.000 1.131 35 R CA 1.392 57.478 56.100 -0.023 0.000 0.960 35 R CB -0.200 30.138 30.300 0.065 0.000 0.856 35 R HN 0.261 nan 8.270 nan 0.000 0.436 36 R N 0.173 120.524 120.500 -0.248 0.000 2.103 36 R HA -0.142 4.199 4.340 0.000 0.000 0.242 36 R C 2.154 178.324 176.300 -0.218 0.000 1.142 36 R CA 1.520 57.449 56.100 -0.285 0.000 0.960 36 R CB -0.766 29.266 30.300 -0.448 0.000 0.858 36 R HN 0.331 nan 8.270 nan 0.000 0.439 37 F N 0.887 120.706 119.950 -0.217 0.000 2.216 37 F HA -0.199 4.328 4.527 0.000 0.000 0.300 37 F C 2.669 178.377 175.800 -0.153 0.000 1.085 37 F CA 1.291 59.179 58.000 -0.187 0.000 1.326 37 F CB -0.421 38.433 39.000 -0.243 0.000 1.027 37 F HN 0.186 nan 8.300 nan 0.000 0.497 38 T N -2.146 112.369 114.554 -0.064 0.000 2.995 38 T HA -0.109 4.242 4.350 0.000 0.000 0.269 38 T C 1.805 176.501 174.700 -0.006 0.000 1.091 38 T CA 1.178 63.240 62.100 -0.064 0.000 1.128 38 T CB -0.868 67.932 68.868 -0.113 0.000 0.891 38 T HN 0.243 nan 8.240 nan 0.000 0.492 39 V N -1.090 118.819 119.914 -0.008 0.000 2.725 39 V HA 0.135 4.255 4.120 0.000 0.000 0.247 39 V C 2.477 178.585 176.094 0.024 0.000 1.058 39 V CA 0.648 62.950 62.300 0.003 0.000 1.080 39 V CB -0.457 31.359 31.823 -0.011 0.000 0.713 39 V HN 0.175 nan 8.190 nan 0.000 0.465 40 E N 2.502 122.731 120.200 0.049 0.000 2.007 40 E HA -0.076 4.274 4.350 0.000 0.000 0.194 40 E C 1.341 177.987 176.600 0.077 0.000 0.999 40 E CA 2.106 58.554 56.400 0.081 0.000 0.811 40 E CB -0.663 29.132 29.700 0.159 0.000 0.762 40 E HN 0.819 nan 8.360 nan 0.000 0.450 41 T N 0.866 115.477 114.554 0.096 0.000 3.053 41 T HA 0.469 4.819 4.350 0.000 0.000 0.363 41 T C -2.759 171.972 174.700 0.053 0.000 1.239 41 T CA -2.183 59.958 62.100 0.068 0.000 1.071 41 T CB 1.422 70.333 68.868 0.072 0.000 1.089 41 T HN -0.225 nan 8.240 nan 0.000 0.527 42 P HA 0.324 nan 4.420 nan 0.000 0.275 42 P C 0.205 177.527 177.300 0.036 0.000 1.228 42 P CA 0.085 63.205 63.100 0.033 0.000 0.786 42 P CB 0.358 32.075 31.700 0.028 0.000 0.927 43 D N -0.755 119.670 120.400 0.041 0.000 2.911 43 D HA -0.180 4.460 4.640 0.000 0.000 0.227 43 D C -0.196 176.129 176.300 0.040 0.000 1.164 43 D CA 1.440 55.466 54.000 0.042 0.000 0.782 43 D CB -0.715 40.106 40.800 0.034 0.000 1.094 43 D HN 0.525 nan 8.370 nan 0.000 0.425 44 K N -0.219 120.208 120.400 0.046 0.000 2.443 44 K HA 0.320 4.640 4.320 0.000 0.000 0.251 44 K C 0.068 176.705 176.600 0.061 0.000 0.972 44 K CA -0.895 55.417 56.287 0.041 0.000 0.833 44 K CB 1.297 33.815 32.500 0.031 0.000 1.317 44 K HN -0.162 nan 8.250 nan 0.000 0.441 45 N N 1.343 120.074 118.700 0.051 0.000 2.407 45 N HA 0.086 4.826 4.740 0.000 0.000 0.250 45 N C -0.491 175.111 175.510 0.153 0.000 1.236 45 N CA 0.634 53.732 53.050 0.080 0.000 0.879 45 N CB 0.247 38.758 38.487 0.040 0.000 1.088 45 N HN 0.369 nan 8.380 nan 0.000 0.450 46 I N 1.309 122.039 120.570 0.266 0.000 2.647 46 I HA 0.447 4.617 4.170 0.000 0.000 0.295 46 I C -1.106 175.379 176.117 0.613 0.000 1.078 46 I CA -0.684 60.867 61.300 0.417 0.000 1.048 46 I CB 1.703 39.959 38.000 0.426 0.000 1.239 46 I HN 0.254 nan 8.210 nan 0.000 0.421 47 F N 7.776 128.007 119.950 0.468 0.000 2.749 47 F HA 0.521 5.048 4.527 0.000 0.000 0.339 47 F C -1.503 174.665 175.800 0.612 0.000 1.211 47 F CA -0.927 57.328 58.000 0.425 0.000 1.099 47 F CB 1.274 40.435 39.000 0.269 0.000 1.359 47 F HN 0.310 nan 8.300 nan 0.000 0.549 48 F N 1.685 121.648 119.950 0.023 0.000 2.662 48 F HA 0.687 5.215 4.527 0.001 0.000 0.312 48 F C -1.013 174.810 175.800 0.038 0.000 1.113 48 F CA -1.309 56.814 58.000 0.204 0.000 0.951 48 F CB 1.582 40.737 39.000 0.258 0.000 1.344 48 F HN 0.190 nan 8.300 nan 0.000 0.462 49 S N 2.830 118.684 115.700 0.257 0.000 2.567 49 S HA 0.381 4.851 4.470 0.000 0.000 0.262 49 S C -1.716 172.830 174.600 -0.089 0.000 1.237 49 S CA -1.728 56.336 58.200 -0.227 0.000 1.093 49 S CB 0.206 63.223 63.200 -0.305 0.000 1.095 49 S HN 0.523 nan 8.310 nan 0.000 0.489 50 P HA -0.122 nan 4.420 nan 0.000 0.216 50 P C 1.540 178.907 177.300 0.111 0.000 1.150 50 P CA 0.965 64.186 63.100 0.200 0.000 0.843 50 P CB -0.013 31.743 31.700 0.094 0.000 0.787 51 V N 0.157 120.051 119.914 -0.034 0.000 2.427 51 V HA -0.190 3.931 4.120 0.000 0.000 0.248 51 V C 2.914 179.001 176.094 -0.010 0.000 1.051 51 V CA 2.318 64.610 62.300 -0.012 0.000 1.048 51 V CB -1.555 30.215 31.823 -0.089 0.000 0.666 51 V HN 0.239 nan 8.190 nan 0.000 0.456 52 S N -0.399 115.240 115.700 -0.101 0.000 2.368 52 S HA -0.132 4.338 4.470 0.000 0.000 0.225 52 S C 1.898 176.438 174.600 -0.101 0.000 1.030 52 S CA 1.596 59.721 58.200 -0.125 0.000 0.999 52 S CB -0.299 62.793 63.200 -0.180 0.000 0.844 52 S HN 0.520 nan 8.310 nan 0.000 0.459 53 I N 0.696 121.214 120.570 -0.086 0.000 2.163 53 I HA -0.123 4.047 4.170 0.000 0.000 0.240 53 I C 2.651 178.783 176.117 0.026 0.000 1.081 53 I CA 1.164 62.459 61.300 -0.009 0.000 1.353 53 I CB -0.561 37.502 38.000 0.104 0.000 1.054 53 I HN 0.250 nan 8.210 nan 0.000 0.407 54 S N 0.536 116.281 115.700 0.075 0.000 2.383 54 S HA -0.182 4.288 4.470 0.000 0.000 0.229 54 S C 2.124 176.704 174.600 -0.033 0.000 1.030 54 S CA 1.471 59.666 58.200 -0.008 0.000 1.002 54 S CB -0.280 63.010 63.200 0.151 0.000 0.829 54 S HN 0.550 nan 8.310 nan 0.000 0.467 55 A N 0.983 123.859 122.820 0.092 0.000 1.930 55 A HA 0.342 4.663 4.320 0.000 0.000 0.215 55 A C 2.294 179.812 177.584 -0.110 0.000 1.176 55 A CA 1.297 53.373 52.037 0.064 0.000 0.632 55 A CB -0.846 18.276 19.000 0.202 0.000 0.819 55 A HN 0.488 nan 8.150 nan 0.000 0.445 56 A N -0.019 122.750 122.820 -0.084 0.000 1.902 56 A HA -0.020 4.300 4.320 0.000 0.000 0.217 56 A C 2.142 179.651 177.584 -0.126 0.000 1.181 56 A CA 1.445 53.429 52.037 -0.087 0.000 0.623 56 A CB -0.555 18.425 19.000 -0.033 0.000 0.818 56 A HN 0.459 nan 8.150 nan 0.000 0.443 57 L N -0.712 120.423 121.223 -0.147 0.000 2.027 57 L HA -0.135 4.205 4.340 0.000 0.000 0.206 57 L C 2.535 179.260 176.870 -0.242 0.000 1.074 57 L CA 0.964 55.712 54.840 -0.154 0.000 0.745 57 L CB -0.618 41.354 42.059 -0.146 0.000 0.898 57 L HN 0.229 nan 8.230 nan 0.000 0.433 58 V N -0.233 119.432 119.914 -0.415 0.000 2.287 58 V HA -0.367 3.753 4.120 0.000 0.000 0.248 58 V C 2.527 178.337 176.094 -0.474 0.000 1.053 58 V CA 1.932 63.914 62.300 -0.529 0.000 1.027 58 V CB -0.529 30.696 31.823 -0.996 0.000 0.646 58 V HN 0.470 nan 8.190 nan 0.000 0.447 59 M N -0.253 119.004 119.600 -0.573 0.000 2.065 59 M HA -0.200 4.280 4.480 0.000 0.000 0.259 59 M C 2.236 178.394 176.300 -0.238 0.000 1.069 59 M CA 2.226 57.092 55.300 -0.723 0.000 1.110 59 M CB -0.888 31.391 32.600 -0.536 0.000 1.328 59 M HN 0.376 nan 8.290 nan 0.000 0.405 60 L N 0.670 121.833 121.223 -0.099 0.000 2.013 60 L HA -0.202 4.138 4.340 0.000 0.000 0.212 60 L C 2.729 179.683 176.870 0.140 0.000 1.073 60 L CA 2.636 57.519 54.840 0.072 0.000 0.753 60 L CB -1.068 41.022 42.059 0.052 0.000 0.890 60 L HN 0.578 nan 8.230 nan 0.000 0.432 61 S N -1.163 114.535 115.700 -0.004 0.000 2.383 61 S HA -0.308 4.162 4.470 0.000 0.000 0.229 61 S C 2.141 176.742 174.600 0.002 0.000 1.030 61 S CA 1.477 59.650 58.200 -0.045 0.000 1.002 61 S CB -0.977 62.144 63.200 -0.132 0.000 0.829 61 S HN 0.511 nan 8.310 nan 0.000 0.467 62 F N 2.455 122.338 119.950 -0.113 0.000 2.120 62 F HA 0.033 4.560 4.527 0.001 0.000 0.300 62 F C 2.208 178.074 175.800 0.109 0.000 1.095 62 F CA 1.619 59.597 58.000 -0.036 0.000 1.249 62 F CB -0.876 38.057 39.000 -0.111 0.000 0.995 62 F HN 0.352 nan 8.300 nan 0.000 0.480 63 G N -0.659 108.331 108.800 0.315 0.000 2.920 63 G HA2 0.315 4.276 3.960 0.000 0.000 0.208 63 G HA3 0.315 4.276 3.960 0.000 0.000 0.208 63 G C 0.377 175.290 174.900 0.022 0.000 1.159 63 G CA 0.336 45.522 45.100 0.143 0.000 0.784 63 G HN 0.586 nan 8.290 nan 0.000 0.535 64 A N -1.022 121.745 122.820 -0.088 0.000 2.281 64 A HA 0.697 5.017 4.320 0.000 0.000 0.329 64 A C -0.511 176.901 177.584 -0.286 0.000 1.122 64 A CA -0.437 51.394 52.037 -0.343 0.000 0.850 64 A CB 1.179 19.849 19.000 -0.551 0.000 1.207 64 A HN 0.243 nan 8.150 nan 0.000 0.495 65 C N -0.593 118.520 119.300 -0.311 0.000 2.707 65 C HA 0.668 5.128 4.460 0.000 0.000 0.313 65 C C 0.883 175.734 174.990 -0.231 0.000 1.209 65 C CA -0.278 58.601 59.018 -0.233 0.000 1.635 65 C CB -0.052 27.574 27.740 -0.190 0.000 2.206 65 C HN 1.284 nan 8.230 nan 0.000 0.485 66 C N 1.052 120.242 119.300 -0.183 0.000 0.168 66 C HA -0.246 4.214 4.460 0.000 0.000 0.017 66 C C 2.610 177.493 174.990 -0.178 0.000 0.171 66 C CA 1.352 60.269 59.018 -0.168 0.000 0.499 66 C CB -2.031 25.606 27.740 -0.172 0.000 3.212 66 C HN 1.239 nan 8.230 nan 0.000 1.118 67 S N 0.641 116.220 115.700 -0.202 0.000 2.419 67 S HA -0.175 4.295 4.470 0.000 0.000 0.235 67 S C 1.145 175.658 174.600 -0.144 0.000 1.019 67 S CA 2.555 60.650 58.200 -0.174 0.000 0.982 67 S CB -0.788 62.262 63.200 -0.250 0.000 0.789 67 S HN 0.868 nan 8.310 nan 0.000 0.490 68 T N 1.899 116.312 114.554 -0.234 0.000 2.708 68 T HA -0.130 4.220 4.350 0.000 0.000 0.266 68 T C 1.928 176.493 174.700 -0.225 0.000 1.037 68 T CA 1.619 63.583 62.100 -0.226 0.000 1.146 68 T CB -0.407 68.206 68.868 -0.425 0.000 0.865 68 T HN 0.602 nan 8.240 nan 0.000 0.435 69 Q N 0.286 119.940 119.800 -0.244 0.000 2.049 69 Q HA -0.125 4.215 4.340 0.000 0.000 0.198 69 Q C 2.396 178.321 176.000 -0.125 0.000 0.971 69 Q CA 1.528 57.215 55.803 -0.194 0.000 0.833 69 Q CB -0.267 28.352 28.738 -0.198 0.000 0.896 69 Q HN 0.430 nan 8.270 nan 0.000 0.434 70 T N 1.244 115.735 114.554 -0.105 0.000 2.653 70 T HA -0.227 4.123 4.350 0.000 0.000 0.268 70 T C 1.476 176.160 174.700 -0.028 0.000 1.035 70 T CA 1.870 63.934 62.100 -0.061 0.000 1.154 70 T CB -0.281 68.555 68.868 -0.052 0.000 0.862 70 T HN 0.421 nan 8.240 nan 0.000 0.441 71 E N 0.289 120.480 120.200 -0.015 0.000 2.085 71 E HA -0.095 4.255 4.350 0.000 0.000 0.194 71 E C 2.224 178.830 176.600 0.010 0.000 0.994 71 E CA 1.046 57.457 56.400 0.018 0.000 0.801 71 E CB -0.304 29.426 29.700 0.050 0.000 0.743 71 E HN 0.503 nan 8.360 nan 0.000 0.453 72 I N 0.481 121.037 120.570 -0.023 0.000 2.163 72 I HA -0.268 3.903 4.170 0.000 0.000 0.243 72 I C 2.316 178.411 176.117 -0.037 0.000 1.085 72 I CA 0.895 62.173 61.300 -0.037 0.000 1.347 72 I CB -0.271 37.683 38.000 -0.076 0.000 1.044 72 I HN 0.007 nan 8.210 nan 0.000 0.408 73 V N 0.572 120.463 119.914 -0.039 0.000 2.515 73 V HA -0.223 3.897 4.120 0.000 0.000 0.250 73 V C 2.227 178.406 176.094 0.141 0.000 1.058 73 V CA 1.722 64.025 62.300 0.006 0.000 1.064 73 V CB -0.635 31.151 31.823 -0.062 0.000 0.675 73 V HN 0.441 nan 8.190 nan 0.000 0.461 74 E N -0.432 119.818 120.200 0.083 0.000 2.230 74 E HA -0.099 4.252 4.350 0.000 0.000 0.192 74 E C 2.229 178.881 176.600 0.087 0.000 0.987 74 E CA 1.263 57.719 56.400 0.093 0.000 0.841 74 E CB -0.087 29.650 29.700 0.061 0.000 0.783 74 E HN 0.534 nan 8.360 nan 0.000 0.481 75 T N 1.340 115.941 114.554 0.078 0.000 2.904 75 T HA -0.063 4.287 4.350 0.000 0.000 0.267 75 T C 1.508 176.287 174.700 0.131 0.000 1.059 75 T CA 0.476 62.646 62.100 0.116 0.000 1.137 75 T CB 0.032 68.970 68.868 0.117 0.000 0.879 75 T HN -0.008 nan 8.240 nan 0.000 0.467 76 L N 0.489 121.701 121.223 -0.018 0.000 2.465 76 L HA 0.253 4.593 4.340 0.000 0.000 0.224 76 L C 1.995 178.781 176.870 -0.139 0.000 1.145 76 L CA 1.174 55.851 54.840 -0.272 0.000 0.834 76 L CB -1.097 40.913 42.059 -0.082 0.000 0.944 76 L HN 0.534 nan 8.230 nan 0.000 0.451 77 G N -2.569 106.216 108.800 -0.024 0.000 2.154 77 G HA2 -0.231 3.729 3.960 0.000 0.000 0.186 77 G HA3 -0.231 3.729 3.960 0.000 0.000 0.186 77 G C 0.164 174.891 174.900 -0.288 0.000 1.000 77 G CA -0.436 44.574 45.100 -0.149 0.000 0.664 77 G HN 0.157 nan 8.290 nan 0.000 0.513 78 F N 0.827 120.792 119.950 0.025 0.000 2.399 78 F HA 0.634 5.161 4.527 0.000 0.000 0.328 78 F C 0.537 176.348 175.800 0.018 0.000 1.084 78 F CA -1.145 56.871 58.000 0.027 0.000 1.053 78 F CB 1.285 40.302 39.000 0.028 0.000 1.209 78 F HN 0.015 nan 8.300 nan 0.000 0.502 79 N N 2.655 121.475 118.700 0.201 0.000 2.417 79 N HA 0.248 4.989 4.740 0.000 0.000 0.274 79 N C 0.250 175.822 175.510 0.103 0.000 0.987 79 N CA -0.251 52.867 53.050 0.114 0.000 0.912 79 N CB 1.398 39.928 38.487 0.073 0.000 1.177 79 N HN 0.705 nan 8.380 nan 0.000 0.490 80 L N 2.133 123.397 121.223 0.068 0.000 2.291 80 L HA -0.055 4.285 4.340 0.000 0.000 0.214 80 L C 1.821 178.708 176.870 0.027 0.000 1.120 80 L CA 0.870 55.733 54.840 0.039 0.000 0.799 80 L CB -0.168 41.901 42.059 0.016 0.000 0.925 80 L HN 0.551 nan 8.230 nan 0.000 0.446 81 T N -1.103 113.469 114.554 0.029 0.000 2.770 81 T HA -0.135 4.216 4.350 0.000 0.000 0.263 81 T C 1.382 176.098 174.700 0.027 0.000 1.039 81 T CA 1.178 63.291 62.100 0.022 0.000 1.142 81 T CB -0.118 68.762 68.868 0.019 0.000 0.868 81 T HN 0.273 nan 8.240 nan 0.000 0.435 82 D N 1.626 122.050 120.400 0.039 0.000 2.078 82 D HA -0.037 4.603 4.640 0.000 0.000 0.193 82 D C 1.213 177.540 176.300 0.045 0.000 0.990 82 D CA 1.323 55.350 54.000 0.045 0.000 0.827 82 D CB -0.268 40.569 40.800 0.060 0.000 0.975 82 D HN 0.509 nan 8.370 nan 0.000 0.451 83 T N -1.330 113.259 114.554 0.058 0.000 2.928 83 T HA 0.563 4.914 4.350 0.000 0.000 0.296 83 T C -2.977 171.735 174.700 0.020 0.000 1.000 83 T CA -1.922 60.204 62.100 0.043 0.000 0.989 83 T CB 2.737 71.645 68.868 0.067 0.000 1.005 83 T HN -0.274 nan 8.240 nan 0.000 0.442 84 P HA 0.299 nan 4.420 nan 0.000 0.274 84 P C 1.052 178.326 177.300 -0.044 0.000 1.256 84 P CA -0.850 62.239 63.100 -0.019 0.000 0.795 84 P CB 0.539 32.229 31.700 -0.018 0.000 1.038 85 M N 1.425 120.989 119.600 -0.060 0.000 2.108 85 M HA -0.137 4.343 4.480 0.000 0.000 0.261 85 M C 1.769 178.012 176.300 -0.094 0.000 1.066 85 M CA 1.756 57.005 55.300 -0.086 0.000 1.107 85 M CB -1.144 31.402 32.600 -0.089 0.000 1.356 85 M HN 0.119 nan 8.290 nan 0.000 0.406 86 V N -0.354 119.504 119.914 -0.093 0.000 2.407 86 V HA -0.268 3.852 4.120 0.000 0.000 0.248 86 V C 2.098 178.083 176.094 -0.181 0.000 1.055 86 V CA 2.459 64.664 62.300 -0.158 0.000 1.049 86 V CB -0.458 31.297 31.823 -0.114 0.000 0.662 86 V HN 0.689 nan 8.190 nan 0.000 0.455 87 E N -0.307 119.857 120.200 -0.060 0.000 2.077 87 E HA -0.212 4.139 4.350 0.000 0.000 0.193 87 E C 2.085 178.670 176.600 -0.024 0.000 0.989 87 E CA 1.929 58.327 56.400 -0.004 0.000 0.800 87 E CB -0.253 29.446 29.700 -0.001 0.000 0.746 87 E HN 0.716 nan 8.360 nan 0.000 0.452 88 I N 0.916 121.440 120.570 -0.076 0.000 2.286 88 I HA -0.322 3.849 4.170 0.000 0.000 0.248 88 I C 2.513 178.653 176.117 0.038 0.000 1.115 88 I CA 1.299 62.533 61.300 -0.111 0.000 1.392 88 I CB -0.207 37.607 38.000 -0.309 0.000 1.065 88 I HN 0.187 nan 8.210 nan 0.000 0.418 89 Q N -0.346 119.452 119.800 -0.002 0.000 2.020 89 Q HA -0.215 4.126 4.340 0.000 0.000 0.202 89 Q C 2.295 178.343 176.000 0.080 0.000 0.982 89 Q CA 1.411 57.264 55.803 0.082 0.000 0.838 89 Q CB -0.278 28.491 28.738 0.051 0.000 0.899 89 Q HN 0.532 nan 8.270 nan 0.000 0.423 90 H N -0.465 118.629 119.070 0.040 0.000 2.457 90 H HA -0.064 4.493 4.556 0.001 0.000 0.297 90 H C 2.083 177.399 175.328 -0.021 0.000 1.092 90 H CA 1.404 57.444 56.048 -0.013 0.000 1.309 90 H CB -0.566 29.176 29.762 -0.034 0.000 1.382 90 H HN 0.421 nan 8.280 nan 0.000 0.535 91 G N -0.564 108.294 108.800 0.095 0.000 2.394 91 G HA2 -0.178 3.782 3.960 0.000 0.000 0.214 91 G HA3 -0.178 3.782 3.960 0.000 0.000 0.214 91 G C 1.469 176.358 174.900 -0.020 0.000 1.176 91 G CA 0.143 45.228 45.100 -0.025 0.000 0.786 91 G HN 0.266 nan 8.290 nan 0.000 0.533 92 F N 1.055 121.005 119.950 0.001 0.000 2.234 92 F HA -0.018 4.510 4.527 0.001 0.000 0.299 92 F C 2.866 178.647 175.800 -0.030 0.000 1.087 92 F CA 1.423 59.441 58.000 0.030 0.000 1.340 92 F CB -0.120 38.931 39.000 0.085 0.000 1.031 92 F HN 0.175 nan 8.300 nan 0.000 0.500 93 Q N 0.030 119.865 119.800 0.059 0.000 2.062 93 Q HA -0.336 4.004 4.340 0.000 0.000 0.209 93 Q C 2.282 178.263 176.000 -0.031 0.000 0.996 93 Q CA 2.241 57.975 55.803 -0.115 0.000 0.859 93 Q CB -0.778 27.930 28.738 -0.050 0.000 0.920 93 Q HN 0.533 nan 8.270 nan 0.000 0.415 94 H N -0.180 118.852 119.070 -0.064 0.000 2.428 94 H HA -0.088 4.468 4.556 0.000 0.000 0.296 94 H C 2.250 177.553 175.328 -0.042 0.000 1.062 94 H CA 1.190 57.202 56.048 -0.061 0.000 1.350 94 H CB 0.228 29.950 29.762 -0.067 0.000 1.403 94 H HN 0.351 nan 8.280 nan 0.000 0.533 95 L N 0.801 121.994 121.223 -0.051 0.000 2.027 95 L HA -0.091 4.249 4.340 0.000 0.000 0.206 95 L C 2.342 179.159 176.870 -0.088 0.000 1.074 95 L CA 1.243 56.030 54.840 -0.089 0.000 0.745 95 L CB -0.550 41.416 42.059 -0.154 0.000 0.898 95 L HN 0.198 nan 8.230 nan 0.000 0.433 96 I N -1.114 119.434 120.570 -0.037 0.000 2.226 96 I HA -0.370 3.801 4.170 0.000 0.000 0.245 96 I C 2.763 178.854 176.117 -0.044 0.000 1.100 96 I CA 1.455 62.747 61.300 -0.013 0.000 1.374 96 I CB -0.462 37.551 38.000 0.023 0.000 1.057 96 I HN 0.542 nan 8.210 nan 0.000 0.413 97 C N -0.305 118.943 119.300 -0.087 0.000 2.429 97 C HA -0.158 4.302 4.460 0.000 0.000 0.277 97 C C 3.312 178.265 174.990 -0.061 0.000 1.262 97 C CA 1.653 60.627 59.018 -0.072 0.000 1.733 97 C CB -0.754 26.921 27.740 -0.108 0.000 2.010 97 C HN 0.557 nan 8.230 nan 0.000 0.483 98 S N -0.367 115.219 115.700 -0.190 0.000 2.383 98 S HA -0.040 4.430 4.470 0.000 0.000 0.227 98 S C 1.805 176.389 174.600 -0.027 0.000 1.026 98 S CA 1.520 59.611 58.200 -0.181 0.000 0.981 98 S CB -0.343 62.663 63.200 -0.325 0.000 0.818 98 S HN 0.689 nan 8.310 nan 0.000 0.472 99 L N 1.461 122.666 121.223 -0.029 0.000 2.005 99 L HA -0.071 4.269 4.340 0.000 0.000 0.207 99 L C 1.992 178.898 176.870 0.059 0.000 1.072 99 L CA 1.265 56.109 54.840 0.008 0.000 0.744 99 L CB -0.610 41.437 42.059 -0.020 0.000 0.895 99 L HN 0.268 nan 8.230 nan 0.000 0.433 100 N N -0.388 118.348 118.700 0.060 0.000 2.550 100 N HA -0.100 4.640 4.740 0.000 0.000 0.186 100 N C 0.165 175.731 175.510 0.094 0.000 1.110 100 N CA 0.306 53.399 53.050 0.072 0.000 0.912 100 N CB -0.342 38.176 38.487 0.050 0.000 0.968 100 N HN 0.086 nan 8.380 nan 0.000 0.448 101 F N 2.841 122.779 119.950 -0.020 0.000 2.533 101 F HA 0.154 4.682 4.527 0.000 0.000 0.378 101 F C -1.817 173.985 175.800 0.002 0.000 1.070 101 F CA -2.344 55.646 58.000 -0.016 0.000 1.172 101 F CB 0.559 39.539 39.000 -0.033 0.000 1.085 101 F HN -0.076 nan 8.300 nan 0.000 0.552 102 P HA 0.024 nan 4.420 nan 0.000 0.263 102 P C -1.194 176.019 177.300 -0.146 0.000 1.247 102 P CA 0.267 63.227 63.100 -0.233 0.000 0.876 102 P CB 0.136 31.658 31.700 -0.297 0.000 0.928 103 K N 2.261 122.676 120.400 0.025 0.000 2.098 103 K HA 0.239 4.560 4.320 0.000 0.000 0.261 103 K C 1.398 178.020 176.600 0.037 0.000 0.987 103 K CA -0.748 55.588 56.287 0.082 0.000 0.916 103 K CB 1.168 33.743 32.500 0.126 0.000 1.039 103 K HN 0.142 nan 8.250 nan 0.000 0.455 104 K N 1.444 121.870 120.400 0.042 0.000 2.032 104 K HA -0.255 4.066 4.320 0.000 0.000 0.218 104 K C 0.338 176.947 176.600 0.014 0.000 1.054 104 K CA 1.930 58.231 56.287 0.024 0.000 0.941 104 K CB 0.031 32.550 32.500 0.031 0.000 0.720 104 K HN 0.536 nan 8.250 nan 0.000 0.449 105 E N 0.064 120.276 120.200 0.021 0.000 2.609 105 E HA 0.147 4.497 4.350 0.000 0.000 0.208 105 E C -1.074 175.520 176.600 -0.009 0.000 1.013 105 E CA -0.255 56.151 56.400 0.009 0.000 1.093 105 E CB 0.560 30.273 29.700 0.021 0.000 1.129 105 E HN 0.025 nan 8.360 nan 0.000 0.450 106 L N 0.307 121.524 121.223 -0.010 0.000 2.464 106 L HA 0.375 4.716 4.340 0.000 0.000 0.266 106 L C -1.434 175.425 176.870 -0.019 0.000 0.965 106 L CA -0.436 54.383 54.840 -0.035 0.000 0.833 106 L CB 1.849 43.917 42.059 0.014 0.000 1.296 106 L HN -0.158 nan 8.230 nan 0.000 0.405 107 E N 4.815 124.980 120.200 -0.058 0.000 2.134 107 E HA 0.581 4.931 4.350 0.000 0.000 0.278 107 E C -1.539 175.075 176.600 0.023 0.000 0.959 107 E CA -0.666 55.744 56.400 0.017 0.000 0.783 107 E CB 2.190 31.942 29.700 0.086 0.000 1.095 107 E HN 0.439 nan 8.360 nan 0.000 0.399 108 L N 3.221 124.517 121.223 0.122 0.000 2.516 108 L HA 0.259 4.599 4.340 0.000 0.000 0.267 108 L C -1.687 175.283 176.870 0.167 0.000 0.957 108 L CA -0.154 54.780 54.840 0.157 0.000 0.860 108 L CB 1.921 44.067 42.059 0.145 0.000 1.265 108 L HN 0.562 nan 8.230 nan 0.000 0.403 109 Q N 5.153 125.081 119.800 0.214 0.000 2.269 109 Q HA 0.560 4.900 4.340 0.000 0.000 0.263 109 Q C -1.816 174.276 176.000 0.153 0.000 0.983 109 Q CA -0.458 55.461 55.803 0.193 0.000 0.777 109 Q CB 1.799 30.689 28.738 0.254 0.000 1.273 109 Q HN 0.777 nan 8.270 nan 0.000 0.440 110 I N 3.660 124.254 120.570 0.041 0.000 2.312 110 I HA 0.620 4.790 4.170 0.000 0.000 0.290 110 I C 0.260 176.281 176.117 -0.159 0.000 1.008 110 I CA -0.215 61.044 61.300 -0.068 0.000 1.226 110 I CB 1.471 39.428 38.000 -0.072 0.000 1.371 110 I HN 0.737 nan 8.210 nan 0.000 0.468 111 G N 4.506 113.006 108.800 -0.500 0.000 2.798 111 G HA2 0.758 4.718 3.960 0.000 0.000 0.286 111 G HA3 0.758 4.718 3.960 0.000 0.000 0.286 111 G C -1.766 172.597 174.900 -0.896 0.000 1.389 111 G CA -0.686 44.043 45.100 -0.618 0.000 0.894 111 G HN 0.664 nan 8.290 nan 0.000 0.488 112 N N -2.057 116.458 118.700 -0.309 0.000 3.171 112 N HA 0.648 5.388 4.740 0.000 0.000 0.239 112 N C -0.813 174.830 175.510 0.222 0.000 1.275 112 N CA -0.321 52.739 53.050 0.016 0.000 0.920 112 N CB 1.391 39.865 38.487 -0.023 0.000 1.554 112 N HN 1.015 nan 8.380 nan 0.000 0.504 113 A N 0.224 123.222 122.820 0.297 0.000 2.485 113 A HA 0.905 5.225 4.320 0.000 0.000 0.292 113 A C -1.610 176.018 177.584 0.074 0.000 1.147 113 A CA -0.741 51.390 52.037 0.157 0.000 0.750 113 A CB 1.274 20.375 19.000 0.169 0.000 1.331 113 A HN 0.578 nan 8.150 nan 0.000 0.419 114 L N 0.039 121.189 121.223 -0.120 0.000 2.386 114 L HA 0.609 4.949 4.340 0.000 0.000 0.271 114 L C -1.712 175.015 176.870 -0.238 0.000 0.993 114 L CA -0.214 54.599 54.840 -0.046 0.000 0.819 114 L CB 2.038 44.104 42.059 0.012 0.000 1.294 114 L HN 0.669 nan 8.230 nan 0.000 0.414 115 F N 3.885 123.967 119.950 0.220 0.000 2.430 115 F HA 0.533 5.060 4.527 0.000 0.000 0.362 115 F C -0.113 175.890 175.800 0.338 0.000 1.103 115 F CA -0.362 57.802 58.000 0.273 0.000 1.045 115 F CB 1.142 40.337 39.000 0.326 0.000 1.276 115 F HN 0.125 nan 8.300 nan 0.000 0.444 116 I N 2.209 122.964 120.570 0.308 0.000 2.433 116 I HA 0.451 4.621 4.170 0.000 0.000 0.292 116 I C 0.795 177.028 176.117 0.194 0.000 1.001 116 I CA -1.129 60.311 61.300 0.233 0.000 1.119 116 I CB 1.684 39.702 38.000 0.029 0.000 1.289 116 I HN 0.669 nan 8.210 nan 0.000 0.438 117 G N 4.456 113.441 108.800 0.308 0.000 2.163 117 G HA2 -0.125 3.835 3.960 0.000 0.000 0.239 117 G HA3 -0.125 3.835 3.960 0.000 0.000 0.239 117 G C 1.012 175.924 174.900 0.019 0.000 1.148 117 G CA -0.181 45.064 45.100 0.241 0.000 0.880 117 G HN 0.956 nan 8.290 nan 0.000 0.466 118 K N 1.756 122.205 120.400 0.082 0.000 2.160 118 K HA -0.254 4.067 4.320 0.000 0.000 0.206 118 K C 1.867 178.494 176.600 0.045 0.000 1.047 118 K CA 1.855 58.169 56.287 0.045 0.000 0.930 118 K CB -0.283 32.247 32.500 0.051 0.000 0.720 118 K HN 0.797 nan 8.250 nan 0.000 0.450 119 H N 0.925 120.013 119.070 0.031 0.000 2.524 119 H HA 0.081 4.637 4.556 0.001 0.000 0.282 119 H C 0.223 175.563 175.328 0.021 0.000 1.016 119 H CA 0.257 56.320 56.048 0.026 0.000 1.270 119 H CB -0.366 29.415 29.762 0.031 0.000 1.394 119 H HN 0.154 nan 8.280 nan 0.000 0.568 120 L N 1.800 122.729 121.223 -0.491 0.000 2.272 120 L HA 0.302 4.643 4.340 0.000 0.000 0.289 120 L C 0.200 176.976 176.870 -0.157 0.000 1.032 120 L CA -0.576 54.070 54.840 -0.323 0.000 0.810 120 L CB 1.734 43.558 42.059 -0.390 0.000 1.205 120 L HN -0.063 nan 8.230 nan 0.000 0.422 121 K N 5.755 126.098 120.400 -0.095 0.000 2.264 121 K HA 0.351 4.671 4.320 0.000 0.000 0.277 121 K C -2.309 174.255 176.600 -0.061 0.000 1.067 121 K CA -1.625 54.628 56.287 -0.058 0.000 0.900 121 K CB 1.002 33.484 32.500 -0.030 0.000 1.124 121 K HN 0.210 nan 8.250 nan 0.000 0.469 122 P HA 0.031 nan 4.420 nan 0.000 0.275 122 P C -0.531 176.778 177.300 0.015 0.000 1.228 122 P CA -0.258 62.816 63.100 -0.043 0.000 0.786 122 P CB 0.747 32.449 31.700 0.004 0.000 0.927 123 L N 1.782 123.025 121.223 0.034 0.000 2.456 123 L HA 0.106 4.447 4.340 0.000 0.000 0.272 123 L C 2.000 178.945 176.870 0.124 0.000 1.189 123 L CA -0.168 54.716 54.840 0.074 0.000 0.846 123 L CB 0.188 42.294 42.059 0.079 0.000 1.111 123 L HN 0.444 nan 8.230 nan 0.000 0.475 124 A N 3.188 126.055 122.820 0.078 0.000 1.902 124 A HA -0.171 4.150 4.320 0.000 0.000 0.217 124 A C 2.245 179.878 177.584 0.080 0.000 1.181 124 A CA 1.620 53.694 52.037 0.063 0.000 0.623 124 A CB -0.367 18.654 19.000 0.035 0.000 0.818 124 A HN 0.890 nan 8.150 nan 0.000 0.443 125 K N -1.364 119.097 120.400 0.102 0.000 2.009 125 K HA -0.204 4.116 4.320 0.000 0.000 0.210 125 K C 1.849 178.554 176.600 0.176 0.000 1.049 125 K CA 1.918 58.278 56.287 0.121 0.000 0.929 125 K CB -0.393 32.181 32.500 0.123 0.000 0.714 125 K HN 0.426 nan 8.250 nan 0.000 0.440 126 F N 1.846 121.853 119.950 0.095 0.000 2.095 126 F HA -0.245 4.282 4.527 0.001 0.000 0.298 126 F C 1.888 177.734 175.800 0.077 0.000 1.104 126 F CA 1.380 59.465 58.000 0.141 0.000 1.232 126 F CB -0.305 38.755 39.000 0.100 0.000 0.987 126 F HN 0.021 nan 8.300 nan 0.000 0.475 127 L N 0.232 121.512 121.223 0.095 0.000 1.990 127 L HA -0.336 4.004 4.340 0.000 0.000 0.213 127 L C 2.311 179.091 176.870 -0.150 0.000 1.072 127 L CA 2.320 57.128 54.840 -0.054 0.000 0.755 127 L CB -0.965 41.102 42.059 0.013 0.000 0.889 127 L HN 0.287 nan 8.230 nan 0.000 0.432 128 N N -0.221 118.432 118.700 -0.080 0.000 2.142 128 N HA -0.197 4.543 4.740 0.000 0.000 0.186 128 N C 1.466 176.900 175.510 -0.126 0.000 1.023 128 N CA 1.402 54.402 53.050 -0.084 0.000 0.852 128 N CB -0.021 38.443 38.487 -0.038 0.000 0.998 128 N HN 0.175 nan 8.380 nan 0.000 0.424 129 D N -0.516 119.807 120.400 -0.128 0.000 2.116 129 D HA -0.150 4.490 4.640 0.000 0.000 0.193 129 D C 2.011 178.135 176.300 -0.293 0.000 0.998 129 D CA 1.682 55.569 54.000 -0.187 0.000 0.836 129 D CB -0.402 40.352 40.800 -0.076 0.000 0.951 129 D HN 0.345 nan 8.370 nan 0.000 0.449 130 V N -0.890 118.796 119.914 -0.380 0.000 2.591 130 V HA -0.051 4.069 4.120 0.000 0.000 0.249 130 V C 2.192 178.189 176.094 -0.162 0.000 1.053 130 V CA 1.431 63.561 62.300 -0.283 0.000 1.068 130 V CB -0.525 30.963 31.823 -0.559 0.000 0.689 130 V HN -0.002 nan 8.190 nan 0.000 0.462 131 K N 0.437 120.726 120.400 -0.184 0.000 2.062 131 K HA -0.108 4.212 4.320 0.000 0.000 0.205 131 K C 2.223 178.758 176.600 -0.108 0.000 1.051 131 K CA 1.867 58.080 56.287 -0.124 0.000 0.941 131 K CB -0.300 32.126 32.500 -0.123 0.000 0.719 131 K HN 0.533 nan 8.250 nan 0.000 0.440 132 T N 1.042 115.518 114.554 -0.131 0.000 2.770 132 T HA -0.015 4.335 4.350 0.000 0.000 0.263 132 T C 1.572 176.165 174.700 -0.179 0.000 1.039 132 T CA 1.157 63.180 62.100 -0.128 0.000 1.142 132 T CB 0.047 68.846 68.868 -0.116 0.000 0.868 132 T HN 0.148 nan 8.240 nan 0.000 0.435 133 L N -1.481 119.570 121.223 -0.287 0.000 2.556 133 L HA 0.256 4.596 4.340 0.000 0.000 0.226 133 L C 1.005 177.467 176.870 -0.679 0.000 1.089 133 L CA 0.627 55.162 54.840 -0.509 0.000 0.864 133 L CB 0.199 41.825 42.059 -0.721 0.000 1.067 133 L HN 0.281 nan 8.230 nan 0.000 0.477 134 Y N -1.377 118.810 120.300 -0.189 0.000 2.563 134 Y HA 0.178 4.728 4.550 0.001 0.000 0.250 134 Y C 0.447 176.281 175.900 -0.110 0.000 1.126 134 Y CA -0.538 57.470 58.100 -0.153 0.000 1.231 134 Y CB 0.651 38.983 38.460 -0.213 0.000 1.288 134 Y HN 0.012 nan 8.280 nan 0.000 0.537 135 E N 1.165 121.366 120.200 0.002 0.000 2.389 135 E HA -0.178 4.172 4.350 0.000 0.000 0.243 135 E C -1.073 175.543 176.600 0.027 0.000 1.154 135 E CA 0.907 57.312 56.400 0.010 0.000 0.723 135 E CB -1.306 28.405 29.700 0.018 0.000 1.261 135 E HN 0.223 nan 8.360 nan 0.000 0.390 136 T N 1.155 115.706 114.554 -0.006 0.000 2.786 136 T HA 0.396 4.747 4.350 0.000 0.000 0.283 136 T C -0.283 174.366 174.700 -0.085 0.000 0.992 136 T CA -0.670 61.416 62.100 -0.022 0.000 0.954 136 T CB 1.262 70.093 68.868 -0.062 0.000 0.934 136 T HN 0.156 nan 8.240 nan 0.000 0.440 137 E N 1.856 122.013 120.200 -0.072 0.000 2.227 137 E HA 0.483 4.834 4.350 0.000 0.000 0.282 137 E C -0.772 175.544 176.600 -0.474 0.000 1.015 137 E CA -0.564 55.657 56.400 -0.299 0.000 0.823 137 E CB 1.230 30.756 29.700 -0.291 0.000 1.081 137 E HN 0.280 nan 8.360 nan 0.000 0.396 138 V N 4.844 124.418 119.914 -0.566 0.000 2.417 138 V HA 0.378 4.498 4.120 0.000 0.000 0.291 138 V C -0.746 174.944 176.094 -0.674 0.000 1.024 138 V CA -0.566 61.468 62.300 -0.444 0.000 0.861 138 V CB 0.508 32.246 31.823 -0.142 0.000 0.985 138 V HN 0.533 nan 8.190 nan 0.000 0.436 139 F N 1.992 121.731 119.950 -0.352 0.000 2.480 139 F HA 0.514 5.041 4.527 0.000 0.000 0.329 139 F C 0.635 176.357 175.800 -0.130 0.000 1.091 139 F CA -0.481 57.352 58.000 -0.277 0.000 0.972 139 F CB 2.120 40.858 39.000 -0.435 0.000 1.150 139 F HN 0.385 nan 8.300 nan 0.000 0.467 140 S N 1.874 117.643 115.700 0.115 0.000 2.434 140 S HA 0.497 4.967 4.470 0.000 0.000 0.318 140 S C -0.617 173.998 174.600 0.026 0.000 1.062 140 S CA -0.380 57.849 58.200 0.050 0.000 1.116 140 S CB -0.196 63.015 63.200 0.019 0.000 0.977 140 S HN 0.642 nan 8.310 nan 0.000 0.480 141 T N 3.387 117.901 114.554 -0.067 0.000 2.888 141 T HA 0.338 4.688 4.350 0.000 0.000 0.284 141 T C -0.861 173.582 174.700 -0.429 0.000 1.017 141 T CA -0.742 61.188 62.100 -0.284 0.000 1.022 141 T CB 1.366 69.936 68.868 -0.497 0.000 1.013 141 T HN 0.484 nan 8.240 nan 0.000 0.465 142 D N 1.086 121.286 120.400 -0.334 0.000 2.380 142 D HA 0.243 4.884 4.640 0.000 0.000 0.230 142 D C -0.295 175.861 176.300 -0.240 0.000 1.154 142 D CA -0.678 53.201 54.000 -0.201 0.000 0.859 142 D CB 0.149 40.902 40.800 -0.079 0.000 1.045 142 D HN 0.475 nan 8.370 nan 0.000 0.495 143 F N 1.196 121.185 119.950 0.066 0.000 2.692 143 F HA -0.004 4.523 4.527 0.000 0.000 0.303 143 F C 2.283 178.101 175.800 0.030 0.000 1.114 143 F CA -0.243 57.785 58.000 0.046 0.000 1.361 143 F CB 0.319 39.355 39.000 0.061 0.000 1.063 143 F HN 0.311 nan 8.300 nan 0.000 0.550 144 S N -1.171 114.618 115.700 0.147 0.000 2.593 144 S HA -0.002 4.468 4.470 0.000 0.000 0.217 144 S C 0.750 175.388 174.600 0.063 0.000 0.966 144 S CA 0.003 58.257 58.200 0.090 0.000 0.914 144 S CB -0.208 63.025 63.200 0.054 0.000 0.776 144 S HN 0.250 nan 8.310 nan 0.000 0.523 145 N N 1.696 120.432 118.700 0.060 0.000 2.844 145 N HA 0.272 5.012 4.740 0.000 0.000 0.268 145 N C 0.784 176.326 175.510 0.053 0.000 1.574 145 N CA -0.387 52.687 53.050 0.038 0.000 0.838 145 N CB 0.525 39.019 38.487 0.010 0.000 1.177 145 N HN 0.564 nan 8.380 nan 0.000 0.495 146 I N -1.525 119.091 120.570 0.078 0.000 2.502 146 I HA -0.185 3.986 4.170 0.000 0.000 0.258 146 I C 1.953 178.101 176.117 0.051 0.000 1.172 146 I CA 1.000 62.356 61.300 0.094 0.000 1.430 146 I CB -0.168 37.877 38.000 0.075 0.000 1.086 146 I HN 0.180 nan 8.210 nan 0.000 0.440 147 S N 1.593 117.309 115.700 0.027 0.000 2.335 147 S HA -0.071 4.399 4.470 0.000 0.000 0.217 147 S C 2.321 176.917 174.600 -0.006 0.000 1.032 147 S CA 1.299 59.504 58.200 0.008 0.000 0.985 147 S CB -0.468 62.734 63.200 0.004 0.000 0.896 147 S HN 0.638 nan 8.310 nan 0.000 0.445 148 A N 1.691 124.505 122.820 -0.010 0.000 1.908 148 A HA 0.142 4.462 4.320 0.000 0.000 0.218 148 A C 2.508 180.060 177.584 -0.053 0.000 1.181 148 A CA 2.078 54.097 52.037 -0.030 0.000 0.627 148 A CB -1.535 17.447 19.000 -0.030 0.000 0.818 148 A HN 0.845 nan 8.150 nan 0.000 0.445 149 A N -0.273 122.523 122.820 -0.041 0.000 1.908 149 A HA -0.213 4.107 4.320 0.000 0.000 0.218 149 A C 2.130 179.668 177.584 -0.076 0.000 1.181 149 A CA 1.993 53.990 52.037 -0.066 0.000 0.627 149 A CB -0.477 18.568 19.000 0.075 0.000 0.818 149 A HN 0.564 nan 8.150 nan 0.000 0.445 150 K N -0.955 119.426 120.400 -0.031 0.000 2.026 150 K HA -0.191 4.129 4.320 0.000 0.000 0.208 150 K C 2.443 178.987 176.600 -0.093 0.000 1.048 150 K CA 1.562 57.815 56.287 -0.058 0.000 0.929 150 K CB -0.196 32.290 32.500 -0.023 0.000 0.713 150 K HN 0.624 nan 8.250 nan 0.000 0.439 151 Q N 1.007 120.764 119.800 -0.071 0.000 2.124 151 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 151 Q C 1.789 177.734 176.000 -0.091 0.000 0.977 151 Q CA 1.431 57.194 55.803 -0.067 0.000 0.850 151 Q CB 0.149 28.859 28.738 -0.046 0.000 0.901 151 Q HN 0.341 nan 8.270 nan 0.000 0.429 152 E N 0.117 120.243 120.200 -0.123 0.000 2.038 152 E HA -0.207 4.144 4.350 0.000 0.000 0.195 152 E C 2.069 178.539 176.600 -0.217 0.000 1.000 152 E CA 1.429 57.737 56.400 -0.153 0.000 0.803 152 E CB -0.122 29.478 29.700 -0.167 0.000 0.750 152 E HN 0.404 nan 8.360 nan 0.000 0.448 153 I N 1.444 121.776 120.570 -0.397 0.000 2.142 153 I HA -0.290 3.881 4.170 0.000 0.000 0.240 153 I C 2.148 178.169 176.117 -0.160 0.000 1.078 153 I CA 0.832 61.795 61.300 -0.562 0.000 1.343 153 I CB -0.394 37.157 38.000 -0.749 0.000 1.046 153 I HN 0.083 nan 8.210 nan 0.000 0.405 154 N N 0.830 119.460 118.700 -0.116 0.000 2.104 154 N HA -0.179 4.562 4.740 0.000 0.000 0.190 154 N C 2.084 177.576 175.510 -0.030 0.000 1.024 154 N CA 1.996 55.018 53.050 -0.047 0.000 0.853 154 N CB -0.512 37.949 38.487 -0.043 0.000 1.008 154 N HN 0.440 nan 8.380 nan 0.000 0.424 155 S N 0.163 115.841 115.700 -0.036 0.000 2.382 155 S HA -0.182 4.288 4.470 0.000 0.000 0.228 155 S C 1.879 176.469 174.600 -0.016 0.000 1.027 155 S CA 0.929 59.112 58.200 -0.029 0.000 0.991 155 S CB -0.699 62.483 63.200 -0.030 0.000 0.823 155 S HN 0.441 nan 8.310 nan 0.000 0.469 156 H N 1.071 120.095 119.070 -0.075 0.000 2.387 156 H HA -0.001 4.555 4.556 0.001 0.000 0.299 156 H C 1.928 177.208 175.328 -0.080 0.000 1.090 156 H CA 1.868 57.886 56.048 -0.050 0.000 1.332 156 H CB -0.019 29.749 29.762 0.009 0.000 1.386 156 H HN 0.390 nan 8.280 nan 0.000 0.516 157 V N 0.844 120.719 119.914 -0.064 0.000 2.488 157 V HA -0.134 3.986 4.120 0.000 0.000 0.246 157 V C 2.439 178.417 176.094 -0.193 0.000 1.046 157 V CA 1.583 63.770 62.300 -0.189 0.000 1.053 157 V CB -0.366 31.456 31.823 -0.003 0.000 0.679 157 V HN 0.394 nan 8.190 nan 0.000 0.458 158 E N -0.177 119.958 120.200 -0.109 0.000 2.077 158 E HA -0.236 4.114 4.350 0.000 0.000 0.193 158 E C 2.238 178.766 176.600 -0.120 0.000 0.989 158 E CA 1.425 57.774 56.400 -0.085 0.000 0.800 158 E CB -0.071 29.598 29.700 -0.052 0.000 0.746 158 E HN 0.518 nan 8.360 nan 0.000 0.452 159 M N 0.241 119.747 119.600 -0.157 0.000 2.099 159 M HA -0.190 4.290 4.480 0.000 0.000 0.262 159 M C 2.077 178.238 176.300 -0.232 0.000 1.067 159 M CA 1.353 56.552 55.300 -0.169 0.000 1.124 159 M CB 0.051 32.557 32.600 -0.156 0.000 1.353 159 M HN 0.035 nan 8.290 nan 0.000 0.410 160 Q N -0.456 119.121 119.800 -0.372 0.000 2.167 160 Q HA -0.103 4.238 4.340 0.000 0.000 0.202 160 Q C 1.710 177.541 176.000 -0.282 0.000 0.970 160 Q CA 1.985 57.538 55.803 -0.417 0.000 0.855 160 Q CB -0.644 27.590 28.738 -0.839 0.000 0.911 160 Q HN 0.668 nan 8.270 nan 0.000 0.438 161 T N -2.726 111.701 114.554 -0.213 0.000 3.186 161 T HA 0.228 4.578 4.350 0.000 0.000 0.257 161 T C 0.128 174.831 174.700 0.005 0.000 1.029 161 T CA -0.375 61.720 62.100 -0.008 0.000 0.916 161 T CB -0.014 68.898 68.868 0.073 0.000 1.041 161 T HN 0.203 nan 8.240 nan 0.000 0.562 162 K N 0.924 121.259 120.400 -0.108 0.000 3.077 162 K HA -0.200 4.120 4.320 0.000 0.000 0.264 162 K C 1.104 177.691 176.600 -0.022 0.000 1.008 162 K CA 0.401 56.639 56.287 -0.082 0.000 0.740 162 K CB -2.090 30.349 32.500 -0.102 0.000 1.273 162 K HN 0.921 nan 8.250 nan 0.000 0.477 163 G N -0.547 108.238 108.800 -0.026 0.000 2.176 163 G HA2 -0.333 3.628 3.960 0.000 0.000 0.253 163 G HA3 -0.333 3.628 3.960 0.000 0.000 0.253 163 G C 0.912 175.818 174.900 0.009 0.000 0.979 163 G CA 0.593 45.685 45.100 -0.013 0.000 0.641 163 G HN 0.276 nan 8.290 nan 0.000 0.530 164 K N -0.249 120.174 120.400 0.039 0.000 2.005 164 K HA 0.169 4.489 4.320 0.000 0.000 0.206 164 K C 1.342 177.980 176.600 0.062 0.000 1.044 164 K CA 1.212 57.538 56.287 0.064 0.000 0.942 164 K CB -0.236 32.337 32.500 0.121 0.000 0.727 164 K HN 0.344 nan 8.250 nan 0.000 0.439 165 V N 3.668 123.625 119.914 0.071 0.000 2.338 165 V HA 0.118 4.238 4.120 0.000 0.000 0.255 165 V C -0.022 176.089 176.094 0.027 0.000 1.082 165 V CA -0.388 61.953 62.300 0.067 0.000 0.951 165 V CB 0.774 32.659 31.823 0.103 0.000 1.102 165 V HN -0.114 nan 8.190 nan 0.000 0.489 166 V N 3.319 123.244 119.914 0.019 0.000 2.483 166 V HA 0.765 4.885 4.120 0.000 0.000 0.295 166 V C 1.023 177.119 176.094 0.002 0.000 1.035 166 V CA 0.025 62.326 62.300 0.003 0.000 0.896 166 V CB 1.310 33.131 31.823 -0.003 0.000 0.986 166 V HN 1.050 nan 8.190 nan 0.000 0.447 167 G N 3.423 112.220 108.800 -0.005 0.000 2.350 167 G HA2 -0.219 3.742 3.960 0.000 0.000 0.298 167 G HA3 -0.219 3.742 3.960 0.000 0.000 0.298 167 G C 0.439 175.339 174.900 0.000 0.000 1.037 167 G CA 0.500 45.596 45.100 -0.007 0.000 1.074 167 G HN 0.953 nan 8.290 nan 0.000 0.511 168 L N -0.073 121.158 121.223 0.012 0.000 2.042 168 L HA 0.219 4.559 4.340 0.000 0.000 0.210 168 L C 1.542 178.426 176.870 0.024 0.000 1.076 168 L CA 1.680 56.539 54.840 0.032 0.000 0.749 168 L CB 0.000 42.102 42.059 0.071 0.000 0.893 168 L HN 0.496 nan 8.230 nan 0.000 0.432 169 I N 0.080 120.655 120.570 0.009 0.000 2.339 169 I HA 0.158 4.328 4.170 0.000 0.000 0.290 169 I C 0.612 176.727 176.117 -0.004 0.000 0.994 169 I CA -0.389 60.915 61.300 0.006 0.000 1.191 169 I CB 1.446 39.444 38.000 -0.003 0.000 1.343 169 I HN 0.193 nan 8.210 nan 0.000 0.458 170 Q N 2.693 122.491 119.800 -0.002 0.000 2.394 170 Q HA 0.111 4.451 4.340 0.000 0.000 0.218 170 Q C -0.235 175.762 176.000 -0.004 0.000 0.907 170 Q CA 0.691 56.490 55.803 -0.007 0.000 0.919 170 Q CB 0.536 29.267 28.738 -0.011 0.000 1.051 170 Q HN 0.615 nan 8.270 nan 0.000 0.538 171 D N 0.116 120.516 120.400 -0.001 0.000 2.549 171 D HA 0.437 5.077 4.640 0.000 0.000 0.251 171 D C -1.692 174.607 176.300 -0.002 0.000 1.153 171 D CA -0.446 53.553 54.000 -0.001 0.000 0.861 171 D CB 1.010 41.809 40.800 -0.001 0.000 1.207 171 D HN -0.158 nan 8.370 nan 0.000 0.543 172 L N 3.667 124.889 121.223 -0.003 0.000 2.446 172 L HA 0.426 4.767 4.340 0.000 0.000 0.268 172 L C -0.445 176.417 176.870 -0.014 0.000 0.975 172 L CA -0.537 54.295 54.840 -0.013 0.000 0.848 172 L CB 1.331 43.392 42.059 0.003 0.000 1.225 172 L HN 0.320 nan 8.230 nan 0.000 0.410 173 K N 5.155 125.536 120.400 -0.031 0.000 2.319 173 K HA 0.182 4.502 4.320 0.000 0.000 0.265 173 K C -1.691 174.895 176.600 -0.023 0.000 1.000 173 K CA -1.164 55.109 56.287 -0.025 0.000 0.943 173 K CB 0.381 32.863 32.500 -0.029 0.000 0.950 173 K HN 0.360 nan 8.250 nan 0.000 0.485 174 P HA -0.114 nan 4.420 nan 0.000 0.221 174 P C 0.631 177.937 177.300 0.011 0.000 1.150 174 P CA 1.071 64.182 63.100 0.017 0.000 0.800 174 P CB 0.172 31.883 31.700 0.018 0.000 0.787 175 N N -0.103 118.591 118.700 -0.011 0.000 2.120 175 N HA -0.093 4.647 4.740 0.000 0.000 0.188 175 N C -0.143 175.336 175.510 -0.052 0.000 1.024 175 N CA 0.992 54.033 53.050 -0.014 0.000 0.852 175 N CB -0.965 37.515 38.487 -0.012 0.000 1.003 175 N HN 0.051 nan 8.380 nan 0.000 0.424 176 T N -1.021 113.447 114.554 -0.143 0.000 2.517 176 T HA -0.139 4.211 4.350 0.000 0.000 0.229 176 T C 1.250 175.711 174.700 -0.399 0.000 1.039 176 T CA 0.428 62.324 62.100 -0.340 0.000 1.186 176 T CB -0.116 68.400 68.868 -0.587 0.000 1.016 176 T HN 0.217 nan 8.240 nan 0.000 0.475 177 I N 2.132 122.563 120.570 -0.231 0.000 3.194 177 I HA 0.305 4.476 4.170 0.000 0.000 0.271 177 I C 1.118 177.215 176.117 -0.032 0.000 1.150 177 I CA 0.241 61.515 61.300 -0.042 0.000 1.440 177 I CB 0.313 38.329 38.000 0.027 0.000 1.276 177 I HN 0.664 nan 8.210 nan 0.000 0.457 178 M N 1.246 120.782 119.600 -0.107 0.000 2.271 178 M HA 0.464 4.944 4.480 0.000 0.000 0.285 178 M C -1.980 174.304 176.300 -0.027 0.000 1.059 178 M CA -0.484 54.800 55.300 -0.027 0.000 0.940 178 M CB 2.263 34.794 32.600 -0.114 0.000 1.636 178 M HN -0.298 nan 8.290 nan 0.000 0.460 179 V N 5.275 125.266 119.914 0.128 0.000 2.417 179 V HA 0.513 4.634 4.120 0.000 0.000 0.291 179 V C -0.855 175.408 176.094 0.282 0.000 1.024 179 V CA -0.784 61.620 62.300 0.174 0.000 0.861 179 V CB 1.475 33.413 31.823 0.192 0.000 0.985 179 V HN 0.791 nan 8.190 nan 0.000 0.436 180 L N 6.678 128.024 121.223 0.205 0.000 2.296 180 L HA 0.759 5.099 4.340 0.000 0.000 0.286 180 L C -0.600 176.430 176.870 0.266 0.000 1.023 180 L CA 0.122 55.088 54.840 0.210 0.000 0.812 180 L CB 1.646 43.775 42.059 0.117 0.000 1.223 180 L HN 0.439 nan 8.230 nan 0.000 0.421 181 V N 5.411 125.522 119.914 0.329 0.000 2.531 181 V HA 0.559 4.680 4.120 0.000 0.000 0.301 181 V C -0.772 175.535 176.094 0.355 0.000 1.034 181 V CA -0.557 61.973 62.300 0.383 0.000 0.865 181 V CB 1.988 34.123 31.823 0.519 0.000 0.995 181 V HN 0.996 nan 8.190 nan 0.000 0.424 182 N N 3.831 122.732 118.700 0.335 0.000 2.240 182 N HA 0.829 5.569 4.740 0.000 0.000 0.302 182 N C -1.074 174.664 175.510 0.380 0.000 1.106 182 N CA -0.703 52.471 53.050 0.207 0.000 0.778 182 N CB 2.430 40.940 38.487 0.038 0.000 1.431 182 N HN 0.603 nan 8.380 nan 0.000 0.479 183 Y N -0.603 119.844 120.300 0.246 0.000 2.705 183 Y HA 0.703 5.254 4.550 0.000 0.000 0.332 183 Y C -1.728 174.287 175.900 0.191 0.000 1.221 183 Y CA -1.492 56.779 58.100 0.286 0.000 1.059 183 Y CB 1.242 39.852 38.460 0.251 0.000 1.298 183 Y HN 0.664 nan 8.280 nan 0.000 0.459 184 I N 1.417 122.257 120.570 0.451 0.000 2.692 184 I HA 0.427 4.597 4.170 0.000 0.000 0.293 184 I C -1.912 174.477 176.117 0.453 0.000 1.200 184 I CA -0.681 60.798 61.300 0.298 0.000 1.036 184 I CB 1.898 39.897 38.000 -0.002 0.000 1.258 184 I HN 0.992 nan 8.210 nan 0.000 0.421 185 H N 7.243 126.510 119.070 0.330 0.000 2.488 185 H HA 0.565 5.121 4.556 0.000 0.000 0.322 185 H C -2.120 173.416 175.328 0.347 0.000 1.078 185 H CA -0.308 55.917 56.048 0.296 0.000 1.260 185 H CB 1.247 31.136 29.762 0.211 0.000 1.425 185 H HN 0.459 nan 8.280 nan 0.000 0.471 186 F N 5.190 124.872 119.950 -0.447 0.000 2.562 186 F HA 0.435 4.962 4.527 0.000 0.000 0.319 186 F C -1.601 173.958 175.800 -0.402 0.000 1.154 186 F CA -0.838 56.967 58.000 -0.325 0.000 0.931 186 F CB 1.266 40.318 39.000 0.087 0.000 1.198 186 F HN 0.615 nan 8.300 nan 0.000 0.444 187 K N 5.128 125.034 120.400 -0.824 0.000 2.565 187 K HA 0.863 5.183 4.320 0.000 0.000 0.249 187 K C -2.044 174.132 176.600 -0.705 0.000 0.958 187 K CA -0.496 55.390 56.287 -0.669 0.000 0.806 187 K CB 1.611 33.925 32.500 -0.309 0.000 1.194 187 K HN 0.840 nan 8.250 nan 0.000 0.434 188 A N 3.198 125.573 122.820 -0.742 0.000 2.612 188 A HA 0.545 4.866 4.320 0.000 0.000 0.293 188 A C -1.903 175.506 177.584 -0.293 0.000 1.075 188 A CA -0.793 50.908 52.037 -0.560 0.000 0.680 188 A CB 1.891 20.324 19.000 -0.945 0.000 1.279 188 A HN 0.568 nan 8.150 nan 0.000 0.411 189 Q N -0.013 119.744 119.800 -0.071 0.000 2.306 189 Q HA 0.517 4.857 4.340 0.000 0.000 0.265 189 Q C -1.197 174.867 176.000 0.106 0.000 1.022 189 Q CA -0.020 55.765 55.803 -0.029 0.000 0.853 189 Q CB 1.185 29.930 28.738 0.012 0.000 1.327 189 Q HN 0.690 nan 8.270 nan 0.000 0.449 190 W N 0.927 122.301 121.300 0.125 0.000 2.193 190 W HA 0.182 4.842 4.660 0.000 0.000 0.338 190 W C 1.191 177.705 176.519 -0.008 0.000 1.310 190 W CA -0.156 57.176 57.345 -0.021 0.000 1.243 190 W CB 0.568 29.999 29.460 -0.048 0.000 1.165 190 W HN 0.855 nan 8.180 nan 0.000 0.566 191 A N 2.813 125.795 122.820 0.271 0.000 1.902 191 A HA -0.149 4.171 4.320 0.000 0.000 0.217 191 A C 0.810 178.414 177.584 0.033 0.000 1.181 191 A CA 1.102 53.213 52.037 0.122 0.000 0.623 191 A CB -0.326 18.726 19.000 0.087 0.000 0.818 191 A HN 0.639 nan 8.150 nan 0.000 0.443 192 N N 0.758 119.441 118.700 -0.028 0.000 2.816 192 N HA 0.346 5.087 4.740 0.000 0.000 0.236 192 N C -3.116 172.263 175.510 -0.219 0.000 1.076 192 N CA -1.338 51.611 53.050 -0.168 0.000 0.902 192 N CB 0.776 39.064 38.487 -0.331 0.000 1.149 192 N HN 0.143 nan 8.380 nan 0.000 0.506 193 P HA 0.116 nan 4.420 nan 0.000 0.269 193 P C -0.270 176.966 177.300 -0.107 0.000 1.209 193 P CA 0.129 63.276 63.100 0.077 0.000 0.776 193 P CB 0.413 32.189 31.700 0.127 0.000 0.876 194 F N 0.449 120.450 119.950 0.085 0.000 2.375 194 F HA 0.161 4.689 4.527 0.000 0.000 0.333 194 F C 1.362 177.170 175.800 0.013 0.000 1.104 194 F CA 0.026 58.026 58.000 0.000 0.000 1.149 194 F CB 0.382 39.371 39.000 -0.018 0.000 1.190 194 F HN 0.205 nan 8.300 nan 0.000 0.533 195 D N 3.773 124.272 120.400 0.165 0.000 2.339 195 D HA 0.149 4.789 4.640 0.000 0.000 0.256 195 D C -1.772 174.598 176.300 0.116 0.000 1.214 195 D CA -2.015 52.043 54.000 0.097 0.000 0.877 195 D CB 1.460 42.278 40.800 0.031 0.000 1.111 195 D HN 0.146 nan 8.370 nan 0.000 0.478 196 P HA -0.124 nan 4.420 nan 0.000 0.220 196 P C 1.267 178.607 177.300 0.067 0.000 1.148 196 P CA 0.913 64.065 63.100 0.087 0.000 0.803 196 P CB 0.126 31.873 31.700 0.079 0.000 0.782 197 S N -0.964 114.770 115.700 0.058 0.000 2.474 197 S HA -0.047 4.423 4.470 0.000 0.000 0.235 197 S C 1.635 176.271 174.600 0.060 0.000 0.997 197 S CA 0.784 59.015 58.200 0.051 0.000 0.949 197 S CB -0.728 62.496 63.200 0.039 0.000 0.766 197 S HN 0.081 nan 8.310 nan 0.000 0.517 198 K N 1.404 121.843 120.400 0.066 0.000 2.393 198 K HA 0.152 4.472 4.320 0.000 0.000 0.193 198 K C -0.008 176.667 176.600 0.125 0.000 1.026 198 K CA 0.207 56.548 56.287 0.091 0.000 1.064 198 K CB -0.048 32.472 32.500 0.032 0.000 0.833 198 K HN 0.366 nan 8.250 nan 0.000 0.521 199 T N 2.506 117.112 114.554 0.087 0.000 2.814 199 T HA 0.092 4.442 4.350 0.000 0.000 0.297 199 T C 0.160 174.906 174.700 0.077 0.000 0.956 199 T CA 0.011 62.152 62.100 0.070 0.000 1.123 199 T CB 1.012 69.903 68.868 0.038 0.000 0.902 199 T HN 0.060 nan 8.240 nan 0.000 0.528 200 E N 1.780 122.033 120.200 0.089 0.000 2.354 200 E HA 0.037 4.387 4.350 0.000 0.000 0.269 200 E C 0.618 177.249 176.600 0.052 0.000 1.036 200 E CA -0.425 56.019 56.400 0.073 0.000 0.876 200 E CB 0.817 30.563 29.700 0.077 0.000 1.009 200 E HN 0.549 nan 8.360 nan 0.000 0.416 201 D N 0.903 121.329 120.400 0.044 0.000 2.183 201 D HA -0.076 4.565 4.640 0.000 0.000 0.203 201 D C -0.103 176.216 176.300 0.032 0.000 0.969 201 D CA 0.828 54.850 54.000 0.036 0.000 0.842 201 D CB 0.383 41.202 40.800 0.032 0.000 0.957 201 D HN 0.193 nan 8.370 nan 0.000 0.484 202 S N -0.438 115.280 115.700 0.030 0.000 2.446 202 S HA 0.454 4.924 4.470 0.000 0.000 0.230 202 S C -1.344 173.271 174.600 0.026 0.000 1.051 202 S CA -0.641 57.575 58.200 0.027 0.000 1.113 202 S CB 0.431 63.644 63.200 0.022 0.000 1.184 202 S HN -0.040 nan 8.310 nan 0.000 0.435 203 S N 2.543 118.263 115.700 0.033 0.000 2.532 203 S HA 0.599 5.070 4.470 0.000 0.000 0.301 203 S C -0.229 174.403 174.600 0.055 0.000 1.083 203 S CA -0.684 57.534 58.200 0.029 0.000 1.025 203 S CB 1.803 65.018 63.200 0.024 0.000 1.056 203 S HN 0.696 nan 8.310 nan 0.000 0.494 204 S N 2.068 117.789 115.700 0.035 0.000 2.531 204 S HA 0.418 4.888 4.470 0.000 0.000 0.279 204 S C -0.781 173.884 174.600 0.108 0.000 1.305 204 S CA -0.223 58.008 58.200 0.053 0.000 1.058 204 S CB -0.155 63.046 63.200 0.003 0.000 0.899 204 S HN 0.554 nan 8.310 nan 0.000 0.493 205 F N 3.461 123.393 119.950 -0.029 0.000 2.579 205 F HA 0.485 5.013 4.527 0.000 0.000 0.325 205 F C -1.361 174.427 175.800 -0.019 0.000 1.162 205 F CA -1.113 56.872 58.000 -0.025 0.000 0.946 205 F CB 0.650 39.635 39.000 -0.024 0.000 1.211 205 F HN 0.301 nan 8.300 nan 0.000 0.447 206 L N 7.239 128.215 121.223 -0.412 0.000 2.367 206 L HA 0.297 4.637 4.340 0.000 0.000 0.275 206 L C 1.005 177.755 176.870 -0.199 0.000 1.129 206 L CA 0.332 55.028 54.840 -0.241 0.000 0.839 206 L CB 1.050 42.968 42.059 -0.234 0.000 1.133 206 L HN 0.777 nan 8.230 nan 0.000 0.453 207 I N -2.078 118.499 120.570 0.012 0.000 3.971 207 I HA 0.388 4.558 4.170 0.000 0.000 0.303 207 I C 0.625 176.761 176.117 0.030 0.000 1.233 207 I CA 0.030 61.379 61.300 0.081 0.000 1.346 207 I CB 0.371 38.455 38.000 0.139 0.000 1.273 207 I HN 0.519 nan 8.210 nan 0.000 0.448 208 D N 0.922 121.330 120.400 0.014 0.000 2.509 208 D HA 0.310 4.950 4.640 0.000 0.000 0.275 208 D C 0.793 177.086 176.300 -0.011 0.000 1.189 208 D CA -0.411 53.593 54.000 0.007 0.000 1.098 208 D CB 1.156 41.962 40.800 0.011 0.000 1.177 208 D HN -0.038 nan 8.370 nan 0.000 0.599 209 K N -1.481 118.913 120.400 -0.009 0.000 2.353 209 K HA 0.202 4.522 4.320 0.000 0.000 0.195 209 K C -0.174 176.417 176.600 -0.016 0.000 1.031 209 K CA 0.331 56.607 56.287 -0.017 0.000 1.079 209 K CB 0.897 33.391 32.500 -0.011 0.000 0.857 209 K HN 0.185 nan 8.250 nan 0.000 0.535 210 T N 1.121 115.670 114.554 -0.008 0.000 3.672 210 T HA 0.098 4.448 4.350 0.000 0.000 0.296 210 T C -0.829 173.871 174.700 0.001 0.000 0.979 210 T CA -0.455 61.642 62.100 -0.005 0.000 1.013 210 T CB 0.746 69.612 68.868 -0.003 0.000 1.184 210 T HN 0.073 nan 8.240 nan 0.000 0.477 211 T N 0.123 114.678 114.554 0.003 0.000 3.041 211 T HA 0.665 5.015 4.350 0.000 0.000 0.321 211 T C -0.504 174.209 174.700 0.022 0.000 1.184 211 T CA -0.925 61.183 62.100 0.014 0.000 1.050 211 T CB 2.044 70.926 68.868 0.023 0.000 1.159 211 T HN 0.171 nan 8.240 nan 0.000 0.469 212 T N -1.059 113.514 114.554 0.031 0.000 2.916 212 T HA 0.873 5.223 4.350 0.000 0.000 0.292 212 T C -0.176 174.571 174.700 0.078 0.000 1.055 212 T CA -0.892 61.241 62.100 0.055 0.000 1.009 212 T CB 1.585 70.472 68.868 0.031 0.000 1.118 212 T HN 1.367 nan 8.240 nan 0.000 0.497 213 V N -0.885 119.106 119.914 0.129 0.000 2.962 213 V HA 0.669 4.789 4.120 0.000 0.000 0.313 213 V C -1.037 175.111 176.094 0.091 0.000 1.099 213 V CA -1.222 61.133 62.300 0.091 0.000 0.971 213 V CB 1.996 33.858 31.823 0.066 0.000 1.028 213 V HN 0.827 nan 8.190 nan 0.000 0.430 214 Q N 2.205 122.033 119.800 0.046 0.000 2.361 214 Q HA 0.564 4.904 4.340 0.000 0.000 0.250 214 Q C -0.564 175.446 176.000 0.016 0.000 1.023 214 Q CA -0.056 55.770 55.803 0.039 0.000 0.915 214 Q CB 1.285 30.039 28.738 0.027 0.000 1.238 214 Q HN 0.730 nan 8.270 nan 0.000 0.451 215 V N 5.293 125.218 119.914 0.017 0.000 2.555 215 V HA 0.419 4.539 4.120 0.000 0.000 0.302 215 V C -2.106 173.999 176.094 0.019 0.000 1.038 215 V CA -2.106 60.181 62.300 -0.022 0.000 0.887 215 V CB 1.875 33.615 31.823 -0.138 0.000 0.991 215 V HN 0.592 nan 8.190 nan 0.000 0.434 216 P HA 0.178 nan 4.420 nan 0.000 0.268 216 P C -0.835 176.485 177.300 0.034 0.000 1.205 216 P CA -0.280 62.841 63.100 0.034 0.000 0.771 216 P CB 0.687 32.410 31.700 0.038 0.000 0.858 217 M N 3.859 123.485 119.600 0.044 0.000 2.085 217 M HA 0.332 4.812 4.480 0.000 0.000 0.309 217 M C -0.434 175.891 176.300 0.041 0.000 0.947 217 M CA -0.498 54.836 55.300 0.056 0.000 0.918 217 M CB 0.749 33.414 32.600 0.108 0.000 1.504 217 M HN 0.218 nan 8.290 nan 0.000 0.420 218 M N 3.639 123.177 119.600 -0.102 0.000 2.238 218 M HA 0.196 4.676 4.480 0.000 0.000 0.347 218 M C -0.304 175.904 176.300 -0.154 0.000 1.173 218 M CA 0.280 55.433 55.300 -0.245 0.000 1.147 218 M CB 0.490 32.648 32.600 -0.736 0.000 1.547 218 M HN 0.569 nan 8.290 nan 0.000 0.455 219 H N 2.747 121.717 119.070 -0.168 0.000 2.744 219 H HA 0.427 4.984 4.556 0.000 0.000 0.339 219 H C -1.827 173.459 175.328 -0.070 0.000 1.004 219 H CA -0.535 55.349 56.048 -0.273 0.000 1.257 219 H CB 1.620 31.215 29.762 -0.280 0.000 1.552 219 H HN 0.763 nan 8.280 nan 0.000 0.522 220 Q N 5.114 124.717 119.800 -0.328 0.000 2.377 220 Q HA 0.322 4.662 4.340 0.000 0.000 0.279 220 Q C -1.627 174.167 176.000 -0.343 0.000 1.049 220 Q CA -1.234 54.354 55.803 -0.359 0.000 0.825 220 Q CB 2.456 31.068 28.738 -0.210 0.000 1.401 220 Q HN 0.686 nan 8.270 nan 0.000 0.404 221 M N 2.030 121.442 119.600 -0.315 0.000 2.125 221 M HA 0.708 5.188 4.480 0.000 0.000 0.321 221 M C -1.294 174.990 176.300 -0.028 0.000 0.983 221 M CA 0.148 55.348 55.300 -0.167 0.000 0.934 221 M CB 1.772 34.199 32.600 -0.289 0.000 1.542 221 M HN 0.589 nan 8.290 nan 0.000 0.424 222 E N 1.742 121.975 120.200 0.054 0.000 2.425 222 E HA 0.417 4.767 4.350 0.000 0.000 0.272 222 E C -1.658 174.631 176.600 -0.519 0.000 1.061 222 E CA -0.496 55.792 56.400 -0.187 0.000 0.877 222 E CB 1.394 30.847 29.700 -0.413 0.000 1.590 222 E HN 0.761 nan 8.360 nan 0.000 0.462 223 Q N 1.272 120.469 119.800 -1.005 0.000 2.314 223 Q HA 0.333 4.673 4.340 0.000 0.000 0.257 223 Q C -1.000 174.466 176.000 -0.890 0.000 0.975 223 Q CA -0.022 55.194 55.803 -0.979 0.000 0.933 223 Q CB 0.651 28.734 28.738 -1.091 0.000 1.195 223 Q HN 0.366 nan 8.270 nan 0.000 0.426 224 Y N 0.660 120.800 120.300 -0.267 0.000 2.499 224 Y HA 0.284 4.834 4.550 0.000 0.000 0.347 224 Y C -0.677 175.195 175.900 -0.046 0.000 0.987 224 Y CA -1.073 56.955 58.100 -0.120 0.000 1.044 224 Y CB 1.280 39.694 38.460 -0.078 0.000 1.245 224 Y HN 0.468 nan 8.280 nan 0.000 0.461 225 Y N 4.232 124.619 120.300 0.144 0.000 2.377 225 Y HA 0.214 4.764 4.550 0.000 0.000 0.330 225 Y C 0.686 176.666 175.900 0.134 0.000 1.108 225 Y CA 0.456 58.596 58.100 0.067 0.000 1.308 225 Y CB 0.241 38.721 38.460 0.034 0.000 1.216 225 Y HN 0.564 nan 8.280 nan 0.000 0.518 226 H N 2.020 121.167 119.070 0.128 0.000 2.960 226 H HA 0.743 5.299 4.556 0.000 0.000 0.323 226 H C -2.285 173.045 175.328 0.002 0.000 1.326 226 H CA -1.326 54.745 56.048 0.038 0.000 1.124 226 H CB 1.655 31.418 29.762 0.002 0.000 1.853 226 H HN 0.592 nan 8.280 nan 0.000 0.536 227 L N 0.707 121.949 121.223 0.032 0.000 2.545 227 L HA 0.434 4.775 4.340 0.000 0.000 0.258 227 L C -1.697 175.157 176.870 -0.025 0.000 0.942 227 L CA -0.581 54.232 54.840 -0.045 0.000 0.855 227 L CB 2.249 44.231 42.059 -0.128 0.000 1.374 227 L HN 0.531 nan 8.230 nan 0.000 0.411 228 V N 3.597 123.519 119.914 0.013 0.000 2.318 228 V HA 0.344 4.464 4.120 0.000 0.000 0.271 228 V C -0.421 175.675 176.094 0.004 0.000 1.030 228 V CA -0.522 61.781 62.300 0.005 0.000 0.844 228 V CB 0.964 32.809 31.823 0.038 0.000 1.015 228 V HN 0.697 nan 8.190 nan 0.000 0.460 229 D N 5.400 125.794 120.400 -0.009 0.000 2.336 229 D HA 0.171 4.811 4.640 0.000 0.000 0.249 229 D C 0.876 177.221 176.300 0.075 0.000 1.213 229 D CA -0.347 53.693 54.000 0.067 0.000 0.870 229 D CB 1.411 42.302 40.800 0.152 0.000 1.076 229 D HN 0.284 nan 8.370 nan 0.000 0.483 230 M N 2.856 122.499 119.600 0.073 0.000 2.288 230 M HA -0.060 4.420 4.480 0.000 0.000 0.266 230 M C 1.485 177.824 176.300 0.065 0.000 1.072 230 M CA 1.059 56.395 55.300 0.059 0.000 1.132 230 M CB -0.515 32.114 32.600 0.049 0.000 1.386 230 M HN 0.332 nan 8.290 nan 0.000 0.432 231 E N 0.522 120.771 120.200 0.082 0.000 2.076 231 E HA 0.026 4.376 4.350 0.000 0.000 0.190 231 E C 1.892 178.540 176.600 0.081 0.000 0.979 231 E CA 0.891 57.336 56.400 0.074 0.000 0.807 231 E CB -0.093 29.651 29.700 0.073 0.000 0.761 231 E HN 0.413 nan 8.360 nan 0.000 0.454 232 L N 0.299 121.593 121.223 0.119 0.000 2.607 232 L HA 0.201 4.542 4.340 0.000 0.000 0.228 232 L C -0.110 176.828 176.870 0.112 0.000 1.123 232 L CA -0.206 54.711 54.840 0.128 0.000 0.890 232 L CB -0.159 42.026 42.059 0.209 0.000 1.103 232 L HN 0.083 nan 8.230 nan 0.000 0.468 233 N N 1.099 119.853 118.700 0.089 0.000 2.756 233 N HA -0.157 4.584 4.740 0.000 0.000 0.248 233 N C -0.458 175.088 175.510 0.060 0.000 1.062 233 N CA 1.119 54.207 53.050 0.063 0.000 0.696 233 N CB -1.471 37.048 38.487 0.052 0.000 0.946 233 N HN 0.590 nan 8.380 nan 0.000 0.548 234 C N -3.350 115.984 119.300 0.056 0.000 3.241 234 C HA 0.755 5.216 4.460 0.000 0.000 0.312 234 C C 0.352 175.316 174.990 -0.043 0.000 1.350 234 C CA -0.696 58.336 59.018 0.024 0.000 1.415 234 C CB 1.869 29.643 27.740 0.058 0.000 1.770 234 C HN 0.272 nan 8.230 nan 0.000 0.466 235 T N 1.800 116.317 114.554 -0.062 0.000 2.794 235 T HA 0.624 4.974 4.350 0.000 0.000 0.280 235 T C -0.368 174.231 174.700 -0.168 0.000 0.987 235 T CA -0.239 61.802 62.100 -0.098 0.000 0.993 235 T CB 1.312 70.147 68.868 -0.055 0.000 0.939 235 T HN 0.727 nan 8.240 nan 0.000 0.449 236 V N 4.663 124.418 119.914 -0.264 0.000 2.417 236 V HA 0.590 4.710 4.120 0.000 0.000 0.291 236 V C -0.417 175.617 176.094 -0.100 0.000 1.024 236 V CA -0.844 61.261 62.300 -0.325 0.000 0.861 236 V CB 1.500 32.850 31.823 -0.789 0.000 0.985 236 V HN 0.715 nan 8.190 nan 0.000 0.436 237 L N 4.229 125.452 121.223 0.000 0.000 2.362 237 L HA 0.603 4.943 4.340 0.000 0.000 0.275 237 L C -0.406 176.563 176.870 0.165 0.000 0.998 237 L CA -0.025 54.858 54.840 0.073 0.000 0.820 237 L CB 1.834 43.874 42.059 -0.032 0.000 1.270 237 L HN 0.785 nan 8.230 nan 0.000 0.415 238 Q N 5.442 125.360 119.800 0.196 0.000 2.307 238 Q HA 0.521 4.861 4.340 0.000 0.000 0.262 238 Q C -1.643 174.515 176.000 0.263 0.000 0.961 238 Q CA -0.592 55.350 55.803 0.232 0.000 0.882 238 Q CB 1.514 30.375 28.738 0.205 0.000 1.264 238 Q HN 0.771 nan 8.270 nan 0.000 0.446 239 M N 3.560 123.307 119.600 0.246 0.000 2.181 239 M HA 0.330 4.810 4.480 0.000 0.000 0.323 239 M C -1.190 175.233 176.300 0.204 0.000 1.004 239 M CA -0.730 54.675 55.300 0.175 0.000 0.941 239 M CB 1.715 34.264 32.600 -0.085 0.000 1.579 239 M HN 0.536 nan 8.290 nan 0.000 0.427 240 D N 2.507 123.026 120.400 0.198 0.000 2.304 240 D HA 0.222 4.863 4.640 0.000 0.000 0.250 240 D C -0.731 175.734 176.300 0.275 0.000 1.107 240 D CA 0.301 54.441 54.000 0.233 0.000 0.885 240 D CB 1.027 41.932 40.800 0.175 0.000 1.192 240 D HN 0.356 nan 8.370 nan 0.000 0.436 241 Y N 0.231 120.767 120.300 0.394 0.000 2.289 241 Y HA -0.032 4.518 4.550 0.000 0.000 0.332 241 Y C 2.185 178.193 175.900 0.180 0.000 1.324 241 Y CA -0.254 58.017 58.100 0.286 0.000 1.478 241 Y CB 0.672 39.242 38.460 0.182 0.000 1.378 241 Y HN 0.330 nan 8.280 nan 0.000 0.558 242 S N -0.341 115.533 115.700 0.289 0.000 2.414 242 S HA -0.007 4.464 4.470 0.000 0.000 0.227 242 S C 0.396 175.081 174.600 0.141 0.000 1.022 242 S CA 0.664 58.965 58.200 0.168 0.000 0.958 242 S CB -0.010 63.260 63.200 0.116 0.000 0.797 242 S HN 0.482 nan 8.310 nan 0.000 0.493 243 K N 1.308 121.800 120.400 0.153 0.000 2.545 243 K HA 0.405 4.725 4.320 0.000 0.000 0.252 243 K C -0.216 176.466 176.600 0.138 0.000 0.948 243 K CA -0.314 56.044 56.287 0.117 0.000 0.827 243 K CB 0.397 32.945 32.500 0.081 0.000 1.128 243 K HN 0.080 nan 8.250 nan 0.000 0.429 244 N N 1.135 119.910 118.700 0.125 0.000 2.778 244 N HA -0.239 4.502 4.740 0.000 0.000 0.249 244 N C -1.477 174.113 175.510 0.134 0.000 1.069 244 N CA 1.377 54.492 53.050 0.108 0.000 0.831 244 N CB -0.344 38.194 38.487 0.086 0.000 1.142 244 N HN 0.579 nan 8.380 nan 0.000 0.573 245 A N -0.106 122.843 122.820 0.215 0.000 2.549 245 A HA 0.757 5.077 4.320 0.000 0.000 0.297 245 A C -0.627 177.245 177.584 0.479 0.000 1.061 245 A CA -0.682 51.522 52.037 0.280 0.000 0.690 245 A CB 1.518 20.671 19.000 0.254 0.000 1.287 245 A HN 0.357 nan 8.150 nan 0.000 0.402 246 L N -1.168 120.329 121.223 0.457 0.000 2.415 246 L HA 1.038 5.378 4.340 0.000 0.000 0.256 246 L C -0.280 176.878 176.870 0.479 0.000 1.010 246 L CA -0.764 54.365 54.840 0.481 0.000 0.826 246 L CB 1.865 44.087 42.059 0.271 0.000 1.405 246 L HN 1.176 nan 8.230 nan 0.000 0.410 247 A N 2.335 125.424 122.820 0.448 0.000 2.312 247 A HA 0.845 5.165 4.320 0.000 0.000 0.326 247 A C -0.837 176.855 177.584 0.180 0.000 1.172 247 A CA -0.514 51.715 52.037 0.320 0.000 0.821 247 A CB 0.988 20.219 19.000 0.384 0.000 1.166 247 A HN 0.773 nan 8.150 nan 0.000 0.493 248 L N 2.303 123.562 121.223 0.061 0.000 2.319 248 L HA 0.436 4.776 4.340 0.000 0.000 0.281 248 L C -1.482 175.372 176.870 -0.028 0.000 1.005 248 L CA -0.234 54.662 54.840 0.093 0.000 0.828 248 L CB 1.205 43.367 42.059 0.172 0.000 1.227 248 L HN 0.704 nan 8.230 nan 0.000 0.415 249 F N 3.421 123.420 119.950 0.081 0.000 2.391 249 F HA 0.336 4.863 4.527 0.000 0.000 0.359 249 F C 0.232 176.036 175.800 0.006 0.000 1.122 249 F CA -0.593 57.425 58.000 0.029 0.000 1.120 249 F CB 1.509 40.411 39.000 -0.163 0.000 1.142 249 F HN 0.014 nan 8.300 nan 0.000 0.483 250 V N 5.877 125.937 119.914 0.244 0.000 2.311 250 V HA 0.273 4.393 4.120 0.000 0.000 0.275 250 V C -0.537 175.679 176.094 0.203 0.000 1.022 250 V CA -0.613 61.776 62.300 0.149 0.000 0.830 250 V CB 1.334 33.272 31.823 0.191 0.000 1.012 250 V HN 0.491 nan 8.190 nan 0.000 0.452 251 L N 9.562 130.847 121.223 0.102 0.000 2.283 251 L HA 0.627 4.968 4.340 0.000 0.000 0.281 251 L C -2.425 174.485 176.870 0.066 0.000 1.033 251 L CA -1.561 53.341 54.840 0.104 0.000 0.848 251 L CB 1.523 43.597 42.059 0.025 0.000 1.226 251 L HN 0.374 nan 8.230 nan 0.000 0.429 252 P HA 0.212 nan 4.420 nan 0.000 0.278 252 P C -0.919 176.406 177.300 0.042 0.000 1.238 252 P CA -0.500 62.643 63.100 0.072 0.000 0.794 252 P CB 0.634 32.390 31.700 0.093 0.000 0.955 253 K N 1.502 121.921 120.400 0.031 0.000 2.344 253 K HA 0.016 4.336 4.320 0.000 0.000 0.260 253 K C 0.900 177.509 176.600 0.015 0.000 0.988 253 K CA -0.135 56.161 56.287 0.015 0.000 0.909 253 K CB 0.221 32.731 32.500 0.016 0.000 0.968 253 K HN 0.550 nan 8.250 nan 0.000 0.505 254 E N 0.921 121.121 120.200 0.001 0.000 2.415 254 E HA -0.036 4.314 4.350 0.000 0.000 0.263 254 E C 0.692 177.297 176.600 0.010 0.000 0.995 254 E CA 0.674 57.073 56.400 -0.001 0.000 0.915 254 E CB 0.374 30.066 29.700 -0.014 0.000 0.951 254 E HN 0.816 nan 8.360 nan 0.000 0.449 255 G N 3.359 112.168 108.800 0.014 0.000 2.184 255 G HA2 -0.298 3.662 3.960 0.000 0.000 0.264 255 G HA3 -0.298 3.662 3.960 0.000 0.000 0.264 255 G C 0.708 175.627 174.900 0.031 0.000 0.975 255 G CA 0.450 45.562 45.100 0.021 0.000 0.642 255 G HN 0.495 nan 8.290 nan 0.000 0.536 256 Q N -0.927 118.896 119.800 0.038 0.000 2.282 256 Q HA 0.331 4.671 4.340 0.000 0.000 0.206 256 Q C 2.213 178.253 176.000 0.066 0.000 0.878 256 Q CA 0.674 56.506 55.803 0.049 0.000 0.944 256 Q CB 0.114 28.881 28.738 0.049 0.000 1.100 256 Q HN 0.624 nan 8.270 nan 0.000 0.509 257 M N 2.090 121.732 119.600 0.070 0.000 2.073 257 M HA -0.252 4.228 4.480 0.000 0.000 0.258 257 M C 1.708 178.072 176.300 0.106 0.000 1.070 257 M CA 2.199 57.556 55.300 0.095 0.000 1.103 257 M CB -0.241 32.415 32.600 0.093 0.000 1.321 257 M HN 0.267 nan 8.290 nan 0.000 0.405 258 E N -1.107 119.146 120.200 0.089 0.000 2.107 258 E HA -0.122 4.229 4.350 0.000 0.000 0.191 258 E C 1.798 178.447 176.600 0.081 0.000 0.982 258 E CA 1.527 57.982 56.400 0.091 0.000 0.809 258 E CB -0.805 28.938 29.700 0.071 0.000 0.756 258 E HN 0.691 nan 8.360 nan 0.000 0.459 259 S N 0.963 116.702 115.700 0.066 0.000 2.402 259 S HA -0.081 4.390 4.470 0.000 0.000 0.229 259 S C 2.146 176.781 174.600 0.058 0.000 1.021 259 S CA 0.812 59.045 58.200 0.055 0.000 0.974 259 S CB -0.401 62.827 63.200 0.047 0.000 0.800 259 S HN 0.164 nan 8.310 nan 0.000 0.484 260 V N 2.171 122.131 119.914 0.077 0.000 2.427 260 V HA -0.117 4.004 4.120 0.000 0.000 0.248 260 V C 2.694 178.824 176.094 0.059 0.000 1.051 260 V CA 1.990 64.341 62.300 0.085 0.000 1.048 260 V CB -0.791 31.104 31.823 0.121 0.000 0.666 260 V HN 0.550 nan 8.190 nan 0.000 0.456 261 E N 0.304 120.563 120.200 0.098 0.000 2.110 261 E HA -0.186 4.164 4.350 0.000 0.000 0.193 261 E C 2.327 178.978 176.600 0.084 0.000 0.988 261 E CA 1.273 57.757 56.400 0.140 0.000 0.804 261 E CB -0.303 29.551 29.700 0.258 0.000 0.745 261 E HN 0.610 nan 8.360 nan 0.000 0.458 262 A N 1.383 124.238 122.820 0.059 0.000 1.902 262 A HA -0.087 4.233 4.320 0.000 0.000 0.217 262 A C 2.370 179.940 177.584 -0.023 0.000 1.181 262 A CA 1.576 53.630 52.037 0.029 0.000 0.623 262 A CB -0.540 18.477 19.000 0.029 0.000 0.818 262 A HN 0.291 nan 8.150 nan 0.000 0.443 263 A N -0.844 121.950 122.820 -0.044 0.000 1.969 263 A HA 0.103 4.423 4.320 0.000 0.000 0.218 263 A C 1.214 178.661 177.584 -0.228 0.000 1.169 263 A CA 0.750 52.729 52.037 -0.097 0.000 0.635 263 A CB -0.449 18.520 19.000 -0.053 0.000 0.810 263 A HN 0.423 nan 8.150 nan 0.000 0.445 264 M N 1.581 120.985 119.600 -0.328 0.000 2.390 264 M HA 0.178 4.658 4.480 0.000 0.000 0.353 264 M C 0.321 176.198 176.300 -0.706 0.000 1.623 264 M CA 0.549 55.414 55.300 -0.724 0.000 1.065 264 M CB -0.757 31.250 32.600 -0.988 0.000 2.025 264 M HN 0.555 nan 8.290 nan 0.000 0.461 265 S N 1.034 116.371 115.700 -0.604 0.000 2.672 265 S HA 0.365 4.835 4.470 0.000 0.000 0.271 265 S C 0.544 175.151 174.600 0.012 0.000 1.171 265 S CA -0.347 57.787 58.200 -0.111 0.000 0.817 265 S CB 1.380 64.537 63.200 -0.072 0.000 1.150 265 S HN 0.533 nan 8.310 nan 0.000 0.478 266 S N 0.304 116.085 115.700 0.134 0.000 2.382 266 S HA -0.118 4.352 4.470 0.000 0.000 0.228 266 S C 1.679 176.260 174.600 -0.032 0.000 1.027 266 S CA 1.849 60.096 58.200 0.078 0.000 0.991 266 S CB -0.695 62.538 63.200 0.055 0.000 0.823 266 S HN 0.680 nan 8.310 nan 0.000 0.469 267 K N -0.149 120.212 120.400 -0.065 0.000 2.147 267 K HA -0.077 4.243 4.320 0.000 0.000 0.205 267 K C 1.871 178.359 176.600 -0.188 0.000 1.049 267 K CA 1.607 57.835 56.287 -0.097 0.000 0.936 267 K CB -0.332 32.121 32.500 -0.077 0.000 0.722 267 K HN 0.344 nan 8.250 nan 0.000 0.446 268 T N 1.771 116.140 114.554 -0.308 0.000 2.812 268 T HA -0.042 4.308 4.350 0.000 0.000 0.264 268 T C 1.787 176.042 174.700 -0.740 0.000 1.042 268 T CA 1.001 62.745 62.100 -0.593 0.000 1.140 268 T CB -0.052 68.345 68.868 -0.784 0.000 0.870 268 T HN 0.149 nan 8.240 nan 0.000 0.445 269 L N 0.578 121.525 121.223 -0.460 0.000 2.046 269 L HA -0.126 4.214 4.340 0.000 0.000 0.208 269 L C 2.611 179.434 176.870 -0.078 0.000 1.077 269 L CA 1.476 56.188 54.840 -0.214 0.000 0.747 269 L CB -0.530 41.521 42.059 -0.013 0.000 0.896 269 L HN 0.241 nan 8.230 nan 0.000 0.432 270 K N 0.256 120.607 120.400 -0.081 0.000 2.063 270 K HA -0.248 4.073 4.320 0.000 0.000 0.208 270 K C 2.147 178.740 176.600 -0.011 0.000 1.048 270 K CA 1.513 57.782 56.287 -0.031 0.000 0.928 270 K CB -0.181 32.299 32.500 -0.033 0.000 0.713 270 K HN 0.192 nan 8.250 nan 0.000 0.442 271 K N 0.259 120.622 120.400 -0.062 0.000 2.009 271 K HA -0.196 4.124 4.320 0.000 0.000 0.210 271 K C 1.867 178.564 176.600 0.162 0.000 1.049 271 K CA 1.723 58.010 56.287 0.001 0.000 0.929 271 K CB -0.098 32.351 32.500 -0.084 0.000 0.714 271 K HN 0.180 nan 8.250 nan 0.000 0.440 272 W N 1.428 122.735 121.300 0.012 0.000 2.358 272 W HA -0.115 4.545 4.660 0.000 0.000 0.303 272 W C 2.035 178.560 176.519 0.010 0.000 1.208 272 W CA 1.124 58.480 57.345 0.018 0.000 1.274 272 W CB -1.554 27.921 29.460 0.025 0.000 1.138 272 W HN 0.356 nan 8.180 nan 0.000 0.515 273 N N 0.610 119.439 118.700 0.214 0.000 2.149 273 N HA -0.218 4.522 4.740 0.000 0.000 0.188 273 N C 1.914 177.465 175.510 0.068 0.000 1.019 273 N CA 1.840 54.948 53.050 0.097 0.000 0.857 273 N CB -0.354 38.164 38.487 0.053 0.000 0.997 273 N HN 0.073 nan 8.380 nan 0.000 0.426 274 R N -0.977 119.572 120.500 0.082 0.000 2.153 274 R HA 0.056 4.396 4.340 0.000 0.000 0.218 274 R C 0.855 177.202 176.300 0.077 0.000 1.072 274 R CA 0.790 56.929 56.100 0.064 0.000 0.990 274 R CB 0.062 30.396 30.300 0.056 0.000 0.889 274 R HN 0.214 nan 8.270 nan 0.000 0.452 275 L N 0.225 121.513 121.223 0.109 0.000 2.609 275 L HA 0.234 4.575 4.340 0.000 0.000 0.230 275 L C 0.094 177.009 176.870 0.074 0.000 1.087 275 L CA 0.327 55.224 54.840 0.096 0.000 0.874 275 L CB 0.170 42.304 42.059 0.124 0.000 1.114 275 L HN 0.035 nan 8.230 nan 0.000 0.488 276 L N 0.707 121.986 121.223 0.093 0.000 2.540 276 L HA 0.002 4.342 4.340 0.000 0.000 0.276 276 L C 0.197 177.164 176.870 0.162 0.000 1.212 276 L CA 0.677 55.579 54.840 0.103 0.000 0.893 276 L CB 0.058 42.199 42.059 0.137 0.000 1.138 276 L HN 0.245 nan 8.230 nan 0.000 0.491 277 Q N 3.392 123.190 119.800 -0.003 0.000 2.387 277 Q HA 0.418 4.759 4.340 0.000 0.000 0.273 277 Q C -0.861 174.915 176.000 -0.372 0.000 1.089 277 Q CA -0.984 54.745 55.803 -0.123 0.000 0.824 277 Q CB 3.033 31.660 28.738 -0.186 0.000 1.367 277 Q HN 0.387 nan 8.270 nan 0.000 0.443 278 K N 0.563 120.645 120.400 -0.530 0.000 2.156 278 K HA 0.703 5.024 4.320 0.000 0.000 0.271 278 K C -0.749 175.646 176.600 -0.342 0.000 0.995 278 K CA -0.221 55.660 56.287 -0.677 0.000 0.890 278 K CB 1.105 33.012 32.500 -0.987 0.000 1.073 278 K HN 0.815 nan 8.250 nan 0.000 0.454 279 G N 2.653 111.326 108.800 -0.211 0.000 2.576 279 G HA2 0.279 4.240 3.960 0.000 0.000 0.290 279 G HA3 0.279 4.240 3.960 0.000 0.000 0.290 279 G C -2.062 172.784 174.900 -0.091 0.000 1.442 279 G CA -1.023 44.033 45.100 -0.072 0.000 0.792 279 G HN 0.584 nan 8.290 nan 0.000 0.491 280 W N 0.651 121.984 121.300 0.055 0.000 2.419 280 W HA 0.489 5.150 4.660 0.000 0.000 0.312 280 W C 0.019 176.589 176.519 0.084 0.000 1.323 280 W CA -0.133 57.242 57.345 0.050 0.000 1.293 280 W CB 1.329 30.861 29.460 0.121 0.000 1.324 280 W HN 0.199 nan 8.180 nan 0.000 0.512 281 V N 4.044 124.093 119.914 0.224 0.000 2.588 281 V HA 0.117 4.237 4.120 0.000 0.000 0.304 281 V C -0.247 175.876 176.094 0.048 0.000 1.042 281 V CA -1.132 61.234 62.300 0.110 0.000 0.877 281 V CB 1.917 33.743 31.823 0.006 0.000 0.996 281 V HN 0.277 nan 8.190 nan 0.000 0.425 282 D N 3.748 124.168 120.400 0.034 0.000 2.367 282 D HA 0.223 4.863 4.640 0.000 0.000 0.255 282 D C -0.475 175.785 176.300 -0.068 0.000 1.300 282 D CA 0.074 54.066 54.000 -0.014 0.000 0.959 282 D CB 1.199 42.066 40.800 0.111 0.000 1.064 282 D HN 0.270 nan 8.370 nan 0.000 0.509 283 L N 4.046 125.140 121.223 -0.216 0.000 2.307 283 L HA 0.458 4.798 4.340 0.000 0.000 0.282 283 L C -1.292 175.326 176.870 -0.420 0.000 1.051 283 L CA -0.344 54.324 54.840 -0.287 0.000 0.804 283 L CB 0.818 42.592 42.059 -0.474 0.000 1.197 283 L HN 0.069 nan 8.230 nan 0.000 0.431 284 F N 4.957 124.822 119.950 -0.143 0.000 2.496 284 F HA 0.562 5.089 4.527 0.000 0.000 0.341 284 F C -0.516 175.129 175.800 -0.259 0.000 1.134 284 F CA -0.706 57.211 58.000 -0.139 0.000 0.968 284 F CB 1.845 40.775 39.000 -0.117 0.000 1.205 284 F HN 0.103 nan 8.300 nan 0.000 0.436 285 V N 4.771 124.563 119.914 -0.203 0.000 2.487 285 V HA 0.469 4.589 4.120 0.000 0.000 0.298 285 V C -2.232 173.744 176.094 -0.198 0.000 1.028 285 V CA -2.300 59.792 62.300 -0.348 0.000 0.860 285 V CB 1.932 33.394 31.823 -0.602 0.000 0.991 285 V HN 0.411 nan 8.190 nan 0.000 0.427 286 P HA 0.071 nan 4.420 nan 0.000 0.265 286 P C -0.767 176.638 177.300 0.176 0.000 1.193 286 P CA -0.130 63.007 63.100 0.061 0.000 0.765 286 P CB 0.843 32.554 31.700 0.019 0.000 0.823 287 K N 4.593 125.053 120.400 0.101 0.000 2.262 287 K HA 0.428 4.748 4.320 0.000 0.000 0.282 287 K C -0.775 175.948 176.600 0.205 0.000 1.066 287 K CA -0.462 55.869 56.287 0.074 0.000 0.901 287 K CB -0.035 32.474 32.500 0.015 0.000 1.089 287 K HN 0.528 nan 8.250 nan 0.000 0.476 288 F N -0.571 119.317 119.950 -0.104 0.000 2.744 288 F HA 0.412 4.939 4.527 0.000 0.000 0.311 288 F C -1.707 174.071 175.800 -0.036 0.000 1.144 288 F CA -0.992 56.978 58.000 -0.050 0.000 0.938 288 F CB 1.047 40.000 39.000 -0.079 0.000 1.292 288 F HN 0.183 nan 8.300 nan 0.000 0.444 289 S N 2.527 118.257 115.700 0.049 0.000 2.503 289 S HA 0.763 5.233 4.470 0.000 0.000 0.301 289 S C -1.136 173.473 174.600 0.015 0.000 1.087 289 S CA -0.656 57.521 58.200 -0.039 0.000 1.042 289 S CB 1.760 65.020 63.200 0.099 0.000 1.043 289 S HN 0.822 nan 8.310 nan 0.000 0.489 290 I N 2.619 123.091 120.570 -0.163 0.000 2.545 290 I HA 0.663 4.834 4.170 0.000 0.000 0.292 290 I C -0.848 175.160 176.117 -0.183 0.000 1.040 290 I CA -0.115 61.076 61.300 -0.182 0.000 1.068 290 I CB 1.624 39.403 38.000 -0.369 0.000 1.251 290 I HN 0.800 nan 8.210 nan 0.000 0.424 291 S N 5.785 121.469 115.700 -0.028 0.000 2.541 291 S HA 0.961 5.432 4.470 0.000 0.000 0.271 291 S C -1.149 173.509 174.600 0.096 0.000 1.133 291 S CA -0.497 57.762 58.200 0.098 0.000 0.876 291 S CB 1.978 65.218 63.200 0.067 0.000 1.105 291 S HN 1.029 nan 8.310 nan 0.000 0.470 292 A N 1.111 124.010 122.820 0.133 0.000 2.549 292 A HA 0.875 5.195 4.320 0.000 0.000 0.297 292 A C -0.457 176.996 177.584 -0.218 0.000 1.061 292 A CA -0.544 51.450 52.037 -0.072 0.000 0.690 292 A CB 1.684 20.672 19.000 -0.020 0.000 1.287 292 A HN 1.360 nan 8.150 nan 0.000 0.402 293 T N 0.567 114.848 114.554 -0.454 0.000 2.841 293 T HA 0.732 5.082 4.350 0.000 0.000 0.283 293 T C -1.629 172.706 174.700 -0.608 0.000 1.000 293 T CA -0.224 61.656 62.100 -0.367 0.000 0.977 293 T CB 0.451 69.221 68.868 -0.162 0.000 0.979 293 T HN 0.469 nan 8.240 nan 0.000 0.446 294 Y N 2.111 122.397 120.300 -0.024 0.000 2.442 294 Y HA 0.438 4.988 4.550 0.000 0.000 0.344 294 Y C -0.159 175.791 175.900 0.084 0.000 0.976 294 Y CA -1.182 56.923 58.100 0.008 0.000 1.040 294 Y CB 1.850 40.304 38.460 -0.009 0.000 1.228 294 Y HN 0.689 nan 8.280 nan 0.000 0.451 295 D N 2.612 123.150 120.400 0.229 0.000 2.317 295 D HA 0.270 4.911 4.640 0.000 0.000 0.234 295 D C 0.246 176.689 176.300 0.239 0.000 1.112 295 D CA -0.089 54.031 54.000 0.199 0.000 0.840 295 D CB 0.929 41.799 40.800 0.115 0.000 1.078 295 D HN 0.613 nan 8.370 nan 0.000 0.486 296 L N 3.405 124.779 121.223 0.253 0.000 2.478 296 L HA 0.142 4.483 4.340 0.000 0.000 0.223 296 L C 2.377 179.340 176.870 0.155 0.000 1.140 296 L CA 0.503 55.484 54.840 0.234 0.000 0.842 296 L CB -0.194 42.009 42.059 0.239 0.000 0.953 296 L HN 0.669 nan 8.230 nan 0.000 0.452 297 G N 0.401 109.263 108.800 0.103 0.000 2.491 297 G HA2 -0.353 3.607 3.960 0.000 0.000 0.218 297 G HA3 -0.353 3.607 3.960 0.000 0.000 0.218 297 G C 1.779 176.576 174.900 -0.172 0.000 1.180 297 G CA 0.955 45.971 45.100 -0.140 0.000 0.774 297 G HN 0.464 nan 8.290 nan 0.000 0.562 298 A N 0.397 123.168 122.820 -0.083 0.000 1.940 298 A HA -0.065 4.255 4.320 0.000 0.000 0.219 298 A C 2.641 180.193 177.584 -0.052 0.000 1.176 298 A CA 3.036 55.033 52.037 -0.067 0.000 0.631 298 A CB -0.959 18.033 19.000 -0.013 0.000 0.814 298 A HN 0.606 nan 8.150 nan 0.000 0.446 299 T N -2.444 112.088 114.554 -0.037 0.000 2.976 299 T HA 0.139 4.489 4.350 0.000 0.000 0.257 299 T C 1.836 176.488 174.700 -0.079 0.000 1.051 299 T CA 0.927 62.967 62.100 -0.099 0.000 1.141 299 T CB -0.444 68.281 68.868 -0.239 0.000 0.881 299 T HN 0.251 nan 8.240 nan 0.000 0.461 300 L N 0.326 121.543 121.223 -0.011 0.000 2.093 300 L HA 0.116 4.456 4.340 0.000 0.000 0.208 300 L C 2.669 179.585 176.870 0.076 0.000 1.085 300 L CA 0.903 55.786 54.840 0.071 0.000 0.755 300 L CB -0.583 41.586 42.059 0.182 0.000 0.904 300 L HN 0.234 nan 8.230 nan 0.000 0.435 301 L N -0.089 121.154 121.223 0.033 0.000 2.046 301 L HA -0.254 4.086 4.340 0.000 0.000 0.208 301 L C 2.625 179.491 176.870 -0.008 0.000 1.077 301 L CA 1.620 56.463 54.840 0.006 0.000 0.747 301 L CB -0.137 41.865 42.059 -0.095 0.000 0.896 301 L HN 0.163 nan 8.230 nan 0.000 0.432 302 K N -0.976 119.407 120.400 -0.028 0.000 2.148 302 K HA -0.103 4.217 4.320 0.000 0.000 0.204 302 K C 1.892 178.478 176.600 -0.022 0.000 1.050 302 K CA 1.260 57.528 56.287 -0.033 0.000 0.942 302 K CB -0.040 32.429 32.500 -0.050 0.000 0.724 302 K HN 0.342 nan 8.250 nan 0.000 0.446 303 M N -0.894 118.697 119.600 -0.014 0.000 2.618 303 M HA 0.026 4.506 4.480 0.000 0.000 0.240 303 M C 0.888 177.212 176.300 0.039 0.000 1.123 303 M CA 0.688 55.991 55.300 0.005 0.000 1.060 303 M CB 0.878 33.480 32.600 0.004 0.000 1.535 303 M HN 0.488 nan 8.290 nan 0.000 0.507 304 G N 0.632 109.454 108.800 0.037 0.000 2.797 304 G HA2 -0.139 3.822 3.960 0.000 0.000 0.195 304 G HA3 -0.139 3.822 3.960 0.000 0.000 0.195 304 G C 0.189 175.119 174.900 0.049 0.000 1.026 304 G CA -0.733 44.391 45.100 0.040 0.000 0.759 304 G HN 0.319 nan 8.290 nan 0.000 0.475 305 I N 3.122 123.740 120.570 0.081 0.000 2.577 305 I HA 0.116 4.287 4.170 0.000 0.000 0.299 305 I C 1.590 177.788 176.117 0.136 0.000 1.157 305 I CA 0.181 61.543 61.300 0.104 0.000 1.418 305 I CB 0.705 38.787 38.000 0.137 0.000 1.467 305 I HN 0.220 nan 8.210 nan 0.000 0.624 306 Q N 2.901 122.735 119.800 0.056 0.000 2.389 306 Q HA -0.013 4.327 4.340 0.000 0.000 0.198 306 Q C 1.757 177.765 176.000 0.012 0.000 0.967 306 Q CA 1.058 56.859 55.803 -0.003 0.000 0.863 306 Q CB -0.167 28.463 28.738 -0.181 0.000 0.987 306 Q HN 0.691 nan 8.270 nan 0.000 0.557 307 H N 1.275 120.363 119.070 0.030 0.000 2.489 307 H HA -0.046 4.510 4.556 0.000 0.000 0.295 307 H C 1.904 177.223 175.328 -0.015 0.000 1.082 307 H CA 1.112 57.156 56.048 -0.006 0.000 1.295 307 H CB 0.141 29.865 29.762 -0.062 0.000 1.380 307 H HN 0.353 nan 8.280 nan 0.000 0.548 308 A N 0.090 122.954 122.820 0.074 0.000 1.898 308 A HA -0.178 4.143 4.320 0.000 0.000 0.216 308 A C 1.559 179.165 177.584 0.037 0.000 1.181 308 A CA 1.225 53.279 52.037 0.028 0.000 0.620 308 A CB -0.638 18.320 19.000 -0.069 0.000 0.819 308 A HN 0.487 nan 8.150 nan 0.000 0.442 309 Y N 0.069 120.439 120.300 0.118 0.000 2.544 309 Y HA 0.124 4.674 4.550 0.000 0.000 0.286 309 Y C 1.727 177.666 175.900 0.066 0.000 1.141 309 Y CA 0.538 58.688 58.100 0.082 0.000 1.299 309 Y CB 0.144 38.631 38.460 0.047 0.000 1.030 309 Y HN 0.289 nan 8.280 nan 0.000 0.543 310 S N 0.911 116.728 115.700 0.196 0.000 2.603 310 S HA -0.024 4.447 4.470 0.000 0.000 0.268 310 S C 1.470 176.143 174.600 0.121 0.000 1.317 310 S CA -0.554 57.726 58.200 0.132 0.000 1.012 310 S CB 0.729 63.991 63.200 0.103 0.000 0.926 310 S HN 0.492 nan 8.310 nan 0.000 0.539 311 E N 2.628 122.884 120.200 0.092 0.000 2.401 311 E HA -0.190 4.161 4.350 0.000 0.000 0.199 311 E C 0.301 176.948 176.600 0.078 0.000 1.023 311 E CA 1.240 57.686 56.400 0.078 0.000 0.859 311 E CB -0.808 28.927 29.700 0.057 0.000 0.780 311 E HN 0.794 nan 8.360 nan 0.000 0.523 312 N N 1.126 119.884 118.700 0.098 0.000 2.295 312 N HA 0.253 4.993 4.740 0.000 0.000 0.221 312 N C -0.160 175.393 175.510 0.071 0.000 1.129 312 N CA 0.189 53.294 53.050 0.090 0.000 0.836 312 N CB 0.872 39.439 38.487 0.134 0.000 1.040 312 N HN 0.197 nan 8.380 nan 0.000 0.494 313 A N 0.806 123.676 122.820 0.084 0.000 2.511 313 A HA 0.070 4.390 4.320 0.000 0.000 0.242 313 A C -0.118 177.448 177.584 -0.031 0.000 1.069 313 A CA 0.159 52.224 52.037 0.048 0.000 0.763 313 A CB 0.269 19.385 19.000 0.194 0.000 1.001 313 A HN 0.156 nan 8.150 nan 0.000 0.498 314 D N 2.048 122.319 120.400 -0.215 0.000 2.472 314 D HA 0.415 5.055 4.640 0.000 0.000 0.234 314 D C -1.187 174.868 176.300 -0.408 0.000 1.088 314 D CA -0.078 53.782 54.000 -0.233 0.000 0.882 314 D CB 0.061 40.717 40.800 -0.240 0.000 1.037 314 D HN 0.345 nan 8.370 nan 0.000 0.520 315 F N 1.681 121.560 119.950 -0.118 0.000 2.928 315 F HA 0.129 4.656 4.527 0.000 0.000 0.337 315 F C 1.918 177.615 175.800 -0.172 0.000 1.259 315 F CA -0.327 57.578 58.000 -0.158 0.000 1.267 315 F CB 0.684 39.580 39.000 -0.172 0.000 0.986 315 F HN 0.186 nan 8.300 nan 0.000 0.507 316 S N -0.010 115.666 115.700 -0.041 0.000 2.419 316 S HA -0.165 4.305 4.470 0.000 0.000 0.233 316 S C 2.409 176.964 174.600 -0.076 0.000 1.016 316 S CA 1.312 59.477 58.200 -0.059 0.000 0.974 316 S CB -0.338 62.818 63.200 -0.074 0.000 0.786 316 S HN 0.642 nan 8.310 nan 0.000 0.492 317 G N 0.539 109.280 108.800 -0.098 0.000 2.598 317 G HA2 0.021 3.982 3.960 0.000 0.000 0.215 317 G HA3 0.021 3.982 3.960 0.000 0.000 0.215 317 G C 1.217 176.047 174.900 -0.117 0.000 1.131 317 G CA 0.165 45.203 45.100 -0.102 0.000 0.785 317 G HN 0.452 nan 8.290 nan 0.000 0.539 318 L N -1.358 119.720 121.223 -0.241 0.000 2.362 318 L HA 0.356 4.697 4.340 0.000 0.000 0.204 318 L C 0.826 177.495 176.870 -0.335 0.000 1.060 318 L CA 0.803 55.284 54.840 -0.599 0.000 0.827 318 L CB 0.928 42.531 42.059 -0.760 0.000 1.027 318 L HN 0.164 nan 8.230 nan 0.000 0.474 319 T N -2.027 112.417 114.554 -0.183 0.000 2.916 319 T HA 0.181 4.531 4.350 0.000 0.000 0.305 319 T C 0.335 174.996 174.700 -0.065 0.000 1.119 319 T CA -0.601 61.431 62.100 -0.115 0.000 1.008 319 T CB 1.548 70.340 68.868 -0.127 0.000 1.129 319 T HN 0.012 nan 8.240 nan 0.000 0.480 320 E N 1.698 121.871 120.200 -0.045 0.000 2.076 320 E HA 0.030 4.380 4.350 0.000 0.000 0.190 320 E C 0.328 176.914 176.600 -0.023 0.000 0.979 320 E CA 1.077 57.460 56.400 -0.029 0.000 0.807 320 E CB -0.024 29.665 29.700 -0.018 0.000 0.761 320 E HN 0.836 nan 8.360 nan 0.000 0.454 321 D N 0.656 121.041 120.400 -0.025 0.000 2.411 321 D HA 0.131 4.772 4.640 0.000 0.000 0.251 321 D C 0.152 176.447 176.300 -0.009 0.000 1.201 321 D CA -0.547 53.447 54.000 -0.012 0.000 0.996 321 D CB 0.393 41.191 40.800 -0.003 0.000 1.101 321 D HN -0.240 nan 8.370 nan 0.000 0.504 322 N N -1.151 117.556 118.700 0.012 0.000 2.477 322 N HA 0.513 5.253 4.740 0.000 0.000 0.284 322 N C 0.947 176.483 175.510 0.043 0.000 1.182 322 N CA -0.218 52.846 53.050 0.022 0.000 0.949 322 N CB 1.427 39.929 38.487 0.024 0.000 1.204 322 N HN 0.858 nan 8.380 nan 0.000 0.526 323 G N -0.885 107.943 108.800 0.047 0.000 2.176 323 G HA2 -0.229 3.732 3.960 0.000 0.000 0.232 323 G HA3 -0.229 3.732 3.960 0.000 0.000 0.232 323 G C -0.295 174.641 174.900 0.061 0.000 0.986 323 G CA -0.115 45.025 45.100 0.068 0.000 0.643 323 G HN 0.485 nan 8.290 nan 0.000 0.522 324 L N 1.434 122.673 121.223 0.028 0.000 2.380 324 L HA 0.779 5.119 4.340 0.000 0.000 0.273 324 L C 0.337 177.225 176.870 0.030 0.000 1.138 324 L CA 0.143 54.972 54.840 -0.019 0.000 0.832 324 L CB 0.628 42.629 42.059 -0.097 0.000 1.124 324 L HN 0.563 nan 8.230 nan 0.000 0.454 325 K N 3.345 123.726 120.400 -0.031 0.000 2.615 325 K HA 0.515 4.835 4.320 0.000 0.000 0.291 325 K C -1.663 174.867 176.600 -0.116 0.000 1.017 325 K CA -1.086 55.216 56.287 0.025 0.000 0.882 325 K CB 0.801 33.367 32.500 0.109 0.000 1.522 325 K HN 0.390 nan 8.250 nan 0.000 0.412 326 L N 1.791 122.953 121.223 -0.101 0.000 2.313 326 L HA 0.294 4.634 4.340 0.000 0.000 0.282 326 L C 0.320 177.184 176.870 -0.011 0.000 1.092 326 L CA 0.621 55.348 54.840 -0.188 0.000 0.831 326 L CB 1.171 43.008 42.059 -0.372 0.000 1.159 326 L HN 0.846 nan 8.230 nan 0.000 0.442 327 S N 3.305 119.015 115.700 0.016 0.000 2.339 327 S HA 0.258 4.728 4.470 0.000 0.000 0.213 327 S C 0.250 174.974 174.600 0.207 0.000 1.033 327 S CA 0.401 58.652 58.200 0.085 0.000 0.950 327 S CB 0.045 63.205 63.200 -0.067 0.000 0.893 327 S HN 0.739 nan 8.310 nan 0.000 0.492 328 N N 0.293 119.080 118.700 0.146 0.000 2.225 328 N HA 0.585 5.326 4.740 0.000 0.000 0.298 328 N C -1.497 174.138 175.510 0.207 0.000 1.076 328 N CA -0.315 52.855 53.050 0.199 0.000 0.792 328 N CB 2.029 40.576 38.487 0.100 0.000 1.498 328 N HN 0.255 nan 8.380 nan 0.000 0.474 329 A N 0.830 123.811 122.820 0.267 0.000 2.267 329 A HA 0.782 5.103 4.320 0.000 0.000 0.315 329 A C -0.609 177.121 177.584 0.242 0.000 1.297 329 A CA -0.598 51.581 52.037 0.238 0.000 0.865 329 A CB 0.376 19.529 19.000 0.255 0.000 1.165 329 A HN 0.664 nan 8.150 nan 0.000 0.513 330 A N 2.551 125.516 122.820 0.242 0.000 2.355 330 A HA 0.785 5.105 4.320 0.000 0.000 0.317 330 A C -0.811 176.974 177.584 0.335 0.000 1.094 330 A CA -0.437 51.751 52.037 0.250 0.000 0.764 330 A CB 0.851 19.960 19.000 0.182 0.000 1.230 330 A HN 1.345 nan 8.150 nan 0.000 0.448 331 H N 0.841 120.053 119.070 0.236 0.000 2.974 331 H HA 0.698 5.254 4.556 0.000 0.000 0.366 331 H C -1.212 174.282 175.328 0.278 0.000 1.155 331 H CA -0.468 55.740 56.048 0.267 0.000 1.186 331 H CB 1.489 31.418 29.762 0.277 0.000 1.799 331 H HN 0.658 nan 8.280 nan 0.000 0.541 332 K N 3.708 123.891 120.400 -0.361 0.000 2.513 332 K HA 0.781 5.102 4.320 0.000 0.000 0.251 332 K C -1.845 174.621 176.600 -0.223 0.000 0.939 332 K CA -0.794 55.324 56.287 -0.281 0.000 0.793 332 K CB 1.648 34.125 32.500 -0.039 0.000 1.241 332 K HN 0.683 nan 8.250 nan 0.000 0.431 333 A N 3.150 125.949 122.820 -0.034 0.000 2.331 333 A HA 0.685 5.005 4.320 0.000 0.000 0.320 333 A C -1.245 176.602 177.584 0.439 0.000 1.138 333 A CA -0.652 51.561 52.037 0.293 0.000 0.790 333 A CB 1.421 20.615 19.000 0.324 0.000 1.206 333 A HN 0.377 nan 8.150 nan 0.000 0.470 334 V N 2.910 123.077 119.914 0.423 0.000 2.577 334 V HA 0.650 4.770 4.120 0.000 0.000 0.303 334 V C -0.987 175.236 176.094 0.216 0.000 1.042 334 V CA -0.463 62.012 62.300 0.291 0.000 0.872 334 V CB 1.365 33.289 31.823 0.169 0.000 0.998 334 V HN 0.872 nan 8.190 nan 0.000 0.423 335 L N 3.753 125.009 121.223 0.053 0.000 2.455 335 L HA 0.677 5.018 4.340 0.000 0.000 0.264 335 L C -0.981 175.785 176.870 -0.174 0.000 0.968 335 L CA -0.317 54.459 54.840 -0.106 0.000 0.827 335 L CB 2.077 43.992 42.059 -0.239 0.000 1.317 335 L HN 0.818 nan 8.230 nan 0.000 0.407 336 H N 4.829 123.780 119.070 -0.198 0.000 2.467 336 H HA 0.669 5.225 4.556 0.000 0.000 0.331 336 H C -1.062 174.131 175.328 -0.225 0.000 1.120 336 H CA -0.541 55.367 56.048 -0.234 0.000 1.270 336 H CB 1.085 30.767 29.762 -0.134 0.000 1.466 336 H HN 0.487 nan 8.280 nan 0.000 0.504 337 I N 5.412 125.422 120.570 -0.934 0.000 2.390 337 I HA 0.383 4.553 4.170 0.000 0.000 0.283 337 I C 0.744 176.442 176.117 -0.698 0.000 1.016 337 I CA -0.031 60.945 61.300 -0.541 0.000 1.151 337 I CB 0.603 38.341 38.000 -0.438 0.000 1.293 337 I HN 0.757 nan 8.210 nan 0.000 0.458 338 G N 4.346 112.985 108.800 -0.269 0.000 3.105 338 G HA2 0.492 4.452 3.960 0.000 0.000 0.277 338 G HA3 0.492 4.452 3.960 0.000 0.000 0.277 338 G C 0.254 175.346 174.900 0.320 0.000 1.375 338 G CA -0.159 44.952 45.100 0.018 0.000 0.962 338 G HN 0.439 nan 8.290 nan 0.000 0.541 339 E N -0.275 120.089 120.200 0.274 0.000 2.072 339 E HA -0.029 4.321 4.350 0.000 0.000 0.191 339 E C 2.262 179.176 176.600 0.524 0.000 0.985 339 E CA 1.175 57.804 56.400 0.382 0.000 0.801 339 E CB 0.103 29.951 29.700 0.246 0.000 0.750 339 E HN 0.455 nan 8.360 nan 0.000 0.452 340 K N -1.018 119.574 120.400 0.319 0.000 2.116 340 K HA 0.115 4.435 4.320 0.000 0.000 0.203 340 K C 1.089 177.725 176.600 0.059 0.000 1.052 340 K CA 0.859 57.268 56.287 0.204 0.000 0.952 340 K CB 0.425 32.984 32.500 0.098 0.000 0.729 340 K HN 0.220 nan 8.250 nan 0.000 0.446 341 G N 0.091 108.796 108.800 -0.158 0.000 2.272 341 G HA2 -0.192 3.768 3.960 0.000 0.000 0.068 341 G HA3 -0.192 3.768 3.960 0.000 0.000 0.068 341 G C -0.228 174.428 174.900 -0.407 0.000 1.073 341 G CA -0.069 44.533 45.100 -0.830 0.000 1.154 341 G HN 0.091 nan 8.290 nan 0.000 0.429 342 T N -0.636 113.736 114.554 -0.303 0.000 3.260 342 T HA 0.627 4.977 4.350 0.000 0.000 0.254 342 T C -0.042 174.615 174.700 -0.071 0.000 0.951 342 T CA 0.580 62.572 62.100 -0.180 0.000 0.918 342 T CB 0.886 69.530 68.868 -0.372 0.000 1.098 342 T HN 0.478 nan 8.240 nan 0.000 0.563 343 E N 0.757 120.969 120.200 0.019 0.000 2.416 343 E HA 0.708 5.058 4.350 0.000 0.000 0.273 343 E C -0.677 175.915 176.600 -0.013 0.000 0.935 343 E CA -0.772 55.621 56.400 -0.012 0.000 0.784 343 E CB 1.876 31.549 29.700 -0.045 0.000 1.301 343 E HN 0.366 nan 8.360 nan 0.000 0.454 344 A N 1.537 124.301 122.820 -0.093 0.000 2.584 344 A HA 0.369 4.690 4.320 0.000 0.000 0.239 344 A C 0.750 178.303 177.584 -0.051 0.000 1.043 344 A CA 1.008 52.963 52.037 -0.137 0.000 0.756 344 A CB -0.103 18.838 19.000 -0.098 0.000 0.963 344 A HN 0.691 nan 8.150 nan 0.000 0.511 345 A N 3.451 126.245 122.820 -0.044 0.000 1.903 345 A HA 0.467 4.788 4.320 0.000 0.000 0.217 345 A C 1.908 179.502 177.584 0.017 0.000 1.387 345 A CA 1.577 53.636 52.037 0.037 0.000 0.604 345 A CB -1.210 17.843 19.000 0.088 0.000 1.043 345 A HN 2.729 nan 8.150 nan 0.000 0.481 346 A N -2.043 120.781 122.820 0.007 0.000 2.826 346 A HA -0.090 4.230 4.320 0.000 0.000 0.274 346 A C 0.341 177.936 177.584 0.018 0.000 1.443 346 A CA 0.767 52.807 52.037 0.005 0.000 0.833 346 A CB -2.511 16.484 19.000 -0.008 0.000 1.023 346 A HN 1.073 nan 8.150 nan 0.000 0.600 347 V N 2.300 122.233 119.914 0.031 0.000 2.406 347 V HA 0.432 4.553 4.120 0.000 0.000 0.272 347 V C -0.224 175.890 176.094 0.032 0.000 1.043 347 V CA -0.694 61.627 62.300 0.035 0.000 0.915 347 V CB 0.572 32.424 31.823 0.049 0.000 0.988 347 V HN 0.629 nan 8.190 nan 0.000 0.466 348 P HA 0.317 nan 4.420 nan 0.000 0.288 348 P C -0.552 176.765 177.300 0.028 0.000 1.291 348 P CA -0.344 62.771 63.100 0.024 0.000 0.766 348 P CB 0.796 32.508 31.700 0.019 0.000 1.242 359 T N -2.523 111.986 114.554 -0.075 0.000 2.907 359 T HA 0.630 4.980 4.350 0.000 0.000 0.290 359 T C -0.667 173.928 174.700 -0.176 0.000 1.066 359 T CA -0.467 61.630 62.100 -0.006 0.000 1.012 359 T CB 1.588 70.498 68.868 0.069 0.000 1.184 359 T HN 0.046 nan 8.240 nan 0.000 0.522 360 F N -0.000 120.004 119.950 0.090 0.000 2.811 360 F HA 0.438 4.965 4.527 0.000 0.000 0.342 360 F C 0.055 175.887 175.800 0.054 0.000 1.203 360 F CA -0.479 57.573 58.000 0.087 0.000 1.173 360 F CB 0.864 39.895 39.000 0.051 0.000 1.094 360 F HN 0.312 nan 8.300 nan 0.000 0.510 361 L N 1.498 122.795 121.223 0.123 0.000 3.047 361 L HA 0.370 4.710 4.340 0.000 0.000 0.242 361 L C -0.732 175.972 176.870 -0.277 0.000 1.315 361 L CA 0.186 55.000 54.840 -0.043 0.000 1.042 361 L CB -0.703 41.294 42.059 -0.104 0.000 1.420 361 L HN 0.057 nan 8.230 nan 0.000 0.517 362 H N 0.143 119.247 119.070 0.057 0.000 2.954 362 H HA 0.414 4.971 4.556 0.000 0.000 0.361 362 H C -2.424 172.949 175.328 0.074 0.000 1.122 362 H CA -1.596 54.487 56.048 0.059 0.000 1.217 362 H CB 1.931 31.725 29.762 0.053 0.000 1.776 362 H HN 0.020 nan 8.280 nan 0.000 0.533 363 P HA 0.072 nan 4.420 nan 0.000 0.262 363 P C -0.061 177.296 177.300 0.096 0.000 1.182 363 P CA 0.425 63.589 63.100 0.107 0.000 0.761 363 P CB 0.792 32.538 31.700 0.077 0.000 0.795 364 I N 3.970 124.588 120.570 0.080 0.000 2.377 364 I HA 0.366 4.536 4.170 0.000 0.000 0.293 364 I C 0.538 176.670 176.117 0.024 0.000 0.987 364 I CA -0.736 60.623 61.300 0.098 0.000 1.185 364 I CB 1.260 39.351 38.000 0.152 0.000 1.341 364 I HN 0.146 nan 8.210 nan 0.000 0.455 365 I N 6.059 126.633 120.570 0.007 0.000 2.382 365 I HA 0.290 4.460 4.170 0.000 0.000 0.285 365 I C -0.419 175.702 176.117 0.007 0.000 1.007 365 I CA -0.330 60.937 61.300 -0.056 0.000 1.142 365 I CB 1.474 39.374 38.000 -0.166 0.000 1.289 365 I HN 0.570 nan 8.210 nan 0.000 0.453 366 Q N 6.810 126.598 119.800 -0.020 0.000 2.401 366 Q HA 0.389 4.729 4.340 0.000 0.000 0.260 366 Q C -0.815 175.135 176.000 -0.084 0.000 1.034 366 Q CA -0.723 55.066 55.803 -0.023 0.000 0.737 366 Q CB 1.298 29.967 28.738 -0.116 0.000 1.227 366 Q HN 0.534 nan 8.270 nan 0.000 0.488 367 I N 4.768 125.274 120.570 -0.106 0.000 2.270 367 I HA 0.024 4.194 4.170 0.000 0.000 0.300 367 I C 0.183 176.298 176.117 -0.004 0.000 1.186 367 I CA 0.297 61.519 61.300 -0.131 0.000 1.431 367 I CB -0.637 37.156 38.000 -0.345 0.000 1.485 367 I HN 0.633 nan 8.210 nan 0.000 0.650 368 D N 3.242 123.578 120.400 -0.108 0.000 2.433 368 D HA 0.099 4.740 4.640 0.000 0.000 0.211 368 D C 0.735 176.539 176.300 -0.828 0.000 1.114 368 D CA -0.068 53.784 54.000 -0.246 0.000 0.837 368 D CB 0.523 41.215 40.800 -0.179 0.000 0.984 368 D HN 0.289 nan 8.370 nan 0.000 0.505 369 R N 0.212 120.355 120.500 -0.595 0.000 2.875 369 R HA 0.601 4.941 4.340 0.000 0.000 0.251 369 R C -0.232 175.888 176.300 -0.300 0.000 1.123 369 R CA -0.868 54.872 56.100 -0.599 0.000 1.064 369 R CB 1.181 31.347 30.300 -0.223 0.000 1.205 369 R HN 0.024 nan 8.270 nan 0.000 0.503 370 S N 1.216 116.857 115.700 -0.098 0.000 2.533 370 S HA 0.268 4.738 4.470 0.000 0.000 0.282 370 S C -0.280 174.444 174.600 0.207 0.000 1.304 370 S CA -0.503 57.782 58.200 0.143 0.000 1.063 370 S CB -0.264 62.985 63.200 0.081 0.000 0.881 370 S HN 0.444 nan 8.310 nan 0.000 0.493 371 F N -0.489 119.565 119.950 0.173 0.000 2.629 371 F HA 0.774 5.301 4.527 0.001 0.000 0.316 371 F C -0.614 175.302 175.800 0.194 0.000 1.081 371 F CA -1.738 56.365 58.000 0.172 0.000 0.954 371 F CB 1.277 40.402 39.000 0.209 0.000 1.337 371 F HN 0.357 nan 8.300 nan 0.000 0.474 372 M N 2.237 122.074 119.600 0.394 0.000 2.444 372 M HA 0.603 5.083 4.480 0.000 0.000 0.319 372 M C -1.513 175.043 176.300 0.426 0.000 1.183 372 M CA -0.996 54.480 55.300 0.294 0.000 1.032 372 M CB 1.973 34.690 32.600 0.194 0.000 1.569 372 M HN 0.707 nan 8.290 nan 0.000 0.468 373 L N 2.779 124.186 121.223 0.306 0.000 2.431 373 L HA 0.697 5.038 4.340 0.000 0.000 0.266 373 L C -2.152 174.838 176.870 0.200 0.000 0.978 373 L CA -0.372 54.621 54.840 0.255 0.000 0.822 373 L CB 1.918 44.189 42.059 0.354 0.000 1.310 373 L HN 0.570 nan 8.230 nan 0.000 0.409 374 L N 5.648 126.946 121.223 0.126 0.000 2.410 374 L HA 0.611 4.951 4.340 0.000 0.000 0.270 374 L C -1.089 175.871 176.870 0.149 0.000 0.983 374 L CA -0.166 54.760 54.840 0.143 0.000 0.822 374 L CB 1.998 44.158 42.059 0.168 0.000 1.285 374 L HN 0.444 nan 8.230 nan 0.000 0.409 375 I N 4.084 124.757 120.570 0.171 0.000 2.355 375 I HA 0.498 4.669 4.170 0.000 0.000 0.288 375 I C -0.565 175.582 176.117 0.049 0.000 0.999 375 I CA 0.012 61.420 61.300 0.181 0.000 1.163 375 I CB 1.263 39.421 38.000 0.264 0.000 1.316 375 I HN 0.343 nan 8.210 nan 0.000 0.454 376 L N 5.100 126.368 121.223 0.075 0.000 2.322 376 L HA 0.652 4.992 4.340 0.000 0.000 0.269 376 L C 0.042 176.917 176.870 0.009 0.000 1.012 376 L CA -0.753 54.098 54.840 0.017 0.000 0.815 376 L CB 1.323 43.414 42.059 0.054 0.000 1.295 376 L HN 0.431 nan 8.230 nan 0.000 0.438 377 E N 1.294 121.475 120.200 -0.031 0.000 2.158 377 E HA 0.297 4.647 4.350 0.000 0.000 0.271 377 E C 0.187 176.779 176.600 -0.013 0.000 0.911 377 E CA -0.421 55.969 56.400 -0.017 0.000 0.767 377 E CB 1.691 31.359 29.700 -0.053 0.000 1.120 377 E HN 0.509 nan 8.360 nan 0.000 0.405 378 R N 1.357 121.864 120.500 0.013 0.000 2.080 378 R HA -0.138 4.202 4.340 0.000 0.000 0.236 378 R C 2.114 178.391 176.300 -0.038 0.000 1.137 378 R CA 2.078 58.177 56.100 -0.002 0.000 0.943 378 R CB -0.162 30.151 30.300 0.021 0.000 0.846 378 R HN 0.572 nan 8.270 nan 0.000 0.431 379 S N -0.550 115.129 115.700 -0.036 0.000 2.453 379 S HA -0.081 4.389 4.470 0.000 0.000 0.231 379 S C 1.710 176.246 174.600 -0.107 0.000 1.005 379 S CA 1.391 59.557 58.200 -0.057 0.000 0.949 379 S CB 0.015 63.194 63.200 -0.034 0.000 0.774 379 S HN 0.466 nan 8.310 nan 0.000 0.510 380 T N -2.344 112.139 114.554 -0.117 0.000 3.043 380 T HA 0.398 4.748 4.350 0.000 0.000 0.272 380 T C 0.386 174.966 174.700 -0.200 0.000 0.990 380 T CA -0.443 61.549 62.100 -0.180 0.000 0.897 380 T CB -0.285 68.530 68.868 -0.088 0.000 1.111 380 T HN 0.358 nan 8.240 nan 0.000 0.529 381 R N 1.049 121.465 120.500 -0.140 0.000 3.525 381 R HA -0.119 4.222 4.340 0.000 0.000 0.276 381 R C -0.601 175.645 176.300 -0.089 0.000 1.116 381 R CA 0.481 56.516 56.100 -0.108 0.000 0.745 381 R CB -2.542 27.679 30.300 -0.131 0.000 1.185 381 R HN 0.452 nan 8.270 nan 0.000 0.454 382 S N 0.442 116.089 115.700 -0.088 0.000 2.610 382 S HA 0.484 4.954 4.470 0.000 0.000 0.273 382 S C 0.710 175.246 174.600 -0.108 0.000 1.274 382 S CA -0.614 57.531 58.200 -0.092 0.000 1.023 382 S CB 1.212 64.354 63.200 -0.097 0.000 0.962 382 S HN 0.219 nan 8.310 nan 0.000 0.523 383 I N 3.191 123.680 120.570 -0.134 0.000 2.287 383 I HA 0.161 4.331 4.170 0.000 0.000 0.290 383 I C 0.678 176.638 176.117 -0.262 0.000 1.069 383 I CA -0.175 61.022 61.300 -0.170 0.000 1.237 383 I CB 0.434 38.310 38.000 -0.205 0.000 1.418 383 I HN 0.593 nan 8.210 nan 0.000 0.481 384 L N 5.822 126.853 121.223 -0.320 0.000 2.109 384 L HA 0.091 4.431 4.340 0.000 0.000 0.207 384 L C -0.093 176.190 176.870 -0.979 0.000 1.086 384 L CA 1.397 55.870 54.840 -0.611 0.000 0.760 384 L CB -0.138 41.525 42.059 -0.660 0.000 0.910 384 L HN 0.388 nan 8.230 nan 0.000 0.437 385 F N -1.070 118.690 119.950 -0.317 0.000 2.608 385 F HA 0.566 5.093 4.527 0.000 0.000 0.309 385 F C -0.566 175.014 175.800 -0.365 0.000 1.103 385 F CA -0.881 56.858 58.000 -0.435 0.000 0.954 385 F CB 2.128 40.899 39.000 -0.382 0.000 1.267 385 F HN -0.375 nan 8.300 nan 0.000 0.444 386 L N 1.666 122.660 121.223 -0.383 0.000 2.376 386 L HA 1.054 5.394 4.340 0.000 0.000 0.258 386 L C -0.569 176.252 176.870 -0.082 0.000 1.013 386 L CA -0.210 54.476 54.840 -0.257 0.000 0.822 386 L CB 2.311 44.097 42.059 -0.454 0.000 1.388 386 L HN 0.793 nan 8.230 nan 0.000 0.413 387 G N 1.786 110.724 108.800 0.231 0.000 2.316 387 G HA2 0.255 4.215 3.960 0.000 0.000 0.296 387 G HA3 0.255 4.215 3.960 0.000 0.000 0.296 387 G C -2.187 172.973 174.900 0.435 0.000 1.399 387 G CA -0.879 44.529 45.100 0.513 0.000 0.833 387 G HN 0.626 nan 8.290 nan 0.000 0.565 388 K N 0.002 120.676 120.400 0.456 0.000 2.270 388 K HA 0.651 4.971 4.320 0.000 0.000 0.255 388 K C -0.868 175.754 176.600 0.037 0.000 0.936 388 K CA -0.660 55.778 56.287 0.251 0.000 0.809 388 K CB 2.089 34.797 32.500 0.346 0.000 1.131 388 K HN 0.299 nan 8.250 nan 0.000 0.427 389 V N 5.321 125.068 119.914 -0.280 0.000 2.318 389 V HA 0.098 4.218 4.120 0.000 0.000 0.271 389 V C 0.976 176.899 176.094 -0.285 0.000 1.030 389 V CA -0.442 61.589 62.300 -0.448 0.000 0.844 389 V CB 1.106 32.297 31.823 -1.054 0.000 1.015 389 V HN 0.686 nan 8.190 nan 0.000 0.460 390 V N 3.142 122.996 119.914 -0.099 0.000 2.374 390 V HA 0.103 4.224 4.120 0.000 0.000 0.241 390 V C 0.932 177.060 176.094 0.057 0.000 1.034 390 V CA 1.090 63.395 62.300 0.008 0.000 1.037 390 V CB -0.063 31.778 31.823 0.030 0.000 0.682 390 V HN 0.889 nan 8.190 nan 0.000 0.463 391 N N 0.322 118.996 118.700 -0.042 0.000 2.461 391 N HA 0.246 4.986 4.740 0.000 0.000 0.284 391 N C -2.683 172.687 175.510 -0.235 0.000 1.049 391 N CA -1.433 51.566 53.050 -0.086 0.000 0.889 391 N CB 2.617 41.090 38.487 -0.022 0.000 1.365 391 N HN 0.009 nan 8.380 nan 0.000 0.499 392 P HA 0.095 nan 4.420 nan 0.000 0.245 392 P C 0.249 177.449 177.300 -0.167 0.000 1.212 392 P CA 0.623 63.440 63.100 -0.471 0.000 0.774 392 P CB -0.083 31.071 31.700 -0.910 0.000 0.999 393 T N -2.604 111.869 114.554 -0.135 0.000 3.243 393 T HA 0.359 4.709 4.350 0.000 0.000 0.245 393 T C 0.109 174.794 174.700 -0.025 0.000 1.263 393 T CA -0.691 61.378 62.100 -0.052 0.000 1.228 393 T CB -0.432 68.407 68.868 -0.049 0.000 1.097 393 T HN 0.174 nan 8.240 nan 0.000 0.628 394 E N 0.000 120.194 120.200 -0.011 0.000 2.725 394 E HA 0.000 4.350 4.350 0.000 0.000 0.291 394 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 394 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 394 E HN 0.000 nan 8.360 nan 0.000 0.440