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 1b76_1_A DATA FIRST_RESID 1 DATA SEQUENCE AASSLDELVA LCKRRGFIFQ SSEIYGGLQG VYDYGPLGVE LKNNLKQAWW DATA SEQUENCE RRNVYERDDM EGLDASVLTH RLVLHYSGHE ATFADPMVDN AKARYXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXWT PPRYFNMMFQ DLRGPRGGRG LLAYLRPETA QGIFVNFKNV DATA SEQUENCE LDATSRKLGF GIAQIGKAFR NEITPRNFIF RVREFEQMEI EYFVRPGEDE DATA SEQUENCE YWHRYWVEER LKWWQEMGLS RENLVPYQQP PESSAHYAKA TVDILYRFPH DATA SEQUENCE GSLELEGIAQ RTDFDLGSHT KDQEALGITA RVLRNEHSTQ RLAYRDPETG DATA SEQUENCE KWFVPYVIEP SAGVDRGVLA LLAEAFTREE LPNGEERIVL KLKPQLAPIK DATA SEQUENCE VAVIPLVKNR PEITEYAKRL KARLLALGLG RVLYEDTGNI GKAYRRHDEV DATA SEQUENCE GTPFAVTVDY DTIGQSKDGT TRLKDTVTVR DRDTMEQIRL HVDELEGFLR DATA SEQUENCE ERLRW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.625 177.584 0.068 0.000 1.274 1 A CA 0.000 52.080 52.037 0.071 0.000 0.836 1 A CB 0.000 19.020 19.000 0.033 0.000 0.831 2 A N 2.702 125.502 122.820 -0.034 0.000 2.267 2 A HA 0.368 nan 4.320 nan 0.000 0.315 2 A C -0.208 177.222 177.584 -0.257 0.000 1.297 2 A CA -1.047 50.813 52.037 -0.294 0.000 0.865 2 A CB 0.260 18.851 19.000 -0.682 0.000 1.165 2 A HN 0.278 8.418 8.150 -0.016 0.000 0.513 3 S N 3.922 119.498 115.700 -0.206 0.000 2.378 3 S HA -0.275 nan 4.470 nan 0.000 0.221 3 S C -0.017 174.500 174.600 -0.138 0.000 1.037 3 S CA 1.935 60.053 58.200 -0.136 0.000 1.069 3 S CB -0.137 63.013 63.200 -0.084 0.000 1.006 3 S HN 0.559 8.778 8.310 -0.182 -0.018 0.423 4 S N -1.523 114.078 115.700 -0.165 0.000 2.462 4 S HA 0.116 nan 4.470 nan 0.000 0.294 4 S C 0.503 175.021 174.600 -0.137 0.000 1.144 4 S CA -1.432 56.699 58.200 -0.114 0.000 1.088 4 S CB 1.701 64.854 63.200 -0.078 0.000 1.009 4 S HN -0.457 7.884 8.310 -0.206 -0.155 0.484 5 L N 5.078 126.270 121.223 -0.052 0.000 2.081 5 L HA -0.352 nan 4.340 nan 0.000 0.212 5 L C 0.933 177.752 176.870 -0.086 0.000 1.080 5 L CA 3.168 57.998 54.840 -0.018 0.000 0.754 5 L CB -0.792 41.325 42.059 0.096 0.000 0.893 5 L HN 0.899 9.125 8.230 -0.007 0.000 0.433 6 D N -3.199 117.149 120.400 -0.087 0.000 2.158 6 D HA -0.382 nan 4.640 nan 0.000 0.197 6 D C 2.814 179.047 176.300 -0.112 0.000 0.995 6 D CA 3.951 57.886 54.000 -0.108 0.000 0.846 6 D CB -0.883 39.878 40.800 -0.066 0.000 0.941 6 D HN 0.487 8.816 8.370 -0.057 0.007 0.456 7 E N 0.166 120.290 120.200 -0.126 0.000 2.023 7 E HA -0.348 nan 4.350 nan 0.000 0.196 7 E C 2.503 179.075 176.600 -0.048 0.000 1.003 7 E CA 2.702 59.044 56.400 -0.098 0.000 0.809 7 E CB -0.198 29.287 29.700 -0.359 0.000 0.755 7 E HN -0.209 7.941 8.360 -0.145 0.123 0.449 8 L N -1.275 119.848 121.223 -0.167 0.000 2.013 8 L HA -0.434 nan 4.340 nan 0.000 0.212 8 L C 2.326 179.178 176.870 -0.029 0.000 1.073 8 L CA 3.155 57.975 54.840 -0.032 0.000 0.753 8 L CB -0.471 41.584 42.059 -0.007 0.000 0.890 8 L HN -0.673 7.392 8.230 -0.274 0.000 0.432 9 V N -1.683 118.087 119.914 -0.240 0.000 2.332 9 V HA -0.515 nan 4.120 nan 0.000 0.248 9 V C 2.015 177.957 176.094 -0.254 0.000 1.055 9 V CA 4.011 65.950 62.300 -0.602 0.000 1.038 9 V CB -1.325 30.059 31.823 -0.732 0.000 0.651 9 V HN 0.400 8.279 8.190 -0.212 0.183 0.450 10 A N -0.839 121.916 122.820 -0.108 0.000 1.841 10 A HA -0.280 nan 4.320 nan 0.000 0.214 10 A C 1.660 179.270 177.584 0.042 0.000 1.195 10 A CA 3.160 55.188 52.037 -0.015 0.000 0.611 10 A CB -0.607 18.402 19.000 0.015 0.000 0.835 10 A HN -0.067 7.939 8.150 -0.102 0.084 0.443 11 L N -2.042 119.226 121.223 0.075 0.000 2.043 11 L HA -0.470 nan 4.340 nan 0.000 0.212 11 L C 1.804 178.731 176.870 0.095 0.000 1.075 11 L CA 3.153 58.045 54.840 0.087 0.000 0.752 11 L CB -0.130 41.988 42.059 0.099 0.000 0.891 11 L HN -0.257 8.031 8.230 0.097 0.000 0.432 12 C N -3.293 116.037 119.300 0.051 0.000 2.411 12 C HA -0.421 nan 4.460 nan 0.000 0.279 12 C C 1.858 176.932 174.990 0.140 0.000 1.288 12 C CA 4.089 63.177 59.018 0.117 0.000 1.764 12 C CB -1.906 25.958 27.740 0.208 0.000 1.974 12 C HN 0.145 8.383 8.230 0.026 0.008 0.498 13 K N -0.827 119.645 120.400 0.120 0.000 2.308 13 K HA -0.046 nan 4.320 nan 0.000 0.197 13 K C 1.565 178.305 176.600 0.233 0.000 1.049 13 K CA 1.749 58.147 56.287 0.186 0.000 0.991 13 K CB 0.207 32.842 32.500 0.225 0.000 0.836 13 K HN -0.530 7.645 8.250 0.088 0.128 0.500 14 R N -1.488 119.112 120.500 0.166 0.000 2.235 14 R HA -0.183 nan 4.340 nan 0.000 0.213 14 R C 1.230 177.622 176.300 0.152 0.000 1.059 14 R CA 2.233 58.422 56.100 0.147 0.000 0.997 14 R CB 0.502 30.865 30.300 0.105 0.000 0.884 14 R HN 0.042 8.210 8.270 0.135 0.183 0.462 15 R N -3.453 117.157 120.500 0.183 0.000 2.509 15 R HA 0.180 nan 4.340 nan 0.000 0.297 15 R C -0.983 175.331 176.300 0.022 0.000 0.951 15 R CA -2.256 53.934 56.100 0.148 0.000 1.103 15 R CB 0.613 31.087 30.300 0.290 0.000 1.283 15 R HN -0.519 7.832 8.270 0.213 0.046 0.534 16 G N -1.585 107.201 108.800 -0.023 0.000 2.248 16 G HA2 -0.316 nan 3.960 nan 0.000 0.263 16 G HA3 -0.316 nan 3.960 nan 0.000 0.263 16 G C -0.226 174.390 174.900 -0.472 0.000 1.082 16 G CA 0.349 45.224 45.100 -0.374 0.000 0.863 16 G HN -0.013 8.197 8.290 0.061 0.117 0.495 17 F N 0.090 119.822 119.950 -0.364 0.000 2.202 17 F HA 0.122 nan 4.527 nan 0.000 0.279 17 F C -0.197 175.395 175.800 -0.348 0.000 1.077 17 F CA 3.154 61.029 58.000 -0.208 0.000 1.193 17 F CB 1.492 40.443 39.000 -0.081 0.000 1.090 17 F HN 0.206 8.436 8.300 0.056 0.105 0.516 18 I N -3.970 116.523 120.570 -0.128 0.000 2.509 18 I HA 0.168 nan 4.170 nan 0.000 0.293 18 I C -1.622 174.436 176.117 -0.099 0.000 1.020 18 I CA -0.473 60.700 61.300 -0.211 0.000 1.088 18 I CB 3.004 40.915 38.000 -0.149 0.000 1.267 18 I HN -0.510 7.604 8.210 0.034 0.117 0.430 19 F N 4.157 124.216 119.950 0.182 0.000 2.561 19 F HA 0.312 nan 4.527 nan 0.000 0.321 19 F C -1.001 174.876 175.800 0.130 0.000 1.065 19 F CA -3.054 55.036 58.000 0.150 0.000 0.934 19 F CB 3.936 42.992 39.000 0.094 0.000 1.215 19 F HN 0.862 9.123 8.300 0.126 0.115 0.471 20 Q N 2.676 122.630 119.800 0.256 0.000 2.325 20 Q HA -0.093 nan 4.340 nan 0.000 0.256 20 Q C -0.269 175.707 176.000 -0.041 0.000 1.142 20 Q CA -0.498 55.265 55.803 -0.067 0.000 0.902 20 Q CB -0.459 28.251 28.738 -0.047 0.000 1.350 20 Q HN 0.450 8.910 8.270 0.316 0.000 0.449 21 S N 3.301 118.945 115.700 -0.094 0.000 2.561 21 S HA -0.302 nan 4.470 nan 0.000 0.294 21 S C 0.346 174.946 174.600 0.000 0.000 1.294 21 S CA 1.215 59.418 58.200 0.004 0.000 1.055 21 S CB 0.239 63.454 63.200 0.025 0.000 0.819 21 S HN 0.170 8.324 8.310 -0.259 0.000 0.503 22 S N 4.435 120.160 115.700 0.041 0.000 3.533 22 S HA -0.476 nan 4.470 nan 0.000 0.347 22 S C 0.624 175.265 174.600 0.069 0.000 1.101 22 S CA 1.407 59.647 58.200 0.066 0.000 1.009 22 S CB -1.120 62.111 63.200 0.052 0.000 0.916 22 S HN 0.746 9.090 8.310 0.057 0.000 0.496 23 E N 0.625 120.842 120.200 0.027 0.000 2.118 23 E HA -0.390 nan 4.350 nan 0.000 0.195 23 E C 1.663 178.259 176.600 -0.006 0.000 0.992 23 E CA 3.276 59.676 56.400 0.001 0.000 0.804 23 E CB -0.321 29.364 29.700 -0.025 0.000 0.741 23 E HN -0.581 7.769 8.360 0.019 0.021 0.458 24 I N -3.491 117.072 120.570 -0.012 0.000 2.151 24 I HA -0.261 nan 4.170 nan 0.000 0.243 24 I C 1.409 177.407 176.117 -0.199 0.000 1.080 24 I CA 2.879 64.107 61.300 -0.121 0.000 1.339 24 I CB -0.407 37.494 38.000 -0.166 0.000 1.039 24 I HN -0.238 7.979 8.210 0.012 0.000 0.409 25 Y N 0.849 121.135 120.300 -0.023 0.000 2.881 25 Y HA -0.017 nan 4.550 nan 0.000 0.369 25 Y C 0.227 176.117 175.900 -0.017 0.000 1.066 25 Y CA -0.367 57.722 58.100 -0.018 0.000 1.616 25 Y CB -1.959 36.492 38.460 -0.015 0.000 1.436 25 Y HN -0.524 7.939 8.280 0.304 0.000 0.505 26 G N 0.453 109.286 108.800 0.057 0.000 5.005 26 G HA2 -0.347 nan 3.960 nan 0.000 0.251 26 G HA3 -0.347 nan 3.960 nan 0.000 0.251 26 G C -0.691 174.226 174.900 0.028 0.000 1.536 26 G CA -0.441 44.681 45.100 0.037 0.000 1.060 26 G HN -0.206 7.992 8.290 0.003 0.093 0.683 27 G N 0.452 109.278 108.800 0.042 0.000 2.307 27 G HA2 -0.170 nan 3.960 nan 0.000 0.348 27 G HA3 -0.170 nan 3.960 nan 0.000 0.348 27 G C -2.141 172.768 174.900 0.016 0.000 1.603 27 G CA -0.405 44.703 45.100 0.014 0.000 0.961 27 G HN -0.676 7.618 8.290 0.066 0.036 0.686 28 L N 1.608 122.835 121.223 0.006 0.000 2.255 28 L HA 0.194 nan 4.340 nan 0.000 0.289 28 L C -0.804 176.080 176.870 0.023 0.000 1.046 28 L CA -1.323 53.531 54.840 0.024 0.000 0.816 28 L CB 1.814 43.889 42.059 0.027 0.000 1.197 28 L HN -0.075 8.149 8.230 -0.009 0.000 0.427 29 Q N 6.996 126.825 119.800 0.048 0.000 2.361 29 Q HA -0.106 nan 4.340 nan 0.000 0.276 29 Q C 0.318 176.396 176.000 0.129 0.000 1.022 29 Q CA 1.056 56.900 55.803 0.069 0.000 0.898 29 Q CB 0.776 29.560 28.738 0.075 0.000 1.246 29 Q HN 0.449 8.749 8.270 0.051 0.000 0.410 30 G N 0.372 109.280 108.800 0.180 0.000 2.153 30 G HA2 -0.424 nan 3.960 nan 0.000 0.252 30 G HA3 -0.424 nan 3.960 nan 0.000 0.252 30 G C -1.784 173.306 174.900 0.317 0.000 0.994 30 G CA 0.536 45.802 45.100 0.278 0.000 0.698 30 G HN 0.470 8.861 8.290 0.168 0.000 0.521 31 V N -3.614 116.436 119.914 0.228 0.000 2.638 31 V HA 0.554 nan 4.120 nan 0.000 0.306 31 V C -2.267 173.911 176.094 0.141 0.000 1.052 31 V CA -2.394 60.043 62.300 0.230 0.000 0.885 31 V CB 2.236 34.150 31.823 0.150 0.000 0.999 31 V HN -1.000 7.205 8.190 0.097 0.043 0.424 32 Y N 5.467 125.857 120.300 0.150 0.000 2.630 32 Y HA 0.680 nan 4.550 nan 0.000 0.337 32 Y C -0.827 175.159 175.900 0.143 0.000 1.051 32 Y CA -1.580 56.598 58.100 0.130 0.000 1.121 32 Y CB 3.801 42.298 38.460 0.062 0.000 1.299 32 Y HN 0.305 8.840 8.280 0.425 0.000 0.498 33 D N -0.123 120.447 120.400 0.283 0.000 2.502 33 D HA 0.290 nan 4.640 nan 0.000 0.249 33 D C -1.708 174.712 176.300 0.200 0.000 1.092 33 D CA -1.378 52.784 54.000 0.270 0.000 0.839 33 D CB 3.036 44.001 40.800 0.276 0.000 1.264 33 D HN 0.726 9.276 8.370 0.299 0.000 0.511 34 Y N 2.534 122.929 120.300 0.158 0.000 2.452 34 Y HA 0.069 nan 4.550 nan 0.000 0.348 34 Y C 0.435 176.366 175.900 0.052 0.000 0.985 34 Y CA -0.099 58.052 58.100 0.086 0.000 1.214 34 Y CB 0.397 38.899 38.460 0.070 0.000 1.136 34 Y HN 0.351 8.902 8.280 0.451 0.000 0.523 35 G N 5.173 113.958 108.800 -0.026 0.000 2.611 35 G HA2 0.265 nan 3.960 nan 0.000 0.273 35 G HA3 0.265 nan 3.960 nan 0.000 0.273 35 G C -1.513 173.379 174.900 -0.013 0.000 1.305 35 G CA -1.417 43.659 45.100 -0.040 0.000 1.010 35 G HN 0.444 8.497 8.290 -0.227 0.100 0.509 36 P HA -0.397 nan 4.420 nan 0.000 0.221 36 P C 1.382 178.613 177.300 -0.114 0.000 1.160 36 P CA 3.319 66.407 63.100 -0.021 0.000 0.933 36 P CB 0.166 31.862 31.700 -0.005 0.000 0.793 37 L N -5.299 115.745 121.223 -0.298 0.000 2.156 37 L HA -0.207 nan 4.340 nan 0.000 0.208 37 L C 2.292 178.950 176.870 -0.353 0.000 1.095 37 L CA 2.616 57.146 54.840 -0.517 0.000 0.770 37 L CB -0.605 40.756 42.059 -1.163 0.000 0.914 37 L HN -0.243 7.788 8.230 -0.331 0.000 0.439 38 G N -0.057 108.643 108.800 -0.167 0.000 2.421 38 G HA2 -0.331 nan 3.960 nan 0.000 0.216 38 G HA3 -0.331 nan 3.960 nan 0.000 0.216 38 G C 1.255 176.308 174.900 0.255 0.000 1.171 38 G CA 2.388 47.650 45.100 0.270 0.000 0.775 38 G HN -0.610 7.438 8.290 -0.245 0.095 0.543 39 V N 2.724 122.725 119.914 0.144 0.000 2.252 39 V HA -0.544 nan 4.120 nan 0.000 0.249 39 V C 2.461 178.577 176.094 0.036 0.000 1.056 39 V CA 4.028 66.370 62.300 0.071 0.000 1.022 39 V CB -0.971 30.886 31.823 0.058 0.000 0.641 39 V HN 0.482 8.735 8.190 0.105 0.000 0.445 40 E N -1.065 119.153 120.200 0.031 0.000 2.023 40 E HA -0.395 nan 4.350 nan 0.000 0.196 40 E C 2.311 178.955 176.600 0.074 0.000 1.003 40 E CA 2.286 58.711 56.400 0.042 0.000 0.809 40 E CB -0.904 28.812 29.700 0.026 0.000 0.755 40 E HN -0.798 7.568 8.360 0.010 0.000 0.449 41 L N 0.265 121.552 121.223 0.105 0.000 1.997 41 L HA -0.415 nan 4.340 nan 0.000 0.216 41 L C 1.736 178.677 176.870 0.118 0.000 1.074 41 L CA 3.139 58.075 54.840 0.160 0.000 0.763 41 L CB -0.382 41.843 42.059 0.276 0.000 0.890 41 L HN -0.122 8.159 8.230 0.084 0.000 0.434 42 K N -1.715 118.720 120.400 0.058 0.000 2.032 42 K HA -0.507 nan 4.320 nan 0.000 0.209 42 K C 2.101 178.696 176.600 -0.009 0.000 1.048 42 K CA 4.027 60.285 56.287 -0.048 0.000 0.927 42 K CB -0.339 31.989 32.500 -0.286 0.000 0.712 42 K HN 0.025 8.321 8.250 0.076 0.000 0.441 43 N N -0.354 118.347 118.700 0.000 0.000 2.188 43 N HA -0.334 nan 4.740 nan 0.000 0.184 43 N C 2.330 177.881 175.510 0.069 0.000 1.018 43 N CA 3.344 56.403 53.050 0.015 0.000 0.858 43 N CB -0.222 38.268 38.487 0.005 0.000 0.989 43 N HN 0.014 8.394 8.380 -0.000 0.000 0.426 44 N N 1.323 120.086 118.700 0.105 0.000 2.166 44 N HA -0.286 nan 4.740 nan 0.000 0.186 44 N C 2.146 177.778 175.510 0.203 0.000 1.019 44 N CA 3.024 56.175 53.050 0.168 0.000 0.856 44 N CB -0.458 38.146 38.487 0.195 0.000 0.993 44 N HN 0.373 8.809 8.380 0.093 0.000 0.426 45 L N 1.139 122.470 121.223 0.180 0.000 2.023 45 L HA -0.249 nan 4.340 nan 0.000 0.205 45 L C 0.995 178.010 176.870 0.242 0.000 1.073 45 L CA 3.269 58.242 54.840 0.222 0.000 0.745 45 L CB -0.163 42.004 42.059 0.180 0.000 0.900 45 L HN 0.255 8.471 8.230 0.141 0.098 0.435 46 K N -1.528 118.958 120.400 0.143 0.000 2.074 46 K HA -0.502 nan 4.320 nan 0.000 0.209 46 K C 2.704 179.435 176.600 0.220 0.000 1.048 46 K CA 3.810 60.177 56.287 0.134 0.000 0.926 46 K CB -0.345 32.174 32.500 0.032 0.000 0.713 46 K HN 0.314 8.505 8.250 0.094 0.115 0.444 47 Q N -1.208 118.677 119.800 0.142 0.000 2.050 47 Q HA -0.344 nan 4.340 nan 0.000 0.202 47 Q C 2.359 178.420 176.000 0.103 0.000 0.980 47 Q CA 3.002 58.867 55.803 0.103 0.000 0.840 47 Q CB -0.269 28.501 28.738 0.052 0.000 0.898 47 Q HN 0.444 8.659 8.270 0.116 0.124 0.424 48 A N -0.333 122.554 122.820 0.111 0.000 1.948 48 A HA -0.287 nan 4.320 nan 0.000 0.220 48 A C 1.771 179.422 177.584 0.112 0.000 1.177 48 A CA 2.974 55.028 52.037 0.028 0.000 0.636 48 A CB -0.929 18.170 19.000 0.165 0.000 0.815 48 A HN -0.334 7.914 8.150 0.165 0.000 0.449 49 W N -1.240 120.054 121.300 -0.010 0.000 2.402 49 W HA -0.273 nan 4.660 nan 0.000 0.286 49 W C 1.143 177.477 176.519 -0.309 0.000 1.221 49 W CA 3.628 60.736 57.345 -0.395 0.000 1.257 49 W CB 0.544 29.792 29.460 -0.354 0.000 1.120 49 W HN -0.265 8.084 8.180 0.430 0.089 0.551 50 W N -0.831 120.436 121.300 -0.055 0.000 2.409 50 W HA -0.411 nan 4.660 nan 0.000 0.299 50 W C 1.595 177.789 176.519 -0.542 0.000 1.203 50 W CA 3.195 60.382 57.345 -0.264 0.000 1.298 50 W CB 0.497 29.838 29.460 -0.199 0.000 1.127 50 W HN -0.185 8.106 8.180 0.389 0.122 0.528 51 R N -0.325 120.037 120.500 -0.230 0.000 2.070 51 R HA -0.531 nan 4.340 nan 0.000 0.233 51 R C 1.688 177.827 176.300 -0.268 0.000 1.137 51 R CA 4.186 60.132 56.100 -0.257 0.000 0.945 51 R CB -0.219 29.986 30.300 -0.159 0.000 0.845 51 R HN 0.527 8.633 8.270 -0.094 0.108 0.430 52 R N -1.105 119.189 120.500 -0.344 0.000 2.073 52 R HA -0.261 nan 4.340 nan 0.000 0.234 52 R C 2.344 178.349 176.300 -0.491 0.000 1.134 52 R CA 2.497 58.368 56.100 -0.381 0.000 0.952 52 R CB -0.608 29.412 30.300 -0.468 0.000 0.850 52 R HN -0.158 7.912 8.270 -0.332 0.000 0.433 53 N N -3.821 114.418 118.700 -0.769 0.000 2.446 53 N HA -0.044 nan 4.740 nan 0.000 0.179 53 N C 0.875 176.024 175.510 -0.602 0.000 1.054 53 N CA 1.902 54.489 53.050 -0.772 0.000 0.905 53 N CB 0.931 38.629 38.487 -1.314 0.000 0.973 53 N HN -0.297 7.529 8.380 -0.923 0.000 0.448 54 V N -2.207 117.339 119.914 -0.612 0.000 2.950 54 V HA 0.077 nan 4.120 nan 0.000 0.231 54 V C 0.984 177.051 176.094 -0.045 0.000 1.205 54 V CA 1.924 63.954 62.300 -0.450 0.000 1.239 54 V CB 0.491 31.808 31.823 -0.844 0.000 1.050 54 V HN -0.319 7.483 8.190 -0.646 0.000 0.498 55 Y N -2.125 118.083 120.300 -0.153 0.000 2.163 55 Y HA -0.253 nan 4.550 nan 0.000 0.288 55 Y C 2.155 178.014 175.900 -0.068 0.000 1.136 55 Y CA 0.473 58.540 58.100 -0.056 0.000 1.147 55 Y CB -0.395 38.065 38.460 -0.000 0.000 0.987 55 Y HN -0.722 7.381 8.280 -0.294 0.000 0.509 56 E N -1.884 118.356 120.200 0.067 0.000 2.107 56 E HA -0.183 nan 4.350 nan 0.000 0.191 56 E C 0.291 176.882 176.600 -0.015 0.000 0.982 56 E CA 1.401 57.803 56.400 0.004 0.000 0.809 56 E CB 0.348 30.021 29.700 -0.045 0.000 0.756 56 E HN -0.090 8.270 8.360 0.001 0.000 0.459 57 R N -1.381 119.091 120.500 -0.048 0.000 2.641 57 R HA -0.030 nan 4.340 nan 0.000 0.269 57 R C -0.361 175.947 176.300 0.014 0.000 1.074 57 R CA 0.692 56.777 56.100 -0.025 0.000 1.133 57 R CB 0.577 30.852 30.300 -0.042 0.000 1.029 57 R HN -0.435 7.781 8.270 -0.090 0.000 0.488 58 D N 0.193 120.615 120.400 0.035 0.000 2.462 58 D HA 0.221 nan 4.640 nan 0.000 0.221 58 D C -0.653 175.683 176.300 0.060 0.000 1.173 58 D CA 1.101 55.126 54.000 0.040 0.000 0.831 58 D CB 0.302 41.122 40.800 0.034 0.000 1.001 58 D HN 0.376 8.771 8.370 0.041 0.000 0.499 59 D N -4.914 115.543 120.400 0.095 0.000 2.556 59 D HA 0.111 nan 4.640 nan 0.000 0.237 59 D C -1.388 175.035 176.300 0.205 0.000 1.296 59 D CA -0.667 53.421 54.000 0.148 0.000 0.807 59 D CB 0.589 41.509 40.800 0.199 0.000 1.084 59 D HN 0.174 8.532 8.370 0.089 0.065 0.510 60 M N -1.359 118.318 119.600 0.128 0.000 2.578 60 M HA 0.489 nan 4.480 nan 0.000 0.321 60 M C -0.954 175.385 176.300 0.065 0.000 1.182 60 M CA -0.417 54.945 55.300 0.103 0.000 0.965 60 M CB 3.305 35.883 32.600 -0.036 0.000 1.694 60 M HN -0.684 7.653 8.290 0.078 0.000 0.461 61 E N 1.852 122.103 120.200 0.085 0.000 2.248 61 E HA 0.304 nan 4.350 nan 0.000 0.267 61 E C -1.072 175.545 176.600 0.028 0.000 0.877 61 E CA -1.702 54.741 56.400 0.071 0.000 0.759 61 E CB 3.936 33.697 29.700 0.101 0.000 1.182 61 E HN -0.073 8.361 8.360 0.124 0.000 0.418 62 G N 1.194 110.034 108.800 0.065 0.000 2.528 62 G HA2 0.384 nan 3.960 nan 0.000 0.289 62 G HA3 0.384 nan 3.960 nan 0.000 0.289 62 G C -1.816 173.226 174.900 0.236 0.000 1.192 62 G CA -0.200 44.966 45.100 0.109 0.000 0.921 62 G HN 0.103 8.469 8.290 0.127 0.000 0.512 63 L N -1.441 119.977 121.223 0.326 0.000 2.622 63 L HA 0.300 nan 4.340 nan 0.000 0.258 63 L C -2.697 174.327 176.870 0.257 0.000 0.996 63 L CA 0.214 55.193 54.840 0.232 0.000 0.858 63 L CB 4.329 46.469 42.059 0.136 0.000 1.449 63 L HN -0.279 8.223 8.230 0.454 0.000 0.411 64 D N 1.836 122.326 120.400 0.150 0.000 2.328 64 D HA 0.272 nan 4.640 nan 0.000 0.243 64 D C -1.571 174.768 176.300 0.064 0.000 1.324 64 D CA -0.443 53.617 54.000 0.100 0.000 0.966 64 D CB 0.879 41.714 40.800 0.058 0.000 1.324 64 D HN -0.326 8.118 8.370 0.122 0.000 0.549 65 A N 4.396 127.249 122.820 0.056 0.000 2.240 65 A HA 0.367 nan 4.320 nan 0.000 0.292 65 A C -1.440 176.170 177.584 0.044 0.000 1.121 65 A CA -1.142 50.920 52.037 0.043 0.000 0.851 65 A CB 2.206 21.224 19.000 0.030 0.000 1.167 65 A HN 0.670 9.273 8.150 0.060 -0.417 0.503 66 S N -3.026 112.702 115.700 0.047 0.000 2.652 66 S HA 0.038 nan 4.470 nan 0.000 0.270 66 S C 1.047 175.693 174.600 0.076 0.000 1.243 66 S CA -1.263 56.970 58.200 0.055 0.000 0.999 66 S CB 2.000 65.229 63.200 0.048 0.000 0.973 66 S HN -0.088 8.248 8.310 0.044 0.000 0.544 67 V N 1.673 121.644 119.914 0.096 0.000 2.379 67 V HA -0.125 nan 4.120 nan 0.000 0.245 67 V C 0.263 176.421 176.094 0.107 0.000 1.044 67 V CA 2.096 64.486 62.300 0.150 0.000 1.036 67 V CB 0.133 32.090 31.823 0.223 0.000 0.664 67 V HN 0.357 8.596 8.190 0.082 0.000 0.453 68 L N -2.273 118.987 121.223 0.062 0.000 2.477 68 L HA -0.027 nan 4.340 nan 0.000 0.272 68 L C -0.377 176.548 176.870 0.091 0.000 1.157 68 L CA 0.438 55.309 54.840 0.053 0.000 0.889 68 L CB -0.590 41.481 42.059 0.021 0.000 1.158 68 L HN -0.672 7.589 8.230 0.051 0.000 0.473 69 T N 6.474 121.105 114.554 0.128 0.000 2.829 69 T HA 0.337 nan 4.350 nan 0.000 0.280 69 T C -1.077 173.746 174.700 0.206 0.000 0.999 69 T CA -1.283 60.922 62.100 0.174 0.000 0.983 69 T CB 1.782 70.763 68.868 0.189 0.000 0.968 69 T HN 0.791 9.001 8.240 0.133 0.110 0.446 70 H N 5.825 124.973 119.070 0.130 0.000 2.975 70 H HA -0.033 nan 4.556 nan 0.000 0.303 70 H C 0.740 176.186 175.328 0.197 0.000 1.023 70 H CA 0.875 56.994 56.048 0.119 0.000 1.473 70 H CB 1.027 30.842 29.762 0.089 0.000 1.498 70 H HN 0.499 8.955 8.280 0.294 0.000 0.549 71 R N 6.567 126.957 120.500 -0.183 0.000 2.227 71 R HA -0.523 nan 4.340 nan 0.000 0.259 71 R C 1.765 178.233 176.300 0.280 0.000 1.139 71 R CA 3.655 59.826 56.100 0.120 0.000 0.969 71 R CB -0.148 30.063 30.300 -0.149 0.000 0.903 71 R HN 0.306 8.301 8.270 -0.459 0.000 0.452 72 L N -2.109 119.309 121.223 0.324 0.000 1.963 72 L HA -0.424 nan 4.340 nan 0.000 0.220 72 L C 1.804 178.979 176.870 0.508 0.000 1.076 72 L CA 3.235 58.325 54.840 0.417 0.000 0.772 72 L CB -0.541 41.813 42.059 0.491 0.000 0.892 72 L HN -0.682 7.719 8.230 0.307 0.014 0.435 73 V N -0.543 119.681 119.914 0.517 0.000 2.236 73 V HA -0.514 nan 4.120 nan 0.000 0.255 73 V C 2.269 178.628 176.094 0.441 0.000 1.068 73 V CA 4.272 66.904 62.300 0.553 0.000 1.044 73 V CB -0.859 31.183 31.823 0.365 0.000 0.653 73 V HN -0.425 8.072 8.190 0.511 0.000 0.448 74 L N -5.079 116.315 121.223 0.286 0.000 2.549 74 L HA -0.283 nan 4.340 nan 0.000 0.229 74 L C 1.821 178.750 176.870 0.099 0.000 1.158 74 L CA 2.200 57.126 54.840 0.143 0.000 0.842 74 L CB -1.230 40.759 42.059 -0.117 0.000 0.952 74 L HN -0.364 8.039 8.230 0.289 0.000 0.452 75 H N 2.088 121.192 119.070 0.057 0.000 2.317 75 H HA -0.180 nan 4.556 nan 0.000 0.304 75 H C 2.514 177.788 175.328 -0.090 0.000 1.067 75 H CA 4.058 60.079 56.048 -0.045 0.000 1.352 75 H CB 0.229 29.932 29.762 -0.099 0.000 1.398 75 H HN 0.003 8.277 8.280 0.317 0.197 0.510 76 Y N -0.939 119.320 120.300 -0.068 0.000 2.497 76 Y HA -0.261 nan 4.550 nan 0.000 0.292 76 Y C 0.795 176.503 175.900 -0.320 0.000 1.137 76 Y CA 2.953 60.892 58.100 -0.268 0.000 1.285 76 Y CB -0.331 37.899 38.460 -0.384 0.000 0.991 76 Y HN 0.400 8.821 8.280 0.235 0.000 0.556 77 S N -5.379 110.310 115.700 -0.018 0.000 2.524 77 S HA -0.084 nan 4.470 nan 0.000 0.216 77 S C 1.247 175.842 174.600 -0.009 0.000 0.987 77 S CA 0.351 58.537 58.200 -0.023 0.000 0.909 77 S CB 1.169 64.333 63.200 -0.060 0.000 0.781 77 S HN -0.536 7.647 8.310 0.054 0.160 0.521 78 G N 0.575 109.340 108.800 -0.058 0.000 2.399 78 G HA2 -0.461 nan 3.960 nan 0.000 0.216 78 G HA3 -0.461 nan 3.960 nan 0.000 0.216 78 G C 0.862 175.749 174.900 -0.022 0.000 1.096 78 G CA 0.784 45.846 45.100 -0.064 0.000 0.650 78 G HN -0.329 7.729 8.290 -0.092 0.177 0.512 79 H N 2.881 121.948 119.070 -0.004 0.000 2.355 79 H HA -0.538 nan 4.556 nan 0.000 0.282 79 H C 2.112 177.420 175.328 -0.034 0.000 1.131 79 H CA 3.040 59.065 56.048 -0.038 0.000 1.158 79 H CB -0.089 29.519 29.762 -0.257 0.000 1.351 79 H HN -0.343 7.663 8.280 -0.298 0.095 0.469 80 E N -0.438 119.776 120.200 0.023 0.000 2.005 80 E HA -0.338 nan 4.350 nan 0.000 0.198 80 E C 0.984 177.614 176.600 0.050 0.000 1.010 80 E CA 2.362 58.758 56.400 -0.005 0.000 0.825 80 E CB -0.038 29.722 29.700 0.099 0.000 0.769 80 E HN 0.071 8.333 8.360 0.017 0.108 0.456 81 A N -1.486 121.351 122.820 0.029 0.000 1.842 81 A HA -0.155 nan 4.320 nan 0.000 0.217 81 A C 1.505 179.090 177.584 0.003 0.000 1.206 81 A CA 2.578 54.613 52.037 -0.002 0.000 0.630 81 A CB -0.163 18.799 19.000 -0.064 0.000 0.839 81 A HN -0.178 7.973 8.150 0.002 0.000 0.447 82 T N -6.524 108.029 114.554 -0.001 0.000 3.057 82 T HA 0.090 nan 4.350 nan 0.000 0.254 82 T C 0.195 174.952 174.700 0.094 0.000 1.094 82 T CA -0.205 61.896 62.100 0.003 0.000 1.088 82 T CB 0.703 69.477 68.868 -0.155 0.000 0.934 82 T HN -0.298 7.828 8.240 -0.018 0.103 0.497 83 F N 6.202 126.160 119.950 0.014 0.000 2.556 83 F HA -0.157 nan 4.527 nan 0.000 0.344 83 F C -2.301 173.488 175.800 -0.018 0.000 1.255 83 F CA -0.241 57.787 58.000 0.047 0.000 1.091 83 F CB -0.648 38.412 39.000 0.100 0.000 1.325 83 F HN -0.737 7.625 8.300 0.285 0.109 0.627 84 A N 6.247 128.936 122.820 -0.218 0.000 2.599 84 A HA 0.179 nan 4.320 nan 0.000 0.294 84 A C -2.292 175.189 177.584 -0.173 0.000 1.055 84 A CA -0.107 51.813 52.037 -0.194 0.000 0.683 84 A CB 3.465 22.466 19.000 0.002 0.000 1.278 84 A HN -0.175 7.862 8.150 -0.188 0.000 0.412 85 D N 0.451 120.769 120.400 -0.137 0.000 2.256 85 D HA 0.448 nan 4.640 nan 0.000 0.246 85 D C -1.928 174.330 176.300 -0.071 0.000 1.042 85 D CA -2.922 51.005 54.000 -0.121 0.000 0.841 85 D CB 2.394 43.158 40.800 -0.059 0.000 1.223 85 D HN -0.000 8.302 8.370 -0.113 0.000 0.470 86 P HA 0.272 nan 4.420 nan 0.000 0.271 86 P C -1.405 175.883 177.300 -0.020 0.000 1.233 86 P CA 0.307 63.295 63.100 -0.186 0.000 0.764 86 P CB 0.128 31.615 31.700 -0.356 0.000 0.825 87 M N 3.231 122.873 119.600 0.070 0.000 2.775 87 M HA 0.608 nan 4.480 nan 0.000 0.296 87 M C -2.195 174.182 176.300 0.129 0.000 1.248 87 M CA -1.006 54.343 55.300 0.081 0.000 0.800 87 M CB 3.699 36.322 32.600 0.040 0.000 1.765 87 M HN 0.828 9.081 8.290 0.117 0.107 0.472 88 V N -8.114 111.923 119.914 0.205 0.000 3.258 88 V HA 0.673 nan 4.120 nan 0.000 0.298 88 V C -2.270 174.121 176.094 0.495 0.000 1.489 88 V CA -1.188 61.346 62.300 0.390 0.000 1.062 88 V CB 3.752 35.877 31.823 0.504 0.000 1.116 88 V HN 0.053 8.356 8.190 0.187 0.000 0.464 89 D N -1.250 119.368 120.400 0.362 0.000 2.713 89 D HA 0.519 nan 4.640 nan 0.000 0.306 89 D C -2.414 173.276 176.300 -1.017 0.000 1.299 89 D CA -0.220 53.589 54.000 -0.318 0.000 0.823 89 D CB 3.036 43.718 40.800 -0.196 0.000 1.353 89 D HN 0.493 9.124 8.370 0.435 0.000 0.447 90 N N -2.550 115.568 118.700 -0.971 0.000 3.085 90 N HA 0.109 nan 4.740 nan 0.000 0.270 90 N C -1.124 174.130 175.510 -0.427 0.000 1.319 90 N CA 1.719 54.230 53.050 -0.898 0.000 1.379 90 N CB 1.472 39.029 38.487 -1.549 0.000 0.903 90 N HN 0.098 8.094 8.380 -0.639 0.000 1.080 91 A N -0.995 121.620 122.820 -0.342 0.000 2.498 91 A HA 0.182 nan 4.320 nan 0.000 0.238 91 A C -0.456 177.058 177.584 -0.115 0.000 1.225 91 A CA 0.459 52.389 52.037 -0.179 0.000 0.978 91 A CB 0.361 19.280 19.000 -0.134 0.000 1.142 91 A HN 0.541 8.447 8.150 -0.406 0.000 0.552 92 K N -1.383 118.954 120.400 -0.106 0.000 4.399 92 K HA 0.312 nan 4.320 nan 0.000 0.226 92 K C -0.395 176.180 176.600 -0.042 0.000 1.205 92 K CA -0.272 56.005 56.287 -0.017 0.000 1.822 92 K CB 0.661 33.214 32.500 0.088 0.000 2.605 92 K HN -0.157 7.990 8.250 -0.172 0.000 0.531 93 A N -0.519 122.303 122.820 0.002 0.000 2.858 93 A HA 0.294 nan 4.320 nan 0.000 0.232 93 A C -1.916 175.344 177.584 -0.540 0.000 1.258 93 A CA -1.488 50.388 52.037 -0.268 0.000 0.909 93 A CB 1.856 20.665 19.000 -0.319 0.000 1.491 93 A HN -0.029 8.273 8.150 0.253 0.000 0.472 94 R N -1.701 118.369 120.500 -0.716 0.000 2.255 94 R HA 0.632 nan 4.340 nan 0.000 0.326 94 R C -1.042 174.790 176.300 -0.780 0.000 0.986 94 R CA -0.958 54.811 56.100 -0.551 0.000 0.847 94 R CB 0.114 30.196 30.300 -0.363 0.000 1.111 94 R HN 0.071 7.958 8.270 -0.638 0.000 0.452 160 T N 2.440 117.135 114.554 0.234 0.000 2.856 160 T HA 0.076 nan 4.350 nan 0.000 0.329 160 T C -0.433 174.422 174.700 0.258 0.000 1.094 160 T CA -1.102 61.111 62.100 0.190 0.000 1.112 160 T CB -0.559 68.372 68.868 0.105 0.000 1.009 160 T HN 0.240 8.402 8.240 0.026 0.093 0.550 161 P HA 0.324 nan 4.420 nan 0.000 0.274 161 P C -1.736 175.648 177.300 0.139 0.000 1.231 161 P CA -1.894 61.286 63.100 0.134 0.000 0.790 161 P CB -1.155 30.602 31.700 0.095 0.000 0.951 162 P HA 0.302 nan 4.420 nan 0.000 0.271 162 P C -1.559 175.832 177.300 0.152 0.000 1.233 162 P CA 0.315 63.491 63.100 0.126 0.000 0.789 162 P CB 0.502 32.259 31.700 0.095 0.000 0.951 163 R N -1.988 118.627 120.500 0.193 0.000 2.979 163 R HA 0.064 nan 4.340 nan 0.000 0.245 163 R C -2.405 174.090 176.300 0.325 0.000 1.104 163 R CA -0.554 55.694 56.100 0.246 0.000 1.056 163 R CB 0.097 30.500 30.300 0.172 0.000 1.265 163 R HN -0.014 8.358 8.270 0.170 0.000 0.470 164 Y N 2.591 122.930 120.300 0.065 0.000 2.511 164 Y HA 0.187 nan 4.550 nan 0.000 0.332 164 Y C -0.676 175.293 175.900 0.116 0.000 1.177 164 Y CA -0.666 57.471 58.100 0.061 0.000 1.422 164 Y CB -0.209 38.258 38.460 0.011 0.000 1.271 164 Y HN 0.254 8.907 8.280 0.621 0.000 0.550 165 F N 5.886 125.898 119.950 0.104 0.000 2.411 165 F HA 0.262 nan 4.527 nan 0.000 0.352 165 F C -1.906 173.914 175.800 0.033 0.000 1.123 165 F CA -1.923 56.110 58.000 0.056 0.000 1.044 165 F CB 2.582 41.591 39.000 0.015 0.000 1.135 165 F HN 0.933 9.271 8.300 0.286 0.133 0.461 166 N N 7.894 126.207 118.700 -0.645 0.000 2.492 166 N HA -0.002 nan 4.740 nan 0.000 0.260 166 N C -0.319 174.510 175.510 -1.135 0.000 1.215 166 N CA 0.930 53.625 53.050 -0.591 0.000 0.923 166 N CB 0.844 39.186 38.487 -0.243 0.000 1.092 166 N HN 0.552 8.722 8.380 -0.350 0.000 0.448 167 M N 1.418 120.684 119.600 -0.557 0.000 2.414 167 M HA 0.087 nan 4.480 nan 0.000 0.251 167 M C -0.163 176.016 176.300 -0.202 0.000 1.116 167 M CA 0.979 56.037 55.300 -0.403 0.000 1.056 167 M CB 0.997 33.453 32.600 -0.240 0.000 1.388 167 M HN -0.050 8.085 8.290 -0.259 0.000 0.487 168 M N -0.539 119.027 119.600 -0.057 0.000 2.243 168 M HA -0.108 nan 4.480 nan 0.000 0.341 168 M C -0.316 175.961 176.300 -0.039 0.000 1.130 168 M CA 1.027 56.301 55.300 -0.044 0.000 1.162 168 M CB 0.538 33.099 32.600 -0.065 0.000 1.497 168 M HN -0.844 7.673 8.290 -0.021 -0.239 0.456 169 F N 1.580 121.623 119.950 0.156 0.000 2.382 169 F HA 0.074 nan 4.527 nan 0.000 0.331 169 F C -0.281 175.596 175.800 0.127 0.000 1.121 169 F CA 0.723 58.788 58.000 0.108 0.000 1.183 169 F CB 0.948 39.962 39.000 0.022 0.000 1.207 169 F HN 0.384 8.828 8.300 0.240 0.000 0.555 170 Q N 1.155 121.094 119.800 0.232 0.000 2.458 170 Q HA 0.568 nan 4.340 nan 0.000 0.282 170 Q C -1.629 174.352 176.000 -0.031 0.000 1.106 170 Q CA -1.156 54.654 55.803 0.011 0.000 0.814 170 Q CB 3.592 32.311 28.738 -0.031 0.000 1.425 170 Q HN 0.052 8.486 8.270 0.273 0.000 0.437 171 D N -0.723 119.602 120.400 -0.124 0.000 2.738 171 D HA 0.055 nan 4.640 nan 0.000 0.229 171 D C -2.614 173.605 176.300 -0.135 0.000 1.200 171 D CA 0.290 54.227 54.000 -0.105 0.000 0.746 171 D CB 2.179 42.919 40.800 -0.100 0.000 1.597 171 D HN -0.033 8.206 8.370 -0.218 0.000 0.471 172 L N 0.123 121.282 121.223 -0.107 0.000 2.313 172 L HA 0.635 nan 4.340 nan 0.000 0.268 172 L C -0.882 175.940 176.870 -0.080 0.000 1.010 172 L CA -1.333 53.444 54.840 -0.106 0.000 0.814 172 L CB 2.661 44.662 42.059 -0.097 0.000 1.304 172 L HN -0.009 8.169 8.230 -0.087 0.000 0.441 173 R N 1.573 122.029 120.500 -0.073 0.000 2.351 173 R HA -0.051 nan 4.340 nan 0.000 0.321 173 R C 0.682 176.958 176.300 -0.041 0.000 1.182 173 R CA -0.549 55.520 56.100 -0.051 0.000 1.011 173 R CB -1.206 29.070 30.300 -0.040 0.000 1.048 173 R HN 0.430 8.536 8.270 -0.083 0.114 0.490 174 G N 8.081 116.858 108.800 -0.038 0.000 2.596 174 G HA2 -0.440 nan 3.960 nan 0.000 0.421 174 G HA3 -0.440 nan 3.960 nan 0.000 0.421 174 G C -1.755 173.127 174.900 -0.030 0.000 1.364 174 G CA 0.011 45.091 45.100 -0.032 0.000 0.954 174 G HN -0.263 8.002 8.290 -0.042 0.000 0.524 175 P HA -0.388 nan 4.420 nan 0.000 0.276 175 P C -0.500 176.786 177.300 -0.023 0.000 0.812 175 P CA 1.674 64.761 63.100 -0.021 0.000 1.000 175 P CB 0.075 31.763 31.700 -0.019 0.000 0.900 176 R N -0.776 119.709 120.500 -0.025 0.000 1.961 176 R HA 0.308 nan 4.340 nan 0.000 0.114 176 R C -0.211 176.069 176.300 -0.034 0.000 1.571 176 R CA -0.165 55.919 56.100 -0.027 0.000 1.654 176 R CB 1.769 32.055 30.300 -0.024 0.000 1.262 176 R HN 0.368 8.622 8.270 -0.026 0.000 0.547 177 G N -1.588 107.190 108.800 -0.037 0.000 5.482 177 G HA2 0.149 nan 3.960 nan 0.000 0.208 177 G HA3 0.149 nan 3.960 nan 0.000 0.208 177 G C -1.351 173.519 174.900 -0.050 0.000 0.756 177 G CA -0.148 44.924 45.100 -0.046 0.000 0.682 177 G HN 0.030 8.300 8.290 -0.033 0.000 0.405 178 G N -0.371 108.400 108.800 -0.048 0.000 2.432 178 G HA2 -0.064 nan 3.960 nan 0.000 0.239 178 G HA3 -0.064 nan 3.960 nan 0.000 0.239 178 G C 0.762 175.622 174.900 -0.068 0.000 1.291 178 G CA -0.907 44.164 45.100 -0.048 0.000 0.863 178 G HN -0.231 8.032 8.290 -0.044 0.000 0.560 179 R N 3.570 124.031 120.500 -0.066 0.000 2.249 179 R HA -0.223 nan 4.340 nan 0.000 0.230 179 R C 2.243 178.482 176.300 -0.102 0.000 1.121 179 R CA 2.263 58.312 56.100 -0.086 0.000 0.997 179 R CB -0.314 29.946 30.300 -0.067 0.000 0.867 179 R HN 0.611 8.849 8.270 -0.052 0.000 0.465 180 G N -3.137 105.617 108.800 -0.078 0.000 2.403 180 G HA2 -0.132 nan 3.960 nan 0.000 0.216 180 G HA3 -0.132 nan 3.960 nan 0.000 0.216 180 G C -0.043 174.801 174.900 -0.093 0.000 1.154 180 G CA 1.222 46.279 45.100 -0.071 0.000 0.784 180 G HN -0.043 8.154 8.290 -0.061 0.057 0.538 181 L N -4.418 116.751 121.223 -0.091 0.000 2.783 181 L HA 0.453 nan 4.340 nan 0.000 0.236 181 L C -1.460 175.325 176.870 -0.142 0.000 1.225 181 L CA -1.730 53.052 54.840 -0.096 0.000 1.026 181 L CB -1.371 40.651 42.059 -0.061 0.000 1.314 181 L HN -0.447 7.617 8.230 -0.080 0.117 0.489 182 L N 1.484 122.587 121.223 -0.200 0.000 2.349 182 L HA 0.509 nan 4.340 nan 0.000 0.275 182 L C -1.845 174.822 176.870 -0.340 0.000 1.115 182 L CA -0.389 54.286 54.840 -0.276 0.000 0.820 182 L CB 1.686 43.556 42.059 -0.316 0.000 1.135 182 L HN -0.864 7.146 8.230 -0.197 0.101 0.445 183 A N 4.728 127.343 122.820 -0.341 0.000 2.454 183 A HA 0.730 nan 4.320 nan 0.000 0.302 183 A C -2.416 174.987 177.584 -0.303 0.000 1.079 183 A CA -1.284 50.600 52.037 -0.255 0.000 0.731 183 A CB 3.508 22.431 19.000 -0.129 0.000 1.299 183 A HN 0.794 8.749 8.150 -0.325 0.000 0.413 184 Y N -2.428 117.859 120.300 -0.022 0.000 2.509 184 Y HA 0.484 nan 4.550 nan 0.000 0.341 184 Y C -0.953 174.953 175.900 0.009 0.000 1.038 184 Y CA -2.019 56.083 58.100 0.005 0.000 1.089 184 Y CB 3.942 42.413 38.460 0.017 0.000 1.241 184 Y HN 0.686 9.037 8.280 0.118 0.000 0.468 185 L N 1.777 123.131 121.223 0.217 0.000 2.265 185 L HA 0.343 nan 4.340 nan 0.000 0.288 185 L C -0.657 176.347 176.870 0.223 0.000 1.058 185 L CA -0.989 53.923 54.840 0.120 0.000 0.809 185 L CB 0.102 42.110 42.059 -0.085 0.000 1.179 185 L HN -0.209 8.199 8.230 0.295 0.000 0.429 186 R N 3.912 124.530 120.500 0.198 0.000 2.485 186 R HA -0.173 nan 4.340 nan 0.000 0.304 186 R C -0.763 175.563 176.300 0.044 0.000 0.934 186 R CA -0.055 56.108 56.100 0.105 0.000 1.102 186 R CB -0.904 29.454 30.300 0.096 0.000 0.906 186 R HN 0.519 8.796 8.270 0.192 0.108 0.407 187 P HA -0.104 nan 4.420 nan 0.000 0.222 187 P C -1.448 175.757 177.300 -0.159 0.000 1.153 187 P CA 1.608 64.528 63.100 -0.300 0.000 0.798 187 P CB 0.041 31.132 31.700 -1.015 0.000 0.796 188 E N -6.813 113.321 120.200 -0.110 0.000 2.392 188 E HA 0.339 nan 4.350 nan 0.000 0.279 188 E C -0.313 176.312 176.600 0.043 0.000 0.964 188 E CA -1.251 55.171 56.400 0.036 0.000 0.777 188 E CB 2.471 32.234 29.700 0.106 0.000 1.249 188 E HN -0.810 7.435 8.360 -0.135 0.035 0.449 189 T N -4.537 110.045 114.554 0.047 0.000 2.995 189 T HA 0.002 nan 4.350 nan 0.000 0.269 189 T C 1.235 175.918 174.700 -0.028 0.000 1.091 189 T CA 2.316 64.425 62.100 0.014 0.000 1.128 189 T CB -0.352 68.519 68.868 0.005 0.000 0.891 189 T HN 0.442 8.799 8.240 0.071 -0.074 0.492 190 A N 1.772 124.587 122.820 -0.008 0.000 1.958 190 A HA -0.380 nan 4.320 nan 0.000 0.221 190 A C 1.917 179.238 177.584 -0.439 0.000 1.178 190 A CA 3.061 55.002 52.037 -0.160 0.000 0.642 190 A CB -1.136 17.976 19.000 0.186 0.000 0.816 190 A HN 0.095 8.423 8.150 0.066 -0.139 0.453 191 Q N -2.195 117.610 119.800 0.008 0.000 2.061 191 Q HA -0.328 nan 4.340 nan 0.000 0.204 191 Q C 2.674 178.627 176.000 -0.078 0.000 0.984 191 Q CA 2.423 58.299 55.803 0.121 0.000 0.846 191 Q CB -0.633 28.236 28.738 0.219 0.000 0.902 191 Q HN -0.298 8.019 8.270 0.113 0.021 0.421 192 G N -2.750 106.003 108.800 -0.079 0.000 2.479 192 G HA2 -0.212 nan 3.960 nan 0.000 0.220 192 G HA3 -0.212 nan 3.960 nan 0.000 0.220 192 G C 0.614 175.451 174.900 -0.104 0.000 1.115 192 G CA 1.504 46.566 45.100 -0.063 0.000 0.757 192 G HN -0.382 7.882 8.290 -0.043 0.000 0.560 193 I N 0.676 121.093 120.570 -0.255 0.000 2.188 193 I HA -0.332 nan 4.170 nan 0.000 0.237 193 I C 2.050 178.112 176.117 -0.092 0.000 1.073 193 I CA 3.076 64.253 61.300 -0.206 0.000 1.359 193 I CB -0.197 37.582 38.000 -0.369 0.000 1.083 193 I HN -0.712 7.121 8.210 -0.378 0.149 0.412 194 F N -0.810 119.230 119.950 0.150 0.000 2.045 194 F HA -0.396 nan 4.527 nan 0.000 0.297 194 F C 2.717 178.494 175.800 -0.039 0.000 1.114 194 F CA 3.221 61.261 58.000 0.065 0.000 1.207 194 F CB -1.813 37.183 39.000 -0.007 0.000 0.964 194 F HN -0.557 6.897 8.300 -1.410 0.000 0.486 195 V N -6.078 113.829 119.914 -0.011 0.000 2.828 195 V HA -0.299 nan 4.120 nan 0.000 0.260 195 V C 0.828 176.922 176.094 -0.000 0.000 1.101 195 V CA 2.720 64.956 62.300 -0.106 0.000 1.123 195 V CB -1.512 30.192 31.823 -0.197 0.000 0.704 195 V HN -0.029 8.134 8.190 -0.044 0.000 0.493 196 N N -1.592 117.133 118.700 0.042 0.000 2.236 196 N HA 0.211 nan 4.740 nan 0.000 0.196 196 N C 0.744 176.300 175.510 0.077 0.000 1.114 196 N CA 0.806 53.885 53.050 0.049 0.000 0.859 196 N CB 1.781 40.288 38.487 0.033 0.000 0.982 196 N HN -0.206 8.009 8.380 0.043 0.191 0.493 197 F N 3.075 122.999 119.950 -0.043 0.000 2.037 197 F HA -0.596 nan 4.527 nan 0.000 0.296 197 F C 0.815 176.582 175.800 -0.055 0.000 1.132 197 F CA 5.190 63.124 58.000 -0.110 0.000 1.211 197 F CB -0.069 38.780 39.000 -0.251 0.000 0.951 197 F HN 0.111 8.376 8.300 0.235 0.176 0.503 198 K N -1.870 118.593 120.400 0.105 0.000 2.044 198 K HA -0.481 nan 4.320 nan 0.000 0.210 198 K C 2.029 178.589 176.600 -0.067 0.000 1.049 198 K CA 3.416 59.710 56.287 0.012 0.000 0.927 198 K CB -0.879 31.668 32.500 0.079 0.000 0.713 198 K HN 0.468 8.877 8.250 0.264 0.000 0.443 199 N N -1.711 116.969 118.700 -0.033 0.000 2.104 199 N HA -0.309 nan 4.740 nan 0.000 0.190 199 N C 2.531 178.002 175.510 -0.066 0.000 1.024 199 N CA 3.208 56.236 53.050 -0.036 0.000 0.853 199 N CB -0.248 38.232 38.487 -0.011 0.000 1.008 199 N HN -0.689 7.692 8.380 0.001 0.000 0.424 200 V N 1.310 121.172 119.914 -0.088 0.000 2.307 200 V HA -0.288 nan 4.120 nan 0.000 0.245 200 V C 1.840 177.821 176.094 -0.189 0.000 1.045 200 V CA 4.129 66.371 62.300 -0.096 0.000 1.024 200 V CB -0.608 31.190 31.823 -0.043 0.000 0.651 200 V HN 0.111 8.251 8.190 -0.083 0.000 0.449 201 L N -0.652 120.384 121.223 -0.311 0.000 2.013 201 L HA -0.514 nan 4.340 nan 0.000 0.212 201 L C 1.647 178.387 176.870 -0.217 0.000 1.073 201 L CA 3.823 58.437 54.840 -0.376 0.000 0.753 201 L CB -0.322 41.456 42.059 -0.469 0.000 0.890 201 L HN 0.219 8.232 8.230 -0.362 0.000 0.432 202 D N -0.055 120.259 120.400 -0.142 0.000 2.084 202 D HA -0.320 nan 4.640 nan 0.000 0.194 202 D C 2.051 178.302 176.300 -0.081 0.000 0.990 202 D CA 3.159 57.110 54.000 -0.083 0.000 0.826 202 D CB -0.638 40.133 40.800 -0.048 0.000 0.971 202 D HN 0.255 8.431 8.370 -0.144 0.107 0.453 203 A N -1.890 120.883 122.820 -0.079 0.000 1.978 203 A HA -0.186 nan 4.320 nan 0.000 0.220 203 A C 1.560 179.098 177.584 -0.078 0.000 1.170 203 A CA 2.390 54.389 52.037 -0.063 0.000 0.636 203 A CB 0.102 19.074 19.000 -0.047 0.000 0.810 203 A HN -0.344 7.757 8.150 -0.082 0.000 0.448 204 T N -7.719 106.763 114.554 -0.120 0.000 3.015 204 T HA 0.150 nan 4.350 nan 0.000 0.250 204 T C 0.500 175.105 174.700 -0.160 0.000 1.057 204 T CA -0.601 61.414 62.100 -0.142 0.000 1.066 204 T CB 0.760 69.512 68.868 -0.192 0.000 0.959 204 T HN -0.270 7.760 8.240 -0.146 0.122 0.488 205 S N 0.073 115.674 115.700 -0.164 0.000 3.682 205 S HA -0.513 nan 4.470 nan 0.000 0.354 205 S C -0.153 174.338 174.600 -0.181 0.000 1.034 205 S CA 0.552 58.671 58.200 -0.135 0.000 1.084 205 S CB -1.077 62.074 63.200 -0.081 0.000 0.903 205 S HN 0.281 8.398 8.310 -0.161 0.096 0.470 206 R N 1.097 121.389 120.500 -0.346 0.000 2.734 206 R HA -0.185 nan 4.340 nan 0.000 0.266 206 R C -0.503 175.600 176.300 -0.329 0.000 1.044 206 R CA 0.215 55.994 56.100 -0.535 0.000 1.128 206 R CB 0.459 29.966 30.300 -1.322 0.000 1.010 206 R HN -0.773 7.249 8.270 -0.394 0.012 0.461 207 K N 0.876 121.132 120.400 -0.241 0.000 2.166 207 K HA 0.185 nan 4.320 nan 0.000 0.245 207 K C 0.034 176.567 176.600 -0.112 0.000 0.967 207 K CA -1.748 54.514 56.287 -0.043 0.000 0.863 207 K CB 0.982 33.507 32.500 0.042 0.000 1.107 207 K HN 0.112 8.201 8.250 -0.269 0.000 0.436 208 L N 0.837 121.944 121.223 -0.193 0.000 1.963 208 L HA -0.271 nan 4.340 nan 0.000 0.220 208 L C 0.611 177.468 176.870 -0.021 0.000 1.076 208 L CA 2.627 57.362 54.840 -0.173 0.000 0.772 208 L CB 0.138 42.058 42.059 -0.230 0.000 0.892 208 L HN 0.032 8.225 8.230 -0.062 0.000 0.435 209 G N -4.611 104.172 108.800 -0.028 0.000 2.515 209 G HA2 -0.235 nan 3.960 nan 0.000 0.290 209 G HA3 -0.235 nan 3.960 nan 0.000 0.290 209 G C -1.366 173.428 174.900 -0.176 0.000 0.795 209 G CA 0.224 45.209 45.100 -0.192 0.000 1.866 209 G HN -0.203 8.109 8.290 0.038 0.000 0.476 210 F N 3.435 123.032 119.950 -0.588 0.000 2.688 210 F HA 0.356 nan 4.527 nan 0.000 0.308 210 F C -2.604 172.950 175.800 -0.410 0.000 1.117 210 F CA -1.402 56.380 58.000 -0.362 0.000 0.976 210 F CB 2.363 41.263 39.000 -0.166 0.000 1.291 210 F HN -0.053 7.819 8.300 -0.719 -0.003 0.439 211 G N 0.045 108.690 108.800 -0.258 0.000 2.816 211 G HA2 0.706 nan 3.960 nan 0.000 0.288 211 G HA3 0.706 nan 3.960 nan 0.000 0.288 211 G C -2.765 172.091 174.900 -0.073 0.000 1.334 211 G CA -2.017 42.862 45.100 -0.368 0.000 0.978 211 G HN 0.472 8.875 8.290 0.189 0.000 0.493 212 I N -0.230 120.236 120.570 -0.174 0.000 2.493 212 I HA 0.232 nan 4.170 nan 0.000 0.279 212 I C -1.515 174.540 176.117 -0.103 0.000 1.045 212 I CA -0.839 60.468 61.300 0.012 0.000 1.106 212 I CB 2.253 40.387 38.000 0.223 0.000 1.216 212 I HN -0.110 7.736 8.210 -0.430 0.106 0.459 213 A N 8.127 130.848 122.820 -0.165 0.000 2.304 213 A HA 0.607 nan 4.320 nan 0.000 0.271 213 A C -2.463 175.078 177.584 -0.072 0.000 1.091 213 A CA -1.304 50.639 52.037 -0.158 0.000 0.812 213 A CB 1.755 20.523 19.000 -0.387 0.000 1.056 213 A HN 0.240 8.273 8.150 -0.194 0.000 0.489 214 Q N -1.001 118.873 119.800 0.123 0.000 2.430 214 Q HA 0.377 nan 4.340 nan 0.000 0.253 214 Q C -2.297 173.835 176.000 0.220 0.000 0.945 214 Q CA -0.156 55.799 55.803 0.254 0.000 0.964 214 Q CB 4.041 32.863 28.738 0.141 0.000 1.460 214 Q HN 0.605 9.009 8.270 0.223 0.000 0.428 215 I N 5.007 125.791 120.570 0.356 0.000 2.498 215 I HA 0.577 nan 4.170 nan 0.000 0.301 215 I C -1.041 175.101 176.117 0.042 0.000 0.984 215 I CA -1.605 59.733 61.300 0.064 0.000 1.204 215 I CB 1.705 39.739 38.000 0.056 0.000 1.362 215 I HN 0.609 9.241 8.210 0.704 0.000 0.471 216 G N 2.536 111.322 108.800 -0.023 0.000 2.466 216 G HA2 0.133 nan 3.960 nan 0.000 0.291 216 G HA3 0.133 nan 3.960 nan 0.000 0.291 216 G C -2.495 172.368 174.900 -0.063 0.000 1.460 216 G CA -0.446 44.640 45.100 -0.023 0.000 0.791 216 G HN -0.523 7.733 8.290 -0.057 0.000 0.505 217 K N -0.509 119.836 120.400 -0.092 0.000 2.219 217 K HA 0.510 nan 4.320 nan 0.000 0.258 217 K C -1.257 175.141 176.600 -0.337 0.000 1.008 217 K CA -0.307 55.828 56.287 -0.254 0.000 0.928 217 K CB 1.233 33.588 32.500 -0.242 0.000 0.983 217 K HN 0.312 8.535 8.250 -0.045 0.000 0.484 218 A N 0.736 123.126 122.820 -0.717 0.000 2.456 218 A HA 0.533 nan 4.320 nan 0.000 0.288 218 A C -2.419 174.463 177.584 -1.169 0.000 1.042 218 A CA -0.162 51.483 52.037 -0.653 0.000 0.738 218 A CB 2.761 21.545 19.000 -0.360 0.000 1.266 218 A HN 0.940 8.428 8.150 -0.965 0.083 0.407 219 F N 2.961 122.731 119.950 -0.300 0.000 2.450 219 F HA 0.643 nan 4.527 nan 0.000 0.332 219 F C -0.715 175.126 175.800 0.068 0.000 1.093 219 F CA -1.395 56.560 58.000 -0.075 0.000 1.003 219 F CB 3.073 42.184 39.000 0.186 0.000 1.151 219 F HN 0.497 8.843 8.300 0.077 0.000 0.474 220 R N 1.727 122.446 120.500 0.365 0.000 2.585 220 R HA 0.126 nan 4.340 nan 0.000 0.288 220 R C -1.080 175.311 176.300 0.151 0.000 1.194 220 R CA -0.233 56.022 56.100 0.259 0.000 1.006 220 R CB 3.307 33.867 30.300 0.433 0.000 1.229 220 R HN 0.813 9.265 8.270 0.501 0.118 0.412 221 N N 7.250 125.761 118.700 -0.315 0.000 3.105 221 N HA -0.155 nan 4.740 nan 0.000 0.309 221 N C -0.577 174.981 175.510 0.080 0.000 1.291 221 N CA -0.296 52.573 53.050 -0.303 0.000 1.153 221 N CB -0.354 37.691 38.487 -0.736 0.000 1.447 221 N HN 0.521 8.621 8.380 -0.468 0.000 0.555 222 E N 1.312 121.597 120.200 0.141 0.000 2.568 222 E HA -0.261 nan 4.350 nan 0.000 0.262 222 E C 0.287 176.956 176.600 0.115 0.000 0.961 222 E CA 1.187 57.666 56.400 0.131 0.000 0.945 222 E CB 0.173 29.943 29.700 0.116 0.000 0.924 222 E HN -0.477 7.922 8.360 0.183 0.071 0.467 223 I N 2.888 123.506 120.570 0.081 0.000 2.353 223 I HA -0.145 nan 4.170 nan 0.000 0.248 223 I C -0.263 175.842 176.117 -0.021 0.000 1.119 223 I CA 1.947 63.231 61.300 -0.028 0.000 1.417 223 I CB -0.261 37.680 38.000 -0.099 0.000 1.078 223 I HN 0.436 8.706 8.210 0.101 0.000 0.421 224 T N -4.733 109.833 114.554 0.021 0.000 2.963 224 T HA 0.471 nan 4.350 nan 0.000 0.328 224 T C -2.801 171.926 174.700 0.046 0.000 1.048 224 T CA -3.385 58.740 62.100 0.041 0.000 1.033 224 T CB 1.442 70.355 68.868 0.075 0.000 1.010 224 T HN -0.352 7.906 8.240 0.030 0.000 0.469 225 P HA 0.156 nan 4.420 nan 0.000 0.280 225 P C -0.801 176.536 177.300 0.061 0.000 1.300 225 P CA -0.541 62.607 63.100 0.080 0.000 0.785 225 P CB 0.412 32.197 31.700 0.140 0.000 0.874 226 R N 3.452 123.949 120.500 -0.005 0.000 2.738 226 R HA -0.059 nan 4.340 nan 0.000 0.275 226 R C -0.188 176.113 176.300 0.003 0.000 1.121 226 R CA 0.044 56.125 56.100 -0.032 0.000 1.207 226 R CB 1.114 31.337 30.300 -0.129 0.000 1.141 226 R HN 0.138 8.380 8.270 -0.046 0.000 0.571 227 N N -0.831 117.859 118.700 -0.017 0.000 1.792 227 N HA -0.356 nan 4.740 nan 0.000 0.321 227 N C 0.080 175.672 175.510 0.138 0.000 1.314 227 N CA 0.972 54.041 53.050 0.032 0.000 0.814 227 N CB -1.222 37.220 38.487 -0.074 0.000 1.073 227 N HN 0.172 8.521 8.380 -0.052 0.000 0.503 228 F N 2.473 122.402 119.950 -0.035 0.000 2.697 228 F HA -0.496 nan 4.527 nan 0.000 0.250 228 F C 0.349 175.961 175.800 -0.313 0.000 1.066 228 F CA 1.964 59.868 58.000 -0.161 0.000 1.366 228 F CB -0.791 38.114 39.000 -0.158 0.000 2.184 228 F HN 0.372 8.820 8.300 0.246 0.000 0.407 229 I N 0.395 120.454 120.570 -0.852 0.000 2.756 229 I HA -0.225 nan 4.170 nan 0.000 0.262 229 I C 1.464 177.437 176.117 -0.240 0.000 1.225 229 I CA 0.644 61.467 61.300 -0.796 0.000 1.472 229 I CB -0.798 36.547 38.000 -1.091 0.000 1.094 229 I HN 0.035 7.440 8.210 -1.342 0.000 0.454 230 F N 0.485 120.244 119.950 -0.319 0.000 2.046 230 F HA -0.340 nan 4.527 nan 0.000 0.297 230 F C -0.284 175.447 175.800 -0.115 0.000 1.123 230 F CA 1.383 59.259 58.000 -0.206 0.000 1.199 230 F CB 0.434 39.344 39.000 -0.150 0.000 0.972 230 F HN -0.821 7.412 8.300 -0.025 0.052 0.474 231 R N -1.024 119.395 120.500 -0.135 0.000 2.396 231 R HA 0.185 nan 4.340 nan 0.000 0.292 231 R C -1.746 174.581 176.300 0.045 0.000 1.240 231 R CA -1.229 54.770 56.100 -0.168 0.000 1.270 231 R CB -0.060 30.078 30.300 -0.271 0.000 1.108 231 R HN -0.636 7.605 8.270 -0.050 0.000 0.573 232 V N -1.605 118.402 119.914 0.156 0.000 3.096 232 V HA 0.442 nan 4.120 nan 0.000 0.319 232 V C -0.378 175.977 176.094 0.435 0.000 1.103 232 V CA -2.620 59.865 62.300 0.309 0.000 1.016 232 V CB 2.285 34.321 31.823 0.355 0.000 1.090 232 V HN -0.110 8.148 8.190 0.114 0.000 0.449 233 R N -2.200 118.539 120.500 0.397 0.000 2.246 233 R HA 0.093 nan 4.340 nan 0.000 0.199 233 R C 0.146 176.678 176.300 0.386 0.000 0.984 233 R CA 1.623 57.994 56.100 0.450 0.000 1.015 233 R CB 1.133 31.738 30.300 0.509 0.000 0.930 233 R HN 0.730 9.087 8.270 0.358 0.128 0.475 234 E N -0.934 119.420 120.200 0.258 0.000 2.241 234 E HA 0.532 nan 4.350 nan 0.000 0.263 234 E C -1.873 174.729 176.600 0.003 0.000 0.882 234 E CA -0.774 55.611 56.400 -0.026 0.000 0.769 234 E CB 2.944 32.709 29.700 0.109 0.000 1.185 234 E HN -0.932 7.590 8.360 0.332 0.038 0.415 235 F N 1.749 121.609 119.950 -0.150 0.000 2.831 235 F HA 0.810 nan 4.527 nan 0.000 0.318 235 F C -2.909 172.781 175.800 -0.183 0.000 1.174 235 F CA -1.676 56.272 58.000 -0.087 0.000 0.918 235 F CB 2.314 41.312 39.000 -0.004 0.000 1.364 235 F HN 0.428 8.079 8.300 -1.083 0.000 0.475 236 E N -3.205 117.119 120.200 0.207 0.000 2.393 236 E HA 0.869 nan 4.350 nan 0.000 0.273 236 E C -1.737 174.949 176.600 0.144 0.000 0.918 236 E CA -1.654 54.785 56.400 0.065 0.000 0.773 236 E CB 3.702 33.370 29.700 -0.053 0.000 1.275 236 E HN 0.129 8.921 8.360 0.287 -0.259 0.451 237 Q N -2.289 117.544 119.800 0.054 0.000 2.320 237 Q HA 0.611 nan 4.340 nan 0.000 0.272 237 Q C -0.275 175.626 176.000 -0.166 0.000 1.023 237 Q CA -1.205 54.588 55.803 -0.016 0.000 0.855 237 Q CB 3.849 32.642 28.738 0.091 0.000 1.367 237 Q HN 0.792 9.070 8.270 0.014 0.000 0.406 238 M N 0.835 120.182 119.600 -0.421 0.000 2.143 238 M HA 0.271 nan 4.480 nan 0.000 0.348 238 M C -0.873 175.118 176.300 -0.516 0.000 1.375 238 M CA 0.180 54.986 55.300 -0.825 0.000 1.124 238 M CB -0.243 31.082 32.600 -2.125 0.000 1.669 238 M HN 0.120 8.161 8.290 -0.416 0.000 0.469 239 E N 4.149 124.248 120.200 -0.168 0.000 2.221 239 E HA 0.735 nan 4.350 nan 0.000 0.268 239 E C -1.971 174.687 176.600 0.098 0.000 0.933 239 E CA -1.335 55.072 56.400 0.013 0.000 0.809 239 E CB 4.060 33.760 29.700 0.000 0.000 1.190 239 E HN 0.830 9.013 8.360 -0.136 0.096 0.406 240 I N 0.908 121.476 120.570 -0.003 0.000 2.545 240 I HA 0.169 nan 4.170 nan 0.000 0.292 240 I C -1.143 174.790 176.117 -0.306 0.000 1.040 240 I CA -1.287 59.902 61.300 -0.185 0.000 1.068 240 I CB 3.002 40.760 38.000 -0.404 0.000 1.251 240 I HN -0.206 7.992 8.210 -0.019 0.000 0.424 241 E N 6.035 125.981 120.200 -0.423 0.000 2.489 241 E HA 0.254 nan 4.350 nan 0.000 0.232 241 E C -1.403 174.539 176.600 -1.096 0.000 0.990 241 E CA -2.136 53.883 56.400 -0.634 0.000 0.768 241 E CB 0.077 29.432 29.700 -0.574 0.000 1.270 241 E HN -0.001 8.123 8.360 -0.395 0.000 0.423 242 Y N 6.200 125.968 120.300 -0.887 0.000 2.624 242 Y HA -0.066 nan 4.550 nan 0.000 0.354 242 Y C -1.778 173.720 175.900 -0.670 0.000 1.051 242 Y CA -0.817 56.828 58.100 -0.758 0.000 1.377 242 Y CB -0.114 37.997 38.460 -0.582 0.000 1.168 242 Y HN -0.038 7.949 8.280 -0.489 0.000 0.525 243 F N 7.562 127.098 119.950 -0.691 0.000 2.438 243 F HA 0.186 nan 4.527 nan 0.000 0.360 243 F C -1.541 173.923 175.800 -0.559 0.000 1.118 243 F CA -0.521 57.161 58.000 -0.529 0.000 1.164 243 F CB -1.107 37.590 39.000 -0.505 0.000 1.131 243 F HN 0.141 7.709 8.300 -1.220 0.000 0.527 244 V N 3.958 123.797 119.914 -0.124 0.000 3.001 244 V HA 0.440 nan 4.120 nan 0.000 0.314 244 V C -2.038 174.178 176.094 0.203 0.000 1.099 244 V CA -3.187 59.052 62.300 -0.102 0.000 0.989 244 V CB 4.992 36.665 31.823 -0.250 0.000 1.040 244 V HN 0.605 8.708 8.190 0.033 0.107 0.434 245 R N 4.437 125.091 120.500 0.257 0.000 2.623 245 R HA 0.010 nan 4.340 nan 0.000 0.271 245 R C -0.826 175.574 176.300 0.165 0.000 1.043 245 R CA -0.067 56.236 56.100 0.338 0.000 1.083 245 R CB -0.035 30.359 30.300 0.156 0.000 0.974 245 R HN 0.296 8.675 8.270 0.181 0.000 0.436 246 P HA -0.267 nan 4.420 nan 0.000 0.216 246 P C 1.242 178.253 177.300 -0.482 0.000 1.151 246 P CA 3.105 66.011 63.100 -0.324 0.000 0.953 246 P CB -0.210 31.499 31.700 0.016 0.000 0.789 247 G N -4.973 103.710 108.800 -0.195 0.000 2.442 247 G HA2 -0.215 nan 3.960 nan 0.000 0.219 247 G HA3 -0.215 nan 3.960 nan 0.000 0.219 247 G C 1.350 176.222 174.900 -0.046 0.000 1.141 247 G CA 1.753 46.777 45.100 -0.125 0.000 0.763 247 G HN 0.208 8.420 8.290 -0.129 0.000 0.554 248 E N 0.792 121.031 120.200 0.066 0.000 2.516 248 E HA -0.207 nan 4.350 nan 0.000 0.199 248 E C 1.204 178.041 176.600 0.394 0.000 1.069 248 E CA 0.713 57.252 56.400 0.232 0.000 0.876 248 E CB -0.554 29.417 29.700 0.452 0.000 0.843 248 E HN -0.581 7.820 8.360 0.069 0.000 0.530 249 D N -0.433 120.101 120.400 0.223 0.000 2.104 249 D HA -0.398 nan 4.640 nan 0.000 0.194 249 D C 1.785 178.283 176.300 0.330 0.000 0.994 249 D CA 3.509 57.696 54.000 0.312 0.000 0.830 249 D CB -0.644 40.252 40.800 0.161 0.000 0.959 249 D HN -0.577 7.721 8.370 -0.003 0.071 0.452 250 E N -0.726 119.601 120.200 0.211 0.000 2.169 250 E HA -0.435 nan 4.350 nan 0.000 0.202 250 E C 2.270 178.984 176.600 0.190 0.000 1.016 250 E CA 2.737 59.248 56.400 0.186 0.000 0.817 250 E CB -0.469 29.299 29.700 0.113 0.000 0.736 250 E HN 0.183 8.624 8.360 0.135 0.000 0.462 251 Y N 0.525 120.846 120.300 0.035 0.000 2.153 251 Y HA -0.330 nan 4.550 nan 0.000 0.289 251 Y C 1.400 177.311 175.900 0.019 0.000 1.119 251 Y CA 2.854 60.894 58.100 -0.099 0.000 1.116 251 Y CB -0.027 38.221 38.460 -0.353 0.000 1.004 251 Y HN -0.823 7.492 8.280 0.259 0.120 0.501 252 W N -2.336 118.993 121.300 0.048 0.000 2.325 252 W HA -0.566 nan 4.660 nan 0.000 0.299 252 W C 2.195 178.913 176.519 0.332 0.000 1.215 252 W CA 4.412 61.838 57.345 0.134 0.000 1.244 252 W CB -0.222 29.490 29.460 0.420 0.000 1.140 252 W HN -0.232 8.042 8.180 0.158 0.000 0.523 253 H N -0.929 118.376 119.070 0.391 0.000 2.387 253 H HA -0.512 nan 4.556 nan 0.000 0.299 253 H C 1.887 177.328 175.328 0.188 0.000 1.090 253 H CA 3.003 59.229 56.048 0.297 0.000 1.332 253 H CB 0.630 30.513 29.762 0.202 0.000 1.386 253 H HN 0.345 8.937 8.280 0.540 0.012 0.516 254 R N -0.575 119.986 120.500 0.101 0.000 2.062 254 R HA -0.358 nan 4.340 nan 0.000 0.231 254 R C 1.581 177.842 176.300 -0.064 0.000 1.136 254 R CA 2.341 58.407 56.100 -0.058 0.000 0.948 254 R CB -1.163 29.076 30.300 -0.100 0.000 0.845 254 R HN -0.283 7.928 8.270 0.093 0.114 0.430 255 Y N 0.539 120.656 120.300 -0.305 0.000 2.030 255 Y HA -0.538 nan 4.550 nan 0.000 0.272 255 Y C 1.818 177.557 175.900 -0.269 0.000 1.185 255 Y CA 3.704 61.558 58.100 -0.410 0.000 1.120 255 Y CB -0.392 37.685 38.460 -0.639 0.000 0.955 255 Y HN -0.022 8.120 8.280 -0.229 0.000 0.495 256 W N -4.113 117.121 121.300 -0.111 0.000 2.379 256 W HA -0.425 nan 4.660 nan 0.000 0.307 256 W C 2.240 178.706 176.519 -0.088 0.000 1.200 256 W CA 4.647 61.901 57.345 -0.153 0.000 1.297 256 W CB -0.137 29.355 29.460 0.053 0.000 1.140 256 W HN 0.194 8.615 8.180 0.401 0.000 0.507 257 V N -0.925 119.134 119.914 0.242 0.000 2.332 257 V HA -0.625 nan 4.120 nan 0.000 0.248 257 V C 2.123 178.256 176.094 0.064 0.000 1.055 257 V CA 4.581 66.984 62.300 0.170 0.000 1.038 257 V CB -0.985 30.907 31.823 0.115 0.000 0.651 257 V HN -0.116 8.258 8.190 0.305 0.000 0.450 258 E N -0.888 119.281 120.200 -0.052 0.000 2.012 258 E HA -0.453 nan 4.350 nan 0.000 0.197 258 E C 1.890 178.418 176.600 -0.119 0.000 1.007 258 E CA 3.632 59.972 56.400 -0.100 0.000 0.816 258 E CB -0.101 29.491 29.700 -0.181 0.000 0.762 258 E HN 0.173 8.487 8.360 -0.075 0.001 0.451 259 E N -0.381 119.634 120.200 -0.309 0.000 2.033 259 E HA -0.360 nan 4.350 nan 0.000 0.199 259 E C 2.614 179.197 176.600 -0.028 0.000 1.011 259 E CA 2.819 59.031 56.400 -0.314 0.000 0.815 259 E CB -0.412 28.832 29.700 -0.759 0.000 0.755 259 E HN -0.087 7.977 8.360 -0.493 0.000 0.451 260 R N -1.543 119.017 120.500 0.100 0.000 2.159 260 R HA -0.298 nan 4.340 nan 0.000 0.237 260 R C 2.688 179.236 176.300 0.414 0.000 1.131 260 R CA 2.647 58.925 56.100 0.298 0.000 0.982 260 R CB -0.592 29.940 30.300 0.387 0.000 0.868 260 R HN 0.376 8.587 8.270 0.081 0.107 0.453 261 L N 0.109 121.498 121.223 0.276 0.000 2.072 261 L HA -0.148 nan 4.340 nan 0.000 0.205 261 L C 1.332 178.340 176.870 0.230 0.000 1.079 261 L CA 2.436 57.436 54.840 0.267 0.000 0.752 261 L CB -0.768 41.378 42.059 0.146 0.000 0.906 261 L HN -0.071 8.150 8.230 0.178 0.115 0.436 262 K N -0.526 119.962 120.400 0.146 0.000 2.044 262 K HA -0.431 nan 4.320 nan 0.000 0.210 262 K C 2.149 178.851 176.600 0.171 0.000 1.049 262 K CA 3.599 59.953 56.287 0.111 0.000 0.927 262 K CB -0.327 32.196 32.500 0.039 0.000 0.713 262 K HN -0.044 8.073 8.250 0.100 0.192 0.443 263 W N -0.431 120.874 121.300 0.009 0.000 2.353 263 W HA -0.371 nan 4.660 nan 0.000 0.319 263 W C 1.714 178.253 176.519 0.032 0.000 1.207 263 W CA 3.875 61.202 57.345 -0.031 0.000 1.291 263 W CB -0.125 29.247 29.460 -0.147 0.000 1.159 263 W HN -0.091 8.280 8.180 0.318 0.000 0.478 264 W N -3.105 118.235 121.300 0.065 0.000 2.321 264 W HA -0.609 nan 4.660 nan 0.000 0.285 264 W C 2.174 178.570 176.519 -0.205 0.000 1.213 264 W CA 3.511 60.749 57.345 -0.178 0.000 1.205 264 W CB -0.305 29.166 29.460 0.017 0.000 1.134 264 W HN -0.446 8.009 8.180 0.459 0.000 0.549 265 Q N -3.526 116.339 119.800 0.108 0.000 2.049 265 Q HA -0.367 nan 4.340 nan 0.000 0.198 265 Q C 2.860 178.839 176.000 -0.035 0.000 0.971 265 Q CA 3.228 59.060 55.803 0.049 0.000 0.833 265 Q CB -0.491 28.283 28.738 0.060 0.000 0.896 265 Q HN -0.422 7.913 8.270 0.156 0.028 0.434 266 E N 0.861 121.014 120.200 -0.078 0.000 2.267 266 E HA -0.298 nan 4.350 nan 0.000 0.197 266 E C 2.120 178.630 176.600 -0.150 0.000 0.998 266 E CA 2.631 58.982 56.400 -0.081 0.000 0.830 266 E CB -0.468 29.221 29.700 -0.020 0.000 0.751 266 E HN -0.217 8.032 8.360 -0.057 0.077 0.491 267 M N -5.015 114.392 119.600 -0.322 0.000 2.595 267 M HA -0.150 nan 4.480 nan 0.000 0.248 267 M C 0.793 177.013 176.300 -0.133 0.000 1.119 267 M CA -0.635 54.485 55.300 -0.300 0.000 1.079 267 M CB -0.478 31.751 32.600 -0.619 0.000 1.472 267 M HN -0.385 7.510 8.290 -0.401 0.155 0.501 268 G N -3.181 105.565 108.800 -0.089 0.000 2.545 268 G HA2 -0.251 nan 3.960 nan 0.000 0.195 268 G HA3 -0.251 nan 3.960 nan 0.000 0.195 268 G C -0.894 173.997 174.900 -0.015 0.000 1.009 268 G CA -0.510 44.560 45.100 -0.049 0.000 0.703 268 G HN -0.105 7.932 8.290 -0.093 0.198 0.479 269 L N 2.633 123.854 121.223 -0.003 0.000 2.562 269 L HA -0.144 nan 4.340 nan 0.000 0.271 269 L C -0.330 176.581 176.870 0.069 0.000 1.167 269 L CA 0.346 55.194 54.840 0.014 0.000 0.917 269 L CB -0.145 41.893 42.059 -0.034 0.000 1.187 269 L HN -0.584 7.649 8.230 0.004 0.000 0.482 270 S N 3.387 119.144 115.700 0.095 0.000 2.549 270 S HA -0.015 nan 4.470 nan 0.000 0.279 270 S C 1.330 175.975 174.600 0.075 0.000 1.321 270 S CA -0.610 57.633 58.200 0.071 0.000 1.054 270 S CB 1.414 64.649 63.200 0.059 0.000 0.899 270 S HN -0.300 8.301 8.310 0.123 -0.217 0.497 271 R N 5.411 125.941 120.500 0.050 0.000 2.117 271 R HA -0.373 nan 4.340 nan 0.000 0.243 271 R C 1.740 178.053 176.300 0.022 0.000 1.143 271 R CA 3.157 59.282 56.100 0.042 0.000 0.968 271 R CB -0.551 29.767 30.300 0.029 0.000 0.863 271 R HN 0.663 8.957 8.270 0.040 0.000 0.444 272 E N -1.618 118.589 120.200 0.010 0.000 2.171 272 E HA -0.278 nan 4.350 nan 0.000 0.197 272 E C 1.007 177.578 176.600 -0.048 0.000 0.997 272 E CA 3.034 59.424 56.400 -0.017 0.000 0.810 272 E CB -0.800 28.889 29.700 -0.017 0.000 0.738 272 E HN 0.321 8.669 8.360 0.017 0.022 0.467 273 N N -3.365 115.316 118.700 -0.032 0.000 2.299 273 N HA 0.044 nan 4.740 nan 0.000 0.187 273 N C -0.862 174.577 175.510 -0.120 0.000 1.099 273 N CA -0.102 52.865 53.050 -0.138 0.000 0.867 273 N CB 0.771 39.176 38.487 -0.137 0.000 0.974 273 N HN -0.183 8.066 8.380 0.027 0.147 0.477 274 L N -0.420 120.801 121.223 -0.003 0.000 2.289 274 L HA 0.403 nan 4.340 nan 0.000 0.285 274 L C -1.815 175.036 176.870 -0.032 0.000 1.049 274 L CA -0.147 54.695 54.840 0.003 0.000 0.804 274 L CB 1.091 43.184 42.059 0.056 0.000 1.195 274 L HN -0.461 7.599 8.230 0.015 0.178 0.428 275 V N 3.274 123.156 119.914 -0.054 0.000 2.588 275 V HA 0.334 nan 4.120 nan 0.000 0.304 275 V C -2.708 173.397 176.094 0.018 0.000 1.042 275 V CA -3.061 59.223 62.300 -0.027 0.000 0.877 275 V CB 3.174 34.964 31.823 -0.056 0.000 0.996 275 V HN 0.890 8.923 8.190 -0.081 0.109 0.425 276 P HA 0.389 nan 4.420 nan 0.000 0.203 276 P C -2.172 175.187 177.300 0.098 0.000 1.874 276 P CA -1.416 61.723 63.100 0.066 0.000 1.058 276 P CB -0.854 30.869 31.700 0.039 0.000 1.848 277 Y N 3.999 124.289 120.300 -0.017 0.000 2.610 277 Y HA -0.266 nan 4.550 nan 0.000 0.332 277 Y C -1.251 174.652 175.900 0.004 0.000 1.201 277 Y CA 0.619 58.711 58.100 -0.013 0.000 1.465 277 Y CB 1.186 39.635 38.460 -0.018 0.000 1.283 277 Y HN -0.630 7.729 8.280 0.216 0.050 0.563 278 Q N 8.377 127.960 119.800 -0.362 0.000 2.400 278 Q HA 0.266 nan 4.340 nan 0.000 0.255 278 Q C -1.336 174.409 176.000 -0.426 0.000 1.008 278 Q CA -1.775 53.872 55.803 -0.261 0.000 0.841 278 Q CB 0.418 29.039 28.738 -0.194 0.000 1.220 278 Q HN 0.232 8.165 8.270 -0.563 0.000 0.474 279 Q N 6.391 126.087 119.800 -0.174 0.000 2.255 279 Q HA 0.133 nan 4.340 nan 0.000 0.280 279 Q C -1.387 174.563 176.000 -0.082 0.000 1.068 279 Q CA -2.173 53.580 55.803 -0.084 0.000 0.911 279 Q CB -0.796 28.010 28.738 0.113 0.000 1.157 279 Q HN -0.065 8.195 8.270 -0.016 0.000 0.380 280 P HA 0.204 nan 4.420 nan 0.000 0.285 280 P C -0.546 176.748 177.300 -0.010 0.000 1.259 280 P CA -2.257 60.809 63.100 -0.056 0.000 0.794 280 P CB -0.328 31.333 31.700 -0.065 0.000 0.940 281 P HA -0.316 nan 4.420 nan 0.000 0.235 281 P C -0.054 177.257 177.300 0.019 0.000 1.116 281 P CA 2.769 65.874 63.100 0.009 0.000 0.991 281 P CB -0.705 31.000 31.700 0.008 0.000 0.764 282 E N -1.608 118.604 120.200 0.019 0.000 2.273 282 E HA -0.186 nan 4.350 nan 0.000 0.198 282 E C 0.967 177.590 176.600 0.038 0.000 1.002 282 E CA 1.584 58.000 56.400 0.026 0.000 0.828 282 E CB -0.268 29.446 29.700 0.024 0.000 0.747 282 E HN 0.504 8.844 8.360 0.012 0.028 0.491 283 S N -2.974 112.752 115.700 0.043 0.000 2.527 283 S HA 0.052 nan 4.470 nan 0.000 0.227 283 S C 0.527 175.162 174.600 0.057 0.000 1.059 283 S CA -0.382 57.855 58.200 0.062 0.000 0.919 283 S CB 1.008 64.264 63.200 0.094 0.000 0.805 283 S HN 0.206 8.325 8.310 0.035 0.212 0.500 284 S N 5.927 121.648 115.700 0.034 0.000 2.858 284 S HA -0.283 nan 4.470 nan 0.000 0.328 284 S C -0.202 174.406 174.600 0.013 0.000 1.149 284 S CA -0.132 58.073 58.200 0.008 0.000 1.421 284 S CB -0.516 62.682 63.200 -0.003 0.000 1.461 284 S HN -0.812 7.424 8.310 0.028 0.091 0.587 285 A N 8.139 130.980 122.820 0.035 0.000 2.565 285 A HA -0.054 nan 4.320 nan 0.000 0.237 285 A C 0.511 178.148 177.584 0.089 0.000 1.053 285 A CA 0.594 52.723 52.037 0.154 0.000 0.755 285 A CB 0.637 19.800 19.000 0.272 0.000 0.980 285 A HN 0.235 8.393 8.150 0.031 0.010 0.506 286 H N 2.280 121.371 119.070 0.035 0.000 1.651 286 H HA -0.463 nan 4.556 nan 0.000 0.133 286 H C 1.691 176.968 175.328 -0.084 0.000 1.158 286 H CA 2.983 59.017 56.048 -0.024 0.000 1.803 286 H CB -1.795 27.925 29.762 -0.070 0.000 2.152 286 H HN 0.679 9.235 8.280 0.460 0.000 0.920 287 Y N -0.324 119.430 120.300 -0.911 0.000 2.384 287 Y HA -0.206 nan 4.550 nan 0.000 0.289 287 Y C -1.151 174.558 175.900 -0.318 0.000 1.152 287 Y CA -1.373 56.285 58.100 -0.736 0.000 1.258 287 Y CB -1.298 36.610 38.460 -0.920 0.000 0.979 287 Y HN -0.349 7.255 8.280 -1.128 0.000 0.549 288 A N -1.690 120.731 122.820 -0.666 0.000 2.276 288 A HA 0.058 nan 4.320 nan 0.000 0.300 288 A C -0.699 176.770 177.584 -0.192 0.000 1.235 288 A CA -0.950 50.810 52.037 -0.462 0.000 0.867 288 A CB 0.023 18.700 19.000 -0.538 0.000 1.137 288 A HN -0.366 7.289 8.150 -0.752 0.043 0.527 289 K N 4.253 124.601 120.400 -0.087 0.000 2.007 289 K HA -0.157 nan 4.320 nan 0.000 0.206 289 K C -0.432 176.181 176.600 0.021 0.000 1.047 289 K CA 2.470 58.758 56.287 0.003 0.000 0.937 289 K CB 0.843 33.390 32.500 0.079 0.000 0.718 289 K HN -0.194 8.005 8.250 -0.086 0.000 0.438 290 A N -5.132 117.716 122.820 0.048 0.000 2.515 290 A HA 0.585 nan 4.320 nan 0.000 0.296 290 A C -2.675 175.001 177.584 0.153 0.000 1.094 290 A CA -1.133 50.974 52.037 0.116 0.000 0.718 290 A CB 3.042 22.163 19.000 0.202 0.000 1.307 290 A HN -0.767 7.400 8.150 0.029 0.000 0.408 291 T N 0.355 115.027 114.554 0.197 0.000 3.767 291 T HA 0.284 nan 4.350 nan 0.000 0.360 291 T C -2.170 172.644 174.700 0.189 0.000 1.181 291 T CA 0.363 62.581 62.100 0.196 0.000 1.110 291 T CB 1.854 70.729 68.868 0.012 0.000 1.201 291 T HN -0.226 8.298 8.240 0.140 -0.200 0.474 292 V N 7.875 127.953 119.914 0.273 0.000 2.427 292 V HA 0.659 nan 4.120 nan 0.000 0.286 292 V C -1.549 174.652 176.094 0.179 0.000 1.034 292 V CA -1.569 60.832 62.300 0.168 0.000 0.893 292 V CB 1.411 33.310 31.823 0.126 0.000 0.982 292 V HN 0.352 8.836 8.190 0.491 0.000 0.452 293 D N 5.767 126.271 120.400 0.174 0.000 2.192 293 D HA 0.538 nan 4.640 nan 0.000 0.246 293 D C -0.737 175.635 176.300 0.121 0.000 1.042 293 D CA -1.398 52.696 54.000 0.157 0.000 0.847 293 D CB 2.662 43.563 40.800 0.169 0.000 1.186 293 D HN 0.535 9.019 8.370 0.189 0.000 0.461 294 I N 3.184 123.803 120.570 0.082 0.000 2.291 294 I HA 0.140 nan 4.170 nan 0.000 0.290 294 I C -0.889 175.185 176.117 -0.071 0.000 1.050 294 I CA -0.632 60.684 61.300 0.027 0.000 1.245 294 I CB 0.169 38.196 38.000 0.045 0.000 1.405 294 I HN 0.582 8.848 8.210 0.094 0.000 0.478 295 L N 6.921 128.088 121.223 -0.094 0.000 2.395 295 L HA 0.535 nan 4.340 nan 0.000 0.269 295 L C -1.486 175.214 176.870 -0.284 0.000 1.133 295 L CA -0.827 53.880 54.840 -0.222 0.000 0.812 295 L CB 0.029 41.958 42.059 -0.218 0.000 1.125 295 L HN 0.862 8.974 8.230 -0.038 0.095 0.452 296 Y N 4.028 123.929 120.300 -0.664 0.000 2.442 296 Y HA 0.287 nan 4.550 nan 0.000 0.344 296 Y C -1.470 173.941 175.900 -0.815 0.000 0.976 296 Y CA -1.834 55.850 58.100 -0.693 0.000 1.040 296 Y CB 4.043 42.076 38.460 -0.713 0.000 1.228 296 Y HN 0.913 8.755 8.280 -0.731 0.000 0.451 297 R N 7.276 126.896 120.500 -1.468 0.000 3.152 297 R HA -0.109 nan 4.340 nan 0.000 0.209 297 R C -0.489 175.296 176.300 -0.859 0.000 1.649 297 R CA -1.262 54.233 56.100 -1.009 0.000 1.185 297 R CB -2.486 27.379 30.300 -0.726 0.000 1.258 297 R HN -0.137 7.172 8.270 -1.602 0.000 0.656 298 F N 3.564 123.124 119.950 -0.650 0.000 2.496 298 F HA 0.148 nan 4.527 nan 0.000 0.344 298 F C 0.113 175.589 175.800 -0.540 0.000 1.155 298 F CA -2.637 55.014 58.000 -0.582 0.000 1.302 298 F CB -1.226 37.172 39.000 -1.003 0.000 1.159 298 F HN -0.354 7.387 8.300 -0.878 0.032 0.595 299 P HA -0.266 nan 4.420 nan 0.000 0.216 299 P C -1.082 176.162 177.300 -0.093 0.000 1.157 299 P CA 2.947 65.977 63.100 -0.116 0.000 0.880 299 P CB 0.103 31.767 31.700 -0.061 0.000 0.791 300 H N -6.867 112.234 119.070 0.051 0.000 2.563 300 H HA -0.029 nan 4.556 nan 0.000 0.272 300 H C -0.062 175.297 175.328 0.053 0.000 1.005 300 H CA -0.814 55.271 56.048 0.061 0.000 1.171 300 H CB -0.344 29.484 29.762 0.111 0.000 1.351 300 H HN -0.290 7.864 8.280 -0.209 0.001 0.602 301 G N -0.660 108.032 108.800 -0.181 0.000 2.375 301 G HA2 -0.217 nan 3.960 nan 0.000 0.663 301 G HA3 -0.217 nan 3.960 nan 0.000 0.663 301 G C -2.005 172.729 174.900 -0.277 0.000 1.391 301 G CA -0.447 44.573 45.100 -0.134 0.000 0.949 301 G HN -0.254 7.625 8.290 -0.316 0.220 0.646 302 S N 1.425 116.952 115.700 -0.289 0.000 2.560 302 S HA 0.008 nan 4.470 nan 0.000 0.323 302 S C -0.224 174.166 174.600 -0.350 0.000 1.191 302 S CA 0.701 58.658 58.200 -0.405 0.000 1.231 302 S CB -0.410 62.606 63.200 -0.306 0.000 1.224 302 S HN 0.194 8.372 8.310 -0.220 0.000 0.545 303 L N 4.710 125.622 121.223 -0.518 0.000 2.260 303 L HA 0.355 nan 4.340 nan 0.000 0.265 303 L C -1.445 175.236 176.870 -0.316 0.000 1.015 303 L CA -2.181 52.534 54.840 -0.209 0.000 0.826 303 L CB 4.550 46.837 42.059 0.379 0.000 1.373 303 L HN -0.268 7.387 8.230 -0.959 0.000 0.450 304 E N -0.751 119.476 120.200 0.046 0.000 2.415 304 E HA -0.143 nan 4.350 nan 0.000 0.263 304 E C -0.546 176.078 176.600 0.041 0.000 0.995 304 E CA 1.611 58.042 56.400 0.051 0.000 0.915 304 E CB 0.469 30.266 29.700 0.161 0.000 0.951 304 E HN 0.121 8.631 8.360 0.251 0.000 0.449 305 L N 6.552 127.735 121.223 -0.065 0.000 2.515 305 L HA 0.310 nan 4.340 nan 0.000 0.202 305 L C -1.578 175.284 176.870 -0.014 0.000 1.056 305 L CA 0.760 55.536 54.840 -0.106 0.000 0.847 305 L CB 3.074 44.886 42.059 -0.410 0.000 1.131 305 L HN 0.511 8.691 8.230 -0.083 0.000 0.484 306 E N -3.818 116.405 120.200 0.038 0.000 2.408 306 E HA 0.438 nan 4.350 nan 0.000 0.275 306 E C -1.876 174.818 176.600 0.157 0.000 0.935 306 E CA -1.437 55.072 56.400 0.181 0.000 0.775 306 E CB 4.142 34.065 29.700 0.371 0.000 1.277 306 E HN -0.759 7.597 8.360 -0.007 0.000 0.455 307 G N 1.085 109.986 108.800 0.168 0.000 2.866 307 G HA2 0.572 nan 3.960 nan 0.000 0.291 307 G HA3 0.572 nan 3.960 nan 0.000 0.291 307 G C -1.687 173.297 174.900 0.141 0.000 1.476 307 G CA -0.413 44.776 45.100 0.148 0.000 1.048 307 G HN 0.841 9.126 8.290 0.178 0.111 0.542 308 I N 7.066 127.738 120.570 0.170 0.000 2.278 308 I HA 0.116 nan 4.170 nan 0.000 0.296 308 I C -1.699 174.454 176.117 0.060 0.000 1.121 308 I CA -0.700 60.690 61.300 0.149 0.000 1.267 308 I CB -1.161 36.997 38.000 0.263 0.000 1.447 308 I HN 0.290 8.617 8.210 0.195 0.000 0.509 309 A N 7.840 130.615 122.820 -0.075 0.000 2.271 309 A HA 0.636 nan 4.320 nan 0.000 0.288 309 A C -1.629 175.710 177.584 -0.408 0.000 1.094 309 A CA -1.182 50.727 52.037 -0.213 0.000 0.828 309 A CB 1.827 20.714 19.000 -0.188 0.000 1.091 309 A HN 0.740 8.870 8.150 -0.033 0.000 0.493 310 Q N 0.305 119.867 119.800 -0.397 0.000 2.656 310 Q HA 0.172 nan 4.340 nan 0.000 0.389 310 Q C -1.637 174.290 176.000 -0.121 0.000 0.883 310 Q CA -2.217 53.409 55.803 -0.295 0.000 1.056 310 Q CB 0.447 28.987 28.738 -0.331 0.000 1.391 310 Q HN 0.054 8.138 8.270 -0.311 0.000 0.399 311 R N 0.832 121.255 120.500 -0.128 0.000 2.817 311 R HA -0.048 nan 4.340 nan 0.000 0.264 311 R C 0.158 176.452 176.300 -0.010 0.000 1.009 311 R CA 0.429 56.486 56.100 -0.072 0.000 1.133 311 R CB 0.130 30.469 30.300 0.064 0.000 1.013 311 R HN -0.181 8.007 8.270 -0.137 0.000 0.453 312 T N -2.614 111.907 114.554 -0.055 0.000 3.246 312 T HA 0.020 nan 4.350 nan 0.000 0.231 312 T C -0.809 173.597 174.700 -0.489 0.000 0.986 312 T CA 2.087 64.030 62.100 -0.260 0.000 1.340 312 T CB 0.464 69.132 68.868 -0.333 0.000 1.063 312 T HN 0.060 8.288 8.240 -0.021 0.000 0.427 313 D N -1.273 118.879 120.400 -0.412 0.000 2.640 313 D HA 0.010 nan 4.640 nan 0.000 0.282 313 D C 0.092 176.248 176.300 -0.238 0.000 1.558 313 D CA -0.421 53.372 54.000 -0.344 0.000 0.820 313 D CB -0.169 40.382 40.800 -0.415 0.000 1.243 313 D HN -0.404 7.807 8.370 -0.265 0.000 0.456 314 F N 1.530 121.334 119.950 -0.244 0.000 2.171 314 F HA -0.401 nan 4.527 nan 0.000 0.300 314 F C -0.115 175.550 175.800 -0.226 0.000 1.090 314 F CA 4.599 62.488 58.000 -0.185 0.000 1.293 314 F CB 0.177 39.103 39.000 -0.124 0.000 1.013 314 F HN -0.585 7.652 8.300 0.009 0.068 0.486 315 D N 0.141 120.156 120.400 -0.642 0.000 2.083 315 D HA -0.263 nan 4.640 nan 0.000 0.199 315 D C 2.380 178.354 176.300 -0.543 0.000 0.980 315 D CA 3.694 57.206 54.000 -0.813 0.000 0.851 315 D CB -0.687 39.346 40.800 -1.278 0.000 0.997 315 D HN -0.193 7.985 8.370 -0.301 0.011 0.449 316 L N -1.280 119.694 121.223 -0.415 0.000 2.129 316 L HA -0.291 nan 4.340 nan 0.000 0.212 316 L C 2.683 179.381 176.870 -0.287 0.000 1.087 316 L CA 2.646 57.297 54.840 -0.315 0.000 0.757 316 L CB -0.392 41.395 42.059 -0.455 0.000 0.896 316 L HN 0.022 7.998 8.230 -0.424 0.000 0.434 317 G N -1.508 107.084 108.800 -0.348 0.000 2.484 317 G HA2 -0.330 nan 3.960 nan 0.000 0.215 317 G HA3 -0.330 nan 3.960 nan 0.000 0.215 317 G C 1.075 175.764 174.900 -0.352 0.000 1.219 317 G CA 1.710 46.629 45.100 -0.302 0.000 0.791 317 G HN -0.173 7.873 8.290 -0.385 0.013 0.550 318 S N 0.856 116.217 115.700 -0.565 0.000 2.520 318 S HA -0.258 nan 4.470 nan 0.000 0.249 318 S C 0.038 174.252 174.600 -0.644 0.000 0.983 318 S CA 2.478 60.331 58.200 -0.579 0.000 0.958 318 S CB 0.167 62.837 63.200 -0.883 0.000 0.750 318 S HN 0.098 7.821 8.310 -0.783 0.117 0.527 319 H N -3.358 115.496 119.070 -0.360 0.000 2.923 319 H HA 0.347 nan 4.556 nan 0.000 0.268 319 H C -1.652 173.514 175.328 -0.270 0.000 1.148 319 H CA -0.398 55.453 56.048 -0.329 0.000 1.146 319 H CB 1.699 31.346 29.762 -0.191 0.000 1.607 319 H HN -0.742 7.136 8.280 -0.314 0.213 0.566 320 T N 0.072 114.526 114.554 -0.166 0.000 2.943 320 T HA 0.209 nan 4.350 nan 0.000 0.284 320 T C -1.040 173.578 174.700 -0.136 0.000 1.015 320 T CA -1.401 60.622 62.100 -0.128 0.000 1.042 320 T CB 1.407 70.201 68.868 -0.124 0.000 1.055 320 T HN 0.089 8.085 8.240 -0.214 0.116 0.500 321 K N 3.288 123.623 120.400 -0.108 0.000 2.185 321 K HA 0.048 nan 4.320 nan 0.000 0.271 321 K C -0.485 176.047 176.600 -0.113 0.000 1.013 321 K CA -0.131 56.092 56.287 -0.106 0.000 0.943 321 K CB 1.223 33.667 32.500 -0.094 0.000 0.998 321 K HN 0.118 8.232 8.250 -0.091 0.081 0.468 322 D N -0.190 120.148 120.400 -0.104 0.000 2.697 322 D HA -0.381 nan 4.640 nan 0.000 0.235 322 D C 0.961 177.209 176.300 -0.086 0.000 1.167 322 D CA 1.003 54.944 54.000 -0.099 0.000 0.656 322 D CB -1.877 38.850 40.800 -0.123 0.000 1.025 322 D HN 0.606 8.919 8.370 -0.096 0.000 0.419 323 Q N -2.227 117.527 119.800 -0.076 0.000 2.325 323 Q HA -0.525 nan 4.340 nan 0.000 0.211 323 Q C 1.227 177.205 176.000 -0.037 0.000 0.988 323 Q CA 3.063 58.828 55.803 -0.063 0.000 0.887 323 Q CB -0.523 28.178 28.738 -0.062 0.000 0.915 323 Q HN 0.656 8.878 8.270 -0.080 0.000 0.440 324 E N -2.930 117.248 120.200 -0.036 0.000 2.051 324 E HA -0.186 nan 4.350 nan 0.000 0.189 324 E C 0.748 177.341 176.600 -0.011 0.000 0.979 324 E CA 1.863 58.252 56.400 -0.019 0.000 0.803 324 E CB -0.897 28.790 29.700 -0.022 0.000 0.761 324 E HN 0.007 8.271 8.360 -0.046 0.067 0.451 325 A N -0.671 122.131 122.820 -0.031 0.000 1.855 325 A HA -0.072 nan 4.320 nan 0.000 0.215 325 A C 1.485 179.083 177.584 0.022 0.000 1.191 325 A CA 1.926 53.950 52.037 -0.021 0.000 0.613 325 A CB 0.522 19.477 19.000 -0.076 0.000 0.829 325 A HN -0.399 7.720 8.150 -0.052 0.000 0.442 326 L N -3.705 117.527 121.223 0.015 0.000 2.382 326 L HA 0.062 nan 4.340 nan 0.000 0.259 326 L C 0.360 177.280 176.870 0.083 0.000 1.291 326 L CA -1.006 53.890 54.840 0.092 0.000 1.176 326 L CB -2.249 39.855 42.059 0.075 0.000 1.373 326 L HN -0.796 7.413 8.230 -0.036 0.000 0.426 327 G N 2.812 111.670 108.800 0.096 0.000 2.689 327 G HA2 -0.301 nan 3.960 nan 0.000 0.298 327 G HA3 -0.301 nan 3.960 nan 0.000 0.298 327 G C 0.125 175.072 174.900 0.078 0.000 0.527 327 G CA 0.661 45.810 45.100 0.083 0.000 1.247 327 G HN -0.290 8.028 8.290 0.108 0.036 0.232 328 I N 3.511 124.105 120.570 0.039 0.000 3.138 328 I HA -0.112 nan 4.170 nan 0.000 0.288 328 I C 0.526 176.662 176.117 0.032 0.000 1.148 328 I CA 0.972 62.282 61.300 0.018 0.000 1.315 328 I CB 0.792 38.777 38.000 -0.024 0.000 1.426 328 I HN -0.453 7.772 8.210 0.025 0.000 0.615 329 T N 3.636 118.196 114.554 0.010 0.000 3.391 329 T HA 0.179 nan 4.350 nan 0.000 0.233 329 T C 0.301 175.015 174.700 0.023 0.000 0.960 329 T CA -0.053 62.063 62.100 0.027 0.000 1.342 329 T CB 0.623 69.505 68.868 0.023 0.000 1.124 329 T HN 0.039 8.483 8.240 -0.027 -0.221 0.396 330 A N 2.949 125.772 122.820 0.005 0.000 2.386 330 A HA 0.024 nan 4.320 nan 0.000 0.246 330 A C -0.731 176.910 177.584 0.095 0.000 1.089 330 A CA 0.056 52.128 52.037 0.058 0.000 0.790 330 A CB 0.985 20.042 19.000 0.094 0.000 1.042 330 A HN -0.252 8.165 8.150 -0.050 -0.298 0.497 331 R N -0.198 120.372 120.500 0.118 0.000 2.537 331 R HA -0.008 nan 4.340 nan 0.000 0.280 331 R C -1.517 174.908 176.300 0.207 0.000 1.058 331 R CA 0.680 56.851 56.100 0.118 0.000 1.057 331 R CB 0.173 30.524 30.300 0.086 0.000 0.973 331 R HN 0.150 8.480 8.270 0.101 0.000 0.438 332 V N -2.300 117.687 119.914 0.122 0.000 3.076 332 V HA 0.507 nan 4.120 nan 0.000 0.311 332 V C -1.665 174.467 176.094 0.063 0.000 1.346 332 V CA -2.323 60.033 62.300 0.094 0.000 1.056 332 V CB 2.458 34.249 31.823 -0.053 0.000 1.093 332 V HN -0.186 8.049 8.190 0.075 0.000 0.468 333 L N -1.572 119.686 121.223 0.059 0.000 2.333 333 L HA 0.430 nan 4.340 nan 0.000 0.269 333 L C -0.828 176.108 176.870 0.109 0.000 1.010 333 L CA -1.484 53.402 54.840 0.077 0.000 0.818 333 L CB 2.436 44.535 42.059 0.066 0.000 1.306 333 L HN 0.131 8.388 8.230 0.045 0.000 0.430 334 R N 0.838 121.391 120.500 0.088 0.000 2.507 334 R HA -0.277 nan 4.340 nan 0.000 0.341 334 R C -0.786 175.613 176.300 0.164 0.000 0.960 334 R CA 0.497 56.641 56.100 0.073 0.000 1.032 334 R CB -0.035 30.288 30.300 0.038 0.000 0.933 334 R HN 0.234 8.543 8.270 0.065 0.000 0.418 335 N N 6.566 125.323 118.700 0.094 0.000 2.402 335 N HA -0.175 nan 4.740 nan 0.000 0.259 335 N C -0.567 174.948 175.510 0.009 0.000 1.167 335 N CA 0.626 53.701 53.050 0.041 0.000 0.949 335 N CB 0.277 38.599 38.487 -0.276 0.000 1.212 335 N HN 0.141 8.528 8.380 0.012 0.000 0.493 336 E N 4.873 125.106 120.200 0.055 0.000 2.479 336 E HA 0.031 nan 4.350 nan 0.000 0.193 336 E C 0.306 176.635 176.600 -0.453 0.000 1.049 336 E CA 0.444 56.709 56.400 -0.225 0.000 0.870 336 E CB 0.597 30.096 29.700 -0.335 0.000 0.944 336 E HN 0.071 8.624 8.360 0.321 0.000 0.492 337 H N -3.059 116.069 119.070 0.097 0.000 2.926 337 H HA 0.189 nan 4.556 nan 0.000 0.249 337 H C 0.113 175.424 175.328 -0.029 0.000 0.963 337 H CA -0.142 55.940 56.048 0.057 0.000 1.158 337 H CB 1.332 31.187 29.762 0.156 0.000 1.445 337 H HN -0.692 7.713 8.280 0.064 -0.087 0.452 338 S N 1.866 117.558 115.700 -0.014 0.000 2.626 338 S HA -0.131 nan 4.470 nan 0.000 0.303 338 S C 0.903 175.485 174.600 -0.031 0.000 1.256 338 S CA 0.434 58.603 58.200 -0.051 0.000 1.069 338 S CB 0.718 63.849 63.200 -0.116 0.000 0.807 338 S HN -0.478 8.047 8.310 -0.102 -0.275 0.500 339 T N 1.098 115.642 114.554 -0.018 0.000 3.107 339 T HA 0.100 nan 4.350 nan 0.000 0.249 339 T C 0.161 174.844 174.700 -0.028 0.000 1.096 339 T CA -0.059 62.029 62.100 -0.020 0.000 1.012 339 T CB -0.281 68.581 68.868 -0.011 0.000 0.977 339 T HN 0.077 8.310 8.240 -0.013 0.000 0.527 340 Q N 0.773 120.554 119.800 -0.031 0.000 2.359 340 Q HA 0.264 nan 4.340 nan 0.000 0.274 340 Q C -2.210 173.769 176.000 -0.035 0.000 1.074 340 Q CA -0.975 54.813 55.803 -0.025 0.000 0.810 340 Q CB 4.535 33.272 28.738 -0.002 0.000 1.342 340 Q HN -0.335 7.832 8.270 -0.035 0.082 0.427 341 R N 0.933 121.411 120.500 -0.037 0.000 2.202 341 R HA 0.153 nan 4.340 nan 0.000 0.334 341 R C -0.399 175.914 176.300 0.021 0.000 1.036 341 R CA -0.823 55.247 56.100 -0.049 0.000 0.878 341 R CB 0.109 30.339 30.300 -0.116 0.000 1.067 341 R HN 0.394 8.644 8.270 -0.033 0.000 0.457 342 L N 6.009 127.233 121.223 0.001 0.000 2.399 342 L HA 0.114 nan 4.340 nan 0.000 0.257 342 L C -1.296 175.546 176.870 -0.047 0.000 1.236 342 L CA -0.493 54.367 54.840 0.034 0.000 1.144 342 L CB -2.053 39.969 42.059 -0.061 0.000 1.379 342 L HN 0.371 8.574 8.230 -0.045 0.000 0.414 343 A N 1.905 124.802 122.820 0.129 0.000 2.475 343 A HA 0.370 nan 4.320 nan 0.000 0.301 343 A C -2.232 175.532 177.584 0.300 0.000 1.059 343 A CA -1.060 51.070 52.037 0.155 0.000 0.710 343 A CB 3.205 22.374 19.000 0.282 0.000 1.288 343 A HN -0.476 7.769 8.150 0.219 0.036 0.408 344 Y N 2.990 123.225 120.300 -0.108 0.000 2.419 344 Y HA 0.222 nan 4.550 nan 0.000 0.328 344 Y C -2.707 173.010 175.900 -0.304 0.000 1.162 344 Y CA -0.914 57.068 58.100 -0.197 0.000 1.174 344 Y CB 3.425 41.622 38.460 -0.438 0.000 1.228 344 Y HN 0.338 8.522 8.280 -0.160 0.000 0.473 345 R N 1.899 121.715 120.500 -1.139 0.000 2.855 345 R HA 0.297 nan 4.340 nan 0.000 0.266 345 R C -1.572 174.231 176.300 -0.829 0.000 1.034 345 R CA -1.428 54.070 56.100 -1.004 0.000 0.944 345 R CB 2.952 32.247 30.300 -1.675 0.000 1.219 345 R HN 0.043 7.407 8.270 -1.510 0.000 0.474 346 D N -0.283 119.804 120.400 -0.521 0.000 2.739 346 D HA -0.169 nan 4.640 nan 0.000 0.240 346 D C -1.253 174.970 176.300 -0.128 0.000 1.114 346 D CA 0.468 54.290 54.000 -0.296 0.000 0.695 346 D CB -0.145 40.486 40.800 -0.281 0.000 1.078 346 D HN -0.198 7.753 8.370 -0.569 0.078 0.434 347 P HA -0.235 nan 4.420 nan 0.000 0.212 347 P C 0.133 177.440 177.300 0.012 0.000 1.174 347 P CA 1.862 64.999 63.100 0.062 0.000 0.934 347 P CB 0.192 31.754 31.700 -0.229 0.000 0.791 348 E N -6.464 113.707 120.200 -0.047 0.000 3.001 348 E HA -0.023 nan 4.350 nan 0.000 0.211 348 E C 0.743 177.316 176.600 -0.045 0.000 1.026 348 E CA 0.459 56.839 56.400 -0.034 0.000 1.614 348 E CB -0.237 29.438 29.700 -0.041 0.000 1.672 348 E HN -0.101 8.215 8.360 -0.073 0.000 0.869 349 T N -2.822 111.698 114.554 -0.056 0.000 2.645 349 T HA 0.005 nan 4.350 nan 0.000 0.233 349 T C 0.935 175.592 174.700 -0.072 0.000 1.158 349 T CA 2.663 64.734 62.100 -0.049 0.000 1.610 349 T CB 0.244 69.089 68.868 -0.038 0.000 1.059 349 T HN 0.099 8.300 8.240 -0.065 0.000 0.395 350 G N -1.101 107.645 108.800 -0.090 0.000 3.858 350 G HA2 -0.007 nan 3.960 nan 0.000 0.164 350 G HA3 -0.007 nan 3.960 nan 0.000 0.164 350 G C -1.499 173.261 174.900 -0.233 0.000 1.116 350 G CA -0.163 44.840 45.100 -0.162 0.000 0.830 350 G HN -0.152 8.098 8.290 -0.067 0.000 0.666 351 K N 1.640 121.988 120.400 -0.086 0.000 2.286 351 K HA -0.046 nan 4.320 nan 0.000 0.256 351 K C -1.063 175.531 176.600 -0.010 0.000 0.999 351 K CA -0.196 56.114 56.287 0.040 0.000 0.908 351 K CB 0.902 33.479 32.500 0.129 0.000 0.981 351 K HN -0.697 7.526 8.250 -0.044 0.000 0.500 352 W N -0.671 120.692 121.300 0.105 0.000 2.381 352 W HA 0.136 nan 4.660 nan 0.000 0.329 352 W C -0.960 175.698 176.519 0.233 0.000 1.157 352 W CA -0.052 57.355 57.345 0.103 0.000 1.240 352 W CB 1.609 31.084 29.460 0.026 0.000 1.199 352 W HN -0.276 8.264 8.180 0.600 0.000 0.579 353 F N -4.684 115.401 119.950 0.226 0.000 2.615 353 F HA 0.420 nan 4.527 nan 0.000 0.312 353 F C -2.562 173.345 175.800 0.177 0.000 1.119 353 F CA -1.978 56.133 58.000 0.186 0.000 0.979 353 F CB 2.586 41.682 39.000 0.161 0.000 1.266 353 F HN 0.619 8.963 8.300 0.072 0.000 0.444 354 V N 4.219 124.184 119.914 0.085 0.000 2.427 354 V HA 0.192 nan 4.120 nan 0.000 0.268 354 V C -1.066 175.009 176.094 -0.031 0.000 1.046 354 V CA -2.232 60.002 62.300 -0.111 0.000 0.970 354 V CB -1.087 30.671 31.823 -0.109 0.000 1.001 354 V HN 0.584 8.895 8.190 0.202 0.000 0.476 355 P HA 0.130 nan 4.420 nan 0.000 0.269 355 P C -1.569 175.840 177.300 0.181 0.000 1.215 355 P CA -0.241 62.916 63.100 0.095 0.000 0.780 355 P CB 0.931 32.599 31.700 -0.054 0.000 0.898 356 Y N -1.008 119.369 120.300 0.128 0.000 2.282 356 Y HA 0.158 nan 4.550 nan 0.000 0.335 356 Y C 0.103 176.054 175.900 0.084 0.000 1.335 356 Y CA 0.116 58.279 58.100 0.105 0.000 1.529 356 Y CB 1.495 40.039 38.460 0.141 0.000 1.429 356 Y HN 0.284 8.925 8.280 0.602 0.000 0.563 357 V N -0.947 119.105 119.914 0.230 0.000 2.777 357 V HA 0.353 nan 4.120 nan 0.000 0.306 357 V C -1.476 174.648 176.094 0.051 0.000 1.112 357 V CA -0.977 61.381 62.300 0.097 0.000 0.917 357 V CB 3.500 35.375 31.823 0.087 0.000 1.018 357 V HN -0.213 8.126 8.190 0.249 0.000 0.426 358 I N 6.493 127.057 120.570 -0.010 0.000 2.378 358 I HA 0.327 nan 4.170 nan 0.000 0.291 358 I C -1.859 174.132 176.117 -0.210 0.000 0.992 358 I CA -1.989 59.270 61.300 -0.069 0.000 1.154 358 I CB 1.218 39.269 38.000 0.086 0.000 1.315 358 I HN 0.356 8.539 8.210 -0.046 0.000 0.448 359 E N 7.696 127.793 120.200 -0.173 0.000 2.186 359 E HA 0.508 nan 4.350 nan 0.000 0.255 359 E C -2.734 173.803 176.600 -0.105 0.000 0.881 359 E CA -3.560 52.757 56.400 -0.138 0.000 0.752 359 E CB 3.395 33.111 29.700 0.026 0.000 1.176 359 E HN 0.756 8.897 8.360 -0.168 0.118 0.421 360 P HA 0.232 nan 4.420 nan 0.000 0.291 360 P C -2.059 175.286 177.300 0.075 0.000 1.378 360 P CA -0.575 62.519 63.100 -0.010 0.000 0.853 360 P CB -0.089 31.570 31.700 -0.069 0.000 1.002 361 S N 5.569 121.338 115.700 0.114 0.000 2.433 361 S HA 0.489 nan 4.470 nan 0.000 0.310 361 S C -2.003 172.689 174.600 0.153 0.000 1.097 361 S CA -1.804 56.468 58.200 0.120 0.000 1.103 361 S CB 0.661 63.943 63.200 0.136 0.000 0.992 361 S HN 0.043 8.424 8.310 0.117 0.000 0.469 362 A N 6.554 129.449 122.820 0.125 0.000 2.343 362 A HA 0.700 nan 4.320 nan 0.000 0.308 362 A C -1.809 175.834 177.584 0.098 0.000 1.092 362 A CA -1.683 50.470 52.037 0.193 0.000 0.751 362 A CB 3.283 22.503 19.000 0.367 0.000 1.203 362 A HN -0.041 8.134 8.150 0.042 0.000 0.452 363 G N 1.980 110.844 108.800 0.106 0.000 2.361 363 G HA2 0.063 nan 3.960 nan 0.000 0.260 363 G HA3 0.063 nan 3.960 nan 0.000 0.260 363 G C -0.023 174.932 174.900 0.092 0.000 1.261 363 G CA -0.111 45.012 45.100 0.039 0.000 0.897 363 G HN -0.204 8.162 8.290 0.127 0.000 0.499 364 V N 5.587 125.526 119.914 0.041 0.000 2.453 364 V HA -0.381 nan 4.120 nan 0.000 0.247 364 V C 1.608 177.736 176.094 0.055 0.000 1.048 364 V CA 3.607 65.930 62.300 0.037 0.000 1.049 364 V CB -0.164 31.624 31.823 -0.058 0.000 0.672 364 V HN 0.146 8.351 8.190 0.025 0.000 0.457 365 D N -0.919 119.509 120.400 0.046 0.000 2.117 365 D HA -0.279 nan 4.640 nan 0.000 0.198 365 D C 2.408 178.709 176.300 0.003 0.000 0.982 365 D CA 4.278 58.322 54.000 0.075 0.000 0.828 365 D CB -0.452 40.418 40.800 0.116 0.000 0.967 365 D HN -0.516 7.885 8.370 0.052 0.000 0.464 366 R N -0.649 119.842 120.500 -0.014 0.000 2.115 366 R HA -0.139 nan 4.340 nan 0.000 0.226 366 R C 2.437 178.687 176.300 -0.083 0.000 1.100 366 R CA 2.695 58.738 56.100 -0.096 0.000 0.980 366 R CB -0.324 29.984 30.300 0.013 0.000 0.875 366 R HN 0.125 8.403 8.270 0.013 0.000 0.445 367 G N -0.618 108.229 108.800 0.078 0.000 2.408 367 G HA2 -0.241 nan 3.960 nan 0.000 0.217 367 G HA3 -0.241 nan 3.960 nan 0.000 0.217 367 G C 1.052 176.049 174.900 0.161 0.000 1.150 367 G CA 2.075 47.314 45.100 0.232 0.000 0.776 367 G HN -0.274 8.101 8.290 0.142 0.000 0.542 368 V N 3.899 123.879 119.914 0.110 0.000 2.261 368 V HA -0.381 nan 4.120 nan 0.000 0.246 368 V C 1.512 177.591 176.094 -0.025 0.000 1.047 368 V CA 3.982 66.332 62.300 0.084 0.000 1.015 368 V CB -0.482 31.424 31.823 0.138 0.000 0.642 368 V HN -0.444 7.805 8.190 0.112 0.008 0.446 369 L N -1.509 119.635 121.223 -0.132 0.000 2.042 369 L HA -0.464 nan 4.340 nan 0.000 0.210 369 L C 1.757 178.484 176.870 -0.238 0.000 1.076 369 L CA 3.211 57.896 54.840 -0.259 0.000 0.749 369 L CB -0.637 41.142 42.059 -0.466 0.000 0.893 369 L HN -0.303 7.855 8.230 -0.121 0.000 0.432 370 A N -0.431 122.241 122.820 -0.248 0.000 1.858 370 A HA -0.357 nan 4.320 nan 0.000 0.216 370 A C 1.845 179.238 177.584 -0.318 0.000 1.190 370 A CA 3.309 55.126 52.037 -0.367 0.000 0.617 370 A CB -0.917 17.728 19.000 -0.591 0.000 0.827 370 A HN 0.237 8.049 8.150 -0.224 0.203 0.443 371 L N -2.026 119.102 121.223 -0.159 0.000 2.012 371 L HA -0.485 nan 4.340 nan 0.000 0.210 371 L C 2.510 179.356 176.870 -0.040 0.000 1.073 371 L CA 3.008 57.807 54.840 -0.068 0.000 0.748 371 L CB -0.437 41.637 42.059 0.024 0.000 0.891 371 L HN 0.024 8.197 8.230 -0.096 0.000 0.431 372 L N -2.352 118.845 121.223 -0.043 0.000 2.017 372 L HA -0.489 nan 4.340 nan 0.000 0.208 372 L C 1.980 178.861 176.870 0.019 0.000 1.073 372 L CA 3.105 57.922 54.840 -0.039 0.000 0.745 372 L CB -0.692 41.301 42.059 -0.110 0.000 0.894 372 L HN 0.445 8.533 8.230 -0.055 0.108 0.432 373 A N -0.854 121.965 122.820 -0.003 0.000 1.851 373 A HA -0.397 nan 4.320 nan 0.000 0.216 373 A C 1.838 179.487 177.584 0.107 0.000 1.195 373 A CA 3.184 55.243 52.037 0.038 0.000 0.622 373 A CB -0.964 18.092 19.000 0.093 0.000 0.831 373 A HN 0.260 8.264 8.150 -0.051 0.116 0.444 374 E N -1.232 119.045 120.200 0.129 0.000 2.160 374 E HA -0.277 nan 4.350 nan 0.000 0.195 374 E C 1.788 178.451 176.600 0.104 0.000 0.991 374 E CA 2.088 58.579 56.400 0.152 0.000 0.810 374 E CB -0.012 29.742 29.700 0.090 0.000 0.742 374 E HN -0.112 8.288 8.360 0.067 0.000 0.466 375 A N -1.916 120.956 122.820 0.086 0.000 1.911 375 A HA -0.087 nan 4.320 nan 0.000 0.212 375 A C 0.308 177.965 177.584 0.122 0.000 1.189 375 A CA 0.523 52.603 52.037 0.073 0.000 0.639 375 A CB 0.482 19.502 19.000 0.033 0.000 0.839 375 A HN -0.460 7.597 8.150 0.071 0.135 0.449 376 F N 1.428 121.359 119.950 -0.031 0.000 2.514 376 F HA -0.322 nan 4.527 nan 0.000 0.399 376 F C -1.103 174.686 175.800 -0.018 0.000 1.011 376 F CA 0.976 58.956 58.000 -0.033 0.000 1.109 376 F CB -0.198 38.776 39.000 -0.043 0.000 0.980 376 F HN -0.456 8.003 8.300 0.266 0.000 0.538 377 T N 6.135 120.733 114.554 0.073 0.000 2.933 377 T HA 0.416 nan 4.350 nan 0.000 0.305 377 T C -2.051 172.637 174.700 -0.020 0.000 1.092 377 T CA -1.672 60.497 62.100 0.115 0.000 1.008 377 T CB 3.400 72.302 68.868 0.056 0.000 1.102 377 T HN 0.768 8.899 8.240 -0.183 0.000 0.469 378 R N 1.738 122.272 120.500 0.057 0.000 2.540 378 R HA 0.695 nan 4.340 nan 0.000 0.287 378 R C -0.596 175.706 176.300 0.003 0.000 0.980 378 R CA -0.847 55.260 56.100 0.011 0.000 0.966 378 R CB 1.563 31.905 30.300 0.071 0.000 1.106 378 R HN 0.454 8.797 8.270 0.122 0.000 0.480 379 E N 2.401 122.592 120.200 -0.015 0.000 2.263 379 E HA 0.181 nan 4.350 nan 0.000 0.268 379 E C -1.526 175.067 176.600 -0.011 0.000 0.884 379 E CA -1.109 55.283 56.400 -0.013 0.000 0.766 379 E CB 3.450 33.135 29.700 -0.025 0.000 1.196 379 E HN 0.287 8.630 8.360 -0.028 0.000 0.416 380 E N 6.060 126.257 120.200 -0.004 0.000 2.159 380 E HA -0.099 nan 4.350 nan 0.000 0.272 380 E C -1.108 175.487 176.600 -0.008 0.000 1.138 380 E CA -0.180 56.218 56.400 -0.003 0.000 0.915 380 E CB -0.074 29.626 29.700 0.000 0.000 1.028 380 E HN 0.411 8.770 8.360 -0.002 0.000 0.423 381 L N 7.858 129.074 121.223 -0.011 0.000 2.418 381 L HA 0.208 nan 4.340 nan 0.000 0.274 381 L C 0.222 177.086 176.870 -0.010 0.000 1.135 381 L CA -2.075 52.756 54.840 -0.014 0.000 0.870 381 L CB -0.281 41.768 42.059 -0.016 0.000 1.154 381 L HN -0.219 8.005 8.230 -0.009 0.000 0.462 382 P HA -0.283 nan 4.420 nan 0.000 0.220 382 P C -0.682 176.615 177.300 -0.006 0.000 1.144 382 P CA 2.245 65.341 63.100 -0.008 0.000 0.808 382 P CB -0.333 31.361 31.700 -0.010 0.000 0.763 383 N N -3.960 114.736 118.700 -0.006 0.000 2.398 383 N HA -0.121 nan 4.740 nan 0.000 0.188 383 N C 0.877 176.387 175.510 -0.001 0.000 1.122 383 N CA -0.618 52.430 53.050 -0.004 0.000 0.866 383 N CB -0.167 38.318 38.487 -0.004 0.000 0.970 383 N HN -0.174 8.111 8.380 -0.008 0.090 0.462 384 G N 1.100 109.899 108.800 -0.002 0.000 2.938 384 G HA2 -0.305 nan 3.960 nan 0.000 0.234 384 G HA3 -0.305 nan 3.960 nan 0.000 0.234 384 G C -2.048 172.852 174.900 0.000 0.000 1.707 384 G CA -0.333 44.767 45.100 0.000 0.000 1.299 384 G HN 0.208 8.308 8.290 -0.003 0.188 0.515 385 E N 3.977 124.178 120.200 0.002 0.000 2.760 385 E HA -0.322 nan 4.350 nan 0.000 0.268 385 E C -0.402 176.197 176.600 -0.001 0.000 0.935 385 E CA 0.318 56.719 56.400 0.002 0.000 0.960 385 E CB 0.223 29.926 29.700 0.005 0.000 0.931 385 E HN 0.208 8.570 8.360 0.002 0.000 0.483 386 E N 2.177 122.377 120.200 -0.000 0.000 2.342 386 E HA 0.334 nan 4.350 nan 0.000 0.257 386 E C -0.721 175.872 176.600 -0.012 0.000 1.150 386 E CA -0.813 55.584 56.400 -0.005 0.000 0.926 386 E CB 1.290 30.991 29.700 0.001 0.000 1.074 386 E HN 0.104 8.466 8.360 0.003 0.000 0.449 387 R N -3.422 117.062 120.500 -0.026 0.000 2.621 387 R HA 0.508 nan 4.340 nan 0.000 0.284 387 R C -1.373 174.880 176.300 -0.078 0.000 0.998 387 R CA -1.617 54.457 56.100 -0.042 0.000 0.895 387 R CB 3.373 33.648 30.300 -0.042 0.000 1.195 387 R HN 0.230 8.485 8.270 -0.025 0.000 0.450 388 I N 3.723 124.221 120.570 -0.121 0.000 2.291 388 I HA 0.387 nan 4.170 nan 0.000 0.290 388 I C -1.084 174.878 176.117 -0.259 0.000 1.050 388 I CA -0.550 60.597 61.300 -0.255 0.000 1.245 388 I CB 0.101 37.885 38.000 -0.359 0.000 1.405 388 I HN -0.156 8.145 8.210 -0.095 -0.148 0.478 389 V N 8.216 127.990 119.914 -0.232 0.000 2.481 389 V HA 0.422 nan 4.120 nan 0.000 0.286 389 V C -1.142 174.832 176.094 -0.201 0.000 1.042 389 V CA -1.557 60.645 62.300 -0.165 0.000 0.928 389 V CB 1.306 33.067 31.823 -0.104 0.000 0.986 389 V HN 0.820 8.880 8.190 -0.218 0.000 0.462 390 L N 5.763 126.902 121.223 -0.139 0.000 2.288 390 L HA 0.315 nan 4.340 nan 0.000 0.283 390 L C -0.211 176.630 176.870 -0.048 0.000 1.072 390 L CA -0.921 53.860 54.840 -0.098 0.000 0.862 390 L CB -0.234 41.792 42.059 -0.055 0.000 1.245 390 L HN 0.652 8.720 8.230 -0.099 0.103 0.432 391 K N 5.846 126.221 120.400 -0.041 0.000 2.480 391 K HA -0.119 nan 4.320 nan 0.000 0.241 391 K C -1.061 175.522 176.600 -0.028 0.000 1.261 391 K CA -0.257 56.006 56.287 -0.039 0.000 1.193 391 K CB -1.654 30.826 32.500 -0.033 0.000 1.598 391 K HN -0.172 8.056 8.250 -0.036 0.000 0.278 392 L N 1.635 122.844 121.223 -0.023 0.000 2.417 392 L HA -0.006 nan 4.340 nan 0.000 0.268 392 L C 0.044 176.886 176.870 -0.047 0.000 1.158 392 L CA -0.284 54.549 54.840 -0.012 0.000 0.819 392 L CB 1.820 43.896 42.059 0.027 0.000 1.112 392 L HN -0.066 8.093 8.230 -0.023 0.058 0.458 393 K N 4.102 124.467 120.400 -0.058 0.000 2.382 393 K HA -0.033 nan 4.320 nan 0.000 0.286 393 K C -0.644 175.870 176.600 -0.143 0.000 1.062 393 K CA -1.342 54.874 56.287 -0.119 0.000 1.000 393 K CB -0.098 32.313 32.500 -0.149 0.000 0.954 393 K HN 0.265 8.492 8.250 -0.038 0.000 0.470 394 P HA -0.361 nan 4.420 nan 0.000 0.221 394 P C 1.464 178.669 177.300 -0.158 0.000 1.160 394 P CA 2.941 65.961 63.100 -0.134 0.000 0.933 394 P CB 0.061 31.682 31.700 -0.131 0.000 0.793 395 Q N -3.195 116.379 119.800 -0.376 0.000 2.376 395 Q HA -0.202 nan 4.340 nan 0.000 0.211 395 Q C 2.323 178.275 176.000 -0.080 0.000 0.986 395 Q CA 2.953 58.454 55.803 -0.502 0.000 0.886 395 Q CB -0.653 27.016 28.738 -1.782 0.000 0.927 395 Q HN 0.617 8.604 8.270 -0.471 0.000 0.457 396 L N -5.317 115.878 121.223 -0.047 0.000 2.766 396 L HA 0.103 nan 4.340 nan 0.000 0.242 396 L C -0.490 176.440 176.870 0.101 0.000 1.136 396 L CA -1.063 53.845 54.840 0.112 0.000 0.933 396 L CB -0.058 42.066 42.059 0.108 0.000 1.241 396 L HN 0.114 8.054 8.230 -0.148 0.201 0.522 397 A N 0.564 123.422 122.820 0.063 0.000 2.507 397 A HA 0.010 nan 4.320 nan 0.000 0.235 397 A C -1.480 176.166 177.584 0.103 0.000 1.070 397 A CA -0.736 51.352 52.037 0.084 0.000 0.768 397 A CB -0.130 18.907 19.000 0.060 0.000 1.011 397 A HN -0.366 7.665 8.150 0.020 0.130 0.502 398 P HA -0.108 nan 4.420 nan 0.000 0.219 398 P C -1.191 176.146 177.300 0.061 0.000 1.150 398 P CA 1.488 64.624 63.100 0.059 0.000 0.814 398 P CB 0.595 32.277 31.700 -0.031 0.000 0.787 399 I N -3.917 116.700 120.570 0.079 0.000 2.439 399 I HA 0.023 nan 4.170 nan 0.000 0.285 399 I C -0.826 175.370 176.117 0.131 0.000 1.021 399 I CA -0.883 60.482 61.300 0.108 0.000 1.091 399 I CB 1.709 39.787 38.000 0.130 0.000 1.242 399 I HN -0.659 7.588 8.210 0.082 0.013 0.439 400 K N 5.520 126.001 120.400 0.135 0.000 2.002 400 K HA -0.101 nan 4.320 nan 0.000 0.209 400 K C -0.854 175.874 176.600 0.213 0.000 1.048 400 K CA 2.702 59.088 56.287 0.164 0.000 0.930 400 K CB 0.440 33.038 32.500 0.162 0.000 0.714 400 K HN 0.315 8.641 8.250 0.126 0.000 0.438 401 V N -5.376 114.645 119.914 0.178 0.000 2.841 401 V HA 0.474 nan 4.120 nan 0.000 0.310 401 V C -2.046 174.105 176.094 0.094 0.000 1.090 401 V CA -1.830 60.569 62.300 0.166 0.000 0.930 401 V CB 3.616 35.524 31.823 0.140 0.000 1.014 401 V HN -0.845 7.435 8.190 0.149 0.000 0.425 402 A N 4.883 127.711 122.820 0.013 0.000 2.331 402 A HA 0.846 nan 4.320 nan 0.000 0.320 402 A C -2.175 175.337 177.584 -0.121 0.000 1.138 402 A CA -2.057 49.915 52.037 -0.109 0.000 0.790 402 A CB 2.355 21.051 19.000 -0.507 0.000 1.206 402 A HN 0.365 8.531 8.150 0.026 0.000 0.470 403 V N 3.741 123.592 119.914 -0.105 0.000 2.350 403 V HA 0.520 nan 4.120 nan 0.000 0.276 403 V C -1.161 174.780 176.094 -0.256 0.000 1.028 403 V CA -0.854 61.378 62.300 -0.112 0.000 0.860 403 V CB 0.384 32.200 31.823 -0.013 0.000 0.990 403 V HN 0.544 8.691 8.190 -0.072 0.000 0.453 404 I N 5.947 126.361 120.570 -0.259 0.000 2.389 404 I HA 0.525 nan 4.170 nan 0.000 0.288 404 I C -2.338 173.617 176.117 -0.271 0.000 0.999 404 I CA -3.486 57.619 61.300 -0.324 0.000 1.129 404 I CB 2.431 40.216 38.000 -0.359 0.000 1.288 404 I HN 0.622 8.711 8.210 -0.201 0.000 0.444 405 P HA 0.273 nan 4.420 nan 0.000 0.282 405 P C -0.117 177.064 177.300 -0.197 0.000 1.274 405 P CA -0.582 62.396 63.100 -0.203 0.000 0.770 405 P CB 0.317 31.922 31.700 -0.158 0.000 0.867 406 L N 5.529 126.633 121.223 -0.199 0.000 2.013 406 L HA -0.312 nan 4.340 nan 0.000 0.212 406 L C -0.584 176.203 176.870 -0.138 0.000 1.073 406 L CA 2.522 57.259 54.840 -0.171 0.000 0.753 406 L CB 0.315 42.274 42.059 -0.167 0.000 0.890 406 L HN 0.606 8.606 8.230 -0.209 0.105 0.432 407 V N -6.837 112.975 119.914 -0.170 0.000 2.656 407 V HA 0.185 nan 4.120 nan 0.000 0.307 407 V C -0.642 175.399 176.094 -0.088 0.000 1.051 407 V CA -1.938 60.302 62.300 -0.099 0.000 0.893 407 V CB 1.430 33.211 31.823 -0.070 0.000 0.999 407 V HN -0.597 7.448 8.190 -0.242 0.000 0.426 408 K N 2.038 122.416 120.400 -0.038 0.000 2.365 408 K HA -0.020 nan 4.320 nan 0.000 0.197 408 K C 0.300 176.907 176.600 0.011 0.000 1.042 408 K CA 1.317 57.596 56.287 -0.012 0.000 0.987 408 K CB -0.159 32.341 32.500 -0.000 0.000 0.779 408 K HN 0.348 8.582 8.250 -0.026 0.000 0.484 409 N N -2.645 116.067 118.700 0.020 0.000 2.047 409 N HA -0.241 nan 4.740 nan 0.000 0.193 409 N C 0.427 175.964 175.510 0.044 0.000 1.055 409 N CA 0.995 54.069 53.050 0.040 0.000 0.847 409 N CB -0.666 37.857 38.487 0.059 0.000 1.038 409 N HN -0.395 7.962 8.380 0.019 0.035 0.427 410 R N 2.505 123.038 120.500 0.055 0.000 2.633 410 R HA 0.114 nan 4.340 nan 0.000 0.357 410 R C -0.411 175.906 176.300 0.028 0.000 0.923 410 R CA -0.966 55.171 56.100 0.062 0.000 1.046 410 R CB -0.314 30.055 30.300 0.114 0.000 0.924 410 R HN 0.220 8.530 8.270 0.067 0.000 0.413 411 P HA -0.088 nan 4.420 nan 0.000 0.220 411 P C 0.946 178.277 177.300 0.050 0.000 1.148 411 P CA 2.284 65.410 63.100 0.043 0.000 0.803 411 P CB 0.120 31.843 31.700 0.039 0.000 0.782 412 E N -2.189 118.046 120.200 0.057 0.000 2.204 412 E HA -0.214 nan 4.350 nan 0.000 0.195 412 E C 2.321 178.971 176.600 0.084 0.000 0.990 412 E CA 2.928 59.372 56.400 0.074 0.000 0.821 412 E CB -1.016 28.736 29.700 0.087 0.000 0.750 412 E HN 0.738 9.098 8.360 0.060 0.037 0.477 413 I N -1.115 119.471 120.570 0.027 0.000 2.185 413 I HA -0.384 nan 4.170 nan 0.000 0.235 413 I C 1.423 177.589 176.117 0.083 0.000 1.069 413 I CA 3.615 64.906 61.300 -0.016 0.000 1.354 413 I CB 0.095 37.989 38.000 -0.176 0.000 1.093 413 I HN -0.220 7.844 8.210 0.010 0.151 0.411 414 T N -0.532 114.073 114.554 0.085 0.000 2.685 414 T HA -0.482 nan 4.350 nan 0.000 0.268 414 T C 1.918 176.725 174.700 0.178 0.000 1.034 414 T CA 4.342 66.555 62.100 0.187 0.000 1.149 414 T CB -1.037 67.939 68.868 0.179 0.000 0.860 414 T HN -0.454 7.813 8.240 0.046 0.000 0.449 415 E N 1.835 122.096 120.200 0.103 0.000 2.049 415 E HA -0.431 nan 4.350 nan 0.000 0.198 415 E C 1.648 178.298 176.600 0.082 0.000 1.007 415 E CA 3.858 60.291 56.400 0.056 0.000 0.809 415 E CB -0.342 29.380 29.700 0.036 0.000 0.749 415 E HN -0.131 8.275 8.360 0.088 0.007 0.450 416 Y N -0.066 120.252 120.300 0.029 0.000 2.114 416 Y HA -0.465 nan 4.550 nan 0.000 0.282 416 Y C 1.612 177.543 175.900 0.051 0.000 1.165 416 Y CA 3.021 61.137 58.100 0.027 0.000 1.148 416 Y CB -0.456 38.009 38.460 0.009 0.000 0.972 416 Y HN -0.738 7.680 8.280 0.229 0.000 0.504 417 A N -1.835 121.194 122.820 0.349 0.000 1.841 417 A HA -0.469 nan 4.320 nan 0.000 0.216 417 A C 1.966 179.746 177.584 0.327 0.000 1.199 417 A CA 3.402 55.631 52.037 0.320 0.000 0.621 417 A CB -0.845 18.339 19.000 0.307 0.000 0.835 417 A HN 0.130 8.393 8.150 0.317 0.077 0.445 418 K N -1.674 118.895 120.400 0.283 0.000 2.113 418 K HA -0.421 nan 4.320 nan 0.000 0.208 418 K C 2.681 179.293 176.600 0.021 0.000 1.047 418 K CA 3.506 59.813 56.287 0.033 0.000 0.928 418 K CB -0.155 32.214 32.500 -0.218 0.000 0.716 418 K HN 0.151 8.474 8.250 0.298 0.106 0.446 419 R N -0.804 119.693 120.500 -0.005 0.000 2.070 419 R HA -0.316 nan 4.340 nan 0.000 0.232 419 R C 2.443 178.717 176.300 -0.043 0.000 1.138 419 R CA 3.346 59.404 56.100 -0.071 0.000 0.936 419 R CB -0.198 29.991 30.300 -0.186 0.000 0.839 419 R HN 0.142 8.225 8.270 0.015 0.197 0.429 420 L N -0.367 120.851 121.223 -0.007 0.000 2.013 420 L HA -0.401 nan 4.340 nan 0.000 0.212 420 L C 1.110 178.017 176.870 0.061 0.000 1.073 420 L CA 3.230 58.100 54.840 0.050 0.000 0.753 420 L CB -0.545 41.612 42.059 0.163 0.000 0.890 420 L HN 0.286 8.411 8.230 0.009 0.110 0.432 421 K N -1.133 119.324 120.400 0.096 0.000 2.015 421 K HA -0.542 nan 4.320 nan 0.000 0.216 421 K C 1.910 178.547 176.600 0.061 0.000 1.052 421 K CA 3.576 59.923 56.287 0.101 0.000 0.937 421 K CB -0.208 32.385 32.500 0.155 0.000 0.719 421 K HN 0.212 8.540 8.250 0.130 0.000 0.446 422 A N -1.776 121.067 122.820 0.037 0.000 1.883 422 A HA -0.329 nan 4.320 nan 0.000 0.217 422 A C 2.081 179.675 177.584 0.016 0.000 1.186 422 A CA 3.080 55.128 52.037 0.019 0.000 0.624 422 A CB -1.020 17.979 19.000 -0.003 0.000 0.822 422 A HN -0.462 7.708 8.150 0.033 0.000 0.444 423 R N -1.078 119.427 120.500 0.007 0.000 2.094 423 R HA -0.342 nan 4.340 nan 0.000 0.239 423 R C 2.483 178.793 176.300 0.016 0.000 1.137 423 R CA 3.232 59.334 56.100 0.004 0.000 0.943 423 R CB -0.021 30.276 30.300 -0.005 0.000 0.850 423 R HN -0.542 7.662 8.270 0.002 0.068 0.433 424 L N -3.319 117.920 121.223 0.027 0.000 2.141 424 L HA -0.247 nan 4.340 nan 0.000 0.209 424 L C 3.077 179.974 176.870 0.044 0.000 1.094 424 L CA 2.489 57.349 54.840 0.034 0.000 0.763 424 L CB -0.099 41.983 42.059 0.040 0.000 0.908 424 L HN -0.050 8.198 8.230 0.031 0.000 0.437 425 L N 0.688 121.939 121.223 0.046 0.000 2.046 425 L HA -0.342 nan 4.340 nan 0.000 0.208 425 L C 1.535 178.432 176.870 0.045 0.000 1.077 425 L CA 3.029 57.900 54.840 0.052 0.000 0.747 425 L CB -0.299 41.788 42.059 0.048 0.000 0.896 425 L HN 0.114 8.278 8.230 0.044 0.092 0.432 426 A N -2.245 120.595 122.820 0.033 0.000 2.076 426 A HA -0.255 nan 4.320 nan 0.000 0.220 426 A C 1.963 179.567 177.584 0.033 0.000 1.160 426 A CA 2.613 54.667 52.037 0.028 0.000 0.653 426 A CB -0.888 18.123 19.000 0.017 0.000 0.801 426 A HN 0.032 8.198 8.150 0.029 0.002 0.455 427 L N -4.438 116.807 121.223 0.037 0.000 2.265 427 L HA -0.352 nan 4.340 nan 0.000 0.215 427 L C 0.630 177.532 176.870 0.053 0.000 1.117 427 L CA 0.714 55.578 54.840 0.040 0.000 0.782 427 L CB -0.004 42.079 42.059 0.041 0.000 0.914 427 L HN -0.624 7.442 8.230 0.037 0.186 0.441 428 G N -3.190 105.646 108.800 0.060 0.000 2.246 428 G HA2 -0.353 nan 3.960 nan 0.000 0.273 428 G HA3 -0.353 nan 3.960 nan 0.000 0.273 428 G C 0.167 175.124 174.900 0.095 0.000 1.055 428 G CA 1.003 46.147 45.100 0.073 0.000 0.851 428 G HN 0.026 8.190 8.290 0.057 0.159 0.500 429 L N -3.004 118.277 121.223 0.096 0.000 2.554 429 L HA 0.117 nan 4.340 nan 0.000 0.225 429 L C -1.096 175.855 176.870 0.135 0.000 1.104 429 L CA -0.261 54.648 54.840 0.115 0.000 0.866 429 L CB 0.437 42.554 42.059 0.096 0.000 1.047 429 L HN -0.189 8.076 8.230 0.083 0.015 0.468 430 G N -4.428 104.446 108.800 0.122 0.000 2.339 430 G HA2 -0.260 nan 3.960 nan 0.000 0.381 430 G HA3 -0.260 nan 3.960 nan 0.000 0.381 430 G C -2.276 172.690 174.900 0.110 0.000 1.400 430 G CA -0.880 44.298 45.100 0.129 0.000 1.002 430 G HN -0.964 7.349 8.290 0.106 0.041 0.633 431 R N -0.363 120.200 120.500 0.106 0.000 2.513 431 R HA -0.198 nan 4.340 nan 0.000 0.333 431 R C -0.651 175.710 176.300 0.102 0.000 0.925 431 R CA 0.798 56.955 56.100 0.094 0.000 1.072 431 R CB -0.011 30.341 30.300 0.086 0.000 0.914 431 R HN 0.125 8.463 8.270 0.113 0.000 0.408 432 V N 4.775 124.747 119.914 0.096 0.000 2.863 432 V HA 0.494 nan 4.120 nan 0.000 0.307 432 V C -0.644 175.513 176.094 0.106 0.000 1.061 432 V CA -0.852 61.508 62.300 0.100 0.000 1.024 432 V CB 1.526 33.402 31.823 0.088 0.000 1.049 432 V HN -0.111 8.131 8.190 0.087 0.000 0.471 433 L N 3.582 124.874 121.223 0.115 0.000 2.371 433 L HA 0.533 nan 4.340 nan 0.000 0.262 433 L C -2.601 174.357 176.870 0.146 0.000 1.006 433 L CA -1.262 53.659 54.840 0.135 0.000 0.818 433 L CB 5.184 47.335 42.059 0.153 0.000 1.354 433 L HN 0.667 8.959 8.230 0.103 0.000 0.415 434 Y N 4.087 124.413 120.300 0.042 0.000 2.342 434 Y HA 0.422 nan 4.550 nan 0.000 0.338 434 Y C -1.902 174.017 175.900 0.031 0.000 0.965 434 Y CA -1.862 56.252 58.100 0.025 0.000 1.159 434 Y CB 1.179 39.651 38.460 0.020 0.000 1.157 434 Y HN 0.131 8.569 8.280 0.265 0.000 0.486 435 E N 9.238 129.211 120.200 -0.380 0.000 2.114 435 E HA 0.099 nan 4.350 nan 0.000 0.266 435 E C -1.391 174.959 176.600 -0.417 0.000 0.896 435 E CA -1.637 54.622 56.400 -0.235 0.000 0.750 435 E CB 1.786 31.433 29.700 -0.090 0.000 1.121 435 E HN 0.112 8.185 8.360 -0.477 0.000 0.413 436 D N 2.005 122.270 120.400 -0.226 0.000 2.424 436 D HA 0.053 nan 4.640 nan 0.000 0.220 436 D C 0.073 176.345 176.300 -0.048 0.000 1.150 436 D CA -0.197 53.718 54.000 -0.142 0.000 0.831 436 D CB -0.176 40.681 40.800 0.095 0.000 0.981 436 D HN 0.142 8.489 8.370 -0.039 0.000 0.500 437 T N 1.362 115.894 114.554 -0.037 0.000 2.932 437 T HA -0.035 nan 4.350 nan 0.000 0.312 437 T C 1.316 176.000 174.700 -0.028 0.000 1.071 437 T CA 0.981 63.077 62.100 -0.007 0.000 1.128 437 T CB 0.572 69.449 68.868 0.015 0.000 0.984 437 T HN -0.426 7.700 8.240 -0.050 0.085 0.549 438 G N 2.652 111.446 108.800 -0.011 0.000 2.121 438 G HA2 -0.377 nan 3.960 nan 0.000 0.662 438 G HA3 -0.377 nan 3.960 nan 0.000 0.662 438 G C -0.327 174.555 174.900 -0.029 0.000 1.317 438 G CA 0.204 45.295 45.100 -0.016 0.000 1.197 438 G HN 0.139 8.431 8.290 0.002 0.000 0.642 439 N N -0.192 118.498 118.700 -0.017 0.000 1.552 439 N HA -0.309 nan 4.740 nan 0.000 0.336 439 N C 1.378 176.866 175.510 -0.036 0.000 1.263 439 N CA 0.316 53.356 53.050 -0.016 0.000 0.849 439 N CB 0.054 38.543 38.487 0.003 0.000 1.118 439 N HN -0.083 8.293 8.380 -0.007 0.000 0.503 440 I N 6.416 126.943 120.570 -0.071 0.000 2.227 440 I HA -0.452 nan 4.170 nan 0.000 0.250 440 I C 0.769 176.822 176.117 -0.106 0.000 1.087 440 I CA 2.227 63.436 61.300 -0.151 0.000 1.352 440 I CB 0.049 37.949 38.000 -0.166 0.000 1.043 440 I HN 0.507 8.680 8.210 -0.062 0.000 0.425 441 G N -1.641 107.171 108.800 0.021 0.000 2.446 441 G HA2 -0.410 nan 3.960 nan 0.000 0.217 441 G HA3 -0.410 nan 3.960 nan 0.000 0.217 441 G C 1.170 176.136 174.900 0.110 0.000 1.168 441 G CA 2.131 47.303 45.100 0.119 0.000 0.771 441 G HN -0.570 7.895 8.290 0.014 -0.168 0.551 442 K N 2.267 122.700 120.400 0.055 0.000 2.103 442 K HA -0.293 nan 4.320 nan 0.000 0.207 442 K C 2.058 178.702 176.600 0.072 0.000 1.048 442 K CA 2.499 58.819 56.287 0.055 0.000 0.930 442 K CB -0.302 32.217 32.500 0.031 0.000 0.716 442 K HN -0.109 8.083 8.250 0.033 0.078 0.444 443 A N -0.414 122.423 122.820 0.028 0.000 1.841 443 A HA -0.273 nan 4.320 nan 0.000 0.216 443 A C 2.211 179.900 177.584 0.174 0.000 1.199 443 A CA 3.230 55.296 52.037 0.048 0.000 0.621 443 A CB -1.027 17.884 19.000 -0.147 0.000 0.835 443 A HN -0.501 7.534 8.150 -0.020 0.103 0.445 444 Y N -1.203 119.135 120.300 0.063 0.000 2.062 444 Y HA -0.464 nan 4.550 nan 0.000 0.276 444 Y C 2.371 178.325 175.900 0.090 0.000 1.189 444 Y CA 2.826 60.958 58.100 0.053 0.000 1.130 444 Y CB -0.752 37.716 38.460 0.013 0.000 0.959 444 Y HN -0.356 7.868 8.280 -0.094 0.000 0.499 445 R N -1.910 118.733 120.500 0.240 0.000 2.113 445 R HA -0.397 nan 4.340 nan 0.000 0.231 445 R C 2.179 178.544 176.300 0.109 0.000 1.129 445 R CA 1.991 58.172 56.100 0.134 0.000 0.915 445 R CB -0.762 29.590 30.300 0.087 0.000 0.837 445 R HN -0.175 8.241 8.270 0.236 -0.005 0.430 446 R N -1.228 119.327 120.500 0.092 0.000 2.159 446 R HA -0.404 nan 4.340 nan 0.000 0.252 446 R C 2.560 178.826 176.300 -0.057 0.000 1.144 446 R CA 3.072 59.174 56.100 0.003 0.000 0.961 446 R CB -0.645 29.631 30.300 -0.039 0.000 0.877 446 R HN 0.125 8.457 8.270 0.105 0.000 0.444 447 H N -3.415 115.690 119.070 0.057 0.000 2.491 447 H HA -0.118 nan 4.556 nan 0.000 0.290 447 H C 2.171 177.526 175.328 0.046 0.000 1.050 447 H CA 3.503 59.585 56.048 0.058 0.000 1.309 447 H CB -0.332 29.472 29.762 0.071 0.000 1.392 447 H HN -0.284 8.174 8.280 0.310 0.009 0.554 448 D N -0.035 120.437 120.400 0.120 0.000 2.149 448 D HA -0.080 nan 4.640 nan 0.000 0.206 448 D C 3.043 179.343 176.300 0.000 0.000 0.967 448 D CA 3.292 57.317 54.000 0.042 0.000 0.848 448 D CB -0.016 40.792 40.800 0.013 0.000 0.998 448 D HN 0.319 8.611 8.370 0.140 0.162 0.474 449 E N -0.067 120.131 120.200 -0.003 0.000 2.160 449 E HA -0.257 nan 4.350 nan 0.000 0.195 449 E C 1.851 178.477 176.600 0.044 0.000 0.991 449 E CA 2.820 59.203 56.400 -0.030 0.000 0.810 449 E CB 0.123 29.816 29.700 -0.012 0.000 0.742 449 E HN 0.004 8.375 8.360 0.018 0.000 0.466 450 V N -10.088 109.880 119.914 0.091 0.000 3.596 450 V HA 0.400 nan 4.120 nan 0.000 0.289 450 V C -0.021 176.177 176.094 0.174 0.000 1.336 450 V CA -1.769 60.665 62.300 0.223 0.000 1.137 450 V CB -1.033 30.826 31.823 0.060 0.000 0.966 450 V HN -0.369 7.740 8.190 0.038 0.104 0.428 451 G N 0.589 109.441 108.800 0.087 0.000 2.371 451 G HA2 -0.386 nan 3.960 nan 0.000 0.299 451 G HA3 -0.386 nan 3.960 nan 0.000 0.299 451 G C -0.507 174.425 174.900 0.053 0.000 1.014 451 G CA 0.951 46.082 45.100 0.052 0.000 1.097 451 G HN -0.075 8.012 8.290 0.057 0.238 0.512 452 T N -0.351 114.256 114.554 0.088 0.000 2.723 452 T HA 0.379 nan 4.350 nan 0.000 0.297 452 T C -0.851 173.856 174.700 0.012 0.000 0.925 452 T CA -3.285 58.876 62.100 0.102 0.000 1.030 452 T CB 0.445 69.459 68.868 0.243 0.000 0.905 452 T HN -0.006 8.197 8.240 0.117 0.107 0.502 453 P HA -0.288 nan 4.420 nan 0.000 0.222 453 P C -0.901 175.974 177.300 -0.710 0.000 1.155 453 P CA 2.340 65.171 63.100 -0.448 0.000 0.890 453 P CB 0.399 31.838 31.700 -0.435 0.000 0.790 454 F N -5.105 114.891 119.950 0.076 0.000 2.608 454 F HA 0.290 nan 4.527 nan 0.000 0.309 454 F C -2.485 173.329 175.800 0.024 0.000 1.103 454 F CA -1.403 56.633 58.000 0.060 0.000 0.954 454 F CB 3.963 43.006 39.000 0.073 0.000 1.267 454 F HN -0.752 7.640 8.300 0.153 0.000 0.444 455 A N 2.251 125.195 122.820 0.207 0.000 2.360 455 A HA 0.661 nan 4.320 nan 0.000 0.309 455 A C -1.653 175.973 177.584 0.070 0.000 1.311 455 A CA -1.247 50.834 52.037 0.073 0.000 0.805 455 A CB 0.872 19.917 19.000 0.075 0.000 1.144 455 A HN 0.388 8.682 8.150 0.239 0.000 0.486 456 V N 5.386 125.305 119.914 0.007 0.000 2.614 456 V HA 0.302 nan 4.120 nan 0.000 0.291 456 V C -1.069 174.989 176.094 -0.061 0.000 1.049 456 V CA 0.141 62.423 62.300 -0.030 0.000 1.038 456 V CB 0.689 32.487 31.823 -0.041 0.000 0.980 456 V HN 0.333 8.526 8.190 0.005 0.000 0.481 457 T N 7.126 121.643 114.554 -0.061 0.000 2.840 457 T HA 0.509 nan 4.350 nan 0.000 0.287 457 T C -0.948 173.685 174.700 -0.111 0.000 0.991 457 T CA -1.564 60.474 62.100 -0.103 0.000 0.964 457 T CB 1.723 70.519 68.868 -0.120 0.000 0.954 457 T HN -0.109 7.999 8.240 -0.045 0.105 0.438 458 V N 9.020 128.853 119.914 -0.136 0.000 2.567 458 V HA 0.674 nan 4.120 nan 0.000 0.289 458 V C -1.755 174.212 176.094 -0.210 0.000 1.049 458 V CA -1.223 60.968 62.300 -0.182 0.000 0.969 458 V CB 0.857 32.596 31.823 -0.140 0.000 0.995 458 V HN 0.476 8.583 8.190 -0.140 0.000 0.471 459 D N 4.251 124.503 120.400 -0.248 0.000 2.665 459 D HA 0.168 nan 4.640 nan 0.000 0.287 459 D C -0.049 176.109 176.300 -0.237 0.000 1.266 459 D CA -1.308 52.537 54.000 -0.259 0.000 0.830 459 D CB 2.258 42.976 40.800 -0.137 0.000 1.356 459 D HN 0.254 8.455 8.370 -0.282 0.000 0.437 460 Y N -0.315 119.937 120.300 -0.080 0.000 2.096 460 Y HA -0.568 nan 4.550 nan 0.000 0.276 460 Y C 1.702 177.555 175.900 -0.080 0.000 1.209 460 Y CA 4.380 62.441 58.100 -0.064 0.000 1.137 460 Y CB -0.680 37.756 38.460 -0.041 0.000 0.956 460 Y HN 0.367 8.366 8.280 -0.468 0.000 0.506 461 D N -3.220 117.221 120.400 0.069 0.000 2.097 461 D HA -0.225 nan 4.640 nan 0.000 0.195 461 D C 1.844 178.099 176.300 -0.075 0.000 0.989 461 D CA 3.688 57.689 54.000 0.001 0.000 0.827 461 D CB -0.541 40.254 40.800 -0.008 0.000 0.966 461 D HN 0.111 8.594 8.370 0.082 -0.064 0.456 462 T N 0.591 115.044 114.554 -0.168 0.000 2.699 462 T HA -0.267 nan 4.350 nan 0.000 0.268 462 T C 2.213 176.707 174.700 -0.343 0.000 1.036 462 T CA 3.437 65.345 62.100 -0.319 0.000 1.147 462 T CB -0.285 68.248 68.868 -0.558 0.000 0.862 462 T HN -0.486 7.866 8.240 -0.160 -0.207 0.446 463 I N 0.115 120.525 120.570 -0.267 0.000 2.076 463 I HA -0.626 nan 4.170 nan 0.000 0.237 463 I C 1.003 177.139 176.117 0.032 0.000 1.059 463 I CA 3.331 64.588 61.300 -0.072 0.000 1.317 463 I CB 0.231 38.239 38.000 0.013 0.000 1.037 463 I HN -0.370 7.614 8.210 -0.241 0.080 0.398 464 G N -6.493 102.323 108.800 0.027 0.000 3.302 464 G HA2 -0.146 nan 3.960 nan 0.000 0.216 464 G HA3 -0.146 nan 3.960 nan 0.000 0.216 464 G C -0.792 174.133 174.900 0.041 0.000 1.008 464 G CA -0.215 44.906 45.100 0.035 0.000 0.852 464 G HN -0.246 8.060 8.290 0.026 0.000 0.485 465 Q N 3.482 123.325 119.800 0.072 0.000 2.566 465 Q HA 0.146 nan 4.340 nan 0.000 0.221 465 Q C -1.297 174.731 176.000 0.047 0.000 1.195 465 Q CA -2.034 53.804 55.803 0.058 0.000 0.967 465 Q CB -0.926 27.850 28.738 0.063 0.000 1.337 465 Q HN -0.212 8.116 8.270 0.097 0.000 0.553 466 S N 2.952 118.661 115.700 0.016 0.000 2.713 466 S HA 0.230 nan 4.470 nan 0.000 0.283 466 S C 1.129 175.707 174.600 -0.036 0.000 1.161 466 S CA -1.766 56.433 58.200 -0.002 0.000 0.999 466 S CB 2.464 65.666 63.200 0.003 0.000 1.039 466 S HN -0.383 7.901 8.310 0.012 0.034 0.548 467 K N 1.540 121.913 120.400 -0.046 0.000 1.965 467 K HA -0.302 nan 4.320 nan 0.000 0.218 467 K C 0.443 177.023 176.600 -0.035 0.000 1.048 467 K CA 2.723 58.978 56.287 -0.052 0.000 0.960 467 K CB -0.784 31.688 32.500 -0.047 0.000 0.732 467 K HN 0.610 8.838 8.250 -0.036 0.000 0.444 468 D N -2.017 118.369 120.400 -0.024 0.000 2.390 468 D HA -0.120 nan 4.640 nan 0.000 0.235 468 D C 1.116 177.406 176.300 -0.016 0.000 1.040 468 D CA -0.275 53.714 54.000 -0.018 0.000 0.923 468 D CB -1.358 39.434 40.800 -0.014 0.000 0.886 468 D HN -0.326 8.031 8.370 -0.023 0.000 0.532 469 G N 0.927 109.717 108.800 -0.017 0.000 2.562 469 G HA2 -0.488 nan 3.960 nan 0.000 0.241 469 G HA3 -0.488 nan 3.960 nan 0.000 0.241 469 G C 0.212 175.108 174.900 -0.007 0.000 1.120 469 G CA 1.279 46.372 45.100 -0.012 0.000 0.673 469 G HN -0.463 7.577 8.290 -0.021 0.237 0.519 470 T N 2.819 117.368 114.554 -0.008 0.000 2.709 470 T HA -0.134 nan 4.350 nan 0.000 0.345 470 T C 0.091 174.787 174.700 -0.008 0.000 1.086 470 T CA 1.278 63.374 62.100 -0.008 0.000 1.084 470 T CB 0.507 69.369 68.868 -0.010 0.000 1.000 470 T HN -0.385 7.762 8.240 -0.009 0.087 0.549 471 T N -5.057 109.491 114.554 -0.010 0.000 3.269 471 T HA 0.265 nan 4.350 nan 0.000 0.269 471 T C -0.147 174.537 174.700 -0.027 0.000 0.993 471 T CA -0.547 61.545 62.100 -0.013 0.000 0.909 471 T CB -0.211 68.652 68.868 -0.008 0.000 1.115 471 T HN -0.038 8.196 8.240 -0.010 0.000 0.543 472 R N 1.942 122.426 120.500 -0.027 0.000 2.082 472 R HA -0.200 nan 4.340 nan 0.000 0.228 472 R C 0.420 176.689 176.300 -0.051 0.000 1.140 472 R CA 2.128 58.207 56.100 -0.035 0.000 0.920 472 R CB -0.615 29.671 30.300 -0.024 0.000 0.828 472 R HN 0.122 8.304 8.270 -0.020 0.076 0.430 473 L N -2.212 118.985 121.223 -0.043 0.000 2.552 473 L HA -0.004 nan 4.340 nan 0.000 0.227 473 L C -0.914 175.915 176.870 -0.068 0.000 1.146 473 L CA -0.486 54.322 54.840 -0.052 0.000 0.858 473 L CB -0.175 41.862 42.059 -0.037 0.000 0.969 473 L HN -0.214 7.997 8.230 -0.032 0.000 0.451 474 K N -1.226 119.139 120.400 -0.058 0.000 2.530 474 K HA -0.405 nan 4.320 nan 0.000 0.280 474 K C -0.576 175.982 176.600 -0.069 0.000 1.004 474 K CA 1.680 57.934 56.287 -0.054 0.000 1.071 474 K CB -0.087 32.400 32.500 -0.022 0.000 0.876 474 K HN -0.768 7.398 8.250 -0.046 0.056 0.487 475 D N 1.208 121.577 120.400 -0.051 0.000 3.103 475 D HA -0.340 nan 4.640 nan 0.000 0.211 475 D C -1.992 174.332 176.300 0.039 0.000 1.100 475 D CA 1.221 55.246 54.000 0.041 0.000 0.961 475 D CB -0.652 40.152 40.800 0.006 0.000 1.093 475 D HN 0.531 8.692 8.370 -0.102 0.148 0.427 476 T N -9.057 105.472 114.554 -0.041 0.000 2.841 476 T HA 0.826 nan 4.350 nan 0.000 0.283 476 T C -1.468 173.199 174.700 -0.055 0.000 1.000 476 T CA -1.949 60.146 62.100 -0.008 0.000 0.977 476 T CB 3.047 71.900 68.868 -0.025 0.000 0.979 476 T HN -0.437 7.710 8.240 -0.092 0.038 0.446 477 V N -2.486 117.406 119.914 -0.038 0.000 3.181 477 V HA 0.800 nan 4.120 nan 0.000 0.314 477 V C -1.196 174.862 176.094 -0.061 0.000 1.173 477 V CA -3.316 58.944 62.300 -0.066 0.000 1.052 477 V CB 2.984 34.771 31.823 -0.060 0.000 1.123 477 V HN 0.898 9.084 8.190 -0.007 0.000 0.454 478 T N -2.290 112.229 114.554 -0.057 0.000 2.864 478 T HA 0.444 nan 4.350 nan 0.000 0.310 478 T C -1.048 173.630 174.700 -0.037 0.000 1.040 478 T CA -1.630 60.445 62.100 -0.042 0.000 0.977 478 T CB 0.120 68.985 68.868 -0.005 0.000 0.976 478 T HN -0.128 8.077 8.240 -0.058 0.000 0.459 479 V N 6.242 126.094 119.914 -0.104 0.000 2.389 479 V HA 0.302 nan 4.120 nan 0.000 0.264 479 V C -2.297 173.797 176.094 0.000 0.000 1.049 479 V CA -1.911 60.325 62.300 -0.106 0.000 0.932 479 V CB 1.042 32.625 31.823 -0.400 0.000 1.011 479 V HN 0.261 8.362 8.190 -0.149 0.000 0.475 480 R N 9.573 130.129 120.500 0.093 0.000 2.215 480 R HA 0.344 nan 4.340 nan 0.000 0.337 480 R C -0.664 175.687 176.300 0.083 0.000 1.010 480 R CA -1.209 54.920 56.100 0.048 0.000 0.871 480 R CB 1.218 31.473 30.300 -0.075 0.000 1.134 480 R HN 0.252 8.605 8.270 0.138 0.000 0.477 481 D N 8.623 129.090 120.400 0.113 0.000 2.451 481 D HA -0.153 nan 4.640 nan 0.000 0.254 481 D C -0.106 176.155 176.300 -0.064 0.000 1.204 481 D CA 0.710 54.755 54.000 0.076 0.000 0.896 481 D CB 1.328 42.212 40.800 0.140 0.000 1.136 481 D HN 0.186 8.623 8.370 0.112 0.000 0.499 482 R N 7.016 127.427 120.500 -0.149 0.000 2.122 482 R HA -0.538 nan 4.340 nan 0.000 0.236 482 R C 1.868 178.107 176.300 -0.101 0.000 1.129 482 R CA 3.805 59.829 56.100 -0.125 0.000 0.925 482 R CB 0.018 30.221 30.300 -0.160 0.000 0.850 482 R HN 0.006 8.120 8.270 -0.260 0.000 0.431 483 D N -2.492 117.843 120.400 -0.109 0.000 2.081 483 D HA -0.200 nan 4.640 nan 0.000 0.194 483 D C 1.548 177.814 176.300 -0.056 0.000 0.986 483 D CA 2.871 56.825 54.000 -0.076 0.000 0.837 483 D CB -0.427 40.329 40.800 -0.073 0.000 0.985 483 D HN -0.250 8.144 8.370 -0.148 -0.112 0.448 484 T N -5.945 108.584 114.554 -0.041 0.000 3.051 484 T HA -0.197 nan 4.350 nan 0.000 0.269 484 T C 1.536 176.216 174.700 -0.033 0.000 1.127 484 T CA 0.898 62.984 62.100 -0.024 0.000 1.107 484 T CB -0.023 68.847 68.868 0.003 0.000 0.898 484 T HN -0.531 7.824 8.240 -0.040 -0.139 0.517 485 M N -3.401 116.166 119.600 -0.054 0.000 2.835 485 M HA -0.414 nan 4.480 nan 0.000 0.177 485 M C -1.044 175.213 176.300 -0.071 0.000 0.640 485 M CA 1.634 56.881 55.300 -0.087 0.000 0.635 485 M CB -1.540 31.005 32.600 -0.092 0.000 2.307 485 M HN -0.057 8.136 8.290 -0.059 0.061 0.400 486 E N -0.974 119.212 120.200 -0.022 0.000 2.360 486 E HA -0.078 nan 4.350 nan 0.000 0.269 486 E C -0.779 175.821 176.600 -0.001 0.000 1.022 486 E CA -0.242 56.158 56.400 -0.000 0.000 0.887 486 E CB 0.452 30.176 29.700 0.040 0.000 0.990 486 E HN -0.827 7.455 8.360 -0.006 0.074 0.426 487 Q N 1.796 121.589 119.800 -0.012 0.000 2.413 487 Q HA 0.506 nan 4.340 nan 0.000 0.258 487 Q C -0.617 175.382 176.000 -0.001 0.000 1.037 487 Q CA -1.042 54.753 55.803 -0.013 0.000 0.764 487 Q CB 0.730 29.450 28.738 -0.029 0.000 1.217 487 Q HN 0.248 8.510 8.270 -0.013 0.000 0.490 488 I N 1.901 122.467 120.570 -0.006 0.000 2.392 488 I HA 0.306 nan 4.170 nan 0.000 0.295 488 I C -1.555 174.537 176.117 -0.043 0.000 0.985 488 I CA -1.374 59.918 61.300 -0.012 0.000 1.221 488 I CB 1.712 39.713 38.000 0.002 0.000 1.366 488 I HN -0.071 8.132 8.210 -0.011 0.000 0.467 489 R N 5.674 126.159 120.500 -0.025 0.000 2.221 489 R HA 0.537 nan 4.340 nan 0.000 0.327 489 R C -0.897 175.387 176.300 -0.027 0.000 1.033 489 R CA -0.038 56.043 56.100 -0.031 0.000 0.887 489 R CB 0.490 30.780 30.300 -0.017 0.000 1.057 489 R HN 0.146 8.410 8.270 -0.009 0.000 0.455 490 L N 1.815 123.012 121.223 -0.042 0.000 2.376 490 L HA 0.518 nan 4.340 nan 0.000 0.258 490 L C -1.827 175.074 176.870 0.052 0.000 1.013 490 L CA -2.167 52.670 54.840 -0.006 0.000 0.822 490 L CB 3.091 45.123 42.059 -0.044 0.000 1.388 490 L HN 0.739 8.929 8.230 -0.067 0.000 0.413 491 H N 0.580 119.633 119.070 -0.027 0.000 2.732 491 H HA -0.010 nan 4.556 nan 0.000 0.351 491 H C 1.384 176.709 175.328 -0.005 0.000 1.090 491 H CA -0.011 56.032 56.048 -0.009 0.000 1.431 491 H CB 1.378 31.143 29.762 0.005 0.000 1.447 491 H HN 0.040 8.420 8.280 0.166 0.000 0.582 492 V N 6.523 126.583 119.914 0.244 0.000 2.250 492 V HA -0.638 nan 4.120 nan 0.000 0.253 492 V C 1.785 177.764 176.094 -0.191 0.000 1.065 492 V CA 4.432 66.756 62.300 0.040 0.000 1.039 492 V CB -0.603 31.326 31.823 0.175 0.000 0.647 492 V HN 0.315 8.847 8.190 0.570 0.000 0.446 493 D N -2.638 117.434 120.400 -0.546 0.000 2.190 493 D HA -0.299 nan 4.640 nan 0.000 0.200 493 D C 2.660 178.807 176.300 -0.254 0.000 0.992 493 D CA 3.069 56.828 54.000 -0.401 0.000 0.854 493 D CB -0.781 39.708 40.800 -0.518 0.000 0.936 493 D HN -0.457 7.298 8.370 -1.024 0.000 0.462 494 E N -0.793 119.245 120.200 -0.271 0.000 2.072 494 E HA -0.179 nan 4.350 nan 0.000 0.190 494 E C 2.382 178.957 176.600 -0.041 0.000 0.982 494 E CA 1.943 58.284 56.400 -0.098 0.000 0.803 494 E CB -0.088 29.588 29.700 -0.040 0.000 0.755 494 E HN -0.375 7.605 8.360 -0.438 0.117 0.453 495 L N 0.109 121.285 121.223 -0.078 0.000 2.129 495 L HA -0.400 nan 4.340 nan 0.000 0.212 495 L C 1.814 178.663 176.870 -0.034 0.000 1.087 495 L CA 3.148 57.934 54.840 -0.090 0.000 0.757 495 L CB -0.143 41.846 42.059 -0.116 0.000 0.896 495 L HN -0.060 8.020 8.230 -0.108 0.085 0.434 496 E N -1.735 118.445 120.200 -0.033 0.000 2.051 496 E HA -0.391 nan 4.350 nan 0.000 0.192 496 E C 2.612 179.218 176.600 0.011 0.000 0.991 496 E CA 3.277 59.669 56.400 -0.013 0.000 0.799 496 E CB -0.610 29.076 29.700 -0.022 0.000 0.748 496 E HN -0.346 7.959 8.360 -0.059 0.020 0.449 497 G N -0.727 108.082 108.800 0.015 0.000 2.402 497 G HA2 -0.255 nan 3.960 nan 0.000 0.216 497 G HA3 -0.255 nan 3.960 nan 0.000 0.216 497 G C 0.850 175.774 174.900 0.040 0.000 1.162 497 G CA 1.520 46.633 45.100 0.021 0.000 0.777 497 G HN -0.399 7.806 8.290 -0.001 0.085 0.539 498 F N 3.478 123.360 119.950 -0.113 0.000 2.043 498 F HA -0.413 nan 4.527 nan 0.000 0.297 498 F C 1.293 176.965 175.800 -0.214 0.000 1.121 498 F CA 3.622 61.528 58.000 -0.158 0.000 1.199 498 F CB 0.322 39.200 39.000 -0.204 0.000 0.968 498 F HN -0.413 8.000 8.300 0.189 0.000 0.478 499 L N -2.861 118.429 121.223 0.113 0.000 2.042 499 L HA -0.514 nan 4.340 nan 0.000 0.210 499 L C 2.331 179.191 176.870 -0.017 0.000 1.076 499 L CA 3.110 57.932 54.840 -0.030 0.000 0.749 499 L CB -0.739 41.307 42.059 -0.022 0.000 0.893 499 L HN -0.499 7.823 8.230 0.154 0.000 0.432 500 R N -1.928 118.571 120.500 -0.002 0.000 2.133 500 R HA -0.395 nan 4.340 nan 0.000 0.247 500 R C 2.748 179.040 176.300 -0.014 0.000 1.151 500 R CA 2.804 58.907 56.100 0.005 0.000 0.971 500 R CB -0.774 29.530 30.300 0.006 0.000 0.866 500 R HN -0.203 8.004 8.270 0.010 0.069 0.447 501 E N -2.633 117.528 120.200 -0.066 0.000 2.076 501 E HA -0.169 nan 4.350 nan 0.000 0.190 501 E C 1.271 177.823 176.600 -0.080 0.000 0.979 501 E CA 2.291 58.638 56.400 -0.090 0.000 0.807 501 E CB 0.059 29.669 29.700 -0.150 0.000 0.761 501 E HN -0.391 7.796 8.360 -0.089 0.120 0.454 502 R N -2.434 118.013 120.500 -0.088 0.000 2.055 502 R HA -0.148 nan 4.340 nan 0.000 0.226 502 R C 1.891 178.228 176.300 0.062 0.000 1.135 502 R CA 1.861 57.980 56.100 0.031 0.000 0.959 502 R CB 0.382 30.840 30.300 0.263 0.000 0.854 502 R HN -0.567 7.610 8.270 -0.155 0.000 0.431 503 L N -3.556 117.727 121.223 0.099 0.000 2.551 503 L HA -0.180 nan 4.340 nan 0.000 0.228 503 L C 0.438 177.311 176.870 0.006 0.000 1.153 503 L CA 0.527 55.405 54.840 0.063 0.000 0.851 503 L CB -0.525 41.612 42.059 0.130 0.000 0.959 503 L HN -0.546 7.742 8.230 0.096 0.000 0.451 504 R N -1.531 118.985 120.500 0.026 0.000 2.389 504 R HA -0.114 nan 4.340 nan 0.000 0.295 504 R C -0.336 176.008 176.300 0.074 0.000 1.075 504 R CA -0.147 56.001 56.100 0.080 0.000 1.005 504 R CB 0.705 31.051 30.300 0.077 0.000 0.987 504 R HN -0.794 7.431 8.270 0.021 0.058 0.452 505 W N 0.000 121.332 121.300 0.053 0.000 2.388 505 W HA 0.000 nan 4.660 nan 0.000 0.303 505 W CA 0.000 57.376 57.345 0.051 0.000 1.226 505 W CB 0.000 29.499 29.460 0.064 0.000 1.126 505 W HN 0.000 8.429 8.180 0.415 0.000 0.535