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 1ova_1_C DATA FIRST_RESID 24 DATA SEQUENCE GSIGAASMEF CFDVFKELKV HHANENIFYC PIAIMSALAM VYLGAKDSTR DATA SEQUENCE TQINKVVRFK LPGGTSVNVH SSLRDILNQI TKPNDVYSFS LASRLYAEER DATA SEQUENCE YPILPEYLQC VKELYRGGLE PINFQAADQA RELINSWVES QTNGIIRNVL DATA SEQUENCE QPSSVQTAMV LVNAIVFKGL WEKAFKDEDT QAMPFRVTEQ ESKPVQMMYQ DATA SEQUENCE IGLFRVASMA SEKMKILELP FSGTMSMLVL LPEVSGLEQL ESIINFEKLT DATA SEQUENCE EWTSSNVERK IKVYLPRMKM EEKYNLTSVL MAMGITDVFS SSANLSGISS DATA SEQUENCE AESLKISQAV HAAHAEINEA GREVXXXXXX XXXXXXVSXE FRADHPFLFC DATA SEQUENCE IKHIATNAVL FFGRCVSP 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 24 G C 0.000 174.896 174.900 -0.006 0.000 0.946 24 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 25 S N -0.757 114.933 115.700 -0.016 0.000 2.588 25 S HA 0.613 5.083 4.470 -0.000 0.000 0.275 25 S C 0.651 175.235 174.600 -0.027 0.000 1.130 25 S CA -0.659 57.537 58.200 -0.006 0.000 0.855 25 S CB 1.893 65.106 63.200 0.021 0.000 1.116 25 S HN 0.376 nan 8.310 nan 0.000 0.472 26 I N 2.268 122.826 120.570 -0.019 0.000 2.493 26 I HA 0.113 4.283 4.170 -0.000 0.000 0.254 26 I C 2.093 178.192 176.117 -0.031 0.000 1.160 26 I CA 1.908 63.186 61.300 -0.035 0.000 1.445 26 I CB -0.996 36.981 38.000 -0.039 0.000 1.086 26 I HN 0.953 nan 8.210 nan 0.000 0.433 27 G N 0.022 108.825 108.800 0.006 0.000 2.433 27 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.216 27 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.216 27 G C 1.745 176.630 174.900 -0.025 0.000 1.186 27 G CA 0.818 45.940 45.100 0.037 0.000 0.779 27 G HN 0.562 nan 8.290 nan 0.000 0.543 28 A N 0.954 123.723 122.820 -0.086 0.000 1.930 28 A HA 0.332 4.652 4.320 -0.000 0.000 0.217 28 A C 2.796 180.124 177.584 -0.425 0.000 1.175 28 A CA 2.190 53.988 52.037 -0.399 0.000 0.627 28 A CB -0.717 18.091 19.000 -0.320 0.000 0.815 28 A HN 0.783 nan 8.150 nan 0.000 0.443 29 A N 0.357 123.047 122.820 -0.218 0.000 1.898 29 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 29 A C 2.527 180.039 177.584 -0.121 0.000 1.181 29 A CA 2.305 54.237 52.037 -0.174 0.000 0.620 29 A CB -0.991 17.935 19.000 -0.124 0.000 0.819 29 A HN 1.013 nan 8.150 nan 0.000 0.442 30 S N -0.777 114.869 115.700 -0.090 0.000 2.423 30 S HA -0.118 4.351 4.470 -0.000 0.000 0.231 30 S C 1.964 176.528 174.600 -0.059 0.000 1.014 30 S CA 1.555 59.735 58.200 -0.034 0.000 0.965 30 S CB -0.449 62.726 63.200 -0.042 0.000 0.785 30 S HN 0.415 nan 8.310 nan 0.000 0.495 31 M N 1.372 120.908 119.600 -0.106 0.000 2.156 31 M HA -0.025 4.455 4.480 -0.000 0.000 0.264 31 M C 2.469 178.739 176.300 -0.050 0.000 1.067 31 M CA 1.368 56.624 55.300 -0.074 0.000 1.131 31 M CB -1.089 31.557 32.600 0.077 0.000 1.368 31 M HN 0.472 nan 8.290 nan 0.000 0.416 32 E N 0.250 120.360 120.200 -0.149 0.000 2.072 32 E HA -0.179 4.170 4.350 -0.000 0.000 0.191 32 E C 1.664 178.243 176.600 -0.036 0.000 0.985 32 E CA 1.074 57.437 56.400 -0.061 0.000 0.801 32 E CB -0.944 28.658 29.700 -0.163 0.000 0.750 32 E HN 0.554 nan 8.360 nan 0.000 0.452 33 F N 0.829 120.672 119.950 -0.178 0.000 2.065 33 F HA -0.274 4.252 4.527 -0.000 0.000 0.298 33 F C 2.653 178.346 175.800 -0.178 0.000 1.112 33 F CA 1.475 59.366 58.000 -0.182 0.000 1.212 33 F CB -1.034 37.837 39.000 -0.214 0.000 0.975 33 F HN 0.298 nan 8.300 nan 0.000 0.476 34 C N 0.246 119.341 119.300 -0.342 0.000 2.398 34 C HA -0.265 4.195 4.460 -0.000 0.000 0.276 34 C C 2.817 177.407 174.990 -0.668 0.000 1.222 34 C CA 1.523 60.225 59.018 -0.527 0.000 1.746 34 C CB -1.802 25.543 27.740 -0.658 0.000 2.039 34 C HN 0.486 nan 8.230 nan 0.000 0.470 35 F N 1.090 120.876 119.950 -0.273 0.000 2.259 35 F HA 0.018 4.545 4.527 -0.001 0.000 0.298 35 F C 2.201 177.925 175.800 -0.127 0.000 1.088 35 F CA 1.720 59.609 58.000 -0.185 0.000 1.358 35 F CB -0.678 38.246 39.000 -0.128 0.000 1.040 35 F HN 0.225 nan 8.300 nan 0.000 0.505 36 D N 0.022 120.368 120.400 -0.089 0.000 2.117 36 D HA -0.135 4.504 4.640 -0.000 0.000 0.197 36 D C 2.555 178.710 176.300 -0.241 0.000 0.987 36 D CA 1.184 55.101 54.000 -0.139 0.000 0.829 36 D CB -0.551 40.158 40.800 -0.150 0.000 0.961 36 D HN 0.066 nan 8.370 nan 0.000 0.460 37 V N 0.846 120.477 119.914 -0.472 0.000 2.295 37 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 37 V C 2.182 178.089 176.094 -0.311 0.000 1.049 37 V CA 1.240 63.227 62.300 -0.522 0.000 1.024 37 V CB -0.592 30.718 31.823 -0.854 0.000 0.648 37 V HN 0.084 nan 8.190 nan 0.000 0.447 38 F N 1.298 121.082 119.950 -0.278 0.000 2.126 38 F HA -0.207 4.320 4.527 -0.001 0.000 0.299 38 F C 2.340 178.136 175.800 -0.007 0.000 1.096 38 F CA 1.792 59.756 58.000 -0.059 0.000 1.255 38 F CB -0.383 38.628 39.000 0.017 0.000 0.997 38 F HN 0.060 nan 8.300 nan 0.000 0.479 39 K N -0.160 120.210 120.400 -0.050 0.000 2.044 39 K HA -0.221 4.098 4.320 -0.000 0.000 0.210 39 K C 1.991 178.494 176.600 -0.162 0.000 1.049 39 K CA 1.803 58.022 56.287 -0.114 0.000 0.927 39 K CB -0.311 32.174 32.500 -0.026 0.000 0.713 39 K HN 0.243 nan 8.250 nan 0.000 0.443 40 E N 1.002 121.118 120.200 -0.140 0.000 2.031 40 E HA -0.141 4.208 4.350 -0.000 0.000 0.193 40 E C 2.178 178.756 176.600 -0.037 0.000 0.994 40 E CA 1.020 57.373 56.400 -0.079 0.000 0.800 40 E CB -0.344 29.311 29.700 -0.075 0.000 0.752 40 E HN 0.303 nan 8.360 nan 0.000 0.447 41 L N 1.329 122.470 121.223 -0.138 0.000 2.081 41 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 41 L C 2.537 179.396 176.870 -0.018 0.000 1.080 41 L CA 1.796 56.613 54.840 -0.038 0.000 0.754 41 L CB -0.785 41.118 42.059 -0.260 0.000 0.893 41 L HN 0.214 nan 8.230 nan 0.000 0.433 42 K N -0.165 120.053 120.400 -0.303 0.000 2.211 42 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 42 K C 1.829 178.328 176.600 -0.169 0.000 1.047 42 K CA 1.373 57.486 56.287 -0.290 0.000 0.935 42 K CB -0.549 31.652 32.500 -0.499 0.000 0.728 42 K HN 0.138 nan 8.250 nan 0.000 0.452 43 V N 1.738 121.515 119.914 -0.228 0.000 2.379 43 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 43 V C 1.937 177.714 176.094 -0.528 0.000 1.044 43 V CA 1.524 63.576 62.300 -0.414 0.000 1.036 43 V CB -0.612 30.855 31.823 -0.593 0.000 0.664 43 V HN 0.458 nan 8.190 nan 0.000 0.453 44 H N -1.389 117.619 119.070 -0.102 0.000 2.551 44 H HA 0.221 4.777 4.556 -0.000 0.000 0.271 44 H C 0.373 175.432 175.328 -0.448 0.000 0.984 44 H CA 0.495 56.391 56.048 -0.252 0.000 1.164 44 H CB 0.305 29.889 29.762 -0.296 0.000 1.437 44 H HN 0.526 nan 8.280 nan 0.000 0.550 45 H N -0.130 118.975 119.070 0.057 0.000 2.716 45 H HA 0.354 4.909 4.556 -0.000 0.000 0.230 45 H C 0.088 175.450 175.328 0.056 0.000 1.401 45 H CA -0.361 55.744 56.048 0.095 0.000 1.168 45 H CB 0.333 30.191 29.762 0.161 0.000 1.935 45 H HN 0.131 nan 8.280 nan 0.000 0.538 46 A N 1.387 124.247 122.820 0.065 0.000 2.520 46 A HA 0.075 4.395 4.320 -0.000 0.000 0.245 46 A C 0.862 178.499 177.584 0.088 0.000 1.072 46 A CA 0.100 52.171 52.037 0.056 0.000 0.761 46 A CB 0.037 19.044 19.000 0.012 0.000 1.004 46 A HN 0.745 nan 8.150 nan 0.000 0.499 47 N N 0.048 118.807 118.700 0.098 0.000 2.878 47 N HA -0.136 4.604 4.740 -0.000 0.000 0.247 47 N C -0.279 175.298 175.510 0.111 0.000 1.021 47 N CA 1.727 54.834 53.050 0.096 0.000 0.873 47 N CB -1.221 37.309 38.487 0.072 0.000 1.128 47 N HN 0.910 nan 8.380 nan 0.000 0.571 48 E N 0.268 120.554 120.200 0.143 0.000 2.212 48 E HA 0.351 4.701 4.350 -0.000 0.000 0.270 48 E C -0.076 176.620 176.600 0.160 0.000 0.956 48 E CA -0.817 55.677 56.400 0.156 0.000 0.825 48 E CB 0.796 30.633 29.700 0.228 0.000 1.167 48 E HN 0.081 nan 8.360 nan 0.000 0.400 49 N N 1.310 120.085 118.700 0.126 0.000 2.441 49 N HA 0.123 4.863 4.740 -0.000 0.000 0.251 49 N C -0.576 175.072 175.510 0.230 0.000 1.242 49 N CA 0.654 53.788 53.050 0.140 0.000 0.898 49 N CB 0.407 38.942 38.487 0.080 0.000 1.100 49 N HN 0.344 nan 8.380 nan 0.000 0.443 50 I N 1.155 121.903 120.570 0.296 0.000 2.608 50 I HA 0.443 4.613 4.170 -0.000 0.000 0.295 50 I C -1.148 175.270 176.117 0.501 0.000 1.049 50 I CA -0.761 60.793 61.300 0.424 0.000 1.063 50 I CB 1.736 40.016 38.000 0.468 0.000 1.248 50 I HN 0.274 nan 8.210 nan 0.000 0.424 51 F N 7.967 128.176 119.950 0.431 0.000 2.651 51 F HA 0.535 5.061 4.527 -0.000 0.000 0.329 51 F C -1.679 174.475 175.800 0.589 0.000 1.186 51 F CA -0.609 57.594 58.000 0.337 0.000 1.046 51 F CB 1.200 40.355 39.000 0.259 0.000 1.296 51 F HN 0.369 nan 8.300 nan 0.000 0.497 52 Y N 2.490 122.648 120.300 -0.236 0.000 2.638 52 Y HA 0.629 5.179 4.550 -0.001 0.000 0.335 52 Y C -1.646 174.220 175.900 -0.057 0.000 1.155 52 Y CA -2.064 56.074 58.100 0.062 0.000 1.046 52 Y CB 1.072 39.620 38.460 0.145 0.000 1.303 52 Y HN 0.679 nan 8.280 nan 0.000 0.460 53 C N 4.629 124.094 119.300 0.275 0.000 2.264 53 C HA 0.540 4.999 4.460 -0.000 0.000 0.322 53 C C -1.625 173.304 174.990 -0.102 0.000 1.210 53 C CA -2.206 56.703 59.018 -0.182 0.000 1.539 53 C CB 0.252 27.869 27.740 -0.204 0.000 2.167 53 C HN 0.769 nan 8.230 nan 0.000 0.463 54 P HA -0.081 nan 4.420 nan 0.000 0.216 54 P C 1.498 178.811 177.300 0.021 0.000 1.153 54 P CA 1.119 64.253 63.100 0.057 0.000 0.848 54 P CB 0.143 31.856 31.700 0.021 0.000 0.787 55 I N -0.467 120.045 120.570 -0.097 0.000 2.315 55 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 55 I C 2.141 178.217 176.117 -0.069 0.000 1.117 55 I CA 1.085 62.323 61.300 -0.103 0.000 1.404 55 I CB -0.915 36.979 38.000 -0.175 0.000 1.071 55 I HN -0.165 nan 8.210 nan 0.000 0.419 56 A N 0.339 123.126 122.820 -0.055 0.000 1.873 56 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 56 A C 2.293 179.900 177.584 0.038 0.000 1.186 56 A CA 1.753 53.811 52.037 0.035 0.000 0.616 56 A CB -0.932 18.156 19.000 0.147 0.000 0.823 56 A HN 0.421 nan 8.150 nan 0.000 0.442 57 I N -0.582 119.974 120.570 -0.022 0.000 2.208 57 I HA -0.348 3.822 4.170 -0.000 0.000 0.245 57 I C 2.722 178.808 176.117 -0.051 0.000 1.097 57 I CA 1.747 63.032 61.300 -0.025 0.000 1.363 57 I CB -0.410 37.577 38.000 -0.023 0.000 1.051 57 I HN 0.336 nan 8.210 nan 0.000 0.413 58 M N -0.200 119.332 119.600 -0.113 0.000 2.108 58 M HA -0.237 4.242 4.480 -0.000 0.000 0.261 58 M C 2.583 178.868 176.300 -0.025 0.000 1.066 58 M CA 2.008 57.199 55.300 -0.182 0.000 1.107 58 M CB -0.480 32.011 32.600 -0.181 0.000 1.356 58 M HN 0.259 nan 8.290 nan 0.000 0.406 59 S N 0.146 115.828 115.700 -0.030 0.000 2.368 59 S HA -0.079 4.390 4.470 -0.000 0.000 0.224 59 S C 1.984 176.467 174.600 -0.196 0.000 1.029 59 S CA 1.261 59.421 58.200 -0.066 0.000 0.988 59 S CB -0.165 63.071 63.200 0.059 0.000 0.838 59 S HN 0.478 nan 8.310 nan 0.000 0.462 60 A N 1.488 124.267 122.820 -0.069 0.000 1.902 60 A HA 0.063 4.382 4.320 -0.000 0.000 0.217 60 A C 2.174 179.726 177.584 -0.053 0.000 1.181 60 A CA 1.453 53.463 52.037 -0.045 0.000 0.623 60 A CB -0.801 18.236 19.000 0.061 0.000 0.818 60 A HN 0.588 nan 8.150 nan 0.000 0.443 61 L N -0.978 120.240 121.223 -0.009 0.000 2.291 61 L HA -0.093 4.247 4.340 -0.000 0.000 0.214 61 L C 2.892 179.843 176.870 0.134 0.000 1.120 61 L CA 0.677 55.552 54.840 0.059 0.000 0.799 61 L CB -0.406 41.656 42.059 0.004 0.000 0.925 61 L HN 0.441 nan 8.230 nan 0.000 0.446 62 A N -0.136 122.677 122.820 -0.013 0.000 1.968 62 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 62 A C 2.292 179.829 177.584 -0.079 0.000 1.169 62 A CA 1.062 52.960 52.037 -0.232 0.000 0.638 62 A CB -0.258 18.465 19.000 -0.461 0.000 0.812 62 A HN 0.309 nan 8.150 nan 0.000 0.446 63 M N -0.705 118.729 119.600 -0.275 0.000 2.123 63 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 63 M C 2.078 178.437 176.300 0.099 0.000 1.069 63 M CA 1.360 56.561 55.300 -0.166 0.000 1.133 63 M CB -0.556 31.899 32.600 -0.242 0.000 1.356 63 M HN 0.205 nan 8.290 nan 0.000 0.415 64 V N -0.285 119.678 119.914 0.081 0.000 2.287 64 V HA -0.308 3.811 4.120 -0.000 0.000 0.248 64 V C 2.243 178.412 176.094 0.126 0.000 1.053 64 V CA 2.099 64.449 62.300 0.084 0.000 1.027 64 V CB -1.100 30.738 31.823 0.025 0.000 0.646 64 V HN 0.399 nan 8.190 nan 0.000 0.447 65 Y N 0.592 120.918 120.300 0.043 0.000 2.181 65 Y HA -0.280 4.270 4.550 -0.000 0.000 0.284 65 Y C 2.203 178.147 175.900 0.074 0.000 1.179 65 Y CA 1.646 59.786 58.100 0.067 0.000 1.179 65 Y CB -0.423 38.095 38.460 0.097 0.000 0.973 65 Y HN 0.168 nan 8.280 nan 0.000 0.519 66 L N -1.050 120.236 121.223 0.106 0.000 2.131 66 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 66 L C 2.320 179.212 176.870 0.037 0.000 1.092 66 L CA 1.412 56.278 54.840 0.044 0.000 0.759 66 L CB -0.768 41.362 42.059 0.119 0.000 0.903 66 L HN 0.397 nan 8.230 nan 0.000 0.435 67 G N -1.157 107.686 108.800 0.072 0.000 3.233 67 G HA2 0.423 4.382 3.960 -0.000 0.000 0.234 67 G HA3 0.423 4.382 3.960 -0.000 0.000 0.234 67 G C 0.352 175.151 174.900 -0.168 0.000 1.137 67 G CA 0.342 45.380 45.100 -0.103 0.000 0.763 67 G HN 0.288 nan 8.290 nan 0.000 0.549 68 A N 0.462 123.185 122.820 -0.162 0.000 2.293 68 A HA 0.806 5.126 4.320 -0.000 0.000 0.302 68 A C 0.010 177.503 177.584 -0.150 0.000 1.119 68 A CA -0.358 51.592 52.037 -0.145 0.000 0.823 68 A CB 1.255 20.201 19.000 -0.090 0.000 1.097 68 A HN 0.103 nan 8.150 nan 0.000 0.491 69 K N 0.098 120.432 120.400 -0.109 0.000 2.409 69 K HA 0.677 4.996 4.320 -0.000 0.000 0.252 69 K C 0.428 176.994 176.600 -0.057 0.000 1.036 69 K CA 0.454 56.688 56.287 -0.088 0.000 0.871 69 K CB 0.801 33.255 32.500 -0.077 0.000 1.374 69 K HN 1.237 nan 8.250 nan 0.000 0.459 70 D N 0.306 120.681 120.400 -0.041 0.000 3.301 70 D HA -0.299 4.341 4.640 -0.000 0.000 0.217 70 D C 0.961 177.254 176.300 -0.012 0.000 1.548 70 D CA 1.837 55.823 54.000 -0.024 0.000 1.118 70 D CB -1.352 39.431 40.800 -0.028 0.000 0.684 70 D HN 0.487 nan 8.370 nan 0.000 0.821 71 S N -1.097 114.596 115.700 -0.011 0.000 2.400 71 S HA -0.133 4.336 4.470 -0.000 0.000 0.232 71 S C 2.279 176.877 174.600 -0.005 0.000 1.025 71 S CA 3.090 61.288 58.200 -0.003 0.000 0.993 71 S CB -0.854 62.342 63.200 -0.006 0.000 0.808 71 S HN 0.960 nan 8.310 nan 0.000 0.478 72 T N 1.543 116.085 114.554 -0.021 0.000 2.708 72 T HA -0.087 4.262 4.350 -0.000 0.000 0.266 72 T C 1.910 176.612 174.700 0.003 0.000 1.037 72 T CA 1.528 63.608 62.100 -0.033 0.000 1.146 72 T CB -0.302 68.525 68.868 -0.067 0.000 0.865 72 T HN 0.477 nan 8.240 nan 0.000 0.435 73 R N 0.412 120.921 120.500 0.015 0.000 2.066 73 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 73 R C 2.494 178.897 176.300 0.171 0.000 1.131 73 R CA 1.674 57.829 56.100 0.091 0.000 0.955 73 R CB -0.535 29.756 30.300 -0.015 0.000 0.851 73 R HN 0.257 nan 8.270 nan 0.000 0.432 74 T N 0.966 115.575 114.554 0.091 0.000 2.720 74 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 74 T C 1.748 176.478 174.700 0.050 0.000 1.037 74 T CA 1.596 63.742 62.100 0.077 0.000 1.144 74 T CB -0.160 68.731 68.868 0.038 0.000 0.864 74 T HN 0.410 nan 8.240 nan 0.000 0.444 75 Q N 0.073 119.891 119.800 0.030 0.000 2.084 75 Q HA -0.040 4.299 4.340 -0.000 0.000 0.202 75 Q C 2.407 178.395 176.000 -0.020 0.000 0.978 75 Q CA 1.283 57.089 55.803 0.005 0.000 0.844 75 Q CB -0.358 28.383 28.738 0.004 0.000 0.898 75 Q HN 0.547 nan 8.270 nan 0.000 0.426 76 I N 0.775 121.348 120.570 0.004 0.000 2.179 76 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 76 I C 2.209 178.188 176.117 -0.230 0.000 1.088 76 I CA 1.178 62.437 61.300 -0.068 0.000 1.357 76 I CB -0.445 37.605 38.000 0.083 0.000 1.051 76 I HN 0.264 nan 8.210 nan 0.000 0.409 77 N N 1.269 119.925 118.700 -0.073 0.000 2.036 77 N HA -0.225 4.515 4.740 -0.000 0.000 0.195 77 N C 1.856 177.244 175.510 -0.203 0.000 1.037 77 N CA 1.663 54.633 53.050 -0.134 0.000 0.855 77 N CB 0.059 38.619 38.487 0.122 0.000 1.033 77 N HN 0.073 nan 8.380 nan 0.000 0.423 78 K N -0.013 120.319 120.400 -0.112 0.000 2.001 78 K HA -0.006 4.313 4.320 -0.000 0.000 0.208 78 K C 2.084 178.600 176.600 -0.140 0.000 1.048 78 K CA 0.964 57.193 56.287 -0.097 0.000 0.932 78 K CB -0.787 31.686 32.500 -0.044 0.000 0.715 78 K HN 0.141 nan 8.250 nan 0.000 0.437 79 V N 1.219 121.046 119.914 -0.145 0.000 2.427 79 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 79 V C 2.191 178.187 176.094 -0.164 0.000 1.051 79 V CA 1.277 63.518 62.300 -0.098 0.000 1.048 79 V CB -0.210 31.591 31.823 -0.038 0.000 0.666 79 V HN -0.033 nan 8.190 nan 0.000 0.456 80 V N -0.575 119.042 119.914 -0.494 0.000 3.647 80 V HA 0.240 4.360 4.120 -0.000 0.000 0.279 80 V C 1.033 176.612 176.094 -0.857 0.000 1.314 80 V CA 0.050 61.787 62.300 -0.939 0.000 1.125 80 V CB -0.515 30.403 31.823 -1.508 0.000 0.907 80 V HN 0.591 nan 8.190 nan 0.000 0.434 81 R N -1.388 118.785 120.500 -0.546 0.000 3.644 81 R HA -0.157 4.183 4.340 -0.000 0.000 0.308 81 R C -0.283 175.844 176.300 -0.287 0.000 1.161 81 R CA 0.307 56.215 56.100 -0.320 0.000 0.819 81 R CB -2.886 27.279 30.300 -0.225 0.000 1.363 81 R HN 0.470 nan 8.270 nan 0.000 0.479 82 F N 2.537 122.306 119.950 -0.302 0.000 2.668 82 F HA 0.087 4.613 4.527 -0.000 0.000 0.365 82 F C 1.524 177.197 175.800 -0.211 0.000 1.165 82 F CA -0.502 57.291 58.000 -0.345 0.000 1.344 82 F CB -0.215 38.433 39.000 -0.587 0.000 1.658 82 F HN -0.023 nan 8.300 nan 0.000 0.620 83 K N -0.956 119.442 120.400 -0.003 0.000 2.662 83 K HA -0.255 4.064 4.320 -0.000 0.000 0.195 83 K C -0.025 176.574 176.600 -0.002 0.000 1.048 83 K CA 0.991 57.278 56.287 -0.001 0.000 0.914 83 K CB -1.799 30.695 32.500 -0.009 0.000 0.772 83 K HN 0.501 nan 8.250 nan 0.000 0.529 84 L N 1.539 122.760 121.223 -0.003 0.000 2.455 84 L HA 0.141 4.481 4.340 -0.000 0.000 0.272 84 L C -1.777 175.087 176.870 -0.011 0.000 1.174 84 L CA -2.248 52.583 54.840 -0.015 0.000 0.869 84 L CB 0.008 42.051 42.059 -0.026 0.000 1.130 84 L HN -0.039 nan 8.230 nan 0.000 0.474 85 P HA 0.013 nan 4.420 nan 0.000 0.251 85 P C 0.220 177.517 177.300 -0.004 0.000 1.154 85 P CA 0.724 63.823 63.100 -0.002 0.000 0.805 85 P CB 0.046 31.745 31.700 -0.002 0.000 0.759 86 G N 2.539 111.348 108.800 0.014 0.000 2.497 86 G HA2 0.119 4.079 3.960 -0.000 0.000 0.686 86 G HA3 0.119 4.079 3.960 -0.000 0.000 0.686 86 G C 0.872 175.833 174.900 0.102 0.000 1.288 86 G CA -0.444 44.682 45.100 0.044 0.000 0.899 86 G HN 0.528 nan 8.290 nan 0.000 0.608 87 G N -0.657 108.092 108.800 -0.085 0.000 2.448 87 G HA2 0.314 4.274 3.960 -0.000 0.000 0.219 87 G HA3 0.314 4.274 3.960 -0.000 0.000 0.219 87 G C 1.696 176.556 174.900 -0.066 0.000 1.127 87 G CA 2.940 47.994 45.100 -0.077 0.000 0.766 87 G HN 1.805 nan 8.290 nan 0.000 0.552 88 T N 0.816 115.335 114.554 -0.058 0.000 2.634 88 T HA 0.474 4.824 4.350 -0.000 0.000 0.243 88 T C 1.777 176.446 174.700 -0.051 0.000 1.121 88 T CA 1.737 63.809 62.100 -0.047 0.000 1.315 88 T CB -1.008 nan 68.868 nan 0.000 0.944 88 T HN 0.644 nan 8.240 nan 0.000 0.402 89 S N -0.247 115.422 115.700 -0.051 0.000 2.576 89 S HA 0.564 5.034 4.470 -0.000 0.000 0.272 89 S C 1.165 175.729 174.600 -0.061 0.000 1.352 89 S CA 0.221 58.392 58.200 -0.048 0.000 1.021 89 S CB -0.060 nan 63.200 nan 0.000 0.887 89 S HN 1.474 nan 8.310 nan 0.000 0.542 90 V N 0.091 119.974 119.914 -0.052 0.000 3.528 90 V HA 0.292 4.412 4.120 -0.000 0.000 0.294 90 V C 1.789 177.852 176.094 -0.052 0.000 1.404 90 V CA 1.019 63.283 62.300 -0.060 0.000 1.065 90 V CB -1.628 nan 31.823 nan 0.000 0.904 90 V HN 0.983 nan 8.190 nan 0.000 0.435 91 N N 0.087 118.763 118.700 -0.039 0.000 2.396 91 N HA 0.096 4.836 4.740 -0.000 0.000 0.180 91 N C 0.973 176.471 175.510 -0.019 0.000 1.028 91 N CA 1.176 54.212 53.050 -0.024 0.000 0.893 91 N CB -0.168 38.311 38.487 -0.012 0.000 0.967 91 N HN 0.418 nan 8.380 nan 0.000 0.440 92 V N 1.852 121.737 119.914 -0.047 0.000 2.509 92 V HA 0.026 4.146 4.120 -0.000 0.000 0.297 92 V C 0.720 176.826 176.094 0.020 0.000 1.014 92 V CA 0.477 62.745 62.300 -0.053 0.000 1.127 92 V CB -1.214 30.508 31.823 -0.170 0.000 0.925 92 V HN 0.821 nan 8.190 nan 0.000 0.480 93 H N 2.107 121.132 119.070 -0.075 0.000 2.921 93 H HA -0.249 4.307 4.556 -0.001 0.000 0.281 93 H C 1.976 177.248 175.328 -0.093 0.000 1.165 93 H CA 0.252 56.246 56.048 -0.089 0.000 1.151 93 H CB -0.987 28.734 29.762 -0.070 0.000 1.311 93 H HN 0.951 nan 8.280 nan 0.000 0.361 94 S N 0.048 115.763 115.700 0.025 0.000 2.372 94 S HA -0.282 4.187 4.470 -0.000 0.000 0.227 94 S C 2.361 176.944 174.600 -0.029 0.000 1.044 94 S CA 1.725 59.915 58.200 -0.018 0.000 1.050 94 S CB -0.590 62.600 63.200 -0.017 0.000 0.901 94 S HN 0.624 nan 8.310 nan 0.000 0.447 95 S N 1.896 117.579 115.700 -0.028 0.000 2.402 95 S HA -0.097 4.373 4.470 -0.000 0.000 0.233 95 S C 1.728 176.294 174.600 -0.057 0.000 1.030 95 S CA 1.335 59.512 58.200 -0.038 0.000 1.003 95 S CB -0.650 62.529 63.200 -0.034 0.000 0.813 95 S HN 0.490 nan 8.310 nan 0.000 0.477 96 L N 0.794 121.982 121.223 -0.058 0.000 2.269 96 L HA 0.414 4.754 4.340 -0.000 0.000 0.200 96 L C 2.447 179.284 176.870 -0.055 0.000 1.069 96 L CA 0.938 55.743 54.840 -0.058 0.000 0.804 96 L CB -0.425 41.603 42.059 -0.053 0.000 0.987 96 L HN 0.036 nan 8.230 nan 0.000 0.468 97 R N -0.147 120.323 120.500 -0.050 0.000 2.148 97 R HA -0.099 4.241 4.340 -0.000 0.000 0.223 97 R C 1.656 177.901 176.300 -0.092 0.000 1.088 97 R CA 1.129 57.174 56.100 -0.092 0.000 0.985 97 R CB -0.324 29.880 30.300 -0.161 0.000 0.880 97 R HN 0.380 nan 8.270 nan 0.000 0.451 98 D N 0.960 121.313 120.400 -0.078 0.000 2.133 98 D HA -0.195 4.444 4.640 -0.000 0.000 0.195 98 D C 1.696 177.935 176.300 -0.101 0.000 0.997 98 D CA 0.937 54.896 54.000 -0.069 0.000 0.840 98 D CB -0.117 40.656 40.800 -0.045 0.000 0.947 98 D HN 0.144 nan 8.370 nan 0.000 0.452 99 I N 0.402 120.877 120.570 -0.159 0.000 2.233 99 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 99 I C 2.078 178.058 176.117 -0.227 0.000 1.093 99 I CA 0.875 62.009 61.300 -0.276 0.000 1.380 99 I CB -0.620 37.132 38.000 -0.413 0.000 1.067 99 I HN -0.010 nan 8.210 nan 0.000 0.413 100 L N 1.205 122.327 121.223 -0.168 0.000 2.043 100 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 100 L C 2.315 179.125 176.870 -0.100 0.000 1.075 100 L CA 2.279 57.036 54.840 -0.137 0.000 0.752 100 L CB -0.891 41.137 42.059 -0.052 0.000 0.891 100 L HN 0.385 nan 8.230 nan 0.000 0.432 101 N N -1.087 117.566 118.700 -0.078 0.000 2.120 101 N HA -0.247 4.493 4.740 -0.000 0.000 0.188 101 N C 1.879 177.378 175.510 -0.018 0.000 1.024 101 N CA 0.874 53.897 53.050 -0.045 0.000 0.852 101 N CB -0.095 38.362 38.487 -0.049 0.000 1.003 101 N HN 0.377 nan 8.380 nan 0.000 0.424 102 Q N 1.344 121.129 119.800 -0.025 0.000 2.030 102 Q HA -0.181 4.158 4.340 -0.000 0.000 0.204 102 Q C 2.119 178.166 176.000 0.078 0.000 0.986 102 Q CA 1.624 57.447 55.803 0.032 0.000 0.843 102 Q CB -0.099 28.665 28.738 0.042 0.000 0.904 102 Q HN 0.580 nan 8.270 nan 0.000 0.420 103 I N -1.797 118.752 120.570 -0.034 0.000 3.059 103 I HA 0.008 4.178 4.170 -0.000 0.000 0.270 103 I C 1.736 177.923 176.117 0.116 0.000 1.238 103 I CA 1.256 62.542 61.300 -0.023 0.000 1.478 103 I CB -0.332 37.263 38.000 -0.676 0.000 1.097 103 I HN 0.083 nan 8.210 nan 0.000 0.455 104 T N -2.013 112.572 114.554 0.053 0.000 3.081 104 T HA 0.154 4.504 4.350 -0.000 0.000 0.250 104 T C 0.852 175.622 174.700 0.118 0.000 1.100 104 T CA -0.256 61.923 62.100 0.133 0.000 1.038 104 T CB -0.199 68.718 68.868 0.081 0.000 0.962 104 T HN 0.240 nan 8.240 nan 0.000 0.516 105 K N 3.075 123.529 120.400 0.091 0.000 2.447 105 K HA 0.180 4.500 4.320 -0.000 0.000 0.281 105 K C -2.511 174.108 176.600 0.031 0.000 1.031 105 K CA -1.695 54.624 56.287 0.054 0.000 1.019 105 K CB 0.211 32.741 32.500 0.050 0.000 0.918 105 K HN 0.153 nan 8.250 nan 0.000 0.476 106 P HA -0.086 nan 4.420 nan 0.000 0.261 106 P C -1.200 176.054 177.300 -0.077 0.000 1.173 106 P CA 0.307 63.392 63.100 -0.025 0.000 0.760 106 P CB 0.377 32.069 31.700 -0.014 0.000 0.783 107 N N 0.286 118.895 118.700 -0.151 0.000 3.243 107 N HA 0.282 5.022 4.740 -0.000 0.000 0.280 107 N C -0.536 174.869 175.510 -0.175 0.000 1.545 107 N CA -0.740 52.201 53.050 -0.181 0.000 0.854 107 N CB 0.412 38.726 38.487 -0.288 0.000 1.612 107 N HN -0.016 nan 8.380 nan 0.000 0.577 108 D N -0.838 119.483 120.400 -0.132 0.000 2.349 108 D HA 0.085 4.725 4.640 -0.000 0.000 0.214 108 D C 1.115 177.378 176.300 -0.061 0.000 1.063 108 D CA 0.663 54.618 54.000 -0.076 0.000 0.847 108 D CB 0.532 41.312 40.800 -0.033 0.000 0.933 108 D HN 0.424 nan 8.370 nan 0.000 0.513 109 V N -2.278 117.577 119.914 -0.097 0.000 3.612 109 V HA 0.280 4.400 4.120 -0.000 0.000 0.268 109 V C 0.087 176.227 176.094 0.077 0.000 1.365 109 V CA -0.128 62.187 62.300 0.024 0.000 1.044 109 V CB -0.349 31.560 31.823 0.143 0.000 0.820 109 V HN 0.015 nan 8.190 nan 0.000 0.444 110 Y N -1.631 118.684 120.300 0.025 0.000 2.689 110 Y HA 0.854 5.404 4.550 -0.001 0.000 0.333 110 Y C -0.778 175.107 175.900 -0.025 0.000 1.190 110 Y CA -1.310 56.754 58.100 -0.060 0.000 1.063 110 Y CB 1.298 39.770 38.460 0.021 0.000 1.294 110 Y HN -0.126 nan 8.280 nan 0.000 0.466 111 S N 1.117 116.872 115.700 0.092 0.000 2.672 111 S HA 0.705 5.175 4.470 -0.000 0.000 0.291 111 S C -2.076 172.594 174.600 0.116 0.000 1.145 111 S CA -0.461 57.787 58.200 0.080 0.000 1.013 111 S CB 0.108 63.271 63.200 -0.062 0.000 1.017 111 S HN 0.506 nan 8.310 nan 0.000 0.487 112 F N 2.432 122.563 119.950 0.303 0.000 2.458 112 F HA 0.551 5.077 4.527 -0.000 0.000 0.336 112 F C 0.528 176.439 175.800 0.185 0.000 1.114 112 F CA -0.355 57.835 58.000 0.317 0.000 0.987 112 F CB 2.268 41.472 39.000 0.340 0.000 1.130 112 F HN 0.376 nan 8.300 nan 0.000 0.458 113 S N 4.229 120.133 115.700 0.340 0.000 2.552 113 S HA 0.595 5.065 4.470 -0.000 0.000 0.314 113 S C -1.326 173.403 174.600 0.215 0.000 1.099 113 S CA -0.499 57.820 58.200 0.198 0.000 1.070 113 S CB 1.366 64.618 63.200 0.087 0.000 0.998 113 S HN 0.485 nan 8.310 nan 0.000 0.474 114 L N 3.624 124.951 121.223 0.173 0.000 2.333 114 L HA 0.847 5.187 4.340 -0.000 0.000 0.280 114 L C -0.553 176.368 176.870 0.085 0.000 1.004 114 L CA -0.338 54.601 54.840 0.164 0.000 0.820 114 L CB 1.225 43.391 42.059 0.177 0.000 1.247 114 L HN 0.676 nan 8.230 nan 0.000 0.416 115 A N 3.614 126.468 122.820 0.058 0.000 2.328 115 A HA 0.714 5.034 4.320 -0.000 0.000 0.318 115 A C -0.603 177.175 177.584 0.324 0.000 1.347 115 A CA -0.335 51.695 52.037 -0.011 0.000 0.842 115 A CB 0.700 19.494 19.000 -0.345 0.000 1.148 115 A HN 0.619 nan 8.150 nan 0.000 0.499 116 S N 2.258 118.237 115.700 0.465 0.000 2.647 116 S HA 0.791 5.260 4.470 -0.000 0.000 0.300 116 S C -0.619 174.178 174.600 0.328 0.000 1.129 116 S CA -0.593 57.824 58.200 0.362 0.000 1.029 116 S CB 0.774 64.121 63.200 0.244 0.000 1.007 116 S HN 0.897 nan 8.310 nan 0.000 0.484 117 R N 3.855 124.488 120.500 0.222 0.000 2.634 117 R HA 0.442 4.782 4.340 -0.000 0.000 0.263 117 R C -1.972 174.330 176.300 0.003 0.000 1.060 117 R CA -0.626 55.456 56.100 -0.030 0.000 0.898 117 R CB 0.944 30.991 30.300 -0.421 0.000 1.253 117 R HN 0.608 nan 8.270 nan 0.000 0.461 118 L N 4.281 125.461 121.223 -0.071 0.000 2.257 118 L HA 0.428 4.768 4.340 -0.000 0.000 0.290 118 L C -0.988 175.828 176.870 -0.091 0.000 1.044 118 L CA -0.587 54.259 54.840 0.011 0.000 0.810 118 L CB 0.859 42.945 42.059 0.045 0.000 1.193 118 L HN 0.545 nan 8.230 nan 0.000 0.425 119 Y N 2.466 122.821 120.300 0.090 0.000 2.328 119 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 119 Y C 0.430 176.469 175.900 0.232 0.000 1.008 119 Y CA -0.378 57.781 58.100 0.098 0.000 1.129 119 Y CB 1.722 40.268 38.460 0.142 0.000 1.185 119 Y HN 0.590 nan 8.280 nan 0.000 0.476 120 A N 2.516 125.506 122.820 0.284 0.000 2.374 120 A HA 0.560 4.880 4.320 -0.000 0.000 0.317 120 A C -0.751 177.024 177.584 0.318 0.000 1.094 120 A CA -0.959 51.286 52.037 0.346 0.000 0.765 120 A CB 0.992 20.108 19.000 0.194 0.000 1.268 120 A HN 0.621 nan 8.150 nan 0.000 0.438 121 E N 1.295 121.808 120.200 0.521 0.000 2.585 121 E HA -0.067 4.283 4.350 -0.000 0.000 0.252 121 E C 1.155 177.819 176.600 0.107 0.000 0.981 121 E CA 0.896 57.461 56.400 0.276 0.000 0.943 121 E CB 0.297 30.140 29.700 0.239 0.000 0.923 121 E HN 0.670 nan 8.360 nan 0.000 0.486 122 E N 4.563 124.749 120.200 -0.024 0.000 2.265 122 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 122 E C 1.037 177.616 176.600 -0.035 0.000 0.996 122 E CA 0.571 56.959 56.400 -0.021 0.000 0.832 122 E CB -0.007 29.661 29.700 -0.054 0.000 0.756 122 E HN 0.290 nan 8.360 nan 0.000 0.491 123 R N 0.431 120.862 120.500 -0.115 0.000 2.189 123 R HA -0.002 4.338 4.340 -0.000 0.000 0.223 123 R C 0.017 176.251 176.300 -0.111 0.000 1.092 123 R CA 0.522 56.539 56.100 -0.139 0.000 0.989 123 R CB -0.872 29.309 30.300 -0.198 0.000 0.876 123 R HN 0.321 nan 8.270 nan 0.000 0.457 124 Y N 2.541 122.852 120.300 0.018 0.000 2.465 124 Y HA 0.168 4.718 4.550 -0.000 0.000 0.331 124 Y C -1.593 174.307 175.900 0.000 0.000 1.102 124 Y CA -2.989 55.116 58.100 0.009 0.000 1.358 124 Y CB -0.056 38.411 38.460 0.012 0.000 1.213 124 Y HN -0.015 nan 8.280 nan 0.000 0.525 125 P HA 0.168 nan 4.420 nan 0.000 0.287 125 P C -0.663 176.676 177.300 0.065 0.000 1.294 125 P CA -0.033 63.117 63.100 0.083 0.000 0.776 125 P CB 0.931 32.664 31.700 0.056 0.000 0.889 126 I N 4.332 124.935 120.570 0.056 0.000 2.365 126 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 126 I C 1.105 177.250 176.117 0.047 0.000 1.004 126 I CA -1.058 60.268 61.300 0.043 0.000 1.311 126 I CB 0.663 38.709 38.000 0.077 0.000 1.401 126 I HN 0.250 nan 8.210 nan 0.000 0.491 127 L N 7.914 129.161 121.223 0.039 0.000 2.525 127 L HA 0.026 4.366 4.340 -0.000 0.000 0.278 127 L C -1.180 175.739 176.870 0.082 0.000 1.218 127 L CA -0.980 53.891 54.840 0.051 0.000 0.878 127 L CB -0.057 42.023 42.059 0.036 0.000 1.127 127 L HN 0.389 nan 8.230 nan 0.000 0.492 128 P HA -0.189 nan 4.420 nan 0.000 0.216 128 P C 1.122 178.437 177.300 0.025 0.000 1.150 128 P CA 1.070 64.188 63.100 0.030 0.000 0.837 128 P CB 0.110 31.817 31.700 0.012 0.000 0.786 129 E N -1.149 119.071 120.200 0.033 0.000 2.216 129 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 129 E C 1.978 178.589 176.600 0.020 0.000 0.988 129 E CA 0.921 57.327 56.400 0.011 0.000 0.834 129 E CB -1.422 28.282 29.700 0.008 0.000 0.772 129 E HN 0.297 nan 8.360 nan 0.000 0.479 130 Y N 2.189 122.463 120.300 -0.043 0.000 2.114 130 Y HA -0.134 4.416 4.550 -0.001 0.000 0.284 130 Y C 2.350 178.227 175.900 -0.038 0.000 1.143 130 Y CA 1.589 59.661 58.100 -0.046 0.000 1.135 130 Y CB -0.428 38.003 38.460 -0.048 0.000 0.980 130 Y HN -0.089 nan 8.280 nan 0.000 0.499 131 L N -0.026 121.171 121.223 -0.043 0.000 2.043 131 L HA -0.334 4.006 4.340 -0.000 0.000 0.212 131 L C 2.542 179.321 176.870 -0.151 0.000 1.075 131 L CA 1.945 56.723 54.840 -0.104 0.000 0.752 131 L CB -0.654 41.407 42.059 0.004 0.000 0.891 131 L HN 0.364 nan 8.230 nan 0.000 0.432 132 Q N -1.306 118.429 119.800 -0.108 0.000 2.030 132 Q HA -0.272 4.067 4.340 -0.000 0.000 0.204 132 Q C 2.478 178.394 176.000 -0.139 0.000 0.986 132 Q CA 2.054 57.797 55.803 -0.100 0.000 0.843 132 Q CB -0.521 28.174 28.738 -0.072 0.000 0.904 132 Q HN 0.589 nan 8.270 nan 0.000 0.420 133 C N 0.262 119.455 119.300 -0.177 0.000 2.388 133 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 133 C C 2.792 177.646 174.990 -0.228 0.000 1.210 133 C CA 1.367 60.261 59.018 -0.206 0.000 1.743 133 C CB -1.050 26.560 27.740 -0.217 0.000 2.047 133 C HN 0.592 nan 8.230 nan 0.000 0.458 134 V N 1.915 121.625 119.914 -0.340 0.000 2.490 134 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 134 V C 2.241 178.268 176.094 -0.112 0.000 1.061 134 V CA 2.674 64.833 62.300 -0.235 0.000 1.064 134 V CB -1.014 30.560 31.823 -0.415 0.000 0.670 134 V HN 0.774 nan 8.190 nan 0.000 0.461 135 K N 1.011 121.329 120.400 -0.137 0.000 2.186 135 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 135 K C 2.021 178.568 176.600 -0.089 0.000 1.052 135 K CA 1.530 57.765 56.287 -0.087 0.000 0.965 135 K CB -0.761 31.692 32.500 -0.080 0.000 0.746 135 K HN 0.367 nan 8.250 nan 0.000 0.457 136 E N -0.020 120.111 120.200 -0.115 0.000 2.204 136 E HA -0.021 4.328 4.350 -0.000 0.000 0.194 136 E C 1.432 177.926 176.600 -0.177 0.000 0.989 136 E CA 1.125 57.449 56.400 -0.127 0.000 0.824 136 E CB -0.206 29.417 29.700 -0.129 0.000 0.756 136 E HN 0.413 nan 8.360 nan 0.000 0.477 137 L N -1.867 119.217 121.223 -0.233 0.000 2.577 137 L HA 0.401 4.741 4.340 -0.000 0.000 0.225 137 L C -0.253 176.194 176.870 -0.705 0.000 1.053 137 L CA 0.618 55.172 54.840 -0.475 0.000 0.866 137 L CB 0.277 42.001 42.059 -0.558 0.000 1.132 137 L HN 0.239 nan 8.230 nan 0.000 0.486 138 Y N -1.016 119.244 120.300 -0.066 0.000 2.499 138 Y HA 0.627 5.177 4.550 -0.001 0.000 0.347 138 Y C 0.318 176.210 175.900 -0.014 0.000 0.987 138 Y CA -1.240 56.843 58.100 -0.028 0.000 1.044 138 Y CB 1.183 39.632 38.460 -0.018 0.000 1.245 138 Y HN -0.233 nan 8.280 nan 0.000 0.461 139 R N 0.155 120.749 120.500 0.157 0.000 2.500 139 R HA 0.609 4.949 4.340 -0.000 0.000 0.275 139 R C 0.992 177.407 176.300 0.192 0.000 1.051 139 R CA 0.385 56.573 56.100 0.146 0.000 1.088 139 R CB 0.534 30.917 30.300 0.137 0.000 1.063 139 R HN 0.896 nan 8.270 nan 0.000 0.511 140 G N 0.148 109.059 108.800 0.184 0.000 4.526 140 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.217 140 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.217 140 G C 0.712 175.587 174.900 -0.042 0.000 1.428 140 G CA 0.086 45.271 45.100 0.141 0.000 0.928 140 G HN 1.272 nan 8.290 nan 0.000 0.639 141 G N 0.034 108.835 108.800 0.002 0.000 2.598 141 G HA2 0.085 4.045 3.960 -0.000 0.000 0.244 141 G HA3 0.085 4.045 3.960 -0.000 0.000 0.244 141 G C 0.026 174.866 174.900 -0.099 0.000 1.302 141 G CA 0.444 45.519 45.100 -0.041 0.000 0.903 141 G HN 1.830 nan 8.290 nan 0.000 0.575 142 L N 0.224 121.398 121.223 -0.082 0.000 2.295 142 L HA 0.802 5.141 4.340 -0.000 0.000 0.285 142 L C -0.211 176.553 176.870 -0.176 0.000 1.035 142 L CA -0.642 54.151 54.840 -0.079 0.000 0.806 142 L CB 1.518 43.642 42.059 0.107 0.000 1.214 142 L HN 0.829 nan 8.230 nan 0.000 0.426 143 E N 7.049 127.066 120.200 -0.305 0.000 2.218 143 E HA 0.513 4.863 4.350 -0.000 0.000 0.263 143 E C -2.665 173.841 176.600 -0.155 0.000 0.879 143 E CA -2.346 53.860 56.400 -0.322 0.000 0.762 143 E CB 1.748 31.036 29.700 -0.686 0.000 1.166 143 E HN 0.246 nan 8.360 nan 0.000 0.415 144 P HA 0.309 nan 4.420 nan 0.000 0.274 144 P C -0.704 176.563 177.300 -0.054 0.000 1.231 144 P CA -0.274 62.809 63.100 -0.029 0.000 0.790 144 P CB 1.076 32.765 31.700 -0.017 0.000 0.951 145 I N 0.948 121.435 120.570 -0.139 0.000 2.984 145 I HA 0.336 4.505 4.170 -0.000 0.000 0.303 145 I C -1.356 174.536 176.117 -0.374 0.000 1.381 145 I CA -0.964 60.170 61.300 -0.276 0.000 0.988 145 I CB 2.506 40.263 38.000 -0.405 0.000 1.307 145 I HN 0.146 nan 8.210 nan 0.000 0.460 146 N N 4.615 123.131 118.700 -0.307 0.000 2.462 146 N HA 0.311 5.051 4.740 -0.000 0.000 0.242 146 N C -0.527 174.860 175.510 -0.205 0.000 1.010 146 N CA -0.002 52.926 53.050 -0.202 0.000 0.939 146 N CB 0.418 38.845 38.487 -0.101 0.000 1.127 146 N HN 0.459 nan 8.380 nan 0.000 0.509 147 F N 1.526 121.475 119.950 -0.002 0.000 2.374 147 F HA 0.150 4.676 4.527 -0.001 0.000 0.291 147 F C 2.187 177.980 175.800 -0.012 0.000 1.084 147 F CA 0.237 58.237 58.000 -0.000 0.000 1.413 147 F CB -0.450 38.562 39.000 0.020 0.000 1.099 147 F HN 0.514 nan 8.300 nan 0.000 0.534 148 Q N 1.672 121.563 119.800 0.153 0.000 2.585 148 Q HA -0.048 4.292 4.340 -0.000 0.000 0.219 148 Q C 1.393 177.422 176.000 0.048 0.000 0.984 148 Q CA 0.627 56.472 55.803 0.071 0.000 0.915 148 Q CB -0.540 28.206 28.738 0.013 0.000 0.967 148 Q HN 0.279 nan 8.270 nan 0.000 0.530 149 A N 0.030 122.870 122.820 0.034 0.000 2.002 149 A HA -0.166 4.153 4.320 -0.000 0.000 0.208 149 A C 1.688 179.308 177.584 0.060 0.000 1.658 149 A CA 0.782 52.837 52.037 0.029 0.000 1.903 149 A CB -1.491 17.509 19.000 0.001 0.000 0.650 149 A HN 0.647 nan 8.150 nan 0.000 0.705 150 A N 0.238 123.118 122.820 0.099 0.000 1.881 150 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 150 A C 1.988 179.638 177.584 0.110 0.000 1.215 150 A CA 2.027 54.154 52.037 0.148 0.000 0.648 150 A CB -0.523 18.539 19.000 0.103 0.000 0.832 150 A HN 0.629 nan 8.150 nan 0.000 0.455 151 D N -1.519 118.919 120.400 0.063 0.000 2.178 151 D HA -0.140 4.500 4.640 -0.000 0.000 0.202 151 D C 2.127 178.449 176.300 0.036 0.000 0.974 151 D CA 1.400 55.427 54.000 0.045 0.000 0.841 151 D CB -0.165 40.653 40.800 0.030 0.000 0.953 151 D HN 0.712 nan 8.370 nan 0.000 0.478 152 Q N 0.381 120.199 119.800 0.030 0.000 2.119 152 Q HA -0.108 4.231 4.340 -0.000 0.000 0.201 152 Q C 2.065 178.066 176.000 0.002 0.000 0.972 152 Q CA 1.182 56.993 55.803 0.014 0.000 0.847 152 Q CB 0.050 28.791 28.738 0.006 0.000 0.903 152 Q HN 0.136 nan 8.270 nan 0.000 0.433 153 A N 1.317 124.143 122.820 0.010 0.000 1.883 153 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 153 A C 2.109 179.686 177.584 -0.012 0.000 1.186 153 A CA 1.645 53.659 52.037 -0.037 0.000 0.624 153 A CB -0.691 18.293 19.000 -0.026 0.000 0.822 153 A HN 0.420 nan 8.150 nan 0.000 0.444 154 R N -0.445 120.092 120.500 0.061 0.000 2.096 154 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 154 R C 2.071 178.378 176.300 0.011 0.000 1.139 154 R CA 1.825 57.953 56.100 0.045 0.000 0.952 154 R CB -0.218 30.112 30.300 0.050 0.000 0.854 154 R HN 0.555 nan 8.270 nan 0.000 0.436 155 E N 0.557 120.765 120.200 0.013 0.000 2.072 155 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 155 E C 2.177 178.787 176.600 0.016 0.000 0.985 155 E CA 1.027 57.437 56.400 0.017 0.000 0.801 155 E CB -0.220 29.491 29.700 0.019 0.000 0.750 155 E HN 0.408 nan 8.360 nan 0.000 0.452 156 L N 0.684 121.905 121.223 -0.004 0.000 2.013 156 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 156 L C 2.602 179.481 176.870 0.015 0.000 1.073 156 L CA 1.154 55.997 54.840 0.006 0.000 0.753 156 L CB -0.499 41.540 42.059 -0.032 0.000 0.890 156 L HN 0.097 nan 8.230 nan 0.000 0.432 157 I N -0.276 120.223 120.570 -0.119 0.000 2.127 157 I HA -0.317 3.852 4.170 -0.000 0.000 0.241 157 I C 2.283 178.468 176.117 0.112 0.000 1.075 157 I CA 1.293 62.493 61.300 -0.168 0.000 1.334 157 I CB -0.521 37.273 38.000 -0.344 0.000 1.040 157 I HN 0.338 nan 8.210 nan 0.000 0.405 158 N N 0.602 119.344 118.700 0.070 0.000 2.094 158 N HA -0.159 4.580 4.740 -0.000 0.000 0.191 158 N C 2.014 177.590 175.510 0.110 0.000 1.023 158 N CA 1.611 54.715 53.050 0.090 0.000 0.857 158 N CB -0.373 38.147 38.487 0.054 0.000 1.013 158 N HN 0.233 nan 8.380 nan 0.000 0.426 159 S N -0.468 115.302 115.700 0.118 0.000 2.387 159 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 159 S C 1.576 176.282 174.600 0.176 0.000 1.026 159 S CA 0.483 58.752 58.200 0.115 0.000 0.972 159 S CB -0.168 63.098 63.200 0.111 0.000 0.814 159 S HN 0.565 nan 8.310 nan 0.000 0.477 160 W N 2.334 123.674 121.300 0.066 0.000 2.381 160 W HA -0.087 4.573 4.660 -0.000 0.000 0.301 160 W C 1.852 178.430 176.519 0.099 0.000 1.205 160 W CA 0.788 58.195 57.345 0.103 0.000 1.285 160 W CB -0.635 28.936 29.460 0.185 0.000 1.133 160 W HN -0.021 nan 8.180 nan 0.000 0.521 161 V N 0.802 120.817 119.914 0.169 0.000 2.295 161 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 161 V C 2.361 178.384 176.094 -0.118 0.000 1.049 161 V CA 2.543 64.815 62.300 -0.047 0.000 1.024 161 V CB -1.519 30.391 31.823 0.145 0.000 0.648 161 V HN 0.339 nan 8.190 nan 0.000 0.447 162 E N -0.689 119.491 120.200 -0.034 0.000 2.077 162 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 162 E C 2.512 179.060 176.600 -0.087 0.000 0.989 162 E CA 1.652 58.023 56.400 -0.049 0.000 0.800 162 E CB -0.530 29.163 29.700 -0.011 0.000 0.746 162 E HN 0.670 nan 8.360 nan 0.000 0.452 163 S N -0.232 115.413 115.700 -0.092 0.000 2.359 163 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 163 S C 1.991 176.479 174.600 -0.188 0.000 1.035 163 S CA 1.572 59.706 58.200 -0.110 0.000 1.018 163 S CB -0.293 62.868 63.200 -0.065 0.000 0.876 163 S HN 0.437 nan 8.310 nan 0.000 0.448 164 Q N 0.143 119.737 119.800 -0.342 0.000 2.451 164 Q HA 0.068 4.407 4.340 -0.000 0.000 0.206 164 Q C 1.501 177.372 176.000 -0.216 0.000 0.947 164 Q CA 0.870 56.446 55.803 -0.378 0.000 0.937 164 Q CB 0.005 28.326 28.738 -0.696 0.000 1.025 164 Q HN 0.748 nan 8.270 nan 0.000 0.511 165 T N -3.300 111.151 114.554 -0.172 0.000 3.182 165 T HA 0.169 4.519 4.350 -0.000 0.000 0.277 165 T C 0.349 174.989 174.700 -0.099 0.000 1.013 165 T CA -0.429 61.606 62.100 -0.107 0.000 0.900 165 T CB 0.032 68.849 68.868 -0.085 0.000 1.098 165 T HN 0.119 nan 8.240 nan 0.000 0.543 166 N N 1.236 119.879 118.700 -0.095 0.000 2.725 166 N HA -0.218 4.521 4.740 -0.000 0.000 0.249 166 N C 1.076 176.536 175.510 -0.085 0.000 1.103 166 N CA 1.151 54.153 53.050 -0.081 0.000 0.707 166 N CB -1.551 36.891 38.487 -0.074 0.000 1.043 166 N HN 1.064 nan 8.380 nan 0.000 0.553 167 G N -0.856 107.894 108.800 -0.084 0.000 2.176 167 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.232 167 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.232 167 G C 0.979 175.823 174.900 -0.093 0.000 0.986 167 G CA 0.409 45.466 45.100 -0.072 0.000 0.643 167 G HN 0.415 nan 8.290 nan 0.000 0.522 168 I N 0.753 121.243 120.570 -0.133 0.000 2.235 168 I HA 0.127 4.297 4.170 -0.000 0.000 0.241 168 I C 0.985 177.015 176.117 -0.145 0.000 1.085 168 I CA 0.758 61.933 61.300 -0.208 0.000 1.378 168 I CB -0.068 37.707 38.000 -0.376 0.000 1.076 168 I HN 0.046 nan 8.210 nan 0.000 0.415 169 I N 2.967 123.481 120.570 -0.094 0.000 2.291 169 I HA 0.206 4.375 4.170 -0.000 0.000 0.292 169 I C 0.017 176.125 176.117 -0.016 0.000 1.064 169 I CA 0.305 61.586 61.300 -0.032 0.000 1.269 169 I CB -0.099 37.901 38.000 -0.001 0.000 1.418 169 I HN 0.192 nan 8.210 nan 0.000 0.485 170 R N 5.097 125.594 120.500 -0.005 0.000 2.637 170 R HA 0.426 4.765 4.340 -0.000 0.000 0.291 170 R C -0.086 176.225 176.300 0.018 0.000 0.963 170 R CA -0.843 55.260 56.100 0.005 0.000 0.901 170 R CB 1.146 31.445 30.300 -0.002 0.000 1.160 170 R HN 0.579 nan 8.270 nan 0.000 0.457 171 N N -0.246 118.470 118.700 0.026 0.000 2.783 171 N HA -0.196 4.544 4.740 -0.000 0.000 0.247 171 N C 0.673 176.204 175.510 0.035 0.000 1.089 171 N CA 0.296 53.363 53.050 0.029 0.000 0.690 171 N CB -0.866 37.633 38.487 0.021 0.000 0.991 171 N HN 0.380 nan 8.380 nan 0.000 0.552 172 V N -0.147 119.796 119.914 0.050 0.000 2.332 172 V HA -0.115 4.004 4.120 -0.000 0.000 0.248 172 V C 0.849 176.977 176.094 0.057 0.000 1.055 172 V CA 1.769 64.106 62.300 0.060 0.000 1.038 172 V CB 0.013 31.889 31.823 0.089 0.000 0.651 172 V HN 0.335 nan 8.190 nan 0.000 0.450 173 L N 2.239 123.496 121.223 0.056 0.000 2.307 173 L HA 0.386 4.726 4.340 -0.000 0.000 0.282 173 L C 0.089 176.978 176.870 0.032 0.000 1.051 173 L CA -0.456 54.411 54.840 0.045 0.000 0.804 173 L CB 1.341 43.428 42.059 0.047 0.000 1.197 173 L HN 0.345 nan 8.230 nan 0.000 0.431 174 Q N 2.972 122.787 119.800 0.024 0.000 2.256 174 Q HA 0.455 4.795 4.340 -0.000 0.000 0.232 174 Q C -2.676 173.333 176.000 0.015 0.000 0.965 174 Q CA -2.380 53.434 55.803 0.018 0.000 0.908 174 Q CB 0.402 29.149 28.738 0.014 0.000 1.209 174 Q HN 0.236 nan 8.270 nan 0.000 0.489 175 P HA -0.057 nan 4.420 nan 0.000 0.260 175 P C -0.329 176.976 177.300 0.007 0.000 1.172 175 P CA 0.861 63.968 63.100 0.012 0.000 0.760 175 P CB 0.356 32.062 31.700 0.011 0.000 0.773 176 S N 0.428 116.132 115.700 0.007 0.000 2.659 176 S HA -0.170 4.300 4.470 -0.000 0.000 0.264 176 S C 1.427 176.022 174.600 -0.007 0.000 1.310 176 S CA 1.256 59.456 58.200 0.001 0.000 1.262 176 S CB -2.099 61.101 63.200 -0.000 0.000 1.548 176 S HN 0.712 nan 8.310 nan 0.000 0.657 177 S N -0.411 115.285 115.700 -0.006 0.000 2.453 177 S HA 0.268 4.737 4.470 -0.000 0.000 0.231 177 S C 0.635 175.210 174.600 -0.041 0.000 1.005 177 S CA 0.633 58.823 58.200 -0.017 0.000 0.949 177 S CB 0.095 63.292 63.200 -0.005 0.000 0.774 177 S HN 0.439 nan 8.310 nan 0.000 0.510 178 V N 1.660 121.554 119.914 -0.033 0.000 2.555 178 V HA 0.345 4.464 4.120 -0.000 0.000 0.302 178 V C 0.806 176.880 176.094 -0.034 0.000 1.038 178 V CA -0.616 61.642 62.300 -0.069 0.000 0.887 178 V CB 1.421 33.242 31.823 -0.003 0.000 0.991 178 V HN 0.320 nan 8.190 nan 0.000 0.434 179 Q N 0.860 120.663 119.800 0.005 0.000 2.118 179 Q HA -0.253 4.086 4.340 -0.000 0.000 0.194 179 Q C 0.873 176.858 176.000 -0.026 0.000 0.710 179 Q CA 1.901 57.704 55.803 0.001 0.000 1.487 179 Q CB -2.218 26.519 28.738 -0.002 0.000 1.927 179 Q HN 0.988 nan 8.270 nan 0.000 0.642 180 T N -0.490 113.995 114.554 -0.116 0.000 2.902 180 T HA 0.425 4.775 4.350 -0.000 0.000 0.301 180 T C 1.325 175.927 174.700 -0.163 0.000 1.012 180 T CA 0.319 62.236 62.100 -0.305 0.000 1.151 180 T CB 1.281 69.672 68.868 -0.795 0.000 0.946 180 T HN 0.538 nan 8.240 nan 0.000 0.542 181 A N 3.625 126.424 122.820 -0.035 0.000 1.938 181 A HA 0.559 4.879 4.320 -0.000 0.000 0.207 181 A C 0.674 178.435 177.584 0.295 0.000 1.292 181 A CA 0.204 52.399 52.037 0.264 0.000 0.700 181 A CB 0.216 19.317 19.000 0.169 0.000 0.947 181 A HN 0.736 nan 8.150 nan 0.000 0.476 182 M N -0.140 119.517 119.600 0.096 0.000 2.365 182 M HA 0.546 5.025 4.480 -0.000 0.000 0.287 182 M C -2.409 173.964 176.300 0.123 0.000 1.154 182 M CA -0.381 55.032 55.300 0.188 0.000 0.941 182 M CB 2.307 34.971 32.600 0.106 0.000 1.704 182 M HN -0.049 nan 8.290 nan 0.000 0.479 183 V N 4.529 124.594 119.914 0.251 0.000 2.540 183 V HA 0.548 4.667 4.120 -0.000 0.000 0.302 183 V C -1.231 175.025 176.094 0.271 0.000 1.035 183 V CA -0.787 61.642 62.300 0.216 0.000 0.873 183 V CB 1.884 33.839 31.823 0.220 0.000 0.992 183 V HN 0.760 nan 8.190 nan 0.000 0.428 184 L N 7.709 129.064 121.223 0.220 0.000 2.262 184 L HA 0.704 5.044 4.340 -0.000 0.000 0.288 184 L C -0.280 176.738 176.870 0.246 0.000 1.035 184 L CA -0.044 54.926 54.840 0.218 0.000 0.820 184 L CB 1.377 43.550 42.059 0.189 0.000 1.204 184 L HN 0.552 nan 8.230 nan 0.000 0.424 185 V N 2.548 122.638 119.914 0.293 0.000 2.513 185 V HA 0.666 4.785 4.120 -0.000 0.000 0.299 185 V C -0.508 175.774 176.094 0.313 0.000 1.035 185 V CA -0.693 61.794 62.300 0.311 0.000 0.889 185 V CB 1.643 33.694 31.823 0.381 0.000 0.988 185 V HN 0.900 nan 8.190 nan 0.000 0.440 186 N N 2.592 121.465 118.700 0.289 0.000 2.599 186 N HA 0.628 5.368 4.740 -0.000 0.000 0.283 186 N C -1.127 174.529 175.510 0.243 0.000 1.160 186 N CA 0.040 53.270 53.050 0.300 0.000 0.869 186 N CB 2.050 40.735 38.487 0.330 0.000 1.448 186 N HN 1.212 nan 8.380 nan 0.000 0.535 187 A N 3.713 126.647 122.820 0.190 0.000 2.414 187 A HA 0.804 5.124 4.320 -0.000 0.000 0.306 187 A C -1.171 176.497 177.584 0.139 0.000 1.054 187 A CA -0.661 51.437 52.037 0.102 0.000 0.724 187 A CB 1.385 20.435 19.000 0.083 0.000 1.267 187 A HN 0.650 nan 8.150 nan 0.000 0.418 188 I N 1.808 122.475 120.570 0.162 0.000 2.692 188 I HA 0.615 4.785 4.170 -0.000 0.000 0.293 188 I C -1.732 174.586 176.117 0.334 0.000 1.200 188 I CA -0.648 60.820 61.300 0.279 0.000 1.036 188 I CB 2.099 40.318 38.000 0.365 0.000 1.258 188 I HN 0.426 nan 8.210 nan 0.000 0.421 189 V N 7.303 127.400 119.914 0.305 0.000 2.555 189 V HA 0.537 4.657 4.120 -0.000 0.000 0.302 189 V C -0.972 175.267 176.094 0.241 0.000 1.038 189 V CA -0.583 61.868 62.300 0.251 0.000 0.887 189 V CB 1.728 33.606 31.823 0.092 0.000 0.991 189 V HN 0.544 nan 8.190 nan 0.000 0.434 190 F N 4.606 124.537 119.950 -0.031 0.000 2.556 190 F HA 0.770 5.297 4.527 -0.000 0.000 0.314 190 F C -0.584 175.030 175.800 -0.310 0.000 1.106 190 F CA -0.785 56.984 58.000 -0.384 0.000 0.911 190 F CB 1.715 40.362 39.000 -0.589 0.000 1.190 190 F HN 0.429 nan 8.300 nan 0.000 0.448 191 K N 3.804 123.460 120.400 -1.240 0.000 2.513 191 K HA 0.732 5.052 4.320 -0.000 0.000 0.251 191 K C -1.204 174.614 176.600 -1.302 0.000 0.939 191 K CA -0.798 54.835 56.287 -1.090 0.000 0.793 191 K CB 1.980 34.190 32.500 -0.483 0.000 1.241 191 K HN 0.968 nan 8.250 nan 0.000 0.431 192 G N 3.056 111.159 108.800 -1.161 0.000 2.612 192 G HA2 0.520 4.480 3.960 -0.000 0.000 0.298 192 G HA3 0.520 4.480 3.960 -0.000 0.000 0.298 192 G C -1.473 173.311 174.900 -0.192 0.000 1.336 192 G CA -0.771 43.976 45.100 -0.588 0.000 0.953 192 G HN 0.466 nan 8.290 nan 0.000 0.482 193 L N 0.803 122.053 121.223 0.044 0.000 2.307 193 L HA 0.375 4.715 4.340 -0.000 0.000 0.282 193 L C -0.113 176.904 176.870 0.245 0.000 1.051 193 L CA -0.764 54.124 54.840 0.080 0.000 0.804 193 L CB 1.246 43.378 42.059 0.122 0.000 1.197 193 L HN 0.604 nan 8.230 nan 0.000 0.431 194 W N 2.038 123.467 121.300 0.215 0.000 2.170 194 W HA -0.018 4.642 4.660 -0.000 0.000 0.342 194 W C 1.410 177.969 176.519 0.066 0.000 1.294 194 W CA -0.456 56.919 57.345 0.049 0.000 1.246 194 W CB 0.538 29.996 29.460 -0.004 0.000 1.156 194 W HN 0.576 nan 8.180 nan 0.000 0.572 195 E N 1.732 122.128 120.200 0.326 0.000 2.058 195 E HA -0.158 4.191 4.350 -0.000 0.000 0.194 195 E C -0.074 176.591 176.600 0.109 0.000 0.997 195 E CA 1.564 58.074 56.400 0.183 0.000 0.801 195 E CB 0.075 29.846 29.700 0.119 0.000 0.746 195 E HN 0.244 nan 8.360 nan 0.000 0.450 196 K N 0.241 120.676 120.400 0.058 0.000 2.334 196 K HA 0.525 4.845 4.320 -0.000 0.000 0.265 196 K C -0.740 175.774 176.600 -0.143 0.000 1.039 196 K CA -0.349 55.890 56.287 -0.081 0.000 0.920 196 K CB 1.738 34.129 32.500 -0.180 0.000 1.160 196 K HN 0.126 nan 8.250 nan 0.000 0.451 197 A N 3.220 126.020 122.820 -0.033 0.000 2.406 197 A HA 0.309 4.629 4.320 -0.000 0.000 0.243 197 A C -0.530 176.957 177.584 -0.161 0.000 1.082 197 A CA -0.078 51.982 52.037 0.038 0.000 0.786 197 A CB 0.045 19.101 19.000 0.092 0.000 1.029 197 A HN 0.582 nan 8.150 nan 0.000 0.495 198 F N 0.700 120.657 119.950 0.011 0.000 2.375 198 F HA 0.328 4.855 4.527 -0.001 0.000 0.333 198 F C 0.970 176.770 175.800 0.001 0.000 1.104 198 F CA 0.063 58.038 58.000 -0.042 0.000 1.149 198 F CB 1.322 40.293 39.000 -0.048 0.000 1.190 198 F HN 0.435 nan 8.300 nan 0.000 0.533 199 K N 2.027 122.521 120.400 0.157 0.000 2.205 199 K HA 0.084 4.404 4.320 -0.000 0.000 0.279 199 K C 0.130 176.803 176.600 0.121 0.000 1.027 199 K CA -0.525 55.826 56.287 0.107 0.000 0.932 199 K CB 0.953 33.493 32.500 0.066 0.000 1.032 199 K HN 0.546 nan 8.250 nan 0.000 0.466 200 D N 2.383 122.840 120.400 0.093 0.000 2.182 200 D HA -0.211 4.429 4.640 -0.000 0.000 0.201 200 D C 1.572 177.915 176.300 0.071 0.000 0.986 200 D CA 1.492 55.538 54.000 0.077 0.000 0.847 200 D CB 0.222 41.056 40.800 0.055 0.000 0.942 200 D HN 0.692 nan 8.370 nan 0.000 0.467 201 E N 0.705 120.946 120.200 0.069 0.000 2.150 201 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 201 E C 0.917 177.567 176.600 0.083 0.000 0.985 201 E CA 0.868 57.305 56.400 0.063 0.000 0.814 201 E CB -0.176 29.556 29.700 0.053 0.000 0.752 201 E HN 0.098 nan 8.360 nan 0.000 0.466 202 D N 1.209 121.678 120.400 0.115 0.000 2.378 202 D HA -0.023 4.617 4.640 -0.000 0.000 0.222 202 D C 0.064 176.457 176.300 0.156 0.000 0.980 202 D CA 0.752 54.857 54.000 0.174 0.000 0.907 202 D CB -0.043 40.905 40.800 0.245 0.000 0.899 202 D HN 0.101 nan 8.370 nan 0.000 0.527 203 T N 1.900 116.517 114.554 0.105 0.000 2.856 203 T HA 0.278 4.628 4.350 -0.000 0.000 0.292 203 T C 0.270 175.007 174.700 0.061 0.000 0.980 203 T CA -0.468 61.677 62.100 0.074 0.000 1.091 203 T CB 1.616 70.507 68.868 0.040 0.000 0.936 203 T HN -0.115 nan 8.240 nan 0.000 0.503 204 Q N 0.898 120.735 119.800 0.061 0.000 2.421 204 Q HA 0.575 4.915 4.340 -0.000 0.000 0.280 204 Q C -0.723 175.303 176.000 0.042 0.000 1.085 204 Q CA -0.928 54.903 55.803 0.046 0.000 0.807 204 Q CB 2.257 31.021 28.738 0.044 0.000 1.405 204 Q HN 0.789 nan 8.270 nan 0.000 0.419 205 A N 2.493 125.331 122.820 0.030 0.000 2.548 205 A HA 0.424 4.744 4.320 -0.000 0.000 0.247 205 A C -0.188 177.415 177.584 0.032 0.000 1.067 205 A CA 0.661 52.715 52.037 0.028 0.000 0.757 205 A CB -0.076 18.935 19.000 0.020 0.000 0.996 205 A HN 0.683 nan 8.150 nan 0.000 0.504 206 M N 3.031 122.657 119.600 0.043 0.000 2.569 206 M HA 0.395 4.875 4.480 -0.000 0.000 0.279 206 M C -2.737 173.598 176.300 0.058 0.000 1.253 206 M CA -1.824 53.499 55.300 0.038 0.000 0.867 206 M CB 3.009 35.636 32.600 0.044 0.000 1.727 206 M HN 0.358 nan 8.290 nan 0.000 0.467 207 P HA 0.222 nan 4.420 nan 0.000 0.281 207 P C -1.422 175.945 177.300 0.113 0.000 1.252 207 P CA 0.000 63.136 63.100 0.059 0.000 0.778 207 P CB 0.187 31.892 31.700 0.009 0.000 0.895 208 F N 4.106 124.065 119.950 0.015 0.000 2.404 208 F HA 0.395 4.922 4.527 -0.000 0.000 0.354 208 F C 0.535 176.358 175.800 0.038 0.000 1.122 208 F CA -0.899 57.123 58.000 0.036 0.000 1.080 208 F CB 1.196 40.219 39.000 0.039 0.000 1.131 208 F HN 0.124 nan 8.300 nan 0.000 0.471 209 R N 5.641 125.987 120.500 -0.257 0.000 2.248 209 R HA 0.257 4.597 4.340 -0.000 0.000 0.337 209 R C 0.599 176.834 176.300 -0.108 0.000 1.106 209 R CA -0.325 55.697 56.100 -0.130 0.000 0.959 209 R CB 0.923 31.131 30.300 -0.153 0.000 1.075 209 R HN 0.657 nan 8.270 nan 0.000 0.480 210 V N 1.363 121.320 119.914 0.072 0.000 2.407 210 V HA -0.116 4.003 4.120 -0.000 0.000 0.245 210 V C 1.342 177.478 176.094 0.070 0.000 1.041 210 V CA 1.890 64.277 62.300 0.144 0.000 1.040 210 V CB -0.264 31.668 31.823 0.182 0.000 0.671 210 V HN 0.871 nan 8.190 nan 0.000 0.455 211 T N -2.981 111.595 114.554 0.035 0.000 2.773 211 T HA 0.370 4.720 4.350 -0.000 0.000 0.278 211 T C 0.561 175.250 174.700 -0.018 0.000 1.011 211 T CA -0.395 61.712 62.100 0.012 0.000 1.014 211 T CB 1.889 70.768 68.868 0.019 0.000 1.293 211 T HN 0.062 nan 8.240 nan 0.000 0.554 212 E N 0.096 120.281 120.200 -0.026 0.000 2.333 212 E HA 0.047 4.397 4.350 -0.000 0.000 0.198 212 E C 2.314 178.896 176.600 -0.030 0.000 1.007 212 E CA 1.834 58.209 56.400 -0.042 0.000 0.845 212 E CB -0.312 29.364 29.700 -0.041 0.000 0.766 212 E HN 0.760 nan 8.360 nan 0.000 0.507 213 Q N 0.541 120.332 119.800 -0.015 0.000 2.316 213 Q HA 0.184 4.524 4.340 -0.000 0.000 0.235 213 Q C 0.191 176.192 176.000 0.000 0.000 0.863 213 Q CA 0.355 56.153 55.803 -0.008 0.000 0.939 213 Q CB 0.249 nan 28.738 nan 0.000 1.108 213 Q HN 0.256 nan 8.270 nan 0.000 0.522 214 E N -0.054 120.151 120.200 0.008 0.000 2.234 214 E HA 0.613 4.963 4.350 -0.000 0.000 0.266 214 E C -1.307 175.314 176.600 0.034 0.000 0.877 214 E CA -0.685 55.729 56.400 0.023 0.000 0.758 214 E CB 2.246 31.965 29.700 0.033 0.000 1.170 214 E HN 0.223 nan 8.360 nan 0.000 0.415 215 S N 1.893 117.616 115.700 0.038 0.000 2.578 215 S HA 0.496 4.966 4.470 -0.000 0.000 0.301 215 S C -0.771 173.875 174.600 0.078 0.000 1.091 215 S CA -0.812 57.421 58.200 0.054 0.000 1.032 215 S CB 1.348 64.565 63.200 0.028 0.000 1.064 215 S HN 0.468 nan 8.310 nan 0.000 0.508 216 K N 2.088 122.558 120.400 0.118 0.000 2.468 216 K HA 0.473 4.792 4.320 -0.000 0.000 0.252 216 K C -3.161 173.496 176.600 0.094 0.000 0.932 216 K CA -2.199 54.144 56.287 0.093 0.000 0.794 216 K CB 1.960 34.515 32.500 0.092 0.000 1.241 216 K HN 0.243 nan 8.250 nan 0.000 0.428 217 P HA 0.016 nan 4.420 nan 0.000 0.271 217 P C -0.382 176.943 177.300 0.041 0.000 1.226 217 P CA -0.279 62.850 63.100 0.047 0.000 0.765 217 P CB 0.994 32.710 31.700 0.027 0.000 0.835 218 V N 0.969 120.915 119.914 0.053 0.000 3.102 218 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 218 V C -0.420 175.689 176.094 0.025 0.000 1.135 218 V CA -1.042 61.272 62.300 0.024 0.000 1.022 218 V CB 2.196 34.030 31.823 0.017 0.000 1.056 218 V HN 0.222 nan 8.190 nan 0.000 0.436 219 Q N 2.445 122.244 119.800 -0.001 0.000 2.344 219 Q HA 0.409 4.749 4.340 -0.000 0.000 0.253 219 Q C -0.603 175.397 176.000 0.000 0.000 1.050 219 Q CA 0.019 55.822 55.803 -0.000 0.000 0.912 219 Q CB 0.947 29.676 28.738 -0.016 0.000 1.258 219 Q HN 0.863 nan 8.270 nan 0.000 0.443 220 M N 3.803 123.425 119.600 0.036 0.000 2.080 220 M HA 0.311 4.791 4.480 -0.000 0.000 0.350 220 M C -0.739 175.580 176.300 0.031 0.000 1.173 220 M CA 0.100 55.436 55.300 0.060 0.000 1.052 220 M CB 0.647 33.329 32.600 0.137 0.000 1.577 220 M HN 0.492 nan 8.290 nan 0.000 0.455 221 M N 4.048 123.582 119.600 -0.111 0.000 2.228 221 M HA 0.308 4.788 4.480 -0.000 0.000 0.326 221 M C -1.086 175.192 176.300 -0.037 0.000 1.122 221 M CA -0.227 54.939 55.300 -0.223 0.000 1.161 221 M CB 0.741 32.848 32.600 -0.822 0.000 1.437 221 M HN 0.677 nan 8.290 nan 0.000 0.465 222 Y N 1.721 122.010 120.300 -0.018 0.000 2.504 222 Y HA 0.516 5.065 4.550 -0.000 0.000 0.344 222 Y C -1.272 174.714 175.900 0.142 0.000 1.023 222 Y CA -0.707 57.345 58.100 -0.080 0.000 1.020 222 Y CB 1.609 39.924 38.460 -0.242 0.000 1.282 222 Y HN 0.746 nan 8.280 nan 0.000 0.454 223 Q N 4.983 124.350 119.800 -0.723 0.000 2.578 223 Q HA 0.617 4.956 4.340 -0.000 0.000 0.284 223 Q C -2.285 173.264 176.000 -0.751 0.000 0.960 223 Q CA -0.989 54.331 55.803 -0.805 0.000 0.809 223 Q CB 2.251 30.649 28.738 -0.568 0.000 1.462 223 Q HN 0.719 nan 8.270 nan 0.000 0.392 224 I N 1.027 121.285 120.570 -0.520 0.000 2.404 224 I HA 0.850 5.020 4.170 -0.000 0.000 0.293 224 I C 0.085 176.099 176.117 -0.172 0.000 0.992 224 I CA -0.473 60.683 61.300 -0.239 0.000 1.149 224 I CB 1.875 39.772 38.000 -0.172 0.000 1.315 224 I HN 0.908 nan 8.210 nan 0.000 0.446 225 G N 5.030 113.760 108.800 -0.116 0.000 2.490 225 G HA2 0.417 4.376 3.960 -0.000 0.000 0.308 225 G HA3 0.417 4.376 3.960 -0.000 0.000 0.308 225 G C -2.095 172.515 174.900 -0.484 0.000 1.286 225 G CA -0.780 44.097 45.100 -0.371 0.000 0.825 225 G HN 0.356 nan 8.290 nan 0.000 0.479 226 L N 0.470 121.311 121.223 -0.637 0.000 2.281 226 L HA 0.775 5.115 4.340 -0.000 0.000 0.285 226 L C -1.307 175.109 176.870 -0.757 0.000 1.074 226 L CA -0.182 54.359 54.840 -0.498 0.000 0.817 226 L CB 0.017 41.878 42.059 -0.329 0.000 1.168 226 L HN 0.328 nan 8.230 nan 0.000 0.434 227 F N 2.986 122.857 119.950 -0.130 0.000 2.599 227 F HA 0.565 5.092 4.527 -0.001 0.000 0.311 227 F C 0.014 175.745 175.800 -0.115 0.000 1.076 227 F CA -0.914 56.995 58.000 -0.151 0.000 0.937 227 F CB 1.485 40.358 39.000 -0.213 0.000 1.282 227 F HN 0.266 nan 8.300 nan 0.000 0.460 228 R N 1.154 121.714 120.500 0.099 0.000 2.438 228 R HA 0.651 4.990 4.340 -0.000 0.000 0.287 228 R C -1.086 175.217 176.300 0.006 0.000 1.077 228 R CA -0.476 55.648 56.100 0.039 0.000 1.034 228 R CB 1.370 31.689 30.300 0.032 0.000 0.993 228 R HN 0.463 nan 8.270 nan 0.000 0.459 229 V N 0.936 120.853 119.914 0.005 0.000 3.120 229 V HA 0.754 4.874 4.120 -0.000 0.000 0.303 229 V C -1.583 174.522 176.094 0.018 0.000 1.238 229 V CA -0.573 61.717 62.300 -0.017 0.000 1.008 229 V CB 2.284 34.100 31.823 -0.011 0.000 1.064 229 V HN 0.911 nan 8.190 nan 0.000 0.434 230 A N 3.315 126.150 122.820 0.025 0.000 2.393 230 A HA 0.876 5.196 4.320 -0.000 0.000 0.306 230 A C -0.589 177.013 177.584 0.030 0.000 1.050 230 A CA -0.449 51.607 52.037 0.031 0.000 0.724 230 A CB 1.991 21.014 19.000 0.039 0.000 1.248 230 A HN 0.888 nan 8.150 nan 0.000 0.424 231 S N 1.651 117.365 115.700 0.022 0.000 2.433 231 S HA 0.496 4.966 4.470 -0.000 0.000 0.310 231 S C -0.352 174.232 174.600 -0.026 0.000 1.097 231 S CA -0.183 58.022 58.200 0.007 0.000 1.103 231 S CB 0.547 63.760 63.200 0.021 0.000 0.992 231 S HN 0.633 nan 8.310 nan 0.000 0.469 232 M N 3.517 123.073 119.600 -0.073 0.000 2.208 232 M HA 0.314 4.794 4.480 -0.000 0.000 0.352 232 M C 1.138 177.397 176.300 -0.069 0.000 1.137 232 M CA -0.392 54.852 55.300 -0.093 0.000 1.091 232 M CB 0.783 33.263 32.600 -0.199 0.000 1.309 232 M HN 0.846 nan 8.290 nan 0.000 0.408 233 A N 1.072 123.872 122.820 -0.033 0.000 1.940 233 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 233 A C 2.153 179.724 177.584 -0.021 0.000 1.190 233 A CA 2.756 54.781 52.037 -0.021 0.000 0.647 233 A CB -0.731 18.265 19.000 -0.008 0.000 0.821 233 A HN 0.783 nan 8.150 nan 0.000 0.457 234 S N -0.798 114.893 115.700 -0.015 0.000 2.377 234 S HA -0.053 4.417 4.470 -0.000 0.000 0.223 234 S C 1.560 176.158 174.600 -0.004 0.000 1.030 234 S CA 1.253 59.455 58.200 0.002 0.000 0.970 234 S CB -0.310 62.905 63.200 0.024 0.000 0.830 234 S HN 0.518 nan 8.310 nan 0.000 0.473 235 E N 1.319 121.497 120.200 -0.037 0.000 2.481 235 E HA 0.206 4.556 4.350 -0.000 0.000 0.195 235 E C -0.260 176.299 176.600 -0.070 0.000 1.047 235 E CA 0.023 56.390 56.400 -0.056 0.000 0.867 235 E CB -0.283 29.317 29.700 -0.166 0.000 0.858 235 E HN 0.481 nan 8.360 nan 0.000 0.513 236 K N 0.174 120.535 120.400 -0.065 0.000 3.244 236 K HA -0.216 4.104 4.320 -0.000 0.000 0.270 236 K C -0.361 176.198 176.600 -0.069 0.000 1.016 236 K CA 0.877 57.132 56.287 -0.053 0.000 0.754 236 K CB -2.036 30.445 32.500 -0.031 0.000 1.326 236 K HN 0.301 nan 8.250 nan 0.000 0.465 237 M N -2.223 117.312 119.600 -0.108 0.000 2.683 237 M HA 0.583 5.062 4.480 -0.000 0.000 0.274 237 M C -1.477 174.771 176.300 -0.088 0.000 1.272 237 M CA -1.139 54.094 55.300 -0.112 0.000 0.833 237 M CB 2.289 34.771 32.600 -0.196 0.000 1.708 237 M HN -0.057 nan 8.290 nan 0.000 0.463 238 K N 0.848 121.239 120.400 -0.016 0.000 2.480 238 K HA 0.823 5.143 4.320 -0.000 0.000 0.258 238 K C -1.554 175.166 176.600 0.201 0.000 0.990 238 K CA -0.779 55.566 56.287 0.097 0.000 0.857 238 K CB 3.102 35.744 32.500 0.237 0.000 1.384 238 K HN 0.672 nan 8.250 nan 0.000 0.446 239 I N 2.238 122.900 120.570 0.152 0.000 2.533 239 I HA 0.348 4.517 4.170 -0.000 0.000 0.290 239 I C -1.363 174.692 176.117 -0.105 0.000 1.056 239 I CA -1.131 60.218 61.300 0.081 0.000 1.057 239 I CB 1.912 39.951 38.000 0.066 0.000 1.240 239 I HN 0.383 nan 8.210 nan 0.000 0.423 240 L N 5.695 126.706 121.223 -0.355 0.000 2.362 240 L HA 0.532 4.872 4.340 -0.000 0.000 0.271 240 L C -0.613 176.067 176.870 -0.316 0.000 1.002 240 L CA -0.062 54.426 54.840 -0.588 0.000 0.818 240 L CB 1.983 43.138 42.059 -1.506 0.000 1.298 240 L HN 0.624 nan 8.230 nan 0.000 0.420 241 E N 4.365 124.441 120.200 -0.206 0.000 2.113 241 E HA 0.506 4.856 4.350 -0.000 0.000 0.273 241 E C -1.726 174.806 176.600 -0.113 0.000 0.924 241 E CA -0.544 55.803 56.400 -0.089 0.000 0.764 241 E CB 0.984 30.691 29.700 0.010 0.000 1.104 241 E HN 0.686 nan 8.360 nan 0.000 0.406 242 L N 7.397 128.533 121.223 -0.145 0.000 2.298 242 L HA 0.448 4.787 4.340 -0.000 0.000 0.284 242 L C -2.181 174.688 176.870 -0.001 0.000 1.013 242 L CA -2.170 52.549 54.840 -0.202 0.000 0.824 242 L CB 1.525 43.232 42.059 -0.586 0.000 1.221 242 L HN 0.474 nan 8.230 nan 0.000 0.418 243 P HA 0.135 nan 4.420 nan 0.000 0.276 243 P C -0.290 177.116 177.300 0.177 0.000 1.235 243 P CA -0.065 63.123 63.100 0.146 0.000 0.772 243 P CB 0.728 32.508 31.700 0.134 0.000 0.871 244 F N 1.186 121.342 119.950 0.344 0.000 2.192 244 F HA 0.017 4.544 4.527 -0.000 0.000 0.187 244 F C 2.235 178.177 175.800 0.237 0.000 0.671 244 F CA 0.596 58.772 58.000 0.292 0.000 1.101 244 F CB -1.412 37.716 39.000 0.213 0.000 2.219 244 F HN 0.226 nan 8.300 nan 0.000 0.677 245 S N 0.076 115.916 115.700 0.234 0.000 2.828 245 S HA -0.262 4.208 4.470 -0.000 0.000 0.411 245 S C 1.200 175.923 174.600 0.205 0.000 1.098 245 S CA 1.100 59.427 58.200 0.211 0.000 1.063 245 S CB -1.769 61.552 63.200 0.202 0.000 0.857 245 S HN 1.265 nan 8.310 nan 0.000 0.589 246 G N -0.718 108.207 108.800 0.209 0.000 2.143 246 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.248 246 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.248 246 G C 0.550 175.521 174.900 0.118 0.000 0.991 246 G CA 1.076 46.265 45.100 0.149 0.000 0.689 246 G HN 1.183 nan 8.290 nan 0.000 0.522 247 T N -3.259 111.379 114.554 0.140 0.000 2.975 247 T HA 0.667 5.016 4.350 -0.000 0.000 0.257 247 T C 0.828 175.528 174.700 0.001 0.000 1.003 247 T CA 0.756 62.873 62.100 0.028 0.000 0.932 247 T CB 0.352 69.261 68.868 0.068 0.000 1.087 247 T HN 0.411 nan 8.240 nan 0.000 0.512 248 M N 1.536 121.227 119.600 0.150 0.000 2.658 248 M HA 0.680 5.160 4.480 -0.000 0.000 0.295 248 M C -1.059 175.475 176.300 0.389 0.000 1.248 248 M CA -0.858 54.572 55.300 0.216 0.000 0.843 248 M CB 2.779 35.470 32.600 0.152 0.000 1.749 248 M HN 0.219 nan 8.290 nan 0.000 0.464 249 S N 0.830 116.768 115.700 0.396 0.000 2.570 249 S HA 0.717 5.187 4.470 -0.000 0.000 0.270 249 S C -1.193 173.663 174.600 0.427 0.000 1.149 249 S CA -1.032 57.412 58.200 0.407 0.000 0.837 249 S CB 1.920 65.255 63.200 0.224 0.000 1.124 249 S HN 0.857 nan 8.310 nan 0.000 0.465 250 M N 2.479 122.302 119.600 0.371 0.000 2.144 250 M HA 0.506 4.986 4.480 -0.000 0.000 0.356 250 M C -1.769 174.657 176.300 0.211 0.000 1.217 250 M CA -0.726 54.799 55.300 0.374 0.000 1.087 250 M CB 0.427 33.289 32.600 0.438 0.000 1.609 250 M HN 0.725 nan 8.290 nan 0.000 0.467 251 L N 5.742 127.100 121.223 0.225 0.000 2.282 251 L HA 0.544 4.883 4.340 -0.000 0.000 0.288 251 L C -0.922 176.058 176.870 0.183 0.000 1.033 251 L CA -0.909 54.023 54.840 0.153 0.000 0.807 251 L CB 1.558 43.735 42.059 0.195 0.000 1.209 251 L HN 0.419 nan 8.230 nan 0.000 0.423 252 V N 4.750 124.702 119.914 0.064 0.000 2.398 252 V HA 0.358 4.478 4.120 -0.000 0.000 0.286 252 V C -0.218 176.001 176.094 0.208 0.000 1.026 252 V CA -0.537 61.844 62.300 0.135 0.000 0.868 252 V CB 1.716 33.513 31.823 -0.043 0.000 0.982 252 V HN 0.414 nan 8.190 nan 0.000 0.443 253 L N 6.271 127.657 121.223 0.273 0.000 2.277 253 L HA 0.553 4.892 4.340 -0.000 0.000 0.284 253 L C -0.535 176.470 176.870 0.224 0.000 1.028 253 L CA 0.062 55.040 54.840 0.230 0.000 0.835 253 L CB 1.217 43.416 42.059 0.234 0.000 1.215 253 L HN 0.534 nan 8.230 nan 0.000 0.425 254 L N 6.855 128.175 121.223 0.161 0.000 2.333 254 L HA 0.741 5.081 4.340 -0.000 0.000 0.280 254 L C -2.299 174.568 176.870 -0.004 0.000 1.004 254 L CA -1.453 53.391 54.840 0.006 0.000 0.820 254 L CB 1.692 43.565 42.059 -0.311 0.000 1.247 254 L HN 0.241 nan 8.230 nan 0.000 0.416 255 P HA 0.076 nan 4.420 nan 0.000 0.338 255 P C -0.536 176.834 177.300 0.117 0.000 1.428 255 P CA -0.368 62.779 63.100 0.078 0.000 0.867 255 P CB 0.102 31.878 31.700 0.128 0.000 2.125 256 E N -1.590 118.556 120.200 -0.090 0.000 3.653 256 E HA -0.146 4.204 4.350 -0.000 0.000 0.341 256 E C 1.647 178.081 176.600 -0.276 0.000 0.843 256 E CA 0.614 56.900 56.400 -0.189 0.000 1.070 256 E CB -0.867 28.778 29.700 -0.093 0.000 1.071 256 E HN 0.193 nan 8.360 nan 0.000 0.490 257 V N 1.476 121.148 119.914 -0.403 0.000 2.453 257 V HA -0.251 3.869 4.120 -0.000 0.000 0.252 257 V C 2.023 178.077 176.094 -0.066 0.000 1.068 257 V CA 2.604 64.691 62.300 -0.356 0.000 1.070 257 V CB -0.466 31.189 31.823 -0.281 0.000 0.664 257 V HN 0.919 nan 8.190 nan 0.000 0.461 258 S N -0.748 114.926 115.700 -0.043 0.000 2.651 258 S HA 0.273 4.743 4.470 -0.000 0.000 0.246 258 S C 1.471 176.098 174.600 0.046 0.000 1.039 258 S CA 0.254 58.467 58.200 0.022 0.000 1.013 258 S CB 0.645 63.849 63.200 0.007 0.000 0.861 258 S HN 0.447 nan 8.310 nan 0.000 0.485 259 G N 1.348 110.182 108.800 0.057 0.000 2.708 259 G HA2 0.002 3.962 3.960 -0.000 0.000 0.210 259 G HA3 0.002 3.962 3.960 -0.000 0.000 0.210 259 G C 1.024 175.986 174.900 0.104 0.000 1.141 259 G CA 0.614 45.755 45.100 0.069 0.000 0.788 259 G HN 0.536 nan 8.290 nan 0.000 0.531 260 L N 0.448 121.748 121.223 0.129 0.000 2.131 260 L HA 0.069 4.408 4.340 -0.000 0.000 0.206 260 L C 2.688 179.658 176.870 0.166 0.000 1.087 260 L CA 2.074 57.012 54.840 0.164 0.000 0.767 260 L CB -0.597 41.569 42.059 0.177 0.000 0.917 260 L HN 0.203 nan 8.230 nan 0.000 0.441 261 E N -0.921 119.357 120.200 0.131 0.000 2.070 261 E HA -0.344 4.006 4.350 -0.000 0.000 0.197 261 E C 2.279 178.950 176.600 0.118 0.000 1.004 261 E CA 1.677 58.148 56.400 0.118 0.000 0.805 261 E CB -0.642 29.108 29.700 0.083 0.000 0.744 261 E HN 0.733 nan 8.360 nan 0.000 0.451 262 Q N -0.571 119.290 119.800 0.102 0.000 2.084 262 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 262 Q C 2.433 178.516 176.000 0.139 0.000 0.978 262 Q CA 1.657 57.521 55.803 0.101 0.000 0.844 262 Q CB -0.867 27.916 28.738 0.076 0.000 0.898 262 Q HN 0.621 nan 8.270 nan 0.000 0.426 263 L N 0.742 122.058 121.223 0.157 0.000 2.046 263 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 263 L C 2.240 179.275 176.870 0.276 0.000 1.077 263 L CA 2.454 57.419 54.840 0.208 0.000 0.747 263 L CB -0.642 41.524 42.059 0.178 0.000 0.896 263 L HN 0.430 nan 8.230 nan 0.000 0.432 264 E N -0.693 119.677 120.200 0.283 0.000 2.153 264 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 264 E C 2.071 178.834 176.600 0.271 0.000 0.988 264 E CA 1.205 57.826 56.400 0.369 0.000 0.811 264 E CB -0.109 29.833 29.700 0.404 0.000 0.746 264 E HN 0.571 nan 8.360 nan 0.000 0.466 265 S N 1.254 117.066 115.700 0.186 0.000 2.365 265 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 265 S C 2.212 176.879 174.600 0.111 0.000 1.039 265 S CA 1.587 59.863 58.200 0.127 0.000 1.033 265 S CB -0.339 62.920 63.200 0.099 0.000 0.887 265 S HN 0.459 nan 8.310 nan 0.000 0.447 266 I N -1.375 119.280 120.570 0.140 0.000 3.462 266 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 266 I C 0.730 176.869 176.117 0.037 0.000 1.236 266 I CA -0.255 61.108 61.300 0.106 0.000 1.418 266 I CB 0.038 38.142 38.000 0.172 0.000 1.102 266 I HN 0.106 nan 8.210 nan 0.000 0.441 267 I N 4.048 124.674 120.570 0.094 0.000 2.648 267 I HA 0.102 4.272 4.170 -0.000 0.000 0.284 267 I C -0.492 175.348 176.117 -0.462 0.000 1.153 267 I CA 0.240 61.483 61.300 -0.095 0.000 1.426 267 I CB 0.187 38.276 38.000 0.147 0.000 1.381 267 I HN 0.600 nan 8.210 nan 0.000 0.571 268 N N 4.938 123.187 118.700 -0.753 0.000 3.277 268 N HA 0.137 4.876 4.740 -0.000 0.000 0.278 268 N C 0.020 175.054 175.510 -0.793 0.000 1.544 268 N CA -0.737 51.766 53.050 -0.913 0.000 0.869 268 N CB -0.036 38.212 38.487 -0.398 0.000 1.584 268 N HN 0.415 nan 8.380 nan 0.000 0.564 269 F N 0.908 120.540 119.950 -0.529 0.000 2.065 269 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 269 F C 1.859 177.526 175.800 -0.221 0.000 1.112 269 F CA 1.987 59.871 58.000 -0.192 0.000 1.212 269 F CB -0.285 38.696 39.000 -0.032 0.000 0.975 269 F HN 0.493 nan 8.300 nan 0.000 0.476 270 E N 0.765 120.636 120.200 -0.548 0.000 2.038 270 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 270 E C 2.277 178.518 176.600 -0.599 0.000 1.000 270 E CA 1.334 57.375 56.400 -0.598 0.000 0.803 270 E CB -0.484 29.003 29.700 -0.354 0.000 0.750 270 E HN 0.411 nan 8.360 nan 0.000 0.448 271 K N 0.595 120.593 120.400 -0.670 0.000 2.009 271 K HA -0.148 4.172 4.320 -0.000 0.000 0.210 271 K C 2.320 178.165 176.600 -1.258 0.000 1.049 271 K CA 0.598 56.229 56.287 -1.092 0.000 0.929 271 K CB -0.679 31.053 32.500 -1.280 0.000 0.714 271 K HN 0.081 nan 8.250 nan 0.000 0.440 272 L N 1.565 122.316 121.223 -0.787 0.000 2.046 272 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 272 L C 2.129 178.903 176.870 -0.161 0.000 1.077 272 L CA 1.907 56.572 54.840 -0.291 0.000 0.747 272 L CB -0.885 41.186 42.059 0.020 0.000 0.896 272 L HN 0.151 nan 8.230 nan 0.000 0.432 273 T N -0.837 113.543 114.554 -0.290 0.000 2.684 273 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 273 T C 1.753 176.367 174.700 -0.144 0.000 1.036 273 T CA 1.692 63.663 62.100 -0.215 0.000 1.148 273 T CB -0.224 68.388 68.868 -0.427 0.000 0.863 273 T HN 0.463 nan 8.240 nan 0.000 0.436 274 E N -0.431 119.630 120.200 -0.231 0.000 2.058 274 E HA -0.165 4.184 4.350 -0.000 0.000 0.194 274 E C 1.964 178.612 176.600 0.080 0.000 0.997 274 E CA 1.273 57.602 56.400 -0.119 0.000 0.801 274 E CB -0.032 29.539 29.700 -0.215 0.000 0.746 274 E HN 0.553 nan 8.360 nan 0.000 0.450 275 W N 0.134 121.426 121.300 -0.013 0.000 2.402 275 W HA -0.045 4.615 4.660 -0.000 0.000 0.286 275 W C 2.165 178.701 176.519 0.028 0.000 1.221 275 W CA 1.664 59.019 57.345 0.016 0.000 1.257 275 W CB -0.953 28.526 29.460 0.032 0.000 1.120 275 W HN 0.219 nan 8.180 nan 0.000 0.551 276 T N -3.516 111.175 114.554 0.228 0.000 3.129 276 T HA 0.183 4.532 4.350 -0.000 0.000 0.267 276 T C 0.722 175.486 174.700 0.108 0.000 1.018 276 T CA 0.071 62.271 62.100 0.167 0.000 0.903 276 T CB -0.106 68.871 68.868 0.181 0.000 1.067 276 T HN -0.086 nan 8.240 nan 0.000 0.549 277 S N 0.962 116.714 115.700 0.088 0.000 2.546 277 S HA 0.130 4.600 4.470 -0.000 0.000 0.290 277 S C 1.506 176.141 174.600 0.057 0.000 1.290 277 S CA -0.208 58.027 58.200 0.058 0.000 1.069 277 S CB 0.474 63.699 63.200 0.042 0.000 0.846 277 S HN 0.355 nan 8.310 nan 0.000 0.495 278 S N 4.185 119.913 115.700 0.046 0.000 2.423 278 S HA -0.130 4.339 4.470 -0.000 0.000 0.238 278 S C 1.742 176.364 174.600 0.035 0.000 1.028 278 S CA 1.340 59.564 58.200 0.039 0.000 1.000 278 S CB -0.515 62.705 63.200 0.033 0.000 0.797 278 S HN 0.837 nan 8.310 nan 0.000 0.487 279 N N 0.447 119.168 118.700 0.035 0.000 2.453 279 N HA -0.034 4.705 4.740 -0.000 0.000 0.183 279 N C 0.357 175.890 175.510 0.039 0.000 1.041 279 N CA 0.752 53.822 53.050 0.032 0.000 0.900 279 N CB 0.223 38.727 38.487 0.028 0.000 0.961 279 N HN 0.222 nan 8.380 nan 0.000 0.443 280 V N 1.528 121.472 119.914 0.051 0.000 2.854 280 V HA 0.156 4.276 4.120 -0.000 0.000 0.366 280 V C -0.362 175.764 176.094 0.054 0.000 1.322 280 V CA -0.068 62.268 62.300 0.060 0.000 1.243 280 V CB 0.061 31.938 31.823 0.090 0.000 1.337 280 V HN 0.062 nan 8.190 nan 0.000 0.585 281 E N 1.379 121.580 120.200 0.001 0.000 2.175 281 E HA 0.701 5.051 4.350 -0.000 0.000 0.278 281 E C -0.417 176.174 176.600 -0.015 0.000 0.969 281 E CA -0.511 55.881 56.400 -0.013 0.000 0.796 281 E CB 2.003 31.681 29.700 -0.035 0.000 1.104 281 E HN 0.335 nan 8.360 nan 0.000 0.395 282 R N 0.605 121.099 120.500 -0.010 0.000 2.698 282 R HA 0.244 4.583 4.340 -0.000 0.000 0.275 282 R C -0.966 175.326 176.300 -0.014 0.000 1.001 282 R CA -0.868 55.231 56.100 -0.003 0.000 0.896 282 R CB 2.155 32.469 30.300 0.024 0.000 1.218 282 R HN 0.135 nan 8.270 nan 0.000 0.462 283 K N 3.049 123.435 120.400 -0.023 0.000 2.339 283 K HA 0.414 4.734 4.320 -0.000 0.000 0.286 283 K C -0.496 176.119 176.600 0.025 0.000 1.050 283 K CA -0.011 56.257 56.287 -0.032 0.000 0.956 283 K CB 0.005 32.480 32.500 -0.042 0.000 0.990 283 K HN 0.570 nan 8.250 nan 0.000 0.475 284 I N 2.253 122.860 120.570 0.062 0.000 2.918 284 I HA 0.419 4.589 4.170 -0.000 0.000 0.301 284 I C -1.018 175.165 176.117 0.110 0.000 1.312 284 I CA -0.927 60.440 61.300 0.111 0.000 1.007 284 I CB 2.191 40.276 38.000 0.143 0.000 1.281 284 I HN 0.632 nan 8.210 nan 0.000 0.440 285 K N 4.782 125.264 120.400 0.137 0.000 2.227 285 K HA 0.526 4.846 4.320 -0.000 0.000 0.280 285 K C -1.234 175.452 176.600 0.144 0.000 1.041 285 K CA -0.507 55.859 56.287 0.132 0.000 0.905 285 K CB 1.715 34.404 32.500 0.315 0.000 1.068 285 K HN 0.274 nan 8.250 nan 0.000 0.470 286 V N 4.369 124.256 119.914 -0.046 0.000 2.435 286 V HA 0.299 4.418 4.120 -0.000 0.000 0.290 286 V C -1.030 175.067 176.094 0.005 0.000 1.030 286 V CA -0.874 61.437 62.300 0.018 0.000 0.881 286 V CB 0.634 32.323 31.823 -0.223 0.000 0.983 286 V HN 0.560 nan 8.190 nan 0.000 0.445 287 Y N 5.054 125.465 120.300 0.185 0.000 2.328 287 Y HA 0.754 5.304 4.550 -0.000 0.000 0.336 287 Y C -0.339 175.562 175.900 0.002 0.000 0.960 287 Y CA -0.750 57.432 58.100 0.137 0.000 1.134 287 Y CB 1.857 40.377 38.460 0.100 0.000 1.166 287 Y HN 0.546 nan 8.280 nan 0.000 0.464 288 L N 6.822 128.031 121.223 -0.024 0.000 2.431 288 L HA 0.739 5.078 4.340 -0.000 0.000 0.266 288 L C -2.787 173.998 176.870 -0.142 0.000 0.978 288 L CA -2.417 52.342 54.840 -0.135 0.000 0.822 288 L CB 2.314 44.209 42.059 -0.273 0.000 1.310 288 L HN 0.254 nan 8.230 nan 0.000 0.409 289 P HA 0.112 nan 4.420 nan 0.000 0.268 289 P C -0.924 176.309 177.300 -0.112 0.000 1.205 289 P CA -0.136 62.947 63.100 -0.028 0.000 0.771 289 P CB 0.421 32.127 31.700 0.009 0.000 0.858 290 R N 2.802 123.230 120.500 -0.121 0.000 2.538 290 R HA 0.190 4.529 4.340 -0.000 0.000 0.282 290 R C 0.379 176.595 176.300 -0.140 0.000 1.009 290 R CA 0.578 56.607 56.100 -0.119 0.000 1.063 290 R CB -0.102 30.142 30.300 -0.093 0.000 0.945 290 R HN 0.568 nan 8.270 nan 0.000 0.414 291 M N 2.311 121.813 119.600 -0.163 0.000 2.395 291 M HA 0.275 4.754 4.480 -0.000 0.000 0.307 291 M C -0.517 175.627 176.300 -0.259 0.000 1.091 291 M CA -0.528 54.633 55.300 -0.232 0.000 0.919 291 M CB 2.515 34.944 32.600 -0.285 0.000 1.662 291 M HN 0.285 nan 8.290 nan 0.000 0.440 292 K N 4.213 124.452 120.400 -0.268 0.000 2.521 292 K HA 0.483 4.803 4.320 -0.000 0.000 0.248 292 K C -1.380 174.992 176.600 -0.380 0.000 0.978 292 K CA -0.370 55.728 56.287 -0.315 0.000 0.947 292 K CB 0.942 33.323 32.500 -0.199 0.000 1.165 292 K HN 0.661 nan 8.250 nan 0.000 0.445 293 M N 2.908 122.174 119.600 -0.557 0.000 2.180 293 M HA 0.308 4.788 4.480 -0.000 0.000 0.350 293 M C -0.668 175.381 176.300 -0.418 0.000 1.125 293 M CA -0.120 54.853 55.300 -0.546 0.000 1.031 293 M CB 1.367 33.361 32.600 -1.010 0.000 1.623 293 M HN 0.582 nan 8.290 nan 0.000 0.451 294 E N 2.494 122.615 120.200 -0.132 0.000 2.313 294 E HA 0.305 4.654 4.350 -0.000 0.000 0.280 294 E C -1.459 175.191 176.600 0.083 0.000 0.898 294 E CA -0.222 56.203 56.400 0.041 0.000 0.803 294 E CB 1.882 31.625 29.700 0.072 0.000 1.286 294 E HN 0.561 nan 8.360 nan 0.000 0.401 295 E N 2.467 122.746 120.200 0.133 0.000 2.393 295 E HA 0.470 4.820 4.350 -0.000 0.000 0.273 295 E C -1.135 175.325 176.600 -0.233 0.000 0.918 295 E CA -0.790 55.563 56.400 -0.078 0.000 0.773 295 E CB 2.699 32.395 29.700 -0.008 0.000 1.275 295 E HN 0.304 nan 8.360 nan 0.000 0.451 296 K N 1.326 121.432 120.400 -0.490 0.000 2.464 296 K HA 0.485 4.805 4.320 -0.000 0.000 0.253 296 K C -1.668 174.555 176.600 -0.628 0.000 0.933 296 K CA -0.587 55.471 56.287 -0.381 0.000 0.801 296 K CB 1.291 33.699 32.500 -0.153 0.000 1.271 296 K HN 0.377 nan 8.250 nan 0.000 0.430 297 Y N 1.212 121.577 120.300 0.107 0.000 2.391 297 Y HA 0.222 4.771 4.550 -0.000 0.000 0.341 297 Y C 0.169 176.118 175.900 0.081 0.000 0.965 297 Y CA -1.200 56.955 58.100 0.092 0.000 1.067 297 Y CB 1.568 40.075 38.460 0.080 0.000 1.199 297 Y HN 0.542 nan 8.280 nan 0.000 0.450 298 N N 3.750 122.564 118.700 0.190 0.000 2.399 298 N HA 0.003 4.743 4.740 -0.000 0.000 0.284 298 N C 0.663 176.211 175.510 0.063 0.000 1.283 298 N CA 0.595 53.699 53.050 0.090 0.000 0.972 298 N CB 0.328 38.834 38.487 0.031 0.000 1.328 298 N HN 0.864 nan 8.380 nan 0.000 0.486 299 L N 2.030 123.300 121.223 0.079 0.000 2.265 299 L HA -0.158 4.181 4.340 -0.000 0.000 0.215 299 L C 1.822 178.628 176.870 -0.106 0.000 1.117 299 L CA 0.895 55.762 54.840 0.045 0.000 0.782 299 L CB -0.350 41.791 42.059 0.136 0.000 0.914 299 L HN 0.481 nan 8.230 nan 0.000 0.441 300 T N -0.550 113.846 114.554 -0.262 0.000 2.643 300 T HA -0.187 4.163 4.350 -0.000 0.000 0.264 300 T C 2.102 176.494 174.700 -0.513 0.000 1.045 300 T CA 1.817 63.465 62.100 -0.754 0.000 1.155 300 T CB -0.299 68.145 68.868 -0.706 0.000 0.863 300 T HN 0.525 nan 8.240 nan 0.000 0.420 301 S N 1.721 117.245 115.700 -0.293 0.000 2.370 301 S HA -0.115 4.355 4.470 -0.000 0.000 0.226 301 S C 2.252 176.739 174.600 -0.188 0.000 1.033 301 S CA 1.239 59.300 58.200 -0.230 0.000 1.011 301 S CB -1.072 61.999 63.200 -0.214 0.000 0.852 301 S HN 0.342 nan 8.310 nan 0.000 0.457 302 V N 2.499 122.323 119.914 -0.149 0.000 2.358 302 V HA -0.091 4.028 4.120 -0.000 0.000 0.246 302 V C 2.474 178.515 176.094 -0.089 0.000 1.047 302 V CA 1.563 63.788 62.300 -0.126 0.000 1.035 302 V CB -1.023 30.711 31.823 -0.149 0.000 0.658 302 V HN 0.426 nan 8.190 nan 0.000 0.452 303 L N -1.139 120.053 121.223 -0.051 0.000 2.093 303 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 303 L C 2.559 179.474 176.870 0.074 0.000 1.085 303 L CA 1.498 56.376 54.840 0.063 0.000 0.755 303 L CB -0.514 41.681 42.059 0.227 0.000 0.904 303 L HN 0.291 nan 8.230 nan 0.000 0.435 304 M N -0.381 119.214 119.600 -0.009 0.000 2.117 304 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 304 M C 2.574 178.876 176.300 0.004 0.000 1.065 304 M CA 1.811 57.121 55.300 0.018 0.000 1.114 304 M CB -0.489 32.068 32.600 -0.073 0.000 1.361 304 M HN 0.332 nan 8.290 nan 0.000 0.408 305 A N 0.229 123.030 122.820 -0.032 0.000 1.933 305 A HA -0.157 4.162 4.320 -0.000 0.000 0.218 305 A C 2.033 179.610 177.584 -0.011 0.000 1.175 305 A CA 1.563 53.588 52.037 -0.020 0.000 0.628 305 A CB -0.642 18.345 19.000 -0.022 0.000 0.814 305 A HN 0.494 nan 8.150 nan 0.000 0.444 306 M N -1.587 118.005 119.600 -0.013 0.000 2.630 306 M HA 0.107 4.586 4.480 -0.000 0.000 0.254 306 M C 1.390 177.699 176.300 0.014 0.000 1.092 306 M CA 1.006 56.302 55.300 -0.006 0.000 1.087 306 M CB 0.152 32.746 32.600 -0.010 0.000 1.453 306 M HN 0.661 nan 8.290 nan 0.000 0.509 307 G N 0.937 109.755 108.800 0.030 0.000 2.192 307 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.193 307 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.193 307 G C 0.041 174.972 174.900 0.052 0.000 0.999 307 G CA -0.698 44.421 45.100 0.032 0.000 0.659 307 G HN 0.398 nan 8.290 nan 0.000 0.503 308 I N 2.849 123.475 120.570 0.094 0.000 2.347 308 I HA 0.375 4.545 4.170 -0.000 0.000 0.283 308 I C 1.446 177.705 176.117 0.237 0.000 1.058 308 I CA 0.297 61.669 61.300 0.121 0.000 1.202 308 I CB 1.351 39.433 38.000 0.137 0.000 1.386 308 I HN 0.242 nan 8.210 nan 0.000 0.475 309 T N -1.208 113.438 114.554 0.155 0.000 3.019 309 T HA 0.060 4.410 4.350 -0.000 0.000 0.247 309 T C 1.191 175.972 174.700 0.134 0.000 0.992 309 T CA 0.054 62.276 62.100 0.203 0.000 1.036 309 T CB 0.105 69.037 68.868 0.107 0.000 1.063 309 T HN 0.240 nan 8.240 nan 0.000 0.476 310 D N 2.367 122.786 120.400 0.031 0.000 2.178 310 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 310 D C 2.357 178.608 176.300 -0.081 0.000 0.980 310 D CA 1.468 55.460 54.000 -0.013 0.000 0.842 310 D CB -0.313 40.471 40.800 -0.027 0.000 0.948 310 D HN 0.498 nan 8.370 nan 0.000 0.472 311 V N -1.723 118.057 119.914 -0.222 0.000 2.759 311 V HA -0.119 4.001 4.120 -0.000 0.000 0.256 311 V C 1.577 177.440 176.094 -0.385 0.000 1.080 311 V CA 1.147 63.218 62.300 -0.382 0.000 1.101 311 V CB -1.014 30.437 31.823 -0.620 0.000 0.698 311 V HN -0.041 nan 8.190 nan 0.000 0.477 312 F N 1.834 121.776 119.950 -0.012 0.000 2.727 312 F HA 0.410 4.937 4.527 -0.000 0.000 0.302 312 F C 1.286 177.077 175.800 -0.016 0.000 1.097 312 F CA 0.280 58.272 58.000 -0.013 0.000 1.330 312 F CB -0.161 38.833 39.000 -0.010 0.000 1.084 312 F HN 0.360 nan 8.300 nan 0.000 0.578 313 S N -2.084 113.671 115.700 0.093 0.000 2.709 313 S HA 0.355 4.825 4.470 -0.000 0.000 0.302 313 S C 1.085 175.697 174.600 0.020 0.000 1.127 313 S CA -0.308 57.930 58.200 0.063 0.000 0.905 313 S CB 1.382 64.615 63.200 0.054 0.000 1.151 313 S HN -0.067 nan 8.310 nan 0.000 0.510 314 S N 1.384 117.095 115.700 0.019 0.000 2.420 314 S HA -0.120 4.349 4.470 -0.000 0.000 0.237 314 S C 1.807 176.404 174.600 -0.005 0.000 1.023 314 S CA 1.540 59.744 58.200 0.007 0.000 0.991 314 S CB -0.728 62.478 63.200 0.011 0.000 0.792 314 S HN 1.005 nan 8.310 nan 0.000 0.488 315 S N 1.300 116.998 115.700 -0.004 0.000 2.593 315 S HA 0.474 4.944 4.470 -0.000 0.000 0.217 315 S C 0.721 175.303 174.600 -0.031 0.000 0.966 315 S CA 0.014 58.206 58.200 -0.014 0.000 0.914 315 S CB -0.395 62.801 63.200 -0.006 0.000 0.776 315 S HN 0.494 nan 8.310 nan 0.000 0.523 316 A N 2.165 124.960 122.820 -0.042 0.000 2.584 316 A HA 0.121 4.440 4.320 -0.000 0.000 0.239 316 A C 0.352 177.888 177.584 -0.079 0.000 1.043 316 A CA 0.114 52.106 52.037 -0.075 0.000 0.756 316 A CB -0.542 18.400 19.000 -0.096 0.000 0.963 316 A HN 0.707 nan 8.150 nan 0.000 0.511 317 N N 2.463 121.113 118.700 -0.084 0.000 2.817 317 N HA 0.445 5.185 4.740 -0.000 0.000 0.234 317 N C -0.443 174.998 175.510 -0.116 0.000 1.066 317 N CA -0.406 52.592 53.050 -0.088 0.000 0.926 317 N CB 0.063 38.509 38.487 -0.068 0.000 1.176 317 N HN 0.626 nan 8.380 nan 0.000 0.506 318 L N 2.221 123.358 121.223 -0.143 0.000 3.073 318 L HA 0.248 4.587 4.340 -0.000 0.000 0.242 318 L C 1.219 177.970 176.870 -0.198 0.000 1.317 318 L CA -0.151 54.576 54.840 -0.188 0.000 1.081 318 L CB 0.455 42.379 42.059 -0.225 0.000 1.456 318 L HN 0.457 nan 8.230 nan 0.000 0.525 319 S N 0.455 116.066 115.700 -0.148 0.000 2.474 319 S HA -0.080 4.390 4.470 -0.000 0.000 0.235 319 S C 1.978 176.501 174.600 -0.128 0.000 0.997 319 S CA 1.185 59.312 58.200 -0.123 0.000 0.949 319 S CB 0.037 63.186 63.200 -0.085 0.000 0.766 319 S HN 0.694 nan 8.310 nan 0.000 0.517 320 G N 0.456 109.166 108.800 -0.150 0.000 2.920 320 G HA2 0.152 4.111 3.960 -0.000 0.000 0.208 320 G HA3 0.152 4.111 3.960 -0.000 0.000 0.208 320 G C 1.064 175.831 174.900 -0.221 0.000 1.159 320 G CA 0.026 45.052 45.100 -0.124 0.000 0.784 320 G HN 0.483 nan 8.290 nan 0.000 0.535 321 I N -0.859 119.480 120.570 -0.385 0.000 2.685 321 I HA 0.206 4.376 4.170 -0.000 0.000 0.251 321 I C 1.004 176.949 176.117 -0.287 0.000 1.102 321 I CA 0.382 61.319 61.300 -0.604 0.000 1.442 321 I CB 0.493 38.006 38.000 -0.810 0.000 1.194 321 I HN 0.127 nan 8.210 nan 0.000 0.448 322 S N -0.692 114.875 115.700 -0.222 0.000 2.550 322 S HA 0.244 4.714 4.470 -0.000 0.000 0.270 322 S C 0.539 175.078 174.600 -0.101 0.000 1.145 322 S CA -0.211 57.911 58.200 -0.130 0.000 0.852 322 S CB 1.565 64.684 63.200 -0.135 0.000 1.119 322 S HN 0.230 nan 8.310 nan 0.000 0.465 323 S N 2.150 117.824 115.700 -0.044 0.000 2.562 323 S HA 0.325 4.795 4.470 -0.000 0.000 0.221 323 S C 0.850 175.441 174.600 -0.015 0.000 0.975 323 S CA 0.293 58.475 58.200 -0.030 0.000 0.918 323 S CB -0.404 62.790 63.200 -0.009 0.000 0.772 323 S HN 1.156 nan 8.310 nan 0.000 0.531 324 A N 1.355 124.177 122.820 0.002 0.000 2.524 324 A HA 0.533 4.853 4.320 -0.000 0.000 0.250 324 A C 1.385 178.972 177.584 0.004 0.000 1.078 324 A CA 0.364 52.439 52.037 0.064 0.000 0.761 324 A CB -0.320 18.822 19.000 0.237 0.000 1.012 324 A HN 0.650 nan 8.150 nan 0.000 0.500 325 E N 1.677 121.904 120.200 0.045 0.000 2.150 325 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 325 E C 1.748 178.356 176.600 0.014 0.000 0.985 325 E CA 1.799 58.210 56.400 0.018 0.000 0.814 325 E CB -0.662 29.056 29.700 0.030 0.000 0.752 325 E HN 1.306 nan 8.360 nan 0.000 0.466 326 S N -0.661 115.083 115.700 0.074 0.000 2.605 326 S HA 0.341 4.811 4.470 -0.000 0.000 0.217 326 S C 0.589 175.182 174.600 -0.012 0.000 0.958 326 S CA -0.294 57.956 58.200 0.082 0.000 0.919 326 S CB -0.369 62.941 63.200 0.183 0.000 0.780 326 S HN 0.345 nan 8.310 nan 0.000 0.507 327 L N 3.508 124.618 121.223 -0.188 0.000 2.410 327 L HA 0.430 4.770 4.340 -0.000 0.000 0.273 327 L C -0.129 176.621 176.870 -0.200 0.000 1.144 327 L CA 0.485 55.083 54.840 -0.404 0.000 0.863 327 L CB 0.230 41.940 42.059 -0.582 0.000 1.140 327 L HN 0.464 nan 8.230 nan 0.000 0.463 328 K N 3.971 124.282 120.400 -0.147 0.000 2.578 328 K HA 0.518 4.837 4.320 -0.000 0.000 0.287 328 K C -1.323 175.243 176.600 -0.056 0.000 1.010 328 K CA -0.941 55.289 56.287 -0.095 0.000 0.889 328 K CB 0.910 33.387 32.500 -0.038 0.000 1.514 328 K HN 0.399 nan 8.250 nan 0.000 0.424 329 I N 2.375 122.917 120.570 -0.046 0.000 2.352 329 I HA 0.061 4.231 4.170 -0.000 0.000 0.290 329 I C 0.599 176.812 176.117 0.161 0.000 1.036 329 I CA -0.322 61.007 61.300 0.048 0.000 1.336 329 I CB 1.565 39.578 38.000 0.022 0.000 1.407 329 I HN 0.732 nan 8.210 nan 0.000 0.497 330 S N 4.442 120.197 115.700 0.092 0.000 2.439 330 S HA 0.100 4.569 4.470 -0.000 0.000 0.224 330 S C 0.490 175.121 174.600 0.053 0.000 1.029 330 S CA 0.462 58.692 58.200 0.050 0.000 0.946 330 S CB 0.145 63.306 63.200 -0.066 0.000 0.797 330 S HN 0.597 nan 8.310 nan 0.000 0.504 331 Q N -0.813 119.030 119.800 0.072 0.000 2.377 331 Q HA 0.707 5.046 4.340 -0.000 0.000 0.279 331 Q C -1.613 174.467 176.000 0.133 0.000 1.049 331 Q CA -0.487 55.353 55.803 0.062 0.000 0.825 331 Q CB 2.275 31.023 28.738 0.017 0.000 1.401 331 Q HN 0.175 nan 8.270 nan 0.000 0.404 332 A N 1.163 124.058 122.820 0.125 0.000 2.466 332 A HA 0.688 5.007 4.320 -0.000 0.000 0.284 332 A C -1.313 176.366 177.584 0.157 0.000 1.049 332 A CA -0.442 51.706 52.037 0.186 0.000 0.760 332 A CB 1.205 20.372 19.000 0.279 0.000 1.274 332 A HN 0.271 nan 8.150 nan 0.000 0.412 333 V N 2.859 122.885 119.914 0.186 0.000 2.531 333 V HA 0.479 4.598 4.120 -0.000 0.000 0.301 333 V C -0.635 175.614 176.094 0.258 0.000 1.034 333 V CA -0.478 61.933 62.300 0.185 0.000 0.865 333 V CB 1.759 33.666 31.823 0.140 0.000 0.995 333 V HN 1.013 nan 8.190 nan 0.000 0.424 334 H N 3.262 122.438 119.070 0.177 0.000 2.466 334 H HA 0.840 5.396 4.556 -0.000 0.000 0.338 334 H C -0.356 175.086 175.328 0.190 0.000 1.091 334 H CA 0.149 56.320 56.048 0.204 0.000 1.207 334 H CB 1.707 31.613 29.762 0.240 0.000 1.466 334 H HN 0.929 nan 8.280 nan 0.000 0.493 335 A N 3.514 126.155 122.820 -0.299 0.000 2.414 335 A HA 0.853 5.173 4.320 -0.000 0.000 0.306 335 A C -1.361 176.069 177.584 -0.257 0.000 1.054 335 A CA -0.204 51.696 52.037 -0.229 0.000 0.724 335 A CB 1.178 20.155 19.000 -0.038 0.000 1.267 335 A HN 0.980 nan 8.150 nan 0.000 0.418 336 A N 1.288 124.100 122.820 -0.014 0.000 2.408 336 A HA 0.711 5.031 4.320 -0.000 0.000 0.295 336 A C -1.150 176.723 177.584 0.482 0.000 1.040 336 A CA -0.308 51.870 52.037 0.234 0.000 0.707 336 A CB 0.856 19.958 19.000 0.169 0.000 1.235 336 A HN 1.323 nan 8.150 nan 0.000 0.418 337 H N 1.082 120.379 119.070 0.379 0.000 2.667 337 H HA 0.763 5.319 4.556 -0.001 0.000 0.353 337 H C -0.614 174.819 175.328 0.176 0.000 1.072 337 H CA 0.185 56.371 56.048 0.230 0.000 1.214 337 H CB 1.607 31.422 29.762 0.088 0.000 1.600 337 H HN 1.104 nan 8.280 nan 0.000 0.527 338 A N 4.348 127.002 122.820 -0.276 0.000 2.517 338 A HA 0.412 4.732 4.320 -0.000 0.000 0.297 338 A C -1.231 176.066 177.584 -0.477 0.000 1.050 338 A CA -0.807 51.074 52.037 -0.260 0.000 0.694 338 A CB 1.648 20.506 19.000 -0.237 0.000 1.277 338 A HN 0.791 nan 8.150 nan 0.000 0.400 339 E N 1.081 121.098 120.200 -0.305 0.000 2.158 339 E HA 0.544 4.894 4.350 -0.000 0.000 0.271 339 E C -1.392 175.071 176.600 -0.228 0.000 0.911 339 E CA -0.453 55.788 56.400 -0.263 0.000 0.767 339 E CB 1.938 31.555 29.700 -0.138 0.000 1.120 339 E HN 0.517 nan 8.360 nan 0.000 0.405 340 I N 4.108 124.559 120.570 -0.199 0.000 2.362 340 I HA 0.243 4.412 4.170 -0.000 0.000 0.289 340 I C 0.213 176.303 176.117 -0.044 0.000 0.994 340 I CA -0.049 61.185 61.300 -0.110 0.000 1.158 340 I CB 0.892 38.858 38.000 -0.057 0.000 1.315 340 I HN 0.541 nan 8.210 nan 0.000 0.451 341 N N 2.980 121.688 118.700 0.014 0.000 3.513 341 N HA 0.380 5.119 4.740 -0.000 0.000 0.351 341 N C -0.006 175.639 175.510 0.225 0.000 1.624 341 N CA -0.673 52.406 53.050 0.049 0.000 0.712 341 N CB 0.848 39.331 38.487 -0.005 0.000 2.106 341 N HN 0.234 nan 8.380 nan 0.000 0.649 342 E N 0.274 120.591 120.200 0.195 0.000 2.274 342 E HA 0.150 4.500 4.350 -0.000 0.000 0.194 342 E C 0.245 177.112 176.600 0.445 0.000 0.996 342 E CA 0.337 56.957 56.400 0.365 0.000 0.840 342 E CB -0.230 29.608 29.700 0.229 0.000 0.772 342 E HN 0.567 nan 8.360 nan 0.000 0.491 343 A N 1.005 123.976 122.820 0.253 0.000 2.546 343 A HA 0.469 4.788 4.320 -0.000 0.000 0.243 343 A C 0.695 178.429 177.584 0.251 0.000 1.063 343 A CA 0.971 53.113 52.037 0.174 0.000 0.757 343 A CB -0.030 19.000 19.000 0.051 0.000 0.991 343 A HN 0.229 nan 8.150 nan 0.000 0.503 344 G N 0.701 109.631 108.800 0.218 0.000 2.663 344 G HA2 0.456 4.416 3.960 -0.000 0.000 0.299 344 G HA3 0.456 4.416 3.960 -0.000 0.000 0.299 344 G C 0.366 175.350 174.900 0.140 0.000 1.372 344 G CA -0.224 45.017 45.100 0.235 0.000 0.781 344 G HN 0.678 nan 8.290 nan 0.000 0.491 345 R N -0.696 119.883 120.500 0.131 0.000 2.127 345 R HA 0.236 4.575 4.340 -0.000 0.000 0.217 345 R C 0.008 176.340 176.300 0.054 0.000 1.074 345 R CA 1.071 57.223 56.100 0.087 0.000 0.991 345 R CB 0.117 30.472 30.300 0.092 0.000 0.895 345 R HN 0.575 nan 8.270 nan 0.000 0.450 346 E N -0.844 119.381 120.200 0.041 0.000 2.363 346 E HA 0.229 4.578 4.350 -0.000 0.000 0.281 346 E C -1.579 175.011 176.600 -0.017 0.000 0.953 346 E CA -0.648 55.757 56.400 0.008 0.000 0.778 346 E CB 2.822 32.519 29.700 -0.007 0.000 1.220 346 E HN -0.150 nan 8.360 nan 0.000 0.431 364 F N 2.383 122.395 119.950 0.102 0.000 2.445 364 F HA 0.494 5.021 4.527 -0.000 0.000 0.348 364 F C -0.681 175.174 175.800 0.092 0.000 1.125 364 F CA -0.694 57.326 58.000 0.034 0.000 0.983 364 F CB 1.385 40.361 39.000 -0.041 0.000 1.198 364 F HN 0.537 nan 8.300 nan 0.000 0.436 365 R N 5.341 125.717 120.500 -0.206 0.000 2.332 365 R HA 0.618 4.958 4.340 -0.000 0.000 0.306 365 R C -0.897 175.246 176.300 -0.263 0.000 1.117 365 R CA -0.419 55.623 56.100 -0.097 0.000 1.108 365 R CB 0.708 30.888 30.300 -0.200 0.000 1.126 365 R HN 0.735 nan 8.270 nan 0.000 0.548 366 A N 4.237 126.941 122.820 -0.194 0.000 3.037 366 A HA 0.064 4.384 4.320 -0.000 0.000 0.272 366 A C 0.049 177.600 177.584 -0.056 0.000 1.723 366 A CA -0.383 51.473 52.037 -0.302 0.000 1.413 366 A CB -0.277 18.457 19.000 -0.443 0.000 1.112 366 A HN 0.814 nan 8.150 nan 0.000 0.606 367 D N 0.027 120.326 120.400 -0.167 0.000 2.538 367 D HA 0.161 4.801 4.640 -0.000 0.000 0.231 367 D C 0.009 175.895 176.300 -0.690 0.000 1.229 367 D CA -0.051 53.819 54.000 -0.216 0.000 0.828 367 D CB -0.600 40.141 40.800 -0.099 0.000 1.035 367 D HN 0.739 nan 8.370 nan 0.000 0.495 368 H N -3.940 114.689 119.070 -0.736 0.000 2.942 368 H HA 0.694 5.250 4.556 -0.000 0.000 0.316 368 H C -3.141 172.076 175.328 -0.186 0.000 1.323 368 H CA -2.205 53.365 56.048 -0.797 0.000 1.144 368 H CB 0.146 29.688 29.762 -0.366 0.000 1.866 368 H HN -0.324 nan 8.280 nan 0.000 0.545 369 P HA 0.142 nan 4.420 nan 0.000 0.271 369 P C -1.260 176.172 177.300 0.221 0.000 1.216 369 P CA 0.159 63.398 63.100 0.231 0.000 0.776 369 P CB 0.275 32.090 31.700 0.192 0.000 0.881 370 F N 0.738 120.798 119.950 0.184 0.000 2.685 370 F HA 0.652 5.179 4.527 -0.001 0.000 0.315 370 F C -1.718 174.198 175.800 0.192 0.000 1.126 370 F CA -1.448 56.632 58.000 0.133 0.000 0.950 370 F CB 0.761 39.816 39.000 0.091 0.000 1.360 370 F HN -0.053 nan 8.300 nan 0.000 0.469 371 L N 1.933 123.384 121.223 0.381 0.000 2.344 371 L HA 0.719 5.059 4.340 -0.000 0.000 0.272 371 L C -0.971 176.106 176.870 0.345 0.000 1.035 371 L CA -0.941 53.989 54.840 0.150 0.000 0.807 371 L CB 1.807 43.880 42.059 0.023 0.000 1.237 371 L HN 0.799 nan 8.230 nan 0.000 0.442 372 F N 0.277 120.145 119.950 -0.136 0.000 2.631 372 F HA 0.671 5.198 4.527 -0.000 0.000 0.308 372 F C -1.052 174.631 175.800 -0.194 0.000 1.097 372 F CA -1.363 56.640 58.000 0.005 0.000 0.952 372 F CB 1.121 40.264 39.000 0.238 0.000 1.307 372 F HN 0.436 nan 8.300 nan 0.000 0.450 373 C N 4.221 123.580 119.300 0.099 0.000 2.482 373 C HA 0.807 5.266 4.460 -0.000 0.000 0.317 373 C C -0.630 174.543 174.990 0.305 0.000 1.197 373 C CA -0.727 58.363 59.018 0.121 0.000 1.432 373 C CB 0.404 28.301 27.740 0.261 0.000 2.062 373 C HN 0.807 nan 8.230 nan 0.000 0.471 374 I N 6.147 126.916 120.570 0.332 0.000 2.312 374 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 374 I C -0.041 176.223 176.117 0.246 0.000 1.008 374 I CA -0.076 61.438 61.300 0.356 0.000 1.226 374 I CB 0.979 39.208 38.000 0.381 0.000 1.371 374 I HN 0.710 nan 8.210 nan 0.000 0.468 375 K N 5.259 125.801 120.400 0.236 0.000 2.281 375 K HA 0.450 4.769 4.320 -0.000 0.000 0.242 375 K C -0.569 176.145 176.600 0.190 0.000 0.971 375 K CA -0.806 55.593 56.287 0.187 0.000 0.834 375 K CB 1.790 34.400 32.500 0.182 0.000 1.181 375 K HN 0.471 nan 8.250 nan 0.000 0.435 376 H N 3.015 122.121 119.070 0.059 0.000 2.668 376 H HA 0.183 4.739 4.556 -0.000 0.000 0.303 376 H C 0.329 175.698 175.328 0.069 0.000 1.074 376 H CA -0.149 55.923 56.048 0.040 0.000 1.406 376 H CB 0.807 30.565 29.762 -0.006 0.000 1.442 376 H HN 0.720 nan 8.280 nan 0.000 0.482 377 I N 3.998 124.446 120.570 -0.204 0.000 2.333 377 I HA -0.182 3.988 4.170 -0.000 0.000 0.246 377 I C 2.472 178.550 176.117 -0.065 0.000 1.106 377 I CA 1.087 62.350 61.300 -0.061 0.000 1.411 377 I CB -0.134 37.843 38.000 -0.038 0.000 1.082 377 I HN 0.663 nan 8.210 nan 0.000 0.420 378 A N 0.273 122.970 122.820 -0.204 0.000 2.015 378 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 378 A C 2.210 179.841 177.584 0.077 0.000 1.163 378 A CA 2.189 54.195 52.037 -0.052 0.000 0.646 378 A CB -0.775 18.183 19.000 -0.069 0.000 0.806 378 A HN 0.516 nan 8.150 nan 0.000 0.448 379 T N -5.500 109.170 114.554 0.194 0.000 2.985 379 T HA 0.189 4.538 4.350 -0.000 0.000 0.254 379 T C 0.541 175.328 174.700 0.145 0.000 1.021 379 T CA 0.574 62.783 62.100 0.181 0.000 0.957 379 T CB -0.351 68.643 68.868 0.210 0.000 1.047 379 T HN 0.488 nan 8.240 nan 0.000 0.511 380 N N 1.012 119.802 118.700 0.150 0.000 2.753 380 N HA -0.143 4.596 4.740 -0.000 0.000 0.251 380 N C 0.175 175.768 175.510 0.138 0.000 1.097 380 N CA 0.464 53.601 53.050 0.144 0.000 0.786 380 N CB -1.614 36.961 38.487 0.146 0.000 1.137 380 N HN 0.864 nan 8.380 nan 0.000 0.566 381 A N 0.326 123.225 122.820 0.132 0.000 2.498 381 A HA 0.390 4.710 4.320 -0.000 0.000 0.239 381 A C 0.650 178.270 177.584 0.060 0.000 1.068 381 A CA 0.137 52.209 52.037 0.058 0.000 0.766 381 A CB 0.575 19.569 19.000 -0.009 0.000 1.003 381 A HN 0.395 nan 8.150 nan 0.000 0.497 382 V N 4.697 124.620 119.914 0.014 0.000 2.455 382 V HA 0.255 4.375 4.120 -0.000 0.000 0.273 382 V C 0.543 176.585 176.094 -0.087 0.000 1.045 382 V CA -0.253 62.043 62.300 -0.007 0.000 0.976 382 V CB 0.546 32.356 31.823 -0.022 0.000 0.993 382 V HN 0.814 nan 8.190 nan 0.000 0.475 383 L N 6.991 128.164 121.223 -0.082 0.000 2.221 383 L HA 0.516 4.855 4.340 -0.000 0.000 0.202 383 L C 0.226 176.792 176.870 -0.506 0.000 1.074 383 L CA 1.286 55.963 54.840 -0.271 0.000 0.795 383 L CB -0.515 41.459 42.059 -0.143 0.000 0.960 383 L HN 0.635 nan 8.230 nan 0.000 0.458 384 F N -2.548 117.352 119.950 -0.084 0.000 2.613 384 F HA 0.485 5.012 4.527 -0.000 0.000 0.310 384 F C -0.755 174.912 175.800 -0.221 0.000 1.085 384 F CA -0.986 56.900 58.000 -0.190 0.000 0.945 384 F CB 2.038 41.002 39.000 -0.061 0.000 1.298 384 F HN -0.348 nan 8.300 nan 0.000 0.455 385 F N 0.688 120.352 119.950 -0.476 0.000 2.581 385 F HA 0.820 5.347 4.527 -0.000 0.000 0.311 385 F C -0.408 174.923 175.800 -0.783 0.000 1.113 385 F CA -0.545 57.029 58.000 -0.709 0.000 0.935 385 F CB 2.069 40.524 39.000 -0.909 0.000 1.232 385 F HN 0.610 nan 8.300 nan 0.000 0.445 386 G N 3.952 111.797 108.800 -1.590 0.000 2.550 386 G HA2 0.496 4.455 3.960 -0.000 0.000 0.293 386 G HA3 0.496 4.455 3.960 -0.000 0.000 0.293 386 G C -2.289 172.162 174.900 -0.749 0.000 1.402 386 G CA -1.086 43.476 45.100 -0.897 0.000 0.784 386 G HN 0.694 nan 8.290 nan 0.000 0.482 387 R N -0.567 119.871 120.500 -0.103 0.000 2.476 387 R HA 0.521 4.861 4.340 -0.000 0.000 0.305 387 R C -1.366 174.977 176.300 0.072 0.000 0.965 387 R CA -0.497 55.635 56.100 0.053 0.000 0.867 387 R CB 1.308 31.754 30.300 0.243 0.000 1.176 387 R HN 0.608 nan 8.270 nan 0.000 0.447 388 C N 5.670 124.873 119.300 -0.162 0.000 2.239 388 C HA 0.404 4.864 4.460 -0.000 0.000 0.325 388 C C 0.972 175.793 174.990 -0.281 0.000 1.231 388 C CA -0.389 58.394 59.018 -0.393 0.000 1.652 388 C CB 0.220 27.329 27.740 -1.053 0.000 2.284 388 C HN 0.796 nan 8.230 nan 0.000 0.499 389 V N 4.283 124.139 119.914 -0.098 0.000 3.523 389 V HA 0.271 4.390 4.120 -0.000 0.000 0.255 389 V C 0.941 177.059 176.094 0.039 0.000 1.226 389 V CA 0.804 63.153 62.300 0.082 0.000 1.092 389 V CB 0.697 32.576 31.823 0.094 0.000 0.817 389 V HN 0.862 nan 8.190 nan 0.000 0.458 390 S N 0.636 116.222 115.700 -0.189 0.000 2.461 390 S HA 0.458 4.928 4.470 -0.000 0.000 0.216 390 S C -2.584 171.798 174.600 -0.363 0.000 1.201 390 S CA -0.634 57.421 58.200 -0.241 0.000 1.171 390 S CB 1.805 64.954 63.200 -0.084 0.000 1.169 390 S HN 0.140 nan 8.310 nan 0.000 0.456 391 P HA 0.000 nan 4.420 nan 0.000 0.216 391 P CA 0.000 62.830 63.100 -0.451 0.000 0.800 391 P CB 0.000 31.400 31.700 -0.499 0.000 0.726