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 3euk_1_A DATA FIRST_RESID 33 DATA SEQUENCE IARGKFRSLT LINWNGFFAR TFDFDELVTT LSGGNGAGKS TTMAGFVTAL DATA SEQUENCE IPDLTLLNFR NTTEAGSTSS SRDKGLYGKL KAGVCYAVLE TVNSRAQRII DATA SEQUENCE TGVRLQXXXX XDKKVDIRPF SLQNVPMTDS VISLFTEQXX XXXRVLSLND DATA SEQUENCE LKEKFEETAV TFKPYHSITD YHSFMFDLGI LPKRLRSSSD RNKFYKLIEA DATA SEQUENCE SLYGGISSVI TKSLRDYLLP ENSGVRQAFQ DMEAXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX ISAESVANIL RKTIQREQNR DATA SEQUENCE ILQLNQGLQN IAFGQVKGVR LVVNIRDTHS ILLNALSDQH EQXXXXXXXX DATA SEQUENCE XXSFSEALAM LYKRINPHIE LXXRMPQTIG EELLDYRNYL DLEVETLRGA DATA SEQUENCE YGWMRAESSA LSTGEAIGTG MSILLMVVQS WEEESRRMRA KDILPCRLLF DATA SEQUENCE LDQAARLDAM SINTLFELCE RLDMQLLIAA PENISPERGT TYKLVRKILA DATA SEQUENCE NQEYVHVVGL 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 33 I HA 0.000 nan 4.170 nan 0.000 0.288 33 I C 0.000 176.113 176.117 -0.007 0.000 1.063 33 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 33 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 34 A N 5.927 128.741 122.820 -0.009 0.000 2.435 34 A HA 1.076 5.397 4.320 0.001 0.000 0.296 34 A C -0.769 176.810 177.584 -0.008 0.000 1.147 34 A CA -0.691 51.339 52.037 -0.012 0.000 0.775 34 A CB 2.363 21.352 19.000 -0.020 0.000 1.340 34 A HN 0.709 nan 8.150 nan 0.000 0.427 35 R N -0.053 120.442 120.500 -0.008 0.000 2.604 35 R HA 0.594 4.934 4.340 0.001 0.000 0.261 35 R C -0.830 175.469 176.300 -0.002 0.000 1.080 35 R CA -0.248 55.851 56.100 -0.002 0.000 0.917 35 R CB 1.035 31.338 30.300 0.005 0.000 1.252 35 R HN 1.382 nan 8.270 nan 0.000 0.456 36 G N 2.076 110.880 108.800 0.006 0.000 2.542 36 G HA2 0.651 4.612 3.960 0.001 0.000 0.311 36 G HA3 0.651 4.612 3.960 0.001 0.000 0.311 36 G C -1.317 173.614 174.900 0.052 0.000 1.298 36 G CA -0.640 44.464 45.100 0.006 0.000 0.973 36 G HN 0.513 nan 8.290 nan 0.000 0.487 37 K N -0.326 120.113 120.400 0.064 0.000 2.428 37 K HA 0.494 4.815 4.320 0.001 0.000 0.279 37 K C -1.571 175.142 176.600 0.188 0.000 1.041 37 K CA -0.816 55.581 56.287 0.183 0.000 0.887 37 K CB 1.598 34.177 32.500 0.132 0.000 1.535 37 K HN 0.318 nan 8.250 nan 0.000 0.417 38 F N 1.270 121.193 119.950 -0.045 0.000 2.421 38 F HA 0.423 4.950 4.527 0.001 0.000 0.337 38 F C 1.412 177.298 175.800 0.143 0.000 1.105 38 F CA -0.621 57.367 58.000 -0.021 0.000 1.049 38 F CB 1.122 39.928 39.000 -0.323 0.000 1.139 38 F HN 0.275 nan 8.300 nan 0.000 0.479 39 R N 0.539 121.253 120.500 0.356 0.000 2.257 39 R HA 0.229 4.569 4.340 0.001 0.000 0.195 39 R C -0.547 175.941 176.300 0.315 0.000 0.921 39 R CA 0.452 56.733 56.100 0.302 0.000 1.069 39 R CB 0.283 30.674 30.300 0.152 0.000 1.115 39 R HN 0.678 nan 8.270 nan 0.000 0.571 40 S N -0.276 115.642 115.700 0.363 0.000 2.579 40 S HA 0.313 4.784 4.470 0.001 0.000 0.290 40 S C -1.311 173.258 174.600 -0.053 0.000 1.123 40 S CA -1.018 57.173 58.200 -0.015 0.000 0.894 40 S CB 1.188 64.389 63.200 0.001 0.000 1.095 40 S HN 0.023 nan 8.310 nan 0.000 0.450 41 L N 1.948 122.899 121.223 -0.453 0.000 2.343 41 L HA 0.890 5.231 4.340 0.001 0.000 0.275 41 L C -0.525 176.303 176.870 -0.069 0.000 1.056 41 L CA 0.544 55.242 54.840 -0.236 0.000 0.804 41 L CB 1.795 43.562 42.059 -0.488 0.000 1.203 41 L HN 0.975 nan 8.230 nan 0.000 0.440 42 T N 5.127 119.662 114.554 -0.033 0.000 2.921 42 T HA 0.583 4.934 4.350 0.001 0.000 0.297 42 T C -0.699 173.959 174.700 -0.071 0.000 1.013 42 T CA -0.452 61.642 62.100 -0.010 0.000 0.990 42 T CB 1.149 70.033 68.868 0.027 0.000 1.023 42 T HN 0.438 nan 8.240 nan 0.000 0.447 43 L N 3.169 124.322 121.223 -0.115 0.000 2.330 43 L HA 0.728 5.069 4.340 0.001 0.000 0.271 43 L C -0.862 176.033 176.870 0.042 0.000 1.013 43 L CA -1.284 53.400 54.840 -0.261 0.000 0.816 43 L CB 1.567 43.276 42.059 -0.583 0.000 1.287 43 L HN 0.408 nan 8.230 nan 0.000 0.435 44 I N 2.478 123.239 120.570 0.320 0.000 2.586 44 I HA 0.225 4.396 4.170 0.001 0.000 0.288 44 I C 0.215 176.521 176.117 0.314 0.000 1.147 44 I CA -0.200 61.278 61.300 0.297 0.000 1.047 44 I CB 1.309 39.456 38.000 0.245 0.000 1.244 44 I HN 0.826 nan 8.210 nan 0.000 0.429 45 N N 4.035 122.789 118.700 0.091 0.000 2.961 45 N HA -0.239 4.501 4.740 0.001 0.000 0.223 45 N C -0.436 175.137 175.510 0.105 0.000 0.866 45 N CA 1.190 54.179 53.050 -0.101 0.000 1.030 45 N CB -0.891 37.460 38.487 -0.226 0.000 1.037 45 N HN 0.542 nan 8.380 nan 0.000 0.608 46 W N 1.558 122.871 121.300 0.022 0.000 2.456 46 W HA 0.026 4.686 4.660 0.001 0.000 0.343 46 W C 1.323 177.877 176.519 0.059 0.000 1.211 46 W CA 0.758 58.144 57.345 0.069 0.000 1.353 46 W CB -0.233 29.341 29.460 0.190 0.000 1.189 46 W HN 0.273 nan 8.180 nan 0.000 0.587 47 N N 1.487 120.312 118.700 0.207 0.000 2.417 47 N HA 0.198 4.939 4.740 0.001 0.000 0.272 47 N C 0.961 176.465 175.510 -0.010 0.000 1.304 47 N CA 1.672 54.772 53.050 0.084 0.000 0.906 47 N CB 0.182 38.696 38.487 0.045 0.000 1.135 47 N HN 0.715 nan 8.380 nan 0.000 0.483 48 G N 2.137 110.907 108.800 -0.051 0.000 2.195 48 G HA2 -0.215 3.746 3.960 0.001 0.000 0.246 48 G HA3 -0.215 3.746 3.960 0.001 0.000 0.246 48 G C -0.383 174.255 174.900 -0.437 0.000 0.984 48 G CA 0.103 45.024 45.100 -0.299 0.000 0.633 48 G HN 0.492 nan 8.290 nan 0.000 0.525 49 F N -0.683 119.413 119.950 0.244 0.000 2.671 49 F HA 0.632 5.159 4.527 0.001 0.000 0.332 49 F C 0.466 176.432 175.800 0.277 0.000 1.189 49 F CA -1.691 56.454 58.000 0.241 0.000 0.988 49 F CB 1.055 40.168 39.000 0.188 0.000 1.258 49 F HN -0.068 nan 8.300 nan 0.000 0.471 50 F N 2.331 122.487 119.950 0.344 0.000 2.293 50 F HA 0.532 5.060 4.527 0.001 0.000 0.297 50 F C 0.761 176.691 175.800 0.217 0.000 1.089 50 F CA 0.950 59.092 58.000 0.238 0.000 1.377 50 F CB 0.321 39.427 39.000 0.177 0.000 1.051 50 F HN 0.458 nan 8.300 nan 0.000 0.511 51 A N 0.439 123.502 122.820 0.405 0.000 2.483 51 A HA 0.569 4.890 4.320 0.001 0.000 0.315 51 A C -1.187 176.447 177.584 0.082 0.000 1.027 51 A CA -0.699 51.479 52.037 0.235 0.000 0.996 51 A CB 0.250 19.425 19.000 0.291 0.000 1.288 51 A HN 0.167 nan 8.150 nan 0.000 0.371 52 R N 0.602 121.056 120.500 -0.077 0.000 2.795 52 R HA 0.881 5.222 4.340 0.001 0.000 0.275 52 R C -1.147 174.930 176.300 -0.372 0.000 0.981 52 R CA -0.005 55.888 56.100 -0.345 0.000 0.917 52 R CB 1.976 31.845 30.300 -0.719 0.000 1.202 52 R HN 0.608 nan 8.270 nan 0.000 0.469 53 T N 3.949 118.202 114.554 -0.502 0.000 2.833 53 T HA 0.465 4.816 4.350 0.001 0.000 0.297 53 T C -1.212 173.210 174.700 -0.463 0.000 1.015 53 T CA -0.255 61.648 62.100 -0.329 0.000 0.963 53 T CB 0.129 68.891 68.868 -0.176 0.000 0.955 53 T HN 0.295 nan 8.240 nan 0.000 0.449 54 F N 2.396 122.221 119.950 -0.209 0.000 2.308 54 F HA 0.291 4.819 4.527 0.001 0.000 0.370 54 F C 0.626 176.288 175.800 -0.230 0.000 1.100 54 F CA -1.339 56.616 58.000 -0.076 0.000 1.108 54 F CB 0.600 39.477 39.000 -0.204 0.000 1.293 54 F HN 0.397 nan 8.300 nan 0.000 0.478 55 D N 4.145 124.629 120.400 0.139 0.000 2.342 55 D HA 0.013 4.654 4.640 0.001 0.000 0.260 55 D C 0.058 176.393 176.300 0.058 0.000 1.278 55 D CA 0.191 54.233 54.000 0.070 0.000 0.910 55 D CB 0.365 41.240 40.800 0.125 0.000 1.079 55 D HN 0.129 nan 8.370 nan 0.000 0.496 56 F N 1.988 122.003 119.950 0.108 0.000 2.608 56 F HA -0.066 4.462 4.527 0.001 0.000 0.380 56 F C 1.641 177.467 175.800 0.043 0.000 1.083 56 F CA 0.172 58.204 58.000 0.053 0.000 1.266 56 F CB 0.226 39.282 39.000 0.094 0.000 1.076 56 F HN 0.230 nan 8.300 nan 0.000 0.574 57 D N 2.141 122.676 120.400 0.224 0.000 2.361 57 D HA -0.062 4.579 4.640 0.001 0.000 0.239 57 D C 1.124 177.484 176.300 0.099 0.000 1.200 57 D CA -0.060 54.011 54.000 0.118 0.000 0.915 57 D CB 1.005 41.838 40.800 0.055 0.000 1.170 57 D HN 0.667 nan 8.370 nan 0.000 0.444 58 E N 1.019 121.259 120.200 0.068 0.000 2.072 58 E HA -0.095 4.255 4.350 0.001 0.000 0.191 58 E C 1.469 178.072 176.600 0.004 0.000 0.985 58 E CA 1.548 57.976 56.400 0.047 0.000 0.801 58 E CB 0.046 29.774 29.700 0.046 0.000 0.750 58 E HN 0.548 nan 8.360 nan 0.000 0.452 59 L N -1.599 119.609 121.223 -0.025 0.000 2.614 59 L HA 0.324 4.665 4.340 0.001 0.000 0.185 59 L C -0.222 176.527 176.870 -0.200 0.000 1.098 59 L CA -0.150 54.630 54.840 -0.099 0.000 0.852 59 L CB 0.850 42.860 42.059 -0.083 0.000 1.213 59 L HN -0.184 nan 8.230 nan 0.000 0.491 60 V N -0.000 119.787 119.914 -0.210 0.000 2.686 60 V HA 0.401 4.521 4.120 0.001 0.000 0.306 60 V C -0.745 175.290 176.094 -0.099 0.000 1.065 60 V CA -0.440 61.688 62.300 -0.288 0.000 0.894 60 V CB 1.992 33.362 31.823 -0.755 0.000 1.004 60 V HN 0.107 nan 8.190 nan 0.000 0.424 61 T N 3.115 117.634 114.554 -0.058 0.000 2.823 61 T HA 0.662 5.012 4.350 0.001 0.000 0.279 61 T C -0.244 174.452 174.700 -0.007 0.000 0.998 61 T CA -0.360 61.727 62.100 -0.022 0.000 0.994 61 T CB 1.585 70.494 68.868 0.069 0.000 0.960 61 T HN 0.732 nan 8.240 nan 0.000 0.448 62 T N 3.268 117.806 114.554 -0.027 0.000 2.893 62 T HA 0.628 4.978 4.350 0.001 0.000 0.293 62 T C -0.851 173.861 174.700 0.020 0.000 1.027 62 T CA -0.667 61.452 62.100 0.032 0.000 0.988 62 T CB 1.043 69.967 68.868 0.093 0.000 1.043 62 T HN 0.332 nan 8.240 nan 0.000 0.461 63 L N 2.200 123.461 121.223 0.062 0.000 2.356 63 L HA 0.708 5.049 4.340 0.001 0.000 0.277 63 L C -0.289 176.645 176.870 0.106 0.000 0.996 63 L CA -0.536 54.362 54.840 0.096 0.000 0.822 63 L CB 1.881 43.988 42.059 0.079 0.000 1.256 63 L HN 0.620 nan 8.230 nan 0.000 0.413 64 S N 0.966 116.740 115.700 0.124 0.000 2.595 64 S HA 0.968 5.439 4.470 0.001 0.000 0.281 64 S C -0.066 174.599 174.600 0.109 0.000 1.117 64 S CA -0.178 58.085 58.200 0.105 0.000 0.873 64 S CB 2.448 65.704 63.200 0.094 0.000 1.108 64 S HN 0.938 nan 8.310 nan 0.000 0.477 65 G N 0.312 109.166 108.800 0.090 0.000 2.512 65 G HA2 0.498 4.459 3.960 0.001 0.000 0.181 65 G HA3 0.498 4.459 3.960 0.001 0.000 0.181 65 G C -0.577 174.363 174.900 0.066 0.000 1.173 65 G CA -0.063 45.087 45.100 0.084 0.000 0.988 65 G HN 0.993 nan 8.290 nan 0.000 0.485 66 G N -0.475 108.362 108.800 0.061 0.000 2.410 66 G HA2 0.516 4.476 3.960 0.001 0.000 0.330 66 G HA3 0.516 4.476 3.960 0.001 0.000 0.330 66 G C -0.159 174.770 174.900 0.048 0.000 1.142 66 G CA -0.466 44.663 45.100 0.048 0.000 0.902 66 G HN 0.703 nan 8.290 nan 0.000 0.491 67 N N 0.061 118.786 118.700 0.041 0.000 2.292 67 N HA 0.229 4.970 4.740 0.001 0.000 0.258 67 N C 1.054 176.588 175.510 0.039 0.000 1.261 67 N CA 1.145 54.218 53.050 0.039 0.000 0.845 67 N CB 0.263 38.769 38.487 0.031 0.000 1.064 67 N HN 0.998 nan 8.380 nan 0.000 0.471 68 G N 1.578 110.404 108.800 0.043 0.000 2.342 68 G HA2 -0.094 3.867 3.960 0.001 0.000 0.267 68 G HA3 -0.094 3.867 3.960 0.001 0.000 0.267 68 G C 0.500 175.424 174.900 0.039 0.000 0.922 68 G CA 0.181 45.306 45.100 0.041 0.000 1.342 68 G HN 0.790 nan 8.290 nan 0.000 0.430 69 A N 0.577 123.431 122.820 0.057 0.000 2.340 69 A HA 0.741 5.062 4.320 0.001 0.000 0.213 69 A C 1.904 179.542 177.584 0.090 0.000 1.299 69 A CA 1.399 53.472 52.037 0.060 0.000 0.994 69 A CB 0.462 19.511 19.000 0.081 0.000 1.132 69 A HN 2.583 nan 8.150 nan 0.000 0.519 70 G N -0.142 108.732 108.800 0.123 0.000 2.174 70 G HA2 -0.127 3.834 3.960 0.001 0.000 0.140 70 G HA3 -0.127 3.834 3.960 0.001 0.000 0.140 70 G C 0.718 175.751 174.900 0.221 0.000 1.031 70 G CA 0.377 45.609 45.100 0.220 0.000 0.728 70 G HN 0.301 nan 8.290 nan 0.000 0.496 71 K N 0.652 121.132 120.400 0.135 0.000 1.968 71 K HA 0.077 4.398 4.320 0.001 0.000 0.215 71 K C 2.609 179.234 176.600 0.042 0.000 1.040 71 K CA 1.460 57.797 56.287 0.083 0.000 0.959 71 K CB -0.437 32.112 32.500 0.082 0.000 0.740 71 K HN 0.156 nan 8.250 nan 0.000 0.443 72 S N 0.887 116.622 115.700 0.058 0.000 2.368 72 S HA -0.223 4.248 4.470 0.001 0.000 0.226 72 S C 2.186 176.803 174.600 0.028 0.000 1.044 72 S CA 2.383 60.615 58.200 0.053 0.000 1.062 72 S CB -0.853 62.402 63.200 0.093 0.000 0.931 72 S HN 0.612 nan 8.310 nan 0.000 0.440 73 T N 0.007 114.592 114.554 0.052 0.000 2.721 73 T HA -0.206 4.145 4.350 0.001 0.000 0.268 73 T C 1.767 176.453 174.700 -0.023 0.000 1.038 73 T CA 2.091 64.230 62.100 0.065 0.000 1.145 73 T CB -1.327 67.641 68.868 0.167 0.000 0.858 73 T HN 0.367 nan 8.240 nan 0.000 0.459 74 T N 1.744 116.251 114.554 -0.078 0.000 2.788 74 T HA 0.095 4.446 4.350 0.001 0.000 0.268 74 T C 1.963 176.514 174.700 -0.249 0.000 1.044 74 T CA 1.554 63.460 62.100 -0.323 0.000 1.139 74 T CB -0.375 68.187 68.868 -0.510 0.000 0.867 74 T HN 0.443 nan 8.240 nan 0.000 0.454 75 M N 0.513 120.052 119.600 -0.102 0.000 2.388 75 M HA 0.150 4.630 4.480 0.001 0.000 0.265 75 M C 2.819 179.118 176.300 -0.002 0.000 1.088 75 M CA 0.707 55.988 55.300 -0.030 0.000 1.134 75 M CB -0.354 32.150 32.600 -0.160 0.000 1.384 75 M HN 0.258 nan 8.290 nan 0.000 0.447 76 A N 1.008 123.822 122.820 -0.009 0.000 1.917 76 A HA -0.133 4.188 4.320 0.001 0.000 0.219 76 A C 2.323 179.976 177.584 0.115 0.000 1.182 76 A CA 2.175 54.166 52.037 -0.078 0.000 0.633 76 A CB -1.522 17.196 19.000 -0.470 0.000 0.819 76 A HN 0.548 nan 8.150 nan 0.000 0.448 77 G N -2.253 106.621 108.800 0.123 0.000 2.448 77 G HA2 -0.110 3.851 3.960 0.001 0.000 0.218 77 G HA3 -0.110 3.851 3.960 0.001 0.000 0.218 77 G C 1.476 176.568 174.900 0.319 0.000 1.135 77 G CA 0.717 45.988 45.100 0.284 0.000 0.784 77 G HN 0.551 nan 8.290 nan 0.000 0.543 78 F N 0.866 120.855 119.950 0.064 0.000 2.171 78 F HA -0.118 4.409 4.527 0.001 0.000 0.300 78 F C 2.494 178.421 175.800 0.212 0.000 1.090 78 F CA 0.617 58.717 58.000 0.166 0.000 1.293 78 F CB 0.330 39.427 39.000 0.163 0.000 1.013 78 F HN 0.020 nan 8.300 nan 0.000 0.486 79 V N -0.505 119.582 119.914 0.289 0.000 2.548 79 V HA -0.236 3.885 4.120 0.001 0.000 0.249 79 V C 2.031 178.357 176.094 0.387 0.000 1.055 79 V CA 2.123 64.534 62.300 0.185 0.000 1.065 79 V CB -0.747 31.135 31.823 0.099 0.000 0.681 79 V HN 0.333 nan 8.190 nan 0.000 0.462 80 T N 0.192 115.027 114.554 0.468 0.000 3.055 80 T HA 0.079 4.429 4.350 0.001 0.000 0.265 80 T C 1.938 176.858 174.700 0.367 0.000 1.111 80 T CA 1.106 63.466 62.100 0.433 0.000 1.118 80 T CB -0.054 69.064 68.868 0.415 0.000 0.909 80 T HN 0.530 nan 8.240 nan 0.000 0.501 81 A N 1.011 124.073 122.820 0.403 0.000 1.903 81 A HA 0.234 4.555 4.320 0.001 0.000 0.213 81 A C 2.135 179.975 177.584 0.426 0.000 1.185 81 A CA 0.722 52.986 52.037 0.378 0.000 0.628 81 A CB -0.471 18.773 19.000 0.406 0.000 0.830 81 A HN 0.438 nan 8.150 nan 0.000 0.446 82 L N -1.177 120.333 121.223 0.478 0.000 2.209 82 L HA 0.105 4.446 4.340 0.001 0.000 0.207 82 L C -0.237 176.901 176.870 0.446 0.000 1.094 82 L CA 0.643 55.774 54.840 0.484 0.000 0.790 82 L CB 0.058 42.408 42.059 0.486 0.000 0.932 82 L HN 0.233 nan 8.230 nan 0.000 0.447 83 I N 0.356 121.178 120.570 0.418 0.000 2.782 83 I HA 0.176 4.347 4.170 0.001 0.000 0.279 83 I C -2.249 174.067 176.117 0.332 0.000 1.247 83 I CA -1.565 59.982 61.300 0.413 0.000 1.062 83 I CB 1.084 39.373 38.000 0.481 0.000 1.421 83 I HN -0.177 nan 8.210 nan 0.000 0.558 84 P HA 0.107 nan 4.420 nan 0.000 0.230 84 P C -0.582 176.792 177.300 0.123 0.000 1.791 84 P CA 0.207 63.401 63.100 0.158 0.000 1.020 84 P CB 0.315 32.037 31.700 0.038 0.000 1.977 85 D N 1.976 122.453 120.400 0.128 0.000 2.421 85 D HA 0.148 4.789 4.640 0.001 0.000 0.254 85 D C 1.425 177.738 176.300 0.023 0.000 1.238 85 D CA -0.507 53.531 54.000 0.064 0.000 0.919 85 D CB 1.192 42.027 40.800 0.058 0.000 1.152 85 D HN 0.019 nan 8.370 nan 0.000 0.552 86 L N 1.726 122.971 121.223 0.036 0.000 2.261 86 L HA -0.141 4.199 4.340 0.001 0.000 0.216 86 L C 1.984 178.851 176.870 -0.004 0.000 1.114 86 L CA 1.009 55.871 54.840 0.036 0.000 0.777 86 L CB -0.320 41.766 42.059 0.045 0.000 0.910 86 L HN 0.324 nan 8.230 nan 0.000 0.440 87 T N -0.489 114.048 114.554 -0.030 0.000 3.023 87 T HA -0.016 4.334 4.350 0.001 0.000 0.266 87 T C 1.722 176.346 174.700 -0.126 0.000 1.093 87 T CA 0.803 62.873 62.100 -0.050 0.000 1.129 87 T CB 0.113 68.961 68.868 -0.033 0.000 0.899 87 T HN 0.090 nan 8.240 nan 0.000 0.491 88 L N -0.178 120.907 121.223 -0.230 0.000 2.388 88 L HA 0.376 4.717 4.340 0.001 0.000 0.209 88 L C 0.573 176.935 176.870 -0.847 0.000 1.061 88 L CA 0.509 55.012 54.840 -0.562 0.000 0.834 88 L CB -0.399 41.254 42.059 -0.676 0.000 1.029 88 L HN 0.168 nan 8.230 nan 0.000 0.473 89 L N 2.247 123.219 121.223 -0.418 0.000 2.638 89 L HA 0.069 4.410 4.340 0.001 0.000 0.273 89 L C 0.105 177.015 176.870 0.067 0.000 1.147 89 L CA 0.325 55.137 54.840 -0.046 0.000 0.941 89 L CB -0.407 41.819 42.059 0.277 0.000 1.251 89 L HN 0.278 nan 8.230 nan 0.000 0.479 90 N N 4.319 123.039 118.700 0.035 0.000 2.653 90 N HA 0.144 4.885 4.740 0.001 0.000 0.261 90 N C -1.009 174.552 175.510 0.086 0.000 1.216 90 N CA -0.453 52.667 53.050 0.118 0.000 0.784 90 N CB 0.713 39.240 38.487 0.066 0.000 1.327 90 N HN 0.195 nan 8.380 nan 0.000 0.539 91 F N 2.823 122.889 119.950 0.194 0.000 2.640 91 F HA 0.370 4.898 4.527 0.001 0.000 0.354 91 F C 1.541 177.436 175.800 0.159 0.000 1.213 91 F CA -0.468 57.653 58.000 0.202 0.000 1.314 91 F CB -0.142 38.956 39.000 0.163 0.000 1.679 91 F HN 0.099 nan 8.300 nan 0.000 0.622 92 R N 0.384 121.031 120.500 0.245 0.000 3.073 92 R HA -0.007 4.334 4.340 0.001 0.000 0.290 92 R C 0.276 176.610 176.300 0.056 0.000 1.130 92 R CA -0.203 55.967 56.100 0.117 0.000 1.186 92 R CB 0.152 30.482 30.300 0.051 0.000 1.166 92 R HN 0.301 nan 8.270 nan 0.000 0.563 93 N N -0.881 117.799 118.700 -0.033 0.000 2.405 93 N HA 0.055 4.796 4.740 0.001 0.000 0.299 93 N C 0.554 175.940 175.510 -0.206 0.000 1.075 93 N CA -0.034 52.972 53.050 -0.072 0.000 0.884 93 N CB 1.319 39.793 38.487 -0.022 0.000 1.194 93 N HN 0.585 nan 8.380 nan 0.000 0.491 94 T N -0.217 114.197 114.554 -0.234 0.000 2.572 94 T HA -0.388 3.963 4.350 0.001 0.000 0.258 94 T C 1.798 176.373 174.700 -0.209 0.000 1.154 94 T CA 2.836 64.768 62.100 -0.281 0.000 1.157 94 T CB -1.940 66.851 68.868 -0.128 0.000 0.856 94 T HN 0.752 nan 8.240 nan 0.000 0.443 95 T N 0.646 115.129 114.554 -0.118 0.000 2.755 95 T HA -0.210 4.141 4.350 0.001 0.000 0.266 95 T C 0.769 175.413 174.700 -0.093 0.000 1.041 95 T CA 1.685 63.736 62.100 -0.082 0.000 1.147 95 T CB -0.821 68.016 68.868 -0.051 0.000 0.847 95 T HN 0.758 nan 8.240 nan 0.000 0.478 96 E N 0.834 120.959 120.200 -0.126 0.000 2.070 96 E HA 0.606 4.957 4.350 0.001 0.000 0.261 96 E C 0.873 177.369 176.600 -0.174 0.000 0.926 96 E CA -0.198 56.137 56.400 -0.109 0.000 0.760 96 E CB 1.345 31.000 29.700 -0.075 0.000 1.133 96 E HN 0.423 nan 8.360 nan 0.000 0.420 97 A N 2.980 125.722 122.820 -0.130 0.000 1.843 97 A HA 0.118 4.438 4.320 0.001 0.000 0.213 97 A C 1.514 179.088 177.584 -0.016 0.000 1.239 97 A CA 0.893 52.859 52.037 -0.117 0.000 0.606 97 A CB -0.175 18.788 19.000 -0.061 0.000 0.903 97 A HN 0.541 nan 8.150 nan 0.000 0.455 98 G N 0.572 109.371 108.800 -0.002 0.000 3.964 98 G HA2 0.458 4.419 3.960 0.001 0.000 0.289 98 G HA3 0.458 4.419 3.960 0.001 0.000 0.289 98 G C -0.536 174.373 174.900 0.015 0.000 1.176 98 G CA -0.051 45.062 45.100 0.022 0.000 1.553 98 G HN 0.206 nan 8.290 nan 0.000 0.588 99 S N 0.443 116.154 115.700 0.019 0.000 2.410 99 S HA 0.254 4.725 4.470 0.001 0.000 0.304 99 S C 1.155 175.772 174.600 0.029 0.000 1.095 99 S CA -0.435 57.774 58.200 0.016 0.000 1.089 99 S CB 1.372 64.576 63.200 0.007 0.000 0.968 99 S HN 0.355 nan 8.310 nan 0.000 0.480 100 T N 1.726 116.293 114.554 0.022 0.000 3.169 100 T HA 0.039 4.390 4.350 0.001 0.000 0.250 100 T C 0.614 175.327 174.700 0.021 0.000 1.111 100 T CA 0.070 62.184 62.100 0.024 0.000 1.010 100 T CB -0.006 68.874 68.868 0.019 0.000 0.984 100 T HN 0.439 nan 8.240 nan 0.000 0.537 101 S N 2.285 117.997 115.700 0.019 0.000 3.919 101 S HA 0.136 4.607 4.470 0.001 0.000 0.245 101 S C 0.993 175.606 174.600 0.022 0.000 1.344 101 S CA -0.400 57.810 58.200 0.017 0.000 0.896 101 S CB -0.066 63.142 63.200 0.013 0.000 1.557 101 S HN 0.230 nan 8.310 nan 0.000 0.468 102 S N 1.421 117.134 115.700 0.022 0.000 2.840 102 S HA 0.045 4.516 4.470 0.001 0.000 0.235 102 S C 1.808 176.420 174.600 0.020 0.000 0.968 102 S CA -0.191 58.024 58.200 0.024 0.000 1.026 102 S CB -0.029 63.183 63.200 0.020 0.000 0.788 102 S HN 0.652 nan 8.310 nan 0.000 0.487 103 S N 1.559 117.269 115.700 0.017 0.000 2.377 103 S HA 0.105 4.575 4.470 0.001 0.000 0.223 103 S C 1.210 175.818 174.600 0.012 0.000 1.030 103 S CA 0.367 58.574 58.200 0.012 0.000 0.970 103 S CB 0.124 63.329 63.200 0.008 0.000 0.830 103 S HN 0.475 nan 8.310 nan 0.000 0.473 104 R N 1.279 121.789 120.500 0.016 0.000 3.064 104 R HA 0.172 4.512 4.340 0.001 0.000 0.280 104 R C -0.128 176.186 176.300 0.023 0.000 1.182 104 R CA 0.363 56.473 56.100 0.016 0.000 1.155 104 R CB -0.082 30.231 30.300 0.021 0.000 1.112 104 R HN 0.302 nan 8.270 nan 0.000 0.564 105 D N 0.045 120.460 120.400 0.025 0.000 2.312 105 D HA 0.017 4.658 4.640 0.001 0.000 0.252 105 D C 0.245 176.592 176.300 0.079 0.000 1.150 105 D CA -0.250 53.771 54.000 0.035 0.000 0.870 105 D CB 0.858 41.665 40.800 0.011 0.000 1.153 105 D HN 0.166 nan 8.370 nan 0.000 0.457 106 K N 3.161 123.620 120.400 0.097 0.000 2.520 106 K HA -0.008 4.313 4.320 0.001 0.000 0.197 106 K C 0.865 177.600 176.600 0.225 0.000 1.044 106 K CA 0.761 57.139 56.287 0.152 0.000 0.938 106 K CB -1.100 31.488 32.500 0.146 0.000 0.767 106 K HN 0.776 nan 8.250 nan 0.000 0.481 107 G N 1.679 110.581 108.800 0.170 0.000 2.269 107 G HA2 -0.229 3.731 3.960 0.001 0.000 0.237 107 G HA3 -0.229 3.731 3.960 0.001 0.000 0.237 107 G C 0.218 175.212 174.900 0.156 0.000 0.761 107 G CA 0.616 45.816 45.100 0.166 0.000 1.141 107 G HN 0.464 nan 8.290 nan 0.000 0.319 108 L N 0.649 121.930 121.223 0.096 0.000 3.756 108 L HA 0.177 4.518 4.340 0.001 0.000 0.396 108 L C 1.944 178.786 176.870 -0.047 0.000 0.950 108 L CA 0.348 55.171 54.840 -0.029 0.000 1.666 108 L CB -0.554 41.517 42.059 0.020 0.000 2.391 108 L HN 0.486 nan 8.230 nan 0.000 0.600 109 Y N 1.456 121.712 120.300 -0.074 0.000 2.014 109 Y HA -0.158 4.393 4.550 0.001 0.000 0.270 109 Y C 2.069 177.904 175.900 -0.108 0.000 1.145 109 Y CA 2.669 60.714 58.100 -0.091 0.000 1.106 109 Y CB -0.639 37.792 38.460 -0.048 0.000 0.968 109 Y HN 0.153 nan 8.280 nan 0.000 0.484 110 G N -0.432 108.524 108.800 0.261 0.000 2.625 110 G HA2 -0.179 3.781 3.960 0.001 0.000 0.214 110 G HA3 -0.179 3.781 3.960 0.001 0.000 0.214 110 G C 1.492 176.406 174.900 0.023 0.000 1.132 110 G CA 0.414 45.600 45.100 0.143 0.000 0.782 110 G HN 0.386 nan 8.290 nan 0.000 0.538 111 K N -1.096 119.287 120.400 -0.028 0.000 2.432 111 K HA 0.149 4.469 4.320 0.001 0.000 0.196 111 K C 0.058 176.624 176.600 -0.057 0.000 1.038 111 K CA 0.143 56.425 56.287 -0.008 0.000 0.986 111 K CB 0.100 32.600 32.500 0.001 0.000 0.782 111 K HN 0.210 nan 8.250 nan 0.000 0.485 112 L N -0.555 120.505 121.223 -0.273 0.000 2.183 112 L HA 0.293 4.634 4.340 0.001 0.000 0.253 112 L C 0.505 177.225 176.870 -0.251 0.000 1.048 112 L CA -0.785 53.810 54.840 -0.408 0.000 0.890 112 L CB 0.689 42.208 42.059 -0.900 0.000 1.476 112 L HN -0.327 nan 8.230 nan 0.000 0.455 113 K N -0.185 120.073 120.400 -0.237 0.000 2.842 113 K HA 0.815 5.136 4.320 0.001 0.000 0.310 113 K C -0.674 175.791 176.600 -0.226 0.000 0.992 113 K CA -0.453 55.736 56.287 -0.163 0.000 1.207 113 K CB 0.671 33.103 32.500 -0.113 0.000 1.478 113 K HN 0.662 nan 8.250 nan 0.000 0.601 114 A N -1.271 121.447 122.820 -0.170 0.000 2.350 114 A HA 0.662 4.983 4.320 0.001 0.000 0.318 114 A C 0.357 177.843 177.584 -0.163 0.000 1.132 114 A CA 0.262 52.194 52.037 -0.175 0.000 0.811 114 A CB 1.244 20.182 19.000 -0.103 0.000 1.313 114 A HN 0.695 nan 8.150 nan 0.000 0.454 115 G N -1.089 107.616 108.800 -0.159 0.000 2.833 115 G HA2 -0.057 3.903 3.960 0.001 0.000 0.260 115 G HA3 -0.057 3.903 3.960 0.001 0.000 0.260 115 G C -0.223 174.564 174.900 -0.189 0.000 1.412 115 G CA 0.081 45.096 45.100 -0.141 0.000 0.986 115 G HN 1.782 nan 8.290 nan 0.000 0.556 116 V N 0.995 120.784 119.914 -0.209 0.000 2.357 116 V HA 0.619 4.739 4.120 0.001 0.000 0.284 116 V C 0.270 176.134 176.094 -0.383 0.000 1.018 116 V CA -0.281 61.838 62.300 -0.301 0.000 0.841 116 V CB 0.788 32.480 31.823 -0.218 0.000 0.991 116 V HN 0.956 nan 8.190 nan 0.000 0.437 117 C N 4.240 123.228 119.300 -0.519 0.000 2.889 117 C HA 0.871 5.332 4.460 0.001 0.000 0.307 117 C C -1.015 173.658 174.990 -0.527 0.000 1.251 117 C CA -0.943 57.825 59.018 -0.416 0.000 1.593 117 C CB 1.972 29.447 27.740 -0.441 0.000 2.104 117 C HN 0.766 nan 8.230 nan 0.000 0.476 118 Y N 0.006 120.383 120.300 0.129 0.000 2.562 118 Y HA 0.665 5.216 4.550 0.001 0.000 0.345 118 Y C 0.028 176.125 175.900 0.328 0.000 1.045 118 Y CA -0.677 57.503 58.100 0.134 0.000 1.028 118 Y CB 1.648 39.993 38.460 -0.192 0.000 1.297 118 Y HN 0.839 nan 8.280 nan 0.000 0.463 119 A N 1.890 124.993 122.820 0.473 0.000 2.353 119 A HA 0.863 5.184 4.320 0.001 0.000 0.299 119 A C -1.835 175.877 177.584 0.215 0.000 1.089 119 A CA -0.598 51.647 52.037 0.346 0.000 0.736 119 A CB 0.795 20.032 19.000 0.396 0.000 1.195 119 A HN 0.472 nan 8.150 nan 0.000 0.447 120 V N 3.232 123.226 119.914 0.132 0.000 2.932 120 V HA 0.521 4.641 4.120 0.001 0.000 0.307 120 V C -0.557 175.604 176.094 0.111 0.000 1.147 120 V CA -0.436 61.937 62.300 0.122 0.000 0.951 120 V CB 2.025 33.941 31.823 0.156 0.000 1.031 120 V HN 0.864 nan 8.190 nan 0.000 0.426 121 L N 2.307 123.603 121.223 0.122 0.000 2.319 121 L HA 0.673 5.014 4.340 0.001 0.000 0.267 121 L C -0.329 176.588 176.870 0.079 0.000 1.011 121 L CA -0.529 54.375 54.840 0.107 0.000 0.818 121 L CB 2.386 44.510 42.059 0.107 0.000 1.316 121 L HN 0.682 nan 8.230 nan 0.000 0.432 122 E N 0.948 121.192 120.200 0.073 0.000 2.331 122 E HA 0.342 4.693 4.350 0.001 0.000 0.243 122 E C -1.481 175.099 176.600 -0.033 0.000 0.925 122 E CA -0.267 56.160 56.400 0.045 0.000 0.760 122 E CB 1.480 31.234 29.700 0.090 0.000 1.254 122 E HN 0.500 nan 8.360 nan 0.000 0.419 123 T N 1.565 116.035 114.554 -0.141 0.000 2.912 123 T HA 0.393 4.744 4.350 0.001 0.000 0.288 123 T C -0.624 173.999 174.700 -0.129 0.000 1.030 123 T CA -0.545 61.411 62.100 -0.240 0.000 1.020 123 T CB 1.689 70.264 68.868 -0.488 0.000 1.056 123 T HN 0.105 nan 8.240 nan 0.000 0.480 124 V N 3.546 123.402 119.914 -0.096 0.000 2.313 124 V HA 0.282 4.402 4.120 0.001 0.000 0.278 124 V C 0.669 176.723 176.094 -0.068 0.000 1.017 124 V CA -0.964 61.301 62.300 -0.057 0.000 0.823 124 V CB 0.622 32.434 31.823 -0.017 0.000 1.010 124 V HN 0.827 nan 8.190 nan 0.000 0.443 125 N N 2.255 120.904 118.700 -0.084 0.000 2.202 125 N HA -0.047 4.693 4.740 0.001 0.000 0.218 125 N C 1.213 176.686 175.510 -0.063 0.000 1.328 125 N CA 0.335 53.331 53.050 -0.090 0.000 0.884 125 N CB 0.364 38.788 38.487 -0.104 0.000 1.106 125 N HN 0.635 nan 8.380 nan 0.000 0.439 126 S N 0.364 116.024 115.700 -0.066 0.000 2.447 126 S HA -0.056 4.414 4.470 0.001 0.000 0.233 126 S C 1.433 176.007 174.600 -0.043 0.000 1.006 126 S CA 0.952 59.124 58.200 -0.048 0.000 0.957 126 S CB -0.024 63.144 63.200 -0.053 0.000 0.773 126 S HN 0.445 nan 8.310 nan 0.000 0.507 127 R N 0.855 121.323 120.500 -0.053 0.000 2.240 127 R HA 0.322 4.663 4.340 0.001 0.000 0.203 127 R C 1.171 177.451 176.300 -0.035 0.000 1.011 127 R CA 0.592 56.666 56.100 -0.045 0.000 1.007 127 R CB -0.144 30.123 30.300 -0.054 0.000 0.911 127 R HN 0.310 nan 8.270 nan 0.000 0.468 128 A N 0.805 123.603 122.820 -0.036 0.000 3.157 128 A HA -0.208 4.113 4.320 0.001 0.000 0.237 128 A C -0.003 177.566 177.584 -0.025 0.000 1.330 128 A CA 0.506 52.529 52.037 -0.025 0.000 0.992 128 A CB -1.866 17.126 19.000 -0.014 0.000 1.131 128 A HN 0.433 nan 8.150 nan 0.000 0.781 129 Q N -0.145 119.632 119.800 -0.037 0.000 2.472 129 Q HA 0.285 4.625 4.340 0.001 0.000 0.227 129 Q C 0.459 176.439 176.000 -0.033 0.000 1.156 129 Q CA -0.375 55.408 55.803 -0.032 0.000 0.924 129 Q CB 0.451 29.164 28.738 -0.042 0.000 1.354 129 Q HN 0.518 nan 8.270 nan 0.000 0.525 130 R N 2.877 123.368 120.500 -0.015 0.000 2.486 130 R HA -0.077 4.264 4.340 0.001 0.000 0.304 130 R C -0.547 175.749 176.300 -0.006 0.000 0.913 130 R CA 0.505 56.600 56.100 -0.007 0.000 1.124 130 R CB 0.244 30.553 30.300 0.014 0.000 0.891 130 R HN 0.426 nan 8.270 nan 0.000 0.410 131 I N 5.917 126.473 120.570 -0.022 0.000 2.648 131 I HA 0.311 4.481 4.170 0.001 0.000 0.304 131 I C -0.210 175.926 176.117 0.031 0.000 1.009 131 I CA -1.113 60.182 61.300 -0.008 0.000 1.114 131 I CB 1.719 39.674 38.000 -0.074 0.000 1.293 131 I HN 0.527 nan 8.210 nan 0.000 0.449 132 I N 3.662 124.289 120.570 0.094 0.000 2.466 132 I HA 0.245 4.416 4.170 0.001 0.000 0.279 132 I C 0.211 176.429 176.117 0.169 0.000 1.033 132 I CA -0.212 61.177 61.300 0.150 0.000 1.123 132 I CB 1.477 39.608 38.000 0.218 0.000 1.237 132 I HN 0.580 nan 8.210 nan 0.000 0.460 133 T N 1.735 116.358 114.554 0.115 0.000 2.855 133 T HA 0.990 5.340 4.350 0.001 0.000 0.281 133 T C -0.016 174.727 174.700 0.071 0.000 1.007 133 T CA -0.571 61.608 62.100 0.132 0.000 1.009 133 T CB 2.024 70.961 68.868 0.115 0.000 0.983 133 T HN 0.870 nan 8.240 nan 0.000 0.455 134 G N 0.615 109.344 108.800 -0.118 0.000 2.321 134 G HA2 0.532 4.493 3.960 0.001 0.000 0.296 134 G HA3 0.532 4.493 3.960 0.001 0.000 0.296 134 G C -1.890 172.685 174.900 -0.543 0.000 1.287 134 G CA -0.267 44.696 45.100 -0.228 0.000 0.846 134 G HN 1.128 nan 8.290 nan 0.000 0.508 135 V N -0.316 119.592 119.914 -0.010 0.000 3.178 135 V HA 0.687 4.808 4.120 0.001 0.000 0.302 135 V C -0.130 176.365 176.094 0.668 0.000 1.262 135 V CA -1.001 61.506 62.300 0.344 0.000 1.030 135 V CB 2.075 33.975 31.823 0.128 0.000 1.074 135 V HN 0.989 nan 8.190 nan 0.000 0.438 136 R N 1.330 122.208 120.500 0.630 0.000 2.457 136 R HA 0.773 5.114 4.340 0.001 0.000 0.284 136 R C -1.908 174.424 176.300 0.055 0.000 1.024 136 R CA -0.363 55.918 56.100 0.302 0.000 1.025 136 R CB 1.104 31.551 30.300 0.246 0.000 1.063 136 R HN 0.553 nan 8.270 nan 0.000 0.493 137 L N 2.092 123.222 121.223 -0.154 0.000 2.371 137 L HA 0.538 4.878 4.340 0.001 0.000 0.262 137 L C -0.338 176.373 176.870 -0.265 0.000 1.006 137 L CA -0.498 54.232 54.840 -0.183 0.000 0.818 137 L CB 1.937 43.853 42.059 -0.238 0.000 1.354 137 L HN 0.768 nan 8.230 nan 0.000 0.415 145 K N 0.892 121.175 120.400 -0.195 0.000 2.895 145 K HA 0.339 4.660 4.320 0.001 0.000 0.191 145 K C -1.151 175.403 176.600 -0.076 0.000 1.117 145 K CA -0.432 55.575 56.287 -0.466 0.000 0.988 145 K CB 1.586 33.612 32.500 -0.790 0.000 1.181 145 K HN 0.147 nan 8.250 nan 0.000 0.598 146 K N 0.714 121.230 120.400 0.193 0.000 2.211 146 K HA 0.615 4.935 4.320 0.001 0.000 0.237 146 K C -0.951 175.809 176.600 0.267 0.000 1.002 146 K CA -0.733 55.679 56.287 0.209 0.000 0.885 146 K CB 1.594 34.155 32.500 0.100 0.000 1.136 146 K HN 0.015 nan 8.250 nan 0.000 0.448 147 V N 1.727 121.713 119.914 0.120 0.000 2.638 147 V HA 0.208 4.328 4.120 0.001 0.000 0.306 147 V C -1.131 174.956 176.094 -0.011 0.000 1.052 147 V CA -0.905 61.392 62.300 -0.004 0.000 0.885 147 V CB 1.755 33.547 31.823 -0.053 0.000 0.999 147 V HN 0.881 nan 8.190 nan 0.000 0.424 148 D N 3.272 123.647 120.400 -0.042 0.000 2.225 148 D HA 0.720 5.361 4.640 0.001 0.000 0.249 148 D C -0.828 175.460 176.300 -0.020 0.000 1.052 148 D CA 0.007 53.996 54.000 -0.019 0.000 0.909 148 D CB 1.119 41.906 40.800 -0.021 0.000 1.186 148 D HN 0.464 nan 8.370 nan 0.000 0.431 149 I N 2.227 122.806 120.570 0.016 0.000 2.722 149 I HA 0.379 4.549 4.170 0.001 0.000 0.292 149 I C -0.918 175.244 176.117 0.075 0.000 1.267 149 I CA -0.857 60.468 61.300 0.041 0.000 1.036 149 I CB 2.221 40.247 38.000 0.043 0.000 1.281 149 I HN 0.219 nan 8.210 nan 0.000 0.423 150 R N 6.362 126.938 120.500 0.128 0.000 2.531 150 R HA 0.538 4.878 4.340 0.001 0.000 0.293 150 R C -2.871 173.601 176.300 0.287 0.000 1.124 150 R CA -1.550 54.657 56.100 0.178 0.000 0.945 150 R CB 2.078 32.490 30.300 0.187 0.000 1.195 150 R HN 0.140 nan 8.270 nan 0.000 0.433 151 P HA 0.315 nan 4.420 nan 0.000 0.274 151 P C -1.118 176.562 177.300 0.634 0.000 1.264 151 P CA -0.006 63.190 63.100 0.160 0.000 0.795 151 P CB 0.346 31.869 31.700 -0.295 0.000 1.064 152 F N -3.971 116.309 119.950 0.549 0.000 2.944 152 F HA 0.627 5.155 4.527 0.001 0.000 0.324 152 F C -1.575 174.643 175.800 0.696 0.000 1.151 152 F CA -0.951 57.439 58.000 0.650 0.000 0.883 152 F CB 0.238 39.636 39.000 0.664 0.000 1.341 152 F HN 0.371 nan 8.300 nan 0.000 0.456 153 S N 0.633 116.777 115.700 0.739 0.000 2.661 153 S HA 0.916 5.386 4.470 0.001 0.000 0.285 153 S C -1.641 173.236 174.600 0.461 0.000 1.138 153 S CA -0.959 57.542 58.200 0.502 0.000 0.855 153 S CB 2.204 65.579 63.200 0.292 0.000 1.136 153 S HN 1.020 nan 8.310 nan 0.000 0.484 154 L N 1.438 122.833 121.223 0.287 0.000 2.595 154 L HA 0.351 4.692 4.340 0.001 0.000 0.259 154 L C -0.442 176.433 176.870 0.008 0.000 1.033 154 L CA -0.367 54.502 54.840 0.048 0.000 0.901 154 L CB 1.560 43.642 42.059 0.040 0.000 1.151 154 L HN 0.740 nan 8.230 nan 0.000 0.453 155 Q N 1.062 120.855 119.800 -0.012 0.000 2.222 155 Q HA 0.349 4.689 4.340 0.001 0.000 0.211 155 Q C 0.310 176.284 176.000 -0.044 0.000 1.013 155 Q CA -0.872 54.941 55.803 0.017 0.000 0.993 155 Q CB 0.588 29.367 28.738 0.069 0.000 1.151 155 Q HN 0.409 nan 8.270 nan 0.000 0.544 156 N N -0.806 117.888 118.700 -0.010 0.000 2.693 156 N HA -0.171 4.570 4.740 0.001 0.000 0.250 156 N C -1.241 174.270 175.510 0.002 0.000 1.033 156 N CA 0.469 53.516 53.050 -0.005 0.000 0.747 156 N CB -1.279 37.207 38.487 -0.003 0.000 0.964 156 N HN 0.196 nan 8.380 nan 0.000 0.540 157 V N 0.834 120.751 119.914 0.006 0.000 2.465 157 V HA 0.288 4.409 4.120 0.001 0.000 0.279 157 V C -1.482 174.646 176.094 0.055 0.000 1.045 157 V CA -1.243 61.086 62.300 0.048 0.000 0.938 157 V CB 1.380 33.241 31.823 0.064 0.000 0.986 157 V HN 0.001 nan 8.190 nan 0.000 0.467 158 P HA 0.180 nan 4.420 nan 0.000 0.269 158 P C 0.723 178.051 177.300 0.047 0.000 1.215 158 P CA -0.296 62.832 63.100 0.048 0.000 0.780 158 P CB 0.465 32.193 31.700 0.046 0.000 0.898 159 M N 0.926 120.548 119.600 0.037 0.000 2.287 159 M HA -0.059 4.421 4.480 0.001 0.000 0.266 159 M C 1.207 177.526 176.300 0.033 0.000 1.079 159 M CA 1.564 56.885 55.300 0.036 0.000 1.146 159 M CB -1.102 31.516 32.600 0.029 0.000 1.374 159 M HN 0.282 nan 8.290 nan 0.000 0.435 160 T N 0.885 115.456 114.554 0.027 0.000 3.139 160 T HA -0.065 4.286 4.350 0.001 0.000 0.267 160 T C -0.013 174.700 174.700 0.022 0.000 1.164 160 T CA 0.672 62.785 62.100 0.022 0.000 1.075 160 T CB -0.427 68.451 68.868 0.017 0.000 0.904 160 T HN 0.276 nan 8.240 nan 0.000 0.540 161 D N 1.420 121.838 120.400 0.030 0.000 2.381 161 D HA 0.254 4.895 4.640 0.001 0.000 0.235 161 D C -0.578 175.744 176.300 0.037 0.000 1.068 161 D CA -0.190 53.827 54.000 0.028 0.000 0.832 161 D CB 1.619 42.439 40.800 0.033 0.000 1.101 161 D HN -0.032 nan 8.370 nan 0.000 0.515 162 S N 1.156 116.874 115.700 0.029 0.000 2.457 162 S HA 0.015 4.485 4.470 0.001 0.000 0.294 162 S C 2.143 176.779 174.600 0.059 0.000 1.201 162 S CA -0.649 57.574 58.200 0.038 0.000 1.112 162 S CB 0.629 63.843 63.200 0.023 0.000 1.018 162 S HN 0.415 nan 8.310 nan 0.000 0.511 163 V N 3.183 123.151 119.914 0.090 0.000 2.511 163 V HA -0.288 3.832 4.120 0.001 0.000 0.257 163 V C 1.626 177.831 176.094 0.185 0.000 1.088 163 V CA 1.745 64.133 62.300 0.148 0.000 1.098 163 V CB -1.292 30.653 31.823 0.203 0.000 0.674 163 V HN 0.882 nan 8.190 nan 0.000 0.470 164 I N 2.396 123.044 120.570 0.130 0.000 2.194 164 I HA -0.226 3.944 4.170 0.001 0.000 0.246 164 I C 2.614 178.810 176.117 0.132 0.000 1.093 164 I CA 2.146 63.525 61.300 0.131 0.000 1.355 164 I CB -0.655 37.384 38.000 0.065 0.000 1.046 164 I HN 0.588 nan 8.210 nan 0.000 0.413 165 S N 0.399 116.142 115.700 0.072 0.000 2.603 165 S HA 0.137 4.608 4.470 0.001 0.000 0.220 165 S C 1.449 176.033 174.600 -0.026 0.000 0.967 165 S CA 0.088 58.307 58.200 0.032 0.000 0.920 165 S CB -0.389 62.814 63.200 0.004 0.000 0.773 165 S HN 0.407 nan 8.310 nan 0.000 0.529 166 L N 0.153 121.359 121.223 -0.028 0.000 2.672 166 L HA 0.389 4.730 4.340 0.001 0.000 0.236 166 L C 0.157 176.686 176.870 -0.568 0.000 1.186 166 L CA 0.213 54.906 54.840 -0.246 0.000 0.977 166 L CB -0.370 41.595 42.059 -0.157 0.000 1.203 166 L HN 0.296 nan 8.230 nan 0.000 0.448 167 F N -2.360 117.555 119.950 -0.058 0.000 3.064 167 F HA 0.012 4.539 4.527 0.001 0.000 0.406 167 F C 0.976 176.785 175.800 0.013 0.000 1.027 167 F CA -0.442 57.514 58.000 -0.073 0.000 0.960 167 F CB 0.443 39.397 39.000 -0.075 0.000 1.418 167 F HN -0.095 nan 8.300 nan 0.000 0.536 168 T N -1.512 113.150 114.554 0.180 0.000 2.859 168 T HA 0.703 5.054 4.350 0.001 0.000 0.281 168 T C -0.554 174.196 174.700 0.083 0.000 1.005 168 T CA -0.404 61.794 62.100 0.164 0.000 1.025 168 T CB 2.929 71.905 68.868 0.181 0.000 0.977 168 T HN 0.140 nan 8.240 nan 0.000 0.458 169 E N 0.871 121.124 120.200 0.089 0.000 2.369 169 E HA 0.419 4.770 4.350 0.001 0.000 0.270 169 E C -0.886 175.743 176.600 0.049 0.000 0.909 169 E CA -0.846 55.580 56.400 0.043 0.000 0.775 169 E CB 1.782 31.497 29.700 0.025 0.000 1.270 169 E HN 0.584 nan 8.360 nan 0.000 0.445 177 V N 3.810 123.822 119.914 0.164 0.000 2.444 177 V HA 0.375 4.496 4.120 0.001 0.000 0.294 177 V C 0.055 176.220 176.094 0.119 0.000 1.022 177 V CA -0.890 61.504 62.300 0.156 0.000 0.850 177 V CB 1.302 33.205 31.823 0.133 0.000 0.992 177 V HN 0.615 nan 8.190 nan 0.000 0.426 178 L N 3.409 124.694 121.223 0.104 0.000 2.342 178 L HA 0.623 4.963 4.340 0.001 0.000 0.285 178 L C 0.839 177.752 176.870 0.072 0.000 1.095 178 L CA -0.039 54.831 54.840 0.051 0.000 0.843 178 L CB 0.776 42.830 42.059 -0.008 0.000 1.201 178 L HN 0.726 nan 8.230 nan 0.000 0.445 179 S N 3.805 119.546 115.700 0.068 0.000 2.549 179 S HA -0.017 4.454 4.470 0.001 0.000 0.278 179 S C 1.343 175.975 174.600 0.054 0.000 1.344 179 S CA -0.280 57.969 58.200 0.082 0.000 1.025 179 S CB 0.536 63.759 63.200 0.039 0.000 0.851 179 S HN 0.813 nan 8.310 nan 0.000 0.530 180 L N 1.172 122.448 121.223 0.088 0.000 2.064 180 L HA -0.245 4.095 4.340 0.001 0.000 0.216 180 L C 2.904 179.758 176.870 -0.026 0.000 1.077 180 L CA 2.104 56.950 54.840 0.010 0.000 0.766 180 L CB -0.893 41.219 42.059 0.088 0.000 0.890 180 L HN 0.799 nan 8.230 nan 0.000 0.435 181 N N -0.192 118.520 118.700 0.021 0.000 2.188 181 N HA -0.168 4.573 4.740 0.001 0.000 0.184 181 N C 1.349 176.856 175.510 -0.005 0.000 1.018 181 N CA 1.450 54.517 53.050 0.027 0.000 0.858 181 N CB -0.010 38.495 38.487 0.031 0.000 0.989 181 N HN 0.335 nan 8.380 nan 0.000 0.426 182 D N 0.779 121.163 120.400 -0.026 0.000 2.117 182 D HA -0.064 4.576 4.640 0.001 0.000 0.198 182 D C 2.093 178.334 176.300 -0.099 0.000 0.982 182 D CA 0.541 54.512 54.000 -0.048 0.000 0.828 182 D CB -0.327 40.447 40.800 -0.043 0.000 0.967 182 D HN 0.251 nan 8.370 nan 0.000 0.464 183 L N 0.670 121.801 121.223 -0.154 0.000 2.141 183 L HA -0.124 4.217 4.340 0.001 0.000 0.209 183 L C 2.350 179.082 176.870 -0.229 0.000 1.094 183 L CA 0.922 55.598 54.840 -0.273 0.000 0.763 183 L CB -0.368 41.456 42.059 -0.392 0.000 0.908 183 L HN 0.058 nan 8.230 nan 0.000 0.437 184 K N 0.757 121.088 120.400 -0.115 0.000 2.209 184 K HA -0.192 4.128 4.320 0.001 0.000 0.204 184 K C 1.658 178.325 176.600 0.113 0.000 1.048 184 K CA 1.515 57.872 56.287 0.116 0.000 0.940 184 K CB 0.026 32.693 32.500 0.278 0.000 0.729 184 K HN 0.470 nan 8.250 nan 0.000 0.451 185 E N 0.883 121.094 120.200 0.017 0.000 2.112 185 E HA -0.138 4.213 4.350 0.001 0.000 0.190 185 E C 1.855 178.433 176.600 -0.036 0.000 0.979 185 E CA 0.312 56.716 56.400 0.007 0.000 0.814 185 E CB -0.152 29.539 29.700 -0.015 0.000 0.762 185 E HN 0.239 nan 8.360 nan 0.000 0.460 186 K N 0.848 121.164 120.400 -0.141 0.000 2.015 186 K HA -0.189 4.132 4.320 0.001 0.000 0.220 186 K C 2.046 178.517 176.600 -0.214 0.000 1.055 186 K CA 1.859 57.973 56.287 -0.288 0.000 0.951 186 K CB -0.364 31.780 32.500 -0.593 0.000 0.725 186 K HN 0.139 nan 8.250 nan 0.000 0.449 187 F N 0.811 120.731 119.950 -0.050 0.000 2.084 187 F HA -0.148 4.379 4.527 0.001 0.000 0.296 187 F C 2.499 178.304 175.800 0.008 0.000 1.111 187 F CA 0.824 58.815 58.000 -0.016 0.000 1.224 187 F CB -0.398 38.606 39.000 0.006 0.000 0.991 187 F HN 0.277 nan 8.300 nan 0.000 0.471 188 E N 0.755 121.091 120.200 0.226 0.000 2.146 188 E HA -0.392 3.959 4.350 0.001 0.000 0.241 188 E C 1.983 178.640 176.600 0.094 0.000 0.937 188 E CA 2.309 58.787 56.400 0.130 0.000 0.916 188 E CB -0.335 29.419 29.700 0.090 0.000 0.884 188 E HN 0.411 nan 8.360 nan 0.000 0.561 189 E N -0.255 119.983 120.200 0.062 0.000 2.086 189 E HA -0.213 4.137 4.350 0.001 0.000 0.205 189 E C 1.562 178.194 176.600 0.054 0.000 1.027 189 E CA 1.627 58.054 56.400 0.045 0.000 0.830 189 E CB -0.372 29.344 29.700 0.027 0.000 0.751 189 E HN 0.340 nan 8.360 nan 0.000 0.456 190 T N 0.266 114.860 114.554 0.067 0.000 3.244 190 T HA 0.135 4.486 4.350 0.001 0.000 0.422 190 T C 0.310 175.070 174.700 0.100 0.000 1.121 190 T CA 0.358 62.504 62.100 0.077 0.000 1.112 190 T CB 0.181 69.100 68.868 0.085 0.000 1.369 190 T HN 0.247 nan 8.240 nan 0.000 0.513 191 A N 0.658 123.548 122.820 0.117 0.000 2.508 191 A HA 0.627 4.948 4.320 0.001 0.000 0.336 191 A C -0.898 176.739 177.584 0.088 0.000 1.360 191 A CA -0.466 51.624 52.037 0.089 0.000 0.841 191 A CB -0.107 18.929 19.000 0.060 0.000 1.136 191 A HN 0.525 nan 8.150 nan 0.000 0.489 192 V N 0.212 120.149 119.914 0.039 0.000 3.234 192 V HA 0.420 4.541 4.120 0.001 0.000 0.280 192 V C -0.444 175.532 176.094 -0.196 0.000 1.580 192 V CA -0.839 61.359 62.300 -0.169 0.000 1.032 192 V CB 2.055 33.521 31.823 -0.594 0.000 1.203 192 V HN 0.539 nan 8.190 nan 0.000 0.459 193 T N 3.549 117.962 114.554 -0.235 0.000 2.977 193 T HA 0.491 4.841 4.350 0.001 0.000 0.346 193 T C -0.937 173.708 174.700 -0.090 0.000 1.140 193 T CA -0.033 61.992 62.100 -0.124 0.000 1.040 193 T CB 0.277 69.111 68.868 -0.057 0.000 1.046 193 T HN 0.588 nan 8.240 nan 0.000 0.494 194 F N 3.970 123.801 119.950 -0.199 0.000 2.405 194 F HA 0.563 5.091 4.527 0.001 0.000 0.355 194 F C -0.228 175.498 175.800 -0.124 0.000 1.121 194 F CA -1.309 56.630 58.000 -0.101 0.000 1.112 194 F CB 0.636 39.625 39.000 -0.018 0.000 1.126 194 F HN 0.187 nan 8.300 nan 0.000 0.481 195 K N 7.875 127.858 120.400 -0.696 0.000 2.507 195 K HA 0.324 4.645 4.320 0.001 0.000 0.253 195 K C -2.727 173.186 176.600 -1.144 0.000 0.969 195 K CA -1.823 53.860 56.287 -1.006 0.000 0.908 195 K CB 1.607 33.512 32.500 -0.990 0.000 1.127 195 K HN 0.347 nan 8.250 nan 0.000 0.437 196 P HA -0.015 nan 4.420 nan 0.000 0.266 196 P C -1.091 176.056 177.300 -0.254 0.000 1.419 196 P CA -0.043 62.797 63.100 -0.434 0.000 1.112 196 P CB -0.147 31.394 31.700 -0.265 0.000 1.438 197 Y N 1.641 121.963 120.300 0.036 0.000 2.544 197 Y HA 0.030 4.581 4.550 0.001 0.000 0.330 197 Y C 2.124 178.123 175.900 0.166 0.000 1.136 197 Y CA 0.571 58.699 58.100 0.046 0.000 1.417 197 Y CB -0.015 38.485 38.460 0.067 0.000 1.229 197 Y HN 0.511 nan 8.280 nan 0.000 0.532 198 H N 0.470 119.626 119.070 0.143 0.000 2.390 198 H HA -0.031 4.525 4.556 0.001 0.000 0.314 198 H C 0.695 176.071 175.328 0.081 0.000 1.053 198 H CA 0.538 56.635 56.048 0.081 0.000 1.353 198 H CB -0.044 29.747 29.762 0.047 0.000 1.464 198 H HN 0.456 nan 8.280 nan 0.000 0.571 199 S N 0.438 116.272 115.700 0.224 0.000 2.562 199 S HA 0.052 4.523 4.470 0.001 0.000 0.275 199 S C 1.307 175.931 174.600 0.041 0.000 1.281 199 S CA -0.502 57.758 58.200 0.100 0.000 1.045 199 S CB 0.675 63.918 63.200 0.071 0.000 0.962 199 S HN 0.419 nan 8.310 nan 0.000 0.503 200 I N 4.469 125.022 120.570 -0.028 0.000 2.335 200 I HA -0.189 3.982 4.170 0.001 0.000 0.251 200 I C 1.852 177.798 176.117 -0.286 0.000 1.129 200 I CA 1.774 62.985 61.300 -0.149 0.000 1.402 200 I CB -0.533 37.367 38.000 -0.166 0.000 1.069 200 I HN 0.760 nan 8.210 nan 0.000 0.424 201 T N 0.945 115.386 114.554 -0.187 0.000 2.649 201 T HA -0.266 4.085 4.350 0.001 0.000 0.268 201 T C 1.505 176.129 174.700 -0.126 0.000 1.036 201 T CA 2.040 64.041 62.100 -0.164 0.000 1.157 201 T CB -0.489 68.342 68.868 -0.061 0.000 0.861 201 T HN 0.501 nan 8.240 nan 0.000 0.445 202 D N -0.275 120.084 120.400 -0.068 0.000 2.097 202 D HA -0.090 4.551 4.640 0.001 0.000 0.195 202 D C 1.803 178.034 176.300 -0.114 0.000 0.989 202 D CA 1.020 55.005 54.000 -0.026 0.000 0.827 202 D CB -0.437 40.404 40.800 0.068 0.000 0.966 202 D HN 0.400 nan 8.370 nan 0.000 0.456 203 Y N 1.976 121.993 120.300 -0.471 0.000 2.002 203 Y HA -0.344 4.206 4.550 0.001 0.000 0.268 203 Y C 2.401 178.268 175.900 -0.056 0.000 1.177 203 Y CA 2.113 59.882 58.100 -0.551 0.000 1.111 203 Y CB -0.850 37.361 38.460 -0.415 0.000 0.952 203 Y HN 0.229 nan 8.280 nan 0.000 0.491 204 H N -2.235 116.800 119.070 -0.059 0.000 2.290 204 H HA -0.169 4.387 4.556 0.001 0.000 0.298 204 H C 2.425 177.696 175.328 -0.095 0.000 1.087 204 H CA 1.020 56.991 56.048 -0.128 0.000 1.291 204 H CB -0.504 29.202 29.762 -0.094 0.000 1.369 204 H HN 0.302 nan 8.280 nan 0.000 0.492 205 S N -0.132 115.618 115.700 0.083 0.000 2.571 205 S HA -0.156 4.315 4.470 0.001 0.000 0.245 205 S C 1.396 176.075 174.600 0.131 0.000 0.976 205 S CA 0.724 58.976 58.200 0.086 0.000 0.954 205 S CB -0.349 62.886 63.200 0.058 0.000 0.756 205 S HN 0.373 nan 8.310 nan 0.000 0.535 206 F N 0.556 120.447 119.950 -0.098 0.000 2.514 206 F HA 0.410 4.937 4.527 0.001 0.000 0.281 206 F C 1.715 177.428 175.800 -0.145 0.000 1.060 206 F CA 0.337 58.271 58.000 -0.110 0.000 1.397 206 F CB -0.299 38.605 39.000 -0.159 0.000 1.129 206 F HN 0.134 nan 8.300 nan 0.000 0.620 207 M N -0.672 118.744 119.600 -0.307 0.000 2.132 207 M HA -0.125 4.355 4.480 0.001 0.000 0.263 207 M C 2.119 178.272 176.300 -0.245 0.000 1.065 207 M CA 1.793 56.862 55.300 -0.385 0.000 1.122 207 M CB -0.777 31.623 32.600 -0.333 0.000 1.365 207 M HN 0.279 nan 8.290 nan 0.000 0.411 208 F N 1.966 121.756 119.950 -0.267 0.000 2.102 208 F HA -0.229 4.298 4.527 0.001 0.000 0.298 208 F C 1.849 177.529 175.800 -0.200 0.000 1.105 208 F CA 1.807 59.678 58.000 -0.215 0.000 1.239 208 F CB -0.444 38.446 39.000 -0.184 0.000 0.991 208 F HN 0.122 nan 8.300 nan 0.000 0.474 209 D N 0.446 120.714 120.400 -0.220 0.000 2.182 209 D HA -0.170 4.471 4.640 0.001 0.000 0.201 209 D C 2.411 178.497 176.300 -0.357 0.000 0.986 209 D CA 1.345 55.171 54.000 -0.291 0.000 0.847 209 D CB -0.336 40.388 40.800 -0.127 0.000 0.942 209 D HN 0.337 nan 8.370 nan 0.000 0.467 210 L N -0.982 119.990 121.223 -0.420 0.000 2.022 210 L HA 0.145 4.485 4.340 0.001 0.000 0.204 210 L C 1.328 178.005 176.870 -0.321 0.000 1.076 210 L CA 1.075 55.674 54.840 -0.401 0.000 0.749 210 L CB -0.108 41.627 42.059 -0.541 0.000 0.903 210 L HN 0.171 nan 8.230 nan 0.000 0.439 211 G N -1.211 107.402 108.800 -0.312 0.000 3.268 211 G HA2 0.102 4.062 3.960 0.001 0.000 0.233 211 G HA3 0.102 4.062 3.960 0.001 0.000 0.233 211 G C -0.145 174.648 174.900 -0.178 0.000 3.485 211 G CA -0.616 44.339 45.100 -0.242 0.000 0.718 211 G HN 0.007 nan 8.290 nan 0.000 0.371 212 I N -0.588 119.891 120.570 -0.152 0.000 3.685 212 I HA 0.324 4.495 4.170 0.001 0.000 0.258 212 I C 0.719 176.853 176.117 0.028 0.000 1.135 212 I CA 0.137 61.390 61.300 -0.077 0.000 1.436 212 I CB -0.897 37.023 38.000 -0.133 0.000 1.670 212 I HN 0.071 nan 8.210 nan 0.000 0.424 213 L N 4.048 125.276 121.223 0.008 0.000 2.477 213 L HA 0.136 4.477 4.340 0.001 0.000 0.272 213 L C -1.701 175.233 176.870 0.106 0.000 1.157 213 L CA -0.662 54.166 54.840 -0.020 0.000 0.889 213 L CB -0.282 41.656 42.059 -0.200 0.000 1.158 213 L HN -0.033 nan 8.230 nan 0.000 0.473 214 P HA 0.080 nan 4.420 nan 0.000 0.258 214 P C -0.105 177.188 177.300 -0.013 0.000 1.403 214 P CA 0.545 63.722 63.100 0.129 0.000 0.826 214 P CB 0.188 32.007 31.700 0.200 0.000 1.414 215 K N -0.707 119.520 120.400 -0.288 0.000 2.610 215 K HA 0.302 4.622 4.320 0.001 0.000 0.278 215 K C -0.993 174.985 176.600 -1.038 0.000 0.964 215 K CA -0.864 55.012 56.287 -0.684 0.000 0.859 215 K CB 1.289 33.139 32.500 -1.082 0.000 1.434 215 K HN -0.431 nan 8.250 nan 0.000 0.410 216 R N 3.225 123.093 120.500 -1.054 0.000 2.612 216 R HA 0.194 4.535 4.340 0.001 0.000 0.273 216 R C -0.624 175.341 176.300 -0.558 0.000 1.376 216 R CA -0.467 55.051 56.100 -0.970 0.000 1.171 216 R CB -1.015 28.867 30.300 -0.696 0.000 1.151 216 R HN 0.335 nan 8.270 nan 0.000 0.560 217 L N 4.964 125.896 121.223 -0.484 0.000 2.451 217 L HA 0.134 4.474 4.340 0.001 0.000 0.272 217 L C 1.712 178.514 176.870 -0.113 0.000 1.258 217 L CA 0.478 55.159 54.840 -0.266 0.000 1.132 217 L CB -0.151 41.790 42.059 -0.196 0.000 1.361 217 L HN 0.252 nan 8.230 nan 0.000 0.438 218 R N -0.073 120.346 120.500 -0.136 0.000 2.046 218 R HA 0.137 4.478 4.340 0.001 0.000 0.223 218 R C 0.934 177.208 176.300 -0.043 0.000 1.179 218 R CA 0.605 56.655 56.100 -0.083 0.000 0.952 218 R CB -0.084 30.163 30.300 -0.089 0.000 0.843 218 R HN 0.516 nan 8.270 nan 0.000 0.439 219 S N -0.989 114.686 115.700 -0.041 0.000 2.747 219 S HA 0.128 4.599 4.470 0.001 0.000 0.300 219 S C 1.058 175.655 174.600 -0.005 0.000 1.121 219 S CA -0.535 57.654 58.200 -0.019 0.000 0.995 219 S CB 1.745 64.934 63.200 -0.019 0.000 1.113 219 S HN 0.190 nan 8.310 nan 0.000 0.547 220 S N 1.460 117.164 115.700 0.006 0.000 2.387 220 S HA -0.114 4.357 4.470 0.001 0.000 0.230 220 S C 1.912 176.523 174.600 0.019 0.000 1.035 220 S CA 2.367 60.578 58.200 0.019 0.000 1.014 220 S CB -0.824 62.385 63.200 0.014 0.000 0.836 220 S HN 0.684 nan 8.310 nan 0.000 0.466 221 S N 1.514 117.216 115.700 0.003 0.000 2.359 221 S HA -0.167 4.303 4.470 0.001 0.000 0.223 221 S C 1.470 176.064 174.600 -0.011 0.000 1.039 221 S CA 1.856 60.054 58.200 -0.003 0.000 1.042 221 S CB -0.860 62.330 63.200 -0.016 0.000 0.915 221 S HN 0.686 nan 8.310 nan 0.000 0.439 222 D N 0.745 121.125 120.400 -0.033 0.000 2.117 222 D HA -0.048 4.592 4.640 0.001 0.000 0.197 222 D C 2.207 178.481 176.300 -0.043 0.000 0.987 222 D CA 1.025 54.980 54.000 -0.075 0.000 0.829 222 D CB -0.146 40.575 40.800 -0.131 0.000 0.961 222 D HN 0.333 nan 8.370 nan 0.000 0.460 223 R N -0.020 120.491 120.500 0.018 0.000 2.075 223 R HA 0.009 4.350 4.340 0.001 0.000 0.226 223 R C 1.999 178.412 176.300 0.189 0.000 1.114 223 R CA 0.840 57.003 56.100 0.105 0.000 0.972 223 R CB -0.335 30.060 30.300 0.159 0.000 0.869 223 R HN 0.101 nan 8.270 nan 0.000 0.437 224 N N 1.340 120.116 118.700 0.128 0.000 2.060 224 N HA -0.220 4.520 4.740 0.001 0.000 0.195 224 N C 1.306 176.952 175.510 0.227 0.000 1.028 224 N CA 1.773 54.902 53.050 0.133 0.000 0.861 224 N CB 0.083 38.619 38.487 0.082 0.000 1.029 224 N HN 0.126 nan 8.380 nan 0.000 0.428 225 K N -1.164 119.379 120.400 0.239 0.000 2.097 225 K HA -0.128 4.193 4.320 0.001 0.000 0.205 225 K C 1.778 178.713 176.600 0.559 0.000 1.050 225 K CA 0.880 57.417 56.287 0.418 0.000 0.938 225 K CB -0.300 32.310 32.500 0.183 0.000 0.718 225 K HN 0.186 nan 8.250 nan 0.000 0.442 226 F N 1.288 121.372 119.950 0.223 0.000 2.010 226 F HA -0.305 4.222 4.527 0.001 0.000 0.296 226 F C 2.276 178.197 175.800 0.201 0.000 1.146 226 F CA 1.461 59.551 58.000 0.150 0.000 1.181 226 F CB -1.018 37.932 39.000 -0.084 0.000 0.965 226 F HN 0.025 nan 8.300 nan 0.000 0.480 227 Y N 1.152 121.450 120.300 -0.003 0.000 2.173 227 Y HA -0.359 4.192 4.550 0.001 0.000 0.282 227 Y C 2.568 178.367 175.900 -0.167 0.000 1.192 227 Y CA 2.602 60.611 58.100 -0.151 0.000 1.176 227 Y CB -0.615 37.834 38.460 -0.018 0.000 0.969 227 Y HN 0.201 nan 8.280 nan 0.000 0.519 228 K N 0.114 120.613 120.400 0.165 0.000 2.097 228 K HA -0.203 4.118 4.320 0.001 0.000 0.206 228 K C 2.215 178.744 176.600 -0.118 0.000 1.049 228 K CA 1.508 57.831 56.287 0.060 0.000 0.933 228 K CB -0.405 32.197 32.500 0.170 0.000 0.717 228 K HN 0.536 nan 8.250 nan 0.000 0.442 229 L N 0.742 121.918 121.223 -0.079 0.000 2.027 229 L HA -0.147 4.194 4.340 0.001 0.000 0.206 229 L C 1.972 178.682 176.870 -0.266 0.000 1.074 229 L CA 1.390 56.143 54.840 -0.145 0.000 0.745 229 L CB -0.190 41.877 42.059 0.014 0.000 0.898 229 L HN 0.197 nan 8.230 nan 0.000 0.433 230 I N -0.072 120.260 120.570 -0.397 0.000 2.361 230 I HA -0.297 3.873 4.170 0.001 0.000 0.251 230 I C 2.497 178.334 176.117 -0.468 0.000 1.133 230 I CA 1.526 62.577 61.300 -0.416 0.000 1.413 230 I CB -0.406 37.254 38.000 -0.566 0.000 1.073 230 I HN 0.449 nan 8.210 nan 0.000 0.424 231 E N 1.322 121.154 120.200 -0.613 0.000 2.047 231 E HA -0.201 4.150 4.350 0.001 0.000 0.191 231 E C 2.344 178.596 176.600 -0.579 0.000 0.987 231 E CA 1.142 57.091 56.400 -0.752 0.000 0.799 231 E CB -0.044 29.276 29.700 -0.633 0.000 0.752 231 E HN 0.457 nan 8.360 nan 0.000 0.449 232 A N 0.722 123.328 122.820 -0.357 0.000 2.024 232 A HA -0.206 4.114 4.320 0.001 0.000 0.220 232 A C 2.243 179.710 177.584 -0.194 0.000 1.164 232 A CA 2.050 53.945 52.037 -0.236 0.000 0.643 232 A CB -0.580 18.296 19.000 -0.206 0.000 0.806 232 A HN 0.427 nan 8.150 nan 0.000 0.451 233 S N -0.955 114.625 115.700 -0.200 0.000 2.458 233 S HA 0.129 4.599 4.470 0.001 0.000 0.223 233 S C 1.825 176.392 174.600 -0.055 0.000 1.019 233 S CA 0.745 58.875 58.200 -0.116 0.000 0.937 233 S CB -0.424 62.710 63.200 -0.110 0.000 0.788 233 S HN 0.431 nan 8.310 nan 0.000 0.511 234 L N -0.345 120.777 121.223 -0.167 0.000 2.044 234 L HA 0.038 4.379 4.340 0.001 0.000 0.205 234 L C 2.409 179.307 176.870 0.047 0.000 1.075 234 L CA 1.500 56.246 54.840 -0.157 0.000 0.747 234 L CB -0.378 41.408 42.059 -0.455 0.000 0.903 234 L HN 0.393 nan 8.230 nan 0.000 0.435 235 Y N -0.782 119.473 120.300 -0.075 0.000 2.397 235 Y HA 0.192 4.743 4.550 0.001 0.000 0.292 235 Y C 1.609 177.478 175.900 -0.052 0.000 1.115 235 Y CA -0.177 57.889 58.100 -0.056 0.000 1.208 235 Y CB 0.127 38.550 38.460 -0.062 0.000 1.046 235 Y HN 0.325 nan 8.280 nan 0.000 0.552 236 G N 0.132 108.972 108.800 0.066 0.000 2.660 236 G HA2 0.135 4.096 3.960 0.001 0.000 0.215 236 G HA3 0.135 4.096 3.960 0.001 0.000 0.215 236 G C 0.109 174.997 174.900 -0.021 0.000 1.345 236 G CA -0.549 44.549 45.100 -0.003 0.000 0.877 236 G HN 1.065 nan 8.290 nan 0.000 0.549 237 G N -1.680 107.087 108.800 -0.055 0.000 2.877 237 G HA2 0.213 4.174 3.960 0.001 0.000 0.279 237 G HA3 0.213 4.174 3.960 0.001 0.000 0.279 237 G C 0.112 174.962 174.900 -0.083 0.000 1.431 237 G CA -0.031 45.030 45.100 -0.064 0.000 0.883 237 G HN 1.855 nan 8.290 nan 0.000 0.547 238 I N 0.894 121.416 120.570 -0.080 0.000 2.494 238 I HA 0.184 4.354 4.170 0.001 0.000 0.289 238 I C 1.511 177.576 176.117 -0.087 0.000 1.106 238 I CA 0.181 61.426 61.300 -0.092 0.000 1.369 238 I CB 0.214 38.167 38.000 -0.078 0.000 1.410 238 I HN 0.652 nan 8.210 nan 0.000 0.523 239 S N 4.790 120.420 115.700 -0.116 0.000 2.711 239 S HA -0.055 4.415 4.470 0.001 0.000 0.335 239 S C 1.673 176.208 174.600 -0.107 0.000 1.175 239 S CA 0.365 58.493 58.200 -0.120 0.000 1.372 239 S CB -0.159 62.931 63.200 -0.183 0.000 1.337 239 S HN 0.751 nan 8.310 nan 0.000 0.572 240 S N 4.131 119.792 115.700 -0.065 0.000 2.414 240 S HA -0.175 4.295 4.470 0.001 0.000 0.241 240 S C 1.666 176.231 174.600 -0.057 0.000 1.079 240 S CA 2.266 60.436 58.200 -0.050 0.000 1.087 240 S CB -0.502 62.684 63.200 -0.024 0.000 0.927 240 S HN 0.698 nan 8.310 nan 0.000 0.456 241 V N 2.254 122.128 119.914 -0.066 0.000 2.270 241 V HA -0.125 3.995 4.120 0.001 0.000 0.245 241 V C 2.458 178.480 176.094 -0.120 0.000 1.043 241 V CA 1.641 63.905 62.300 -0.059 0.000 1.014 241 V CB -0.722 31.080 31.823 -0.035 0.000 0.645 241 V HN 0.473 nan 8.190 nan 0.000 0.447 242 I N 0.795 121.208 120.570 -0.261 0.000 2.163 242 I HA -0.231 3.940 4.170 0.001 0.000 0.243 242 I C 2.609 178.603 176.117 -0.205 0.000 1.085 242 I CA 2.099 63.154 61.300 -0.409 0.000 1.347 242 I CB -1.941 35.755 38.000 -0.506 0.000 1.044 242 I HN 0.344 nan 8.210 nan 0.000 0.408 243 T N 1.343 115.807 114.554 -0.150 0.000 2.665 243 T HA -0.219 4.131 4.350 0.001 0.000 0.268 243 T C 1.801 176.464 174.700 -0.062 0.000 1.035 243 T CA 1.472 63.512 62.100 -0.100 0.000 1.151 243 T CB -0.271 68.547 68.868 -0.083 0.000 0.862 243 T HN 0.361 nan 8.240 nan 0.000 0.438 244 K N 0.919 121.293 120.400 -0.043 0.000 2.515 244 K HA 0.088 4.408 4.320 0.001 0.000 0.196 244 K C 0.640 177.244 176.600 0.006 0.000 1.038 244 K CA 0.562 56.839 56.287 -0.017 0.000 0.967 244 K CB 0.247 32.744 32.500 -0.006 0.000 0.780 244 K HN 0.079 nan 8.250 nan 0.000 0.483 245 S N 0.478 116.193 115.700 0.026 0.000 2.598 245 S HA 0.231 4.701 4.470 0.001 0.000 0.209 245 S C 0.786 175.461 174.600 0.124 0.000 1.029 245 S CA -0.366 57.884 58.200 0.083 0.000 1.172 245 S CB 0.259 63.556 63.200 0.162 0.000 1.427 245 S HN 0.092 nan 8.310 nan 0.000 0.418 246 L N 1.638 122.877 121.223 0.027 0.000 1.971 246 L HA -0.220 4.121 4.340 0.001 0.000 0.215 246 L C 2.769 179.660 176.870 0.035 0.000 1.072 246 L CA 1.733 56.574 54.840 0.002 0.000 0.758 246 L CB -0.538 41.487 42.059 -0.057 0.000 0.889 246 L HN 0.504 nan 8.230 nan 0.000 0.433 247 R N 0.008 120.501 120.500 -0.013 0.000 2.261 247 R HA -0.189 4.152 4.340 0.001 0.000 0.236 247 R C 0.735 177.028 176.300 -0.012 0.000 1.141 247 R CA 1.856 57.929 56.100 -0.046 0.000 1.001 247 R CB -0.823 29.416 30.300 -0.101 0.000 0.866 247 R HN 0.397 nan 8.270 nan 0.000 0.468 248 D N -0.791 119.639 120.400 0.049 0.000 2.340 248 D HA 0.007 4.648 4.640 0.001 0.000 0.220 248 D C -0.239 175.986 176.300 -0.126 0.000 1.039 248 D CA 0.626 54.609 54.000 -0.027 0.000 0.866 248 D CB 0.274 41.040 40.800 -0.057 0.000 0.913 248 D HN 0.341 nan 8.370 nan 0.000 0.523 249 Y N -0.664 119.595 120.300 -0.068 0.000 2.742 249 Y HA 0.393 4.944 4.550 0.001 0.000 0.248 249 Y C 0.795 176.494 175.900 -0.335 0.000 1.132 249 Y CA -0.160 57.823 58.100 -0.195 0.000 1.142 249 Y CB 0.475 38.776 38.460 -0.264 0.000 1.222 249 Y HN -0.111 nan 8.280 nan 0.000 0.575 250 L N -1.736 119.451 121.223 -0.059 0.000 2.437 250 L HA 0.239 4.579 4.340 0.001 0.000 0.188 250 L C -0.807 176.054 176.870 -0.015 0.000 1.123 250 L CA -0.140 54.645 54.840 -0.091 0.000 0.981 250 L CB 0.318 42.327 42.059 -0.083 0.000 1.935 250 L HN -0.184 nan 8.230 nan 0.000 0.494 251 L N 3.403 124.631 121.223 0.009 0.000 2.259 251 L HA 0.412 4.752 4.340 0.001 0.000 0.288 251 L C -2.111 174.847 176.870 0.147 0.000 1.051 251 L CA -1.583 53.311 54.840 0.089 0.000 0.824 251 L CB 0.078 42.132 42.059 -0.008 0.000 1.206 251 L HN -0.101 nan 8.230 nan 0.000 0.429 252 P HA 0.138 nan 4.420 nan 0.000 0.277 252 P C -0.685 176.740 177.300 0.209 0.000 1.276 252 P CA -0.562 62.635 63.100 0.162 0.000 0.788 252 P CB 0.944 32.721 31.700 0.128 0.000 1.114 253 E N 0.239 120.515 120.200 0.127 0.000 2.216 253 E HA 0.199 4.549 4.350 0.001 0.000 0.279 253 E C 0.109 176.721 176.600 0.021 0.000 0.997 253 E CA -0.547 55.918 56.400 0.108 0.000 0.817 253 E CB 0.341 30.084 29.700 0.071 0.000 1.096 253 E HN 0.287 nan 8.360 nan 0.000 0.393 254 N N 1.727 120.402 118.700 -0.041 0.000 3.052 254 N HA 0.024 4.765 4.740 0.001 0.000 0.302 254 N C -0.876 174.612 175.510 -0.037 0.000 1.332 254 N CA 0.022 53.022 53.050 -0.084 0.000 1.129 254 N CB 0.377 38.753 38.487 -0.185 0.000 1.436 254 N HN 0.253 nan 8.380 nan 0.000 0.536 255 S N 0.201 115.897 115.700 -0.008 0.000 3.452 255 S HA 0.077 4.548 4.470 0.001 0.000 0.410 255 S C 1.405 176.007 174.600 0.004 0.000 1.076 255 S CA 0.596 58.799 58.200 0.006 0.000 1.538 255 S CB -0.158 63.047 63.200 0.008 0.000 1.006 255 S HN 0.735 nan 8.310 nan 0.000 0.576 256 G N 1.434 110.242 108.800 0.013 0.000 4.197 256 G HA2 -0.139 3.821 3.960 0.001 0.000 0.197 256 G HA3 -0.139 3.821 3.960 0.001 0.000 0.197 256 G C 0.751 175.674 174.900 0.039 0.000 1.033 256 G CA 0.022 45.134 45.100 0.020 0.000 0.876 256 G HN 0.481 nan 8.290 nan 0.000 0.314 257 V N 2.109 122.032 119.914 0.016 0.000 2.660 257 V HA -0.136 3.985 4.120 0.001 0.000 0.257 257 V C 2.787 178.926 176.094 0.075 0.000 1.088 257 V CA 2.390 64.705 62.300 0.024 0.000 1.106 257 V CB -0.561 31.235 31.823 -0.047 0.000 0.686 257 V HN 0.345 nan 8.190 nan 0.000 0.481 258 R N -0.589 119.953 120.500 0.070 0.000 2.066 258 R HA -0.076 4.265 4.340 0.001 0.000 0.224 258 R C 2.389 178.781 176.300 0.153 0.000 1.122 258 R CA 1.247 57.413 56.100 0.109 0.000 0.974 258 R CB -0.277 30.065 30.300 0.070 0.000 0.871 258 R HN 0.582 nan 8.270 nan 0.000 0.435 259 Q N 0.820 120.681 119.800 0.102 0.000 1.965 259 Q HA -0.127 4.213 4.340 0.001 0.000 0.200 259 Q C 2.087 178.145 176.000 0.097 0.000 0.981 259 Q CA 1.635 57.489 55.803 0.085 0.000 0.834 259 Q CB -0.138 28.632 28.738 0.053 0.000 0.900 259 Q HN 0.275 nan 8.270 nan 0.000 0.426 260 A N 0.966 123.843 122.820 0.096 0.000 1.869 260 A HA -0.270 4.050 4.320 0.001 0.000 0.218 260 A C 1.914 179.572 177.584 0.124 0.000 1.203 260 A CA 1.820 53.911 52.037 0.091 0.000 0.638 260 A CB -1.451 17.601 19.000 0.087 0.000 0.831 260 A HN 0.651 nan 8.150 nan 0.000 0.450 261 F N 0.376 120.348 119.950 0.036 0.000 2.024 261 F HA -0.351 4.176 4.527 0.001 0.000 0.296 261 F C 2.534 178.373 175.800 0.064 0.000 1.137 261 F CA 2.785 60.821 58.000 0.060 0.000 1.200 261 F CB -0.996 38.050 39.000 0.077 0.000 0.954 261 F HN 0.417 nan 8.300 nan 0.000 0.497 262 Q N 0.113 119.901 119.800 -0.020 0.000 2.096 262 Q HA -0.271 4.070 4.340 0.001 0.000 0.208 262 Q C 1.884 177.799 176.000 -0.142 0.000 0.993 262 Q CA 2.407 58.129 55.803 -0.135 0.000 0.862 262 Q CB -0.361 28.413 28.738 0.061 0.000 0.915 262 Q HN 0.542 nan 8.270 nan 0.000 0.416 263 D N -0.083 120.280 120.400 -0.062 0.000 2.156 263 D HA -0.258 4.383 4.640 0.001 0.000 0.190 263 D C 1.840 178.090 176.300 -0.084 0.000 0.998 263 D CA 1.823 55.792 54.000 -0.052 0.000 0.842 263 D CB -0.499 40.289 40.800 -0.020 0.000 0.974 263 D HN 0.322 nan 8.370 nan 0.000 0.447 264 M N 0.354 119.898 119.600 -0.094 0.000 2.492 264 M HA -0.319 4.162 4.480 0.001 0.000 0.253 264 M C 1.984 178.219 176.300 -0.109 0.000 1.038 264 M CA 1.953 57.193 55.300 -0.100 0.000 1.046 264 M CB -0.584 31.943 32.600 -0.122 0.000 1.330 264 M HN 0.093 nan 8.290 nan 0.000 0.440 265 E N 0.323 120.435 120.200 -0.148 0.000 2.065 265 E HA -0.118 4.232 4.350 0.001 0.000 0.201 265 E C 1.252 177.806 176.600 -0.076 0.000 1.016 265 E CA 1.085 57.413 56.400 -0.119 0.000 0.818 265 E CB -0.893 28.729 29.700 -0.129 0.000 0.749 265 E HN 0.618 nan 8.360 nan 0.000 0.453 1264 S N -1.014 114.446 115.700 -0.401 0.000 3.070 1264 S HA 0.963 5.434 4.470 0.001 0.000 0.320 1264 S C -0.628 173.812 174.600 -0.266 0.000 1.215 1264 S CA 0.212 58.218 58.200 -0.324 0.000 0.956 1264 S CB 1.875 64.869 63.200 -0.344 0.000 1.337 1264 S HN 1.087 nan 8.310 nan 0.000 0.639 1265 A N 0.626 123.392 122.820 -0.091 0.000 6.075 1265 A HA 0.507 4.827 4.320 0.001 0.000 0.142 1265 A C -1.020 176.712 177.584 0.248 0.000 0.950 1265 A CA -0.427 51.680 52.037 0.117 0.000 1.278 1265 A CB -0.719 18.312 19.000 0.052 0.000 2.412 1265 A HN 0.614 nan 8.150 nan 0.000 1.145 1266 E N 1.240 121.567 120.200 0.211 0.000 2.520 1266 E HA 0.061 4.411 4.350 0.001 0.000 0.201 1266 E C 1.123 177.795 176.600 0.119 0.000 1.122 1266 E CA 0.693 57.195 56.400 0.170 0.000 0.896 1266 E CB -0.159 29.625 29.700 0.141 0.000 0.891 1266 E HN 0.391 nan 8.360 nan 0.000 0.533 1267 S N 0.021 115.797 115.700 0.126 0.000 2.341 1267 S HA -0.094 4.377 4.470 0.001 0.000 0.216 1267 S C 2.167 176.826 174.600 0.099 0.000 1.034 1267 S CA 0.534 58.790 58.200 0.094 0.000 0.964 1267 S CB -0.004 63.248 63.200 0.087 0.000 0.882 1267 S HN 0.125 nan 8.310 nan 0.000 0.469 1268 V N 2.636 122.654 119.914 0.173 0.000 2.324 1268 V HA -0.253 3.868 4.120 0.001 0.000 0.250 1268 V C 2.626 178.729 176.094 0.014 0.000 1.060 1268 V CA 1.845 64.217 62.300 0.119 0.000 1.042 1268 V CB -1.355 30.613 31.823 0.241 0.000 0.650 1268 V HN 0.526 nan 8.190 nan 0.000 0.450 1269 A N 0.474 123.325 122.820 0.053 0.000 1.873 1269 A HA -0.261 4.060 4.320 0.001 0.000 0.215 1269 A C 2.257 179.823 177.584 -0.029 0.000 1.186 1269 A CA 1.900 53.933 52.037 -0.006 0.000 0.616 1269 A CB -0.835 18.188 19.000 0.039 0.000 0.823 1269 A HN 0.581 nan 8.150 nan 0.000 0.442 1270 N N 0.548 119.252 118.700 0.008 0.000 2.061 1270 N HA -0.193 4.547 4.740 0.001 0.000 0.193 1270 N C 1.689 177.179 175.510 -0.032 0.000 1.030 1270 N CA 2.085 55.132 53.050 -0.004 0.000 0.856 1270 N CB -0.302 38.194 38.487 0.016 0.000 1.023 1270 N HN 0.351 nan 8.380 nan 0.000 0.424 1271 I N 1.939 122.487 120.570 -0.036 0.000 2.068 1271 I HA -0.312 3.858 4.170 0.001 0.000 0.238 1271 I C 2.608 178.662 176.117 -0.104 0.000 1.046 1271 I CA 0.965 62.227 61.300 -0.063 0.000 1.306 1271 I CB -1.507 36.457 38.000 -0.061 0.000 1.023 1271 I HN 0.203 nan 8.210 nan 0.000 0.399 1272 L N 0.106 121.240 121.223 -0.148 0.000 1.997 1272 L HA -0.291 4.050 4.340 0.001 0.000 0.216 1272 L C 2.852 179.641 176.870 -0.135 0.000 1.074 1272 L CA 1.736 56.455 54.840 -0.201 0.000 0.763 1272 L CB -0.844 40.969 42.059 -0.410 0.000 0.890 1272 L HN 0.255 nan 8.230 nan 0.000 0.434 1273 R N 0.520 120.952 120.500 -0.114 0.000 2.122 1273 R HA -0.220 4.121 4.340 0.001 0.000 0.236 1273 R C 2.185 178.462 176.300 -0.038 0.000 1.129 1273 R CA 1.824 57.887 56.100 -0.060 0.000 0.925 1273 R CB -0.492 29.785 30.300 -0.038 0.000 0.850 1273 R HN 0.362 nan 8.270 nan 0.000 0.431 1274 K N -0.018 120.356 120.400 -0.043 0.000 2.515 1274 K HA -0.022 4.299 4.320 0.001 0.000 0.196 1274 K C 1.512 178.080 176.600 -0.053 0.000 1.038 1274 K CA 1.012 57.277 56.287 -0.038 0.000 0.967 1274 K CB 0.194 32.672 32.500 -0.037 0.000 0.780 1274 K HN 0.249 nan 8.250 nan 0.000 0.483 1275 T N 0.746 115.256 114.554 -0.074 0.000 3.051 1275 T HA 0.129 4.480 4.350 0.001 0.000 0.255 1275 T C 1.772 176.481 174.700 0.015 0.000 1.085 1275 T CA 0.385 62.402 62.100 -0.138 0.000 1.109 1275 T CB 0.171 68.867 68.868 -0.286 0.000 0.921 1275 T HN 0.097 nan 8.240 nan 0.000 0.488 1276 I N 0.759 121.383 120.570 0.090 0.000 2.364 1276 I HA -0.032 4.138 4.170 0.001 0.000 0.241 1276 I C 2.650 178.809 176.117 0.069 0.000 1.082 1276 I CA 0.825 62.213 61.300 0.146 0.000 1.401 1276 I CB -0.242 37.800 38.000 0.069 0.000 1.126 1276 I HN 0.100 nan 8.210 nan 0.000 0.429 1277 Q N 1.335 121.151 119.800 0.027 0.000 2.234 1277 Q HA -0.223 4.118 4.340 0.001 0.000 0.206 1277 Q C 2.116 178.123 176.000 0.012 0.000 0.980 1277 Q CA 1.605 57.416 55.803 0.013 0.000 0.869 1277 Q CB -0.224 28.515 28.738 0.002 0.000 0.912 1277 Q HN 0.263 nan 8.270 nan 0.000 0.436 1278 R N -0.396 120.110 120.500 0.011 0.000 2.055 1278 R HA -0.117 4.223 4.340 0.001 0.000 0.228 1278 R C 1.802 178.114 176.300 0.020 0.000 1.143 1278 R CA 1.538 57.640 56.100 0.002 0.000 0.945 1278 R CB -0.242 30.046 30.300 -0.022 0.000 0.841 1278 R HN 0.155 nan 8.270 nan 0.000 0.429 1279 E N 0.432 120.664 120.200 0.052 0.000 2.401 1279 E HA -0.194 4.157 4.350 0.001 0.000 0.199 1279 E C 1.721 178.354 176.600 0.056 0.000 1.023 1279 E CA 1.004 57.455 56.400 0.084 0.000 0.859 1279 E CB 0.107 29.941 29.700 0.223 0.000 0.780 1279 E HN 0.418 nan 8.360 nan 0.000 0.523 1280 Q N -0.377 119.447 119.800 0.039 0.000 2.096 1280 Q HA -0.052 4.288 4.340 0.001 0.000 0.197 1280 Q C 1.448 177.448 176.000 -0.001 0.000 0.964 1280 Q CA 1.088 56.897 55.803 0.010 0.000 0.838 1280 Q CB 0.097 28.838 28.738 0.006 0.000 0.906 1280 Q HN 0.236 nan 8.270 nan 0.000 0.444 1281 N N 0.531 119.233 118.700 0.003 0.000 2.396 1281 N HA -0.138 4.602 4.740 0.001 0.000 0.180 1281 N C 1.638 177.148 175.510 -0.001 0.000 1.028 1281 N CA 0.727 53.776 53.050 -0.001 0.000 0.893 1281 N CB -0.156 38.331 38.487 -0.000 0.000 0.967 1281 N HN 0.129 nan 8.380 nan 0.000 0.440 1282 R N 1.770 122.273 120.500 0.005 0.000 2.088 1282 R HA 0.016 4.357 4.340 0.001 0.000 0.232 1282 R C 2.159 178.457 176.300 -0.004 0.000 1.136 1282 R CA 1.256 57.359 56.100 0.006 0.000 0.926 1282 R CB -0.881 29.430 30.300 0.017 0.000 0.837 1282 R HN 0.145 nan 8.270 nan 0.000 0.429 1283 I N 0.406 120.970 120.570 -0.010 0.000 2.127 1283 I HA -0.301 3.869 4.170 0.001 0.000 0.241 1283 I C 2.236 178.336 176.117 -0.029 0.000 1.075 1283 I CA 1.255 62.539 61.300 -0.027 0.000 1.334 1283 I CB -0.565 37.411 38.000 -0.040 0.000 1.040 1283 I HN 0.238 nan 8.210 nan 0.000 0.405 1284 L N 0.867 122.075 121.223 -0.025 0.000 2.040 1284 L HA -0.370 3.971 4.340 0.001 0.000 0.228 1284 L C 2.563 179.424 176.870 -0.015 0.000 1.092 1284 L CA 2.130 56.956 54.840 -0.023 0.000 0.805 1284 L CB -0.800 41.250 42.059 -0.014 0.000 0.905 1284 L HN 0.305 nan 8.230 nan 0.000 0.443 1285 Q N -1.126 118.669 119.800 -0.008 0.000 2.046 1285 Q HA -0.181 4.159 4.340 0.001 0.000 0.200 1285 Q C 2.334 178.331 176.000 -0.004 0.000 0.975 1285 Q CA 1.798 57.600 55.803 -0.002 0.000 0.836 1285 Q CB -0.279 28.460 28.738 0.001 0.000 0.896 1285 Q HN 0.583 nan 8.270 nan 0.000 0.428 1286 L N 0.906 122.122 121.223 -0.012 0.000 2.137 1286 L HA -0.278 4.063 4.340 0.001 0.000 0.213 1286 L C 1.771 178.632 176.870 -0.015 0.000 1.085 1286 L CA 1.165 55.996 54.840 -0.016 0.000 0.760 1286 L CB -0.624 41.418 42.059 -0.029 0.000 0.893 1286 L HN 0.281 nan 8.230 nan 0.000 0.434 1287 N N -0.003 118.685 118.700 -0.020 0.000 2.062 1287 N HA -0.176 4.565 4.740 0.001 0.000 0.191 1287 N C 1.671 177.191 175.510 0.016 0.000 1.042 1287 N CA 0.956 53.997 53.050 -0.015 0.000 0.845 1287 N CB -0.292 38.172 38.487 -0.038 0.000 1.024 1287 N HN 0.297 nan 8.380 nan 0.000 0.424 1288 Q N -0.362 119.449 119.800 0.019 0.000 2.534 1288 Q HA -0.120 4.220 4.340 0.001 0.000 0.218 1288 Q C 1.653 177.674 176.000 0.034 0.000 0.989 1288 Q CA 1.108 56.931 55.803 0.033 0.000 0.903 1288 Q CB -0.308 28.444 28.738 0.024 0.000 0.942 1288 Q HN 0.513 nan 8.270 nan 0.000 0.501 1289 G N 0.352 109.168 108.800 0.028 0.000 2.437 1289 G HA2 -0.015 3.945 3.960 0.001 0.000 0.212 1289 G HA3 -0.015 3.945 3.960 0.001 0.000 0.212 1289 G C 0.774 175.700 174.900 0.042 0.000 1.174 1289 G CA -0.281 44.836 45.100 0.028 0.000 0.811 1289 G HN 0.190 nan 8.290 nan 0.000 0.537 1290 L N 1.485 122.737 121.223 0.050 0.000 2.533 1290 L HA 0.272 4.613 4.340 0.001 0.000 0.239 1290 L C 1.559 178.494 176.870 0.107 0.000 1.376 1290 L CA -0.048 54.838 54.840 0.075 0.000 1.240 1290 L CB 0.361 42.461 42.059 0.069 0.000 1.487 1290 L HN 0.289 nan 8.230 nan 0.000 0.419 1291 Q N -0.053 119.803 119.800 0.094 0.000 2.402 1291 Q HA 0.135 4.476 4.340 0.001 0.000 0.231 1291 Q C 0.482 176.526 176.000 0.074 0.000 0.888 1291 Q CA 0.244 56.112 55.803 0.109 0.000 0.938 1291 Q CB 0.807 29.599 28.738 0.091 0.000 1.086 1291 Q HN 0.557 nan 8.270 nan 0.000 0.543 1292 N N 0.666 119.396 118.700 0.050 0.000 2.538 1292 N HA 0.242 4.982 4.740 0.001 0.000 0.291 1292 N C -0.608 174.904 175.510 0.004 0.000 1.323 1292 N CA 0.072 53.133 53.050 0.018 0.000 0.934 1292 N CB 0.956 39.446 38.487 0.005 0.000 1.255 1292 N HN 0.181 nan 8.380 nan 0.000 0.509 1293 I N 0.789 121.384 120.570 0.041 0.000 2.662 1293 I HA 0.257 4.428 4.170 0.001 0.000 0.291 1293 I C 0.229 176.302 176.117 -0.073 0.000 1.046 1293 I CA -0.291 61.028 61.300 0.032 0.000 1.361 1293 I CB 0.991 39.137 38.000 0.243 0.000 1.429 1293 I HN 0.105 nan 8.210 nan 0.000 0.558 1294 A N 6.801 129.411 122.820 -0.350 0.000 2.855 1294 A HA 0.580 4.900 4.320 0.001 0.000 0.313 1294 A C -1.271 175.998 177.584 -0.525 0.000 1.173 1294 A CA -0.271 51.578 52.037 -0.314 0.000 0.753 1294 A CB -0.023 18.829 19.000 -0.247 0.000 1.200 1294 A HN 0.483 nan 8.150 nan 0.000 0.442 1295 F N 1.545 121.503 119.950 0.012 0.000 2.496 1295 F HA 0.550 5.078 4.527 0.001 0.000 0.341 1295 F C 1.318 177.124 175.800 0.009 0.000 1.134 1295 F CA 0.432 58.440 58.000 0.013 0.000 0.968 1295 F CB 1.929 40.939 39.000 0.016 0.000 1.205 1295 F HN 0.896 nan 8.300 nan 0.000 0.436 1296 G N 2.438 111.320 108.800 0.137 0.000 4.608 1296 G HA2 -0.343 3.618 3.960 0.001 0.000 0.352 1296 G HA3 -0.343 3.618 3.960 0.001 0.000 0.352 1296 G C 0.964 175.898 174.900 0.056 0.000 1.395 1296 G CA 0.941 46.092 45.100 0.085 0.000 1.148 1296 G HN 0.501 nan 8.290 nan 0.000 0.804 1297 Q N -0.365 119.476 119.800 0.068 0.000 2.073 1297 Q HA 0.357 4.698 4.340 0.001 0.000 0.215 1297 Q C 0.102 176.134 176.000 0.053 0.000 0.776 1297 Q CA 0.247 56.075 55.803 0.042 0.000 1.008 1297 Q CB 1.784 30.541 28.738 0.032 0.000 1.196 1297 Q HN 0.486 nan 8.270 nan 0.000 0.458 1298 V N 2.048 122.023 119.914 0.101 0.000 2.368 1298 V HA 0.207 4.328 4.120 0.001 0.000 0.266 1298 V C 0.717 176.883 176.094 0.120 0.000 1.045 1298 V CA 0.028 62.404 62.300 0.127 0.000 0.899 1298 V CB 1.275 33.209 31.823 0.184 0.000 1.006 1298 V HN -0.011 nan 8.190 nan 0.000 0.470 1299 K N 2.922 123.354 120.400 0.053 0.000 2.373 1299 K HA 0.491 4.811 4.320 0.001 0.000 0.202 1299 K C 0.503 177.138 176.600 0.059 0.000 1.025 1299 K CA 0.278 56.576 56.287 0.018 0.000 1.115 1299 K CB 1.000 33.462 32.500 -0.064 0.000 0.858 1299 K HN 0.907 nan 8.250 nan 0.000 0.525 1300 G N -0.849 108.048 108.800 0.162 0.000 2.411 1300 G HA2 0.434 4.395 3.960 0.001 0.000 0.295 1300 G HA3 0.434 4.395 3.960 0.001 0.000 0.295 1300 G C -1.779 173.377 174.900 0.426 0.000 1.542 1300 G CA -0.677 44.613 45.100 0.317 0.000 0.814 1300 G HN -0.122 nan 8.290 nan 0.000 0.557 1301 V N 0.217 120.317 119.914 0.309 0.000 2.962 1301 V HA 0.872 4.992 4.120 0.001 0.000 0.313 1301 V C -0.035 176.043 176.094 -0.027 0.000 1.099 1301 V CA -0.986 61.390 62.300 0.126 0.000 0.971 1301 V CB 2.145 34.002 31.823 0.057 0.000 1.028 1301 V HN 0.979 nan 8.190 nan 0.000 0.430 1302 R N 2.000 122.388 120.500 -0.187 0.000 2.752 1302 R HA 0.670 5.011 4.340 0.001 0.000 0.271 1302 R C -1.887 174.280 176.300 -0.223 0.000 1.026 1302 R CA -0.941 54.992 56.100 -0.278 0.000 0.901 1302 R CB 2.294 32.237 30.300 -0.595 0.000 1.243 1302 R HN 0.516 nan 8.270 nan 0.000 0.463 1303 L N 2.114 123.219 121.223 -0.197 0.000 2.417 1303 L HA 0.352 4.693 4.340 0.001 0.000 0.259 1303 L C -0.606 176.169 176.870 -0.159 0.000 1.023 1303 L CA -0.796 53.950 54.840 -0.157 0.000 0.901 1303 L CB 1.950 43.938 42.059 -0.120 0.000 1.227 1303 L HN 0.316 nan 8.230 nan 0.000 0.454 1304 V N 4.144 123.955 119.914 -0.171 0.000 2.390 1304 V HA 0.010 4.130 4.120 0.001 0.000 0.260 1304 V C 0.559 176.587 176.094 -0.111 0.000 1.043 1304 V CA -0.161 62.049 62.300 -0.151 0.000 1.047 1304 V CB 0.794 32.526 31.823 -0.152 0.000 1.066 1304 V HN 0.347 nan 8.190 nan 0.000 0.481 1305 V N 6.311 126.167 119.914 -0.096 0.000 2.389 1305 V HA 0.321 4.441 4.120 0.001 0.000 0.264 1305 V C 0.294 176.347 176.094 -0.068 0.000 1.049 1305 V CA -0.423 61.829 62.300 -0.080 0.000 0.932 1305 V CB 0.320 32.103 31.823 -0.066 0.000 1.011 1305 V HN 0.818 nan 8.190 nan 0.000 0.475 1306 N N 4.335 122.994 118.700 -0.069 0.000 2.319 1306 N HA 0.573 5.314 4.740 0.001 0.000 0.305 1306 N C -0.688 174.791 175.510 -0.052 0.000 1.103 1306 N CA -0.602 52.416 53.050 -0.054 0.000 0.815 1306 N CB 2.816 41.271 38.487 -0.053 0.000 1.288 1306 N HN 0.485 nan 8.380 nan 0.000 0.493 1307 I N 1.900 122.453 120.570 -0.029 0.000 2.287 1307 I HA 0.207 4.377 4.170 0.001 0.000 0.290 1307 I C 0.922 177.032 176.117 -0.013 0.000 1.069 1307 I CA -0.513 60.782 61.300 -0.010 0.000 1.237 1307 I CB 0.358 38.372 38.000 0.024 0.000 1.418 1307 I HN 0.162 nan 8.210 nan 0.000 0.481 1308 R N 4.503 124.972 120.500 -0.051 0.000 2.505 1308 R HA -0.118 4.223 4.340 0.001 0.000 0.274 1308 R C 0.696 177.012 176.300 0.027 0.000 0.955 1308 R CA 0.126 56.205 56.100 -0.035 0.000 1.109 1308 R CB 0.511 30.752 30.300 -0.098 0.000 0.890 1308 R HN 0.592 nan 8.270 nan 0.000 0.415 1309 D N 2.093 122.506 120.400 0.022 0.000 2.103 1309 D HA -0.184 4.456 4.640 0.001 0.000 0.190 1309 D C 1.584 177.910 176.300 0.043 0.000 0.997 1309 D CA 2.342 56.356 54.000 0.024 0.000 0.833 1309 D CB -0.343 40.461 40.800 0.008 0.000 0.961 1309 D HN 0.627 nan 8.370 nan 0.000 0.447 1310 T N 1.063 115.661 114.554 0.073 0.000 2.469 1310 T HA -0.245 4.106 4.350 0.001 0.000 0.254 1310 T C 1.806 176.497 174.700 -0.015 0.000 1.214 1310 T CA 1.999 64.150 62.100 0.085 0.000 1.202 1310 T CB -1.188 67.782 68.868 0.169 0.000 0.864 1310 T HN 0.245 nan 8.240 nan 0.000 0.408 1311 H N 0.791 119.726 119.070 -0.225 0.000 2.426 1311 H HA 0.008 4.565 4.556 0.001 0.000 0.298 1311 H C 2.664 177.903 175.328 -0.148 0.000 1.107 1311 H CA 1.190 56.975 56.048 -0.439 0.000 1.298 1311 H CB -0.782 28.532 29.762 -0.747 0.000 1.377 1311 H HN 0.417 nan 8.280 nan 0.000 0.519 1312 S N 0.141 115.886 115.700 0.075 0.000 2.359 1312 S HA -0.130 4.341 4.470 0.001 0.000 0.224 1312 S C 2.094 176.727 174.600 0.054 0.000 1.035 1312 S CA 1.211 59.460 58.200 0.080 0.000 1.018 1312 S CB -0.215 63.015 63.200 0.051 0.000 0.876 1312 S HN 0.281 nan 8.310 nan 0.000 0.448 1313 I N 1.755 122.340 120.570 0.024 0.000 2.335 1313 I HA -0.121 4.049 4.170 0.001 0.000 0.251 1313 I C 2.375 178.496 176.117 0.007 0.000 1.129 1313 I CA 0.987 62.295 61.300 0.015 0.000 1.402 1313 I CB -1.469 36.538 38.000 0.012 0.000 1.069 1313 I HN 0.420 nan 8.210 nan 0.000 0.424 1314 L N 0.579 121.794 121.223 -0.015 0.000 2.017 1314 L HA -0.177 4.164 4.340 0.001 0.000 0.208 1314 L C 2.414 179.302 176.870 0.031 0.000 1.073 1314 L CA 1.430 56.256 54.840 -0.023 0.000 0.745 1314 L CB -0.112 41.885 42.059 -0.102 0.000 0.894 1314 L HN 0.135 nan 8.230 nan 0.000 0.432 1315 L N -0.099 121.178 121.223 0.090 0.000 2.456 1315 L HA -0.144 4.197 4.340 0.001 0.000 0.224 1315 L C 2.037 178.932 176.870 0.041 0.000 1.148 1315 L CA 0.437 55.322 54.840 0.074 0.000 0.825 1315 L CB -0.680 41.437 42.059 0.097 0.000 0.937 1315 L HN 0.413 nan 8.230 nan 0.000 0.450 1316 N N 0.246 118.966 118.700 0.034 0.000 2.409 1316 N HA 0.017 4.758 4.740 0.001 0.000 0.174 1316 N C 1.703 177.222 175.510 0.017 0.000 1.037 1316 N CA 0.974 54.038 53.050 0.025 0.000 0.898 1316 N CB 0.509 39.011 38.487 0.023 0.000 1.010 1316 N HN 0.266 nan 8.380 nan 0.000 0.445 1317 A N 0.945 123.770 122.820 0.007 0.000 1.878 1317 A HA 0.139 4.460 4.320 0.001 0.000 0.213 1317 A C 2.217 179.785 177.584 -0.027 0.000 1.192 1317 A CA 0.409 52.440 52.037 -0.010 0.000 0.619 1317 A CB -0.508 18.480 19.000 -0.021 0.000 0.837 1317 A HN 0.233 nan 8.150 nan 0.000 0.446 1318 L N -0.383 120.826 121.223 -0.023 0.000 2.291 1318 L HA -0.090 4.250 4.340 0.001 0.000 0.214 1318 L C 2.778 179.667 176.870 0.032 0.000 1.120 1318 L CA 1.056 55.883 54.840 -0.022 0.000 0.799 1318 L CB -0.307 41.757 42.059 0.008 0.000 0.925 1318 L HN 0.499 nan 8.230 nan 0.000 0.446 1319 S N 0.006 115.724 115.700 0.031 0.000 2.343 1319 S HA -0.184 4.287 4.470 0.001 0.000 0.219 1319 S C 1.375 176.006 174.600 0.052 0.000 1.033 1319 S CA 1.928 60.152 58.200 0.040 0.000 1.014 1319 S CB 0.076 63.294 63.200 0.030 0.000 0.915 1319 S HN 0.459 nan 8.310 nan 0.000 0.435 1320 D N -0.527 119.902 120.400 0.048 0.000 2.502 1320 D HA 0.229 4.869 4.640 0.001 0.000 0.232 1320 D C 0.360 176.702 176.300 0.070 0.000 1.137 1320 D CA 0.063 54.096 54.000 0.056 0.000 0.827 1320 D CB 0.333 41.157 40.800 0.040 0.000 1.141 1320 D HN 0.494 nan 8.370 nan 0.000 0.517 1321 Q N -0.250 119.585 119.800 0.059 0.000 2.194 1321 Q HA 0.647 4.987 4.340 0.001 0.000 0.245 1321 Q C -0.786 175.273 176.000 0.098 0.000 0.993 1321 Q CA -0.508 55.335 55.803 0.066 0.000 0.930 1321 Q CB 2.228 30.984 28.738 0.029 0.000 1.238 1321 Q HN 0.066 nan 8.270 nan 0.000 0.486 1322 H N -0.953 118.140 119.070 0.038 0.000 3.057 1322 H HA 0.288 4.844 4.556 0.001 0.000 0.308 1322 H C -1.783 173.568 175.328 0.039 0.000 1.276 1322 H CA -0.305 55.770 56.048 0.044 0.000 1.325 1322 H CB 1.558 31.346 29.762 0.044 0.000 1.963 1322 H HN 0.612 nan 8.280 nan 0.000 0.524 1323 E N 2.303 122.648 120.200 0.241 0.000 2.472 1323 E HA 0.137 4.488 4.350 0.001 0.000 0.290 1323 E C -1.274 175.418 176.600 0.153 0.000 1.059 1323 E CA -0.740 55.757 56.400 0.162 0.000 0.861 1323 E CB 2.271 32.022 29.700 0.086 0.000 1.213 1323 E HN 0.680 nan 8.360 nan 0.000 0.425 1336 F N 2.261 122.270 119.950 0.099 0.000 2.661 1336 F HA 0.142 4.670 4.527 0.001 0.000 0.298 1336 F C 1.896 177.878 175.800 0.304 0.000 1.137 1336 F CA 0.688 58.818 58.000 0.216 0.000 1.454 1336 F CB -0.593 38.594 39.000 0.311 0.000 1.103 1336 F HN 0.529 nan 8.300 nan 0.000 0.577 1337 S N -0.320 115.556 115.700 0.294 0.000 2.406 1337 S HA -0.150 4.320 4.470 0.001 0.000 0.228 1337 S C 1.980 176.601 174.600 0.036 0.000 1.020 1337 S CA 0.967 59.236 58.200 0.115 0.000 0.965 1337 S CB -0.307 62.997 63.200 0.173 0.000 0.798 1337 S HN 0.482 nan 8.310 nan 0.000 0.488 1338 E N 2.083 122.336 120.200 0.089 0.000 2.028 1338 E HA -0.115 4.235 4.350 0.001 0.000 0.191 1338 E C 2.290 178.925 176.600 0.057 0.000 0.988 1338 E CA 1.144 57.587 56.400 0.071 0.000 0.799 1338 E CB -0.374 29.380 29.700 0.090 0.000 0.755 1338 E HN 0.381 nan 8.360 nan 0.000 0.447 1339 A N 1.941 124.822 122.820 0.103 0.000 1.896 1339 A HA -0.235 4.085 4.320 0.001 0.000 0.220 1339 A C 2.497 180.082 177.584 0.001 0.000 1.206 1339 A CA 1.906 54.010 52.037 0.111 0.000 0.647 1339 A CB -1.046 18.137 19.000 0.304 0.000 0.828 1339 A HN 0.350 nan 8.150 nan 0.000 0.455 1340 L N -1.045 120.098 121.223 -0.135 0.000 1.989 1340 L HA -0.252 4.089 4.340 0.001 0.000 0.211 1340 L C 3.089 179.932 176.870 -0.045 0.000 1.071 1340 L CA 1.258 56.003 54.840 -0.159 0.000 0.749 1340 L CB -0.675 41.222 42.059 -0.269 0.000 0.890 1340 L HN 0.475 nan 8.230 nan 0.000 0.431 1341 A N -0.837 121.975 122.820 -0.014 0.000 2.148 1341 A HA -0.256 4.065 4.320 0.001 0.000 0.222 1341 A C 2.214 179.829 177.584 0.050 0.000 1.161 1341 A CA 1.815 53.879 52.037 0.044 0.000 0.662 1341 A CB -0.340 18.682 19.000 0.036 0.000 0.799 1341 A HN 0.379 nan 8.150 nan 0.000 0.466 1342 M N -1.533 118.087 119.600 0.034 0.000 2.447 1342 M HA 0.196 4.677 4.480 0.001 0.000 0.266 1342 M C 2.025 178.344 176.300 0.032 0.000 1.120 1342 M CA 0.816 56.134 55.300 0.031 0.000 1.166 1342 M CB -1.044 31.577 32.600 0.035 0.000 1.349 1342 M HN 0.385 nan 8.290 nan 0.000 0.463 1343 L N -1.120 120.120 121.223 0.028 0.000 2.191 1343 L HA -0.225 4.116 4.340 0.001 0.000 0.212 1343 L C 2.407 179.319 176.870 0.069 0.000 1.103 1343 L CA 1.002 55.854 54.840 0.021 0.000 0.769 1343 L CB -0.629 41.419 42.059 -0.018 0.000 0.908 1343 L HN 0.205 nan 8.230 nan 0.000 0.438 1344 Y N 0.646 120.887 120.300 -0.098 0.000 2.420 1344 Y HA -0.060 4.491 4.550 0.001 0.000 0.292 1344 Y C 2.059 177.901 175.900 -0.096 0.000 1.119 1344 Y CA 0.752 58.775 58.100 -0.128 0.000 1.229 1344 Y CB -0.072 38.287 38.460 -0.168 0.000 1.026 1344 Y HN -0.001 nan 8.280 nan 0.000 0.554 1345 K N 0.215 120.621 120.400 0.010 0.000 2.569 1345 K HA -0.011 4.310 4.320 0.001 0.000 0.193 1345 K C 1.450 178.022 176.600 -0.047 0.000 1.026 1345 K CA 0.194 56.443 56.287 -0.062 0.000 1.093 1345 K CB 0.241 32.722 32.500 -0.030 0.000 0.849 1345 K HN 0.356 nan 8.250 nan 0.000 0.509 1346 R N -0.010 120.474 120.500 -0.026 0.000 2.125 1346 R HA 0.171 4.512 4.340 0.001 0.000 0.195 1346 R C 0.357 176.639 176.300 -0.030 0.000 1.138 1346 R CA -0.170 55.919 56.100 -0.018 0.000 1.123 1346 R CB 0.268 30.569 30.300 0.001 0.000 1.049 1346 R HN 0.016 nan 8.270 nan 0.000 0.503 1347 I N 3.972 124.531 120.570 -0.018 0.000 2.792 1347 I HA -0.056 4.115 4.170 0.001 0.000 0.284 1347 I C -0.608 175.458 176.117 -0.086 0.000 1.166 1347 I CA 0.311 61.597 61.300 -0.024 0.000 1.375 1347 I CB -1.046 36.973 38.000 0.031 0.000 1.421 1347 I HN 0.126 nan 8.210 nan 0.000 0.544 1348 N N 9.690 128.353 118.700 -0.063 0.000 2.408 1348 N HA 0.378 5.119 4.740 0.001 0.000 0.257 1348 N C -1.484 173.990 175.510 -0.060 0.000 1.064 1348 N CA -0.608 52.399 53.050 -0.071 0.000 0.952 1348 N CB 1.435 39.900 38.487 -0.037 0.000 1.093 1348 N HN 0.521 nan 8.380 nan 0.000 0.490 1349 P HA 0.399 nan 4.420 nan 0.000 0.340 1349 P C 0.217 177.563 177.300 0.077 0.000 1.299 1349 P CA -0.067 62.968 63.100 -0.107 0.000 0.813 1349 P CB 1.578 33.145 31.700 -0.223 0.000 1.911 1350 H N -1.207 117.824 119.070 -0.065 0.000 2.415 1350 H HA 0.267 4.823 4.556 0.001 0.000 0.320 1350 H C 0.300 175.592 175.328 -0.059 0.000 1.253 1350 H CA -0.605 55.413 56.048 -0.050 0.000 1.883 1350 H CB -0.522 29.219 29.762 -0.034 0.000 1.527 1350 H HN 0.026 nan 8.280 nan 0.000 0.633 1351 I N 2.099 122.725 120.570 0.092 0.000 2.821 1351 I HA -0.099 4.072 4.170 0.001 0.000 0.294 1351 I C 0.057 176.148 176.117 -0.042 0.000 1.210 1351 I CA 1.040 62.349 61.300 0.014 0.000 1.430 1351 I CB -0.051 37.952 38.000 0.006 0.000 1.356 1351 I HN 0.409 nan 8.210 nan 0.000 0.563 1352 E N 5.742 125.917 120.200 -0.041 0.000 2.361 1352 E HA 0.404 4.755 4.350 0.001 0.000 0.270 1352 E C -1.232 175.339 176.600 -0.048 0.000 0.911 1352 E CA -0.639 55.720 56.400 -0.068 0.000 0.818 1352 E CB 0.875 30.533 29.700 -0.070 0.000 1.332 1352 E HN 0.311 nan 8.360 nan 0.000 0.402 1357 M N 3.625 123.235 119.600 0.017 0.000 2.219 1357 M HA 0.166 4.647 4.480 0.001 0.000 0.353 1357 M C -1.504 174.814 176.300 0.029 0.000 1.304 1357 M CA -2.221 53.093 55.300 0.023 0.000 1.115 1357 M CB 0.298 32.913 32.600 0.025 0.000 1.664 1357 M HN 0.471 nan 8.290 nan 0.000 0.459 1358 P HA -0.206 nan 4.420 nan 0.000 0.218 1358 P C 0.979 178.307 177.300 0.047 0.000 1.148 1358 P CA 1.469 64.592 63.100 0.039 0.000 0.822 1358 P CB 0.199 31.924 31.700 0.042 0.000 0.784 1359 Q N -0.816 119.015 119.800 0.052 0.000 2.356 1359 Q HA 0.034 4.374 4.340 0.001 0.000 0.205 1359 Q C 1.323 177.357 176.000 0.056 0.000 0.901 1359 Q CA 0.641 56.483 55.803 0.065 0.000 0.938 1359 Q CB -0.022 28.760 28.738 0.073 0.000 1.081 1359 Q HN 0.110 nan 8.270 nan 0.000 0.517 1360 T N 0.221 114.801 114.554 0.043 0.000 3.035 1360 T HA 0.106 4.456 4.350 0.001 0.000 0.259 1360 T C 1.626 176.347 174.700 0.036 0.000 1.078 1360 T CA 0.353 62.476 62.100 0.039 0.000 1.132 1360 T CB 0.181 69.068 68.868 0.033 0.000 0.900 1360 T HN 0.217 nan 8.240 nan 0.000 0.480 1361 I N 1.331 121.922 120.570 0.036 0.000 2.206 1361 I HA 0.025 4.196 4.170 0.001 0.000 0.239 1361 I C 2.971 179.092 176.117 0.007 0.000 1.078 1361 I CA 1.168 62.490 61.300 0.037 0.000 1.367 1361 I CB -0.773 37.259 38.000 0.052 0.000 1.078 1361 I HN 0.280 nan 8.210 nan 0.000 0.413 1362 G N 0.286 109.086 108.800 0.000 0.000 2.442 1362 G HA2 -0.300 3.660 3.960 0.001 0.000 0.219 1362 G HA3 -0.300 3.660 3.960 0.001 0.000 0.219 1362 G C 1.532 176.409 174.900 -0.039 0.000 1.141 1362 G CA 0.879 45.953 45.100 -0.043 0.000 0.763 1362 G HN 0.460 nan 8.290 nan 0.000 0.554 1363 E N 0.410 120.617 120.200 0.012 0.000 2.085 1363 E HA -0.155 4.195 4.350 0.001 0.000 0.194 1363 E C 2.202 178.809 176.600 0.012 0.000 0.994 1363 E CA 1.092 57.505 56.400 0.021 0.000 0.801 1363 E CB -0.126 29.602 29.700 0.045 0.000 0.743 1363 E HN 0.587 nan 8.360 nan 0.000 0.453 1364 E N -0.186 120.024 120.200 0.016 0.000 2.347 1364 E HA -0.066 4.284 4.350 0.001 0.000 0.196 1364 E C 1.243 177.866 176.600 0.037 0.000 1.008 1364 E CA 0.350 56.768 56.400 0.029 0.000 0.852 1364 E CB 0.197 29.917 29.700 0.033 0.000 0.783 1364 E HN 0.364 nan 8.360 nan 0.000 0.505 1365 L N 0.836 122.058 121.223 -0.001 0.000 2.848 1365 L HA 0.207 4.548 4.340 0.001 0.000 0.240 1365 L C 1.085 178.014 176.870 0.098 0.000 1.232 1365 L CA 0.056 54.932 54.840 0.059 0.000 1.031 1365 L CB 0.260 42.240 42.059 -0.133 0.000 1.338 1365 L HN 0.077 nan 8.230 nan 0.000 0.509 1366 L N -1.471 119.760 121.223 0.013 0.000 3.086 1366 L HA 0.255 4.595 4.340 0.001 0.000 0.274 1366 L C 0.008 176.871 176.870 -0.011 0.000 1.184 1366 L CA 0.058 54.832 54.840 -0.109 0.000 1.002 1366 L CB 0.738 42.648 42.059 -0.249 0.000 1.383 1366 L HN 0.017 nan 8.230 nan 0.000 0.582 1367 D N 0.069 120.521 120.400 0.088 0.000 2.500 1367 D HA 0.057 4.698 4.640 0.001 0.000 0.219 1367 D C 1.264 177.690 176.300 0.210 0.000 1.137 1367 D CA -0.523 53.564 54.000 0.144 0.000 0.946 1367 D CB 0.528 41.386 40.800 0.097 0.000 1.022 1367 D HN 0.203 nan 8.370 nan 0.000 0.518 1368 Y N 4.378 124.643 120.300 -0.057 0.000 2.215 1368 Y HA -0.367 4.183 4.550 0.001 0.000 0.282 1368 Y C 1.841 177.752 175.900 0.018 0.000 1.207 1368 Y CA 1.975 60.002 58.100 -0.123 0.000 1.196 1368 Y CB -0.830 37.531 38.460 -0.165 0.000 0.969 1368 Y HN 0.370 nan 8.280 nan 0.000 0.528 1369 R N 0.272 120.390 120.500 -0.637 0.000 2.120 1369 R HA -0.155 4.185 4.340 0.001 0.000 0.234 1369 R C 1.575 177.715 176.300 -0.266 0.000 1.123 1369 R CA 1.592 57.305 56.100 -0.645 0.000 0.975 1369 R CB -0.926 29.107 30.300 -0.446 0.000 0.866 1369 R HN 0.389 nan 8.270 nan 0.000 0.446 1370 N N 0.026 118.665 118.700 -0.101 0.000 2.550 1370 N HA -0.091 4.650 4.740 0.001 0.000 0.186 1370 N C 0.761 176.055 175.510 -0.360 0.000 1.110 1370 N CA 0.776 53.745 53.050 -0.135 0.000 0.912 1370 N CB -0.002 38.478 38.487 -0.012 0.000 0.968 1370 N HN 0.313 nan 8.380 nan 0.000 0.448 1371 Y N 0.393 120.482 120.300 -0.352 0.000 2.365 1371 Y HA 0.097 4.647 4.550 0.001 0.000 0.293 1371 Y C 0.657 176.333 175.900 -0.374 0.000 1.119 1371 Y CA 0.291 58.168 58.100 -0.371 0.000 1.203 1371 Y CB 0.228 38.611 38.460 -0.129 0.000 1.026 1371 Y HN -0.094 nan 8.280 nan 0.000 0.549 1372 L N -0.337 120.784 121.223 -0.170 0.000 2.387 1372 L HA 0.334 4.675 4.340 0.001 0.000 0.266 1372 L C -0.783 175.971 176.870 -0.193 0.000 1.059 1372 L CA -0.427 54.312 54.840 -0.168 0.000 0.801 1372 L CB 0.999 42.956 42.059 -0.170 0.000 1.223 1372 L HN -0.161 nan 8.230 nan 0.000 0.456 1373 D N 0.298 120.611 120.400 -0.146 0.000 2.479 1373 D HA 0.467 5.107 4.640 0.001 0.000 0.246 1373 D C -1.002 175.237 176.300 -0.101 0.000 1.336 1373 D CA -0.305 53.620 54.000 -0.125 0.000 0.967 1373 D CB 0.790 41.521 40.800 -0.114 0.000 1.275 1373 D HN 0.297 nan 8.370 nan 0.000 0.577 1374 L N 1.944 123.108 121.223 -0.099 0.000 2.466 1374 L HA 0.568 4.908 4.340 0.001 0.000 0.257 1374 L C 0.382 177.201 176.870 -0.085 0.000 1.189 1374 L CA -0.387 54.398 54.840 -0.093 0.000 0.813 1374 L CB 0.901 42.904 42.059 -0.093 0.000 1.118 1374 L HN 0.411 nan 8.230 nan 0.000 0.471 1375 E N -0.012 120.132 120.200 -0.093 0.000 2.354 1375 E HA 0.401 4.752 4.350 0.001 0.000 0.283 1375 E C -1.866 174.671 176.600 -0.106 0.000 0.938 1375 E CA -0.554 55.792 56.400 -0.089 0.000 0.777 1375 E CB 2.646 32.297 29.700 -0.082 0.000 1.222 1375 E HN 0.251 nan 8.360 nan 0.000 0.423 1376 V N 3.271 123.127 119.914 -0.097 0.000 2.394 1376 V HA 0.416 4.536 4.120 0.001 0.000 0.282 1376 V C -0.351 175.688 176.094 -0.092 0.000 1.031 1376 V CA -0.437 61.800 62.300 -0.105 0.000 0.881 1376 V CB 1.470 33.236 31.823 -0.095 0.000 0.982 1376 V HN 0.653 nan 8.190 nan 0.000 0.451 1377 E N 2.056 122.180 120.200 -0.126 0.000 2.266 1377 E HA 0.621 4.972 4.350 0.001 0.000 0.268 1377 E C -0.535 176.068 176.600 0.005 0.000 0.879 1377 E CA -0.614 55.735 56.400 -0.086 0.000 0.762 1377 E CB 2.458 32.046 29.700 -0.187 0.000 1.199 1377 E HN 0.845 nan 8.360 nan 0.000 0.422 1378 T N -0.362 114.291 114.554 0.165 0.000 2.950 1378 T HA 0.641 4.991 4.350 0.001 0.000 0.288 1378 T C -0.577 174.425 174.700 0.504 0.000 1.035 1378 T CA -0.874 61.403 62.100 0.295 0.000 1.028 1378 T CB 1.176 70.141 68.868 0.160 0.000 1.109 1378 T HN 0.221 nan 8.240 nan 0.000 0.514 1379 L N 0.340 121.796 121.223 0.388 0.000 2.334 1379 L HA 0.823 5.163 4.340 0.001 0.000 0.270 1379 L C -0.285 176.591 176.870 0.011 0.000 1.018 1379 L CA -0.604 54.266 54.840 0.050 0.000 0.811 1379 L CB 1.363 43.206 42.059 -0.358 0.000 1.271 1379 L HN 0.857 nan 8.230 nan 0.000 0.443 1380 R N 1.283 121.746 120.500 -0.062 0.000 2.692 1380 R HA 0.351 4.692 4.340 0.001 0.000 0.269 1380 R C 0.430 176.697 176.300 -0.055 0.000 1.030 1380 R CA -0.265 55.821 56.100 -0.022 0.000 0.882 1380 R CB 1.325 31.645 30.300 0.032 0.000 1.250 1380 R HN 0.800 nan 8.270 nan 0.000 0.465 1381 G N 0.680 109.460 108.800 -0.034 0.000 2.471 1381 G HA2 -0.105 3.856 3.960 0.001 0.000 0.219 1381 G HA3 -0.105 3.856 3.960 0.001 0.000 0.219 1381 G C 0.831 175.727 174.900 -0.007 0.000 1.125 1381 G CA 1.037 46.115 45.100 -0.037 0.000 0.775 1381 G HN 0.632 nan 8.290 nan 0.000 0.548 1382 A N 0.221 123.058 122.820 0.028 0.000 2.847 1382 A HA 0.267 4.587 4.320 0.001 0.000 0.194 1382 A C 1.462 179.138 177.584 0.153 0.000 1.893 1382 A CA 0.523 52.615 52.037 0.091 0.000 0.983 1382 A CB -0.634 18.417 19.000 0.084 0.000 1.762 1382 A HN 0.200 nan 8.150 nan 0.000 0.802 1383 Y N 0.661 120.955 120.300 -0.010 0.000 2.680 1383 Y HA 0.161 4.712 4.550 0.001 0.000 0.303 1383 Y C 2.044 177.942 175.900 -0.004 0.000 1.166 1383 Y CA 0.645 58.745 58.100 0.001 0.000 1.344 1383 Y CB -0.981 37.493 38.460 0.024 0.000 1.002 1383 Y HN 0.909 nan 8.280 nan 0.000 0.537 1384 G N -0.135 108.712 108.800 0.078 0.000 2.686 1384 G HA2 -0.387 3.574 3.960 0.001 0.000 0.329 1384 G HA3 -0.387 3.574 3.960 0.001 0.000 0.329 1384 G C 0.313 175.280 174.900 0.113 0.000 1.187 1384 G CA 0.234 45.302 45.100 -0.053 0.000 0.965 1384 G HN 0.496 nan 8.290 nan 0.000 0.549 1385 W N 1.889 123.212 121.300 0.038 0.000 2.812 1385 W HA 0.530 5.190 4.660 0.001 0.000 0.376 1385 W C 0.748 177.298 176.519 0.052 0.000 1.309 1385 W CA -0.507 56.857 57.345 0.032 0.000 1.479 1385 W CB -0.087 29.381 29.460 0.013 0.000 1.595 1385 W HN 0.161 nan 8.180 nan 0.000 0.508 1386 M N 3.048 122.854 119.600 0.344 0.000 2.518 1386 M HA 0.301 4.781 4.480 0.001 0.000 0.300 1386 M C 0.129 176.502 176.300 0.122 0.000 1.175 1386 M CA -1.232 54.186 55.300 0.196 0.000 0.890 1386 M CB 2.387 35.084 32.600 0.161 0.000 1.710 1386 M HN 0.271 nan 8.290 nan 0.000 0.453 1387 R N 1.710 122.248 120.500 0.063 0.000 2.502 1387 R HA 0.334 4.675 4.340 0.001 0.000 0.292 1387 R C -0.153 176.161 176.300 0.023 0.000 0.998 1387 R CA 0.138 56.249 56.100 0.018 0.000 1.056 1387 R CB 0.488 30.790 30.300 0.002 0.000 0.939 1387 R HN 0.837 nan 8.270 nan 0.000 0.411 1388 A N 3.839 126.664 122.820 0.008 0.000 2.536 1388 A HA 0.005 4.325 4.320 0.001 0.000 0.234 1388 A C -0.188 177.393 177.584 -0.005 0.000 1.076 1388 A CA 0.373 52.413 52.037 0.006 0.000 0.769 1388 A CB 0.295 19.284 19.000 -0.018 0.000 1.020 1388 A HN 0.820 nan 8.150 nan 0.000 0.508 1389 E N 0.101 120.298 120.200 -0.006 0.000 2.428 1389 E HA 0.320 4.671 4.350 0.001 0.000 0.307 1389 E C 0.392 176.984 176.600 -0.013 0.000 0.902 1389 E CA 0.288 56.682 56.400 -0.011 0.000 0.799 1389 E CB 1.194 30.892 29.700 -0.004 0.000 1.351 1389 E HN 0.534 nan 8.360 nan 0.000 0.392 1390 S N 1.991 117.678 115.700 -0.020 0.000 2.368 1390 S HA -0.186 4.284 4.470 0.001 0.000 0.226 1390 S C 1.388 175.980 174.600 -0.014 0.000 1.044 1390 S CA 2.198 60.385 58.200 -0.021 0.000 1.062 1390 S CB -0.155 63.031 63.200 -0.023 0.000 0.931 1390 S HN 0.530 nan 8.310 nan 0.000 0.440 1391 S N 0.540 116.233 115.700 -0.012 0.000 2.584 1391 S HA 0.171 4.642 4.470 0.001 0.000 0.240 1391 S C 1.310 175.906 174.600 -0.008 0.000 0.975 1391 S CA 0.634 58.828 58.200 -0.010 0.000 0.949 1391 S CB -0.281 62.913 63.200 -0.010 0.000 0.761 1391 S HN 0.642 nan 8.310 nan 0.000 0.536 1392 A N 0.739 123.556 122.820 -0.005 0.000 2.042 1392 A HA 0.446 4.766 4.320 0.001 0.000 0.207 1392 A C 0.551 178.137 177.584 0.003 0.000 1.598 1392 A CA -0.222 51.814 52.037 -0.001 0.000 0.818 1392 A CB -0.192 18.810 19.000 0.004 0.000 1.169 1392 A HN 0.355 nan 8.150 nan 0.000 0.548 1393 L N 2.049 123.274 121.223 0.004 0.000 2.461 1393 L HA 0.268 4.608 4.340 0.001 0.000 0.272 1393 L C 1.064 177.936 176.870 0.004 0.000 1.197 1393 L CA -0.174 54.671 54.840 0.008 0.000 0.836 1393 L CB 0.519 42.579 42.059 0.002 0.000 1.105 1393 L HN 0.536 nan 8.230 nan 0.000 0.477 1394 S N 0.545 116.252 115.700 0.012 0.000 2.634 1394 S HA 0.129 4.599 4.470 0.001 0.000 0.261 1394 S C 1.178 175.782 174.600 0.007 0.000 1.271 1394 S CA -0.179 58.028 58.200 0.011 0.000 0.985 1394 S CB 1.235 64.447 63.200 0.021 0.000 0.968 1394 S HN 0.664 nan 8.310 nan 0.000 0.568 1395 T N 1.657 116.216 114.554 0.008 0.000 2.620 1395 T HA -0.136 4.215 4.350 0.001 0.000 0.267 1395 T C 1.933 176.636 174.700 0.006 0.000 1.044 1395 T CA 2.169 64.272 62.100 0.005 0.000 1.161 1395 T CB -1.424 67.451 68.868 0.011 0.000 0.862 1395 T HN 0.877 nan 8.240 nan 0.000 0.438 1396 G N 1.173 109.991 108.800 0.029 0.000 2.484 1396 G HA2 -0.210 3.751 3.960 0.001 0.000 0.215 1396 G HA3 -0.210 3.751 3.960 0.001 0.000 0.215 1396 G C 1.394 176.305 174.900 0.018 0.000 1.219 1396 G CA 0.990 46.123 45.100 0.055 0.000 0.791 1396 G HN 0.596 nan 8.290 nan 0.000 0.550 1397 E N 0.865 121.090 120.200 0.042 0.000 2.086 1397 E HA -0.263 4.088 4.350 0.001 0.000 0.205 1397 E C 2.900 179.441 176.600 -0.099 0.000 1.027 1397 E CA 1.046 57.455 56.400 0.013 0.000 0.830 1397 E CB -0.391 29.333 29.700 0.040 0.000 0.751 1397 E HN 0.396 nan 8.360 nan 0.000 0.456 1398 A N 1.890 124.669 122.820 -0.069 0.000 1.859 1398 A HA -0.259 4.062 4.320 0.001 0.000 0.218 1398 A C 2.244 179.736 177.584 -0.152 0.000 1.209 1398 A CA 2.009 53.993 52.037 -0.089 0.000 0.639 1398 A CB -0.791 18.177 19.000 -0.053 0.000 0.835 1398 A HN 0.177 nan 8.150 nan 0.000 0.450 1399 I N -0.039 120.442 120.570 -0.149 0.000 2.151 1399 I HA -0.237 3.934 4.170 0.001 0.000 0.243 1399 I C 2.747 178.643 176.117 -0.368 0.000 1.080 1399 I CA 1.700 62.891 61.300 -0.182 0.000 1.339 1399 I CB -2.316 35.620 38.000 -0.107 0.000 1.039 1399 I HN 0.385 nan 8.210 nan 0.000 0.409 1400 G N 0.828 109.225 108.800 -0.672 0.000 2.491 1400 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 1400 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 1400 G C 1.676 176.054 174.900 -0.871 0.000 1.180 1400 G CA 1.754 45.882 45.100 -1.620 0.000 0.774 1400 G HN 0.386 nan 8.290 nan 0.000 0.562 1401 T N 1.030 115.294 114.554 -0.484 0.000 2.668 1401 T HA -0.013 4.337 4.350 0.001 0.000 0.262 1401 T C 2.528 177.104 174.700 -0.207 0.000 1.045 1401 T CA 1.513 63.469 62.100 -0.240 0.000 1.152 1401 T CB -0.940 67.847 68.868 -0.134 0.000 0.864 1401 T HN 0.373 nan 8.240 nan 0.000 0.419 1402 G N 1.458 110.138 108.800 -0.199 0.000 2.574 1402 G HA2 -0.338 3.622 3.960 0.001 0.000 0.220 1402 G HA3 -0.338 3.622 3.960 0.001 0.000 0.220 1402 G C 1.593 176.387 174.900 -0.175 0.000 1.173 1402 G CA 1.590 46.589 45.100 -0.167 0.000 0.772 1402 G HN 0.380 nan 8.290 nan 0.000 0.585 1403 M N 1.109 120.590 119.600 -0.199 0.000 2.108 1403 M HA -0.066 4.415 4.480 0.001 0.000 0.261 1403 M C 2.766 178.982 176.300 -0.139 0.000 1.066 1403 M CA 1.916 57.116 55.300 -0.167 0.000 1.107 1403 M CB -0.217 32.282 32.600 -0.168 0.000 1.356 1403 M HN 0.219 nan 8.290 nan 0.000 0.406 1404 S N 0.567 116.183 115.700 -0.140 0.000 2.351 1404 S HA -0.181 4.290 4.470 0.001 0.000 0.220 1404 S C 1.848 176.387 174.600 -0.102 0.000 1.035 1404 S CA 1.937 60.086 58.200 -0.086 0.000 1.031 1404 S CB -0.812 62.352 63.200 -0.061 0.000 0.928 1404 S HN 0.581 nan 8.310 nan 0.000 0.433 1405 I N 1.278 121.773 120.570 -0.125 0.000 2.185 1405 I HA -0.229 3.942 4.170 0.001 0.000 0.246 1405 I C 2.045 178.058 176.117 -0.175 0.000 1.088 1405 I CA 1.037 62.248 61.300 -0.147 0.000 1.347 1405 I CB -0.615 37.287 38.000 -0.163 0.000 1.041 1405 I HN 0.184 nan 8.210 nan 0.000 0.415 1406 L N 0.258 121.374 121.223 -0.177 0.000 2.189 1406 L HA -0.207 4.134 4.340 0.001 0.000 0.214 1406 L C 2.359 179.134 176.870 -0.158 0.000 1.097 1406 L CA 1.698 56.425 54.840 -0.188 0.000 0.764 1406 L CB -0.688 41.268 42.059 -0.172 0.000 0.900 1406 L HN 0.246 nan 8.230 nan 0.000 0.436 1407 L N -2.147 119.001 121.223 -0.124 0.000 2.109 1407 L HA -0.173 4.168 4.340 0.001 0.000 0.207 1407 L C 2.473 179.286 176.870 -0.096 0.000 1.086 1407 L CA 0.592 55.379 54.840 -0.090 0.000 0.760 1407 L CB -0.557 41.464 42.059 -0.064 0.000 0.910 1407 L HN 0.265 nan 8.230 nan 0.000 0.437 1408 M N -0.297 119.230 119.600 -0.121 0.000 2.108 1408 M HA -0.142 4.338 4.480 0.001 0.000 0.261 1408 M C 2.404 178.589 176.300 -0.192 0.000 1.066 1408 M CA 1.468 56.691 55.300 -0.130 0.000 1.107 1408 M CB -1.248 31.268 32.600 -0.138 0.000 1.356 1408 M HN 0.088 nan 8.290 nan 0.000 0.406 1409 V N 0.198 119.942 119.914 -0.285 0.000 2.214 1409 V HA -0.252 3.869 4.120 0.001 0.000 0.244 1409 V C 2.684 178.528 176.094 -0.416 0.000 1.045 1409 V CA 2.030 64.005 62.300 -0.542 0.000 0.993 1409 V CB -1.232 30.220 31.823 -0.617 0.000 0.633 1409 V HN 0.226 nan 8.190 nan 0.000 0.449 1410 V N -0.363 119.479 119.914 -0.119 0.000 2.252 1410 V HA -0.382 3.738 4.120 0.001 0.000 0.249 1410 V C 2.515 178.690 176.094 0.134 0.000 1.056 1410 V CA 2.444 64.845 62.300 0.169 0.000 1.022 1410 V CB -0.951 30.942 31.823 0.118 0.000 0.641 1410 V HN 0.582 nan 8.190 nan 0.000 0.445 1411 Q N -0.355 119.464 119.800 0.031 0.000 2.014 1411 Q HA -0.260 4.081 4.340 0.001 0.000 0.207 1411 Q C 2.604 178.635 176.000 0.052 0.000 0.993 1411 Q CA 2.247 58.071 55.803 0.034 0.000 0.850 1411 Q CB -0.449 28.286 28.738 -0.004 0.000 0.916 1411 Q HN 0.614 nan 8.270 nan 0.000 0.417 1412 S N -0.419 115.280 115.700 -0.003 0.000 2.359 1412 S HA -0.170 4.301 4.470 0.001 0.000 0.224 1412 S C 1.467 176.145 174.600 0.129 0.000 1.035 1412 S CA 1.030 59.235 58.200 0.008 0.000 1.018 1412 S CB -0.230 62.917 63.200 -0.089 0.000 0.876 1412 S HN 0.427 nan 8.310 nan 0.000 0.448 1413 W N 1.924 123.249 121.300 0.043 0.000 2.332 1413 W HA -0.072 4.589 4.660 0.001 0.000 0.321 1413 W C 2.475 179.023 176.519 0.048 0.000 1.219 1413 W CA 1.127 58.497 57.345 0.042 0.000 1.277 1413 W CB -1.555 27.938 29.460 0.056 0.000 1.161 1413 W HN 0.525 nan 8.180 nan 0.000 0.476 1414 E N 0.121 120.509 120.200 0.313 0.000 2.082 1414 E HA -0.325 4.026 4.350 0.001 0.000 0.215 1414 E C 2.068 178.761 176.600 0.156 0.000 1.048 1414 E CA 2.218 58.738 56.400 0.199 0.000 0.869 1414 E CB -0.491 29.293 29.700 0.140 0.000 0.773 1414 E HN 0.017 nan 8.360 nan 0.000 0.466 1415 E N 0.552 120.828 120.200 0.126 0.000 2.153 1415 E HA -0.232 4.118 4.350 0.001 0.000 0.194 1415 E C 1.844 178.506 176.600 0.103 0.000 0.988 1415 E CA 1.163 57.617 56.400 0.092 0.000 0.811 1415 E CB -0.196 29.543 29.700 0.066 0.000 0.746 1415 E HN 0.439 nan 8.360 nan 0.000 0.466 1416 E N -0.378 119.906 120.200 0.139 0.000 2.396 1416 E HA -0.109 4.242 4.350 0.001 0.000 0.200 1416 E C 0.307 176.973 176.600 0.110 0.000 1.023 1416 E CA 0.847 57.328 56.400 0.134 0.000 0.857 1416 E CB 0.136 29.962 29.700 0.209 0.000 0.775 1416 E HN -0.048 nan 8.360 nan 0.000 0.525 1417 S N -0.850 114.931 115.700 0.134 0.000 3.021 1417 S HA 0.246 4.717 4.470 0.001 0.000 0.252 1417 S C 0.456 175.155 174.600 0.165 0.000 0.996 1417 S CA -0.587 57.714 58.200 0.168 0.000 1.084 1417 S CB 0.446 63.796 63.200 0.250 0.000 1.021 1417 S HN 0.182 nan 8.310 nan 0.000 0.566 1418 R N 1.133 121.690 120.500 0.094 0.000 2.285 1418 R HA 0.121 4.462 4.340 0.001 0.000 0.213 1418 R C 1.960 178.277 176.300 0.029 0.000 1.068 1418 R CA 0.565 56.692 56.100 0.045 0.000 1.004 1418 R CB -0.046 30.272 30.300 0.030 0.000 0.873 1418 R HN 0.130 nan 8.270 nan 0.000 0.467 1419 R N 0.391 120.920 120.500 0.048 0.000 2.061 1419 R HA 0.052 4.392 4.340 0.001 0.000 0.230 1419 R C 1.063 177.384 176.300 0.036 0.000 1.140 1419 R CA 1.047 57.167 56.100 0.034 0.000 0.940 1419 R CB -0.070 30.251 30.300 0.035 0.000 0.839 1419 R HN 0.123 nan 8.270 nan 0.000 0.429 1420 M N 1.581 121.230 119.600 0.081 0.000 3.654 1420 M HA 0.247 4.728 4.480 0.001 0.000 0.212 1420 M C -0.119 176.209 176.300 0.047 0.000 1.354 1420 M CA 0.106 55.462 55.300 0.094 0.000 1.564 1420 M CB -0.482 32.212 32.600 0.157 0.000 1.056 1420 M HN 0.014 nan 8.290 nan 0.000 0.608 1421 R N 0.067 120.529 120.500 -0.064 0.000 2.664 1421 R HA 0.558 4.899 4.340 0.001 0.000 0.260 1421 R C -1.437 174.775 176.300 -0.147 0.000 1.062 1421 R CA -0.323 55.648 56.100 -0.214 0.000 0.902 1421 R CB 1.508 31.593 30.300 -0.358 0.000 1.258 1421 R HN 0.363 nan 8.270 nan 0.000 0.465 1422 A N 3.104 125.826 122.820 -0.165 0.000 2.567 1422 A HA 0.056 4.376 4.320 0.001 0.000 0.240 1422 A C 0.707 178.234 177.584 -0.095 0.000 1.053 1422 A CA 0.436 52.404 52.037 -0.114 0.000 0.755 1422 A CB 0.241 19.169 19.000 -0.120 0.000 0.978 1422 A HN 0.794 nan 8.150 nan 0.000 0.507 1423 K N 0.944 121.305 120.400 -0.065 0.000 2.442 1423 K HA -0.111 4.210 4.320 0.001 0.000 0.198 1423 K C 0.757 177.328 176.600 -0.048 0.000 1.042 1423 K CA 1.272 57.530 56.287 -0.049 0.000 0.958 1423 K CB 0.104 32.583 32.500 -0.034 0.000 0.766 1423 K HN 0.919 nan 8.250 nan 0.000 0.474 1424 D N 0.145 120.511 120.400 -0.057 0.000 2.333 1424 D HA -0.064 4.576 4.640 0.001 0.000 0.208 1424 D C 0.650 176.914 176.300 -0.059 0.000 0.984 1424 D CA 0.285 54.254 54.000 -0.051 0.000 0.873 1424 D CB 0.273 41.044 40.800 -0.049 0.000 0.935 1424 D HN -0.034 nan 8.370 nan 0.000 0.521 1425 I N 1.308 121.830 120.570 -0.081 0.000 2.428 1425 I HA 0.300 4.471 4.170 0.001 0.000 0.296 1425 I C 0.120 176.189 176.117 -0.081 0.000 0.985 1425 I CA -0.860 60.384 61.300 -0.093 0.000 1.260 1425 I CB 1.794 39.710 38.000 -0.141 0.000 1.389 1425 I HN -0.064 nan 8.210 nan 0.000 0.484 1426 L N 7.434 128.620 121.223 -0.062 0.000 2.401 1426 L HA 0.323 4.664 4.340 0.001 0.000 0.263 1426 L C -2.099 174.755 176.870 -0.026 0.000 1.004 1426 L CA -1.689 53.130 54.840 -0.036 0.000 0.881 1426 L CB 1.527 43.575 42.059 -0.018 0.000 1.219 1426 L HN 0.355 nan 8.230 nan 0.000 0.441 1427 P HA -0.157 nan 4.420 nan 0.000 0.268 1427 P C -0.494 176.833 177.300 0.045 0.000 1.171 1427 P CA 0.044 63.144 63.100 0.001 0.000 0.761 1427 P CB 0.477 32.200 31.700 0.038 0.000 0.786 1428 C N 3.908 123.260 119.300 0.086 0.000 2.435 1428 C HA 0.411 4.871 4.460 0.001 0.000 0.375 1428 C C 1.109 176.194 174.990 0.158 0.000 1.281 1428 C CA -0.407 58.708 59.018 0.163 0.000 1.963 1428 C CB -0.381 27.553 27.740 0.324 0.000 2.490 1428 C HN 0.501 nan 8.230 nan 0.000 0.557 1429 R N 2.292 122.829 120.500 0.061 0.000 2.562 1429 R HA 0.874 5.215 4.340 0.001 0.000 0.298 1429 R C -1.084 175.108 176.300 -0.180 0.000 0.961 1429 R CA -0.544 55.545 56.100 -0.018 0.000 0.881 1429 R CB 1.642 31.938 30.300 -0.007 0.000 1.159 1429 R HN 0.775 nan 8.270 nan 0.000 0.450 1430 L N 2.906 123.946 121.223 -0.305 0.000 2.643 1430 L HA 0.425 4.766 4.340 0.001 0.000 0.256 1430 L C -1.962 174.511 176.870 -0.663 0.000 0.931 1430 L CA -0.800 53.717 54.840 -0.539 0.000 0.895 1430 L CB 1.616 43.159 42.059 -0.860 0.000 1.430 1430 L HN 0.478 nan 8.230 nan 0.000 0.419 1431 L N 2.601 123.397 121.223 -0.710 0.000 2.305 1431 L HA 0.740 5.081 4.340 0.001 0.000 0.261 1431 L C -0.949 175.246 176.870 -1.125 0.000 1.100 1431 L CA -0.269 54.100 54.840 -0.784 0.000 1.073 1431 L CB 1.273 43.097 42.059 -0.393 0.000 1.656 1431 L HN 0.497 nan 8.230 nan 0.000 0.536 1432 F N -0.762 119.034 119.950 -0.257 0.000 2.726 1432 F HA 0.757 5.285 4.527 0.001 0.000 0.324 1432 F C -0.922 174.796 175.800 -0.135 0.000 1.140 1432 F CA -0.766 57.111 58.000 -0.205 0.000 0.964 1432 F CB 1.521 40.376 39.000 -0.242 0.000 1.399 1432 F HN 0.062 nan 8.300 nan 0.000 0.491 1433 L N 2.051 123.369 121.223 0.158 0.000 2.511 1433 L HA 0.271 4.612 4.340 0.001 0.000 0.247 1433 L C -1.440 175.486 176.870 0.094 0.000 1.180 1433 L CA -0.107 54.783 54.840 0.084 0.000 0.919 1433 L CB -0.067 42.024 42.059 0.053 0.000 1.095 1433 L HN 0.513 nan 8.230 nan 0.000 0.534 1434 D N 2.542 122.999 120.400 0.095 0.000 2.382 1434 D HA 0.312 4.952 4.640 0.001 0.000 0.245 1434 D C 0.234 176.583 176.300 0.082 0.000 1.120 1434 D CA 1.025 55.080 54.000 0.091 0.000 0.890 1434 D CB 0.941 41.802 40.800 0.102 0.000 1.201 1434 D HN 0.464 nan 8.370 nan 0.000 0.433 1435 Q N 1.340 121.184 119.800 0.072 0.000 2.493 1435 Q HA -0.200 4.141 4.340 0.001 0.000 0.278 1435 Q C 0.578 176.616 176.000 0.063 0.000 1.198 1435 Q CA 0.839 56.678 55.803 0.061 0.000 0.880 1435 Q CB -2.091 26.677 28.738 0.050 0.000 1.260 1435 Q HN 0.611 nan 8.270 nan 0.000 0.470 1436 A N -0.372 122.492 122.820 0.073 0.000 2.259 1436 A HA 0.151 4.472 4.320 0.001 0.000 0.212 1436 A C 2.074 179.704 177.584 0.075 0.000 1.178 1436 A CA 1.471 53.556 52.037 0.081 0.000 0.734 1436 A CB -0.189 18.869 19.000 0.098 0.000 0.774 1436 A HN 0.642 nan 8.150 nan 0.000 0.481 1437 A N 0.087 122.946 122.820 0.064 0.000 2.125 1437 A HA -0.135 4.186 4.320 0.001 0.000 0.219 1437 A C 2.074 179.687 177.584 0.050 0.000 1.156 1437 A CA 1.232 53.302 52.037 0.054 0.000 0.671 1437 A CB -0.396 18.633 19.000 0.047 0.000 0.794 1437 A HN 0.590 nan 8.150 nan 0.000 0.459 1438 R N -1.374 119.157 120.500 0.051 0.000 2.280 1438 R HA 0.098 4.439 4.340 0.001 0.000 0.207 1438 R C -0.665 175.671 176.300 0.061 0.000 1.043 1438 R CA 0.163 56.291 56.100 0.047 0.000 1.006 1438 R CB -0.211 30.113 30.300 0.040 0.000 0.885 1438 R HN 0.343 nan 8.270 nan 0.000 0.467 1439 L N 1.406 122.675 121.223 0.076 0.000 2.295 1439 L HA 0.178 4.519 4.340 0.001 0.000 0.285 1439 L C -0.055 176.858 176.870 0.071 0.000 1.035 1439 L CA -0.763 54.136 54.840 0.099 0.000 0.806 1439 L CB 1.327 43.473 42.059 0.145 0.000 1.214 1439 L HN 0.039 nan 8.230 nan 0.000 0.426 1440 D N 1.650 122.085 120.400 0.059 0.000 2.411 1440 D HA 0.438 5.079 4.640 0.001 0.000 0.251 1440 D C 1.145 177.450 176.300 0.008 0.000 1.201 1440 D CA -0.024 53.992 54.000 0.027 0.000 0.996 1440 D CB 0.713 41.524 40.800 0.018 0.000 1.101 1440 D HN 0.525 nan 8.370 nan 0.000 0.504 1441 A N 0.487 123.297 122.820 -0.016 0.000 1.863 1441 A HA -0.320 4.001 4.320 0.001 0.000 0.218 1441 A C 2.104 179.650 177.584 -0.064 0.000 1.233 1441 A CA 3.078 55.088 52.037 -0.045 0.000 0.655 1441 A CB -1.158 17.812 19.000 -0.050 0.000 0.839 1441 A HN 0.727 nan 8.150 nan 0.000 0.454 1442 M N 0.175 119.735 119.600 -0.066 0.000 2.088 1442 M HA -0.178 4.303 4.480 0.001 0.000 0.256 1442 M C 2.254 178.466 176.300 -0.145 0.000 1.071 1442 M CA 2.568 57.809 55.300 -0.099 0.000 1.097 1442 M CB -0.675 31.872 32.600 -0.088 0.000 1.315 1442 M HN 0.381 nan 8.290 nan 0.000 0.406 1443 S N -0.112 115.524 115.700 -0.107 0.000 2.370 1443 S HA -0.138 4.332 4.470 0.001 0.000 0.226 1443 S C 1.795 176.375 174.600 -0.034 0.000 1.033 1443 S CA 1.605 59.736 58.200 -0.116 0.000 1.011 1443 S CB -0.649 62.623 63.200 0.120 0.000 0.852 1443 S HN 0.570 nan 8.310 nan 0.000 0.457 1444 I N 2.719 123.304 120.570 0.024 0.000 2.286 1444 I HA -0.101 4.070 4.170 0.001 0.000 0.245 1444 I C 1.920 178.076 176.117 0.065 0.000 1.104 1444 I CA 1.097 62.452 61.300 0.092 0.000 1.397 1444 I CB -0.804 37.233 38.000 0.061 0.000 1.072 1444 I HN 0.258 nan 8.210 nan 0.000 0.417 1445 N N 0.006 118.667 118.700 -0.064 0.000 2.021 1445 N HA -0.265 4.475 4.740 0.001 0.000 0.198 1445 N C 1.787 177.300 175.510 0.005 0.000 1.041 1445 N CA 3.031 56.028 53.050 -0.088 0.000 0.862 1445 N CB -0.777 37.641 38.487 -0.114 0.000 1.048 1445 N HN 0.378 nan 8.380 nan 0.000 0.427 1446 T N 0.938 115.435 114.554 -0.096 0.000 2.653 1446 T HA -0.174 4.177 4.350 0.001 0.000 0.268 1446 T C 1.883 176.597 174.700 0.024 0.000 1.035 1446 T CA 1.556 63.579 62.100 -0.128 0.000 1.154 1446 T CB -0.538 68.064 68.868 -0.443 0.000 0.862 1446 T HN 0.199 nan 8.240 nan 0.000 0.441 1447 L N -0.546 120.747 121.223 0.117 0.000 1.971 1447 L HA -0.156 4.185 4.340 0.001 0.000 0.215 1447 L C 2.347 179.321 176.870 0.174 0.000 1.072 1447 L CA 1.659 56.627 54.840 0.212 0.000 0.758 1447 L CB -0.613 41.603 42.059 0.262 0.000 0.889 1447 L HN 0.187 nan 8.230 nan 0.000 0.433 1448 F N 0.351 120.306 119.950 0.008 0.000 2.027 1448 F HA -0.346 4.182 4.527 0.001 0.000 0.297 1448 F C 2.690 178.486 175.800 -0.006 0.000 1.129 1448 F CA 2.146 60.145 58.000 -0.002 0.000 1.195 1448 F CB -0.744 38.252 39.000 -0.006 0.000 0.960 1448 F HN 0.195 nan 8.300 nan 0.000 0.485 1449 E N 0.252 120.573 120.200 0.203 0.000 2.208 1449 E HA -0.263 4.088 4.350 0.001 0.000 0.202 1449 E C 2.255 178.889 176.600 0.056 0.000 1.014 1449 E CA 1.366 57.824 56.400 0.097 0.000 0.819 1449 E CB -0.353 29.378 29.700 0.052 0.000 0.735 1449 E HN 0.458 nan 8.360 nan 0.000 0.469 1450 L N -0.137 121.118 121.223 0.055 0.000 2.017 1450 L HA -0.238 4.103 4.340 0.001 0.000 0.208 1450 L C 2.738 179.608 176.870 0.001 0.000 1.073 1450 L CA 1.148 56.008 54.840 0.033 0.000 0.745 1450 L CB -0.350 41.739 42.059 0.051 0.000 0.894 1450 L HN 0.406 nan 8.230 nan 0.000 0.432 1451 C N -0.047 119.235 119.300 -0.029 0.000 2.413 1451 C HA -0.171 4.290 4.460 0.001 0.000 0.276 1451 C C 2.388 177.358 174.990 -0.033 0.000 1.248 1451 C CA 0.683 59.663 59.018 -0.062 0.000 1.742 1451 C CB -0.802 26.860 27.740 -0.129 0.000 2.017 1451 C HN 0.457 nan 8.230 nan 0.000 0.481 1452 E N -0.379 119.815 120.200 -0.009 0.000 2.526 1452 E HA -0.071 4.279 4.350 0.001 0.000 0.198 1452 E C 1.952 178.557 176.600 0.008 0.000 1.091 1452 E CA 0.394 56.798 56.400 0.006 0.000 0.880 1452 E CB 0.005 29.722 29.700 0.029 0.000 0.873 1452 E HN 0.635 nan 8.360 nan 0.000 0.527 1453 R N -0.650 119.853 120.500 0.005 0.000 2.342 1453 R HA 0.140 4.480 4.340 0.001 0.000 0.204 1453 R C 0.695 176.996 176.300 0.002 0.000 0.882 1453 R CA 0.071 56.175 56.100 0.007 0.000 1.041 1453 R CB 0.623 30.931 30.300 0.014 0.000 1.188 1453 R HN -0.024 nan 8.270 nan 0.000 0.598 1454 L N 1.254 122.472 121.223 -0.007 0.000 3.066 1454 L HA 0.177 4.518 4.340 0.001 0.000 0.265 1454 L C -0.446 176.413 176.870 -0.018 0.000 1.232 1454 L CA -0.032 54.801 54.840 -0.012 0.000 1.031 1454 L CB 0.360 42.408 42.059 -0.018 0.000 1.379 1454 L HN 0.003 nan 8.230 nan 0.000 0.563 1455 D N 1.562 121.952 120.400 -0.016 0.000 2.980 1455 D HA -0.272 4.368 4.640 0.001 0.000 0.218 1455 D C -0.206 176.075 176.300 -0.031 0.000 1.225 1455 D CA 1.028 55.018 54.000 -0.017 0.000 0.804 1455 D CB -0.186 40.610 40.800 -0.005 0.000 0.906 1455 D HN 0.329 nan 8.370 nan 0.000 0.396 1456 M N 0.946 120.512 119.600 -0.057 0.000 2.755 1456 M HA 0.344 4.825 4.480 0.001 0.000 0.273 1456 M C -1.380 174.837 176.300 -0.137 0.000 1.278 1456 M CA -0.713 54.531 55.300 -0.092 0.000 0.819 1456 M CB 1.887 34.423 32.600 -0.105 0.000 1.694 1456 M HN 0.061 nan 8.290 nan 0.000 0.460 1457 Q N 1.910 121.589 119.800 -0.201 0.000 2.365 1457 Q HA 0.724 5.065 4.340 0.001 0.000 0.269 1457 Q C -1.739 174.057 176.000 -0.340 0.000 1.061 1457 Q CA -0.753 54.896 55.803 -0.257 0.000 0.816 1457 Q CB 2.963 31.533 28.738 -0.280 0.000 1.325 1457 Q HN 0.607 nan 8.270 nan 0.000 0.446 1458 L N 2.976 124.011 121.223 -0.314 0.000 2.406 1458 L HA 0.430 4.771 4.340 0.001 0.000 0.272 1458 L C -1.207 175.533 176.870 -0.218 0.000 0.980 1458 L CA -0.932 53.722 54.840 -0.311 0.000 0.831 1458 L CB 1.535 43.434 42.059 -0.267 0.000 1.253 1458 L HN 0.365 nan 8.230 nan 0.000 0.406 1459 L N 6.122 127.230 121.223 -0.191 0.000 2.257 1459 L HA 0.601 4.942 4.340 0.001 0.000 0.290 1459 L C -0.170 176.767 176.870 0.112 0.000 1.044 1459 L CA 0.014 54.885 54.840 0.051 0.000 0.810 1459 L CB 0.646 42.883 42.059 0.297 0.000 1.193 1459 L HN 0.488 nan 8.230 nan 0.000 0.425 1460 I N 2.079 122.702 120.570 0.087 0.000 3.133 1460 I HA 1.005 5.175 4.170 0.001 0.000 0.311 1460 I C -0.535 175.642 176.117 0.100 0.000 1.072 1460 I CA -1.120 60.238 61.300 0.096 0.000 1.015 1460 I CB 2.059 40.110 38.000 0.085 0.000 1.233 1460 I HN 0.675 nan 8.210 nan 0.000 0.473 1461 A N 1.993 124.869 122.820 0.094 0.000 2.509 1461 A HA 0.779 5.099 4.320 0.001 0.000 0.282 1461 A C -0.972 176.661 177.584 0.081 0.000 1.054 1461 A CA -0.297 51.791 52.037 0.085 0.000 0.820 1461 A CB 0.983 20.030 19.000 0.079 0.000 1.333 1461 A HN 1.181 nan 8.150 nan 0.000 0.409 1462 A N 4.785 127.654 122.820 0.080 0.000 2.340 1462 A HA 0.805 5.126 4.320 0.001 0.000 0.297 1462 A C -1.577 176.048 177.584 0.069 0.000 1.195 1462 A CA -1.641 50.440 52.037 0.073 0.000 0.769 1462 A CB 0.900 19.945 19.000 0.074 0.000 1.163 1462 A HN 0.482 nan 8.150 nan 0.000 0.472 1463 P HA -0.206 nan 4.420 nan 0.000 0.220 1463 P C 0.495 177.827 177.300 0.054 0.000 1.144 1463 P CA 0.788 63.923 63.100 0.058 0.000 0.800 1463 P CB 0.113 31.843 31.700 0.050 0.000 0.772 1464 E N 0.514 120.745 120.200 0.052 0.000 2.467 1464 E HA -0.080 4.271 4.350 0.001 0.000 0.264 1464 E C 0.985 177.615 176.600 0.050 0.000 1.020 1464 E CA -0.057 56.371 56.400 0.046 0.000 0.945 1464 E CB 0.250 29.976 29.700 0.044 0.000 0.942 1464 E HN 0.069 nan 8.360 nan 0.000 0.449 1465 N N 3.227 121.953 118.700 0.043 0.000 2.457 1465 N HA -0.011 4.730 4.740 0.001 0.000 0.180 1465 N C -0.125 175.410 175.510 0.043 0.000 1.050 1465 N CA 0.554 53.630 53.050 0.044 0.000 0.906 1465 N CB 0.318 38.828 38.487 0.037 0.000 0.968 1465 N HN 0.379 nan 8.380 nan 0.000 0.445 1466 I N 1.102 121.695 120.570 0.038 0.000 2.306 1466 I HA 0.154 4.325 4.170 0.001 0.000 0.288 1466 I C 0.361 176.501 176.117 0.037 0.000 1.036 1466 I CA -0.126 61.193 61.300 0.032 0.000 1.221 1466 I CB 0.727 38.740 38.000 0.021 0.000 1.385 1466 I HN -0.183 nan 8.210 nan 0.000 0.472 1467 S N 7.353 123.079 115.700 0.043 0.000 2.621 1467 S HA 0.710 5.181 4.470 0.001 0.000 0.302 1467 S C -1.826 172.792 174.600 0.030 0.000 1.093 1467 S CA -0.979 57.252 58.200 0.052 0.000 1.017 1467 S CB 1.503 64.748 63.200 0.075 0.000 1.077 1467 S HN 0.385 nan 8.310 nan 0.000 0.517 1468 P HA 0.195 nan 4.420 nan 0.000 0.316 1468 P C 0.219 177.512 177.300 -0.012 0.000 1.413 1468 P CA 0.181 63.252 63.100 -0.047 0.000 0.828 1468 P CB 0.260 31.880 31.700 -0.133 0.000 1.787 1469 E N -2.613 117.572 120.200 -0.026 0.000 2.626 1469 E HA 0.078 4.429 4.350 0.001 0.000 0.198 1469 E C -0.014 176.611 176.600 0.042 0.000 0.943 1469 E CA -0.085 56.323 56.400 0.014 0.000 1.515 1469 E CB 0.338 30.035 29.700 -0.005 0.000 1.677 1469 E HN 0.105 nan 8.360 nan 0.000 0.897 1470 R N 1.166 121.685 120.500 0.031 0.000 2.609 1470 R HA 0.435 4.776 4.340 0.001 0.000 0.271 1470 R C -0.189 176.275 176.300 0.273 0.000 1.403 1470 R CA 0.657 56.837 56.100 0.134 0.000 1.138 1470 R CB 0.754 31.119 30.300 0.109 0.000 1.142 1470 R HN 0.238 nan 8.270 nan 0.000 0.559 1471 G N 0.978 109.880 108.800 0.171 0.000 2.525 1471 G HA2 -0.181 3.780 3.960 0.001 0.000 0.685 1471 G HA3 -0.181 3.780 3.960 0.001 0.000 0.685 1471 G C -0.350 174.623 174.900 0.121 0.000 1.285 1471 G CA -1.253 43.937 45.100 0.149 0.000 0.849 1471 G HN 0.297 nan 8.290 nan 0.000 0.653 1472 T N 1.480 116.096 114.554 0.103 0.000 2.939 1472 T HA 0.487 4.838 4.350 0.001 0.000 0.319 1472 T C 0.557 175.309 174.700 0.087 0.000 1.082 1472 T CA 0.985 63.160 62.100 0.124 0.000 1.133 1472 T CB 0.636 69.598 68.868 0.157 0.000 1.019 1472 T HN 0.915 nan 8.240 nan 0.000 0.548 1473 T N 2.236 116.892 114.554 0.170 0.000 2.952 1473 T HA 0.460 4.810 4.350 0.001 0.000 0.305 1473 T C -1.153 173.803 174.700 0.426 0.000 1.064 1473 T CA -0.590 61.604 62.100 0.157 0.000 1.008 1473 T CB 1.004 69.955 68.868 0.138 0.000 1.078 1473 T HN 0.513 nan 8.240 nan 0.000 0.459 1474 Y N 1.172 121.527 120.300 0.092 0.000 2.446 1474 Y HA 0.600 5.150 4.550 0.001 0.000 0.338 1474 Y C 0.370 176.326 175.900 0.093 0.000 1.055 1474 Y CA -1.345 56.809 58.100 0.090 0.000 1.101 1474 Y CB 2.141 40.680 38.460 0.131 0.000 1.221 1474 Y HN 0.295 nan 8.280 nan 0.000 0.460 1475 K N 3.321 123.861 120.400 0.233 0.000 2.376 1475 K HA 0.518 4.839 4.320 0.001 0.000 0.257 1475 K C -2.100 174.591 176.600 0.151 0.000 0.939 1475 K CA -0.676 55.709 56.287 0.163 0.000 0.809 1475 K CB 1.036 33.606 32.500 0.117 0.000 1.121 1475 K HN 0.501 nan 8.250 nan 0.000 0.425 1476 L N 3.806 125.125 121.223 0.161 0.000 2.346 1476 L HA 0.514 4.855 4.340 0.001 0.000 0.276 1476 L C -1.004 175.939 176.870 0.122 0.000 1.006 1476 L CA -0.833 54.107 54.840 0.167 0.000 0.817 1476 L CB 2.045 44.249 42.059 0.242 0.000 1.272 1476 L HN 0.292 nan 8.230 nan 0.000 0.421 1477 V N 2.793 122.767 119.914 0.101 0.000 2.488 1477 V HA 0.473 4.594 4.120 0.001 0.000 0.293 1477 V C -0.206 175.897 176.094 0.015 0.000 1.027 1477 V CA -0.734 61.602 62.300 0.060 0.000 0.862 1477 V CB 1.665 33.522 31.823 0.056 0.000 1.008 1477 V HN 0.716 nan 8.190 nan 0.000 0.428 1478 R N 4.156 124.654 120.500 -0.003 0.000 2.297 1478 R HA 0.597 4.937 4.340 0.001 0.000 0.308 1478 R C -0.705 175.592 176.300 -0.005 0.000 1.029 1478 R CA -0.452 55.622 56.100 -0.043 0.000 0.929 1478 R CB 0.876 31.147 30.300 -0.048 0.000 1.046 1478 R HN 0.503 nan 8.270 nan 0.000 0.461 1479 K N 4.428 124.842 120.400 0.022 0.000 2.477 1479 K HA 0.372 4.693 4.320 0.001 0.000 0.255 1479 K C -0.577 176.086 176.600 0.106 0.000 0.952 1479 K CA -0.857 55.466 56.287 0.060 0.000 0.826 1479 K CB 1.679 34.214 32.500 0.058 0.000 1.331 1479 K HN 0.605 nan 8.250 nan 0.000 0.437 1480 I N 2.922 123.536 120.570 0.074 0.000 2.556 1480 I HA 0.159 4.329 4.170 0.001 0.000 0.284 1480 I C 0.277 176.440 176.117 0.077 0.000 1.114 1480 I CA -0.144 61.199 61.300 0.071 0.000 1.418 1480 I CB 0.230 38.255 38.000 0.042 0.000 1.394 1480 I HN 0.267 nan 8.210 nan 0.000 0.552 1481 L N 6.708 127.975 121.223 0.073 0.000 2.555 1481 L HA 0.529 4.870 4.340 0.001 0.000 0.264 1481 L C 0.422 177.298 176.870 0.009 0.000 0.972 1481 L CA -0.223 54.635 54.840 0.030 0.000 0.876 1481 L CB 1.246 43.302 42.059 -0.005 0.000 1.216 1481 L HN 0.860 nan 8.230 nan 0.000 0.415 1482 A N 3.674 126.496 122.820 0.003 0.000 2.887 1482 A HA -0.244 4.077 4.320 0.001 0.000 0.257 1482 A C 0.883 178.475 177.584 0.013 0.000 1.372 1482 A CA 1.120 53.158 52.037 0.002 0.000 0.879 1482 A CB -2.127 16.867 19.000 -0.009 0.000 1.082 1482 A HN 1.140 nan 8.150 nan 0.000 0.703 1483 N N -2.263 116.450 118.700 0.021 0.000 2.800 1483 N HA -0.164 4.576 4.740 0.001 0.000 0.250 1483 N C -0.310 175.220 175.510 0.033 0.000 1.078 1483 N CA 1.651 54.716 53.050 0.025 0.000 0.804 1483 N CB -0.750 37.748 38.487 0.019 0.000 1.135 1483 N HN 0.895 nan 8.380 nan 0.000 0.565 1484 Q N 1.087 120.912 119.800 0.041 0.000 2.325 1484 Q HA 0.172 4.512 4.340 0.001 0.000 0.262 1484 Q C -0.099 175.953 176.000 0.086 0.000 0.968 1484 Q CA -0.310 55.526 55.803 0.055 0.000 0.877 1484 Q CB 1.115 29.884 28.738 0.052 0.000 1.253 1484 Q HN 0.090 nan 8.270 nan 0.000 0.448 1485 E N 2.628 122.872 120.200 0.073 0.000 2.729 1485 E HA -0.133 4.218 4.350 0.001 0.000 0.246 1485 E C -0.778 175.903 176.600 0.134 0.000 0.984 1485 E CA 0.898 57.339 56.400 0.068 0.000 0.951 1485 E CB 0.055 29.767 29.700 0.021 0.000 0.914 1485 E HN 0.336 nan 8.360 nan 0.000 0.509 1486 Y N 2.240 122.525 120.300 -0.025 0.000 2.442 1486 Y HA 0.332 4.882 4.550 0.001 0.000 0.344 1486 Y C -1.191 174.699 175.900 -0.016 0.000 0.976 1486 Y CA -1.020 57.074 58.100 -0.010 0.000 1.040 1486 Y CB 1.343 39.829 38.460 0.043 0.000 1.228 1486 Y HN 0.126 nan 8.280 nan 0.000 0.451 1487 V N 5.969 125.444 119.914 -0.732 0.000 2.444 1487 V HA 0.236 4.356 4.120 0.001 0.000 0.294 1487 V C -0.953 174.812 176.094 -0.549 0.000 1.022 1487 V CA -0.801 61.179 62.300 -0.533 0.000 0.850 1487 V CB 1.152 32.732 31.823 -0.405 0.000 0.992 1487 V HN 0.771 nan 8.190 nan 0.000 0.426 1488 H N 3.257 122.053 119.070 -0.457 0.000 2.723 1488 H HA 0.517 5.074 4.556 0.001 0.000 0.294 1488 H C -0.469 174.824 175.328 -0.057 0.000 1.079 1488 H CA 0.107 56.013 56.048 -0.237 0.000 1.411 1488 H CB 1.234 30.931 29.762 -0.107 0.000 1.439 1488 H HN 0.441 nan 8.280 nan 0.000 0.474 1489 V N 6.877 126.711 119.914 -0.134 0.000 2.347 1489 V HA 0.340 4.461 4.120 0.001 0.000 0.280 1489 V C -0.380 175.609 176.094 -0.174 0.000 1.021 1489 V CA -0.517 61.719 62.300 -0.106 0.000 0.847 1489 V CB 1.060 32.758 31.823 -0.208 0.000 0.990 1489 V HN 0.497 nan 8.190 nan 0.000 0.444 1490 V N 3.286 123.149 119.914 -0.085 0.000 3.040 1490 V HA 0.861 4.982 4.120 0.001 0.000 0.312 1490 V C 0.541 176.593 176.094 -0.069 0.000 1.115 1490 V CA -0.453 61.796 62.300 -0.085 0.000 0.998 1490 V CB 2.309 34.139 31.823 0.011 0.000 1.042 1490 V HN 0.875 nan 8.190 nan 0.000 0.433 1491 G N 0.829 109.579 108.800 -0.083 0.000 2.491 1491 G HA2 0.798 4.759 3.960 0.001 0.000 0.327 1491 G HA3 0.798 4.759 3.960 0.001 0.000 0.327 1491 G C -1.284 173.652 174.900 0.060 0.000 1.189 1491 G CA -0.455 44.646 45.100 0.002 0.000 0.956 1491 G HN 0.696 nan 8.290 nan 0.000 0.491 1492 L N 0.000 121.289 121.223 0.110 0.000 2.949 1492 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1492 L CA 0.000 54.892 54.840 0.087 0.000 0.813 1492 L CB 0.000 42.109 42.059 0.084 0.000 0.961 1492 L HN 0.000 nan 8.230 nan 0.000 0.502