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 2rhs_1_D DATA FIRST_RESID 1 DATA SEQUENCE MLISNEWLKD YVDAGVKVED LAERITRTGI EVDNMIDYSK DIKNLVVGYI DATA SEQUENCE QSKEKXXXXX XLNICQVDIG EEEPVQIVCG APNVDAGQHV IVAKVGGRLP DATA SEQUENCE GGIKIKRAKX XGERSEGMIC SLQEIGISSN VVPXXXXXXI FVFPTEVEPG DATA SEQUENCE TDALTALYLN DQVMEFDLTP NRADALSMVG TAYEVAALYQ TEMTKPETQS DATA SEQUENCE NETSESATNE LSVTIDNPEK VPYYSARVVK NVSIEPSPIW VQARLIKAGI DATA SEQUENCE RPINNVVDIS NYVLLEYGQP LHMFDQDHIG SKEIVVRQAK DEETMTTLDN DATA SEQUENCE NERKLVDTDI VISNGQEPIA LAGVMGGDFS EVTEQTTNVV IEGAIFDPVS DATA SEQUENCE IRHTSRRLNL RSEASSRFEK GIATEFVDEA VDRACYLLQE LASGEVLQDR DATA SEQUENCE VSSGDLGSFV TPIDITAEKV NKTIGFNLSN DEIQSIFRQL GFETTLKGET DATA SEQUENCE LTVNVPSRRK DITIKEDLIE EVARIYGYDE IPSSLPVFGE VTSGELTDRQ DATA SEQUENCE HKTRTLKETL EGAGLNQAIT YSLVSKDHAK DFALQERPTI SLLMPMSEAH DATA SEQUENCE ATLRQSLLPH LIEATAYNVA RKNKDVRLYE IGRVFFGNGE GELPDEVEYL DATA SEQUENCE SGILTGEYVV NAWQGKKEEI DFFIAKGVVD RVAEKLNLEF SYKAGKIEGL DATA SEQUENCE HPGRTAIVSL GGAGIGFIGE LHPQVAADND LKRTYVFELN YDAMMQVAVG DATA SEQUENCE YINYEQIPKF PGVTRDIALE VNHDVPSSEL KQIIHNNGED ILQSTLVFDV DATA SEQUENCE YEGEHLEKGK KSVAIRLNYL DTEDTLTDER VSKIHDKILE ALQAQGATI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.173 176.300 -0.212 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.055 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 L N 5.675 126.799 121.223 -0.166 0.000 2.282 2 L HA 0.706 5.045 4.340 -0.000 0.000 0.288 2 L C -0.776 175.969 176.870 -0.210 0.000 1.033 2 L CA -0.538 54.205 54.840 -0.160 0.000 0.807 2 L CB 1.454 43.503 42.059 -0.017 0.000 1.209 2 L HN 0.608 nan 8.230 nan 0.000 0.423 3 I N 2.785 123.194 120.570 -0.269 0.000 2.476 3 I HA 0.136 4.306 4.170 -0.000 0.000 0.281 3 I C 0.045 176.114 176.117 -0.080 0.000 1.040 3 I CA -0.133 61.003 61.300 -0.274 0.000 1.094 3 I CB 1.949 39.636 38.000 -0.521 0.000 1.219 3 I HN 0.567 nan 8.210 nan 0.000 0.450 4 S N 4.348 120.087 115.700 0.066 0.000 2.528 4 S HA 0.111 4.581 4.470 -0.000 0.000 0.277 4 S C 0.967 175.653 174.600 0.142 0.000 1.297 4 S CA -0.135 58.170 58.200 0.174 0.000 1.052 4 S CB 1.156 64.551 63.200 0.326 0.000 0.917 4 S HN 0.648 nan 8.310 nan 0.000 0.492 5 N N 2.834 121.604 118.700 0.117 0.000 2.058 5 N HA -0.184 4.555 4.740 -0.000 0.000 0.191 5 N C 1.772 177.343 175.510 0.101 0.000 1.037 5 N CA 1.839 54.939 53.050 0.082 0.000 0.848 5 N CB -0.357 38.169 38.487 0.065 0.000 1.021 5 N HN 0.845 nan 8.380 nan 0.000 0.422 6 E N -0.205 120.077 120.200 0.137 0.000 2.049 6 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 6 E C 1.707 178.429 176.600 0.204 0.000 1.007 6 E CA 1.264 57.753 56.400 0.148 0.000 0.809 6 E CB -0.738 29.069 29.700 0.179 0.000 0.749 6 E HN 0.574 nan 8.360 nan 0.000 0.450 7 W N 1.608 122.927 121.300 0.032 0.000 2.363 7 W HA -0.161 4.498 4.660 -0.000 0.000 0.296 7 W C 2.253 178.746 176.519 -0.043 0.000 1.212 7 W CA 1.465 58.815 57.345 0.008 0.000 1.260 7 W CB -0.884 28.605 29.460 0.049 0.000 1.131 7 W HN 0.243 nan 8.180 nan 0.000 0.530 8 L N 1.730 123.022 121.223 0.116 0.000 2.217 8 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 8 L C 2.166 179.025 176.870 -0.020 0.000 1.107 8 L CA 1.793 56.650 54.840 0.030 0.000 0.783 8 L CB -0.644 41.416 42.059 0.002 0.000 0.919 8 L HN -0.137 nan 8.230 nan 0.000 0.442 9 K N -1.166 119.208 120.400 -0.044 0.000 2.525 9 K HA -0.032 4.288 4.320 -0.000 0.000 0.192 9 K C 1.100 177.601 176.600 -0.166 0.000 1.029 9 K CA 0.586 56.824 56.287 -0.082 0.000 1.029 9 K CB -0.175 32.297 32.500 -0.048 0.000 0.814 9 K HN 0.217 nan 8.250 nan 0.000 0.503 10 D N 0.665 120.880 120.400 -0.309 0.000 2.182 10 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 10 D C 1.129 177.068 176.300 -0.601 0.000 0.986 10 D CA 1.416 55.089 54.000 -0.545 0.000 0.847 10 D CB 0.060 40.363 40.800 -0.828 0.000 0.942 10 D HN 0.377 nan 8.370 nan 0.000 0.467 11 Y N -1.385 118.864 120.300 -0.085 0.000 2.607 11 Y HA 0.363 4.913 4.550 -0.000 0.000 0.276 11 Y C 0.606 176.420 175.900 -0.142 0.000 1.117 11 Y CA -0.306 57.706 58.100 -0.147 0.000 1.273 11 Y CB 0.683 39.003 38.460 -0.232 0.000 1.282 11 Y HN -0.264 nan 8.280 nan 0.000 0.514 12 V N 0.410 120.327 119.914 0.005 0.000 2.932 12 V HA 0.413 4.533 4.120 -0.000 0.000 0.307 12 V C -1.916 174.142 176.094 -0.059 0.000 1.147 12 V CA -0.758 61.522 62.300 -0.034 0.000 0.951 12 V CB 2.216 34.022 31.823 -0.030 0.000 1.031 12 V HN 0.099 nan 8.190 nan 0.000 0.426 13 D N 4.409 124.765 120.400 -0.073 0.000 2.440 13 D HA 0.548 5.188 4.640 -0.000 0.000 0.239 13 D C 0.608 176.815 176.300 -0.155 0.000 1.084 13 D CA 0.216 54.157 54.000 -0.099 0.000 0.843 13 D CB 2.211 42.963 40.800 -0.080 0.000 1.097 13 D HN 0.735 nan 8.370 nan 0.000 0.531 14 A N 2.366 125.032 122.820 -0.257 0.000 2.209 14 A HA 0.255 4.575 4.320 -0.000 0.000 0.212 14 A C 1.454 178.775 177.584 -0.439 0.000 1.158 14 A CA 0.745 52.446 52.037 -0.559 0.000 0.742 14 A CB -0.345 18.156 19.000 -0.832 0.000 0.790 14 A HN 0.824 nan 8.150 nan 0.000 0.472 15 G N -1.154 107.511 108.800 -0.226 0.000 2.371 15 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.299 15 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.299 15 G C -0.181 174.646 174.900 -0.123 0.000 1.014 15 G CA 0.610 45.631 45.100 -0.132 0.000 1.097 15 G HN 1.326 nan 8.290 nan 0.000 0.512 16 V N -0.503 119.329 119.914 -0.136 0.000 3.108 16 V HA 0.386 4.505 4.120 -0.000 0.000 0.287 16 V C 0.075 176.133 176.094 -0.060 0.000 1.436 16 V CA -1.342 60.903 62.300 -0.093 0.000 1.001 16 V CB 1.810 33.552 31.823 -0.134 0.000 1.141 16 V HN 0.478 nan 8.190 nan 0.000 0.443 17 K N 1.845 122.236 120.400 -0.014 0.000 2.355 17 K HA 0.199 4.519 4.320 -0.000 0.000 0.270 17 K C 0.842 177.450 176.600 0.013 0.000 1.003 17 K CA 0.153 56.441 56.287 0.001 0.000 0.957 17 K CB 1.338 33.847 32.500 0.014 0.000 0.939 17 K HN 0.526 nan 8.250 nan 0.000 0.482 18 V N 2.956 122.881 119.914 0.019 0.000 2.568 18 V HA -0.275 3.844 4.120 -0.000 0.000 0.253 18 V C 1.427 177.553 176.094 0.053 0.000 1.072 18 V CA 2.029 64.350 62.300 0.035 0.000 1.084 18 V CB -0.328 31.519 31.823 0.040 0.000 0.676 18 V HN 0.719 nan 8.190 nan 0.000 0.469 19 E N 0.225 120.453 120.200 0.046 0.000 2.015 19 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 19 E C 1.930 178.568 176.600 0.064 0.000 0.991 19 E CA 1.707 58.138 56.400 0.050 0.000 0.802 19 E CB -0.515 29.208 29.700 0.038 0.000 0.759 19 E HN 0.622 nan 8.360 nan 0.000 0.447 20 D N 0.010 120.450 120.400 0.067 0.000 2.191 20 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 20 D C 1.829 178.221 176.300 0.152 0.000 1.003 20 D CA 0.905 54.964 54.000 0.098 0.000 0.867 20 D CB -0.215 40.645 40.800 0.100 0.000 0.926 20 D HN 0.104 nan 8.370 nan 0.000 0.450 21 L N -0.064 121.240 121.223 0.134 0.000 2.095 21 L HA 0.141 4.481 4.340 -0.000 0.000 0.204 21 L C 2.027 178.994 176.870 0.162 0.000 1.080 21 L CA 1.547 56.495 54.840 0.181 0.000 0.759 21 L CB -0.633 41.478 42.059 0.085 0.000 0.914 21 L HN -0.021 nan 8.230 nan 0.000 0.439 22 A N 0.111 123.006 122.820 0.126 0.000 1.883 22 A HA -0.284 4.035 4.320 -0.000 0.000 0.217 22 A C 2.193 179.828 177.584 0.085 0.000 1.186 22 A CA 1.917 54.027 52.037 0.121 0.000 0.624 22 A CB -0.923 18.141 19.000 0.107 0.000 0.822 22 A HN 0.667 nan 8.150 nan 0.000 0.444 23 E N 0.176 120.420 120.200 0.073 0.000 2.033 23 E HA -0.277 4.072 4.350 -0.000 0.000 0.199 23 E C 2.103 178.723 176.600 0.034 0.000 1.011 23 E CA 2.147 58.575 56.400 0.048 0.000 0.815 23 E CB -0.389 29.337 29.700 0.044 0.000 0.755 23 E HN 0.518 nan 8.360 nan 0.000 0.451 24 R N -0.098 120.432 120.500 0.049 0.000 2.096 24 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 24 R C 2.428 178.726 176.300 -0.003 0.000 1.127 24 R CA 1.695 57.794 56.100 -0.001 0.000 0.968 24 R CB -0.323 29.957 30.300 -0.032 0.000 0.861 24 R HN 0.405 nan 8.270 nan 0.000 0.440 25 I N -0.756 119.836 120.570 0.037 0.000 2.252 25 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 25 I C 1.840 177.925 176.117 -0.053 0.000 1.102 25 I CA 1.381 62.677 61.300 -0.007 0.000 1.385 25 I CB -0.479 37.525 38.000 0.005 0.000 1.064 25 I HN 0.175 nan 8.210 nan 0.000 0.414 26 T N 1.056 115.593 114.554 -0.028 0.000 2.812 26 T HA -0.135 4.215 4.350 -0.000 0.000 0.264 26 T C 1.922 176.613 174.700 -0.016 0.000 1.042 26 T CA 1.145 63.224 62.100 -0.034 0.000 1.140 26 T CB -0.259 68.605 68.868 -0.007 0.000 0.870 26 T HN 0.435 nan 8.240 nan 0.000 0.445 27 R N 1.729 122.225 120.500 -0.006 0.000 2.316 27 R HA -0.011 4.329 4.340 -0.000 0.000 0.202 27 R C 1.508 177.822 176.300 0.024 0.000 1.029 27 R CA 1.524 57.629 56.100 0.008 0.000 1.018 27 R CB -0.450 29.848 30.300 -0.002 0.000 0.888 27 R HN 0.452 nan 8.270 nan 0.000 0.471 28 T N -5.275 109.282 114.554 0.006 0.000 3.040 28 T HA 0.449 4.799 4.350 -0.000 0.000 0.266 28 T C 1.000 175.717 174.700 0.029 0.000 1.005 28 T CA 0.104 62.214 62.100 0.016 0.000 0.906 28 T CB 1.292 70.144 68.868 -0.025 0.000 1.082 28 T HN 0.349 nan 8.240 nan 0.000 0.531 29 G N 1.618 110.422 108.800 0.007 0.000 4.172 29 G HA2 0.066 4.026 3.960 -0.000 0.000 0.204 29 G HA3 0.066 4.026 3.960 -0.000 0.000 0.204 29 G C -0.339 174.525 174.900 -0.059 0.000 1.256 29 G CA -0.566 44.537 45.100 0.006 0.000 0.886 29 G HN 0.489 nan 8.290 nan 0.000 0.344 30 I N 2.809 123.296 120.570 -0.138 0.000 2.352 30 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 30 I C 0.369 176.329 176.117 -0.263 0.000 1.036 30 I CA -0.409 60.733 61.300 -0.263 0.000 1.336 30 I CB 1.567 39.257 38.000 -0.516 0.000 1.407 30 I HN 0.429 nan 8.210 nan 0.000 0.497 31 E N 7.120 127.218 120.200 -0.171 0.000 2.180 31 E HA 0.188 4.538 4.350 -0.000 0.000 0.283 31 E C -1.054 175.524 176.600 -0.036 0.000 1.061 31 E CA -0.593 55.757 56.400 -0.084 0.000 0.861 31 E CB 0.966 30.646 29.700 -0.032 0.000 1.056 31 E HN 0.400 nan 8.360 nan 0.000 0.407 32 V N 6.097 126.021 119.914 0.017 0.000 2.326 32 V HA 0.008 4.128 4.120 -0.000 0.000 0.249 32 V C 0.520 176.678 176.094 0.106 0.000 1.114 32 V CA 0.279 62.674 62.300 0.158 0.000 1.028 32 V CB -0.074 31.864 31.823 0.192 0.000 1.170 32 V HN 0.865 nan 8.190 nan 0.000 0.494 33 D N 2.973 123.435 120.400 0.104 0.000 2.355 33 D HA 0.007 4.647 4.640 -0.000 0.000 0.218 33 D C 0.451 176.784 176.300 0.055 0.000 1.004 33 D CA 0.335 54.374 54.000 0.064 0.000 0.880 33 D CB 0.091 40.921 40.800 0.051 0.000 0.911 33 D HN 0.731 nan 8.370 nan 0.000 0.528 34 N N -2.085 116.654 118.700 0.066 0.000 2.961 34 N HA 0.327 5.066 4.740 -0.000 0.000 0.245 34 N C -1.803 173.729 175.510 0.037 0.000 1.404 34 N CA -1.079 51.995 53.050 0.041 0.000 0.880 34 N CB 1.235 39.733 38.487 0.018 0.000 1.461 34 N HN -0.022 nan 8.380 nan 0.000 0.510 35 M N 1.876 121.486 119.600 0.016 0.000 2.053 35 M HA 0.511 4.991 4.480 -0.000 0.000 0.297 35 M C -1.779 174.503 176.300 -0.029 0.000 0.921 35 M CA -0.877 54.429 55.300 0.010 0.000 0.918 35 M CB 0.855 33.468 32.600 0.022 0.000 1.499 35 M HN 0.709 nan 8.290 nan 0.000 0.422 36 I N 3.453 123.986 120.570 -0.062 0.000 2.371 36 I HA 0.476 4.646 4.170 -0.000 0.000 0.290 36 I C -0.901 175.118 176.117 -0.164 0.000 1.028 36 I CA 0.362 61.565 61.300 -0.161 0.000 1.345 36 I CB 0.908 38.741 38.000 -0.278 0.000 1.407 36 I HN 0.669 nan 8.210 nan 0.000 0.501 37 D N 5.696 126.001 120.400 -0.158 0.000 2.493 37 D HA 0.187 4.827 4.640 -0.000 0.000 0.235 37 D C 0.491 176.752 176.300 -0.064 0.000 1.117 37 D CA -0.106 53.855 54.000 -0.064 0.000 0.930 37 D CB 0.136 40.920 40.800 -0.026 0.000 1.010 37 D HN 0.552 nan 8.370 nan 0.000 0.514 38 Y N 1.490 121.797 120.300 0.013 0.000 2.165 38 Y HA -0.203 4.346 4.550 -0.000 0.000 0.286 38 Y C 2.307 178.206 175.900 -0.001 0.000 1.155 38 Y CA 1.541 59.644 58.100 0.006 0.000 1.164 38 Y CB -0.385 38.082 38.460 0.011 0.000 0.978 38 Y HN 0.385 nan 8.280 nan 0.000 0.513 39 S N 1.971 117.764 115.700 0.156 0.000 3.269 39 S HA -0.098 4.371 4.470 -0.000 0.000 0.252 39 S C 0.142 174.768 174.600 0.043 0.000 1.087 39 S CA -0.455 57.792 58.200 0.078 0.000 1.242 39 S CB -1.656 61.580 63.200 0.060 0.000 1.044 39 S HN 0.407 nan 8.310 nan 0.000 0.482 40 K N 1.046 121.467 120.400 0.034 0.000 2.219 40 K HA 0.303 4.623 4.320 -0.000 0.000 0.280 40 K C -0.597 176.007 176.600 0.006 0.000 1.104 40 K CA -0.471 55.818 56.287 0.003 0.000 0.925 40 K CB 0.174 32.657 32.500 -0.028 0.000 1.261 40 K HN 0.093 nan 8.250 nan 0.000 0.445 41 D N 1.090 121.494 120.400 0.007 0.000 3.087 41 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 41 D C -0.835 175.471 176.300 0.011 0.000 1.030 41 D CA 0.544 54.548 54.000 0.006 0.000 0.976 41 D CB -1.221 39.582 40.800 0.004 0.000 1.063 41 D HN 0.602 nan 8.370 nan 0.000 0.443 42 I N 1.315 121.893 120.570 0.014 0.000 2.330 42 I HA 0.253 4.422 4.170 -0.000 0.000 0.289 42 I C 0.236 176.362 176.117 0.015 0.000 1.001 42 I CA -0.185 61.124 61.300 0.016 0.000 1.193 42 I CB 1.364 39.376 38.000 0.020 0.000 1.345 42 I HN -0.194 nan 8.210 nan 0.000 0.461 43 K N 5.842 126.251 120.400 0.015 0.000 2.378 43 K HA 0.391 4.711 4.320 -0.000 0.000 0.252 43 K C -0.407 176.203 176.600 0.016 0.000 0.931 43 K CA -0.589 55.706 56.287 0.014 0.000 0.794 43 K CB 1.107 33.614 32.500 0.011 0.000 1.181 43 K HN 0.554 nan 8.250 nan 0.000 0.425 44 N N 2.191 120.901 118.700 0.017 0.000 2.671 44 N HA -0.242 4.498 4.740 -0.000 0.000 0.261 44 N C -1.366 174.160 175.510 0.028 0.000 1.053 44 N CA 0.555 53.617 53.050 0.020 0.000 0.732 44 N CB -0.627 37.871 38.487 0.018 0.000 0.887 44 N HN 0.367 nan 8.380 nan 0.000 0.546 45 L N 0.952 122.194 121.223 0.031 0.000 2.342 45 L HA 0.540 4.879 4.340 -0.000 0.000 0.276 45 L C -0.237 176.668 176.870 0.059 0.000 0.997 45 L CA -0.695 54.171 54.840 0.044 0.000 0.838 45 L CB 1.672 43.754 42.059 0.038 0.000 1.224 45 L HN 0.049 nan 8.230 nan 0.000 0.416 46 V N 2.647 122.607 119.914 0.076 0.000 2.960 46 V HA 0.691 4.810 4.120 -0.000 0.000 0.315 46 V C 0.087 176.268 176.094 0.145 0.000 1.087 46 V CA -0.943 61.408 62.300 0.084 0.000 0.982 46 V CB 1.631 33.490 31.823 0.060 0.000 1.039 46 V HN 0.410 nan 8.190 nan 0.000 0.437 47 V N 2.156 122.155 119.914 0.143 0.000 2.999 47 V HA 0.649 4.769 4.120 -0.000 0.000 0.307 47 V C 1.094 177.294 176.094 0.178 0.000 1.084 47 V CA 1.197 63.615 62.300 0.197 0.000 1.155 47 V CB 0.453 32.264 31.823 -0.021 0.000 0.975 47 V HN 1.451 nan 8.190 nan 0.000 0.490 48 G N 1.484 110.434 108.800 0.249 0.000 2.649 48 G HA2 0.574 4.534 3.960 -0.000 0.000 0.290 48 G HA3 0.574 4.534 3.960 -0.000 0.000 0.290 48 G C -2.217 172.860 174.900 0.295 0.000 1.426 48 G CA -0.504 44.727 45.100 0.219 0.000 0.794 48 G HN 0.702 nan 8.290 nan 0.000 0.483 49 Y N 0.659 120.996 120.300 0.060 0.000 2.307 49 Y HA 0.563 5.113 4.550 -0.000 0.000 0.323 49 Y C -0.565 175.290 175.900 -0.076 0.000 1.100 49 Y CA -1.262 56.792 58.100 -0.077 0.000 1.140 49 Y CB 1.102 39.485 38.460 -0.129 0.000 1.159 49 Y HN 0.504 nan 8.280 nan 0.000 0.436 50 I N 7.523 127.716 120.570 -0.628 0.000 2.494 50 I HA 0.039 4.209 4.170 -0.000 0.000 0.289 50 I C 0.932 176.590 176.117 -0.765 0.000 1.106 50 I CA 0.557 61.565 61.300 -0.486 0.000 1.369 50 I CB 1.252 39.069 38.000 -0.305 0.000 1.410 50 I HN 0.825 nan 8.210 nan 0.000 0.523 51 Q N 3.699 123.233 119.800 -0.444 0.000 2.033 51 Q HA -0.051 4.289 4.340 -0.000 0.000 0.196 51 Q C 0.722 176.609 176.000 -0.188 0.000 0.970 51 Q CA 1.097 56.731 55.803 -0.281 0.000 0.828 51 Q CB 0.245 28.949 28.738 -0.057 0.000 0.895 51 Q HN 0.819 nan 8.270 nan 0.000 0.440 52 S N -0.856 114.761 115.700 -0.139 0.000 2.618 52 S HA 0.553 5.023 4.470 -0.000 0.000 0.277 52 S C -1.343 173.204 174.600 -0.088 0.000 1.138 52 S CA -0.957 57.185 58.200 -0.096 0.000 0.844 52 S CB 2.269 65.436 63.200 -0.055 0.000 1.127 52 S HN -0.042 nan 8.310 nan 0.000 0.474 53 K N 1.377 121.735 120.400 -0.069 0.000 2.601 53 K HA 0.432 4.752 4.320 -0.000 0.000 0.249 53 K C -1.016 175.559 176.600 -0.042 0.000 0.966 53 K CA -0.369 55.882 56.287 -0.060 0.000 0.827 53 K CB 1.915 34.374 32.500 -0.069 0.000 1.178 53 K HN 0.749 nan 8.250 nan 0.000 0.437 54 E N 1.940 122.120 120.200 -0.034 0.000 3.032 54 E HA 0.550 4.900 4.350 -0.000 0.000 0.229 54 E C -0.401 176.186 176.600 -0.022 0.000 0.857 54 E CA -0.412 55.973 56.400 -0.025 0.000 1.257 54 E CB 0.914 30.602 29.700 -0.020 0.000 1.676 54 E HN 0.507 nan 8.360 nan 0.000 0.480 63 N N 1.895 120.586 118.700 -0.014 0.000 2.425 63 N HA 0.675 5.414 4.740 -0.000 0.000 0.268 63 N C -0.589 174.910 175.510 -0.019 0.000 0.991 63 N CA -0.393 52.645 53.050 -0.019 0.000 0.931 63 N CB 1.580 40.052 38.487 -0.024 0.000 1.130 63 N HN 0.585 nan 8.380 nan 0.000 0.493 64 I N 2.599 123.157 120.570 -0.019 0.000 2.406 64 I HA 0.110 4.280 4.170 -0.000 0.000 0.293 64 I C -0.174 175.926 176.117 -0.028 0.000 1.101 64 I CA -0.283 61.005 61.300 -0.020 0.000 1.334 64 I CB -0.635 37.354 38.000 -0.017 0.000 1.421 64 I HN 0.405 nan 8.210 nan 0.000 0.513 65 C N 5.615 124.897 119.300 -0.031 0.000 2.366 65 C HA 0.351 4.811 4.460 -0.000 0.000 0.345 65 C C 0.452 175.418 174.990 -0.041 0.000 1.209 65 C CA -0.794 58.197 59.018 -0.045 0.000 2.050 65 C CB 1.352 29.061 27.740 -0.050 0.000 2.359 65 C HN 0.587 nan 8.230 nan 0.000 0.527 66 Q N 1.925 121.691 119.800 -0.056 0.000 2.563 66 Q HA 0.281 4.621 4.340 -0.000 0.000 0.232 66 Q C -0.692 175.272 176.000 -0.059 0.000 1.106 66 Q CA -0.058 55.719 55.803 -0.044 0.000 0.913 66 Q CB 1.140 29.854 28.738 -0.040 0.000 1.175 66 Q HN 0.626 nan 8.270 nan 0.000 0.540 67 V N 2.244 122.138 119.914 -0.034 0.000 2.389 67 V HA 0.009 4.129 4.120 -0.000 0.000 0.264 67 V C 0.445 176.556 176.094 0.029 0.000 1.049 67 V CA -0.619 61.672 62.300 -0.015 0.000 0.932 67 V CB 0.796 32.624 31.823 0.008 0.000 1.011 67 V HN 0.507 nan 8.190 nan 0.000 0.475 68 D N 5.228 125.666 120.400 0.062 0.000 2.402 68 D HA -0.016 4.624 4.640 -0.000 0.000 0.268 68 D C 0.831 177.196 176.300 0.108 0.000 1.294 68 D CA -0.006 54.053 54.000 0.100 0.000 0.945 68 D CB 0.430 41.325 40.800 0.159 0.000 1.112 68 D HN 0.524 nan 8.370 nan 0.000 0.517 69 I N 1.447 122.063 120.570 0.077 0.000 3.801 69 I HA 0.382 4.552 4.170 -0.000 0.000 0.338 69 I C 0.990 177.142 176.117 0.057 0.000 1.513 69 I CA -0.164 61.181 61.300 0.075 0.000 1.197 69 I CB -0.509 37.528 38.000 0.062 0.000 1.300 69 I HN 0.565 nan 8.210 nan 0.000 0.433 70 G N 1.547 110.381 108.800 0.057 0.000 2.179 70 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 70 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 70 G C 0.040 174.955 174.900 0.025 0.000 0.977 70 G CA 0.383 45.505 45.100 0.036 0.000 0.641 70 G HN 0.624 nan 8.290 nan 0.000 0.533 71 E N -0.305 119.912 120.200 0.029 0.000 2.280 71 E HA 0.471 4.821 4.350 -0.000 0.000 0.261 71 E C 1.286 177.898 176.600 0.020 0.000 1.088 71 E CA -0.216 56.197 56.400 0.021 0.000 0.915 71 E CB 0.515 30.228 29.700 0.021 0.000 1.141 71 E HN 0.333 nan 8.360 nan 0.000 0.433 72 E N 0.558 120.767 120.200 0.015 0.000 2.147 72 E HA -0.214 4.135 4.350 -0.000 0.000 0.199 72 E C 0.203 176.813 176.600 0.016 0.000 1.005 72 E CA 1.289 57.697 56.400 0.013 0.000 0.810 72 E CB 0.055 29.760 29.700 0.009 0.000 0.736 72 E HN 0.232 nan 8.360 nan 0.000 0.460 73 E N -0.314 119.896 120.200 0.017 0.000 2.256 73 E HA 0.283 4.633 4.350 -0.000 0.000 0.267 73 E C -2.639 173.974 176.600 0.023 0.000 0.892 73 E CA -3.077 53.334 56.400 0.018 0.000 0.775 73 E CB 1.266 30.974 29.700 0.013 0.000 1.207 73 E HN -0.244 nan 8.360 nan 0.000 0.420 74 P HA -0.002 nan 4.420 nan 0.000 0.267 74 P C -0.933 176.377 177.300 0.016 0.000 1.200 74 P CA -0.237 62.877 63.100 0.023 0.000 0.772 74 P CB 0.364 32.074 31.700 0.017 0.000 0.855 75 V N 0.034 119.957 119.914 0.016 0.000 2.713 75 V HA 0.464 4.584 4.120 -0.000 0.000 0.307 75 V C -0.167 175.930 176.094 0.004 0.000 1.052 75 V CA -0.924 61.383 62.300 0.011 0.000 0.967 75 V CB 1.376 33.209 31.823 0.016 0.000 1.019 75 V HN 0.460 nan 8.190 nan 0.000 0.459 76 Q N 2.390 122.191 119.800 0.002 0.000 2.303 76 Q HA 0.677 5.016 4.340 -0.000 0.000 0.257 76 Q C -1.241 174.758 176.000 -0.002 0.000 0.941 76 Q CA -0.414 55.387 55.803 -0.003 0.000 0.931 76 Q CB 1.245 29.980 28.738 -0.004 0.000 1.215 76 Q HN 0.842 nan 8.270 nan 0.000 0.437 77 I N 3.916 124.483 120.570 -0.005 0.000 2.418 77 I HA 0.289 4.459 4.170 -0.000 0.000 0.287 77 I C -0.675 175.438 176.117 -0.007 0.000 1.008 77 I CA -0.953 60.346 61.300 -0.002 0.000 1.104 77 I CB 1.991 39.992 38.000 0.002 0.000 1.264 77 I HN 0.360 nan 8.210 nan 0.000 0.438 78 V N 5.608 125.519 119.914 -0.004 0.000 2.530 78 V HA 0.280 4.400 4.120 -0.000 0.000 0.282 78 V C -0.280 175.811 176.094 -0.004 0.000 1.048 78 V CA -0.029 62.267 62.300 -0.006 0.000 0.997 78 V CB 1.261 33.082 31.823 -0.004 0.000 0.987 78 V HN 0.921 nan 8.190 nan 0.000 0.477 79 C N 3.999 123.295 119.300 -0.007 0.000 2.832 79 C HA 0.671 5.131 4.460 -0.000 0.000 0.383 79 C C 0.792 175.777 174.990 -0.008 0.000 1.046 79 C CA -0.086 58.928 59.018 -0.006 0.000 1.242 79 C CB 0.744 28.481 27.740 -0.005 0.000 1.693 79 C HN 1.023 nan 8.230 nan 0.000 0.497 80 G N 3.574 112.370 108.800 -0.006 0.000 3.805 80 G HA2 0.551 4.511 3.960 -0.000 0.000 0.290 80 G HA3 0.551 4.511 3.960 -0.000 0.000 0.290 80 G C 0.582 175.478 174.900 -0.006 0.000 1.077 80 G CA 0.665 45.761 45.100 -0.007 0.000 0.852 80 G HN 1.446 nan 8.290 nan 0.000 0.531 81 A N 0.925 123.742 122.820 -0.005 0.000 2.425 81 A HA 0.571 4.890 4.320 -0.000 0.000 0.242 81 A C -0.466 177.113 177.584 -0.009 0.000 1.077 81 A CA -0.734 51.300 52.037 -0.004 0.000 0.781 81 A CB 0.818 19.818 19.000 -0.000 0.000 1.020 81 A HN 0.163 nan 8.150 nan 0.000 0.494 82 P HA -0.063 nan 4.420 nan 0.000 0.213 82 P C -0.042 177.249 177.300 -0.016 0.000 1.170 82 P CA 1.093 64.186 63.100 -0.011 0.000 0.893 82 P CB 0.062 31.758 31.700 -0.008 0.000 0.784 83 N N 0.020 118.708 118.700 -0.019 0.000 2.816 83 N HA 0.303 5.042 4.740 -0.000 0.000 0.236 83 N C -1.278 174.211 175.510 -0.035 0.000 1.076 83 N CA -0.083 52.950 53.050 -0.027 0.000 0.902 83 N CB 1.879 40.348 38.487 -0.030 0.000 1.149 83 N HN -0.080 nan 8.380 nan 0.000 0.506 84 V N 1.543 121.436 119.914 -0.035 0.000 2.623 84 V HA 0.473 4.593 4.120 -0.000 0.000 0.304 84 V C -1.340 174.724 176.094 -0.049 0.000 1.054 84 V CA -0.442 61.833 62.300 -0.042 0.000 0.882 84 V CB 2.406 34.209 31.823 -0.033 0.000 1.002 84 V HN 0.434 nan 8.190 nan 0.000 0.424 85 D N 3.389 123.751 120.400 -0.064 0.000 2.752 85 D HA 0.721 5.360 4.640 -0.000 0.000 0.313 85 D C -0.364 175.867 176.300 -0.115 0.000 1.225 85 D CA 0.112 54.067 54.000 -0.075 0.000 0.976 85 D CB 2.609 43.374 40.800 -0.059 0.000 1.443 85 D HN 0.806 nan 8.370 nan 0.000 0.515 86 A N -1.116 121.626 122.820 -0.131 0.000 2.313 86 A HA 0.566 4.885 4.320 -0.000 0.000 0.261 86 A C 1.120 178.582 177.584 -0.204 0.000 1.090 86 A CA 0.913 52.821 52.037 -0.215 0.000 0.807 86 A CB 0.233 19.120 19.000 -0.188 0.000 1.055 86 A HN 1.032 nan 8.150 nan 0.000 0.492 87 G N -0.816 107.776 108.800 -0.348 0.000 2.253 87 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.251 87 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.251 87 G C 0.289 175.159 174.900 -0.050 0.000 0.998 87 G CA 0.620 45.663 45.100 -0.095 0.000 0.621 87 G HN 0.911 nan 8.290 nan 0.000 0.524 88 Q N 1.531 121.227 119.800 -0.174 0.000 2.293 88 Q HA 0.342 4.682 4.340 -0.000 0.000 0.263 88 Q C -0.077 175.888 176.000 -0.058 0.000 1.002 88 Q CA -0.347 55.414 55.803 -0.070 0.000 0.910 88 Q CB 0.402 29.094 28.738 -0.077 0.000 1.185 88 Q HN 0.560 nan 8.270 nan 0.000 0.401 89 H N 2.072 121.300 119.070 0.263 0.000 2.767 89 H HA 0.223 4.779 4.556 -0.000 0.000 0.316 89 H C 0.202 175.775 175.328 0.409 0.000 1.059 89 H CA -0.106 56.152 56.048 0.350 0.000 1.461 89 H CB 0.406 30.356 29.762 0.314 0.000 1.475 89 H HN 0.440 nan 8.280 nan 0.000 0.531 90 V N 1.324 121.520 119.914 0.470 0.000 3.119 90 V HA 0.494 4.613 4.120 -0.000 0.000 0.311 90 V C -0.298 176.047 176.094 0.419 0.000 1.259 90 V CA -1.130 61.369 62.300 0.333 0.000 1.067 90 V CB 2.652 34.560 31.823 0.142 0.000 1.123 90 V HN 0.429 nan 8.190 nan 0.000 0.463 91 I N 1.765 122.503 120.570 0.280 0.000 2.339 91 I HA 0.565 4.735 4.170 -0.000 0.000 0.290 91 I C -0.737 175.469 176.117 0.148 0.000 0.994 91 I CA -0.390 61.053 61.300 0.237 0.000 1.191 91 I CB 1.536 39.616 38.000 0.132 0.000 1.343 91 I HN 0.507 nan 8.210 nan 0.000 0.458 92 V N 5.883 125.877 119.914 0.133 0.000 2.444 92 V HA 0.501 4.621 4.120 -0.000 0.000 0.294 92 V C 0.396 176.529 176.094 0.066 0.000 1.022 92 V CA -0.852 61.500 62.300 0.088 0.000 0.850 92 V CB 1.702 33.576 31.823 0.085 0.000 0.992 92 V HN 0.818 nan 8.190 nan 0.000 0.426 93 A N 5.215 128.064 122.820 0.048 0.000 2.506 93 A HA 0.463 4.782 4.320 -0.000 0.000 0.320 93 A C 0.489 178.092 177.584 0.031 0.000 1.424 93 A CA -0.450 51.609 52.037 0.036 0.000 1.044 93 A CB -0.271 18.746 19.000 0.028 0.000 1.140 93 A HN 0.846 nan 8.150 nan 0.000 0.538 94 K N 0.981 121.399 120.400 0.031 0.000 2.402 94 K HA 0.137 4.457 4.320 -0.000 0.000 0.265 94 K C 0.145 176.757 176.600 0.020 0.000 0.978 94 K CA -0.247 56.056 56.287 0.026 0.000 0.913 94 K CB 0.310 32.825 32.500 0.024 0.000 0.954 94 K HN 0.413 nan 8.250 nan 0.000 0.511 95 V N 1.713 121.638 119.914 0.017 0.000 2.681 95 V HA -0.038 4.082 4.120 -0.000 0.000 0.306 95 V C 1.491 177.593 176.094 0.013 0.000 1.077 95 V CA 1.730 64.038 62.300 0.013 0.000 1.224 95 V CB -0.022 31.808 31.823 0.011 0.000 0.879 95 V HN 1.106 nan 8.190 nan 0.000 0.494 96 G N 3.168 111.974 108.800 0.011 0.000 2.159 96 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.256 96 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.256 96 G C 0.502 175.409 174.900 0.011 0.000 0.977 96 G CA 0.145 45.251 45.100 0.010 0.000 0.652 96 G HN 1.372 nan 8.290 nan 0.000 0.531 97 G N -1.184 107.624 108.800 0.013 0.000 2.532 97 G HA2 0.714 4.673 3.960 -0.000 0.000 0.291 97 G HA3 0.714 4.673 3.960 -0.000 0.000 0.291 97 G C -0.045 174.863 174.900 0.013 0.000 1.349 97 G CA -0.503 44.605 45.100 0.014 0.000 1.038 97 G HN 0.397 nan 8.290 nan 0.000 0.518 98 R N -1.638 118.869 120.500 0.013 0.000 2.764 98 R HA 0.561 4.900 4.340 -0.000 0.000 0.270 98 R C -1.424 174.883 176.300 0.012 0.000 1.014 98 R CA -0.566 55.541 56.100 0.011 0.000 0.904 98 R CB 1.937 32.243 30.300 0.010 0.000 1.236 98 R HN 0.635 nan 8.270 nan 0.000 0.466 99 L N -1.540 119.689 121.223 0.010 0.000 2.518 99 L HA 0.680 5.020 4.340 -0.000 0.000 0.257 99 L C -2.788 174.087 176.870 0.008 0.000 0.980 99 L CA -2.092 52.754 54.840 0.010 0.000 0.837 99 L CB 2.035 44.100 42.059 0.010 0.000 1.410 99 L HN 0.358 nan 8.230 nan 0.000 0.410 100 P HA 0.209 nan 4.420 nan 0.000 0.270 100 P C 0.804 178.108 177.300 0.006 0.000 1.227 100 P CA 1.190 64.294 63.100 0.006 0.000 0.788 100 P CB 0.889 32.594 31.700 0.009 0.000 0.926 101 G N -0.736 108.066 108.800 0.004 0.000 2.284 101 G HA2 0.002 3.962 3.960 -0.000 0.000 0.230 101 G HA3 0.002 3.962 3.960 -0.000 0.000 0.230 101 G C 0.476 175.378 174.900 0.003 0.000 1.021 101 G CA 0.307 45.410 45.100 0.004 0.000 0.619 101 G HN 1.055 nan 8.290 nan 0.000 0.510 102 G N -0.393 108.409 108.800 0.003 0.000 2.233 102 G HA2 0.446 4.406 3.960 -0.000 0.000 0.162 102 G HA3 0.446 4.406 3.960 -0.000 0.000 0.162 102 G C 0.078 174.980 174.900 0.004 0.000 1.327 102 G CA 0.151 45.253 45.100 0.003 0.000 1.187 102 G HN 1.930 nan 8.290 nan 0.000 0.479 103 I N -0.160 120.413 120.570 0.005 0.000 8.880 103 I HA -0.111 4.059 4.170 -0.000 0.000 0.126 103 I C -0.211 175.910 176.117 0.006 0.000 1.837 103 I CA 1.393 62.696 61.300 0.006 0.000 2.080 103 I CB -0.904 37.100 38.000 0.006 0.000 3.865 103 I HN 1.035 nan 8.210 nan 0.000 0.182 104 K N 5.218 125.622 120.400 0.007 0.000 2.543 104 K HA 0.874 5.194 4.320 -0.000 0.000 0.255 104 K C -1.428 175.177 176.600 0.008 0.000 0.934 104 K CA -1.126 55.165 56.287 0.008 0.000 0.810 104 K CB 2.917 35.421 32.500 0.007 0.000 1.315 104 K HN 0.413 nan 8.250 nan 0.000 0.433 105 I N 2.634 123.210 120.570 0.009 0.000 2.433 105 I HA 0.421 4.591 4.170 -0.000 0.000 0.292 105 I C -0.878 175.244 176.117 0.010 0.000 1.001 105 I CA -0.157 61.149 61.300 0.010 0.000 1.119 105 I CB 1.387 39.394 38.000 0.011 0.000 1.289 105 I HN 0.799 nan 8.210 nan 0.000 0.438 106 K N 6.730 127.135 120.400 0.008 0.000 2.149 106 K HA 0.540 4.859 4.320 -0.000 0.000 0.241 106 K C -0.970 175.635 176.600 0.007 0.000 1.083 106 K CA -0.664 55.627 56.287 0.008 0.000 0.885 106 K CB 0.631 33.135 32.500 0.007 0.000 1.374 106 K HN 0.440 nan 8.250 nan 0.000 0.511 107 R N 0.796 121.300 120.500 0.007 0.000 2.457 107 R HA 0.272 4.612 4.340 -0.000 0.000 0.335 107 R C 0.243 176.546 176.300 0.005 0.000 1.003 107 R CA 0.011 56.115 56.100 0.006 0.000 1.003 107 R CB -0.556 29.747 30.300 0.005 0.000 0.950 107 R HN 0.667 nan 8.270 nan 0.000 0.428 108 A N 3.299 126.121 122.820 0.005 0.000 2.378 108 A HA 0.655 4.975 4.320 -0.000 0.000 0.293 108 A C 0.035 177.620 177.584 0.003 0.000 1.250 108 A CA -0.338 51.701 52.037 0.004 0.000 0.915 108 A CB 1.034 20.036 19.000 0.004 0.000 1.402 108 A HN 0.651 nan 8.150 nan 0.000 0.502 113 E N -0.341 119.858 120.200 -0.002 0.000 3.769 113 E HA 0.297 4.646 4.350 -0.000 0.000 0.265 113 E C 0.014 176.613 176.600 -0.002 0.000 1.260 113 E CA 0.240 56.639 56.400 -0.002 0.000 1.835 113 E CB 0.928 30.625 29.700 -0.004 0.000 1.819 113 E HN 0.522 nan 8.360 nan 0.000 0.824 114 R N 0.130 120.629 120.500 -0.002 0.000 4.963 114 R HA 0.126 4.466 4.340 -0.000 0.000 0.301 114 R C -1.718 174.582 176.300 -0.000 0.000 0.836 114 R CA 0.028 56.128 56.100 -0.000 0.000 1.344 114 R CB 0.427 30.726 30.300 -0.000 0.000 1.336 114 R HN 0.085 nan 8.270 nan 0.000 0.587 115 S N 2.201 117.902 115.700 0.001 0.000 2.596 115 S HA 0.409 4.879 4.470 -0.000 0.000 0.318 115 S C -1.036 173.567 174.600 0.005 0.000 1.097 115 S CA -0.514 57.688 58.200 0.002 0.000 1.080 115 S CB 1.138 64.340 63.200 0.002 0.000 0.991 115 S HN 0.456 nan 8.310 nan 0.000 0.471 116 E N 2.818 123.022 120.200 0.006 0.000 2.346 116 E HA 0.588 4.937 4.350 -0.000 0.000 0.239 116 E C 0.225 176.833 176.600 0.013 0.000 0.943 116 E CA -0.224 56.181 56.400 0.009 0.000 0.751 116 E CB 1.231 30.936 29.700 0.009 0.000 1.241 116 E HN 0.954 nan 8.360 nan 0.000 0.423 117 G N 2.229 111.038 108.800 0.014 0.000 2.712 117 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.683 117 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.683 117 G C -0.782 174.129 174.900 0.019 0.000 1.320 117 G CA -0.556 44.555 45.100 0.018 0.000 0.847 117 G HN 0.423 nan 8.290 nan 0.000 0.553 118 M N 0.392 120.006 119.600 0.024 0.000 2.213 118 M HA 0.677 5.157 4.480 -0.000 0.000 0.286 118 M C -0.630 175.690 176.300 0.033 0.000 1.008 118 M CA -0.912 54.402 55.300 0.024 0.000 0.937 118 M CB 1.249 33.861 32.600 0.020 0.000 1.600 118 M HN 0.547 nan 8.290 nan 0.000 0.450 119 I N 3.713 124.302 120.570 0.032 0.000 2.499 119 I HA 0.410 4.579 4.170 -0.000 0.000 0.296 119 I C -0.766 175.377 176.117 0.043 0.000 0.992 119 I CA -0.480 60.847 61.300 0.044 0.000 1.297 119 I CB 1.348 39.369 38.000 0.035 0.000 1.410 119 I HN 0.682 nan 8.210 nan 0.000 0.507 120 C N 4.041 123.377 119.300 0.061 0.000 2.431 120 C HA 0.432 4.892 4.460 -0.000 0.000 0.321 120 C C 0.818 175.854 174.990 0.076 0.000 1.202 120 C CA -0.710 58.339 59.018 0.052 0.000 1.398 120 C CB 0.898 28.658 27.740 0.034 0.000 2.047 120 C HN 0.905 nan 8.230 nan 0.000 0.465 121 S N 0.395 116.128 115.700 0.056 0.000 3.270 121 S HA 0.009 4.478 4.470 -0.000 0.000 0.267 121 S C 0.802 175.411 174.600 0.016 0.000 1.515 121 S CA 0.519 58.752 58.200 0.054 0.000 1.108 121 S CB -0.001 63.217 63.200 0.030 0.000 0.830 121 S HN 0.707 nan 8.310 nan 0.000 0.491 122 L N 0.161 121.380 121.223 -0.007 0.000 2.858 122 L HA 0.422 4.761 4.340 -0.000 0.000 0.251 122 L C 1.074 177.915 176.870 -0.049 0.000 1.149 122 L CA 0.717 55.516 54.840 -0.070 0.000 0.955 122 L CB 0.221 42.243 42.059 -0.063 0.000 1.289 122 L HN 0.757 nan 8.230 nan 0.000 0.542 123 Q N -2.045 117.745 119.800 -0.016 0.000 2.340 123 Q HA 0.005 4.345 4.340 -0.000 0.000 0.173 123 Q C 1.246 177.250 176.000 0.006 0.000 0.692 123 Q CA 0.364 56.168 55.803 0.002 0.000 0.904 123 Q CB 0.073 28.814 28.738 0.005 0.000 1.228 123 Q HN 0.185 nan 8.270 nan 0.000 0.387 124 E N 0.828 121.031 120.200 0.005 0.000 2.434 124 E HA -0.303 4.047 4.350 -0.000 0.000 0.245 124 E C 1.741 178.342 176.600 0.002 0.000 1.097 124 E CA 2.652 59.055 56.400 0.005 0.000 1.123 124 E CB -0.518 29.187 29.700 0.007 0.000 0.977 124 E HN 0.729 nan 8.360 nan 0.000 0.480 125 I N -4.175 116.389 120.570 -0.009 0.000 3.035 125 I HA 0.277 4.447 4.170 -0.000 0.000 0.271 125 I C 0.976 177.100 176.117 0.012 0.000 1.190 125 I CA 0.626 61.921 61.300 -0.009 0.000 1.472 125 I CB 0.810 38.785 38.000 -0.041 0.000 1.116 125 I HN 0.098 nan 8.210 nan 0.000 0.443 126 G N 3.075 111.884 108.800 0.016 0.000 2.602 126 G HA2 0.017 3.977 3.960 -0.000 0.000 0.291 126 G HA3 0.017 3.977 3.960 -0.000 0.000 0.291 126 G C -0.367 174.584 174.900 0.085 0.000 0.988 126 G CA -0.136 44.990 45.100 0.044 0.000 1.295 126 G HN 0.561 nan 8.290 nan 0.000 0.630 127 I N -1.591 119.011 120.570 0.053 0.000 4.200 127 I HA 0.942 5.112 4.170 -0.000 0.000 0.243 127 I C 0.755 176.913 176.117 0.069 0.000 1.441 127 I CA -0.944 60.402 61.300 0.076 0.000 1.105 127 I CB 1.198 39.208 38.000 0.017 0.000 1.562 127 I HN 0.296 nan 8.210 nan 0.000 0.617 128 S N -0.862 114.873 115.700 0.059 0.000 2.921 128 S HA 0.489 4.958 4.470 -0.000 0.000 0.315 128 S C -0.095 174.524 174.600 0.032 0.000 1.087 128 S CA -0.502 57.728 58.200 0.051 0.000 0.877 128 S CB 1.493 64.734 63.200 0.068 0.000 1.340 128 S HN 0.687 nan 8.310 nan 0.000 0.622 129 S N 1.277 116.994 115.700 0.028 0.000 2.596 129 S HA 0.161 4.631 4.470 -0.000 0.000 0.262 129 S C 0.484 175.096 174.600 0.021 0.000 1.218 129 S CA 0.585 58.798 58.200 0.021 0.000 0.998 129 S CB -0.345 62.866 63.200 0.019 0.000 1.060 129 S HN 0.922 nan 8.310 nan 0.000 0.552 130 N N -0.310 118.400 118.700 0.017 0.000 2.378 130 N HA -0.176 4.564 4.740 -0.000 0.000 0.239 130 N C 0.193 175.713 175.510 0.017 0.000 1.239 130 N CA 1.633 54.693 53.050 0.016 0.000 0.776 130 N CB -1.356 37.141 38.487 0.017 0.000 1.161 130 N HN 0.235 nan 8.380 nan 0.000 0.588 131 V N -1.921 118.004 119.914 0.017 0.000 3.356 131 V HA 0.210 4.330 4.120 -0.000 0.000 0.274 131 V C 0.444 176.539 176.094 0.002 0.000 1.631 131 V CA 0.119 62.428 62.300 0.015 0.000 1.025 131 V CB 0.988 32.829 31.823 0.031 0.000 0.840 131 V HN 0.245 nan 8.190 nan 0.000 0.419 132 V N 4.052 123.968 119.914 0.002 0.000 2.546 132 V HA 0.487 4.606 4.120 -0.000 0.000 0.284 132 V C -1.937 174.153 176.094 -0.006 0.000 1.050 132 V CA -1.369 60.927 62.300 -0.005 0.000 0.981 132 V CB 1.955 33.778 31.823 0.000 0.000 0.990 132 V HN 0.307 nan 8.190 nan 0.000 0.474 141 F N 5.200 125.103 119.950 -0.079 0.000 2.420 141 F HA 0.790 5.317 4.527 -0.000 0.000 0.352 141 F C -0.585 175.127 175.800 -0.145 0.000 1.108 141 F CA -0.334 57.587 58.000 -0.131 0.000 1.162 141 F CB 1.044 39.931 39.000 -0.188 0.000 1.118 141 F HN 0.387 nan 8.300 nan 0.000 0.510 142 V N 7.366 126.737 119.914 -0.905 0.000 2.435 142 V HA 0.264 4.384 4.120 -0.000 0.000 0.290 142 V C -0.275 175.190 176.094 -1.048 0.000 1.030 142 V CA -0.874 61.000 62.300 -0.710 0.000 0.881 142 V CB 1.224 32.853 31.823 -0.324 0.000 0.983 142 V HN 0.593 nan 8.190 nan 0.000 0.445 143 F N 5.602 125.298 119.950 -0.423 0.000 2.456 143 F HA 0.310 4.837 4.527 -0.000 0.000 0.358 143 F C -1.053 174.691 175.800 -0.092 0.000 1.095 143 F CA -1.349 56.550 58.000 -0.167 0.000 1.216 143 F CB 1.204 40.246 39.000 0.070 0.000 1.125 143 F HN 0.414 nan 8.300 nan 0.000 0.549 144 P HA -0.020 nan 4.420 nan 0.000 0.229 144 P C 0.032 177.391 177.300 0.098 0.000 1.160 144 P CA 0.794 63.932 63.100 0.063 0.000 0.777 144 P CB 0.001 31.728 31.700 0.045 0.000 0.814 145 T N -2.756 111.883 114.554 0.142 0.000 2.924 145 T HA 0.433 4.782 4.350 -0.000 0.000 0.291 145 T C -0.077 174.588 174.700 -0.059 0.000 1.045 145 T CA -0.983 61.148 62.100 0.051 0.000 1.015 145 T CB 1.830 70.725 68.868 0.045 0.000 1.103 145 T HN -0.001 nan 8.240 nan 0.000 0.496 146 E N 1.419 121.518 120.200 -0.167 0.000 2.261 146 E HA 0.430 4.779 4.350 -0.000 0.000 0.308 146 E C -0.620 175.501 176.600 -0.799 0.000 1.400 146 E CA -0.769 55.362 56.400 -0.449 0.000 1.542 146 E CB -0.369 29.252 29.700 -0.131 0.000 1.369 146 E HN 0.394 nan 8.360 nan 0.000 0.493 147 V N 2.038 121.428 119.914 -0.873 0.000 2.614 147 V HA 0.001 4.120 4.120 -0.000 0.000 0.291 147 V C 0.660 176.427 176.094 -0.545 0.000 1.049 147 V CA -0.470 61.446 62.300 -0.641 0.000 1.038 147 V CB 0.979 32.346 31.823 -0.760 0.000 0.980 147 V HN 0.603 nan 8.190 nan 0.000 0.481 148 E N 6.966 126.975 120.200 -0.319 0.000 2.614 148 E HA 0.012 4.362 4.350 -0.000 0.000 0.245 148 E C -2.391 174.153 176.600 -0.093 0.000 1.039 148 E CA -0.950 55.346 56.400 -0.173 0.000 0.948 148 E CB 0.218 29.841 29.700 -0.129 0.000 0.937 148 E HN 0.415 nan 8.360 nan 0.000 0.498 149 P HA -0.068 nan 4.420 nan 0.000 0.259 149 P C 0.628 177.948 177.300 0.033 0.000 1.163 149 P CA 1.534 64.682 63.100 0.081 0.000 0.760 149 P CB 0.595 32.374 31.700 0.133 0.000 0.762 150 G N 1.897 110.721 108.800 0.040 0.000 2.258 150 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.233 150 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.233 150 G C 0.266 175.167 174.900 0.002 0.000 1.006 150 G CA 0.124 45.239 45.100 0.024 0.000 0.620 150 G HN 0.613 nan 8.290 nan 0.000 0.511 151 T N 2.404 116.943 114.554 -0.025 0.000 2.830 151 T HA 0.220 4.570 4.350 -0.000 0.000 0.282 151 T C 0.404 175.095 174.700 -0.014 0.000 1.024 151 T CA 0.815 62.887 62.100 -0.047 0.000 1.144 151 T CB 0.717 69.521 68.868 -0.106 0.000 1.035 151 T HN 0.470 nan 8.240 nan 0.000 0.507 152 D N 1.502 121.892 120.400 -0.017 0.000 2.533 152 D HA 0.028 4.667 4.640 -0.000 0.000 0.236 152 D C 0.959 177.269 176.300 0.017 0.000 1.137 152 D CA 0.193 54.193 54.000 -0.000 0.000 0.867 152 D CB 0.675 41.464 40.800 -0.017 0.000 1.170 152 D HN 0.624 nan 8.370 nan 0.000 0.474 153 A N 4.474 127.331 122.820 0.062 0.000 1.911 153 A HA -0.020 4.300 4.320 -0.000 0.000 0.212 153 A C 2.379 180.033 177.584 0.117 0.000 1.189 153 A CA 0.260 52.387 52.037 0.150 0.000 0.639 153 A CB -0.232 18.869 19.000 0.169 0.000 0.839 153 A HN 0.693 nan 8.150 nan 0.000 0.449 154 L N -0.371 120.877 121.223 0.041 0.000 2.046 154 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 154 L C 2.763 179.617 176.870 -0.027 0.000 1.077 154 L CA 1.679 56.522 54.840 0.005 0.000 0.747 154 L CB -0.927 41.134 42.059 0.004 0.000 0.896 154 L HN 0.338 nan 8.230 nan 0.000 0.432 155 T N 0.208 114.731 114.554 -0.051 0.000 2.536 155 T HA -0.342 4.008 4.350 -0.000 0.000 0.263 155 T C 1.954 176.527 174.700 -0.212 0.000 1.115 155 T CA 1.888 63.905 62.100 -0.137 0.000 1.180 155 T CB -0.493 68.305 68.868 -0.117 0.000 0.864 155 T HN 0.487 nan 8.240 nan 0.000 0.419 156 A N 0.667 123.431 122.820 -0.092 0.000 2.032 156 A HA -0.013 4.306 4.320 -0.000 0.000 0.221 156 A C 2.131 179.818 177.584 0.171 0.000 1.165 156 A CA 1.344 53.369 52.037 -0.019 0.000 0.645 156 A CB -0.791 18.189 19.000 -0.034 0.000 0.807 156 A HN 0.531 nan 8.150 nan 0.000 0.453 157 L N -2.777 118.539 121.223 0.156 0.000 2.591 157 L HA 0.139 4.479 4.340 -0.000 0.000 0.228 157 L C -0.241 176.717 176.870 0.145 0.000 1.133 157 L CA -0.248 54.668 54.840 0.126 0.000 0.880 157 L CB -0.393 41.624 42.059 -0.070 0.000 1.033 157 L HN 0.424 nan 8.230 nan 0.000 0.450 158 Y N 0.129 120.446 120.300 0.029 0.000 2.983 158 Y HA -0.270 4.280 4.550 -0.000 0.000 0.185 158 Y C 0.651 176.519 175.900 -0.054 0.000 1.476 158 Y CA 0.245 58.347 58.100 0.002 0.000 0.866 158 Y CB -1.114 37.364 38.460 0.030 0.000 1.331 158 Y HN 0.169 nan 8.280 nan 0.000 0.403 159 L N -0.444 120.800 121.223 0.036 0.000 4.470 159 L HA 0.115 4.455 4.340 -0.000 0.000 0.444 159 L C 0.673 177.566 176.870 0.040 0.000 1.083 159 L CA -0.236 54.600 54.840 -0.008 0.000 1.613 159 L CB 0.214 42.232 42.059 -0.068 0.000 1.591 159 L HN 0.175 nan 8.230 nan 0.000 0.608 160 N N 1.942 120.653 118.700 0.019 0.000 3.167 160 N HA 0.069 4.809 4.740 -0.000 0.000 0.318 160 N C -0.971 174.570 175.510 0.051 0.000 1.268 160 N CA 0.665 53.727 53.050 0.021 0.000 1.197 160 N CB -0.248 38.226 38.487 -0.022 0.000 1.464 160 N HN 0.246 nan 8.380 nan 0.000 0.555 161 D N -0.594 119.865 120.400 0.097 0.000 2.655 161 D HA 0.292 4.931 4.640 -0.000 0.000 0.229 161 D C -1.270 175.133 176.300 0.170 0.000 1.229 161 D CA -0.399 53.679 54.000 0.129 0.000 0.807 161 D CB 1.294 42.181 40.800 0.145 0.000 1.514 161 D HN 0.042 nan 8.370 nan 0.000 0.444 162 Q N 0.851 120.733 119.800 0.137 0.000 2.337 162 Q HA 0.611 4.951 4.340 -0.000 0.000 0.266 162 Q C -0.907 175.175 176.000 0.136 0.000 1.023 162 Q CA -1.169 54.710 55.803 0.126 0.000 0.829 162 Q CB 2.759 31.537 28.738 0.066 0.000 1.306 162 Q HN 0.219 nan 8.270 nan 0.000 0.449 163 V N 3.085 123.084 119.914 0.142 0.000 2.427 163 V HA 0.352 4.472 4.120 -0.000 0.000 0.286 163 V C -0.043 176.070 176.094 0.032 0.000 1.034 163 V CA -0.502 61.864 62.300 0.110 0.000 0.893 163 V CB 1.246 33.181 31.823 0.187 0.000 0.982 163 V HN 0.764 nan 8.190 nan 0.000 0.452 164 M N 4.115 123.708 119.600 -0.011 0.000 2.120 164 M HA 0.340 4.820 4.480 -0.000 0.000 0.354 164 M C 0.144 176.386 176.300 -0.097 0.000 1.287 164 M CA 0.157 55.451 55.300 -0.010 0.000 1.103 164 M CB 0.748 33.376 32.600 0.047 0.000 1.623 164 M HN 0.654 nan 8.290 nan 0.000 0.471 165 E N 4.315 124.520 120.200 0.008 0.000 2.167 165 E HA 0.335 4.685 4.350 -0.000 0.000 0.284 165 E C -1.500 175.220 176.600 0.201 0.000 1.016 165 E CA -0.231 56.178 56.400 0.016 0.000 0.817 165 E CB 0.911 30.629 29.700 0.030 0.000 1.080 165 E HN 0.556 nan 8.360 nan 0.000 0.397 166 F N 2.644 122.602 119.950 0.013 0.000 2.404 166 F HA 0.148 4.675 4.527 -0.000 0.000 0.339 166 F C 0.548 176.354 175.800 0.011 0.000 1.105 166 F CA -1.116 56.891 58.000 0.011 0.000 1.087 166 F CB 1.286 40.289 39.000 0.006 0.000 1.143 166 F HN 0.419 nan 8.300 nan 0.000 0.491 167 D N 4.926 125.440 120.400 0.190 0.000 2.467 167 D HA 0.322 4.961 4.640 -0.000 0.000 0.220 167 D C -0.700 175.643 176.300 0.071 0.000 1.103 167 D CA -0.038 54.026 54.000 0.106 0.000 0.886 167 D CB 0.398 41.236 40.800 0.063 0.000 1.025 167 D HN 0.325 nan 8.370 nan 0.000 0.514 168 L N 2.263 123.540 121.223 0.091 0.000 2.379 168 L HA 0.465 4.805 4.340 -0.000 0.000 0.269 168 L C 0.913 177.805 176.870 0.036 0.000 1.084 168 L CA -0.599 54.274 54.840 0.056 0.000 0.802 168 L CB 1.583 43.701 42.059 0.098 0.000 1.175 168 L HN 0.352 nan 8.230 nan 0.000 0.448 169 T N -1.566 112.999 114.554 0.018 0.000 2.943 169 T HA 0.321 4.671 4.350 -0.000 0.000 0.284 169 T C -2.021 172.691 174.700 0.021 0.000 1.015 169 T CA -1.904 60.207 62.100 0.017 0.000 1.042 169 T CB 1.395 70.269 68.868 0.009 0.000 1.055 169 T HN 0.318 nan 8.240 nan 0.000 0.500 170 P HA -0.180 nan 4.420 nan 0.000 0.218 170 P C 1.287 178.598 177.300 0.019 0.000 1.147 170 P CA 1.061 64.173 63.100 0.021 0.000 0.827 170 P CB -0.076 31.636 31.700 0.019 0.000 0.778 171 N N -1.726 116.984 118.700 0.017 0.000 2.412 171 N HA -0.038 4.702 4.740 -0.000 0.000 0.184 171 N C 0.659 176.180 175.510 0.019 0.000 1.101 171 N CA 0.480 53.539 53.050 0.016 0.000 0.881 171 N CB -0.064 38.434 38.487 0.018 0.000 0.969 171 N HN 0.013 nan 8.380 nan 0.000 0.459 172 R N 0.850 121.363 120.500 0.021 0.000 3.130 172 R HA 0.384 4.724 4.340 -0.000 0.000 0.348 172 R C 0.771 177.093 176.300 0.036 0.000 1.241 172 R CA -0.494 55.621 56.100 0.025 0.000 1.141 172 R CB -0.304 30.002 30.300 0.009 0.000 1.453 172 R HN 0.235 nan 8.270 nan 0.000 0.590 173 A N 1.320 124.158 122.820 0.030 0.000 1.930 173 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 173 A C 1.673 179.280 177.584 0.038 0.000 1.175 173 A CA 1.596 53.650 52.037 0.030 0.000 0.627 173 A CB -0.187 18.823 19.000 0.017 0.000 0.815 173 A HN 0.528 nan 8.150 nan 0.000 0.443 174 D N 0.679 121.104 120.400 0.042 0.000 2.244 174 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 174 D C 1.517 177.861 176.300 0.072 0.000 1.006 174 D CA 1.677 55.717 54.000 0.067 0.000 0.888 174 D CB -0.373 40.469 40.800 0.069 0.000 0.912 174 D HN 0.453 nan 8.370 nan 0.000 0.452 175 A N 0.098 122.963 122.820 0.076 0.000 2.278 175 A HA 0.239 4.559 4.320 -0.000 0.000 0.212 175 A C 2.026 179.673 177.584 0.104 0.000 1.213 175 A CA -0.325 51.782 52.037 0.116 0.000 0.840 175 A CB -0.450 18.640 19.000 0.149 0.000 0.866 175 A HN 0.216 nan 8.150 nan 0.000 0.489 176 L N 1.156 122.406 121.223 0.045 0.000 2.682 176 L HA 0.101 4.440 4.340 -0.000 0.000 0.240 176 L C 0.665 177.490 176.870 -0.074 0.000 1.178 176 L CA 0.230 55.069 54.840 -0.000 0.000 0.970 176 L CB -0.464 41.596 42.059 0.001 0.000 1.179 176 L HN 0.507 nan 8.230 nan 0.000 0.435 177 S N -2.674 112.956 115.700 -0.117 0.000 2.556 177 S HA 0.405 4.875 4.470 -0.000 0.000 0.271 177 S C 0.582 174.971 174.600 -0.352 0.000 1.135 177 S CA -0.871 57.187 58.200 -0.236 0.000 0.858 177 S CB 1.587 64.667 63.200 -0.200 0.000 1.114 177 S HN -0.090 nan 8.310 nan 0.000 0.468 178 M N 1.463 120.715 119.600 -0.579 0.000 2.254 178 M HA 0.038 4.517 4.480 -0.000 0.000 0.265 178 M C 1.951 177.789 176.300 -0.770 0.000 1.066 178 M CA 1.106 55.959 55.300 -0.744 0.000 1.123 178 M CB -1.292 30.640 32.600 -1.113 0.000 1.388 178 M HN 0.665 nan 8.290 nan 0.000 0.425 179 V N -0.006 119.388 119.914 -0.866 0.000 2.488 179 V HA -0.069 4.050 4.120 -0.000 0.000 0.246 179 V C 2.549 178.466 176.094 -0.295 0.000 1.046 179 V CA 1.817 63.639 62.300 -0.797 0.000 1.053 179 V CB -1.084 30.107 31.823 -1.054 0.000 0.679 179 V HN 0.517 nan 8.190 nan 0.000 0.458 180 G N -0.487 108.229 108.800 -0.140 0.000 2.404 180 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 180 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 180 G C 1.686 176.636 174.900 0.083 0.000 1.174 180 G CA 1.408 46.577 45.100 0.115 0.000 0.780 180 G HN 0.433 nan 8.290 nan 0.000 0.537 181 T N 1.757 116.308 114.554 -0.005 0.000 2.759 181 T HA -0.047 4.303 4.350 -0.000 0.000 0.269 181 T C 2.745 177.453 174.700 0.013 0.000 1.042 181 T CA 1.506 63.633 62.100 0.045 0.000 1.140 181 T CB -0.311 68.587 68.868 0.051 0.000 0.864 181 T HN 0.373 nan 8.240 nan 0.000 0.455 182 A N 0.069 122.829 122.820 -0.100 0.000 1.930 182 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 182 A C 2.001 179.535 177.584 -0.084 0.000 1.175 182 A CA 1.181 53.150 52.037 -0.113 0.000 0.627 182 A CB -0.941 17.924 19.000 -0.225 0.000 0.815 182 A HN 0.608 nan 8.150 nan 0.000 0.443 183 Y N -0.547 119.738 120.300 -0.025 0.000 2.181 183 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 183 Y C 2.637 178.541 175.900 0.007 0.000 1.146 183 Y CA 1.510 59.614 58.100 0.006 0.000 1.164 183 Y CB -0.025 38.456 38.460 0.036 0.000 0.982 183 Y HN 0.397 nan 8.280 nan 0.000 0.515 184 E N 0.102 120.406 120.200 0.173 0.000 2.058 184 E HA -0.160 4.189 4.350 -0.000 0.000 0.194 184 E C 2.092 178.749 176.600 0.095 0.000 0.997 184 E CA 1.490 57.953 56.400 0.105 0.000 0.801 184 E CB -0.439 29.311 29.700 0.083 0.000 0.746 184 E HN 0.212 nan 8.360 nan 0.000 0.450 185 V N 0.405 120.383 119.914 0.108 0.000 2.591 185 V HA -0.080 4.040 4.120 -0.000 0.000 0.249 185 V C 2.238 178.437 176.094 0.176 0.000 1.053 185 V CA 1.303 63.696 62.300 0.155 0.000 1.068 185 V CB -0.573 31.328 31.823 0.129 0.000 0.689 185 V HN 0.409 nan 8.190 nan 0.000 0.462 186 A N 0.284 123.165 122.820 0.102 0.000 1.940 186 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 186 A C 2.427 180.064 177.584 0.088 0.000 1.176 186 A CA 2.098 54.186 52.037 0.085 0.000 0.631 186 A CB -0.676 18.350 19.000 0.043 0.000 0.814 186 A HN 0.548 nan 8.150 nan 0.000 0.446 187 A N 0.012 122.872 122.820 0.067 0.000 1.858 187 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 187 A C 2.119 179.702 177.584 -0.001 0.000 1.190 187 A CA 1.534 53.578 52.037 0.011 0.000 0.617 187 A CB -0.719 18.268 19.000 -0.021 0.000 0.827 187 A HN 0.490 nan 8.150 nan 0.000 0.443 188 L N -2.703 118.529 121.223 0.016 0.000 2.191 188 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 188 L C 1.694 178.405 176.870 -0.265 0.000 1.103 188 L CA 1.187 55.963 54.840 -0.106 0.000 0.769 188 L CB -0.404 41.601 42.059 -0.090 0.000 0.908 188 L HN 0.515 nan 8.230 nan 0.000 0.438 189 Y N -0.534 119.760 120.300 -0.011 0.000 2.557 189 Y HA 0.068 4.618 4.550 -0.000 0.000 0.247 189 Y C 0.820 176.712 175.900 -0.013 0.000 1.164 189 Y CA -0.761 57.332 58.100 -0.011 0.000 1.218 189 Y CB 0.125 38.581 38.460 -0.006 0.000 1.210 189 Y HN 0.213 nan 8.280 nan 0.000 0.529 190 Q N 0.092 119.938 119.800 0.076 0.000 2.349 190 Q HA -0.282 4.058 4.340 -0.000 0.000 0.340 190 Q C 0.026 176.060 176.000 0.056 0.000 1.268 190 Q CA 1.212 57.040 55.803 0.042 0.000 1.017 190 Q CB -2.039 26.700 28.738 0.001 0.000 1.258 190 Q HN 0.385 nan 8.270 nan 0.000 0.438 191 T N -1.063 113.539 114.554 0.080 0.000 2.864 191 T HA 0.410 4.760 4.350 -0.000 0.000 0.276 191 T C -0.546 174.176 174.700 0.036 0.000 1.006 191 T CA -0.570 61.561 62.100 0.052 0.000 0.970 191 T CB 1.477 70.374 68.868 0.049 0.000 1.420 191 T HN 0.353 nan 8.240 nan 0.000 0.601 192 E N 0.870 121.079 120.200 0.016 0.000 2.207 192 E HA 0.475 4.825 4.350 -0.000 0.000 0.270 192 E C -0.603 175.983 176.600 -0.024 0.000 0.927 192 E CA -0.608 55.795 56.400 0.005 0.000 0.799 192 E CB 1.895 31.599 29.700 0.005 0.000 1.172 192 E HN 0.638 nan 8.360 nan 0.000 0.404 193 M N -0.642 118.921 119.600 -0.060 0.000 2.644 193 M HA 0.614 5.094 4.480 -0.000 0.000 0.316 193 M C -0.618 175.616 176.300 -0.111 0.000 1.200 193 M CA -0.337 54.892 55.300 -0.118 0.000 0.944 193 M CB 1.796 34.242 32.600 -0.256 0.000 1.691 193 M HN 0.089 nan 8.290 nan 0.000 0.471 194 T N 0.462 114.974 114.554 -0.070 0.000 2.879 194 T HA 0.534 4.884 4.350 -0.000 0.000 0.290 194 T C -0.679 174.033 174.700 0.020 0.000 0.993 194 T CA -1.100 60.984 62.100 -0.026 0.000 0.975 194 T CB 1.167 70.030 68.868 -0.008 0.000 0.981 194 T HN 0.691 nan 8.240 nan 0.000 0.439 195 K N 2.554 122.956 120.400 0.002 0.000 2.126 195 K HA 0.554 4.873 4.320 -0.000 0.000 0.257 195 K C -2.248 174.420 176.600 0.113 0.000 1.007 195 K CA -1.620 54.682 56.287 0.025 0.000 0.928 195 K CB 0.294 32.811 32.500 0.028 0.000 1.013 195 K HN 0.356 nan 8.250 nan 0.000 0.473 196 P HA 0.165 nan 4.420 nan 0.000 0.284 196 P C -1.105 176.243 177.300 0.079 0.000 1.287 196 P CA -0.661 62.547 63.100 0.180 0.000 0.824 196 P CB 0.546 32.449 31.700 0.338 0.000 1.180 197 E N -0.346 119.828 120.200 -0.043 0.000 2.415 197 E HA 0.135 4.485 4.350 -0.000 0.000 0.263 197 E C 0.521 176.840 176.600 -0.468 0.000 0.995 197 E CA 0.558 56.750 56.400 -0.348 0.000 0.915 197 E CB 0.026 29.347 29.700 -0.632 0.000 0.951 197 E HN 0.502 nan 8.360 nan 0.000 0.449 198 T N 0.380 114.722 114.554 -0.353 0.000 2.958 198 T HA 0.158 4.507 4.350 -0.000 0.000 0.256 198 T C 0.203 174.824 174.700 -0.131 0.000 0.983 198 T CA -0.372 61.618 62.100 -0.183 0.000 0.924 198 T CB 0.168 69.004 68.868 -0.053 0.000 1.136 198 T HN 0.290 nan 8.240 nan 0.000 0.506 199 Q N 2.771 122.460 119.800 -0.185 0.000 2.323 199 Q HA 0.545 4.885 4.340 -0.000 0.000 0.257 199 Q C -0.350 175.739 176.000 0.148 0.000 1.022 199 Q CA -0.098 55.696 55.803 -0.016 0.000 0.919 199 Q CB 0.957 29.689 28.738 -0.009 0.000 1.220 199 Q HN 0.363 nan 8.270 nan 0.000 0.427 200 S N 1.984 117.819 115.700 0.225 0.000 2.681 200 S HA 0.419 4.888 4.470 -0.000 0.000 0.270 200 S C -0.298 174.390 174.600 0.147 0.000 1.209 200 S CA -0.958 57.397 58.200 0.259 0.000 0.988 200 S CB 0.555 63.873 63.200 0.197 0.000 1.006 200 S HN 0.548 nan 8.310 nan 0.000 0.558 201 N N 1.625 120.393 118.700 0.114 0.000 2.425 201 N HA 0.361 5.100 4.740 -0.000 0.000 0.268 201 N C -1.310 174.236 175.510 0.059 0.000 0.991 201 N CA -0.580 52.515 53.050 0.076 0.000 0.931 201 N CB 0.823 39.348 38.487 0.064 0.000 1.130 201 N HN 0.522 nan 8.380 nan 0.000 0.493 202 E N 0.028 120.260 120.200 0.053 0.000 2.156 202 E HA 0.236 4.585 4.350 -0.000 0.000 0.279 202 E C 0.036 176.658 176.600 0.038 0.000 0.965 202 E CA -1.033 55.395 56.400 0.047 0.000 0.789 202 E CB 0.776 30.506 29.700 0.049 0.000 1.098 202 E HN 0.557 nan 8.360 nan 0.000 0.397 203 T N 0.704 115.278 114.554 0.035 0.000 2.934 203 T HA -0.094 4.255 4.350 -0.000 0.000 0.321 203 T C 1.057 175.775 174.700 0.029 0.000 1.080 203 T CA 0.052 62.170 62.100 0.030 0.000 1.132 203 T CB 0.682 69.567 68.868 0.029 0.000 1.039 203 T HN 0.429 nan 8.240 nan 0.000 0.543 204 S N 2.404 118.119 115.700 0.026 0.000 2.428 204 S HA -0.141 4.329 4.470 -0.000 0.000 0.240 204 S C 0.838 175.453 174.600 0.025 0.000 1.036 204 S CA 1.684 59.899 58.200 0.024 0.000 1.009 204 S CB -0.615 62.597 63.200 0.021 0.000 0.803 204 S HN 0.937 nan 8.310 nan 0.000 0.486 205 E N 0.765 120.981 120.200 0.027 0.000 2.280 205 E HA 0.597 4.947 4.350 -0.000 0.000 0.261 205 E C -0.378 176.241 176.600 0.031 0.000 1.088 205 E CA -0.697 55.719 56.400 0.027 0.000 0.915 205 E CB 0.953 30.669 29.700 0.027 0.000 1.141 205 E HN 0.050 nan 8.360 nan 0.000 0.433 206 S N -0.551 115.167 115.700 0.032 0.000 2.542 206 S HA 0.505 4.975 4.470 -0.000 0.000 0.293 206 S C 0.238 174.860 174.600 0.037 0.000 1.089 206 S CA -0.227 57.994 58.200 0.035 0.000 0.961 206 S CB 1.525 64.745 63.200 0.033 0.000 1.062 206 S HN 0.633 nan 8.310 nan 0.000 0.483 207 A N 2.588 125.434 122.820 0.043 0.000 2.168 207 A HA 0.055 4.374 4.320 -0.000 0.000 0.215 207 A C 2.136 179.745 177.584 0.043 0.000 1.152 207 A CA 1.729 53.794 52.037 0.047 0.000 0.716 207 A CB -1.462 17.572 19.000 0.056 0.000 0.794 207 A HN 1.223 nan 8.150 nan 0.000 0.465 208 T N -0.616 113.961 114.554 0.039 0.000 2.759 208 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 208 T C 1.299 176.016 174.700 0.028 0.000 1.042 208 T CA 1.592 63.712 62.100 0.033 0.000 1.140 208 T CB -0.669 68.217 68.868 0.031 0.000 0.864 208 T HN 0.529 nan 8.240 nan 0.000 0.455 209 N N 1.267 119.983 118.700 0.028 0.000 2.461 209 N HA 0.041 4.781 4.740 -0.000 0.000 0.188 209 N C 1.217 176.741 175.510 0.024 0.000 1.134 209 N CA 0.462 53.526 53.050 0.023 0.000 0.878 209 N CB 0.190 38.690 38.487 0.022 0.000 0.972 209 N HN 0.639 nan 8.380 nan 0.000 0.456 210 E N -0.177 120.041 120.200 0.029 0.000 2.441 210 E HA 0.158 4.508 4.350 -0.000 0.000 0.212 210 E C -0.179 176.439 176.600 0.030 0.000 0.840 210 E CA -0.023 56.396 56.400 0.032 0.000 1.143 210 E CB 0.927 30.651 29.700 0.041 0.000 1.153 210 E HN 0.053 nan 8.360 nan 0.000 0.539 211 L N 0.530 121.772 121.223 0.031 0.000 2.482 211 L HA 0.447 4.786 4.340 -0.000 0.000 0.263 211 L C -1.290 175.596 176.870 0.027 0.000 0.957 211 L CA -0.637 54.223 54.840 0.034 0.000 0.836 211 L CB 2.219 44.310 42.059 0.053 0.000 1.324 211 L HN -0.100 nan 8.230 nan 0.000 0.406 212 S N 3.427 119.137 115.700 0.017 0.000 2.526 212 S HA 0.937 5.407 4.470 -0.000 0.000 0.293 212 S C -1.710 172.892 174.600 0.002 0.000 1.092 212 S CA -0.429 57.776 58.200 0.008 0.000 0.980 212 S CB 1.729 64.927 63.200 -0.004 0.000 1.048 212 S HN 0.473 nan 8.310 nan 0.000 0.483 213 V N 3.929 123.845 119.914 0.003 0.000 2.569 213 V HA 0.672 4.792 4.120 -0.000 0.000 0.301 213 V C -0.483 175.597 176.094 -0.024 0.000 1.044 213 V CA -0.439 61.856 62.300 -0.008 0.000 0.874 213 V CB 1.799 33.652 31.823 0.050 0.000 1.002 213 V HN 1.107 nan 8.190 nan 0.000 0.424 214 T N 2.509 117.029 114.554 -0.056 0.000 2.909 214 T HA 0.802 5.151 4.350 -0.000 0.000 0.299 214 T C -0.845 173.814 174.700 -0.067 0.000 1.073 214 T CA -0.629 61.444 62.100 -0.045 0.000 0.999 214 T CB 1.994 70.843 68.868 -0.032 0.000 1.098 214 T HN 0.272 nan 8.240 nan 0.000 0.477 215 I N 2.437 122.984 120.570 -0.037 0.000 2.330 215 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 215 I C 0.064 176.169 176.117 -0.020 0.000 1.001 215 I CA -0.671 60.611 61.300 -0.031 0.000 1.193 215 I CB 1.226 39.231 38.000 0.009 0.000 1.345 215 I HN 0.633 nan 8.210 nan 0.000 0.461 216 D N 3.534 123.915 120.400 -0.031 0.000 2.349 216 D HA -0.032 4.608 4.640 -0.000 0.000 0.224 216 D C 0.415 176.709 176.300 -0.011 0.000 1.029 216 D CA 0.705 54.692 54.000 -0.021 0.000 0.879 216 D CB -0.053 40.730 40.800 -0.029 0.000 0.906 216 D HN 0.559 nan 8.370 nan 0.000 0.528 217 N N -0.519 118.177 118.700 -0.006 0.000 2.679 217 N HA 0.150 4.889 4.740 -0.000 0.000 0.302 217 N C -2.484 173.042 175.510 0.027 0.000 1.941 217 N CA -1.443 51.611 53.050 0.006 0.000 0.875 217 N CB 1.197 39.682 38.487 -0.003 0.000 1.278 217 N HN -0.160 nan 8.380 nan 0.000 0.490 218 P HA -0.027 nan 4.420 nan 0.000 0.230 218 P C 0.505 177.837 177.300 0.053 0.000 1.158 218 P CA 0.990 64.119 63.100 0.048 0.000 0.769 218 P CB 0.367 32.091 31.700 0.040 0.000 0.807 219 E N -0.333 119.892 120.200 0.041 0.000 2.268 219 E HA -0.137 4.212 4.350 -0.000 0.000 0.195 219 E C 1.701 178.331 176.600 0.051 0.000 0.995 219 E CA 1.046 57.471 56.400 0.041 0.000 0.836 219 E CB -0.412 29.305 29.700 0.030 0.000 0.763 219 E HN 0.136 nan 8.360 nan 0.000 0.491 220 K N -0.365 120.070 120.400 0.059 0.000 2.412 220 K HA 0.235 4.555 4.320 -0.000 0.000 0.202 220 K C -0.797 175.876 176.600 0.121 0.000 1.102 220 K CA 0.073 56.403 56.287 0.071 0.000 1.027 220 K CB 1.358 33.885 32.500 0.045 0.000 0.931 220 K HN -0.081 nan 8.250 nan 0.000 0.557 221 V N 2.549 122.540 119.914 0.130 0.000 2.439 221 V HA 0.257 4.377 4.120 -0.000 0.000 0.277 221 V C -2.186 173.995 176.094 0.145 0.000 1.008 221 V CA -1.333 61.077 62.300 0.185 0.000 0.846 221 V CB 1.601 33.556 31.823 0.221 0.000 1.031 221 V HN 0.001 nan 8.190 nan 0.000 0.441 222 P HA -0.029 nan 4.420 nan 0.000 0.215 222 P C -0.283 177.158 177.300 0.236 0.000 1.157 222 P CA 0.991 64.184 63.100 0.155 0.000 0.856 222 P CB 0.320 32.102 31.700 0.136 0.000 0.786 223 Y N -1.234 119.098 120.300 0.053 0.000 2.391 223 Y HA 0.567 5.117 4.550 -0.000 0.000 0.341 223 Y C -1.219 174.725 175.900 0.073 0.000 0.965 223 Y CA -1.492 56.638 58.100 0.050 0.000 1.067 223 Y CB 1.254 39.722 38.460 0.014 0.000 1.199 223 Y HN -0.204 nan 8.280 nan 0.000 0.450 224 Y N 3.714 123.727 120.300 -0.478 0.000 2.492 224 Y HA 0.656 5.205 4.550 -0.000 0.000 0.346 224 Y C -0.795 174.728 175.900 -0.628 0.000 0.997 224 Y CA -0.283 57.580 58.100 -0.395 0.000 1.025 224 Y CB 1.835 40.226 38.460 -0.115 0.000 1.263 224 Y HN 0.656 nan 8.280 nan 0.000 0.454 225 S N 3.078 118.398 115.700 -0.634 0.000 2.643 225 S HA 0.975 5.445 4.470 -0.000 0.000 0.270 225 S C -1.731 172.751 174.600 -0.196 0.000 1.166 225 S CA -0.284 57.722 58.200 -0.323 0.000 0.815 225 S CB 1.532 64.554 63.200 -0.297 0.000 1.139 225 S HN 1.534 nan 8.310 nan 0.000 0.472 226 A N 0.844 123.652 122.820 -0.021 0.000 2.555 226 A HA 0.811 5.131 4.320 -0.000 0.000 0.297 226 A C -0.857 176.768 177.584 0.069 0.000 1.060 226 A CA -0.795 51.275 52.037 0.055 0.000 0.710 226 A CB 1.356 20.443 19.000 0.145 0.000 1.282 226 A HN 0.834 nan 8.150 nan 0.000 0.399 227 R N 0.171 120.716 120.500 0.075 0.000 2.923 227 R HA 0.827 5.167 4.340 -0.000 0.000 0.252 227 R C -1.302 175.048 176.300 0.083 0.000 1.130 227 R CA -0.879 55.266 56.100 0.074 0.000 1.043 227 R CB 2.298 32.638 30.300 0.066 0.000 1.205 227 R HN 0.457 nan 8.270 nan 0.000 0.495 228 V N 1.494 121.452 119.914 0.073 0.000 2.531 228 V HA 0.356 4.476 4.120 -0.000 0.000 0.301 228 V C -1.009 175.122 176.094 0.061 0.000 1.034 228 V CA -0.720 61.624 62.300 0.073 0.000 0.865 228 V CB 1.911 33.776 31.823 0.070 0.000 0.995 228 V HN 0.454 nan 8.190 nan 0.000 0.424 229 V N 5.946 125.895 119.914 0.058 0.000 2.407 229 V HA 0.593 4.713 4.120 -0.000 0.000 0.291 229 V C -0.312 175.806 176.094 0.040 0.000 1.018 229 V CA -0.521 61.806 62.300 0.045 0.000 0.842 229 V CB 1.647 33.493 31.823 0.038 0.000 0.996 229 V HN 0.906 nan 8.190 nan 0.000 0.426 230 K N 4.909 125.330 120.400 0.035 0.000 2.143 230 K HA 0.535 4.854 4.320 -0.000 0.000 0.272 230 K C -0.205 176.408 176.600 0.022 0.000 1.001 230 K CA -0.359 55.947 56.287 0.032 0.000 0.915 230 K CB 0.591 33.110 32.500 0.033 0.000 1.047 230 K HN 0.853 nan 8.250 nan 0.000 0.458 231 N N 0.714 119.427 118.700 0.022 0.000 2.623 231 N HA -0.132 4.608 4.740 -0.000 0.000 0.271 231 N C -1.314 174.198 175.510 0.003 0.000 1.206 231 N CA 0.643 53.701 53.050 0.013 0.000 0.666 231 N CB -1.087 37.408 38.487 0.012 0.000 0.887 231 N HN 0.329 nan 8.380 nan 0.000 0.554 232 V N -1.324 118.591 119.914 0.001 0.000 2.680 232 V HA 0.788 4.908 4.120 -0.000 0.000 0.309 232 V C 0.821 176.905 176.094 -0.017 0.000 1.052 232 V CA -0.781 61.513 62.300 -0.011 0.000 0.908 232 V CB 2.257 34.073 31.823 -0.011 0.000 1.001 232 V HN 0.454 nan 8.190 nan 0.000 0.431 233 S N 3.203 118.887 115.700 -0.028 0.000 3.158 233 S HA 0.538 5.008 4.470 -0.000 0.000 0.215 233 S C -0.067 174.509 174.600 -0.041 0.000 1.359 233 S CA -0.465 57.717 58.200 -0.031 0.000 0.974 233 S CB -0.670 62.511 63.200 -0.033 0.000 1.336 233 S HN 0.640 nan 8.310 nan 0.000 0.488 234 I N 3.296 123.843 120.570 -0.038 0.000 3.160 234 I HA -0.047 4.122 4.170 -0.000 0.000 0.311 234 I C 0.947 177.034 176.117 -0.050 0.000 1.218 234 I CA 1.561 62.833 61.300 -0.047 0.000 1.440 234 I CB 0.086 38.061 38.000 -0.041 0.000 1.310 234 I HN 0.931 nan 8.210 nan 0.000 0.575 235 E N 3.944 124.108 120.200 -0.060 0.000 1.060 235 E HA 0.324 4.674 4.350 -0.000 0.000 0.174 235 E C -2.921 173.632 176.600 -0.078 0.000 2.287 235 E CA -1.112 55.250 56.400 -0.062 0.000 1.334 235 E CB 0.183 29.848 29.700 -0.059 0.000 1.027 235 E HN 0.238 nan 8.360 nan 0.000 0.793 236 P HA 0.338 nan 4.420 nan 0.000 0.285 236 P C -0.897 176.313 177.300 -0.150 0.000 1.280 236 P CA -0.548 62.488 63.100 -0.107 0.000 0.862 236 P CB 1.479 33.127 31.700 -0.086 0.000 1.153 237 S N 0.884 116.459 115.700 -0.208 0.000 2.672 237 S HA 0.607 5.077 4.470 -0.000 0.000 0.276 237 S C -2.286 172.098 174.600 -0.360 0.000 1.207 237 S CA -1.224 56.781 58.200 -0.325 0.000 1.002 237 S CB -0.570 62.374 63.200 -0.427 0.000 0.998 237 S HN 0.364 nan 8.310 nan 0.000 0.542 238 P HA 0.186 nan 4.420 nan 0.000 0.272 238 P C 1.017 178.055 177.300 -0.436 0.000 1.254 238 P CA -0.541 62.304 63.100 -0.424 0.000 0.795 238 P CB 0.277 31.664 31.700 -0.521 0.000 1.022 239 I N 0.395 120.883 120.570 -0.137 0.000 2.315 239 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 239 I C 1.924 177.954 176.117 -0.144 0.000 1.117 239 I CA 0.863 62.143 61.300 -0.033 0.000 1.404 239 I CB -1.079 37.045 38.000 0.207 0.000 1.071 239 I HN 0.481 nan 8.210 nan 0.000 0.419 240 W N 0.138 121.248 121.300 -0.316 0.000 2.332 240 W HA -0.175 4.485 4.660 -0.000 0.000 0.321 240 W C 2.025 178.241 176.519 -0.505 0.000 1.219 240 W CA 1.397 58.334 57.345 -0.679 0.000 1.277 240 W CB -1.919 26.843 29.460 -1.162 0.000 1.161 240 W HN -0.054 nan 8.180 nan 0.000 0.476 241 V N 2.373 121.585 119.914 -1.170 0.000 2.370 241 V HA -0.369 3.751 4.120 -0.000 0.000 0.252 241 V C 2.894 178.671 176.094 -0.529 0.000 1.068 241 V CA 2.710 64.394 62.300 -1.027 0.000 1.061 241 V CB -1.092 29.935 31.823 -1.327 0.000 0.656 241 V HN 0.307 nan 8.190 nan 0.000 0.455 242 Q N -0.890 118.648 119.800 -0.436 0.000 2.049 242 Q HA -0.091 4.248 4.340 -0.000 0.000 0.198 242 Q C 2.455 178.340 176.000 -0.191 0.000 0.971 242 Q CA 1.549 57.199 55.803 -0.256 0.000 0.833 242 Q CB -0.304 28.319 28.738 -0.192 0.000 0.896 242 Q HN 0.693 nan 8.270 nan 0.000 0.434 243 A N 1.604 124.313 122.820 -0.186 0.000 1.825 243 A HA -0.216 4.104 4.320 -0.000 0.000 0.214 243 A C 1.970 179.444 177.584 -0.184 0.000 1.206 243 A CA 1.415 53.352 52.037 -0.167 0.000 0.609 243 A CB -0.674 18.270 19.000 -0.094 0.000 0.851 243 A HN 0.235 nan 8.150 nan 0.000 0.445 244 R N -0.870 119.496 120.500 -0.223 0.000 2.234 244 R HA -0.222 4.118 4.340 -0.000 0.000 0.262 244 R C 1.957 178.183 176.300 -0.122 0.000 1.150 244 R CA 1.826 57.752 56.100 -0.290 0.000 0.981 244 R CB -0.698 29.089 30.300 -0.854 0.000 0.899 244 R HN 0.419 nan 8.270 nan 0.000 0.458 245 L N 0.234 121.396 121.223 -0.103 0.000 2.109 245 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 245 L C 2.275 179.145 176.870 -0.000 0.000 1.086 245 L CA 1.478 56.317 54.840 -0.003 0.000 0.760 245 L CB -0.526 41.524 42.059 -0.015 0.000 0.910 245 L HN 0.255 nan 8.230 nan 0.000 0.437 246 I N -0.152 120.385 120.570 -0.055 0.000 2.133 246 I HA -0.316 3.854 4.170 -0.000 0.000 0.238 246 I C 2.431 178.536 176.117 -0.020 0.000 1.074 246 I CA 0.992 62.261 61.300 -0.051 0.000 1.342 246 I CB -0.150 37.780 38.000 -0.117 0.000 1.053 246 I HN 0.153 nan 8.210 nan 0.000 0.404 247 K N 1.076 121.414 120.400 -0.103 0.000 2.001 247 K HA -0.256 4.064 4.320 -0.000 0.000 0.223 247 K C 1.927 178.621 176.600 0.158 0.000 1.055 247 K CA 2.103 58.400 56.287 0.016 0.000 0.965 247 K CB -0.580 31.926 32.500 0.009 0.000 0.730 247 K HN 0.345 nan 8.250 nan 0.000 0.449 248 A N 0.047 122.964 122.820 0.160 0.000 2.292 248 A HA 0.035 4.355 4.320 -0.000 0.000 0.209 248 A C 1.341 178.986 177.584 0.102 0.000 1.209 248 A CA 1.308 53.438 52.037 0.156 0.000 0.746 248 A CB -0.968 18.179 19.000 0.245 0.000 0.764 248 A HN 0.616 nan 8.150 nan 0.000 0.492 249 G N -1.933 106.924 108.800 0.096 0.000 2.141 249 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.231 249 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.231 249 G C -0.073 174.860 174.900 0.055 0.000 0.984 249 G CA 0.181 45.327 45.100 0.076 0.000 0.660 249 G HN 0.650 nan 8.290 nan 0.000 0.525 250 I N 0.071 120.670 120.570 0.048 0.000 2.478 250 I HA 0.387 4.557 4.170 -0.000 0.000 0.287 250 I C 0.499 176.623 176.117 0.013 0.000 1.042 250 I CA -1.041 60.279 61.300 0.033 0.000 1.067 250 I CB 1.859 39.884 38.000 0.042 0.000 1.233 250 I HN 0.107 nan 8.210 nan 0.000 0.431 251 R N 7.107 127.610 120.500 0.006 0.000 2.473 251 R HA 0.155 4.495 4.340 -0.000 0.000 0.315 251 R C -2.292 173.995 176.300 -0.023 0.000 0.972 251 R CA -1.008 55.086 56.100 -0.010 0.000 1.047 251 R CB 0.403 30.700 30.300 -0.005 0.000 0.932 251 R HN 0.225 nan 8.270 nan 0.000 0.411 252 P HA 0.000 nan 4.420 nan 0.000 0.275 252 P C -0.145 177.116 177.300 -0.065 0.000 1.276 252 P CA -0.109 62.951 63.100 -0.067 0.000 0.782 252 P CB 0.666 32.306 31.700 -0.100 0.000 0.851 253 I N 2.471 123.003 120.570 -0.062 0.000 2.681 253 I HA 0.102 4.271 4.170 -0.000 0.000 0.247 253 I C 0.999 177.077 176.117 -0.065 0.000 1.091 253 I CA 1.223 62.491 61.300 -0.054 0.000 1.442 253 I CB -1.005 36.969 38.000 -0.043 0.000 1.219 253 I HN 0.435 nan 8.210 nan 0.000 0.451 254 N N -0.622 118.031 118.700 -0.078 0.000 2.823 254 N HA 0.025 4.765 4.740 -0.000 0.000 0.251 254 N C 0.184 175.628 175.510 -0.111 0.000 1.392 254 N CA -0.380 52.617 53.050 -0.089 0.000 0.864 254 N CB 0.180 38.624 38.487 -0.072 0.000 1.481 254 N HN -0.066 nan 8.380 nan 0.000 0.508 255 N N -0.087 118.538 118.700 -0.124 0.000 2.322 255 N HA -0.172 4.568 4.740 -0.000 0.000 0.189 255 N C 0.449 175.879 175.510 -0.133 0.000 1.012 255 N CA 1.977 54.934 53.050 -0.155 0.000 0.880 255 N CB -0.388 38.007 38.487 -0.152 0.000 0.967 255 N HN 0.363 nan 8.380 nan 0.000 0.439 256 V N -0.304 119.549 119.914 -0.100 0.000 3.431 256 V HA 0.078 4.198 4.120 -0.000 0.000 0.253 256 V C 2.402 178.448 176.094 -0.081 0.000 1.184 256 V CA 0.254 62.504 62.300 -0.083 0.000 1.104 256 V CB 0.360 32.142 31.823 -0.069 0.000 0.799 256 V HN 0.077 nan 8.190 nan 0.000 0.462 257 V N 0.544 120.409 119.914 -0.082 0.000 2.453 257 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 257 V C 2.195 178.256 176.094 -0.055 0.000 1.048 257 V CA 1.958 64.214 62.300 -0.074 0.000 1.049 257 V CB -0.577 31.206 31.823 -0.066 0.000 0.672 257 V HN 0.494 nan 8.190 nan 0.000 0.457 258 D N 0.516 120.872 120.400 -0.074 0.000 2.084 258 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 258 D C 2.015 178.296 176.300 -0.032 0.000 0.990 258 D CA 1.332 55.288 54.000 -0.074 0.000 0.826 258 D CB -0.313 40.388 40.800 -0.164 0.000 0.971 258 D HN 0.341 nan 8.370 nan 0.000 0.453 259 I N 0.957 121.482 120.570 -0.073 0.000 2.530 259 I HA -0.255 3.915 4.170 -0.000 0.000 0.257 259 I C 2.272 178.431 176.117 0.070 0.000 1.179 259 I CA 0.866 62.152 61.300 -0.024 0.000 1.440 259 I CB -0.094 37.872 38.000 -0.057 0.000 1.087 259 I HN 0.042 nan 8.210 nan 0.000 0.440 260 S N 0.691 116.411 115.700 0.032 0.000 2.325 260 S HA -0.155 4.315 4.470 -0.000 0.000 0.214 260 S C 1.654 176.303 174.600 0.083 0.000 1.031 260 S CA 1.331 59.556 58.200 0.042 0.000 0.972 260 S CB -0.876 62.312 63.200 -0.019 0.000 0.908 260 S HN 0.415 nan 8.310 nan 0.000 0.453 261 N N 0.354 119.095 118.700 0.069 0.000 2.247 261 N HA -0.172 4.568 4.740 -0.000 0.000 0.189 261 N C 1.518 177.124 175.510 0.160 0.000 1.009 261 N CA 1.700 54.803 53.050 0.089 0.000 0.872 261 N CB -0.399 38.127 38.487 0.065 0.000 0.980 261 N HN 0.625 nan 8.380 nan 0.000 0.436 262 Y N 0.585 120.922 120.300 0.063 0.000 2.286 262 Y HA -0.035 4.515 4.550 -0.000 0.000 0.293 262 Y C 1.800 177.834 175.900 0.224 0.000 1.124 262 Y CA 0.715 58.900 58.100 0.141 0.000 1.178 262 Y CB 0.138 38.630 38.460 0.054 0.000 1.010 262 Y HN -0.126 nan 8.280 nan 0.000 0.536 263 V N -0.289 119.796 119.914 0.286 0.000 2.788 263 V HA -0.163 3.957 4.120 -0.000 0.000 0.251 263 V C 2.271 178.437 176.094 0.119 0.000 1.068 263 V CA 0.666 63.104 62.300 0.230 0.000 1.090 263 V CB -0.779 31.189 31.823 0.242 0.000 0.710 263 V HN 0.343 nan 8.190 nan 0.000 0.467 264 L N 0.903 122.171 121.223 0.075 0.000 1.963 264 L HA -0.203 4.136 4.340 -0.000 0.000 0.220 264 L C 2.388 179.238 176.870 -0.033 0.000 1.076 264 L CA 2.308 57.155 54.840 0.013 0.000 0.772 264 L CB -1.095 40.974 42.059 0.017 0.000 0.892 264 L HN 0.276 nan 8.230 nan 0.000 0.435 265 L N -0.707 120.501 121.223 -0.024 0.000 2.129 265 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 265 L C 2.491 179.183 176.870 -0.296 0.000 1.087 265 L CA 1.706 56.480 54.840 -0.109 0.000 0.757 265 L CB -0.494 41.590 42.059 0.041 0.000 0.896 265 L HN 0.469 nan 8.230 nan 0.000 0.434 266 E N -0.995 119.058 120.200 -0.245 0.000 2.140 266 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 266 E C 1.534 177.778 176.600 -0.593 0.000 0.973 266 E CA 0.791 56.932 56.400 -0.432 0.000 0.829 266 E CB 0.218 29.817 29.700 -0.169 0.000 0.781 266 E HN 0.464 nan 8.360 nan 0.000 0.466 267 Y N -1.727 118.380 120.300 -0.321 0.000 2.423 267 Y HA 0.280 4.830 4.550 -0.000 0.000 0.257 267 Y C 1.295 177.050 175.900 -0.241 0.000 1.087 267 Y CA 0.380 58.238 58.100 -0.403 0.000 1.258 267 Y CB 1.818 40.063 38.460 -0.359 0.000 1.237 267 Y HN 0.201 nan 8.280 nan 0.000 0.517 268 G N 0.726 109.493 108.800 -0.056 0.000 2.189 268 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.267 268 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.267 268 G C 0.260 175.122 174.900 -0.065 0.000 0.975 268 G CA 0.482 45.550 45.100 -0.054 0.000 0.644 268 G HN 0.306 nan 8.290 nan 0.000 0.537 269 Q N 1.390 121.177 119.800 -0.021 0.000 2.314 269 Q HA 0.579 4.919 4.340 -0.000 0.000 0.257 269 Q C -2.370 173.568 176.000 -0.103 0.000 0.975 269 Q CA -2.210 53.550 55.803 -0.072 0.000 0.933 269 Q CB 1.160 29.890 28.738 -0.013 0.000 1.195 269 Q HN 0.267 nan 8.270 nan 0.000 0.426 270 P HA 0.164 nan 4.420 nan 0.000 0.271 270 P C -1.198 176.119 177.300 0.027 0.000 1.216 270 P CA -0.010 63.017 63.100 -0.123 0.000 0.776 270 P CB 0.679 32.200 31.700 -0.298 0.000 0.881 271 L N 2.004 123.266 121.223 0.066 0.000 2.381 271 L HA 0.492 4.831 4.340 -0.000 0.000 0.268 271 L C 0.157 177.086 176.870 0.098 0.000 0.997 271 L CA -0.713 54.172 54.840 0.075 0.000 0.818 271 L CB 1.786 43.865 42.059 0.033 0.000 1.310 271 L HN 0.446 nan 8.230 nan 0.000 0.416 272 H N 3.759 122.818 119.070 -0.018 0.000 2.472 272 H HA 0.495 5.051 4.556 -0.000 0.000 0.338 272 H C -1.185 174.017 175.328 -0.210 0.000 1.133 272 H CA -0.790 55.172 56.048 -0.144 0.000 1.216 272 H CB 1.847 31.474 29.762 -0.225 0.000 1.497 272 H HN 0.371 nan 8.280 nan 0.000 0.500 273 M N 5.619 124.839 119.600 -0.634 0.000 2.047 273 M HA 0.188 4.667 4.480 -0.000 0.000 0.342 273 M C -1.192 174.843 176.300 -0.442 0.000 1.058 273 M CA -0.459 54.614 55.300 -0.379 0.000 0.991 273 M CB -0.123 32.313 32.600 -0.273 0.000 1.474 273 M HN 0.326 nan 8.290 nan 0.000 0.419 274 F N 1.315 121.309 119.950 0.074 0.000 2.404 274 F HA 0.242 4.769 4.527 -0.000 0.000 0.339 274 F C 1.042 176.882 175.800 0.067 0.000 1.105 274 F CA -0.894 57.166 58.000 0.101 0.000 1.087 274 F CB 0.617 39.713 39.000 0.160 0.000 1.143 274 F HN 0.450 nan 8.300 nan 0.000 0.491 275 D N 3.249 123.802 120.400 0.255 0.000 2.389 275 D HA -0.059 4.580 4.640 -0.000 0.000 0.263 275 D C 1.149 177.593 176.300 0.240 0.000 1.255 275 D CA 0.481 54.602 54.000 0.202 0.000 0.914 275 D CB 0.757 41.650 40.800 0.154 0.000 1.116 275 D HN 0.758 nan 8.370 nan 0.000 0.502 276 Q N 3.166 123.079 119.800 0.189 0.000 2.065 276 Q HA -0.244 4.095 4.340 -0.000 0.000 0.213 276 Q C 0.790 176.881 176.000 0.151 0.000 1.012 276 Q CA 2.224 58.117 55.803 0.150 0.000 0.876 276 Q CB 0.187 28.994 28.738 0.114 0.000 0.954 276 Q HN 0.575 nan 8.270 nan 0.000 0.413 277 D N -1.251 119.256 120.400 0.177 0.000 2.310 277 D HA -0.115 4.524 4.640 -0.000 0.000 0.212 277 D C 0.698 177.098 176.300 0.167 0.000 0.965 277 D CA 0.993 55.092 54.000 0.164 0.000 0.879 277 D CB -0.043 40.870 40.800 0.189 0.000 0.921 277 D HN 0.518 nan 8.370 nan 0.000 0.510 278 H N -0.374 118.780 119.070 0.140 0.000 2.512 278 H HA 0.262 4.817 4.556 -0.000 0.000 0.276 278 H C 1.755 177.276 175.328 0.321 0.000 1.126 278 H CA -0.254 55.927 56.048 0.221 0.000 1.060 278 H CB 1.013 30.921 29.762 0.242 0.000 1.646 278 H HN 0.076 nan 8.280 nan 0.000 0.571 279 I N 0.054 120.783 120.570 0.266 0.000 2.202 279 I HA -0.128 4.041 4.170 -0.000 0.000 0.242 279 I C 1.704 177.964 176.117 0.238 0.000 1.091 279 I CA 1.704 63.090 61.300 0.142 0.000 1.368 279 I CB 0.171 38.153 38.000 -0.030 0.000 1.058 279 I HN 0.481 nan 8.210 nan 0.000 0.410 280 G N 0.940 109.817 108.800 0.127 0.000 2.135 280 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.183 280 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.183 280 G C 0.225 175.130 174.900 0.008 0.000 1.004 280 G CA 0.182 45.312 45.100 0.051 0.000 0.677 280 G HN 0.695 nan 8.290 nan 0.000 0.512 281 S N -1.704 113.997 115.700 0.002 0.000 2.655 281 S HA 0.618 5.088 4.470 -0.000 0.000 0.263 281 S C -0.623 173.973 174.600 -0.007 0.000 1.091 281 S CA 0.002 58.195 58.200 -0.011 0.000 0.865 281 S CB 0.725 63.914 63.200 -0.019 0.000 1.146 281 S HN 0.453 nan 8.310 nan 0.000 0.482 282 K N 1.745 122.140 120.400 -0.008 0.000 2.832 282 K HA 0.344 4.664 4.320 -0.000 0.000 0.211 282 K C -0.166 176.430 176.600 -0.007 0.000 1.112 282 K CA -0.094 56.193 56.287 -0.001 0.000 1.108 282 K CB -0.070 32.433 32.500 0.005 0.000 0.899 282 K HN 0.769 nan 8.250 nan 0.000 0.464 283 E N 0.347 120.534 120.200 -0.022 0.000 2.304 283 E HA 0.406 4.756 4.350 -0.000 0.000 0.277 283 E C -1.453 175.112 176.600 -0.058 0.000 0.898 283 E CA -0.716 55.665 56.400 -0.030 0.000 0.764 283 E CB 1.615 31.298 29.700 -0.028 0.000 1.216 283 E HN 0.009 nan 8.360 nan 0.000 0.419 284 I N 2.967 123.498 120.570 -0.066 0.000 2.474 284 I HA 0.395 4.565 4.170 -0.000 0.000 0.294 284 I C -1.146 174.887 176.117 -0.140 0.000 1.005 284 I CA -0.982 60.245 61.300 -0.121 0.000 1.113 284 I CB 2.091 40.020 38.000 -0.119 0.000 1.289 284 I HN 0.454 nan 8.210 nan 0.000 0.436 285 V N 7.060 126.870 119.914 -0.173 0.000 2.525 285 V HA 0.358 4.478 4.120 -0.000 0.000 0.299 285 V C -0.603 175.368 176.094 -0.206 0.000 1.034 285 V CA -0.682 61.524 62.300 -0.157 0.000 0.863 285 V CB 1.991 33.754 31.823 -0.102 0.000 0.999 285 V HN 0.376 nan 8.190 nan 0.000 0.423 286 V N 5.790 125.572 119.914 -0.220 0.000 2.370 286 V HA 0.856 4.976 4.120 -0.000 0.000 0.279 286 V C -0.058 175.968 176.094 -0.114 0.000 1.029 286 V CA -0.625 61.552 62.300 -0.206 0.000 0.870 286 V CB 1.033 32.727 31.823 -0.216 0.000 0.984 286 V HN 1.078 nan 8.190 nan 0.000 0.451 287 R N 2.867 123.303 120.500 -0.107 0.000 2.747 287 R HA 0.552 4.892 4.340 -0.000 0.000 0.272 287 R C -1.137 175.117 176.300 -0.076 0.000 1.032 287 R CA -0.969 55.088 56.100 -0.072 0.000 0.896 287 R CB 0.643 30.906 30.300 -0.062 0.000 1.253 287 R HN 0.373 nan 8.270 nan 0.000 0.461 288 Q N 0.568 120.335 119.800 -0.054 0.000 2.373 288 Q HA 0.417 4.757 4.340 -0.000 0.000 0.255 288 Q C 0.027 175.995 176.000 -0.054 0.000 0.980 288 Q CA 0.225 55.996 55.803 -0.052 0.000 0.882 288 Q CB 1.328 30.047 28.738 -0.032 0.000 1.249 288 Q HN 0.742 nan 8.270 nan 0.000 0.438 289 A N 2.677 125.463 122.820 -0.057 0.000 2.492 289 A HA 0.156 4.476 4.320 -0.000 0.000 0.236 289 A C 0.480 178.045 177.584 -0.031 0.000 1.078 289 A CA 0.179 52.188 52.037 -0.045 0.000 0.773 289 A CB 0.184 19.157 19.000 -0.045 0.000 1.023 289 A HN 0.742 nan 8.150 nan 0.000 0.504 290 K N 0.550 120.935 120.400 -0.025 0.000 2.393 290 K HA 0.433 4.753 4.320 -0.000 0.000 0.241 290 K C -0.905 175.686 176.600 -0.015 0.000 1.055 290 K CA -0.622 55.654 56.287 -0.019 0.000 0.951 290 K CB 0.359 32.849 32.500 -0.017 0.000 1.285 290 K HN 0.430 nan 8.250 nan 0.000 0.500 291 D N 1.964 122.357 120.400 -0.012 0.000 2.819 291 D HA -0.067 4.572 4.640 -0.000 0.000 0.236 291 D C -0.505 175.789 176.300 -0.009 0.000 1.181 291 D CA 1.655 55.649 54.000 -0.010 0.000 0.855 291 D CB -0.176 40.619 40.800 -0.008 0.000 1.146 291 D HN 0.663 nan 8.370 nan 0.000 0.540 292 E N -0.260 119.935 120.200 -0.009 0.000 3.496 292 E HA -0.316 4.033 4.350 -0.000 0.000 0.300 292 E C 0.070 176.666 176.600 -0.007 0.000 0.877 292 E CA 0.583 56.979 56.400 -0.007 0.000 1.050 292 E CB -1.249 28.448 29.700 -0.006 0.000 1.532 292 E HN 0.690 nan 8.360 nan 0.000 0.447 293 E N 1.954 122.148 120.200 -0.009 0.000 2.414 293 E HA 0.103 4.452 4.350 -0.000 0.000 0.263 293 E C -0.014 176.583 176.600 -0.005 0.000 1.000 293 E CA 0.576 56.971 56.400 -0.008 0.000 0.914 293 E CB 0.655 30.347 29.700 -0.014 0.000 0.948 293 E HN 0.175 nan 8.360 nan 0.000 0.444 294 T N 2.898 117.452 114.554 0.001 0.000 2.882 294 T HA 0.551 4.900 4.350 -0.000 0.000 0.287 294 T C 0.112 174.820 174.700 0.013 0.000 0.992 294 T CA -0.846 61.259 62.100 0.007 0.000 1.076 294 T CB 0.823 69.698 68.868 0.011 0.000 0.961 294 T HN 0.630 nan 8.240 nan 0.000 0.490 295 M N -0.116 119.494 119.600 0.016 0.000 2.694 295 M HA 0.595 5.074 4.480 -0.000 0.000 0.276 295 M C -1.854 174.464 176.300 0.031 0.000 1.167 295 M CA -0.687 54.631 55.300 0.029 0.000 0.849 295 M CB 1.792 34.403 32.600 0.019 0.000 1.705 295 M HN 0.418 nan 8.290 nan 0.000 0.504 296 T N 1.837 116.419 114.554 0.047 0.000 2.812 296 T HA 0.733 5.083 4.350 -0.000 0.000 0.282 296 T C -0.577 174.150 174.700 0.045 0.000 0.990 296 T CA -0.442 61.686 62.100 0.047 0.000 0.960 296 T CB 1.564 70.469 68.868 0.062 0.000 0.948 296 T HN 0.830 nan 8.240 nan 0.000 0.438 297 T N 0.416 114.990 114.554 0.033 0.000 2.925 297 T HA 0.410 4.760 4.350 -0.000 0.000 0.285 297 T C 1.539 176.259 174.700 0.034 0.000 1.021 297 T CA -1.124 60.991 62.100 0.026 0.000 1.042 297 T CB 0.708 69.587 68.868 0.019 0.000 1.037 297 T HN 0.390 nan 8.240 nan 0.000 0.481 298 L N -0.962 120.282 121.223 0.035 0.000 2.683 298 L HA -0.054 4.286 4.340 -0.000 0.000 0.236 298 L C 1.447 178.338 176.870 0.034 0.000 1.179 298 L CA 1.436 56.298 54.840 0.037 0.000 0.822 298 L CB -1.682 40.399 42.059 0.036 0.000 0.952 298 L HN 0.615 nan 8.230 nan 0.000 0.455 299 D N 1.143 121.562 120.400 0.032 0.000 2.182 299 D HA -0.203 4.436 4.640 -0.000 0.000 0.201 299 D C 1.203 177.521 176.300 0.030 0.000 0.986 299 D CA 1.346 55.363 54.000 0.029 0.000 0.847 299 D CB -0.109 40.707 40.800 0.027 0.000 0.942 299 D HN 0.688 nan 8.370 nan 0.000 0.467 300 N N -0.705 118.017 118.700 0.036 0.000 2.857 300 N HA -0.237 4.503 4.740 -0.000 0.000 0.242 300 N C -0.764 174.765 175.510 0.033 0.000 0.983 300 N CA 0.751 53.824 53.050 0.039 0.000 0.934 300 N CB -2.108 36.401 38.487 0.037 0.000 1.115 300 N HN 0.322 nan 8.380 nan 0.000 0.593 301 N N 2.617 121.334 118.700 0.028 0.000 2.430 301 N HA 0.131 4.870 4.740 -0.000 0.000 0.265 301 N C 0.107 175.631 175.510 0.025 0.000 1.100 301 N CA -0.126 52.938 53.050 0.024 0.000 0.961 301 N CB 0.654 39.154 38.487 0.021 0.000 1.075 301 N HN 0.174 nan 8.380 nan 0.000 0.478 302 E N 2.408 122.622 120.200 0.023 0.000 2.331 302 E HA 0.272 4.621 4.350 -0.000 0.000 0.272 302 E C -0.540 176.070 176.600 0.017 0.000 1.036 302 E CA -0.352 56.062 56.400 0.024 0.000 0.864 302 E CB 1.328 31.042 29.700 0.024 0.000 1.035 302 E HN 0.415 nan 8.360 nan 0.000 0.408 303 R N 2.335 122.843 120.500 0.015 0.000 2.435 303 R HA 0.239 4.579 4.340 -0.000 0.000 0.308 303 R C -0.767 175.536 176.300 0.005 0.000 0.975 303 R CA -1.034 55.071 56.100 0.008 0.000 0.867 303 R CB 1.251 31.554 30.300 0.005 0.000 1.171 303 R HN 0.485 nan 8.270 nan 0.000 0.470 304 K N 2.748 123.149 120.400 0.003 0.000 2.172 304 K HA 0.463 4.782 4.320 -0.000 0.000 0.276 304 K C -0.309 176.289 176.600 -0.005 0.000 1.013 304 K CA -0.473 55.813 56.287 -0.000 0.000 0.913 304 K CB 1.055 33.555 32.500 0.000 0.000 1.055 304 K HN 0.341 nan 8.250 nan 0.000 0.461 305 L N 1.169 122.387 121.223 -0.008 0.000 2.464 305 L HA 0.701 5.041 4.340 -0.000 0.000 0.264 305 L C -0.359 176.503 176.870 -0.012 0.000 1.062 305 L CA -1.531 53.302 54.840 -0.013 0.000 0.935 305 L CB 1.458 43.505 42.059 -0.019 0.000 1.603 305 L HN 0.586 nan 8.230 nan 0.000 0.528 306 V N -3.453 116.452 119.914 -0.015 0.000 3.159 306 V HA 0.291 4.411 4.120 -0.000 0.000 0.308 306 V C 0.048 176.134 176.094 -0.014 0.000 1.190 306 V CA -0.685 61.608 62.300 -0.013 0.000 1.037 306 V CB 1.597 33.413 31.823 -0.012 0.000 1.060 306 V HN 0.655 nan 8.190 nan 0.000 0.437 307 D N 1.820 122.213 120.400 -0.012 0.000 2.311 307 D HA -0.186 4.453 4.640 -0.000 0.000 0.204 307 D C 1.375 177.668 176.300 -0.010 0.000 1.000 307 D CA 2.479 56.473 54.000 -0.011 0.000 0.910 307 D CB 0.120 40.916 40.800 -0.007 0.000 0.900 307 D HN 1.018 nan 8.370 nan 0.000 0.463 308 T N -3.433 111.117 114.554 -0.007 0.000 3.296 308 T HA 0.256 4.606 4.350 -0.000 0.000 0.285 308 T C -0.307 174.392 174.700 -0.002 0.000 1.014 308 T CA -0.820 61.282 62.100 0.004 0.000 0.920 308 T CB 0.466 69.347 68.868 0.022 0.000 1.143 308 T HN -0.199 nan 8.240 nan 0.000 0.522 309 D N 1.698 122.082 120.400 -0.025 0.000 2.192 309 D HA 0.444 5.084 4.640 -0.000 0.000 0.246 309 D C 0.141 176.388 176.300 -0.087 0.000 1.042 309 D CA -0.689 53.280 54.000 -0.051 0.000 0.847 309 D CB 1.732 42.502 40.800 -0.049 0.000 1.186 309 D HN 0.343 nan 8.370 nan 0.000 0.461 310 I N 1.754 122.240 120.570 -0.141 0.000 2.441 310 I HA 0.207 4.377 4.170 -0.000 0.000 0.287 310 I C 0.677 176.647 176.117 -0.246 0.000 1.049 310 I CA -0.772 60.400 61.300 -0.213 0.000 1.381 310 I CB 0.853 38.653 38.000 -0.334 0.000 1.409 310 I HN 0.044 nan 8.210 nan 0.000 0.523 311 V N 5.299 125.091 119.914 -0.204 0.000 3.019 311 V HA 0.601 4.720 4.120 -0.000 0.000 0.317 311 V C -0.247 175.721 176.094 -0.210 0.000 1.094 311 V CA -0.895 61.292 62.300 -0.188 0.000 1.000 311 V CB 2.403 34.154 31.823 -0.119 0.000 1.060 311 V HN 0.448 nan 8.190 nan 0.000 0.443 312 I N 1.889 122.354 120.570 -0.175 0.000 2.437 312 I HA 0.640 4.810 4.170 -0.000 0.000 0.298 312 I C 0.295 176.326 176.117 -0.142 0.000 0.984 312 I CA 0.038 61.237 61.300 -0.168 0.000 1.214 312 I CB 1.150 39.096 38.000 -0.090 0.000 1.365 312 I HN 0.796 nan 8.210 nan 0.000 0.469 313 S N 2.837 118.444 115.700 -0.156 0.000 2.599 313 S HA 0.305 4.774 4.470 -0.000 0.000 0.287 313 S C 0.821 175.344 174.600 -0.129 0.000 1.105 313 S CA -0.670 57.462 58.200 -0.113 0.000 0.899 313 S CB 1.873 65.025 63.200 -0.079 0.000 1.100 313 S HN 0.748 nan 8.310 nan 0.000 0.482 314 N N 0.980 119.631 118.700 -0.082 0.000 2.416 314 N HA 0.183 4.922 4.740 -0.000 0.000 0.177 314 N C 0.890 176.369 175.510 -0.052 0.000 1.036 314 N CA 1.037 54.044 53.050 -0.071 0.000 0.901 314 N CB 0.056 38.534 38.487 -0.015 0.000 0.976 314 N HN 0.835 nan 8.380 nan 0.000 0.444 315 G N -1.570 107.204 108.800 -0.042 0.000 2.407 315 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.210 315 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.210 315 G C -0.136 174.750 174.900 -0.025 0.000 1.015 315 G CA 0.029 45.108 45.100 -0.035 0.000 0.807 315 G HN 0.258 nan 8.290 nan 0.000 0.539 316 Q N -0.782 119.007 119.800 -0.019 0.000 1.727 316 Q HA -0.037 4.303 4.340 -0.000 0.000 0.142 316 Q C -1.212 174.791 176.000 0.005 0.000 0.655 316 Q CA -0.063 55.733 55.803 -0.012 0.000 1.010 316 Q CB -0.069 28.660 28.738 -0.014 0.000 1.055 316 Q HN 0.358 nan 8.270 nan 0.000 0.705 317 E N 1.399 121.611 120.200 0.019 0.000 2.244 317 E HA 0.343 4.692 4.350 -0.000 0.000 0.260 317 E C -2.752 173.875 176.600 0.046 0.000 0.884 317 E CA -1.780 54.662 56.400 0.070 0.000 0.777 317 E CB 2.066 31.861 29.700 0.158 0.000 1.197 317 E HN -0.052 nan 8.360 nan 0.000 0.416 318 P HA 0.147 nan 4.420 nan 0.000 0.273 318 P C 0.632 177.930 177.300 -0.005 0.000 1.319 318 P CA 0.182 63.281 63.100 -0.002 0.000 0.885 318 P CB -0.149 31.551 31.700 0.000 0.000 1.015 319 I N 0.505 121.035 120.570 -0.066 0.000 4.082 319 I HA 0.711 4.881 4.170 -0.000 0.000 0.337 319 I C 0.153 176.217 176.117 -0.088 0.000 1.352 319 I CA -0.477 60.719 61.300 -0.173 0.000 1.097 319 I CB 0.522 38.371 38.000 -0.251 0.000 1.048 319 I HN 0.134 nan 8.210 nan 0.000 0.393 320 A N 1.363 124.157 122.820 -0.043 0.000 2.540 320 A HA 0.429 4.748 4.320 -0.000 0.000 0.315 320 A C -1.359 176.170 177.584 -0.091 0.000 1.037 320 A CA -0.575 51.446 52.037 -0.027 0.000 0.940 320 A CB 0.169 19.204 19.000 0.057 0.000 1.262 320 A HN 0.164 nan 8.150 nan 0.000 0.377 321 L N 2.809 123.976 121.223 -0.093 0.000 2.617 321 L HA 0.462 4.802 4.340 -0.000 0.000 0.282 321 L C 1.129 177.879 176.870 -0.200 0.000 1.174 321 L CA 1.153 55.916 54.840 -0.129 0.000 1.016 321 L CB -0.311 41.702 42.059 -0.077 0.000 1.337 321 L HN 1.153 nan 8.230 nan 0.000 0.460 322 A N 3.677 126.292 122.820 -0.341 0.000 2.587 322 A HA 0.389 4.709 4.320 -0.000 0.000 0.235 322 A C 1.587 178.837 177.584 -0.556 0.000 1.044 322 A CA 0.711 52.375 52.037 -0.622 0.000 0.754 322 A CB -0.457 17.763 19.000 -1.301 0.000 0.968 322 A HN 1.476 nan 8.150 nan 0.000 0.509 323 G N 0.775 109.399 108.800 -0.293 0.000 3.444 323 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.222 323 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.222 323 G C 1.100 176.069 174.900 0.115 0.000 1.358 323 G CA 1.042 46.117 45.100 -0.040 0.000 0.880 323 G HN 1.495 nan 8.290 nan 0.000 0.555 324 V N 0.168 120.088 119.914 0.009 0.000 2.500 324 V HA 0.628 4.748 4.120 -0.000 0.000 0.243 324 V C 1.159 177.292 176.094 0.066 0.000 1.039 324 V CA 2.505 64.834 62.300 0.049 0.000 1.053 324 V CB 0.187 32.015 31.823 0.008 0.000 0.695 324 V HN 0.745 nan 8.190 nan 0.000 0.463 325 M N -1.842 117.783 119.600 0.041 0.000 3.557 325 M HA 0.684 5.164 4.480 -0.000 0.000 0.301 325 M C -0.239 176.107 176.300 0.076 0.000 1.451 325 M CA 0.154 55.492 55.300 0.062 0.000 0.816 325 M CB 1.563 34.185 32.600 0.036 0.000 1.848 325 M HN 0.110 nan 8.290 nan 0.000 0.456 326 G N -0.945 107.924 108.800 0.114 0.000 3.175 326 G HA2 0.703 4.663 3.960 -0.000 0.000 0.255 326 G HA3 0.703 4.663 3.960 -0.000 0.000 0.255 326 G C -0.964 173.968 174.900 0.054 0.000 1.352 326 G CA -0.575 44.610 45.100 0.141 0.000 1.037 326 G HN 0.923 nan 8.290 nan 0.000 0.556 327 G N -0.999 107.828 108.800 0.045 0.000 2.434 327 G HA2 0.471 4.431 3.960 -0.000 0.000 0.330 327 G HA3 0.471 4.431 3.960 -0.000 0.000 0.330 327 G C -0.688 174.189 174.900 -0.039 0.000 1.155 327 G CA -0.275 44.788 45.100 -0.061 0.000 0.917 327 G HN 0.778 nan 8.290 nan 0.000 0.493 328 D N -1.038 119.364 120.400 0.003 0.000 2.346 328 D HA 0.369 5.009 4.640 -0.000 0.000 0.260 328 D C 0.495 176.892 176.300 0.162 0.000 1.252 328 D CA -0.132 53.916 54.000 0.080 0.000 0.895 328 D CB 0.097 40.968 40.800 0.119 0.000 1.097 328 D HN 0.870 nan 8.370 nan 0.000 0.489 329 F N 0.455 120.474 119.950 0.115 0.000 1.814 329 F HA -0.275 4.252 4.527 -0.000 0.000 0.549 329 F C 0.664 176.582 175.800 0.196 0.000 0.494 329 F CA 0.441 58.527 58.000 0.144 0.000 2.122 329 F CB -1.331 37.745 39.000 0.126 0.000 2.960 329 F HN 0.314 nan 8.300 nan 0.000 0.238 330 S N 1.804 117.389 115.700 -0.192 0.000 2.535 330 S HA 0.154 4.624 4.470 -0.000 0.000 0.214 330 S C 0.790 175.546 174.600 0.259 0.000 0.980 330 S CA 0.195 58.420 58.200 0.042 0.000 0.907 330 S CB -0.154 62.889 63.200 -0.262 0.000 0.790 330 S HN 0.792 nan 8.310 nan 0.000 0.510 331 E N 1.826 122.110 120.200 0.140 0.000 2.605 331 E HA 0.150 4.500 4.350 -0.000 0.000 0.255 331 E C -0.574 176.051 176.600 0.042 0.000 1.369 331 E CA -0.502 55.946 56.400 0.080 0.000 1.017 331 E CB 0.272 29.979 29.700 0.011 0.000 1.086 331 E HN 0.023 nan 8.360 nan 0.000 0.605 332 V N 2.199 122.093 119.914 -0.033 0.000 2.353 332 V HA 0.124 4.244 4.120 -0.000 0.000 0.264 332 V C 0.375 176.440 176.094 -0.048 0.000 1.049 332 V CA 0.113 62.389 62.300 -0.040 0.000 0.896 332 V CB 0.392 32.177 31.823 -0.064 0.000 1.025 332 V HN 0.778 nan 8.190 nan 0.000 0.475 333 T N 1.729 116.249 114.554 -0.057 0.000 2.847 333 T HA 0.291 4.641 4.350 -0.000 0.000 0.279 333 T C 1.094 175.762 174.700 -0.054 0.000 0.984 333 T CA -0.524 61.541 62.100 -0.058 0.000 0.988 333 T CB 1.027 69.849 68.868 -0.078 0.000 1.040 333 T HN 0.729 nan 8.240 nan 0.000 0.528 334 E N 0.459 120.632 120.200 -0.045 0.000 2.347 334 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 334 E C 1.135 177.714 176.600 -0.034 0.000 1.008 334 E CA 0.336 56.712 56.400 -0.039 0.000 0.852 334 E CB -0.157 29.522 29.700 -0.034 0.000 0.783 334 E HN 0.698 nan 8.360 nan 0.000 0.505 335 Q N 2.096 121.872 119.800 -0.040 0.000 2.244 335 Q HA 0.062 4.402 4.340 -0.000 0.000 0.239 335 Q C 0.184 176.164 176.000 -0.034 0.000 0.890 335 Q CA 0.172 55.957 55.803 -0.031 0.000 0.964 335 Q CB -0.139 28.583 28.738 -0.027 0.000 1.076 335 Q HN 0.136 nan 8.270 nan 0.000 0.447 336 T N -1.605 112.930 114.554 -0.033 0.000 2.907 336 T HA 0.487 4.837 4.350 -0.000 0.000 0.284 336 T C 0.810 175.514 174.700 0.006 0.000 1.004 336 T CA 0.138 62.232 62.100 -0.010 0.000 1.063 336 T CB 1.716 70.579 68.868 -0.008 0.000 0.992 336 T HN 0.248 nan 8.240 nan 0.000 0.483 337 T N -1.359 113.211 114.554 0.027 0.000 3.046 337 T HA 0.271 4.621 4.350 -0.000 0.000 0.270 337 T C 0.119 174.839 174.700 0.033 0.000 0.920 337 T CA -0.587 61.527 62.100 0.023 0.000 0.874 337 T CB -0.192 68.690 68.868 0.023 0.000 1.214 337 T HN 0.762 nan 8.240 nan 0.000 0.536 338 N N 1.643 120.374 118.700 0.051 0.000 2.238 338 N HA 0.599 5.339 4.740 -0.000 0.000 0.302 338 N C -1.515 174.041 175.510 0.076 0.000 1.072 338 N CA -0.778 52.307 53.050 0.059 0.000 0.792 338 N CB 3.364 41.889 38.487 0.063 0.000 1.425 338 N HN 0.231 nan 8.380 nan 0.000 0.478 339 V N -1.418 118.542 119.914 0.075 0.000 2.623 339 V HA 0.471 4.591 4.120 -0.000 0.000 0.304 339 V C -0.174 175.989 176.094 0.116 0.000 1.054 339 V CA -0.890 61.467 62.300 0.095 0.000 0.882 339 V CB 1.359 33.219 31.823 0.061 0.000 1.002 339 V HN 0.484 nan 8.190 nan 0.000 0.424 340 V N 7.347 127.365 119.914 0.173 0.000 2.488 340 V HA 0.589 4.709 4.120 -0.000 0.000 0.277 340 V C 0.047 176.272 176.094 0.218 0.000 1.046 340 V CA -0.135 62.289 62.300 0.206 0.000 0.986 340 V CB 1.043 33.020 31.823 0.256 0.000 0.989 340 V HN 1.089 nan 8.190 nan 0.000 0.475 341 I N 6.128 126.788 120.570 0.150 0.000 2.330 341 I HA 0.520 4.689 4.170 -0.000 0.000 0.289 341 I C 0.130 176.310 176.117 0.106 0.000 1.001 341 I CA -0.450 60.912 61.300 0.104 0.000 1.193 341 I CB 1.041 39.076 38.000 0.058 0.000 1.345 341 I HN 0.933 nan 8.210 nan 0.000 0.461 342 E N 6.213 126.485 120.200 0.120 0.000 2.338 342 E HA 0.489 4.839 4.350 -0.000 0.000 0.272 342 E C -0.619 175.942 176.600 -0.066 0.000 1.029 342 E CA -0.600 55.803 56.400 0.005 0.000 0.872 342 E CB 1.168 30.947 29.700 0.131 0.000 1.015 342 E HN 0.867 nan 8.360 nan 0.000 0.417 343 G N 2.600 111.290 108.800 -0.183 0.000 2.805 343 G HA2 0.605 4.565 3.960 -0.000 0.000 0.283 343 G HA3 0.605 4.565 3.960 -0.000 0.000 0.283 343 G C -1.185 173.618 174.900 -0.162 0.000 1.508 343 G CA -0.103 44.940 45.100 -0.095 0.000 1.042 343 G HN 0.648 nan 8.290 nan 0.000 0.543 344 A N 2.498 125.200 122.820 -0.196 0.000 2.387 344 A HA 0.894 5.213 4.320 -0.000 0.000 0.303 344 A C -0.651 176.828 177.584 -0.176 0.000 1.145 344 A CA -0.795 51.015 52.037 -0.378 0.000 0.801 344 A CB 1.312 19.760 19.000 -0.921 0.000 1.342 344 A HN 0.626 nan 8.150 nan 0.000 0.440 345 I N 1.242 121.699 120.570 -0.188 0.000 2.382 345 I HA 0.347 4.517 4.170 -0.000 0.000 0.286 345 I C -1.524 174.430 176.117 -0.272 0.000 1.002 345 I CA -0.095 61.161 61.300 -0.073 0.000 1.135 345 I CB 0.966 39.031 38.000 0.108 0.000 1.288 345 I HN 0.396 nan 8.210 nan 0.000 0.448 346 F N 3.077 122.991 119.950 -0.061 0.000 2.411 346 F HA 0.215 4.742 4.527 -0.000 0.000 0.352 346 F C 0.700 176.471 175.800 -0.049 0.000 1.123 346 F CA -1.557 56.345 58.000 -0.164 0.000 1.044 346 F CB 0.641 39.369 39.000 -0.453 0.000 1.135 346 F HN 0.473 nan 8.300 nan 0.000 0.461 347 D N 5.618 126.124 120.400 0.176 0.000 3.061 347 D HA -0.111 4.529 4.640 -0.000 0.000 0.226 347 D C -1.651 174.705 176.300 0.094 0.000 1.168 347 D CA -0.362 53.704 54.000 0.111 0.000 0.822 347 D CB 0.817 41.664 40.800 0.078 0.000 1.152 347 D HN 0.230 nan 8.370 nan 0.000 0.555 348 P HA -0.244 nan 4.420 nan 0.000 0.218 348 P C 1.221 178.533 177.300 0.020 0.000 1.150 348 P CA 0.837 63.993 63.100 0.093 0.000 0.841 348 P CB 0.113 31.856 31.700 0.073 0.000 0.784 349 V N -2.364 117.531 119.914 -0.031 0.000 3.125 349 V HA -0.049 4.071 4.120 -0.000 0.000 0.249 349 V C 1.908 177.900 176.094 -0.169 0.000 1.113 349 V CA 1.682 63.887 62.300 -0.158 0.000 1.106 349 V CB -0.760 30.966 31.823 -0.161 0.000 0.768 349 V HN 0.028 nan 8.190 nan 0.000 0.468 350 S N 1.920 117.591 115.700 -0.048 0.000 2.351 350 S HA -0.149 4.321 4.470 -0.000 0.000 0.220 350 S C 1.934 176.522 174.600 -0.021 0.000 1.035 350 S CA 1.974 60.165 58.200 -0.015 0.000 1.031 350 S CB -0.524 62.669 63.200 -0.012 0.000 0.928 350 S HN 0.553 nan 8.310 nan 0.000 0.433 351 I N 2.545 123.101 120.570 -0.022 0.000 2.145 351 I HA -0.250 3.919 4.170 -0.000 0.000 0.244 351 I C 2.656 178.786 176.117 0.021 0.000 1.075 351 I CA 1.766 63.066 61.300 0.000 0.000 1.332 351 I CB -1.409 36.629 38.000 0.064 0.000 1.033 351 I HN 0.379 nan 8.210 nan 0.000 0.410 352 R N 0.043 120.529 120.500 -0.023 0.000 2.105 352 R HA -0.210 4.129 4.340 -0.000 0.000 0.239 352 R C 2.321 178.631 176.300 0.017 0.000 1.135 352 R CA 1.707 57.779 56.100 -0.047 0.000 0.967 352 R CB -0.242 29.955 30.300 -0.171 0.000 0.861 352 R HN 0.400 nan 8.270 nan 0.000 0.442 353 H N -0.272 118.813 119.070 0.025 0.000 2.431 353 H HA 0.092 4.648 4.556 -0.000 0.000 0.295 353 H C 1.922 177.254 175.328 0.007 0.000 1.038 353 H CA 1.644 57.701 56.048 0.015 0.000 1.360 353 H CB -0.260 29.508 29.762 0.009 0.000 1.433 353 H HN 0.260 nan 8.280 nan 0.000 0.536 354 T N 0.942 115.568 114.554 0.120 0.000 2.545 354 T HA -0.214 4.136 4.350 -0.000 0.000 0.261 354 T C 2.369 177.099 174.700 0.050 0.000 1.097 354 T CA 2.356 64.488 62.100 0.054 0.000 1.189 354 T CB -0.670 68.202 68.868 0.007 0.000 0.863 354 T HN 0.505 nan 8.240 nan 0.000 0.405 355 S N 2.526 118.256 115.700 0.050 0.000 2.407 355 S HA -0.354 4.116 4.470 -0.000 0.000 0.244 355 S C 2.056 176.692 174.600 0.060 0.000 1.077 355 S CA 1.598 59.832 58.200 0.057 0.000 1.159 355 S CB -0.793 62.450 63.200 0.070 0.000 1.045 355 S HN 0.324 nan 8.310 nan 0.000 0.438 356 R N 1.550 122.097 120.500 0.078 0.000 2.094 356 R HA -0.137 4.203 4.340 -0.000 0.000 0.239 356 R C 2.795 179.129 176.300 0.056 0.000 1.137 356 R CA 2.122 58.270 56.100 0.080 0.000 0.943 356 R CB -0.481 29.897 30.300 0.129 0.000 0.850 356 R HN 0.684 nan 8.270 nan 0.000 0.433 357 R N 0.362 120.892 120.500 0.050 0.000 2.090 357 R HA -0.029 4.311 4.340 -0.000 0.000 0.228 357 R C 1.659 177.971 176.300 0.021 0.000 1.110 357 R CA 1.050 57.165 56.100 0.026 0.000 0.973 357 R CB -0.094 30.216 30.300 0.016 0.000 0.869 357 R HN 0.203 nan 8.270 nan 0.000 0.440 358 L N 1.525 122.763 121.223 0.025 0.000 2.685 358 L HA 0.142 4.482 4.340 -0.000 0.000 0.233 358 L C 0.241 177.126 176.870 0.025 0.000 1.173 358 L CA -0.223 54.629 54.840 0.021 0.000 0.961 358 L CB -0.181 41.888 42.059 0.018 0.000 1.217 358 L HN 0.336 nan 8.230 nan 0.000 0.478 359 N N 1.292 120.009 118.700 0.029 0.000 2.721 359 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 359 N C -0.053 175.476 175.510 0.033 0.000 1.072 359 N CA 0.702 53.770 53.050 0.030 0.000 0.710 359 N CB -0.717 37.784 38.487 0.023 0.000 0.993 359 N HN 0.390 nan 8.380 nan 0.000 0.547 360 L N 0.631 121.877 121.223 0.038 0.000 3.168 360 L HA 0.235 4.575 4.340 -0.000 0.000 0.277 360 L C 0.747 177.649 176.870 0.052 0.000 1.308 360 L CA -0.331 54.534 54.840 0.041 0.000 0.976 360 L CB 0.282 42.364 42.059 0.038 0.000 1.383 360 L HN -0.057 nan 8.230 nan 0.000 0.572 361 R N 0.935 121.467 120.500 0.052 0.000 2.421 361 R HA 0.151 4.490 4.340 -0.000 0.000 0.305 361 R C 0.181 176.519 176.300 0.063 0.000 1.039 361 R CA 0.082 56.218 56.100 0.061 0.000 1.003 361 R CB 0.833 31.165 30.300 0.054 0.000 0.959 361 R HN 0.277 nan 8.270 nan 0.000 0.427 362 S N 1.725 117.472 115.700 0.078 0.000 2.718 362 S HA 0.206 4.676 4.470 -0.000 0.000 0.300 362 S C 0.697 175.340 174.600 0.072 0.000 1.117 362 S CA -1.126 57.120 58.200 0.077 0.000 1.002 362 S CB 1.749 65.006 63.200 0.095 0.000 1.092 362 S HN 0.537 nan 8.310 nan 0.000 0.542 363 E N 0.191 120.426 120.200 0.057 0.000 2.472 363 E HA -0.061 4.289 4.350 -0.000 0.000 0.200 363 E C 1.361 177.981 176.600 0.033 0.000 1.046 363 E CA 0.823 57.248 56.400 0.042 0.000 0.871 363 E CB -0.165 29.555 29.700 0.033 0.000 0.806 363 E HN 0.713 nan 8.360 nan 0.000 0.533 364 A N 0.832 123.692 122.820 0.067 0.000 2.167 364 A HA 0.014 4.334 4.320 -0.000 0.000 0.208 364 A C 2.252 179.939 177.584 0.172 0.000 1.198 364 A CA 0.522 52.594 52.037 0.057 0.000 0.863 364 A CB 0.139 19.210 19.000 0.117 0.000 0.904 364 A HN 0.236 nan 8.150 nan 0.000 0.484 365 S N 1.123 116.967 115.700 0.240 0.000 2.335 365 S HA -0.177 4.293 4.470 -0.000 0.000 0.217 365 S C 2.154 176.884 174.600 0.217 0.000 1.032 365 S CA 1.628 60.021 58.200 0.322 0.000 0.985 365 S CB -1.160 62.165 63.200 0.208 0.000 0.896 365 S HN 0.850 nan 8.310 nan 0.000 0.445 366 S N 3.047 118.821 115.700 0.123 0.000 2.399 366 S HA -0.283 4.187 4.470 -0.000 0.000 0.235 366 S C 1.949 176.580 174.600 0.051 0.000 1.063 366 S CA 1.518 59.765 58.200 0.078 0.000 1.070 366 S CB -0.733 62.499 63.200 0.054 0.000 0.904 366 S HN 0.567 nan 8.310 nan 0.000 0.456 367 R N 0.040 120.539 120.500 -0.002 0.000 2.062 367 R HA 0.094 4.434 4.340 -0.000 0.000 0.229 367 R C 2.059 178.307 176.300 -0.087 0.000 1.128 367 R CA 1.424 57.471 56.100 -0.089 0.000 0.960 367 R CB -0.562 29.628 30.300 -0.183 0.000 0.855 367 R HN 0.467 nan 8.270 nan 0.000 0.432 368 F N 1.535 121.526 119.950 0.068 0.000 2.287 368 F HA -0.175 4.352 4.527 -0.000 0.000 0.301 368 F C 2.141 177.976 175.800 0.059 0.000 1.069 368 F CA 1.205 59.251 58.000 0.078 0.000 1.372 368 F CB -0.312 38.771 39.000 0.139 0.000 1.056 368 F HN 0.112 nan 8.300 nan 0.000 0.523 369 E N -0.195 120.128 120.200 0.204 0.000 2.072 369 E HA -0.175 4.174 4.350 -0.000 0.000 0.190 369 E C 1.909 178.555 176.600 0.077 0.000 0.982 369 E CA 0.909 57.378 56.400 0.116 0.000 0.803 369 E CB 0.016 29.766 29.700 0.084 0.000 0.755 369 E HN 0.076 nan 8.360 nan 0.000 0.453 370 K N -0.559 119.878 120.400 0.061 0.000 2.365 370 K HA 0.135 4.455 4.320 -0.000 0.000 0.197 370 K C 0.158 176.779 176.600 0.035 0.000 1.042 370 K CA 0.644 56.954 56.287 0.038 0.000 0.987 370 K CB 0.755 33.270 32.500 0.024 0.000 0.779 370 K HN 0.225 nan 8.250 nan 0.000 0.484 371 G N 0.500 109.331 108.800 0.052 0.000 2.650 371 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.686 371 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.686 371 G C -1.043 173.867 174.900 0.016 0.000 1.205 371 G CA -0.924 44.205 45.100 0.048 0.000 0.781 371 G HN -0.032 nan 8.290 nan 0.000 0.648 372 I N 1.494 122.074 120.570 0.017 0.000 2.378 372 I HA 0.542 4.712 4.170 -0.000 0.000 0.291 372 I C 1.252 177.337 176.117 -0.054 0.000 0.992 372 I CA -0.342 60.947 61.300 -0.018 0.000 1.154 372 I CB 1.164 39.163 38.000 -0.002 0.000 1.315 372 I HN 1.377 nan 8.210 nan 0.000 0.448 373 A N 4.785 127.562 122.820 -0.071 0.000 2.470 373 A HA -0.064 4.256 4.320 -0.000 0.000 0.290 373 A C 1.643 179.083 177.584 -0.239 0.000 1.120 373 A CA 0.612 52.532 52.037 -0.194 0.000 1.013 373 A CB -0.719 18.181 19.000 -0.166 0.000 0.914 373 A HN 0.897 nan 8.150 nan 0.000 0.525 374 T N 1.431 115.819 114.554 -0.275 0.000 2.620 374 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 374 T C 1.711 175.946 174.700 -0.775 0.000 1.044 374 T CA 2.083 63.974 62.100 -0.348 0.000 1.161 374 T CB -0.270 68.492 68.868 -0.177 0.000 0.862 374 T HN 0.868 nan 8.240 nan 0.000 0.438 375 E N -0.740 118.741 120.200 -1.198 0.000 2.279 375 E HA -0.183 4.167 4.350 -0.000 0.000 0.205 375 E C 1.396 177.533 176.600 -0.771 0.000 1.028 375 E CA 1.354 56.818 56.400 -1.560 0.000 0.830 375 E CB -0.169 28.743 29.700 -1.314 0.000 0.736 375 E HN 0.660 nan 8.360 nan 0.000 0.478 376 F N -1.900 117.823 119.950 -0.378 0.000 2.706 376 F HA 0.036 4.563 4.527 -0.000 0.000 0.308 376 F C 1.726 177.405 175.800 -0.201 0.000 1.095 376 F CA -0.662 57.225 58.000 -0.187 0.000 1.244 376 F CB 0.720 39.704 39.000 -0.027 0.000 1.063 376 F HN -0.110 nan 8.300 nan 0.000 0.582 377 V N 0.240 120.134 119.914 -0.034 0.000 2.223 377 V HA -0.312 3.808 4.120 -0.000 0.000 0.244 377 V C 1.772 177.858 176.094 -0.013 0.000 1.045 377 V CA 2.159 64.439 62.300 -0.033 0.000 1.000 377 V CB -0.483 31.282 31.823 -0.097 0.000 0.635 377 V HN 0.181 nan 8.190 nan 0.000 0.445 378 D N -0.329 120.074 120.400 0.005 0.000 2.104 378 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 378 D C 2.226 178.511 176.300 -0.025 0.000 0.994 378 D CA 1.520 55.547 54.000 0.044 0.000 0.830 378 D CB -0.284 40.569 40.800 0.088 0.000 0.959 378 D HN 0.536 nan 8.370 nan 0.000 0.452 379 E N -0.005 120.154 120.200 -0.067 0.000 2.085 379 E HA -0.186 4.163 4.350 -0.000 0.000 0.194 379 E C 1.966 178.281 176.600 -0.475 0.000 0.994 379 E CA 0.972 57.256 56.400 -0.194 0.000 0.801 379 E CB 0.014 29.635 29.700 -0.131 0.000 0.743 379 E HN 0.208 nan 8.360 nan 0.000 0.453 380 A N 0.505 122.996 122.820 -0.549 0.000 1.858 380 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 380 A C 2.399 179.859 177.584 -0.206 0.000 1.190 380 A CA 1.527 53.237 52.037 -0.545 0.000 0.617 380 A CB -0.897 17.921 19.000 -0.304 0.000 0.827 380 A HN 0.177 nan 8.150 nan 0.000 0.443 381 V N 1.226 121.081 119.914 -0.099 0.000 2.223 381 V HA -0.392 3.727 4.120 -0.000 0.000 0.253 381 V C 2.124 178.215 176.094 -0.006 0.000 1.061 381 V CA 2.632 64.918 62.300 -0.022 0.000 1.035 381 V CB -1.276 30.557 31.823 0.016 0.000 0.653 381 V HN 0.587 nan 8.190 nan 0.000 0.454 382 D N -0.883 119.507 120.400 -0.016 0.000 2.322 382 D HA -0.162 4.477 4.640 -0.000 0.000 0.210 382 D C 2.215 178.540 176.300 0.043 0.000 0.983 382 D CA 0.859 54.869 54.000 0.017 0.000 0.902 382 D CB -0.328 40.474 40.800 0.003 0.000 0.905 382 D HN 0.257 nan 8.370 nan 0.000 0.483 383 R N 0.218 120.711 120.500 -0.013 0.000 2.100 383 R HA 0.156 4.495 4.340 -0.000 0.000 0.220 383 R C 1.764 178.176 176.300 0.186 0.000 1.091 383 R CA 0.918 57.077 56.100 0.098 0.000 0.986 383 R CB -0.138 30.208 30.300 0.076 0.000 0.888 383 R HN 0.173 nan 8.270 nan 0.000 0.444 384 A N -0.775 122.113 122.820 0.113 0.000 2.208 384 A HA -0.039 4.281 4.320 -0.000 0.000 0.209 384 A C 2.178 179.816 177.584 0.089 0.000 1.161 384 A CA 0.533 52.634 52.037 0.108 0.000 0.782 384 A CB -0.293 18.749 19.000 0.070 0.000 0.816 384 A HN 0.375 nan 8.150 nan 0.000 0.477 385 C N -2.878 116.486 119.300 0.107 0.000 2.541 385 C HA 0.088 4.548 4.460 -0.000 0.000 0.284 385 C C 2.275 177.334 174.990 0.116 0.000 1.341 385 C CA 0.777 59.850 59.018 0.092 0.000 1.732 385 C CB -1.287 26.507 27.740 0.089 0.000 2.126 385 C HN 0.760 nan 8.230 nan 0.000 0.505 386 Y N 1.602 121.929 120.300 0.046 0.000 2.114 386 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 386 Y C 2.138 178.073 175.900 0.059 0.000 1.165 386 Y CA 1.636 59.770 58.100 0.056 0.000 1.148 386 Y CB -0.552 37.950 38.460 0.070 0.000 0.972 386 Y HN 0.118 nan 8.280 nan 0.000 0.504 387 L N 0.087 121.377 121.223 0.112 0.000 2.012 387 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 387 L C 2.516 179.335 176.870 -0.085 0.000 1.073 387 L CA 1.657 56.498 54.840 0.002 0.000 0.748 387 L CB -1.395 40.720 42.059 0.093 0.000 0.891 387 L HN 0.387 nan 8.230 nan 0.000 0.431 388 L N -1.405 119.793 121.223 -0.041 0.000 1.994 388 L HA -0.276 4.064 4.340 -0.000 0.000 0.208 388 L C 2.511 179.337 176.870 -0.074 0.000 1.071 388 L CA 1.347 56.156 54.840 -0.051 0.000 0.745 388 L CB -0.398 41.651 42.059 -0.016 0.000 0.892 388 L HN 0.420 nan 8.230 nan 0.000 0.431 389 Q N 0.293 120.046 119.800 -0.079 0.000 1.928 389 Q HA -0.345 3.995 4.340 -0.000 0.000 0.223 389 Q C 1.934 177.837 176.000 -0.161 0.000 1.042 389 Q CA 2.630 58.363 55.803 -0.117 0.000 0.892 389 Q CB -0.144 28.502 28.738 -0.154 0.000 1.001 389 Q HN 0.211 nan 8.270 nan 0.000 0.419 390 E N -0.487 119.549 120.200 -0.273 0.000 2.267 390 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 390 E C 1.270 177.792 176.600 -0.130 0.000 0.998 390 E CA 1.193 57.445 56.400 -0.245 0.000 0.830 390 E CB 0.136 29.623 29.700 -0.354 0.000 0.751 390 E HN 0.566 nan 8.360 nan 0.000 0.491 391 L N -3.019 118.130 121.223 -0.124 0.000 3.515 391 L HA 0.394 4.734 4.340 -0.000 0.000 0.322 391 L C 0.656 177.461 176.870 -0.109 0.000 1.225 391 L CA 0.315 55.083 54.840 -0.120 0.000 1.104 391 L CB 0.739 42.694 42.059 -0.173 0.000 1.506 391 L HN -0.094 nan 8.230 nan 0.000 0.624 392 A N 0.004 122.770 122.820 -0.090 0.000 2.705 392 A HA 0.404 4.724 4.320 -0.000 0.000 0.294 392 A C 1.236 178.789 177.584 -0.053 0.000 1.039 392 A CA 0.387 52.383 52.037 -0.069 0.000 1.005 392 A CB -0.074 18.889 19.000 -0.062 0.000 1.192 392 A HN 0.260 nan 8.150 nan 0.000 0.513 393 S N -1.614 114.053 115.700 -0.056 0.000 3.097 393 S HA -0.226 4.244 4.470 -0.000 0.000 0.371 393 S C 1.015 175.594 174.600 -0.034 0.000 1.153 393 S CA 0.854 59.027 58.200 -0.044 0.000 1.021 393 S CB -2.266 60.915 63.200 -0.032 0.000 0.917 393 S HN 1.753 nan 8.310 nan 0.000 0.584 394 G N 1.250 110.029 108.800 -0.036 0.000 2.667 394 G HA2 0.415 4.375 3.960 -0.000 0.000 0.250 394 G HA3 0.415 4.375 3.960 -0.000 0.000 0.250 394 G C -0.124 174.769 174.900 -0.011 0.000 1.212 394 G CA -0.303 44.786 45.100 -0.018 0.000 0.874 394 G HN 0.746 nan 8.290 nan 0.000 0.561 395 E N -0.831 119.372 120.200 0.005 0.000 2.234 395 E HA 0.469 4.819 4.350 -0.000 0.000 0.266 395 E C -1.571 175.044 176.600 0.025 0.000 0.877 395 E CA -0.894 55.514 56.400 0.013 0.000 0.758 395 E CB 2.309 32.017 29.700 0.014 0.000 1.170 395 E HN 0.164 nan 8.360 nan 0.000 0.415 396 V N 4.321 124.254 119.914 0.033 0.000 2.350 396 V HA 0.156 4.276 4.120 -0.000 0.000 0.276 396 V C -0.013 176.108 176.094 0.046 0.000 1.028 396 V CA -0.594 61.733 62.300 0.045 0.000 0.860 396 V CB 0.976 32.834 31.823 0.059 0.000 0.990 396 V HN 0.628 nan 8.190 nan 0.000 0.453 397 L N 4.771 126.023 121.223 0.047 0.000 2.473 397 L HA 0.217 4.557 4.340 -0.000 0.000 0.268 397 L C 0.735 177.634 176.870 0.049 0.000 1.215 397 L CA 0.731 55.599 54.840 0.046 0.000 0.823 397 L CB 0.281 42.368 42.059 0.047 0.000 1.099 397 L HN 0.610 nan 8.230 nan 0.000 0.483 398 Q N 1.796 121.623 119.800 0.045 0.000 2.373 398 Q HA 0.214 4.553 4.340 -0.000 0.000 0.255 398 Q C -0.834 175.195 176.000 0.048 0.000 0.980 398 Q CA -0.059 55.771 55.803 0.046 0.000 0.882 398 Q CB 0.620 29.382 28.738 0.040 0.000 1.249 398 Q HN 0.602 nan 8.270 nan 0.000 0.438 399 D N -0.241 120.189 120.400 0.051 0.000 9.948 399 D HA -0.172 4.468 4.640 -0.000 0.000 0.354 399 D C -0.673 175.663 176.300 0.060 0.000 2.964 399 D CA 0.551 54.583 54.000 0.053 0.000 2.324 399 D CB -0.250 40.579 40.800 0.048 0.000 1.175 399 D HN 0.742 nan 8.370 nan 0.000 1.063 400 R N -1.450 119.089 120.500 0.065 0.000 2.854 400 R HA 0.734 5.074 4.340 -0.000 0.000 0.271 400 R C -0.969 175.367 176.300 0.060 0.000 0.994 400 R CA -1.110 55.031 56.100 0.067 0.000 0.945 400 R CB 1.406 31.756 30.300 0.083 0.000 1.194 400 R HN 0.188 nan 8.270 nan 0.000 0.476 401 V N 2.416 122.364 119.914 0.056 0.000 2.320 401 V HA 0.200 4.320 4.120 -0.000 0.000 0.265 401 V C 0.022 176.131 176.094 0.026 0.000 1.048 401 V CA -0.367 61.962 62.300 0.047 0.000 0.865 401 V CB 0.540 32.395 31.823 0.053 0.000 1.043 401 V HN 0.866 nan 8.190 nan 0.000 0.474 402 S N 3.509 119.217 115.700 0.013 0.000 2.475 402 S HA 0.689 5.158 4.470 -0.000 0.000 0.298 402 S C -0.286 174.280 174.600 -0.056 0.000 1.119 402 S CA -0.542 57.611 58.200 -0.078 0.000 1.085 402 S CB 1.892 65.129 63.200 0.061 0.000 1.028 402 S HN 0.505 nan 8.310 nan 0.000 0.489 403 S N 1.790 117.408 115.700 -0.135 0.000 2.593 403 S HA 0.805 5.275 4.470 -0.000 0.000 0.297 403 S C 0.333 174.933 174.600 0.001 0.000 1.112 403 S CA 0.561 58.738 58.200 -0.040 0.000 1.043 403 S CB 0.389 63.584 63.200 -0.008 0.000 1.054 403 S HN 2.240 nan 8.310 nan 0.000 0.516 404 G N 3.102 111.955 108.800 0.090 0.000 2.977 404 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 404 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 404 G C -0.853 174.195 174.900 0.246 0.000 1.088 404 G CA -0.223 44.961 45.100 0.139 0.000 0.845 404 G HN 0.831 nan 8.290 nan 0.000 0.565 405 D N 1.455 121.952 120.400 0.161 0.000 2.308 405 D HA 0.423 5.063 4.640 -0.000 0.000 0.251 405 D C 1.744 178.106 176.300 0.104 0.000 1.127 405 D CA -0.580 53.497 54.000 0.128 0.000 0.876 405 D CB 0.843 41.679 40.800 0.060 0.000 1.176 405 D HN 0.302 nan 8.370 nan 0.000 0.446 406 L N 3.156 124.405 121.223 0.043 0.000 2.179 406 L HA 0.234 4.573 4.340 -0.000 0.000 0.208 406 L C 1.678 178.557 176.870 0.015 0.000 1.096 406 L CA 0.683 55.516 54.840 -0.012 0.000 0.779 406 L CB -0.923 41.082 42.059 -0.090 0.000 0.922 406 L HN 0.796 nan 8.230 nan 0.000 0.443 407 G N -0.329 108.442 108.800 -0.050 0.000 2.632 407 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.224 407 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.224 407 G C -0.206 174.602 174.900 -0.154 0.000 1.341 407 G CA -0.224 44.832 45.100 -0.074 0.000 0.880 407 G HN 0.190 nan 8.290 nan 0.000 0.566 408 S N -0.905 114.736 115.700 -0.098 0.000 2.576 408 S HA 0.581 5.050 4.470 -0.000 0.000 0.276 408 S C 1.021 175.675 174.600 0.091 0.000 1.339 408 S CA 0.203 58.336 58.200 -0.111 0.000 1.039 408 S CB 0.153 63.313 63.200 -0.066 0.000 0.902 408 S HN 0.569 nan 8.310 nan 0.000 0.516 409 F N 2.318 122.204 119.950 -0.107 0.000 2.678 409 F HA 0.292 4.819 4.527 -0.000 0.000 0.305 409 F C -0.017 175.694 175.800 -0.149 0.000 1.090 409 F CA -0.521 57.396 58.000 -0.139 0.000 1.272 409 F CB 0.957 39.879 39.000 -0.131 0.000 1.060 409 F HN 0.210 nan 8.300 nan 0.000 0.576 410 V N 0.769 120.711 119.914 0.045 0.000 2.525 410 V HA 0.205 4.325 4.120 -0.000 0.000 0.299 410 V C -0.117 175.933 176.094 -0.073 0.000 1.034 410 V CA -0.722 61.551 62.300 -0.046 0.000 0.863 410 V CB 1.865 33.665 31.823 -0.038 0.000 0.999 410 V HN 0.152 nan 8.190 nan 0.000 0.423 411 T N 3.650 118.132 114.554 -0.120 0.000 2.758 411 T HA 0.657 5.007 4.350 -0.000 0.000 0.285 411 T C -2.786 171.825 174.700 -0.148 0.000 0.981 411 T CA -2.266 59.762 62.100 -0.119 0.000 0.965 411 T CB 1.832 70.630 68.868 -0.115 0.000 0.927 411 T HN 0.407 nan 8.240 nan 0.000 0.448 412 P HA 0.574 nan 4.420 nan 0.000 0.290 412 P C -0.887 176.341 177.300 -0.120 0.000 1.276 412 P CA -0.663 62.366 63.100 -0.117 0.000 0.808 412 P CB 0.792 32.445 31.700 -0.077 0.000 0.966 413 I N 2.845 123.327 120.570 -0.147 0.000 2.436 413 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 413 I C -0.091 175.964 176.117 -0.104 0.000 1.010 413 I CA -0.693 60.529 61.300 -0.130 0.000 1.098 413 I CB 1.700 39.599 38.000 -0.169 0.000 1.266 413 I HN 0.127 nan 8.210 nan 0.000 0.434 414 D N 6.763 127.125 120.400 -0.063 0.000 2.283 414 D HA 0.632 5.272 4.640 -0.000 0.000 0.248 414 D C -0.303 175.985 176.300 -0.020 0.000 1.072 414 D CA -0.025 53.955 54.000 -0.034 0.000 0.929 414 D CB 2.361 43.150 40.800 -0.018 0.000 1.182 414 D HN 0.362 nan 8.370 nan 0.000 0.433 415 I N -0.654 119.923 120.570 0.013 0.000 3.099 415 I HA 0.314 4.484 4.170 -0.000 0.000 0.308 415 I C -1.347 174.807 176.117 0.062 0.000 1.405 415 I CA -0.444 60.881 61.300 0.042 0.000 0.953 415 I CB 2.193 40.231 38.000 0.064 0.000 1.324 415 I HN 0.524 nan 8.210 nan 0.000 0.495 416 T N 1.147 115.738 114.554 0.063 0.000 2.901 416 T HA 0.695 5.045 4.350 -0.000 0.000 0.293 416 T C 0.551 175.286 174.700 0.059 0.000 1.084 416 T CA -0.008 62.123 62.100 0.052 0.000 1.008 416 T CB 1.835 70.723 68.868 0.033 0.000 1.170 416 T HN 0.724 nan 8.240 nan 0.000 0.509 417 A N 0.380 123.224 122.820 0.039 0.000 1.873 417 A HA 0.000 4.320 4.320 -0.000 0.000 0.215 417 A C 2.152 179.760 177.584 0.039 0.000 1.186 417 A CA 1.693 53.748 52.037 0.029 0.000 0.616 417 A CB -1.165 17.832 19.000 -0.005 0.000 0.823 417 A HN 1.028 nan 8.150 nan 0.000 0.442 418 E N -0.125 120.093 120.200 0.029 0.000 2.068 418 E HA -0.352 3.998 4.350 -0.000 0.000 0.207 418 E C 2.069 178.691 176.600 0.036 0.000 1.032 418 E CA 2.118 58.535 56.400 0.029 0.000 0.839 418 E CB -0.154 29.558 29.700 0.020 0.000 0.758 418 E HN 0.377 nan 8.360 nan 0.000 0.457 419 K N 0.363 120.785 120.400 0.037 0.000 2.113 419 K HA -0.137 4.182 4.320 -0.000 0.000 0.208 419 K C 1.955 178.585 176.600 0.049 0.000 1.047 419 K CA 1.389 57.699 56.287 0.038 0.000 0.928 419 K CB -0.608 31.915 32.500 0.039 0.000 0.716 419 K HN 0.089 nan 8.250 nan 0.000 0.446 420 V N 1.539 121.499 119.914 0.076 0.000 2.323 420 V HA -0.210 3.910 4.120 -0.000 0.000 0.244 420 V C 1.729 177.887 176.094 0.107 0.000 1.041 420 V CA 1.993 64.360 62.300 0.111 0.000 1.025 420 V CB -0.562 31.355 31.823 0.156 0.000 0.656 420 V HN 0.414 nan 8.190 nan 0.000 0.451 421 N N 0.160 118.934 118.700 0.124 0.000 2.309 421 N HA -0.161 4.578 4.740 -0.000 0.000 0.182 421 N C 1.737 177.262 175.510 0.025 0.000 1.018 421 N CA 0.943 54.070 53.050 0.128 0.000 0.876 421 N CB -0.213 38.355 38.487 0.136 0.000 0.972 421 N HN 0.337 nan 8.380 nan 0.000 0.434 422 K N 0.205 120.614 120.400 0.015 0.000 2.296 422 K HA 0.128 4.448 4.320 -0.000 0.000 0.200 422 K C 1.640 178.224 176.600 -0.026 0.000 1.048 422 K CA 0.762 57.046 56.287 -0.005 0.000 0.966 422 K CB 0.090 32.593 32.500 0.005 0.000 0.754 422 K HN 0.091 nan 8.250 nan 0.000 0.466 423 T N -0.386 114.147 114.554 -0.036 0.000 3.010 423 T HA 0.150 4.500 4.350 -0.000 0.000 0.252 423 T C 1.658 176.294 174.700 -0.107 0.000 1.047 423 T CA 0.708 62.779 62.100 -0.048 0.000 1.140 423 T CB 0.075 68.929 68.868 -0.022 0.000 0.885 423 T HN 0.012 nan 8.240 nan 0.000 0.464 424 I N 0.225 120.669 120.570 -0.209 0.000 2.556 424 I HA 0.275 4.445 4.170 -0.000 0.000 0.251 424 I C 1.866 177.784 176.117 -0.331 0.000 1.105 424 I CA 0.783 61.848 61.300 -0.393 0.000 1.436 424 I CB 0.141 37.595 38.000 -0.910 0.000 1.139 424 I HN 0.439 nan 8.210 nan 0.000 0.438 425 G N 1.026 109.674 108.800 -0.253 0.000 2.130 425 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 425 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 425 G C 0.274 175.162 174.900 -0.020 0.000 0.999 425 G CA 0.199 45.235 45.100 -0.107 0.000 0.686 425 G HN 0.230 nan 8.290 nan 0.000 0.515 426 F N -0.531 119.428 119.950 0.016 0.000 2.390 426 F HA 0.848 5.375 4.527 -0.000 0.000 0.314 426 F C 0.523 176.311 175.800 -0.021 0.000 1.012 426 F CA -2.595 55.414 58.000 0.016 0.000 1.122 426 F CB 0.035 39.071 39.000 0.061 0.000 1.829 426 F HN -0.035 nan 8.300 nan 0.000 0.557 427 N N -0.283 118.559 118.700 0.237 0.000 2.664 427 N HA 0.311 5.050 4.740 -0.000 0.000 0.287 427 N C -1.838 173.605 175.510 -0.112 0.000 1.869 427 N CA -0.117 52.965 53.050 0.055 0.000 0.832 427 N CB -0.205 38.310 38.487 0.046 0.000 1.293 427 N HN 0.555 nan 8.380 nan 0.000 0.498 428 L N 0.628 121.723 121.223 -0.212 0.000 2.357 428 L HA 0.492 4.832 4.340 -0.000 0.000 0.273 428 L C 1.122 177.869 176.870 -0.205 0.000 1.080 428 L CA -0.745 53.873 54.840 -0.370 0.000 0.803 428 L CB 1.298 42.973 42.059 -0.640 0.000 1.174 428 L HN 0.320 nan 8.230 nan 0.000 0.443 429 S N 0.863 116.443 115.700 -0.200 0.000 2.634 429 S HA 0.130 4.599 4.470 -0.000 0.000 0.261 429 S C 0.720 175.244 174.600 -0.126 0.000 1.271 429 S CA -0.465 57.658 58.200 -0.128 0.000 0.985 429 S CB 0.679 63.812 63.200 -0.110 0.000 0.968 429 S HN 0.664 nan 8.310 nan 0.000 0.568 430 N N 0.594 119.246 118.700 -0.079 0.000 2.289 430 N HA -0.084 4.656 4.740 -0.000 0.000 0.184 430 N C 0.694 176.153 175.510 -0.085 0.000 1.016 430 N CA 1.464 54.477 53.050 -0.062 0.000 0.872 430 N CB -0.157 38.315 38.487 -0.027 0.000 0.973 430 N HN 0.580 nan 8.380 nan 0.000 0.433 431 D N 0.178 120.522 120.400 -0.094 0.000 2.213 431 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 431 D C 1.536 177.756 176.300 -0.133 0.000 0.961 431 D CA 0.620 54.566 54.000 -0.089 0.000 0.853 431 D CB -0.002 40.756 40.800 -0.069 0.000 0.967 431 D HN 0.292 nan 8.370 nan 0.000 0.496 432 E N 0.374 120.465 120.200 -0.182 0.000 2.017 432 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 432 E C 2.232 178.642 176.600 -0.316 0.000 0.997 432 E CA 0.693 56.938 56.400 -0.258 0.000 0.804 432 E CB -0.011 29.472 29.700 -0.362 0.000 0.757 432 E HN 0.245 nan 8.360 nan 0.000 0.448 433 I N 0.866 121.238 120.570 -0.330 0.000 2.127 433 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 433 I C 2.791 178.613 176.117 -0.492 0.000 1.075 433 I CA 1.441 62.488 61.300 -0.422 0.000 1.334 433 I CB -0.390 37.459 38.000 -0.251 0.000 1.040 433 I HN 0.172 nan 8.210 nan 0.000 0.405 434 Q N 0.767 120.434 119.800 -0.222 0.000 2.077 434 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 434 Q C 2.337 178.266 176.000 -0.119 0.000 0.989 434 Q CA 2.424 58.174 55.803 -0.088 0.000 0.853 434 Q CB -0.009 28.717 28.738 -0.021 0.000 0.907 434 Q HN 0.390 nan 8.270 nan 0.000 0.418 435 S N 0.012 115.621 115.700 -0.153 0.000 2.370 435 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 435 S C 1.764 176.266 174.600 -0.162 0.000 1.033 435 S CA 1.295 59.420 58.200 -0.124 0.000 1.011 435 S CB -0.251 62.881 63.200 -0.114 0.000 0.852 435 S HN 0.348 nan 8.310 nan 0.000 0.457 436 I N 0.644 121.038 120.570 -0.293 0.000 2.226 436 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 436 I C 1.784 177.762 176.117 -0.232 0.000 1.100 436 I CA 1.242 62.352 61.300 -0.317 0.000 1.374 436 I CB -0.327 37.398 38.000 -0.459 0.000 1.057 436 I HN 0.211 nan 8.210 nan 0.000 0.413 437 F N 0.511 120.424 119.950 -0.062 0.000 2.186 437 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 437 F C 2.577 178.299 175.800 -0.131 0.000 1.090 437 F CA 1.044 59.006 58.000 -0.063 0.000 1.307 437 F CB -1.063 38.026 39.000 0.149 0.000 1.019 437 F HN -0.090 nan 8.300 nan 0.000 0.489 438 R N 0.399 120.959 120.500 0.099 0.000 2.092 438 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 438 R C 2.231 178.522 176.300 -0.017 0.000 1.119 438 R CA 1.419 57.550 56.100 0.053 0.000 0.970 438 R CB -0.525 29.803 30.300 0.046 0.000 0.864 438 R HN 0.466 nan 8.270 nan 0.000 0.440 439 Q N 0.669 120.434 119.800 -0.058 0.000 2.435 439 Q HA -0.066 4.274 4.340 -0.000 0.000 0.207 439 Q C 1.512 177.440 176.000 -0.120 0.000 0.956 439 Q CA 0.955 56.719 55.803 -0.064 0.000 0.917 439 Q CB 0.120 28.824 28.738 -0.057 0.000 0.997 439 Q HN 0.369 nan 8.270 nan 0.000 0.497 440 L N 0.134 121.193 121.223 -0.273 0.000 2.558 440 L HA 0.203 4.542 4.340 -0.000 0.000 0.225 440 L C 1.082 177.634 176.870 -0.529 0.000 1.128 440 L CA 0.684 55.211 54.840 -0.521 0.000 0.868 440 L CB 0.160 41.598 42.059 -1.035 0.000 1.006 440 L HN 0.567 nan 8.230 nan 0.000 0.454 441 G N -0.507 108.142 108.800 -0.252 0.000 2.141 441 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.231 441 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.231 441 G C 0.193 175.182 174.900 0.149 0.000 0.984 441 G CA -0.564 44.528 45.100 -0.014 0.000 0.660 441 G HN 0.236 nan 8.290 nan 0.000 0.525 442 F N 1.290 121.261 119.950 0.035 0.000 2.424 442 F HA 0.364 4.891 4.527 -0.000 0.000 0.356 442 F C 1.030 176.853 175.800 0.038 0.000 1.110 442 F CA -1.064 56.940 58.000 0.006 0.000 1.161 442 F CB 0.896 39.889 39.000 -0.011 0.000 1.115 442 F HN -0.054 nan 8.300 nan 0.000 0.507 443 E N 2.779 123.096 120.200 0.195 0.000 2.415 443 E HA 0.061 4.411 4.350 -0.000 0.000 0.260 443 E C -0.551 176.113 176.600 0.107 0.000 1.016 443 E CA 0.413 56.886 56.400 0.121 0.000 0.924 443 E CB 0.996 30.739 29.700 0.072 0.000 0.961 443 E HN 0.557 nan 8.360 nan 0.000 0.459 444 T N 2.550 117.173 114.554 0.114 0.000 2.887 444 T HA 0.487 4.837 4.350 -0.000 0.000 0.288 444 T C -0.557 174.187 174.700 0.073 0.000 1.021 444 T CA -0.783 61.385 62.100 0.113 0.000 1.000 444 T CB 1.701 70.686 68.868 0.194 0.000 1.034 444 T HN 0.438 nan 8.240 nan 0.000 0.467 445 T N 0.933 115.520 114.554 0.056 0.000 2.921 445 T HA 0.645 4.995 4.350 -0.000 0.000 0.297 445 T C -1.010 173.712 174.700 0.038 0.000 1.013 445 T CA -0.837 61.286 62.100 0.039 0.000 0.990 445 T CB 1.468 70.351 68.868 0.024 0.000 1.023 445 T HN 0.316 nan 8.240 nan 0.000 0.447 446 L N 1.772 123.013 121.223 0.031 0.000 2.334 446 L HA 0.659 4.999 4.340 -0.000 0.000 0.277 446 L C -0.207 176.674 176.870 0.017 0.000 1.075 446 L CA -0.227 54.629 54.840 0.026 0.000 0.804 446 L CB 0.923 42.995 42.059 0.021 0.000 1.174 446 L HN 0.786 nan 8.230 nan 0.000 0.438 447 K N 3.838 124.247 120.400 0.015 0.000 2.803 447 K HA 0.483 4.802 4.320 -0.000 0.000 0.229 447 K C 0.172 176.777 176.600 0.008 0.000 1.084 447 K CA 0.220 56.513 56.287 0.010 0.000 1.063 447 K CB 0.887 33.391 32.500 0.008 0.000 1.254 447 K HN 0.927 nan 8.250 nan 0.000 0.551 448 G N 2.258 111.062 108.800 0.007 0.000 2.574 448 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.301 448 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.301 448 G C 0.439 175.343 174.900 0.007 0.000 1.166 448 G CA 0.286 45.389 45.100 0.005 0.000 0.971 448 G HN 0.546 nan 8.290 nan 0.000 0.542 449 E N 1.258 121.463 120.200 0.009 0.000 2.476 449 E HA 0.192 4.541 4.350 -0.000 0.000 0.199 449 E C 1.371 177.982 176.600 0.018 0.000 1.021 449 E CA 0.980 57.386 56.400 0.011 0.000 0.907 449 E CB 0.470 30.175 29.700 0.009 0.000 0.974 449 E HN 0.838 nan 8.360 nan 0.000 0.489 450 T N -0.085 114.480 114.554 0.018 0.000 2.744 450 T HA 0.510 4.860 4.350 -0.000 0.000 0.291 450 T C 0.056 174.775 174.700 0.031 0.000 0.957 450 T CA -0.636 61.478 62.100 0.023 0.000 1.002 450 T CB 0.455 69.332 68.868 0.015 0.000 0.919 450 T HN -0.095 nan 8.240 nan 0.000 0.468 451 L N 4.315 125.568 121.223 0.050 0.000 2.290 451 L HA 0.365 4.705 4.340 -0.000 0.000 0.284 451 L C 0.682 177.575 176.870 0.038 0.000 1.078 451 L CA -0.550 54.330 54.840 0.067 0.000 0.815 451 L CB 1.170 43.310 42.059 0.135 0.000 1.162 451 L HN 0.729 nan 8.230 nan 0.000 0.435 452 T N 3.099 117.667 114.554 0.023 0.000 2.743 452 T HA 0.375 4.725 4.350 -0.000 0.000 0.292 452 T C -0.094 174.592 174.700 -0.023 0.000 0.972 452 T CA -0.396 61.697 62.100 -0.011 0.000 0.967 452 T CB 1.156 70.016 68.868 -0.013 0.000 0.926 452 T HN 0.188 nan 8.240 nan 0.000 0.459 453 V N 5.220 125.081 119.914 -0.088 0.000 2.328 453 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 453 V C 0.364 176.347 176.094 -0.185 0.000 1.021 453 V CA -1.137 61.075 62.300 -0.147 0.000 0.838 453 V CB 0.817 32.418 31.823 -0.370 0.000 0.999 453 V HN 0.786 nan 8.190 nan 0.000 0.447 454 N N 4.108 122.734 118.700 -0.124 0.000 2.421 454 N HA 0.155 4.895 4.740 -0.000 0.000 0.260 454 N C -0.333 175.009 175.510 -0.281 0.000 1.173 454 N CA -0.044 52.919 53.050 -0.145 0.000 0.960 454 N CB 1.606 40.058 38.487 -0.058 0.000 1.273 454 N HN 0.423 nan 8.380 nan 0.000 0.497 455 V N 4.756 124.416 119.914 -0.423 0.000 2.488 455 V HA 0.202 4.322 4.120 -0.000 0.000 0.277 455 V C -1.698 174.142 176.094 -0.422 0.000 1.046 455 V CA -1.386 60.497 62.300 -0.695 0.000 0.986 455 V CB 1.093 32.517 31.823 -0.665 0.000 0.989 455 V HN 0.454 nan 8.190 nan 0.000 0.475 456 P HA 0.153 nan 4.420 nan 0.000 0.278 456 P C 0.806 177.934 177.300 -0.287 0.000 1.238 456 P CA -0.309 62.634 63.100 -0.263 0.000 0.794 456 P CB 1.120 32.685 31.700 -0.225 0.000 0.955 457 S N 3.080 118.614 115.700 -0.277 0.000 2.440 457 S HA -0.229 4.241 4.470 -0.000 0.000 0.238 457 S C 1.703 176.092 174.600 -0.350 0.000 1.010 457 S CA 0.874 58.902 58.200 -0.287 0.000 0.972 457 S CB -0.921 62.089 63.200 -0.317 0.000 0.774 457 S HN 0.623 nan 8.310 nan 0.000 0.501 458 R N 1.007 121.228 120.500 -0.464 0.000 2.193 458 R HA 0.045 4.385 4.340 -0.000 0.000 0.229 458 R C 0.425 176.614 176.300 -0.186 0.000 1.110 458 R CA 0.638 56.480 56.100 -0.430 0.000 0.988 458 R CB -0.210 29.732 30.300 -0.597 0.000 0.871 458 R HN 0.153 nan 8.270 nan 0.000 0.458 459 R N 2.272 122.670 120.500 -0.169 0.000 2.937 459 R HA 0.110 4.450 4.340 -0.000 0.000 0.264 459 R C -0.016 176.210 176.300 -0.122 0.000 1.334 459 R CA -0.104 55.940 56.100 -0.092 0.000 1.516 459 R CB 1.056 31.343 30.300 -0.021 0.000 1.187 459 R HN 0.416 nan 8.270 nan 0.000 0.609 460 K N -0.056 120.285 120.400 -0.099 0.000 2.555 460 K HA -0.053 4.267 4.320 -0.000 0.000 0.193 460 K C 0.475 177.038 176.600 -0.062 0.000 1.032 460 K CA 0.751 56.984 56.287 -0.089 0.000 1.004 460 K CB 0.292 32.748 32.500 -0.074 0.000 0.804 460 K HN 0.227 nan 8.250 nan 0.000 0.496 461 D N 1.061 121.433 120.400 -0.046 0.000 2.350 461 D HA -0.006 4.633 4.640 -0.000 0.000 0.213 461 D C 0.492 176.771 176.300 -0.035 0.000 1.031 461 D CA -0.057 53.928 54.000 -0.026 0.000 0.861 461 D CB 0.066 40.865 40.800 -0.001 0.000 0.926 461 D HN 0.225 nan 8.370 nan 0.000 0.520 462 I N 1.919 122.447 120.570 -0.070 0.000 2.291 462 I HA 0.145 4.314 4.170 -0.000 0.000 0.290 462 I C 0.739 176.775 176.117 -0.136 0.000 1.050 462 I CA -0.158 61.079 61.300 -0.104 0.000 1.245 462 I CB 1.466 39.370 38.000 -0.160 0.000 1.405 462 I HN -0.093 nan 8.210 nan 0.000 0.478 463 T N 2.973 117.467 114.554 -0.099 0.000 3.010 463 T HA 0.342 4.691 4.350 -0.000 0.000 0.253 463 T C 0.434 175.085 174.700 -0.082 0.000 0.939 463 T CA -0.057 61.989 62.100 -0.090 0.000 0.910 463 T CB 0.272 69.104 68.868 -0.060 0.000 1.226 463 T HN 0.453 nan 8.240 nan 0.000 0.508 464 I N -0.342 120.187 120.570 -0.068 0.000 3.108 464 I HA 0.592 4.762 4.170 -0.000 0.000 0.312 464 I C 1.109 177.194 176.117 -0.053 0.000 1.095 464 I CA -1.500 59.768 61.300 -0.053 0.000 1.000 464 I CB 2.371 40.353 38.000 -0.029 0.000 1.229 464 I HN -0.066 nan 8.210 nan 0.000 0.454 465 K N 0.965 121.342 120.400 -0.038 0.000 2.147 465 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 465 K C 1.083 177.689 176.600 0.009 0.000 1.049 465 K CA 1.781 58.054 56.287 -0.023 0.000 0.936 465 K CB -0.265 32.232 32.500 -0.006 0.000 0.722 465 K HN 0.664 nan 8.250 nan 0.000 0.446 466 E N 1.513 121.719 120.200 0.011 0.000 2.110 466 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 466 E C 1.620 178.245 176.600 0.043 0.000 0.988 466 E CA 1.399 57.817 56.400 0.030 0.000 0.804 466 E CB -0.156 29.557 29.700 0.022 0.000 0.745 466 E HN 0.341 nan 8.360 nan 0.000 0.458 467 D N -0.123 120.291 120.400 0.023 0.000 2.149 467 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 467 D C 1.652 177.992 176.300 0.066 0.000 0.990 467 D CA 0.730 54.749 54.000 0.032 0.000 0.839 467 D CB -0.013 40.783 40.800 -0.007 0.000 0.948 467 D HN 0.107 nan 8.370 nan 0.000 0.460 468 L N 0.744 121.994 121.223 0.044 0.000 2.109 468 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 468 L C 2.380 179.411 176.870 0.269 0.000 1.086 468 L CA 0.795 55.694 54.840 0.098 0.000 0.760 468 L CB -0.839 41.163 42.059 -0.095 0.000 0.910 468 L HN 0.034 nan 8.230 nan 0.000 0.437 469 I N -0.391 120.287 120.570 0.181 0.000 2.118 469 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 469 I C 2.504 178.713 176.117 0.153 0.000 1.070 469 I CA 1.712 63.113 61.300 0.168 0.000 1.327 469 I CB -0.297 37.765 38.000 0.103 0.000 1.034 469 I HN 0.326 nan 8.210 nan 0.000 0.405 470 E N 0.968 121.247 120.200 0.131 0.000 2.097 470 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 470 E C 2.092 178.768 176.600 0.127 0.000 1.000 470 E CA 1.531 58.009 56.400 0.129 0.000 0.804 470 E CB 0.059 29.835 29.700 0.126 0.000 0.740 470 E HN 0.357 nan 8.360 nan 0.000 0.454 471 E N 0.097 120.402 120.200 0.175 0.000 2.058 471 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 471 E C 2.316 178.997 176.600 0.134 0.000 0.997 471 E CA 1.416 57.929 56.400 0.190 0.000 0.801 471 E CB -0.417 29.482 29.700 0.331 0.000 0.746 471 E HN 0.263 nan 8.360 nan 0.000 0.450 472 V N 1.869 121.883 119.914 0.167 0.000 2.255 472 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 472 V C 2.533 178.674 176.094 0.078 0.000 1.051 472 V CA 1.951 64.284 62.300 0.055 0.000 1.018 472 V CB -1.112 30.750 31.823 0.064 0.000 0.641 472 V HN 0.263 nan 8.190 nan 0.000 0.445 473 A N 1.508 124.370 122.820 0.071 0.000 1.873 473 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 473 A C 2.406 179.720 177.584 -0.451 0.000 1.193 473 A CA 2.643 54.603 52.037 -0.128 0.000 0.629 473 A CB -0.694 18.180 19.000 -0.211 0.000 0.826 473 A HN 0.689 nan 8.150 nan 0.000 0.447 474 R N -0.484 119.823 120.500 -0.321 0.000 2.120 474 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 474 R C 1.713 177.929 176.300 -0.140 0.000 1.123 474 R CA 1.809 57.756 56.100 -0.254 0.000 0.975 474 R CB -0.484 29.837 30.300 0.034 0.000 0.866 474 R HN 0.486 nan 8.270 nan 0.000 0.446 475 I N -0.005 120.517 120.570 -0.079 0.000 2.296 475 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 475 I C 2.410 178.494 176.117 -0.055 0.000 1.087 475 I CA 0.977 62.242 61.300 -0.058 0.000 1.393 475 I CB -1.102 36.870 38.000 -0.046 0.000 1.093 475 I HN 0.105 nan 8.210 nan 0.000 0.421 476 Y N 2.284 122.490 120.300 -0.157 0.000 2.293 476 Y HA 0.121 4.670 4.550 -0.000 0.000 0.291 476 Y C 1.042 176.868 175.900 -0.124 0.000 1.137 476 Y CA 0.980 58.978 58.100 -0.171 0.000 1.202 476 Y CB 0.131 38.436 38.460 -0.257 0.000 0.990 476 Y HN 0.272 nan 8.280 nan 0.000 0.537 477 G N -1.716 106.994 108.800 -0.149 0.000 2.841 477 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.684 477 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.684 477 G C -0.743 174.102 174.900 -0.092 0.000 1.273 477 G CA -0.353 44.639 45.100 -0.181 0.000 0.811 477 G HN 0.181 nan 8.290 nan 0.000 0.631 478 Y N 0.274 120.595 120.300 0.035 0.000 2.544 478 Y HA 0.089 4.639 4.550 -0.000 0.000 0.286 478 Y C 2.363 178.278 175.900 0.024 0.000 1.141 478 Y CA 0.940 59.068 58.100 0.047 0.000 1.299 478 Y CB 0.293 38.764 38.460 0.019 0.000 1.030 478 Y HN 0.568 nan 8.280 nan 0.000 0.543 479 D N 0.193 120.663 120.400 0.116 0.000 2.309 479 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 479 D C 1.681 178.011 176.300 0.049 0.000 0.968 479 D CA 1.017 55.049 54.000 0.053 0.000 0.882 479 D CB 0.199 40.995 40.800 -0.006 0.000 0.918 479 D HN 0.364 nan 8.370 nan 0.000 0.503 480 E N -0.039 120.204 120.200 0.072 0.000 2.162 480 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 480 E C 0.830 177.554 176.600 0.206 0.000 0.953 480 E CA -0.217 56.241 56.400 0.096 0.000 0.849 480 E CB 0.111 29.825 29.700 0.022 0.000 0.810 480 E HN 0.289 nan 8.360 nan 0.000 0.470 481 I N 5.179 125.898 120.570 0.249 0.000 3.353 481 I HA -0.155 4.015 4.170 -0.000 0.000 0.323 481 I C -1.676 174.497 176.117 0.093 0.000 1.254 481 I CA -0.373 61.009 61.300 0.138 0.000 1.395 481 I CB -0.439 37.594 38.000 0.055 0.000 1.387 481 I HN -0.010 nan 8.210 nan 0.000 0.504 482 P HA 0.049 nan 4.420 nan 0.000 0.272 482 P C -0.495 176.822 177.300 0.027 0.000 1.254 482 P CA -0.483 62.650 63.100 0.055 0.000 0.795 482 P CB 0.721 32.455 31.700 0.058 0.000 1.022 483 S N -0.547 115.163 115.700 0.018 0.000 2.519 483 S HA 0.593 5.062 4.470 -0.000 0.000 0.309 483 S C -0.461 174.137 174.600 -0.003 0.000 1.100 483 S CA -0.335 57.869 58.200 0.006 0.000 1.059 483 S CB -0.024 63.181 63.200 0.008 0.000 1.008 483 S HN 0.656 nan 8.310 nan 0.000 0.478 484 S N 4.524 120.216 115.700 -0.014 0.000 2.685 484 S HA 0.803 5.273 4.470 -0.000 0.000 0.282 484 S C -1.464 173.114 174.600 -0.036 0.000 1.159 484 S CA -0.868 57.318 58.200 -0.025 0.000 0.833 484 S CB 0.958 64.139 63.200 -0.031 0.000 1.151 484 S HN 0.657 nan 8.310 nan 0.000 0.485 485 L N 1.633 122.825 121.223 -0.051 0.000 2.386 485 L HA 0.610 4.950 4.340 -0.000 0.000 0.271 485 L C -2.284 174.502 176.870 -0.141 0.000 0.993 485 L CA -1.984 52.815 54.840 -0.069 0.000 0.819 485 L CB 2.169 44.204 42.059 -0.040 0.000 1.294 485 L HN 0.639 nan 8.230 nan 0.000 0.414 486 P HA 0.161 nan 4.420 nan 0.000 0.271 486 P C -0.936 175.982 177.300 -0.637 0.000 1.220 486 P CA -0.240 62.591 63.100 -0.448 0.000 0.768 486 P CB 1.132 32.489 31.700 -0.572 0.000 0.848 487 V N 4.522 124.134 119.914 -0.503 0.000 2.328 487 V HA 0.250 4.370 4.120 -0.000 0.000 0.278 487 V C -0.157 175.748 176.094 -0.315 0.000 1.021 487 V CA -0.397 61.703 62.300 -0.334 0.000 0.838 487 V CB 0.057 31.792 31.823 -0.146 0.000 0.999 487 V HN 0.337 nan 8.190 nan 0.000 0.447 488 F N 2.840 122.793 119.950 0.004 0.000 2.410 488 F HA 0.557 5.083 4.527 -0.001 0.000 0.349 488 F C 1.357 177.160 175.800 0.004 0.000 1.117 488 F CA -0.513 57.490 58.000 0.004 0.000 1.104 488 F CB 1.649 40.652 39.000 0.005 0.000 1.122 488 F HN 0.525 nan 8.300 nan 0.000 0.483 489 G N 1.825 110.733 108.800 0.180 0.000 2.595 489 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.213 489 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.213 489 G C 0.272 175.225 174.900 0.089 0.000 1.141 489 G CA -0.127 45.032 45.100 0.099 0.000 0.806 489 G HN 0.540 nan 8.290 nan 0.000 0.530 490 E N 0.954 121.215 120.200 0.102 0.000 2.104 490 E HA 0.370 4.720 4.350 -0.000 0.000 0.278 490 E C -0.610 176.026 176.600 0.059 0.000 1.127 490 E CA -0.359 56.077 56.400 0.061 0.000 0.897 490 E CB 0.956 30.679 29.700 0.038 0.000 1.043 490 E HN -0.048 nan 8.360 nan 0.000 0.410 491 V N 3.931 123.872 119.914 0.046 0.000 2.509 491 V HA 0.408 4.528 4.120 -0.000 0.000 0.284 491 V C 0.275 176.376 176.094 0.011 0.000 1.047 491 V CA -0.302 62.023 62.300 0.042 0.000 0.952 491 V CB 1.723 33.573 31.823 0.046 0.000 0.988 491 V HN 0.649 nan 8.190 nan 0.000 0.469 492 T N 2.731 117.282 114.554 -0.005 0.000 3.041 492 T HA 0.308 4.658 4.350 -0.000 0.000 0.321 492 T C -0.786 173.901 174.700 -0.022 0.000 1.184 492 T CA -0.339 61.747 62.100 -0.024 0.000 1.050 492 T CB 1.637 70.474 68.868 -0.052 0.000 1.159 492 T HN 0.769 nan 8.240 nan 0.000 0.469 493 S N 2.625 118.317 115.700 -0.014 0.000 2.489 493 S HA 0.592 5.062 4.470 -0.000 0.000 0.277 493 S C 0.715 175.307 174.600 -0.015 0.000 1.230 493 S CA -0.248 57.948 58.200 -0.007 0.000 1.053 493 S CB 0.175 63.375 63.200 -0.001 0.000 0.955 493 S HN 0.961 nan 8.310 nan 0.000 0.488 494 G N 4.034 112.826 108.800 -0.013 0.000 2.358 494 G HA2 0.477 4.437 3.960 -0.000 0.000 0.273 494 G HA3 0.477 4.437 3.960 -0.000 0.000 0.273 494 G C -0.788 174.114 174.900 0.004 0.000 1.215 494 G CA -0.392 44.699 45.100 -0.014 0.000 0.910 494 G HN 0.757 nan 8.290 nan 0.000 0.467 495 E N 1.378 121.582 120.200 0.007 0.000 2.356 495 E HA 0.299 4.649 4.350 -0.000 0.000 0.275 495 E C -0.393 176.229 176.600 0.036 0.000 0.904 495 E CA -0.859 55.555 56.400 0.023 0.000 0.757 495 E CB 2.229 31.936 29.700 0.013 0.000 1.232 495 E HN 0.370 nan 8.360 nan 0.000 0.442 496 L N 2.196 123.460 121.223 0.068 0.000 2.514 496 L HA 0.092 4.431 4.340 -0.000 0.000 0.280 496 L C 1.173 178.084 176.870 0.069 0.000 1.223 496 L CA 0.031 54.922 54.840 0.085 0.000 0.864 496 L CB -0.178 41.971 42.059 0.149 0.000 1.118 496 L HN 0.737 nan 8.230 nan 0.000 0.494 497 T N -1.881 112.706 114.554 0.056 0.000 2.619 497 T HA -0.025 4.325 4.350 -0.000 0.000 0.330 497 T C 0.770 175.510 174.700 0.066 0.000 1.037 497 T CA -0.400 61.725 62.100 0.043 0.000 1.005 497 T CB 0.641 69.529 68.868 0.033 0.000 1.084 497 T HN 0.554 nan 8.240 nan 0.000 0.521 498 D N -0.496 119.927 120.400 0.039 0.000 2.123 498 D HA -0.016 4.624 4.640 -0.000 0.000 0.200 498 D C 2.284 178.631 176.300 0.078 0.000 0.976 498 D CA 0.960 54.986 54.000 0.043 0.000 0.831 498 D CB -0.354 40.449 40.800 0.004 0.000 0.974 498 D HN 0.653 nan 8.370 nan 0.000 0.469 499 R N 0.694 121.223 120.500 0.049 0.000 2.091 499 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 499 R C 2.113 178.474 176.300 0.101 0.000 1.136 499 R CA 1.414 57.543 56.100 0.049 0.000 0.959 499 R CB 0.007 30.319 30.300 0.021 0.000 0.856 499 R HN 0.178 nan 8.270 nan 0.000 0.437 500 Q N -1.137 118.725 119.800 0.104 0.000 2.119 500 Q HA -0.187 4.153 4.340 -0.000 0.000 0.201 500 Q C 2.061 178.132 176.000 0.117 0.000 0.972 500 Q CA 1.425 57.292 55.803 0.106 0.000 0.847 500 Q CB -0.133 28.657 28.738 0.087 0.000 0.903 500 Q HN 0.516 nan 8.270 nan 0.000 0.433 501 H N 1.062 120.160 119.070 0.046 0.000 2.333 501 H HA -0.026 4.529 4.556 -0.000 0.000 0.302 501 H C 1.643 177.001 175.328 0.051 0.000 1.075 501 H CA 1.291 57.364 56.048 0.042 0.000 1.348 501 H CB 0.409 30.190 29.762 0.032 0.000 1.393 501 H HN 0.085 nan 8.280 nan 0.000 0.509 502 K N -0.369 120.151 120.400 0.200 0.000 2.103 502 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 502 K C 2.148 178.825 176.600 0.130 0.000 1.048 502 K CA 1.806 58.182 56.287 0.147 0.000 0.930 502 K CB 0.055 32.630 32.500 0.124 0.000 0.716 502 K HN 0.266 nan 8.250 nan 0.000 0.444 503 T N 0.570 115.218 114.554 0.155 0.000 2.812 503 T HA -0.074 4.276 4.350 -0.000 0.000 0.264 503 T C 1.812 176.538 174.700 0.045 0.000 1.042 503 T CA 1.012 63.214 62.100 0.169 0.000 1.140 503 T CB -0.075 68.916 68.868 0.204 0.000 0.870 503 T HN 0.209 nan 8.240 nan 0.000 0.445 504 R N 0.547 121.043 120.500 -0.006 0.000 2.096 504 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 504 R C 2.666 178.917 176.300 -0.081 0.000 1.127 504 R CA 1.591 57.657 56.100 -0.057 0.000 0.968 504 R CB -0.438 29.800 30.300 -0.103 0.000 0.861 504 R HN 0.298 nan 8.270 nan 0.000 0.440 505 T N 1.220 115.713 114.554 -0.103 0.000 2.770 505 T HA -0.080 4.269 4.350 -0.000 0.000 0.263 505 T C 1.680 176.351 174.700 -0.048 0.000 1.039 505 T CA 0.872 62.922 62.100 -0.083 0.000 1.142 505 T CB -0.185 68.652 68.868 -0.051 0.000 0.868 505 T HN 0.110 nan 8.240 nan 0.000 0.435 506 L N 1.318 122.526 121.223 -0.025 0.000 2.043 506 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 506 L C 2.182 178.963 176.870 -0.148 0.000 1.075 506 L CA 1.893 56.701 54.840 -0.052 0.000 0.752 506 L CB -0.393 41.675 42.059 0.014 0.000 0.891 506 L HN 0.080 nan 8.230 nan 0.000 0.432 507 K N -0.755 119.565 120.400 -0.134 0.000 2.097 507 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 507 K C 2.012 178.556 176.600 -0.093 0.000 1.050 507 K CA 1.275 57.464 56.287 -0.163 0.000 0.938 507 K CB -0.145 32.363 32.500 0.014 0.000 0.718 507 K HN 0.360 nan 8.250 nan 0.000 0.442 508 E N 0.222 120.390 120.200 -0.055 0.000 2.118 508 E HA -0.179 4.170 4.350 -0.000 0.000 0.195 508 E C 2.071 178.645 176.600 -0.045 0.000 0.992 508 E CA 1.277 57.656 56.400 -0.034 0.000 0.804 508 E CB -0.331 29.350 29.700 -0.031 0.000 0.741 508 E HN 0.221 nan 8.360 nan 0.000 0.458 509 T N 1.159 115.670 114.554 -0.071 0.000 2.701 509 T HA -0.060 4.290 4.350 -0.000 0.000 0.263 509 T C 2.131 176.779 174.700 -0.086 0.000 1.040 509 T CA 0.717 62.776 62.100 -0.068 0.000 1.147 509 T CB -0.172 68.655 68.868 -0.068 0.000 0.865 509 T HN 0.029 nan 8.240 nan 0.000 0.426 510 L N 0.525 121.641 121.223 -0.178 0.000 1.990 510 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 510 L C 2.703 179.543 176.870 -0.049 0.000 1.072 510 L CA 1.813 56.528 54.840 -0.208 0.000 0.755 510 L CB -0.522 41.158 42.059 -0.631 0.000 0.889 510 L HN 0.339 nan 8.230 nan 0.000 0.432 511 E N -0.241 119.948 120.200 -0.018 0.000 2.110 511 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 511 E C 2.167 178.805 176.600 0.062 0.000 0.988 511 E CA 1.015 57.471 56.400 0.092 0.000 0.804 511 E CB -0.319 29.445 29.700 0.107 0.000 0.745 511 E HN 0.549 nan 8.360 nan 0.000 0.458 512 G N 0.443 109.260 108.800 0.028 0.000 2.470 512 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.220 512 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.220 512 G C 1.342 176.269 174.900 0.046 0.000 1.121 512 G CA 0.666 45.782 45.100 0.027 0.000 0.766 512 G HN 0.318 nan 8.290 nan 0.000 0.553 513 A N -0.641 122.220 122.820 0.067 0.000 2.307 513 A HA 0.520 4.840 4.320 -0.000 0.000 0.218 513 A C 1.813 179.524 177.584 0.211 0.000 1.228 513 A CA 1.102 53.221 52.037 0.136 0.000 0.857 513 A CB -0.238 18.826 19.000 0.106 0.000 0.897 513 A HN 1.467 nan 8.150 nan 0.000 0.495 514 G N -1.653 107.233 108.800 0.143 0.000 2.159 514 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.227 514 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.227 514 G C -0.194 174.811 174.900 0.175 0.000 0.986 514 G CA 0.053 45.237 45.100 0.141 0.000 0.651 514 G HN 0.331 nan 8.290 nan 0.000 0.523 515 L N 1.892 123.238 121.223 0.204 0.000 2.292 515 L HA 0.469 4.808 4.340 -0.000 0.000 0.284 515 L C 0.282 177.315 176.870 0.272 0.000 1.065 515 L CA -0.820 54.175 54.840 0.259 0.000 0.806 515 L CB 1.073 43.340 42.059 0.348 0.000 1.175 515 L HN 0.107 nan 8.230 nan 0.000 0.431 516 N N 2.741 121.529 118.700 0.147 0.000 2.514 516 N HA 0.063 4.803 4.740 -0.000 0.000 0.277 516 N C -0.285 175.111 175.510 -0.190 0.000 1.126 516 N CA -0.305 52.764 53.050 0.032 0.000 0.978 516 N CB 1.027 39.509 38.487 -0.009 0.000 1.106 516 N HN 0.574 nan 8.380 nan 0.000 0.461 517 Q N 1.215 120.811 119.800 -0.341 0.000 2.262 517 Q HA 0.257 4.597 4.340 -0.000 0.000 0.272 517 Q C -0.607 175.119 176.000 -0.456 0.000 1.076 517 Q CA -0.363 54.969 55.803 -0.785 0.000 0.905 517 Q CB 0.436 28.924 28.738 -0.416 0.000 1.182 517 Q HN 0.626 nan 8.270 nan 0.000 0.390 518 A N 4.943 127.483 122.820 -0.467 0.000 2.286 518 A HA 0.652 4.972 4.320 -0.000 0.000 0.286 518 A C -0.492 176.946 177.584 -0.244 0.000 1.097 518 A CA -0.495 51.375 52.037 -0.279 0.000 0.821 518 A CB 0.743 19.612 19.000 -0.218 0.000 1.076 518 A HN 0.826 nan 8.150 nan 0.000 0.490 519 I N 1.257 121.704 120.570 -0.205 0.000 2.500 519 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 519 I C -0.006 175.972 176.117 -0.231 0.000 1.063 519 I CA -0.271 60.917 61.300 -0.186 0.000 1.062 519 I CB 2.442 40.341 38.000 -0.169 0.000 1.223 519 I HN 0.821 nan 8.210 nan 0.000 0.435 520 T N 1.421 115.871 114.554 -0.174 0.000 2.932 520 T HA 0.537 4.887 4.350 -0.000 0.000 0.289 520 T C -0.439 174.182 174.700 -0.131 0.000 1.039 520 T CA -0.704 61.289 62.100 -0.177 0.000 1.024 520 T CB 1.117 69.987 68.868 0.003 0.000 1.090 520 T HN 0.155 nan 8.240 nan 0.000 0.496 521 Y N 1.533 121.864 120.300 0.051 0.000 2.717 521 Y HA 0.149 4.699 4.550 -0.000 0.000 0.330 521 Y C 2.122 178.181 175.900 0.265 0.000 1.217 521 Y CA -0.049 58.124 58.100 0.122 0.000 1.506 521 Y CB -0.114 38.386 38.460 0.067 0.000 1.268 521 Y HN 0.806 nan 8.280 nan 0.000 0.561 522 S N 2.084 117.974 115.700 0.317 0.000 2.402 522 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 522 S C 0.630 175.334 174.600 0.172 0.000 1.021 522 S CA 0.531 58.872 58.200 0.234 0.000 0.974 522 S CB -0.149 63.157 63.200 0.177 0.000 0.800 522 S HN 0.455 nan 8.310 nan 0.000 0.484 523 L N 2.973 124.321 121.223 0.208 0.000 2.281 523 L HA 0.374 4.714 4.340 -0.000 0.000 0.285 523 L C 0.153 177.206 176.870 0.305 0.000 1.074 523 L CA -0.699 54.242 54.840 0.169 0.000 0.817 523 L CB 0.965 43.104 42.059 0.133 0.000 1.168 523 L HN 0.079 nan 8.230 nan 0.000 0.434 524 V N 0.190 120.161 119.914 0.094 0.000 3.240 524 V HA 0.673 4.793 4.120 -0.000 0.000 0.306 524 V C 0.334 176.444 176.094 0.027 0.000 1.227 524 V CA -0.745 61.567 62.300 0.020 0.000 1.047 524 V CB 1.621 33.346 31.823 -0.164 0.000 1.203 524 V HN 0.753 nan 8.190 nan 0.000 0.471 525 S N -0.355 115.375 115.700 0.050 0.000 2.593 525 S HA 0.245 4.715 4.470 -0.000 0.000 0.269 525 S C 0.863 175.474 174.600 0.018 0.000 1.334 525 S CA 0.468 58.687 58.200 0.031 0.000 1.015 525 S CB 0.966 64.203 63.200 0.062 0.000 0.912 525 S HN 1.055 nan 8.310 nan 0.000 0.541 526 K N 0.860 121.250 120.400 -0.017 0.000 2.147 526 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 526 K C 1.009 177.582 176.600 -0.045 0.000 1.049 526 K CA 1.936 58.209 56.287 -0.024 0.000 0.936 526 K CB -0.340 32.143 32.500 -0.029 0.000 0.722 526 K HN 0.708 nan 8.250 nan 0.000 0.446 527 D N -0.691 119.649 120.400 -0.101 0.000 2.348 527 D HA -0.056 4.584 4.640 -0.000 0.000 0.211 527 D C 1.115 177.281 176.300 -0.223 0.000 0.998 527 D CA 0.545 54.443 54.000 -0.170 0.000 0.873 527 D CB 0.090 40.747 40.800 -0.239 0.000 0.925 527 D HN 0.366 nan 8.370 nan 0.000 0.524 528 H N 0.338 119.384 119.070 -0.039 0.000 2.551 528 H HA 0.239 4.795 4.556 -0.000 0.000 0.266 528 H C 1.928 177.238 175.328 -0.031 0.000 0.964 528 H CA 0.326 56.349 56.048 -0.041 0.000 1.180 528 H CB 0.377 30.115 29.762 -0.040 0.000 1.408 528 H HN 0.062 nan 8.280 nan 0.000 0.563 529 A N 0.986 123.850 122.820 0.074 0.000 2.015 529 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 529 A C 2.038 179.664 177.584 0.070 0.000 1.163 529 A CA 1.128 53.196 52.037 0.053 0.000 0.646 529 A CB -0.067 18.950 19.000 0.027 0.000 0.806 529 A HN 0.203 nan 8.150 nan 0.000 0.448 530 K N 0.198 120.635 120.400 0.061 0.000 2.358 530 K HA 0.068 4.388 4.320 -0.000 0.000 0.197 530 K C -0.845 175.792 176.600 0.062 0.000 1.025 530 K CA -0.242 56.092 56.287 0.078 0.000 1.104 530 K CB 0.217 32.746 32.500 0.049 0.000 0.855 530 K HN 0.332 nan 8.250 nan 0.000 0.531 531 D N 0.942 121.363 120.400 0.035 0.000 2.493 531 D HA -0.048 4.592 4.640 -0.000 0.000 0.240 531 D C 0.521 176.860 176.300 0.066 0.000 1.142 531 D CA 0.622 54.542 54.000 -0.133 0.000 0.872 531 D CB 0.175 40.894 40.800 -0.136 0.000 1.173 531 D HN 0.035 nan 8.370 nan 0.000 0.467 532 F N -1.303 118.719 119.950 0.120 0.000 2.748 532 F HA -0.300 4.227 4.527 -0.000 0.000 0.370 532 F C 1.213 177.173 175.800 0.266 0.000 0.620 532 F CA 0.444 58.543 58.000 0.165 0.000 1.233 532 F CB -2.051 37.112 39.000 0.273 0.000 1.708 532 F HN 0.438 nan 8.300 nan 0.000 0.298 533 A N 0.768 123.801 122.820 0.354 0.000 2.586 533 A HA 0.352 4.672 4.320 -0.000 0.000 0.231 533 A C 1.197 178.945 177.584 0.274 0.000 1.055 533 A CA 0.668 52.916 52.037 0.352 0.000 0.756 533 A CB 0.222 19.397 19.000 0.292 0.000 0.988 533 A HN 0.405 nan 8.150 nan 0.000 0.509 534 L N 0.596 121.976 121.223 0.261 0.000 2.115 534 L HA 0.017 4.356 4.340 -0.000 0.000 0.200 534 L C 0.923 177.840 176.870 0.077 0.000 1.094 534 L CA 0.417 55.355 54.840 0.164 0.000 0.769 534 L CB -0.785 41.363 42.059 0.149 0.000 0.931 534 L HN 0.799 nan 8.230 nan 0.000 0.455 535 Q N 0.874 120.683 119.800 0.015 0.000 2.352 535 Q HA 0.129 4.469 4.340 -0.000 0.000 0.260 535 Q C -0.497 175.521 176.000 0.030 0.000 0.976 535 Q CA 0.007 55.800 55.803 -0.016 0.000 0.881 535 Q CB 0.275 28.950 28.738 -0.105 0.000 1.235 535 Q HN 0.050 nan 8.270 nan 0.000 0.419 536 E N 2.148 122.365 120.200 0.028 0.000 2.498 536 E HA -0.052 4.297 4.350 -0.000 0.000 0.252 536 E C -0.621 176.001 176.600 0.037 0.000 1.025 536 E CA 0.272 56.697 56.400 0.040 0.000 0.938 536 E CB 0.313 30.028 29.700 0.025 0.000 0.947 536 E HN 0.205 nan 8.360 nan 0.000 0.478 537 R N 3.840 124.392 120.500 0.086 0.000 2.626 537 R HA 0.402 4.742 4.340 -0.000 0.000 0.274 537 R C -2.696 173.696 176.300 0.154 0.000 1.031 537 R CA -2.496 53.671 56.100 0.113 0.000 0.898 537 R CB 1.331 31.735 30.300 0.173 0.000 1.222 537 R HN 0.364 nan 8.270 nan 0.000 0.455 538 P HA 0.179 nan 4.420 nan 0.000 0.274 538 P C -0.231 177.144 177.300 0.125 0.000 1.231 538 P CA -0.210 62.953 63.100 0.105 0.000 0.790 538 P CB 0.563 32.307 31.700 0.074 0.000 0.951 539 T N -0.943 113.661 114.554 0.083 0.000 2.934 539 T HA 0.587 4.937 4.350 -0.000 0.000 0.283 539 T C 0.157 174.877 174.700 0.033 0.000 1.005 539 T CA -0.773 61.363 62.100 0.061 0.000 1.041 539 T CB 0.524 69.415 68.868 0.038 0.000 1.042 539 T HN 0.127 nan 8.240 nan 0.000 0.505 540 I N 2.496 123.070 120.570 0.006 0.000 2.354 540 I HA 0.305 4.475 4.170 -0.000 0.000 0.286 540 I C 0.006 176.093 176.117 -0.049 0.000 1.007 540 I CA -0.564 60.721 61.300 -0.025 0.000 1.167 540 I CB 1.087 39.051 38.000 -0.060 0.000 1.320 540 I HN 0.699 nan 8.210 nan 0.000 0.458 541 S N 6.628 122.307 115.700 -0.035 0.000 2.565 541 S HA 0.623 5.093 4.470 -0.000 0.000 0.290 541 S C 0.114 174.688 174.600 -0.042 0.000 1.150 541 S CA -0.717 57.461 58.200 -0.037 0.000 1.058 541 S CB 2.049 65.235 63.200 -0.022 0.000 1.032 541 S HN 0.369 nan 8.310 nan 0.000 0.510 542 L N 2.475 123.671 121.223 -0.044 0.000 2.467 542 L HA 0.208 4.548 4.340 -0.000 0.000 0.270 542 L C 1.440 178.293 176.870 -0.028 0.000 1.205 542 L CA -0.304 54.512 54.840 -0.041 0.000 0.828 542 L CB 0.124 42.160 42.059 -0.039 0.000 1.101 542 L HN 0.683 nan 8.230 nan 0.000 0.479 543 L N 2.204 123.413 121.223 -0.025 0.000 2.109 543 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 543 L C 0.917 177.777 176.870 -0.016 0.000 1.086 543 L CA 1.273 56.102 54.840 -0.018 0.000 0.760 543 L CB 0.000 42.049 42.059 -0.017 0.000 0.910 543 L HN 0.657 nan 8.230 nan 0.000 0.437 544 M N -0.857 118.733 119.600 -0.017 0.000 1.949 544 M HA 0.449 4.929 4.480 -0.000 0.000 0.234 544 M C -2.734 173.558 176.300 -0.014 0.000 0.855 544 M CA -1.747 53.545 55.300 -0.013 0.000 0.800 544 M CB 0.450 33.043 32.600 -0.011 0.000 1.697 544 M HN -0.272 nan 8.290 nan 0.000 0.357 545 P HA 0.195 nan 4.420 nan 0.000 0.267 545 P C 0.614 177.911 177.300 -0.005 0.000 1.200 545 P CA -0.292 62.804 63.100 -0.006 0.000 0.772 545 P CB 0.711 32.410 31.700 -0.001 0.000 0.855 546 M N 0.104 119.701 119.600 -0.005 0.000 2.562 546 M HA 0.026 4.506 4.480 -0.000 0.000 0.257 546 M C 0.481 176.787 176.300 0.009 0.000 1.099 546 M CA 1.035 56.331 55.300 -0.005 0.000 1.099 546 M CB -0.932 31.655 32.600 -0.021 0.000 1.427 546 M HN 0.433 nan 8.290 nan 0.000 0.489 547 S N -0.603 115.111 115.700 0.022 0.000 2.584 547 S HA 0.153 4.623 4.470 -0.000 0.000 0.282 547 S C 0.422 175.022 174.600 -0.000 0.000 1.138 547 S CA -0.589 57.626 58.200 0.026 0.000 0.987 547 S CB 0.832 64.076 63.200 0.074 0.000 1.137 547 S HN 0.324 nan 8.310 nan 0.000 0.457 548 E N 3.380 123.568 120.200 -0.019 0.000 2.208 548 E HA -0.241 4.108 4.350 -0.000 0.000 0.202 548 E C 1.760 178.322 176.600 -0.063 0.000 1.014 548 E CA 1.845 58.226 56.400 -0.031 0.000 0.819 548 E CB -0.122 29.562 29.700 -0.027 0.000 0.735 548 E HN 0.783 nan 8.360 nan 0.000 0.469 549 A N -0.272 122.466 122.820 -0.137 0.000 2.206 549 A HA -0.061 4.259 4.320 -0.000 0.000 0.211 549 A C 0.323 177.611 177.584 -0.494 0.000 1.158 549 A CA 0.525 52.392 52.037 -0.282 0.000 0.761 549 A CB 0.112 18.898 19.000 -0.357 0.000 0.801 549 A HN 0.255 nan 8.150 nan 0.000 0.473 550 H N -1.387 117.686 119.070 0.004 0.000 2.379 550 H HA 0.557 5.113 4.556 -0.000 0.000 0.229 550 H C 0.603 175.910 175.328 -0.035 0.000 1.423 550 H CA 0.352 56.389 56.048 -0.019 0.000 1.375 550 H CB 0.465 30.164 29.762 -0.106 0.000 1.592 550 H HN 0.343 nan 8.280 nan 0.000 0.507 551 A N 0.493 123.340 122.820 0.045 0.000 2.066 551 A HA 0.229 4.549 4.320 -0.000 0.000 0.198 551 A C 0.712 178.290 177.584 -0.011 0.000 1.405 551 A CA 0.475 52.517 52.037 0.009 0.000 0.973 551 A CB 0.670 19.667 19.000 -0.006 0.000 1.026 551 A HN 0.254 nan 8.150 nan 0.000 0.474 552 T N 0.617 115.166 114.554 -0.009 0.000 2.893 552 T HA 0.557 4.907 4.350 -0.000 0.000 0.293 552 T C -0.609 174.066 174.700 -0.041 0.000 1.027 552 T CA -0.437 61.646 62.100 -0.029 0.000 0.988 552 T CB 1.595 70.454 68.868 -0.015 0.000 1.043 552 T HN 0.196 nan 8.240 nan 0.000 0.461 553 L N 3.668 124.832 121.223 -0.099 0.000 2.477 553 L HA 0.277 4.617 4.340 -0.000 0.000 0.272 553 L C 1.259 178.129 176.870 -0.000 0.000 1.157 553 L CA -0.640 54.126 54.840 -0.124 0.000 0.889 553 L CB 0.067 41.894 42.059 -0.388 0.000 1.158 553 L HN 0.634 nan 8.230 nan 0.000 0.473 554 R N 3.093 123.617 120.500 0.040 0.000 2.587 554 R HA -0.090 4.250 4.340 -0.000 0.000 0.268 554 R C 0.056 176.348 176.300 -0.013 0.000 0.978 554 R CA 0.339 56.456 56.100 0.029 0.000 1.097 554 R CB 0.223 30.535 30.300 0.020 0.000 0.917 554 R HN 0.633 nan 8.270 nan 0.000 0.414 555 Q N 0.620 120.404 119.800 -0.027 0.000 2.198 555 Q HA 0.138 4.478 4.340 -0.000 0.000 0.209 555 Q C -0.524 175.500 176.000 0.040 0.000 0.848 555 Q CA -0.096 55.627 55.803 -0.134 0.000 0.974 555 Q CB 0.994 29.782 28.738 0.085 0.000 1.115 555 Q HN 0.703 nan 8.270 nan 0.000 0.494 556 S N -0.652 115.098 115.700 0.083 0.000 2.558 556 S HA 0.291 4.761 4.470 -0.000 0.000 0.277 556 S C -0.060 174.623 174.600 0.138 0.000 1.143 556 S CA -0.616 57.724 58.200 0.233 0.000 0.865 556 S CB 0.718 64.158 63.200 0.400 0.000 1.102 556 S HN 0.254 nan 8.310 nan 0.000 0.454 557 L N 3.824 125.136 121.223 0.148 0.000 2.418 557 L HA 0.118 4.457 4.340 -0.000 0.000 0.218 557 L C 1.921 178.807 176.870 0.027 0.000 1.125 557 L CA 0.546 55.426 54.840 0.067 0.000 0.835 557 L CB -0.402 41.690 42.059 0.054 0.000 0.953 557 L HN 0.656 nan 8.230 nan 0.000 0.454 558 L N 0.071 121.305 121.223 0.018 0.000 2.072 558 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 558 L C -0.057 176.828 176.870 0.025 0.000 1.079 558 L CA 1.234 56.024 54.840 -0.084 0.000 0.752 558 L CB -1.712 40.109 42.059 -0.396 0.000 0.906 558 L HN 0.184 nan 8.230 nan 0.000 0.436 559 P HA -0.213 nan 4.420 nan 0.000 0.215 559 P C 1.255 178.581 177.300 0.043 0.000 1.163 559 P CA 1.719 64.850 63.100 0.051 0.000 0.894 559 P CB -0.103 31.552 31.700 -0.075 0.000 0.791 560 H N -1.883 117.191 119.070 0.007 0.000 2.495 560 H HA 0.058 4.614 4.556 -0.000 0.000 0.287 560 H C 1.892 177.204 175.328 -0.026 0.000 1.033 560 H CA 0.184 56.231 56.048 -0.001 0.000 1.307 560 H CB -0.287 29.495 29.762 0.033 0.000 1.401 560 H HN 0.080 nan 8.280 nan 0.000 0.555 561 L N -0.017 121.249 121.223 0.073 0.000 2.131 561 L HA -0.110 4.230 4.340 -0.000 0.000 0.206 561 L C 2.039 178.910 176.870 0.002 0.000 1.087 561 L CA 0.674 55.513 54.840 -0.003 0.000 0.767 561 L CB -0.106 41.912 42.059 -0.068 0.000 0.917 561 L HN 0.283 nan 8.230 nan 0.000 0.441 562 I N 0.031 120.610 120.570 0.014 0.000 2.226 562 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 562 I C 2.662 178.811 176.117 0.054 0.000 1.100 562 I CA 1.468 62.787 61.300 0.031 0.000 1.374 562 I CB -0.278 37.757 38.000 0.058 0.000 1.057 562 I HN 0.339 nan 8.210 nan 0.000 0.413 563 E N 1.512 121.753 120.200 0.068 0.000 2.085 563 E HA -0.268 4.081 4.350 -0.000 0.000 0.194 563 E C 2.237 178.891 176.600 0.090 0.000 0.994 563 E CA 1.444 57.893 56.400 0.082 0.000 0.801 563 E CB -0.058 29.702 29.700 0.100 0.000 0.743 563 E HN 0.496 nan 8.360 nan 0.000 0.453 564 A N 0.318 123.167 122.820 0.048 0.000 1.969 564 A HA -0.112 4.207 4.320 -0.000 0.000 0.218 564 A C 2.321 179.962 177.584 0.094 0.000 1.169 564 A CA 1.772 53.825 52.037 0.026 0.000 0.635 564 A CB -0.671 18.303 19.000 -0.043 0.000 0.810 564 A HN 0.355 nan 8.150 nan 0.000 0.445 565 T N 0.300 114.895 114.554 0.069 0.000 2.732 565 T HA 0.044 4.394 4.350 -0.000 0.000 0.261 565 T C 2.311 177.062 174.700 0.085 0.000 1.040 565 T CA 1.430 63.571 62.100 0.069 0.000 1.145 565 T CB -0.549 68.343 68.868 0.040 0.000 0.866 565 T HN 0.577 nan 8.240 nan 0.000 0.427 566 A N 0.815 123.685 122.820 0.084 0.000 1.927 566 A HA -0.199 4.120 4.320 -0.000 0.000 0.220 566 A C 2.106 179.744 177.584 0.090 0.000 1.185 566 A CA 2.014 54.098 52.037 0.078 0.000 0.639 566 A CB -1.197 17.849 19.000 0.076 0.000 0.820 566 A HN 0.626 nan 8.150 nan 0.000 0.451 567 Y N 0.910 121.216 120.300 0.010 0.000 2.145 567 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 567 Y C 2.433 178.337 175.900 0.007 0.000 1.145 567 Y CA 2.136 60.240 58.100 0.007 0.000 1.148 567 Y CB -0.223 38.237 38.460 0.001 0.000 0.981 567 Y HN 0.333 nan 8.280 nan 0.000 0.507 568 N N -0.223 118.607 118.700 0.217 0.000 2.120 568 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 568 N C 1.907 177.426 175.510 0.015 0.000 1.024 568 N CA 1.669 54.795 53.050 0.127 0.000 0.852 568 N CB -0.341 38.225 38.487 0.132 0.000 1.003 568 N HN 0.290 nan 8.380 nan 0.000 0.424 569 V N 1.795 121.721 119.914 0.021 0.000 2.358 569 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 569 V C 2.378 178.454 176.094 -0.031 0.000 1.047 569 V CA 1.692 63.996 62.300 0.006 0.000 1.035 569 V CB -0.811 31.026 31.823 0.022 0.000 0.658 569 V HN 0.280 nan 8.190 nan 0.000 0.452 570 A N -0.243 122.538 122.820 -0.064 0.000 2.076 570 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 570 A C 2.010 179.515 177.584 -0.132 0.000 1.160 570 A CA 1.225 53.203 52.037 -0.098 0.000 0.653 570 A CB -0.344 18.585 19.000 -0.118 0.000 0.801 570 A HN 0.429 nan 8.150 nan 0.000 0.455 571 R N -0.680 119.723 120.500 -0.162 0.000 2.320 571 R HA 0.074 4.414 4.340 -0.000 0.000 0.211 571 R C -0.122 176.144 176.300 -0.058 0.000 0.931 571 R CA 0.202 56.222 56.100 -0.134 0.000 1.071 571 R CB -0.122 30.084 30.300 -0.157 0.000 1.025 571 R HN 0.472 nan 8.270 nan 0.000 0.495 572 K N -0.292 120.085 120.400 -0.039 0.000 3.339 572 K HA -0.130 4.190 4.320 -0.000 0.000 0.299 572 K C -0.676 175.926 176.600 0.003 0.000 1.270 572 K CA 0.424 56.704 56.287 -0.012 0.000 0.875 572 K CB -2.107 30.386 32.500 -0.011 0.000 1.298 572 K HN 0.179 nan 8.250 nan 0.000 0.485 573 N N 1.850 120.554 118.700 0.007 0.000 2.555 573 N HA 0.108 4.848 4.740 -0.000 0.000 0.244 573 N C 1.023 176.553 175.510 0.033 0.000 1.114 573 N CA -0.024 53.041 53.050 0.026 0.000 0.963 573 N CB 0.735 39.245 38.487 0.039 0.000 1.276 573 N HN 0.207 nan 8.380 nan 0.000 0.510 574 K N -0.017 120.403 120.400 0.034 0.000 2.228 574 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 574 K C -0.411 176.222 176.600 0.056 0.000 1.051 574 K CA 0.676 56.988 56.287 0.041 0.000 0.960 574 K CB 0.352 32.876 32.500 0.039 0.000 0.743 574 K HN 0.374 nan 8.250 nan 0.000 0.458 575 D N 1.666 122.101 120.400 0.058 0.000 2.396 575 D HA 0.143 4.783 4.640 -0.000 0.000 0.225 575 D C -0.844 175.500 176.300 0.074 0.000 1.121 575 D CA -0.043 54.001 54.000 0.073 0.000 0.853 575 D CB 1.710 42.550 40.800 0.068 0.000 1.043 575 D HN -0.241 nan 8.370 nan 0.000 0.500 576 V N 3.581 123.545 119.914 0.083 0.000 2.444 576 V HA 0.425 4.545 4.120 -0.000 0.000 0.294 576 V C 0.017 176.167 176.094 0.093 0.000 1.022 576 V CA -0.807 61.538 62.300 0.076 0.000 0.850 576 V CB 1.669 33.529 31.823 0.063 0.000 0.992 576 V HN 0.318 nan 8.190 nan 0.000 0.426 577 R N 5.562 126.119 120.500 0.096 0.000 2.451 577 R HA 0.798 5.138 4.340 -0.000 0.000 0.307 577 R C -1.454 174.901 176.300 0.092 0.000 0.965 577 R CA -0.487 55.684 56.100 0.118 0.000 0.865 577 R CB 1.910 32.315 30.300 0.175 0.000 1.174 577 R HN 0.580 nan 8.270 nan 0.000 0.455 578 L N 3.355 124.615 121.223 0.062 0.000 2.388 578 L HA 0.633 4.973 4.340 -0.000 0.000 0.264 578 L C -0.928 175.963 176.870 0.034 0.000 0.998 578 L CA -1.373 53.469 54.840 0.002 0.000 0.817 578 L CB 1.679 43.701 42.059 -0.061 0.000 1.338 578 L HN 0.583 nan 8.230 nan 0.000 0.414 579 Y N -0.352 119.928 120.300 -0.033 0.000 2.576 579 Y HA 0.820 5.369 4.550 -0.000 0.000 0.346 579 Y C -1.036 174.822 175.900 -0.071 0.000 1.018 579 Y CA -0.958 57.109 58.100 -0.056 0.000 1.050 579 Y CB 1.876 40.368 38.460 0.053 0.000 1.280 579 Y HN 0.601 nan 8.280 nan 0.000 0.474 580 E N 2.631 122.836 120.200 0.009 0.000 2.308 580 E HA 0.546 4.896 4.350 -0.000 0.000 0.275 580 E C -1.927 174.719 176.600 0.077 0.000 0.890 580 E CA -0.778 55.588 56.400 -0.057 0.000 0.754 580 E CB 1.983 31.623 29.700 -0.099 0.000 1.207 580 E HN 0.788 nan 8.360 nan 0.000 0.426 581 I N 3.301 123.905 120.570 0.057 0.000 2.354 581 I HA 0.715 4.885 4.170 -0.000 0.000 0.292 581 I C 0.324 176.438 176.117 -0.005 0.000 0.989 581 I CA -0.530 60.763 61.300 -0.011 0.000 1.188 581 I CB 1.622 39.569 38.000 -0.088 0.000 1.342 581 I HN 0.653 nan 8.210 nan 0.000 0.457 582 G N 5.370 114.174 108.800 0.007 0.000 2.523 582 G HA2 0.479 4.439 3.960 -0.000 0.000 0.291 582 G HA3 0.479 4.439 3.960 -0.000 0.000 0.291 582 G C -1.584 173.277 174.900 -0.064 0.000 1.450 582 G CA -0.885 44.208 45.100 -0.011 0.000 0.790 582 G HN 0.467 nan 8.290 nan 0.000 0.496 583 R N -0.994 119.421 120.500 -0.142 0.000 2.598 583 R HA 0.742 5.082 4.340 -0.000 0.000 0.279 583 R C 0.101 176.039 176.300 -0.603 0.000 0.984 583 R CA -0.714 55.148 56.100 -0.397 0.000 0.999 583 R CB 2.085 32.087 30.300 -0.496 0.000 1.114 583 R HN 0.687 nan 8.270 nan 0.000 0.493 584 V N -0.892 118.482 119.914 -0.900 0.000 3.046 584 V HA 0.723 4.842 4.120 -0.000 0.000 0.316 584 V C -1.094 174.233 176.094 -1.279 0.000 1.104 584 V CA -0.952 60.793 62.300 -0.926 0.000 1.006 584 V CB 1.873 33.148 31.823 -0.913 0.000 1.058 584 V HN 0.563 nan 8.190 nan 0.000 0.440 585 F N 1.651 121.116 119.950 -0.809 0.000 2.539 585 F HA 0.783 5.310 4.527 -0.000 0.000 0.328 585 F C -0.832 174.541 175.800 -0.712 0.000 1.148 585 F CA -0.430 57.216 58.000 -0.590 0.000 0.940 585 F CB 1.808 40.641 39.000 -0.278 0.000 1.194 585 F HN 0.401 nan 8.300 nan 0.000 0.438 586 F N 1.096 121.111 119.950 0.109 0.000 2.495 586 F HA 0.689 5.216 4.527 -0.000 0.000 0.327 586 F C 0.704 176.552 175.800 0.080 0.000 1.103 586 F CA -1.473 56.574 58.000 0.078 0.000 0.949 586 F CB 1.581 40.605 39.000 0.039 0.000 1.142 586 F HN 0.541 nan 8.300 nan 0.000 0.457 587 G N 1.080 110.018 108.800 0.230 0.000 2.432 587 G HA2 0.135 4.094 3.960 -0.000 0.000 0.257 587 G HA3 0.135 4.094 3.960 -0.000 0.000 0.257 587 G C 0.007 174.981 174.900 0.124 0.000 1.238 587 G CA -0.545 44.639 45.100 0.141 0.000 0.838 587 G HN 0.618 nan 8.290 nan 0.000 0.547 588 N N 1.314 120.071 118.700 0.095 0.000 2.714 588 N HA 0.257 4.997 4.740 -0.000 0.000 0.298 588 N C 1.326 176.867 175.510 0.051 0.000 1.298 588 N CA 0.736 53.829 53.050 0.073 0.000 1.007 588 N CB 0.389 38.917 38.487 0.069 0.000 1.318 588 N HN 1.002 nan 8.380 nan 0.000 0.516 589 G N 0.936 109.765 108.800 0.048 0.000 2.575 589 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.267 589 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.267 589 G C -0.356 174.563 174.900 0.031 0.000 1.264 589 G CA -0.336 44.785 45.100 0.035 0.000 0.935 589 G HN 0.435 nan 8.290 nan 0.000 0.568 590 E N 0.576 120.790 120.200 0.023 0.000 2.156 590 E HA 0.496 4.846 4.350 -0.000 0.000 0.279 590 E C 0.959 177.569 176.600 0.017 0.000 0.965 590 E CA 0.521 56.932 56.400 0.018 0.000 0.789 590 E CB 0.636 30.344 29.700 0.013 0.000 1.098 590 E HN 2.156 nan 8.360 nan 0.000 0.397 591 G N 3.261 112.070 108.800 0.015 0.000 2.168 591 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 591 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 591 G C -0.067 174.844 174.900 0.019 0.000 0.997 591 G CA 0.328 45.437 45.100 0.015 0.000 0.708 591 G HN 0.481 nan 8.290 nan 0.000 0.520 592 E N -0.634 119.581 120.200 0.025 0.000 2.235 592 E HA 0.573 4.923 4.350 -0.000 0.000 0.265 592 E C 0.789 177.412 176.600 0.039 0.000 0.940 592 E CA -0.971 55.448 56.400 0.031 0.000 0.819 592 E CB 1.419 31.139 29.700 0.034 0.000 1.206 592 E HN 0.246 nan 8.360 nan 0.000 0.409 593 L N 3.141 124.390 121.223 0.043 0.000 2.456 593 L HA 0.169 4.508 4.340 -0.000 0.000 0.272 593 L C -1.729 175.187 176.870 0.077 0.000 1.189 593 L CA -1.379 53.495 54.840 0.056 0.000 0.846 593 L CB 0.021 42.114 42.059 0.056 0.000 1.111 593 L HN 0.201 nan 8.230 nan 0.000 0.475 594 P HA 0.085 nan 4.420 nan 0.000 0.277 594 P C -1.198 176.188 177.300 0.143 0.000 1.276 594 P CA -0.555 62.627 63.100 0.137 0.000 0.788 594 P CB 0.615 32.425 31.700 0.184 0.000 1.114 595 D N 0.766 121.271 120.400 0.174 0.000 2.325 595 D HA 0.140 4.780 4.640 -0.000 0.000 0.251 595 D C 0.013 176.377 176.300 0.106 0.000 1.196 595 D CA 0.249 54.347 54.000 0.163 0.000 0.866 595 D CB 0.313 41.241 40.800 0.212 0.000 1.101 595 D HN 0.254 nan 8.370 nan 0.000 0.476 596 E N 1.049 121.250 120.200 0.002 0.000 2.146 596 E HA 0.340 4.690 4.350 -0.000 0.000 0.282 596 E C -0.477 176.009 176.600 -0.190 0.000 0.989 596 E CA -0.726 55.527 56.400 -0.245 0.000 0.799 596 E CB 2.462 32.051 29.700 -0.185 0.000 1.088 596 E HN 0.090 nan 8.360 nan 0.000 0.397 597 V N 2.880 122.616 119.914 -0.296 0.000 2.487 597 V HA 0.221 4.341 4.120 -0.000 0.000 0.298 597 V C -0.563 175.404 176.094 -0.212 0.000 1.028 597 V CA -0.700 61.523 62.300 -0.129 0.000 0.860 597 V CB 1.740 33.627 31.823 0.107 0.000 0.991 597 V HN 0.731 nan 8.190 nan 0.000 0.427 598 E N 5.078 125.274 120.200 -0.007 0.000 2.290 598 E HA 0.305 4.655 4.350 -0.000 0.000 0.277 598 E C -1.616 175.196 176.600 0.354 0.000 1.035 598 E CA -0.277 56.180 56.400 0.096 0.000 0.873 598 E CB 0.586 30.387 29.700 0.170 0.000 1.029 598 E HN 0.687 nan 8.360 nan 0.000 0.419 599 Y N 3.030 123.355 120.300 0.042 0.000 2.446 599 Y HA 0.361 4.911 4.550 -0.000 0.000 0.338 599 Y C -0.316 175.576 175.900 -0.014 0.000 1.055 599 Y CA -1.384 56.740 58.100 0.040 0.000 1.101 599 Y CB 1.431 39.887 38.460 -0.007 0.000 1.221 599 Y HN 0.450 nan 8.280 nan 0.000 0.460 600 L N 2.490 123.777 121.223 0.108 0.000 2.282 600 L HA 0.718 5.058 4.340 -0.000 0.000 0.288 600 L C -0.569 176.334 176.870 0.056 0.000 1.033 600 L CA 0.183 55.039 54.840 0.027 0.000 0.807 600 L CB 0.847 42.896 42.059 -0.016 0.000 1.209 600 L HN 0.548 nan 8.230 nan 0.000 0.423 601 S N 2.397 118.084 115.700 -0.022 0.000 2.651 601 S HA 1.013 5.483 4.470 -0.000 0.000 0.279 601 S C -0.448 173.791 174.600 -0.601 0.000 1.148 601 S CA -0.283 57.708 58.200 -0.348 0.000 0.837 601 S CB 1.833 64.881 63.200 -0.254 0.000 1.138 601 S HN 1.066 nan 8.310 nan 0.000 0.478 602 G N -0.146 107.905 108.800 -1.248 0.000 2.559 602 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 602 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 602 G C -2.134 172.355 174.900 -0.684 0.000 1.424 602 G CA -0.509 44.101 45.100 -0.816 0.000 0.786 602 G HN 0.806 nan 8.290 nan 0.000 0.485 603 I N -0.804 119.605 120.570 -0.268 0.000 2.827 603 I HA 0.769 4.939 4.170 -0.000 0.000 0.298 603 I C -1.773 174.356 176.117 0.020 0.000 1.235 603 I CA -1.262 59.969 61.300 -0.116 0.000 1.021 603 I CB 2.149 40.090 38.000 -0.098 0.000 1.259 603 I HN 0.503 nan 8.210 nan 0.000 0.427 604 L N 5.754 127.031 121.223 0.090 0.000 2.493 604 L HA 0.663 5.002 4.340 -0.000 0.000 0.265 604 L C -0.810 176.172 176.870 0.187 0.000 0.954 604 L CA -0.417 54.512 54.840 0.149 0.000 0.844 604 L CB 2.208 44.370 42.059 0.170 0.000 1.302 604 L HN 0.606 nan 8.230 nan 0.000 0.405 605 T N 0.888 115.538 114.554 0.160 0.000 2.942 605 T HA 0.774 5.124 4.350 -0.000 0.000 0.327 605 T C -0.276 174.511 174.700 0.145 0.000 1.360 605 T CA 0.590 62.785 62.100 0.159 0.000 1.055 605 T CB 1.811 70.735 68.868 0.093 0.000 1.261 605 T HN 1.254 nan 8.240 nan 0.000 0.485 606 G N 2.988 111.875 108.800 0.145 0.000 2.445 606 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.212 606 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.212 606 G C -1.084 173.897 174.900 0.135 0.000 1.217 606 G CA -0.221 44.951 45.100 0.120 0.000 1.002 606 G HN 0.866 nan 8.290 nan 0.000 0.574 607 E N -0.810 119.460 120.200 0.118 0.000 2.266 607 E HA 0.619 4.969 4.350 -0.000 0.000 0.277 607 E C 0.462 177.165 176.600 0.171 0.000 1.018 607 E CA -0.437 56.036 56.400 0.122 0.000 0.840 607 E CB 1.503 31.246 29.700 0.072 0.000 1.082 607 E HN 0.510 nan 8.360 nan 0.000 0.395 608 Y N 2.521 122.842 120.300 0.035 0.000 2.301 608 Y HA 0.204 4.753 4.550 -0.000 0.000 0.295 608 Y C 0.074 175.986 175.900 0.019 0.000 1.126 608 Y CA 0.315 58.432 58.100 0.027 0.000 1.154 608 Y CB 0.872 39.343 38.460 0.018 0.000 1.075 608 Y HN 0.262 nan 8.280 nan 0.000 0.534 609 V N 1.791 121.687 119.914 -0.030 0.000 2.540 609 V HA 0.413 4.533 4.120 -0.000 0.000 0.302 609 V C -1.073 174.997 176.094 -0.039 0.000 1.035 609 V CA -0.908 61.329 62.300 -0.105 0.000 0.873 609 V CB 1.641 33.424 31.823 -0.068 0.000 0.992 609 V HN -0.098 nan 8.190 nan 0.000 0.428 610 V N 3.384 123.269 119.914 -0.049 0.000 2.588 610 V HA 0.636 4.756 4.120 -0.000 0.000 0.304 610 V C -0.578 175.492 176.094 -0.040 0.000 1.042 610 V CA -0.629 61.653 62.300 -0.029 0.000 0.877 610 V CB 2.039 33.859 31.823 -0.005 0.000 0.996 610 V HN 0.835 nan 8.190 nan 0.000 0.425 611 N N 1.934 120.595 118.700 -0.064 0.000 2.685 611 N HA 0.520 5.260 4.740 -0.000 0.000 0.252 611 N C 0.598 176.033 175.510 -0.125 0.000 1.261 611 N CA 0.262 53.262 53.050 -0.084 0.000 0.768 611 N CB 1.775 40.153 38.487 -0.182 0.000 1.304 611 N HN 0.756 nan 8.380 nan 0.000 0.536 612 A N 2.263 125.079 122.820 -0.006 0.000 1.903 612 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 612 A C 1.848 179.451 177.584 0.031 0.000 1.191 612 A CA 1.638 53.688 52.037 0.022 0.000 0.638 612 A CB -0.820 18.224 19.000 0.073 0.000 0.823 612 A HN 0.850 nan 8.150 nan 0.000 0.451 613 W N -0.459 120.843 121.300 0.004 0.000 2.611 613 W HA -0.052 4.608 4.660 -0.001 0.000 0.251 613 W C 0.860 177.381 176.519 0.004 0.000 1.265 613 W CA 1.098 58.445 57.345 0.004 0.000 1.295 613 W CB -0.430 29.031 29.460 0.002 0.000 1.129 613 W HN 0.470 nan 8.180 nan 0.000 0.630 614 Q N -0.011 119.362 119.800 -0.711 0.000 2.217 614 Q HA 0.220 4.560 4.340 -0.000 0.000 0.217 614 Q C 1.473 177.274 176.000 -0.332 0.000 0.844 614 Q CA 0.425 55.780 55.803 -0.747 0.000 0.957 614 Q CB 0.576 28.706 28.738 -1.013 0.000 1.127 614 Q HN 0.380 nan 8.270 nan 0.000 0.503 615 G N 2.037 110.718 108.800 -0.198 0.000 2.143 615 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.248 615 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.248 615 G C -0.189 174.651 174.900 -0.100 0.000 0.991 615 G CA 0.099 45.135 45.100 -0.106 0.000 0.689 615 G HN 0.166 nan 8.290 nan 0.000 0.522 616 K N 0.245 120.567 120.400 -0.130 0.000 2.227 616 K HA 0.573 4.892 4.320 -0.000 0.000 0.280 616 K C 0.007 176.575 176.600 -0.053 0.000 1.041 616 K CA -0.441 55.789 56.287 -0.094 0.000 0.905 616 K CB 1.553 33.980 32.500 -0.121 0.000 1.068 616 K HN 0.163 nan 8.250 nan 0.000 0.470 617 K N 3.069 123.456 120.400 -0.023 0.000 2.762 617 K HA 0.040 4.359 4.320 -0.000 0.000 0.272 617 K C -1.647 174.967 176.600 0.025 0.000 1.093 617 K CA -0.163 56.126 56.287 0.004 0.000 1.048 617 K CB 1.190 33.697 32.500 0.011 0.000 1.304 617 K HN 0.656 nan 8.250 nan 0.000 0.511 618 E N 4.184 124.409 120.200 0.042 0.000 2.063 618 E HA 0.091 4.441 4.350 -0.000 0.000 0.265 618 E C -0.601 176.064 176.600 0.109 0.000 0.919 618 E CA -0.574 55.871 56.400 0.075 0.000 0.756 618 E CB 0.739 30.496 29.700 0.095 0.000 1.120 618 E HN 0.358 nan 8.360 nan 0.000 0.414 619 E N 3.423 123.678 120.200 0.092 0.000 2.465 619 E HA 0.001 4.351 4.350 -0.000 0.000 0.260 619 E C 0.335 176.998 176.600 0.105 0.000 0.980 619 E CA 0.265 56.729 56.400 0.107 0.000 0.927 619 E CB 0.632 30.392 29.700 0.101 0.000 0.934 619 E HN 0.599 nan 8.360 nan 0.000 0.459 620 I N 4.161 124.805 120.570 0.123 0.000 2.668 620 I HA -0.140 4.030 4.170 -0.000 0.000 0.285 620 I C 0.975 177.077 176.117 -0.025 0.000 1.168 620 I CA 0.577 61.904 61.300 0.046 0.000 1.424 620 I CB 0.101 38.167 38.000 0.109 0.000 1.377 620 I HN 0.470 nan 8.210 nan 0.000 0.560 621 D N 5.579 125.814 120.400 -0.276 0.000 2.687 621 D HA 0.080 4.719 4.640 -0.000 0.000 0.264 621 D C 0.578 176.260 176.300 -1.030 0.000 1.091 621 D CA -0.661 53.052 54.000 -0.478 0.000 1.123 621 D CB 0.479 41.252 40.800 -0.045 0.000 1.407 621 D HN 0.340 nan 8.370 nan 0.000 0.591 622 F N -0.034 119.325 119.950 -0.984 0.000 2.161 622 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 622 F C 1.647 177.025 175.800 -0.703 0.000 1.089 622 F CA 1.287 58.756 58.000 -0.884 0.000 1.282 622 F CB -0.228 38.336 39.000 -0.727 0.000 1.010 622 F HN 0.212 nan 8.300 nan 0.000 0.485 623 F N -0.277 119.639 119.950 -0.056 0.000 2.604 623 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 623 F C 2.123 177.783 175.800 -0.234 0.000 1.131 623 F CA 0.663 58.615 58.000 -0.079 0.000 1.457 623 F CB -0.446 38.560 39.000 0.011 0.000 1.095 623 F HN -0.005 nan 8.300 nan 0.000 0.574 624 I N -0.810 119.636 120.570 -0.208 0.000 2.585 624 I HA -0.098 4.072 4.170 -0.000 0.000 0.254 624 I C 2.563 178.464 176.117 -0.361 0.000 1.129 624 I CA 0.681 61.814 61.300 -0.279 0.000 1.455 624 I CB -0.368 37.429 38.000 -0.337 0.000 1.111 624 I HN 0.059 nan 8.210 nan 0.000 0.433 625 A N 0.758 123.321 122.820 -0.429 0.000 1.940 625 A HA -0.283 4.036 4.320 -0.000 0.000 0.219 625 A C 2.305 179.641 177.584 -0.414 0.000 1.176 625 A CA 1.859 53.679 52.037 -0.363 0.000 0.631 625 A CB -0.510 18.291 19.000 -0.333 0.000 0.814 625 A HN 0.297 nan 8.150 nan 0.000 0.446 626 K N -0.879 119.197 120.400 -0.540 0.000 2.147 626 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 626 K C 1.940 178.385 176.600 -0.259 0.000 1.049 626 K CA 1.155 57.181 56.287 -0.435 0.000 0.936 626 K CB -0.392 31.850 32.500 -0.430 0.000 0.722 626 K HN 0.449 nan 8.250 nan 0.000 0.446 627 G N -0.124 108.538 108.800 -0.230 0.000 2.448 627 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 627 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 627 G C 1.372 176.160 174.900 -0.187 0.000 1.135 627 G CA 0.395 45.395 45.100 -0.168 0.000 0.784 627 G HN 0.153 nan 8.290 nan 0.000 0.543 628 V N 0.478 120.240 119.914 -0.253 0.000 2.379 628 V HA -0.105 4.015 4.120 -0.000 0.000 0.245 628 V C 2.935 178.821 176.094 -0.347 0.000 1.044 628 V CA 1.163 63.299 62.300 -0.273 0.000 1.036 628 V CB -0.012 31.637 31.823 -0.290 0.000 0.664 628 V HN 0.231 nan 8.190 nan 0.000 0.453 629 V N 0.025 119.701 119.914 -0.398 0.000 2.453 629 V HA -0.194 3.925 4.120 -0.000 0.000 0.247 629 V C 2.204 178.268 176.094 -0.049 0.000 1.048 629 V CA 1.875 64.002 62.300 -0.289 0.000 1.049 629 V CB -0.596 31.113 31.823 -0.190 0.000 0.672 629 V HN 0.530 nan 8.190 nan 0.000 0.457 630 D N -0.169 120.199 120.400 -0.053 0.000 2.178 630 D HA -0.145 4.495 4.640 -0.000 0.000 0.202 630 D C 2.290 178.503 176.300 -0.146 0.000 0.974 630 D CA 1.051 55.005 54.000 -0.078 0.000 0.841 630 D CB -0.139 40.632 40.800 -0.047 0.000 0.953 630 D HN 0.399 nan 8.370 nan 0.000 0.478 631 R N 0.538 120.955 120.500 -0.139 0.000 2.093 631 R HA -0.050 4.290 4.340 -0.000 0.000 0.224 631 R C 2.002 178.221 176.300 -0.134 0.000 1.101 631 R CA 0.642 56.670 56.100 -0.120 0.000 0.979 631 R CB -0.185 30.054 30.300 -0.101 0.000 0.877 631 R HN -0.073 nan 8.270 nan 0.000 0.441 632 V N 1.465 121.288 119.914 -0.151 0.000 2.282 632 V HA -0.299 3.820 4.120 -0.000 0.000 0.249 632 V C 2.525 178.511 176.094 -0.180 0.000 1.057 632 V CA 2.179 64.407 62.300 -0.120 0.000 1.032 632 V CB -0.834 30.947 31.823 -0.070 0.000 0.645 632 V HN 0.603 nan 8.190 nan 0.000 0.447 633 A N -1.148 121.438 122.820 -0.390 0.000 1.898 633 A HA -0.232 4.087 4.320 -0.000 0.000 0.216 633 A C 2.280 179.650 177.584 -0.357 0.000 1.181 633 A CA 1.795 53.408 52.037 -0.706 0.000 0.620 633 A CB -0.509 17.704 19.000 -1.313 0.000 0.819 633 A HN 0.592 nan 8.150 nan 0.000 0.442 634 E N -0.313 119.736 120.200 -0.252 0.000 2.058 634 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 634 E C 2.061 178.599 176.600 -0.103 0.000 0.997 634 E CA 1.704 58.013 56.400 -0.152 0.000 0.801 634 E CB -0.088 29.546 29.700 -0.110 0.000 0.746 634 E HN 0.532 nan 8.360 nan 0.000 0.450 635 K N 0.533 120.879 120.400 -0.090 0.000 2.147 635 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 635 K C 1.739 178.320 176.600 -0.032 0.000 1.049 635 K CA 1.006 57.264 56.287 -0.049 0.000 0.936 635 K CB -0.054 32.419 32.500 -0.044 0.000 0.722 635 K HN 0.136 nan 8.250 nan 0.000 0.446 636 L N 0.245 121.437 121.223 -0.052 0.000 2.592 636 L HA 0.116 4.456 4.340 -0.000 0.000 0.227 636 L C 0.230 177.077 176.870 -0.039 0.000 1.127 636 L CA -0.153 54.673 54.840 -0.023 0.000 0.884 636 L CB -0.244 41.812 42.059 -0.005 0.000 1.065 636 L HN 0.344 nan 8.230 nan 0.000 0.457 637 N N 0.945 119.608 118.700 -0.062 0.000 2.754 637 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 637 N C -0.603 174.860 175.510 -0.079 0.000 1.093 637 N CA 0.703 53.717 53.050 -0.060 0.000 0.699 637 N CB -1.202 37.272 38.487 -0.022 0.000 1.016 637 N HN 0.255 nan 8.380 nan 0.000 0.552 638 L N -0.387 120.751 121.223 -0.141 0.000 2.331 638 L HA 0.566 4.905 4.340 -0.000 0.000 0.268 638 L C 0.563 177.299 176.870 -0.224 0.000 1.015 638 L CA -0.795 53.955 54.840 -0.149 0.000 0.807 638 L CB 1.344 43.325 42.059 -0.131 0.000 1.293 638 L HN 0.047 nan 8.230 nan 0.000 0.451 639 E N 0.182 120.307 120.200 -0.125 0.000 2.234 639 E HA 0.507 4.857 4.350 -0.000 0.000 0.266 639 E C -1.564 175.081 176.600 0.074 0.000 0.877 639 E CA -0.327 56.007 56.400 -0.110 0.000 0.758 639 E CB 1.877 31.553 29.700 -0.040 0.000 1.170 639 E HN 0.252 nan 8.360 nan 0.000 0.415 640 F N 1.087 120.978 119.950 -0.099 0.000 2.483 640 F HA 0.532 5.059 4.527 -0.000 0.000 0.329 640 F C 0.589 176.222 175.800 -0.279 0.000 1.064 640 F CA -0.948 56.908 58.000 -0.240 0.000 0.986 640 F CB 1.899 40.681 39.000 -0.363 0.000 1.218 640 F HN 0.413 nan 8.300 nan 0.000 0.484 641 S N 0.074 115.655 115.700 -0.199 0.000 2.671 641 S HA 0.715 5.185 4.470 -0.000 0.000 0.299 641 S C -1.727 172.602 174.600 -0.451 0.000 1.116 641 S CA -0.912 57.184 58.200 -0.174 0.000 0.912 641 S CB 2.090 65.272 63.200 -0.031 0.000 1.130 641 S HN 0.484 nan 8.310 nan 0.000 0.501 642 Y N -0.138 120.215 120.300 0.088 0.000 2.433 642 Y HA 0.703 5.253 4.550 -0.000 0.000 0.337 642 Y C -0.252 175.699 175.900 0.084 0.000 1.026 642 Y CA -0.721 57.440 58.100 0.103 0.000 1.037 642 Y CB 2.185 40.734 38.460 0.148 0.000 1.245 642 Y HN 0.822 nan 8.280 nan 0.000 0.443 643 K N 1.856 122.381 120.400 0.208 0.000 2.525 643 K HA 0.840 5.160 4.320 -0.000 0.000 0.254 643 K C -1.058 175.617 176.600 0.125 0.000 0.934 643 K CA -0.750 55.616 56.287 0.132 0.000 0.802 643 K CB 1.640 34.187 32.500 0.078 0.000 1.295 643 K HN 0.815 nan 8.250 nan 0.000 0.433 644 A N 2.020 124.892 122.820 0.087 0.000 2.565 644 A HA 0.430 4.749 4.320 -0.000 0.000 0.237 644 A C 0.292 177.916 177.584 0.067 0.000 1.053 644 A CA 1.024 53.099 52.037 0.063 0.000 0.755 644 A CB -0.117 18.898 19.000 0.026 0.000 0.980 644 A HN 0.820 nan 8.150 nan 0.000 0.506 645 G N 0.804 109.647 108.800 0.072 0.000 2.672 645 G HA2 0.577 4.537 3.960 -0.000 0.000 0.292 645 G HA3 0.577 4.537 3.960 -0.000 0.000 0.292 645 G C -1.402 173.526 174.900 0.048 0.000 1.375 645 G CA -0.669 44.469 45.100 0.063 0.000 0.890 645 G HN 0.502 nan 8.290 nan 0.000 0.476 646 K N 0.917 121.337 120.400 0.032 0.000 2.425 646 K HA 0.559 4.878 4.320 -0.000 0.000 0.259 646 K C -0.696 175.902 176.600 -0.003 0.000 0.978 646 K CA -0.756 55.546 56.287 0.025 0.000 0.883 646 K CB 1.134 33.649 32.500 0.024 0.000 1.110 646 K HN 0.308 nan 8.250 nan 0.000 0.436 647 I N 2.687 123.240 120.570 -0.028 0.000 2.418 647 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 647 I C 0.347 176.440 176.117 -0.039 0.000 1.008 647 I CA -0.706 60.543 61.300 -0.085 0.000 1.104 647 I CB 1.709 39.533 38.000 -0.293 0.000 1.264 647 I HN 0.464 nan 8.210 nan 0.000 0.438 648 E N 4.198 124.362 120.200 -0.061 0.000 2.585 648 E HA 0.165 4.515 4.350 -0.000 0.000 0.252 648 E C 1.023 177.549 176.600 -0.123 0.000 0.981 648 E CA 1.005 57.349 56.400 -0.092 0.000 0.943 648 E CB 0.528 30.147 29.700 -0.135 0.000 0.923 648 E HN 0.997 nan 8.360 nan 0.000 0.486 649 G N 2.939 111.713 108.800 -0.044 0.000 2.218 649 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.216 649 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.216 649 G C 0.113 175.188 174.900 0.292 0.000 0.994 649 G CA -0.299 44.824 45.100 0.039 0.000 0.637 649 G HN 0.396 nan 8.290 nan 0.000 0.505 650 L N 0.614 121.981 121.223 0.240 0.000 2.334 650 L HA 0.560 4.900 4.340 -0.000 0.000 0.270 650 L C 0.757 177.765 176.870 0.230 0.000 1.018 650 L CA -1.484 53.487 54.840 0.220 0.000 0.811 650 L CB 1.219 43.346 42.059 0.114 0.000 1.271 650 L HN 0.137 nan 8.230 nan 0.000 0.443 651 H N 3.154 122.254 119.070 0.049 0.000 3.145 651 H HA 0.025 4.581 4.556 -0.000 0.000 0.288 651 H C -1.925 173.399 175.328 -0.008 0.000 0.969 651 H CA -1.606 54.406 56.048 -0.060 0.000 1.444 651 H CB 1.150 30.872 29.762 -0.066 0.000 1.500 651 H HN 0.255 nan 8.280 nan 0.000 0.552 652 P HA -0.071 nan 4.420 nan 0.000 0.221 652 P C 1.130 178.524 177.300 0.157 0.000 1.145 652 P CA 1.561 64.764 63.100 0.171 0.000 0.795 652 P CB 0.291 32.061 31.700 0.117 0.000 0.775 653 G N -1.307 107.640 108.800 0.244 0.000 2.921 653 G HA2 0.002 3.962 3.960 -0.000 0.000 0.213 653 G HA3 0.002 3.962 3.960 -0.000 0.000 0.213 653 G C 0.951 175.719 174.900 -0.219 0.000 1.143 653 G CA -0.112 44.983 45.100 -0.007 0.000 0.764 653 G HN 0.206 nan 8.290 nan 0.000 0.542 654 R N 0.708 121.060 120.500 -0.246 0.000 2.734 654 R HA 0.260 4.599 4.340 -0.000 0.000 0.395 654 R C -0.960 175.343 176.300 0.005 0.000 1.096 654 R CA -0.120 55.792 56.100 -0.314 0.000 1.071 654 R CB 0.834 30.924 30.300 -0.349 0.000 1.348 654 R HN 0.021 nan 8.270 nan 0.000 0.600 655 T N 0.829 115.409 114.554 0.044 0.000 2.841 655 T HA 0.613 4.963 4.350 -0.000 0.000 0.285 655 T C -0.653 174.163 174.700 0.195 0.000 0.991 655 T CA -0.526 61.692 62.100 0.197 0.000 0.966 655 T CB 1.941 70.881 68.868 0.121 0.000 0.962 655 T HN 0.292 nan 8.240 nan 0.000 0.438 656 A N 3.570 126.607 122.820 0.363 0.000 2.350 656 A HA 0.794 5.114 4.320 -0.000 0.000 0.324 656 A C -0.458 177.318 177.584 0.321 0.000 1.118 656 A CA -0.777 51.463 52.037 0.339 0.000 0.783 656 A CB 0.610 19.920 19.000 0.516 0.000 1.236 656 A HN 0.696 nan 8.150 nan 0.000 0.457 657 I N 2.551 123.256 120.570 0.225 0.000 2.371 657 I HA 0.239 4.408 4.170 -0.000 0.000 0.290 657 I C 0.063 176.214 176.117 0.057 0.000 1.028 657 I CA -0.271 61.124 61.300 0.159 0.000 1.345 657 I CB 0.785 38.843 38.000 0.098 0.000 1.407 657 I HN 0.276 nan 8.210 nan 0.000 0.501 658 V N 6.221 126.102 119.914 -0.056 0.000 2.439 658 V HA 0.484 4.604 4.120 -0.000 0.000 0.282 658 V C 0.393 176.287 176.094 -0.333 0.000 1.039 658 V CA -0.302 61.803 62.300 -0.325 0.000 0.913 658 V CB 1.579 33.141 31.823 -0.435 0.000 0.983 658 V HN 0.847 nan 8.190 nan 0.000 0.460 659 S N 4.143 119.634 115.700 -0.348 0.000 2.548 659 S HA 0.823 5.292 4.470 -0.000 0.000 0.286 659 S C -1.148 173.335 174.600 -0.196 0.000 1.098 659 S CA -0.510 57.558 58.200 -0.221 0.000 0.930 659 S CB 1.939 65.066 63.200 -0.122 0.000 1.070 659 S HN 0.606 nan 8.310 nan 0.000 0.480 660 L N 1.659 122.806 121.223 -0.126 0.000 2.438 660 L HA 0.728 5.068 4.340 -0.000 0.000 0.270 660 L C 0.481 177.341 176.870 -0.017 0.000 0.972 660 L CA 0.567 55.397 54.840 -0.017 0.000 0.831 660 L CB 0.932 42.984 42.059 -0.011 0.000 1.273 660 L HN 0.909 nan 8.230 nan 0.000 0.405 661 G N 3.383 112.185 108.800 0.002 0.000 2.356 661 G HA2 0.019 3.979 3.960 -0.000 0.000 0.296 661 G HA3 0.019 3.979 3.960 -0.000 0.000 0.296 661 G C 1.078 175.967 174.900 -0.018 0.000 1.022 661 G CA 0.832 45.927 45.100 -0.008 0.000 0.961 661 G HN 2.221 nan 8.290 nan 0.000 0.510 662 G N -2.099 106.688 108.800 -0.022 0.000 2.196 662 G HA2 0.120 4.079 3.960 -0.000 0.000 0.268 662 G HA3 0.120 4.079 3.960 -0.000 0.000 0.268 662 G C 0.743 175.624 174.900 -0.033 0.000 0.975 662 G CA 1.471 46.556 45.100 -0.025 0.000 0.648 662 G HN 2.373 nan 8.290 nan 0.000 0.538 663 A N -0.007 122.787 122.820 -0.043 0.000 2.312 663 A HA 0.823 5.143 4.320 -0.000 0.000 0.326 663 A C 0.814 178.353 177.584 -0.076 0.000 1.172 663 A CA 0.477 52.485 52.037 -0.049 0.000 0.821 663 A CB 1.136 20.110 19.000 -0.044 0.000 1.166 663 A HN 1.689 nan 8.150 nan 0.000 0.493 664 G N 0.336 109.098 108.800 -0.062 0.000 2.378 664 G HA2 0.449 4.408 3.960 -0.000 0.000 0.255 664 G HA3 0.449 4.408 3.960 -0.000 0.000 0.255 664 G C 0.432 175.270 174.900 -0.104 0.000 1.270 664 G CA 0.222 45.278 45.100 -0.073 0.000 0.876 664 G HN 1.210 nan 8.290 nan 0.000 0.521 665 I N 0.175 120.638 120.570 -0.177 0.000 4.240 665 I HA 0.609 4.779 4.170 -0.000 0.000 0.331 665 I C 0.718 176.671 176.117 -0.274 0.000 1.381 665 I CA -0.064 61.107 61.300 -0.214 0.000 1.136 665 I CB 0.479 38.311 38.000 -0.281 0.000 1.137 665 I HN 0.736 nan 8.210 nan 0.000 0.411 666 G N 1.743 110.405 108.800 -0.230 0.000 2.367 666 G HA2 0.405 4.365 3.960 -0.000 0.000 0.272 666 G HA3 0.405 4.365 3.960 -0.000 0.000 0.272 666 G C -1.628 173.201 174.900 -0.119 0.000 1.271 666 G CA -0.146 44.757 45.100 -0.329 0.000 0.893 666 G HN 0.412 nan 8.290 nan 0.000 0.485 667 F N -1.635 118.289 119.950 -0.044 0.000 2.807 667 F HA 0.852 5.378 4.527 -0.000 0.000 0.316 667 F C -1.413 174.438 175.800 0.085 0.000 1.162 667 F CA -1.820 56.202 58.000 0.038 0.000 0.910 667 F CB 0.907 39.947 39.000 0.067 0.000 1.314 667 F HN 0.640 nan 8.300 nan 0.000 0.454 668 I N 0.641 121.510 120.570 0.498 0.000 2.656 668 I HA 0.836 5.006 4.170 -0.000 0.000 0.292 668 I C -0.411 175.953 176.117 0.412 0.000 1.144 668 I CA -0.995 60.502 61.300 0.329 0.000 1.038 668 I CB 1.982 39.991 38.000 0.016 0.000 1.244 668 I HN 1.132 nan 8.210 nan 0.000 0.420 669 G N 3.037 112.056 108.800 0.364 0.000 2.579 669 G HA2 0.326 4.285 3.960 -0.000 0.000 0.292 669 G HA3 0.326 4.285 3.960 -0.000 0.000 0.292 669 G C -1.952 173.145 174.900 0.329 0.000 1.484 669 G CA -0.599 44.743 45.100 0.403 0.000 0.813 669 G HN 0.655 nan 8.290 nan 0.000 0.515 670 E N 0.228 120.626 120.200 0.330 0.000 2.383 670 E HA 0.305 4.654 4.350 -0.000 0.000 0.264 670 E C 0.433 177.053 176.600 0.034 0.000 1.050 670 E CA -0.448 55.932 56.400 -0.034 0.000 0.896 670 E CB 0.641 30.341 29.700 -0.001 0.000 0.982 670 E HN 0.354 nan 8.360 nan 0.000 0.424 671 L N 3.384 124.569 121.223 -0.064 0.000 2.483 671 L HA -0.004 4.336 4.340 -0.000 0.000 0.275 671 L C 1.135 178.064 176.870 0.098 0.000 1.220 671 L CA -0.011 54.863 54.840 0.057 0.000 0.833 671 L CB 0.213 42.286 42.059 0.022 0.000 1.102 671 L HN 0.611 nan 8.230 nan 0.000 0.490 672 H N 3.944 123.049 119.070 0.058 0.000 3.001 672 H HA -0.018 4.538 4.556 -0.000 0.000 0.334 672 H C -1.712 173.589 175.328 -0.044 0.000 1.034 672 H CA -0.949 55.089 56.048 -0.017 0.000 1.420 672 H CB 1.412 31.164 29.762 -0.017 0.000 1.405 672 H HN 0.327 nan 8.280 nan 0.000 0.593 673 P HA -0.185 nan 4.420 nan 0.000 0.216 673 P C 1.401 178.748 177.300 0.079 0.000 1.150 673 P CA 1.458 64.506 63.100 -0.087 0.000 0.843 673 P CB 0.276 31.846 31.700 -0.216 0.000 0.787 674 Q N -0.524 119.455 119.800 0.298 0.000 2.172 674 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 674 Q C 1.845 177.912 176.000 0.112 0.000 0.964 674 Q CA 1.311 57.226 55.803 0.187 0.000 0.855 674 Q CB -1.016 27.804 28.738 0.135 0.000 0.918 674 Q HN 0.019 nan 8.270 nan 0.000 0.444 675 V N 0.241 120.240 119.914 0.142 0.000 2.379 675 V HA -0.158 3.961 4.120 -0.000 0.000 0.245 675 V C 2.199 178.343 176.094 0.084 0.000 1.044 675 V CA 1.517 63.878 62.300 0.101 0.000 1.036 675 V CB -1.043 30.865 31.823 0.141 0.000 0.664 675 V HN 0.488 nan 8.190 nan 0.000 0.453 676 A N 0.212 123.077 122.820 0.075 0.000 1.883 676 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 676 A C 2.429 180.036 177.584 0.039 0.000 1.186 676 A CA 2.291 54.354 52.037 0.044 0.000 0.624 676 A CB -0.860 18.151 19.000 0.018 0.000 0.822 676 A HN 0.571 nan 8.150 nan 0.000 0.444 677 A N -0.039 122.806 122.820 0.041 0.000 1.902 677 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 677 A C 1.748 179.352 177.584 0.033 0.000 1.181 677 A CA 1.997 54.055 52.037 0.034 0.000 0.623 677 A CB -0.732 18.288 19.000 0.033 0.000 0.818 677 A HN 0.451 nan 8.150 nan 0.000 0.443 678 D N 0.097 120.521 120.400 0.039 0.000 2.190 678 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 678 D C 1.209 177.534 176.300 0.042 0.000 0.992 678 D CA 1.130 55.154 54.000 0.039 0.000 0.854 678 D CB -0.235 40.593 40.800 0.046 0.000 0.936 678 D HN 0.467 nan 8.370 nan 0.000 0.462 679 N N 0.467 119.194 118.700 0.045 0.000 2.230 679 N HA -0.048 4.692 4.740 -0.000 0.000 0.202 679 N C -0.510 175.021 175.510 0.034 0.000 1.119 679 N CA 0.072 53.149 53.050 0.045 0.000 0.851 679 N CB 0.737 39.256 38.487 0.053 0.000 0.990 679 N HN -0.007 nan 8.380 nan 0.000 0.497 680 D N 1.018 121.435 120.400 0.029 0.000 2.697 680 D HA -0.181 4.459 4.640 -0.000 0.000 0.235 680 D C -0.863 175.450 176.300 0.022 0.000 1.167 680 D CA 0.638 54.651 54.000 0.022 0.000 0.656 680 D CB -1.162 39.647 40.800 0.015 0.000 1.025 680 D HN 0.311 nan 8.370 nan 0.000 0.419 681 L N -0.061 121.177 121.223 0.025 0.000 2.313 681 L HA 0.528 4.868 4.340 -0.000 0.000 0.268 681 L C 1.325 178.207 176.870 0.020 0.000 1.010 681 L CA -1.200 53.654 54.840 0.023 0.000 0.814 681 L CB 1.329 43.400 42.059 0.021 0.000 1.304 681 L HN -0.175 nan 8.230 nan 0.000 0.441 682 K N 0.562 120.976 120.400 0.023 0.000 2.918 682 K HA 0.381 4.700 4.320 -0.000 0.000 0.318 682 K C -0.167 176.436 176.600 0.004 0.000 0.995 682 K CA -0.716 55.587 56.287 0.026 0.000 1.187 682 K CB 0.152 32.679 32.500 0.046 0.000 1.413 682 K HN 0.287 nan 8.250 nan 0.000 0.556 683 R N 1.620 122.133 120.500 0.021 0.000 2.421 683 R HA 0.173 4.513 4.340 -0.000 0.000 0.305 683 R C -0.295 175.931 176.300 -0.123 0.000 1.039 683 R CA 0.376 56.451 56.100 -0.042 0.000 1.003 683 R CB -0.600 29.772 30.300 0.120 0.000 0.959 683 R HN 0.468 nan 8.270 nan 0.000 0.427 684 T N 3.143 117.435 114.554 -0.435 0.000 2.933 684 T HA 0.544 4.894 4.350 -0.000 0.000 0.305 684 T C -1.117 173.183 174.700 -0.666 0.000 1.092 684 T CA -0.556 61.368 62.100 -0.293 0.000 1.008 684 T CB 1.185 69.980 68.868 -0.121 0.000 1.102 684 T HN 0.346 nan 8.240 nan 0.000 0.469 685 Y N 0.817 121.139 120.300 0.037 0.000 2.442 685 Y HA 0.634 5.184 4.550 -0.000 0.000 0.344 685 Y C 0.004 175.904 175.900 -0.000 0.000 0.976 685 Y CA -1.146 56.971 58.100 0.028 0.000 1.040 685 Y CB 1.788 40.244 38.460 -0.006 0.000 1.228 685 Y HN 0.569 nan 8.280 nan 0.000 0.451 686 V N 0.672 120.648 119.914 0.103 0.000 2.960 686 V HA 0.885 5.004 4.120 -0.000 0.000 0.315 686 V C -1.068 175.069 176.094 0.071 0.000 1.087 686 V CA -1.364 60.911 62.300 -0.042 0.000 0.982 686 V CB 2.068 33.829 31.823 -0.104 0.000 1.039 686 V HN 0.678 nan 8.190 nan 0.000 0.437 687 F N -0.668 119.245 119.950 -0.063 0.000 2.619 687 F HA 0.924 5.450 4.527 -0.000 0.000 0.308 687 F C -0.791 174.802 175.800 -0.345 0.000 1.097 687 F CA -0.815 57.080 58.000 -0.174 0.000 0.953 687 F CB 1.990 40.909 39.000 -0.136 0.000 1.287 687 F HN 0.761 nan 8.300 nan 0.000 0.446 688 E N 2.755 122.644 120.200 -0.518 0.000 2.275 688 E HA 0.734 5.083 4.350 -0.000 0.000 0.270 688 E C -2.123 174.120 176.600 -0.595 0.000 0.882 688 E CA -0.672 55.361 56.400 -0.611 0.000 0.758 688 E CB 2.236 31.416 29.700 -0.868 0.000 1.195 688 E HN 0.835 nan 8.360 nan 0.000 0.419 689 L N 3.347 124.304 121.223 -0.444 0.000 2.436 689 L HA 0.418 4.758 4.340 -0.000 0.000 0.268 689 L C -0.432 176.187 176.870 -0.418 0.000 0.974 689 L CA -1.164 53.449 54.840 -0.379 0.000 0.826 689 L CB 1.964 43.938 42.059 -0.141 0.000 1.291 689 L HN 0.516 nan 8.230 nan 0.000 0.406 690 N N 1.820 120.292 118.700 -0.381 0.000 2.400 690 N HA -0.074 4.666 4.740 -0.000 0.000 0.278 690 N C 0.449 176.015 175.510 0.093 0.000 1.247 690 N CA 0.530 53.532 53.050 -0.080 0.000 0.970 690 N CB 0.247 38.730 38.487 -0.007 0.000 1.312 690 N HN 0.591 nan 8.380 nan 0.000 0.488 691 Y N 3.172 123.514 120.300 0.070 0.000 2.373 691 Y HA -0.128 4.422 4.550 -0.000 0.000 0.293 691 Y C 1.325 177.265 175.900 0.066 0.000 1.129 691 Y CA 0.781 58.920 58.100 0.065 0.000 1.226 691 Y CB 0.455 38.972 38.460 0.096 0.000 1.000 691 Y HN 0.461 nan 8.280 nan 0.000 0.549 692 D N 0.398 120.863 120.400 0.108 0.000 2.123 692 D HA -0.235 4.405 4.640 -0.000 0.000 0.196 692 D C 2.235 178.508 176.300 -0.045 0.000 0.992 692 D CA 1.472 55.474 54.000 0.004 0.000 0.833 692 D CB -0.480 40.359 40.800 0.064 0.000 0.954 692 D HN 0.490 nan 8.370 nan 0.000 0.455 693 A N 0.473 123.285 122.820 -0.014 0.000 1.902 693 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 693 A C 2.287 179.833 177.584 -0.062 0.000 1.181 693 A CA 1.415 53.431 52.037 -0.035 0.000 0.623 693 A CB -0.534 18.443 19.000 -0.038 0.000 0.818 693 A HN 0.159 nan 8.150 nan 0.000 0.443 694 M N -1.549 118.000 119.600 -0.085 0.000 2.132 694 M HA -0.088 4.391 4.480 -0.000 0.000 0.263 694 M C 2.089 178.297 176.300 -0.153 0.000 1.065 694 M CA 1.219 56.473 55.300 -0.076 0.000 1.122 694 M CB -0.214 32.369 32.600 -0.029 0.000 1.365 694 M HN 0.272 nan 8.290 nan 0.000 0.411 695 M N -0.413 119.020 119.600 -0.279 0.000 2.349 695 M HA -0.093 4.386 4.480 -0.000 0.000 0.266 695 M C 1.849 178.068 176.300 -0.136 0.000 1.076 695 M CA 1.495 56.633 55.300 -0.270 0.000 1.126 695 M CB -0.923 31.454 32.600 -0.372 0.000 1.392 695 M HN 0.314 nan 8.290 nan 0.000 0.440 696 Q N -0.210 119.530 119.800 -0.100 0.000 2.291 696 Q HA -0.030 4.309 4.340 -0.000 0.000 0.206 696 Q C 0.227 176.196 176.000 -0.052 0.000 0.976 696 Q CA 0.380 56.145 55.803 -0.062 0.000 0.875 696 Q CB 0.064 28.775 28.738 -0.045 0.000 0.927 696 Q HN 0.226 nan 8.270 nan 0.000 0.450 697 V N 1.755 121.638 119.914 -0.051 0.000 2.479 697 V HA 0.142 4.262 4.120 -0.000 0.000 0.281 697 V C 0.127 176.195 176.094 -0.043 0.000 1.031 697 V CA -0.373 61.905 62.300 -0.037 0.000 1.038 697 V CB 0.613 32.424 31.823 -0.019 0.000 0.981 697 V HN 0.158 nan 8.190 nan 0.000 0.478 698 A N 4.884 127.677 122.820 -0.044 0.000 2.320 698 A HA 0.535 4.855 4.320 -0.000 0.000 0.287 698 A C 0.804 178.356 177.584 -0.053 0.000 1.181 698 A CA 0.001 52.005 52.037 -0.055 0.000 0.831 698 A CB 0.976 19.939 19.000 -0.062 0.000 1.102 698 A HN 1.272 nan 8.150 nan 0.000 0.513 699 V N 1.288 121.169 119.914 -0.054 0.000 3.621 699 V HA 0.533 4.653 4.120 -0.000 0.000 0.263 699 V C 1.210 177.269 176.094 -0.059 0.000 1.272 699 V CA 0.867 63.142 62.300 -0.042 0.000 1.080 699 V CB -1.518 30.290 31.823 -0.024 0.000 0.816 699 V HN 2.292 nan 8.190 nan 0.000 0.451 700 G N 0.444 109.177 108.800 -0.111 0.000 2.539 700 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.256 700 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.256 700 G C -0.384 174.437 174.900 -0.131 0.000 1.233 700 G CA 0.301 45.270 45.100 -0.218 0.000 0.936 700 G HN 0.644 nan 8.290 nan 0.000 0.571 701 Y N -0.086 120.211 120.300 -0.004 0.000 2.335 701 Y HA 0.554 5.104 4.550 -0.000 0.000 0.323 701 Y C 1.606 177.511 175.900 0.008 0.000 1.224 701 Y CA -1.099 57.001 58.100 -0.000 0.000 1.241 701 Y CB 0.808 39.269 38.460 0.002 0.000 1.235 701 Y HN 0.497 nan 8.280 nan 0.000 0.492 702 I N 2.638 123.321 120.570 0.189 0.000 2.919 702 I HA -0.238 3.931 4.170 -0.000 0.000 0.303 702 I C 0.566 176.760 176.117 0.129 0.000 1.221 702 I CA 0.951 62.323 61.300 0.120 0.000 1.444 702 I CB 0.075 38.131 38.000 0.094 0.000 1.331 702 I HN 0.626 nan 8.210 nan 0.000 0.572 703 N N 6.833 125.591 118.700 0.096 0.000 2.420 703 N HA 0.066 4.805 4.740 -0.000 0.000 0.249 703 N C -1.125 174.445 175.510 0.100 0.000 1.033 703 N CA -0.496 52.608 53.050 0.090 0.000 0.944 703 N CB 0.625 39.139 38.487 0.045 0.000 1.113 703 N HN 0.467 nan 8.380 nan 0.000 0.502 704 Y N 3.860 124.169 120.300 0.015 0.000 2.336 704 Y HA 0.248 4.798 4.550 -0.000 0.000 0.335 704 Y C -0.687 175.215 175.900 0.004 0.000 1.046 704 Y CA -0.195 57.908 58.100 0.004 0.000 1.198 704 Y CB 0.716 39.174 38.460 -0.003 0.000 1.182 704 Y HN 0.386 nan 8.280 nan 0.000 0.502 705 E N 6.113 125.855 120.200 -0.764 0.000 2.210 705 E HA 0.166 4.516 4.350 -0.000 0.000 0.266 705 E C -0.882 175.135 176.600 -0.971 0.000 0.883 705 E CA -0.917 55.071 56.400 -0.686 0.000 0.761 705 E CB 1.799 31.314 29.700 -0.309 0.000 1.156 705 E HN 0.734 nan 8.360 nan 0.000 0.412 706 Q N 1.513 120.898 119.800 -0.693 0.000 2.386 706 Q HA 0.125 4.465 4.340 -0.000 0.000 0.282 706 Q C 0.476 176.341 176.000 -0.224 0.000 1.050 706 Q CA 0.257 55.847 55.803 -0.355 0.000 0.918 706 Q CB 0.618 29.306 28.738 -0.083 0.000 1.266 706 Q HN 0.467 nan 8.270 nan 0.000 0.423 707 I N 3.630 124.128 120.570 -0.121 0.000 2.668 707 I HA -0.043 4.127 4.170 -0.000 0.000 0.285 707 I C -1.740 174.311 176.117 -0.111 0.000 1.168 707 I CA -1.351 59.893 61.300 -0.094 0.000 1.424 707 I CB -0.272 37.696 38.000 -0.053 0.000 1.377 707 I HN 0.311 nan 8.210 nan 0.000 0.560 708 P HA -0.103 nan 4.420 nan 0.000 0.261 708 P C 0.108 177.275 177.300 -0.221 0.000 1.158 708 P CA 0.438 63.471 63.100 -0.111 0.000 0.758 708 P CB 0.441 32.116 31.700 -0.042 0.000 0.763 709 K N 1.571 121.695 120.400 -0.460 0.000 2.228 709 K HA 0.052 4.371 4.320 -0.000 0.000 0.202 709 K C 0.277 176.403 176.600 -0.790 0.000 1.051 709 K CA 0.806 56.633 56.287 -0.767 0.000 0.960 709 K CB -0.058 31.715 32.500 -1.211 0.000 0.743 709 K HN 0.373 nan 8.250 nan 0.000 0.458 710 F N 1.238 121.186 119.950 -0.003 0.000 2.492 710 F HA 0.342 4.869 4.527 -0.000 0.000 0.327 710 F C -2.110 173.690 175.800 -0.001 0.000 1.079 710 F CA -3.650 54.349 58.000 -0.002 0.000 0.967 710 F CB 0.235 39.235 39.000 -0.001 0.000 1.169 710 F HN -0.190 nan 8.300 nan 0.000 0.472 711 P HA 0.264 nan 4.420 nan 0.000 0.271 711 P C 0.004 177.364 177.300 0.100 0.000 1.218 711 P CA -0.239 62.919 63.100 0.096 0.000 0.780 711 P CB 0.744 32.484 31.700 0.067 0.000 0.901 712 G N 0.532 109.377 108.800 0.074 0.000 2.537 712 G HA2 0.532 4.492 3.960 -0.000 0.000 0.297 712 G HA3 0.532 4.492 3.960 -0.000 0.000 0.297 712 G C -1.111 173.831 174.900 0.069 0.000 1.310 712 G CA -0.568 44.581 45.100 0.081 0.000 1.027 712 G HN 0.400 nan 8.290 nan 0.000 0.505 713 V N -0.517 119.459 119.914 0.103 0.000 2.656 713 V HA 0.523 4.643 4.120 -0.000 0.000 0.307 713 V C -0.168 176.020 176.094 0.157 0.000 1.051 713 V CA -0.624 61.729 62.300 0.089 0.000 0.893 713 V CB 2.018 33.866 31.823 0.040 0.000 0.999 713 V HN 0.757 nan 8.190 nan 0.000 0.426 714 T N 5.529 120.131 114.554 0.080 0.000 2.794 714 T HA 0.579 4.928 4.350 -0.000 0.000 0.280 714 T C -0.345 174.386 174.700 0.051 0.000 0.987 714 T CA -0.631 61.507 62.100 0.064 0.000 0.993 714 T CB 0.818 69.683 68.868 -0.005 0.000 0.939 714 T HN 0.500 nan 8.240 nan 0.000 0.449 715 R N 2.535 123.090 120.500 0.092 0.000 2.599 715 R HA 0.471 4.811 4.340 -0.000 0.000 0.295 715 R C -1.264 175.106 176.300 0.117 0.000 0.963 715 R CA -0.912 55.210 56.100 0.037 0.000 0.883 715 R CB 1.792 32.011 30.300 -0.135 0.000 1.171 715 R HN 0.558 nan 8.270 nan 0.000 0.450 716 D N 3.057 123.528 120.400 0.118 0.000 2.181 716 D HA 0.515 5.155 4.640 -0.000 0.000 0.248 716 D C 0.330 176.773 176.300 0.238 0.000 1.020 716 D CA -0.332 53.802 54.000 0.223 0.000 0.891 716 D CB 1.714 42.656 40.800 0.237 0.000 1.187 716 D HN 0.427 nan 8.370 nan 0.000 0.443 717 I N -2.718 117.997 120.570 0.242 0.000 2.865 717 I HA 0.831 5.001 4.170 -0.000 0.000 0.302 717 I C -1.371 174.797 176.117 0.085 0.000 1.140 717 I CA -1.345 60.051 61.300 0.161 0.000 1.021 717 I CB 2.434 40.518 38.000 0.140 0.000 1.233 717 I HN 0.303 nan 8.210 nan 0.000 0.427 718 A N 6.245 129.094 122.820 0.049 0.000 2.332 718 A HA 0.800 5.119 4.320 -0.000 0.000 0.300 718 A C -1.103 176.486 177.584 0.008 0.000 1.153 718 A CA -0.471 51.566 52.037 0.001 0.000 0.764 718 A CB 1.009 20.017 19.000 0.013 0.000 1.174 718 A HN 0.717 nan 8.150 nan 0.000 0.467 719 L N 2.558 123.777 121.223 -0.006 0.000 2.343 719 L HA 0.413 4.752 4.340 -0.000 0.000 0.278 719 L C -0.122 176.751 176.870 0.006 0.000 0.996 719 L CA -0.323 54.518 54.840 0.001 0.000 0.831 719 L CB 1.946 44.001 42.059 -0.007 0.000 1.232 719 L HN 0.753 nan 8.230 nan 0.000 0.413 720 E N 2.570 122.780 120.200 0.017 0.000 2.229 720 E HA 0.556 4.905 4.350 -0.000 0.000 0.283 720 E C -1.038 175.571 176.600 0.015 0.000 1.030 720 E CA -0.247 56.168 56.400 0.025 0.000 0.836 720 E CB 2.518 32.239 29.700 0.035 0.000 1.068 720 E HN 0.196 nan 8.360 nan 0.000 0.401 721 V N 3.426 123.348 119.914 0.013 0.000 3.147 721 V HA 0.137 4.257 4.120 -0.000 0.000 0.299 721 V C -1.028 175.069 176.094 0.005 0.000 1.302 721 V CA -1.097 61.204 62.300 0.002 0.000 1.015 721 V CB 2.569 34.389 31.823 -0.006 0.000 1.086 721 V HN 0.676 nan 8.190 nan 0.000 0.437 722 N N 3.186 121.881 118.700 -0.009 0.000 2.407 722 N HA 0.036 4.776 4.740 -0.000 0.000 0.250 722 N C 1.238 176.718 175.510 -0.049 0.000 1.236 722 N CA 0.398 53.438 53.050 -0.018 0.000 0.879 722 N CB 0.313 38.764 38.487 -0.060 0.000 1.088 722 N HN 0.955 nan 8.380 nan 0.000 0.450 723 H N 0.894 119.950 119.070 -0.024 0.000 2.489 723 H HA -0.116 4.440 4.556 -0.000 0.000 0.293 723 H C -0.006 175.307 175.328 -0.027 0.000 1.066 723 H CA 1.305 57.334 56.048 -0.033 0.000 1.305 723 H CB 0.187 29.925 29.762 -0.040 0.000 1.386 723 H HN 0.568 nan 8.280 nan 0.000 0.551 724 D N 1.108 121.141 120.400 -0.612 0.000 2.340 724 D HA 0.056 4.696 4.640 -0.000 0.000 0.217 724 D C 0.351 176.547 176.300 -0.173 0.000 1.081 724 D CA -0.372 53.385 54.000 -0.405 0.000 0.842 724 D CB -0.320 40.189 40.800 -0.485 0.000 0.934 724 D HN 0.126 nan 8.370 nan 0.000 0.511 725 V N 3.004 122.846 119.914 -0.121 0.000 2.470 725 V HA 0.205 4.325 4.120 -0.000 0.000 0.276 725 V C -1.894 174.177 176.094 -0.038 0.000 1.040 725 V CA -1.142 61.119 62.300 -0.064 0.000 1.008 725 V CB 1.006 32.801 31.823 -0.047 0.000 0.990 725 V HN 0.148 nan 8.190 nan 0.000 0.477 726 P HA 0.124 nan 4.420 nan 0.000 0.275 726 P C 0.862 178.166 177.300 0.006 0.000 1.227 726 P CA -0.167 62.932 63.100 -0.001 0.000 0.781 726 P CB 1.104 32.813 31.700 0.015 0.000 0.906 727 S N 1.840 117.546 115.700 0.009 0.000 2.419 727 S HA -0.195 4.275 4.470 -0.000 0.000 0.235 727 S C 1.850 176.466 174.600 0.026 0.000 1.019 727 S CA 1.748 59.953 58.200 0.008 0.000 0.982 727 S CB -1.448 61.750 63.200 -0.003 0.000 0.789 727 S HN 0.580 nan 8.310 nan 0.000 0.490 728 S N 1.298 117.022 115.700 0.040 0.000 2.400 728 S HA -0.166 4.304 4.470 -0.000 0.000 0.232 728 S C 1.775 176.397 174.600 0.038 0.000 1.025 728 S CA 1.257 59.486 58.200 0.049 0.000 0.993 728 S CB -0.706 62.533 63.200 0.064 0.000 0.808 728 S HN 0.733 nan 8.310 nan 0.000 0.478 729 E N 0.990 121.207 120.200 0.028 0.000 2.072 729 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 729 E C 2.108 178.722 176.600 0.024 0.000 0.985 729 E CA 1.289 57.702 56.400 0.021 0.000 0.801 729 E CB -0.256 29.450 29.700 0.009 0.000 0.750 729 E HN 0.552 nan 8.360 nan 0.000 0.452 730 L N 0.752 121.988 121.223 0.021 0.000 2.027 730 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 730 L C 2.355 179.251 176.870 0.042 0.000 1.074 730 L CA 1.149 56.002 54.840 0.021 0.000 0.745 730 L CB -0.391 41.673 42.059 0.010 0.000 0.898 730 L HN 0.006 nan 8.230 nan 0.000 0.433 731 K N -0.220 120.216 120.400 0.060 0.000 2.113 731 K HA -0.282 4.037 4.320 -0.000 0.000 0.208 731 K C 2.198 178.895 176.600 0.162 0.000 1.047 731 K CA 1.621 57.979 56.287 0.118 0.000 0.928 731 K CB -0.167 32.397 32.500 0.108 0.000 0.716 731 K HN 0.122 nan 8.250 nan 0.000 0.446 732 Q N 1.138 120.993 119.800 0.092 0.000 2.083 732 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 732 Q C 1.820 177.873 176.000 0.089 0.000 0.969 732 Q CA 1.291 57.144 55.803 0.084 0.000 0.838 732 Q CB -0.095 28.668 28.738 0.041 0.000 0.900 732 Q HN 0.303 nan 8.270 nan 0.000 0.436 733 I N -0.189 120.416 120.570 0.058 0.000 2.208 733 I HA -0.305 3.864 4.170 -0.000 0.000 0.245 733 I C 2.000 178.140 176.117 0.039 0.000 1.097 733 I CA 1.154 62.477 61.300 0.039 0.000 1.363 733 I CB -0.292 37.720 38.000 0.020 0.000 1.051 733 I HN 0.224 nan 8.210 nan 0.000 0.413 734 I N -0.362 120.233 120.570 0.041 0.000 2.202 734 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 734 I C 2.594 178.691 176.117 -0.033 0.000 1.091 734 I CA 1.311 62.606 61.300 -0.008 0.000 1.368 734 I CB -0.647 37.330 38.000 -0.038 0.000 1.058 734 I HN 0.285 nan 8.210 nan 0.000 0.410 735 H N 0.788 119.855 119.070 -0.004 0.000 2.387 735 H HA -0.121 4.434 4.556 -0.000 0.000 0.299 735 H C 1.875 177.208 175.328 0.009 0.000 1.090 735 H CA 1.389 57.436 56.048 -0.001 0.000 1.332 735 H CB -0.196 29.565 29.762 -0.001 0.000 1.386 735 H HN 0.349 nan 8.280 nan 0.000 0.516 736 N N 0.854 119.624 118.700 0.117 0.000 2.364 736 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 736 N C 0.947 176.484 175.510 0.045 0.000 1.022 736 N CA 0.736 53.828 53.050 0.070 0.000 0.883 736 N CB -0.096 38.422 38.487 0.050 0.000 0.965 736 N HN 0.452 nan 8.380 nan 0.000 0.438 737 N N -0.939 117.780 118.700 0.033 0.000 2.187 737 N HA 0.124 4.864 4.740 -0.000 0.000 0.212 737 N C 1.030 176.560 175.510 0.034 0.000 1.152 737 N CA 0.069 53.135 53.050 0.025 0.000 0.872 737 N CB 0.940 39.435 38.487 0.014 0.000 1.025 737 N HN 0.153 nan 8.380 nan 0.000 0.514 738 G N 0.468 109.283 108.800 0.025 0.000 3.042 738 G HA2 0.047 4.006 3.960 -0.000 0.000 0.212 738 G HA3 0.047 4.006 3.960 -0.000 0.000 0.212 738 G C 0.593 175.533 174.900 0.067 0.000 1.166 738 G CA -0.054 45.067 45.100 0.034 0.000 0.767 738 G HN 0.173 nan 8.290 nan 0.000 0.546 739 E N 0.599 120.831 120.200 0.053 0.000 3.498 739 E HA -0.308 4.042 4.350 -0.000 0.000 0.395 739 E C 1.169 177.802 176.600 0.055 0.000 1.577 739 E CA 1.762 58.192 56.400 0.050 0.000 1.700 739 E CB -0.599 29.128 29.700 0.046 0.000 1.647 739 E HN 0.476 nan 8.360 nan 0.000 0.442 740 D N 0.673 121.106 120.400 0.055 0.000 2.333 740 D HA -0.036 4.604 4.640 -0.000 0.000 0.208 740 D C 1.851 178.191 176.300 0.067 0.000 0.984 740 D CA 1.516 55.547 54.000 0.052 0.000 0.873 740 D CB -0.183 40.640 40.800 0.039 0.000 0.935 740 D HN 0.545 nan 8.370 nan 0.000 0.521 741 I N -2.208 118.424 120.570 0.103 0.000 4.070 741 I HA 0.266 4.435 4.170 -0.000 0.000 0.328 741 I C 0.580 176.799 176.117 0.171 0.000 1.298 741 I CA -0.564 60.827 61.300 0.152 0.000 1.173 741 I CB 0.122 38.227 38.000 0.176 0.000 1.051 741 I HN -0.210 nan 8.210 nan 0.000 0.409 742 L N 2.081 123.354 121.223 0.083 0.000 2.369 742 L HA 0.188 4.528 4.340 -0.000 0.000 0.279 742 L C 1.090 177.861 176.870 -0.165 0.000 1.108 742 L CA 0.336 55.072 54.840 -0.174 0.000 0.852 742 L CB 1.006 42.905 42.059 -0.268 0.000 1.169 742 L HN 0.131 nan 8.230 nan 0.000 0.452 743 Q N 2.493 122.189 119.800 -0.173 0.000 2.287 743 Q HA 0.225 4.565 4.340 -0.000 0.000 0.201 743 Q C -0.072 175.920 176.000 -0.014 0.000 0.946 743 Q CA 0.973 56.744 55.803 -0.054 0.000 0.868 743 Q CB 0.483 29.203 28.738 -0.029 0.000 0.967 743 Q HN 0.856 nan 8.270 nan 0.000 0.516 744 S N -3.005 112.642 115.700 -0.088 0.000 2.636 744 S HA 0.681 5.150 4.470 -0.000 0.000 0.268 744 S C -0.875 173.688 174.600 -0.062 0.000 1.159 744 S CA -0.706 57.505 58.200 0.019 0.000 0.815 744 S CB 1.579 64.802 63.200 0.039 0.000 1.130 744 S HN -0.053 nan 8.310 nan 0.000 0.471 745 T N 0.697 115.279 114.554 0.046 0.000 2.956 745 T HA 0.682 5.031 4.350 -0.000 0.000 0.312 745 T C -2.294 172.449 174.700 0.072 0.000 1.151 745 T CA -0.430 61.691 62.100 0.035 0.000 1.024 745 T CB 1.340 70.248 68.868 0.067 0.000 1.140 745 T HN 1.059 nan 8.240 nan 0.000 0.473 746 L N 5.382 126.655 121.223 0.082 0.000 2.482 746 L HA 0.712 5.052 4.340 -0.000 0.000 0.269 746 L C -0.566 176.388 176.870 0.139 0.000 0.967 746 L CA -0.781 54.117 54.840 0.096 0.000 0.851 746 L CB 1.523 43.640 42.059 0.096 0.000 1.242 746 L HN 0.495 nan 8.230 nan 0.000 0.404 747 V N 4.551 124.506 119.914 0.069 0.000 2.521 747 V HA 0.273 4.393 4.120 -0.000 0.000 0.286 747 V C 0.369 176.496 176.094 0.055 0.000 1.034 747 V CA 0.694 62.999 62.300 0.008 0.000 1.045 747 V CB 0.430 32.213 31.823 -0.067 0.000 0.974 747 V HN 0.814 nan 8.190 nan 0.000 0.480 748 F N 2.252 122.185 119.950 -0.029 0.000 2.728 748 F HA 0.665 5.192 4.527 -0.000 0.000 0.314 748 F C 0.085 175.865 175.800 -0.033 0.000 1.094 748 F CA -0.362 57.618 58.000 -0.034 0.000 1.217 748 F CB 0.125 39.111 39.000 -0.024 0.000 1.056 748 F HN 0.578 nan 8.300 nan 0.000 0.577 749 D N 0.408 120.544 120.400 -0.440 0.000 2.836 749 D HA 0.513 5.153 4.640 -0.000 0.000 0.215 749 D C -1.779 174.384 176.300 -0.228 0.000 1.255 749 D CA -0.353 53.481 54.000 -0.276 0.000 0.822 749 D CB 2.710 43.344 40.800 -0.276 0.000 1.656 749 D HN -0.067 nan 8.370 nan 0.000 0.511 750 V N 3.329 123.174 119.914 -0.115 0.000 2.487 750 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 750 V C -1.084 175.027 176.094 0.028 0.000 1.028 750 V CA -0.816 61.447 62.300 -0.062 0.000 0.860 750 V CB 1.337 33.114 31.823 -0.076 0.000 0.991 750 V HN 0.594 nan 8.190 nan 0.000 0.427 751 Y N 3.319 123.572 120.300 -0.079 0.000 2.334 751 Y HA 0.607 5.156 4.550 -0.000 0.000 0.336 751 Y C -0.109 175.774 175.900 -0.029 0.000 0.960 751 Y CA -0.658 57.410 58.100 -0.054 0.000 1.164 751 Y CB 1.472 39.901 38.460 -0.052 0.000 1.155 751 Y HN 0.737 nan 8.280 nan 0.000 0.478 752 E N 4.458 124.275 120.200 -0.638 0.000 2.185 752 E HA 0.644 4.993 4.350 -0.000 0.000 0.261 752 E C -0.538 175.550 176.600 -0.854 0.000 0.879 752 E CA -0.519 55.468 56.400 -0.688 0.000 0.756 752 E CB 1.289 30.811 29.700 -0.298 0.000 1.152 752 E HN 0.984 nan 8.360 nan 0.000 0.416 753 G N 1.968 110.205 108.800 -0.939 0.000 2.494 753 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.308 753 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.308 753 G C -0.093 174.793 174.900 -0.023 0.000 1.263 753 G CA -0.522 44.362 45.100 -0.359 0.000 0.840 753 G HN 0.462 nan 8.290 nan 0.000 0.479 754 E N -0.938 119.375 120.200 0.190 0.000 2.358 754 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 754 E C 0.983 177.715 176.600 0.220 0.000 1.010 754 E CA 0.324 56.826 56.400 0.171 0.000 0.856 754 E CB 0.052 29.848 29.700 0.161 0.000 0.795 754 E HN 0.467 nan 8.360 nan 0.000 0.504 755 H N -0.374 118.836 119.070 0.233 0.000 2.612 755 H HA 0.211 4.767 4.556 -0.000 0.000 0.285 755 H C -0.742 174.712 175.328 0.209 0.000 1.066 755 H CA 0.327 56.494 56.048 0.199 0.000 1.180 755 H CB -0.013 29.835 29.762 0.143 0.000 1.312 755 H HN -0.030 nan 8.280 nan 0.000 0.606 756 L N -0.160 121.207 121.223 0.240 0.000 2.641 756 L HA 0.193 4.532 4.340 -0.000 0.000 0.261 756 L C -0.744 176.166 176.870 0.067 0.000 0.926 756 L CA -0.705 54.234 54.840 0.165 0.000 0.917 756 L CB 1.577 43.778 42.059 0.236 0.000 1.361 756 L HN 0.016 nan 8.230 nan 0.000 0.417 757 E N 3.504 123.733 120.200 0.048 0.000 3.231 757 E HA -0.189 4.160 4.350 -0.000 0.000 0.271 757 E C -0.321 176.287 176.600 0.012 0.000 0.877 757 E CA 0.782 57.197 56.400 0.025 0.000 0.973 757 E CB 0.432 30.148 29.700 0.026 0.000 0.922 757 E HN 0.533 nan 8.360 nan 0.000 0.532 758 K N 2.358 122.759 120.400 0.001 0.000 2.414 758 K HA 0.031 4.351 4.320 -0.000 0.000 0.272 758 K C 0.914 177.514 176.600 -0.000 0.000 0.993 758 K CA 0.871 57.148 56.287 -0.017 0.000 0.964 758 K CB 0.309 32.795 32.500 -0.023 0.000 0.925 758 K HN 0.695 nan 8.250 nan 0.000 0.487 759 G N 2.080 110.874 108.800 -0.010 0.000 2.189 759 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.267 759 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.267 759 G C -0.289 174.681 174.900 0.117 0.000 0.975 759 G CA 0.409 45.555 45.100 0.077 0.000 0.644 759 G HN 0.507 nan 8.290 nan 0.000 0.537 760 K N 0.764 121.195 120.400 0.051 0.000 2.123 760 K HA 0.571 4.891 4.320 -0.000 0.000 0.259 760 K C 0.523 177.136 176.600 0.022 0.000 0.960 760 K CA -0.426 55.888 56.287 0.045 0.000 0.872 760 K CB 1.730 34.251 32.500 0.035 0.000 1.079 760 K HN 0.685 nan 8.250 nan 0.000 0.440 761 K N -1.222 119.194 120.400 0.026 0.000 2.340 761 K HA 0.511 4.831 4.320 -0.000 0.000 0.244 761 K C -0.573 176.042 176.600 0.025 0.000 0.973 761 K CA -0.786 55.498 56.287 -0.005 0.000 0.828 761 K CB 1.837 34.334 32.500 -0.006 0.000 1.226 761 K HN 0.261 nan 8.250 nan 0.000 0.437 762 S N 1.188 116.921 115.700 0.055 0.000 2.456 762 S HA 0.393 4.862 4.470 -0.000 0.000 0.316 762 S C -1.037 173.567 174.600 0.007 0.000 1.089 762 S CA -0.683 57.554 58.200 0.061 0.000 1.101 762 S CB 0.859 64.140 63.200 0.134 0.000 0.995 762 S HN 0.402 nan 8.310 nan 0.000 0.468 763 V N 4.422 124.312 119.914 -0.039 0.000 2.384 763 V HA 0.716 4.836 4.120 -0.000 0.000 0.287 763 V C 0.333 176.331 176.094 -0.160 0.000 1.020 763 V CA -0.838 61.404 62.300 -0.097 0.000 0.850 763 V CB 1.058 32.841 31.823 -0.067 0.000 0.987 763 V HN 0.987 nan 8.190 nan 0.000 0.436 764 A N 7.062 129.682 122.820 -0.334 0.000 2.290 764 A HA 0.884 5.203 4.320 -0.000 0.000 0.310 764 A C -0.483 176.775 177.584 -0.544 0.000 1.202 764 A CA -0.423 51.290 52.037 -0.541 0.000 0.837 764 A CB 0.391 18.754 19.000 -1.062 0.000 1.139 764 A HN 0.762 nan 8.150 nan 0.000 0.509 765 I N 1.368 121.869 120.570 -0.115 0.000 2.582 765 I HA 0.479 4.649 4.170 -0.000 0.000 0.292 765 I C -0.136 176.196 176.117 0.360 0.000 1.066 765 I CA -0.774 60.593 61.300 0.110 0.000 1.053 765 I CB 2.167 40.203 38.000 0.060 0.000 1.241 765 I HN 0.798 nan 8.210 nan 0.000 0.421 766 R N 4.757 125.479 120.500 0.370 0.000 2.255 766 R HA 0.603 4.943 4.340 -0.000 0.000 0.326 766 R C -1.679 174.673 176.300 0.085 0.000 0.986 766 R CA -0.441 55.790 56.100 0.217 0.000 0.847 766 R CB 0.933 31.288 30.300 0.090 0.000 1.111 766 R HN 0.482 nan 8.270 nan 0.000 0.452 767 L N 4.441 125.693 121.223 0.049 0.000 2.282 767 L HA 0.424 4.764 4.340 -0.000 0.000 0.288 767 L C -0.572 176.182 176.870 -0.193 0.000 1.033 767 L CA -0.207 54.566 54.840 -0.110 0.000 0.807 767 L CB 1.489 43.505 42.059 -0.073 0.000 1.209 767 L HN 0.642 nan 8.230 nan 0.000 0.423 768 N N 3.400 121.931 118.700 -0.282 0.000 2.392 768 N HA 0.373 5.113 4.740 -0.000 0.000 0.283 768 N C -1.198 174.116 175.510 -0.327 0.000 1.003 768 N CA -0.402 52.533 53.050 -0.191 0.000 0.892 768 N CB 1.598 40.035 38.487 -0.084 0.000 1.193 768 N HN 0.324 nan 8.380 nan 0.000 0.487 769 Y N 1.040 121.337 120.300 -0.005 0.000 2.446 769 Y HA 0.662 5.211 4.550 -0.001 0.000 0.338 769 Y C -0.072 175.831 175.900 0.004 0.000 1.055 769 Y CA -0.952 57.146 58.100 -0.004 0.000 1.101 769 Y CB 1.790 40.246 38.460 -0.007 0.000 1.221 769 Y HN 0.335 nan 8.280 nan 0.000 0.460 770 L N 2.906 124.232 121.223 0.172 0.000 2.705 770 L HA 0.376 4.715 4.340 -0.000 0.000 0.260 770 L C -2.014 174.918 176.870 0.103 0.000 0.921 770 L CA -0.359 54.550 54.840 0.115 0.000 0.948 770 L CB 1.803 43.908 42.059 0.076 0.000 1.427 770 L HN 0.596 nan 8.230 nan 0.000 0.432 771 D N 1.842 122.302 120.400 0.100 0.000 2.303 771 D HA 0.340 4.980 4.640 -0.000 0.000 0.236 771 D C 0.974 177.369 176.300 0.158 0.000 1.068 771 D CA 0.273 54.325 54.000 0.087 0.000 0.830 771 D CB 2.013 42.830 40.800 0.028 0.000 1.109 771 D HN 0.727 nan 8.370 nan 0.000 0.496 772 T N 0.680 115.317 114.554 0.139 0.000 3.007 772 T HA -0.054 4.296 4.350 -0.000 0.000 0.270 772 T C 0.884 175.773 174.700 0.316 0.000 1.107 772 T CA 0.717 62.929 62.100 0.187 0.000 1.118 772 T CB 0.255 69.176 68.868 0.088 0.000 0.889 772 T HN 0.259 nan 8.240 nan 0.000 0.506 773 E N 0.599 120.929 120.200 0.217 0.000 2.498 773 E HA 0.336 4.686 4.350 -0.000 0.000 0.203 773 E C -0.234 176.326 176.600 -0.067 0.000 1.013 773 E CA 0.026 56.534 56.400 0.180 0.000 0.927 773 E CB 0.483 30.224 29.700 0.069 0.000 1.012 773 E HN 0.530 nan 8.360 nan 0.000 0.482 774 D N -1.455 118.733 120.400 -0.353 0.000 2.710 774 D HA 0.110 4.749 4.640 -0.000 0.000 0.276 774 D C -1.140 174.733 176.300 -0.711 0.000 1.267 774 D CA -0.305 53.256 54.000 -0.731 0.000 0.772 774 D CB 1.503 42.114 40.800 -0.316 0.000 1.299 774 D HN -0.233 nan 8.370 nan 0.000 0.421 775 T N 0.734 114.910 114.554 -0.629 0.000 2.922 775 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 775 T C -0.206 174.396 174.700 -0.163 0.000 1.005 775 T CA -0.414 61.502 62.100 -0.306 0.000 1.061 775 T CB 0.366 69.082 68.868 -0.252 0.000 1.007 775 T HN 0.174 nan 8.240 nan 0.000 0.502 776 L N 4.487 125.664 121.223 -0.078 0.000 2.257 776 L HA 0.355 4.695 4.340 -0.000 0.000 0.290 776 L C 0.979 177.806 176.870 -0.073 0.000 1.044 776 L CA -0.828 53.972 54.840 -0.067 0.000 0.810 776 L CB 1.336 43.373 42.059 -0.037 0.000 1.193 776 L HN 0.780 nan 8.230 nan 0.000 0.425 777 T N -2.097 112.409 114.554 -0.081 0.000 2.913 777 T HA 0.096 4.445 4.350 -0.000 0.000 0.297 777 T C 0.768 175.415 174.700 -0.088 0.000 1.029 777 T CA -0.885 61.170 62.100 -0.075 0.000 1.104 777 T CB 1.368 70.195 68.868 -0.068 0.000 0.964 777 T HN 0.420 nan 8.240 nan 0.000 0.532 778 D N 0.958 121.310 120.400 -0.080 0.000 2.221 778 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 778 D C 1.961 178.198 176.300 -0.104 0.000 0.982 778 D CA 1.080 55.023 54.000 -0.095 0.000 0.857 778 D CB 0.159 40.915 40.800 -0.073 0.000 0.934 778 D HN 0.748 nan 8.370 nan 0.000 0.475 779 E N 0.198 120.349 120.200 -0.082 0.000 2.230 779 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 779 E C 2.052 178.606 176.600 -0.078 0.000 0.987 779 E CA 0.144 56.503 56.400 -0.069 0.000 0.841 779 E CB -0.096 29.573 29.700 -0.052 0.000 0.783 779 E HN 0.289 nan 8.360 nan 0.000 0.481 780 R N 1.363 121.809 120.500 -0.090 0.000 2.093 780 R HA -0.026 4.314 4.340 -0.000 0.000 0.224 780 R C 2.243 178.460 176.300 -0.137 0.000 1.101 780 R CA 0.740 56.786 56.100 -0.090 0.000 0.979 780 R CB 0.056 30.307 30.300 -0.081 0.000 0.877 780 R HN -0.016 nan 8.270 nan 0.000 0.441 781 V N 0.328 120.119 119.914 -0.206 0.000 2.295 781 V HA -0.206 3.913 4.120 -0.000 0.000 0.246 781 V C 2.246 178.165 176.094 -0.292 0.000 1.049 781 V CA 2.008 64.075 62.300 -0.388 0.000 1.024 781 V CB -0.363 31.183 31.823 -0.462 0.000 0.648 781 V HN 0.341 nan 8.190 nan 0.000 0.447 782 S N -0.726 114.871 115.700 -0.170 0.000 2.382 782 S HA -0.241 4.229 4.470 -0.000 0.000 0.228 782 S C 2.047 176.636 174.600 -0.018 0.000 1.027 782 S CA 1.857 60.015 58.200 -0.070 0.000 0.991 782 S CB -0.305 62.863 63.200 -0.054 0.000 0.823 782 S HN 0.630 nan 8.310 nan 0.000 0.469 783 K N 1.007 121.381 120.400 -0.043 0.000 2.002 783 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 783 K C 1.990 178.588 176.600 -0.002 0.000 1.048 783 K CA 1.548 57.823 56.287 -0.020 0.000 0.930 783 K CB -0.336 32.147 32.500 -0.028 0.000 0.714 783 K HN 0.328 nan 8.250 nan 0.000 0.438 784 I N 0.351 120.916 120.570 -0.009 0.000 2.202 784 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 784 I C 2.523 178.687 176.117 0.079 0.000 1.091 784 I CA 1.383 62.703 61.300 0.034 0.000 1.368 784 I CB -0.377 37.656 38.000 0.056 0.000 1.058 784 I HN 0.350 nan 8.210 nan 0.000 0.410 785 H N 1.224 120.275 119.070 -0.031 0.000 2.390 785 H HA -0.229 4.327 4.556 -0.000 0.000 0.298 785 H C 1.734 177.082 175.328 0.033 0.000 1.106 785 H CA 2.153 58.225 56.048 0.041 0.000 1.297 785 H CB -0.034 29.708 29.762 -0.034 0.000 1.375 785 H HN 0.261 nan 8.280 nan 0.000 0.509 786 D N 0.001 120.431 120.400 0.050 0.000 2.117 786 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 786 D C 2.024 178.311 176.300 -0.023 0.000 0.982 786 D CA 1.006 55.009 54.000 0.005 0.000 0.828 786 D CB -0.114 40.700 40.800 0.023 0.000 0.967 786 D HN 0.412 nan 8.370 nan 0.000 0.464 787 K N 0.162 120.557 120.400 -0.009 0.000 2.057 787 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 787 K C 2.250 178.835 176.600 -0.024 0.000 1.049 787 K CA 0.641 56.923 56.287 -0.009 0.000 0.931 787 K CB -0.017 32.487 32.500 0.006 0.000 0.714 787 K HN 0.162 nan 8.250 nan 0.000 0.440 788 I N 0.653 121.196 120.570 -0.043 0.000 2.163 788 I HA -0.282 3.888 4.170 -0.000 0.000 0.240 788 I C 1.960 178.018 176.117 -0.098 0.000 1.081 788 I CA 0.711 61.972 61.300 -0.066 0.000 1.353 788 I CB -0.231 37.718 38.000 -0.084 0.000 1.054 788 I HN 0.063 nan 8.210 nan 0.000 0.407 789 L N 0.809 121.934 121.223 -0.164 0.000 2.034 789 L HA -0.289 4.050 4.340 -0.000 0.000 0.217 789 L C 2.449 179.286 176.870 -0.055 0.000 1.077 789 L CA 1.934 56.703 54.840 -0.117 0.000 0.769 789 L CB -1.123 40.864 42.059 -0.121 0.000 0.890 789 L HN 0.297 nan 8.230 nan 0.000 0.435 790 E N -1.263 118.912 120.200 -0.040 0.000 2.047 790 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 790 E C 2.259 178.850 176.600 -0.016 0.000 0.987 790 E CA 1.075 57.462 56.400 -0.021 0.000 0.799 790 E CB -0.261 29.431 29.700 -0.013 0.000 0.752 790 E HN 0.517 nan 8.360 nan 0.000 0.449 791 A N 1.226 124.036 122.820 -0.017 0.000 1.892 791 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 791 A C 2.212 179.789 177.584 -0.011 0.000 1.188 791 A CA 1.350 53.380 52.037 -0.010 0.000 0.631 791 A CB -0.806 18.190 19.000 -0.007 0.000 0.822 791 A HN 0.153 nan 8.150 nan 0.000 0.447 792 L N -1.516 119.696 121.223 -0.019 0.000 2.046 792 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 792 L C 2.907 179.770 176.870 -0.012 0.000 1.077 792 L CA 1.875 56.705 54.840 -0.016 0.000 0.747 792 L CB -0.422 41.622 42.059 -0.025 0.000 0.896 792 L HN 0.450 nan 8.230 nan 0.000 0.432 793 Q N -0.607 119.185 119.800 -0.013 0.000 2.079 793 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 793 Q C 2.239 178.236 176.000 -0.005 0.000 0.974 793 Q CA 1.756 57.555 55.803 -0.007 0.000 0.840 793 Q CB -0.181 28.553 28.738 -0.007 0.000 0.898 793 Q HN 0.507 nan 8.270 nan 0.000 0.430 794 A N 0.042 122.859 122.820 -0.005 0.000 2.067 794 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 794 A C 1.453 179.035 177.584 -0.003 0.000 1.158 794 A CA 1.031 53.066 52.037 -0.003 0.000 0.661 794 A CB -0.212 18.786 19.000 -0.003 0.000 0.801 794 A HN 0.409 nan 8.150 nan 0.000 0.452 795 Q N -1.090 118.708 119.800 -0.003 0.000 2.282 795 Q HA 0.280 4.620 4.340 -0.000 0.000 0.205 795 Q C 0.817 176.814 176.000 -0.004 0.000 0.915 795 Q CA 0.264 56.065 55.803 -0.003 0.000 0.949 795 Q CB 0.052 28.789 28.738 -0.002 0.000 1.035 795 Q HN 0.821 nan 8.270 nan 0.000 0.484 796 G N 0.856 109.654 108.800 -0.003 0.000 2.136 796 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 796 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 796 G C 0.134 175.033 174.900 -0.002 0.000 0.989 796 G CA 0.071 45.170 45.100 -0.003 0.000 0.682 796 G HN 0.451 nan 8.290 nan 0.000 0.522 797 A N 0.976 123.794 122.820 -0.002 0.000 2.801 797 A HA 0.708 5.027 4.320 -0.000 0.000 0.344 797 A C 0.730 178.314 177.584 0.001 0.000 1.322 797 A CA 0.512 52.548 52.037 -0.002 0.000 0.913 797 A CB 0.174 19.171 19.000 -0.005 0.000 1.140 797 A HN 0.740 nan 8.150 nan 0.000 0.487 798 T N 4.653 119.211 114.554 0.006 0.000 2.866 798 T HA 0.149 4.499 4.350 -0.000 0.000 0.293 798 T C 1.122 175.830 174.700 0.013 0.000 1.005 798 T CA 0.410 62.516 62.100 0.010 0.000 1.162 798 T CB -0.281 68.596 68.868 0.015 0.000 0.968 798 T HN 0.485 nan 8.240 nan 0.000 0.530 799 I N 0.000 120.579 120.570 0.014 0.000 2.984 799 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 799 I CA 0.000 61.313 61.300 0.022 0.000 1.566 799 I CB 0.000 38.017 38.000 0.028 0.000 1.214 799 I HN 0.000 nan 8.210 nan 0.000 0.494