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 2nym_1_A DATA FIRST_RESID 8 DATA SEQUENCE DSLYPIAVLI DELRNEDVQL RLNSIKKLST IALALGVERT RSELLPFLTD DATA SEQUENCE TIYDEDEVLL ALAEQLGTFT TLVGGPEYVH CLLPPLESLA TVEETVVRDK DATA SEQUENCE AVESLRAISH EHSPSDLEAH FVPLVKRLAG GDWFTSRTSA CGLFSVCYPR DATA SEQUENCE VSSAVKAELR QYFRNLCSDD TPXVRRAAAS KLGEFAKVLE LDNVKSEIIP DATA SEQUENCE XFSNLASDEQ DSVRLLAVEA CVNIAQLLPQ EDLEALVXPT LRQAAEDKSW DATA SEQUENCE RVRYXVADKF TELQKAVGPE ITKTDLVPAF QNLXKDCEAE VRAAASHKVK DATA SEQUENCE EFCENLSADC RENVIXSQIL PCIKELVSDA NQHVKSALAS VIXGLSPILG DATA SEQUENCE KDNTIEHLLP LFLAQLKDEC PEVRLNIISN LDCVNEVIGI RQLSQSLLPA DATA SEQUENCE IVELAEDAKW RVRLAIIEYX PLLAGQLGVE FFDEKLNSLC XAWLVDHVYA DATA SEQUENCE IREAATSNLK KLVEKFGKEW AHATIIPKVL AXSGDPNYLH RXTTLFCINV DATA SEQUENCE LSEVCGQDIT TKHXLPTVLR XAGDPVANVR FNVAKSLQKI GPILDNSTLQ DATA SEQUENCE SEVKPILEKL TQDQDVDVKY FAQEALTVLS LA 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 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.277 176.300 -0.039 0.000 2.045 8 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 8 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 9 S N -0.068 115.609 115.700 -0.038 0.000 2.651 9 S HA 0.630 5.100 4.470 -0.000 0.000 0.279 9 S C -1.069 173.484 174.600 -0.079 0.000 1.148 9 S CA -0.586 57.565 58.200 -0.082 0.000 0.837 9 S CB 1.763 64.924 63.200 -0.065 0.000 1.138 9 S HN 0.060 nan 8.310 nan 0.000 0.478 10 L N 2.520 123.650 121.223 -0.155 0.000 3.014 10 L HA 0.503 4.843 4.340 -0.000 0.000 0.263 10 L C 0.366 177.206 176.870 -0.050 0.000 1.207 10 L CA 0.167 54.944 54.840 -0.105 0.000 1.017 10 L CB -0.454 41.527 42.059 -0.131 0.000 1.360 10 L HN 0.870 nan 8.230 nan 0.000 0.560 11 Y N 0.745 121.038 120.300 -0.011 0.000 2.130 11 Y HA -0.072 4.478 4.550 -0.000 0.000 0.287 11 Y C -0.191 175.703 175.900 -0.011 0.000 1.124 11 Y CA 0.983 59.077 58.100 -0.011 0.000 1.118 11 Y CB -1.112 37.342 38.460 -0.009 0.000 0.994 11 Y HN 0.250 nan 8.280 nan 0.000 0.497 12 P HA -0.278 nan 4.420 nan 0.000 0.212 12 P C 1.508 178.848 177.300 0.066 0.000 1.174 12 P CA 1.916 65.068 63.100 0.088 0.000 0.934 12 P CB -0.266 31.470 31.700 0.061 0.000 0.791 13 I N -0.163 120.436 120.570 0.049 0.000 2.181 13 I HA -0.316 3.854 4.170 -0.000 0.000 0.247 13 I C 2.466 178.602 176.117 0.032 0.000 1.081 13 I CA 1.941 63.260 61.300 0.030 0.000 1.340 13 I CB -0.918 37.090 38.000 0.013 0.000 1.036 13 I HN -0.040 nan 8.210 nan 0.000 0.417 14 A N -0.413 122.440 122.820 0.055 0.000 2.121 14 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 14 A C 2.386 179.996 177.584 0.043 0.000 1.154 14 A CA 1.239 53.309 52.037 0.055 0.000 0.679 14 A CB -0.495 18.568 19.000 0.106 0.000 0.795 14 A HN 0.316 nan 8.150 nan 0.000 0.458 15 V N -0.284 119.657 119.914 0.045 0.000 2.725 15 V HA -0.048 4.072 4.120 -0.000 0.000 0.247 15 V C 2.231 178.331 176.094 0.009 0.000 1.058 15 V CA 1.130 63.441 62.300 0.018 0.000 1.080 15 V CB -0.244 31.586 31.823 0.012 0.000 0.713 15 V HN 0.595 nan 8.190 nan 0.000 0.465 16 L N -0.323 120.910 121.223 0.016 0.000 2.131 16 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 16 L C 2.257 179.128 176.870 0.001 0.000 1.092 16 L CA 1.644 56.495 54.840 0.017 0.000 0.759 16 L CB -0.560 41.514 42.059 0.026 0.000 0.903 16 L HN 0.304 nan 8.230 nan 0.000 0.435 17 I N -0.271 120.289 120.570 -0.016 0.000 2.916 17 I HA -0.217 3.952 4.170 -0.000 0.000 0.267 17 I C 1.418 177.483 176.117 -0.086 0.000 1.263 17 I CA 0.964 62.227 61.300 -0.062 0.000 1.471 17 I CB -0.281 37.681 38.000 -0.062 0.000 1.089 17 I HN 0.217 nan 8.210 nan 0.000 0.468 18 D N 0.409 120.782 120.400 -0.044 0.000 2.389 18 D HA -0.012 4.628 4.640 -0.000 0.000 0.206 18 D C 1.494 177.784 176.300 -0.017 0.000 1.055 18 D CA 0.464 54.439 54.000 -0.042 0.000 0.856 18 D CB 0.341 41.124 40.800 -0.028 0.000 0.957 18 D HN 0.251 nan 8.370 nan 0.000 0.509 19 E N -0.122 120.079 120.200 0.002 0.000 2.465 19 E HA 0.124 4.474 4.350 -0.000 0.000 0.191 19 E C 1.340 177.979 176.600 0.066 0.000 1.053 19 E CA -0.048 56.369 56.400 0.028 0.000 0.869 19 E CB 0.563 30.280 29.700 0.028 0.000 0.977 19 E HN 0.309 nan 8.360 nan 0.000 0.483 20 L N 0.953 122.219 121.223 0.072 0.000 2.554 20 L HA 0.057 4.396 4.340 -0.000 0.000 0.226 20 L C 1.817 178.844 176.870 0.262 0.000 1.137 20 L CA 0.598 55.553 54.840 0.191 0.000 0.863 20 L CB -0.047 42.121 42.059 0.182 0.000 0.985 20 L HN 0.147 nan 8.230 nan 0.000 0.451 21 R N -2.372 118.211 120.500 0.139 0.000 2.569 21 R HA 0.100 4.440 4.340 -0.000 0.000 0.422 21 R C 0.743 177.068 176.300 0.042 0.000 0.980 21 R CA -0.104 56.058 56.100 0.104 0.000 1.164 21 R CB -0.651 29.727 30.300 0.130 0.000 1.520 21 R HN -0.064 nan 8.270 nan 0.000 0.567 22 N N 2.573 121.299 118.700 0.042 0.000 2.513 22 N HA -0.219 4.521 4.740 -0.000 0.000 0.187 22 N C 0.405 175.922 175.510 0.012 0.000 1.056 22 N CA 1.589 54.653 53.050 0.023 0.000 0.907 22 N CB 0.016 38.519 38.487 0.027 0.000 0.954 22 N HN 0.543 nan 8.380 nan 0.000 0.445 23 E N -1.444 118.759 120.200 0.006 0.000 3.680 23 E HA -0.266 4.084 4.350 -0.000 0.000 0.309 23 E C -1.034 175.567 176.600 0.002 0.000 0.793 23 E CA 1.048 57.444 56.400 -0.007 0.000 1.083 23 E CB -1.236 28.457 29.700 -0.013 0.000 1.548 23 E HN 0.478 nan 8.360 nan 0.000 0.456 24 D N -0.007 120.400 120.400 0.013 0.000 2.590 24 D HA 0.149 4.789 4.640 -0.000 0.000 0.280 24 D C 1.325 177.640 176.300 0.026 0.000 1.197 24 D CA 0.274 54.283 54.000 0.014 0.000 0.967 24 D CB 0.396 41.204 40.800 0.013 0.000 0.987 24 D HN 0.033 nan 8.370 nan 0.000 0.508 25 V N 2.080 122.011 119.914 0.028 0.000 2.329 25 V HA -0.401 3.719 4.120 -0.000 0.000 0.265 25 V C 2.447 178.569 176.094 0.046 0.000 1.119 25 V CA 2.441 64.768 62.300 0.045 0.000 1.110 25 V CB -0.949 30.896 31.823 0.036 0.000 0.735 25 V HN 0.476 nan 8.190 nan 0.000 0.455 26 Q N -0.647 119.172 119.800 0.032 0.000 2.170 26 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 26 Q C 1.902 177.921 176.000 0.033 0.000 0.976 26 Q CA 1.825 57.645 55.803 0.028 0.000 0.858 26 Q CB -0.263 28.486 28.738 0.020 0.000 0.907 26 Q HN 0.720 nan 8.270 nan 0.000 0.433 27 L N -1.044 120.201 121.223 0.036 0.000 2.130 27 L HA 0.033 4.373 4.340 -0.000 0.000 0.200 27 L C 2.433 179.338 176.870 0.059 0.000 1.075 27 L CA 0.632 55.496 54.840 0.039 0.000 0.768 27 L CB -0.303 41.776 42.059 0.032 0.000 0.933 27 L HN 0.108 nan 8.230 nan 0.000 0.451 28 R N -0.094 120.453 120.500 0.078 0.000 2.204 28 R HA -0.253 4.087 4.340 -0.000 0.000 0.253 28 R C 2.071 178.446 176.300 0.124 0.000 1.172 28 R CA 1.493 57.670 56.100 0.128 0.000 0.994 28 R CB -0.497 29.901 30.300 0.162 0.000 0.874 28 R HN 0.213 nan 8.270 nan 0.000 0.462 29 L N 1.287 122.561 121.223 0.084 0.000 1.937 29 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 29 L C 2.142 179.039 176.870 0.045 0.000 1.077 29 L CA 1.949 56.824 54.840 0.057 0.000 0.758 29 L CB -0.905 41.178 42.059 0.039 0.000 0.888 29 L HN 0.179 nan 8.230 nan 0.000 0.433 30 N N -0.616 118.107 118.700 0.039 0.000 2.106 30 N HA -0.301 4.439 4.740 -0.000 0.000 0.200 30 N C 1.720 177.255 175.510 0.041 0.000 1.014 30 N CA 2.513 55.584 53.050 0.034 0.000 0.891 30 N CB -0.295 38.211 38.487 0.031 0.000 1.069 30 N HN 0.545 nan 8.380 nan 0.000 0.490 31 S N 1.049 116.781 115.700 0.053 0.000 2.365 31 S HA -0.133 4.336 4.470 -0.000 0.000 0.221 31 S C 2.131 176.771 174.600 0.067 0.000 1.037 31 S CA 1.241 59.478 58.200 0.062 0.000 1.060 31 S CB -0.363 62.883 63.200 0.077 0.000 0.974 31 S HN 0.330 nan 8.310 nan 0.000 0.427 32 I N 1.783 122.395 120.570 0.069 0.000 2.248 32 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 32 I C 2.293 178.415 176.117 0.008 0.000 1.107 32 I CA 1.432 62.751 61.300 0.032 0.000 1.373 32 I CB -0.984 36.999 38.000 -0.028 0.000 1.055 32 I HN 0.307 nan 8.210 nan 0.000 0.418 33 K N 0.657 121.064 120.400 0.011 0.000 2.442 33 K HA -0.142 4.177 4.320 -0.000 0.000 0.198 33 K C 1.361 177.977 176.600 0.026 0.000 1.044 33 K CA 1.077 57.367 56.287 0.006 0.000 0.948 33 K CB 0.131 32.637 32.500 0.010 0.000 0.762 33 K HN 0.217 nan 8.250 nan 0.000 0.472 34 K N -0.119 120.309 120.400 0.046 0.000 2.438 34 K HA 0.062 4.382 4.320 -0.000 0.000 0.205 34 K C 0.767 177.429 176.600 0.103 0.000 1.033 34 K CA -0.181 56.145 56.287 0.064 0.000 1.089 34 K CB 0.469 32.999 32.500 0.051 0.000 0.857 34 K HN -0.029 nan 8.250 nan 0.000 0.522 35 L N 1.655 122.948 121.223 0.116 0.000 2.302 35 L HA -0.297 4.043 4.340 -0.000 0.000 0.218 35 L C 2.002 179.101 176.870 0.383 0.000 1.100 35 L CA 2.000 56.961 54.840 0.202 0.000 0.774 35 L CB -0.640 41.500 42.059 0.134 0.000 0.896 35 L HN 0.242 nan 8.230 nan 0.000 0.439 36 S N -2.292 113.617 115.700 0.349 0.000 2.345 36 S HA -0.185 4.284 4.470 -0.000 0.000 0.219 36 S C 2.005 176.639 174.600 0.056 0.000 1.031 36 S CA 1.257 59.633 58.200 0.293 0.000 0.984 36 S CB -1.147 62.218 63.200 0.275 0.000 0.874 36 S HN 0.624 nan 8.310 nan 0.000 0.451 37 T N -0.699 113.891 114.554 0.060 0.000 3.155 37 T HA 0.139 4.489 4.350 -0.000 0.000 0.264 37 T C 1.340 176.044 174.700 0.007 0.000 1.160 37 T CA 0.634 62.743 62.100 0.016 0.000 1.075 37 T CB -0.610 68.270 68.868 0.021 0.000 0.921 37 T HN 0.313 nan 8.240 nan 0.000 0.533 38 I N 1.096 121.684 120.570 0.029 0.000 2.731 38 I HA 0.382 4.552 4.170 -0.000 0.000 0.260 38 I C 2.707 178.811 176.117 -0.022 0.000 1.138 38 I CA 0.665 61.975 61.300 0.017 0.000 1.461 38 I CB -0.563 37.468 38.000 0.052 0.000 1.128 38 I HN 0.325 nan 8.210 nan 0.000 0.438 39 A N -0.190 122.594 122.820 -0.059 0.000 2.167 39 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 39 A C 2.018 179.494 177.584 -0.179 0.000 1.151 39 A CA 0.806 52.746 52.037 -0.162 0.000 0.735 39 A CB -0.485 18.275 19.000 -0.400 0.000 0.802 39 A HN 0.335 nan 8.150 nan 0.000 0.467 40 L N -0.249 120.891 121.223 -0.137 0.000 2.013 40 L HA 0.216 4.556 4.340 -0.000 0.000 0.204 40 L C 2.429 179.252 176.870 -0.078 0.000 1.081 40 L CA 2.282 57.055 54.840 -0.111 0.000 0.751 40 L CB -1.250 40.761 42.059 -0.080 0.000 0.901 40 L HN 0.225 nan 8.230 nan 0.000 0.440 41 A N -0.887 121.900 122.820 -0.056 0.000 2.225 41 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 41 A C 2.116 179.670 177.584 -0.049 0.000 1.164 41 A CA 1.579 53.589 52.037 -0.045 0.000 0.710 41 A CB -0.828 18.153 19.000 -0.031 0.000 0.780 41 A HN 0.531 nan 8.150 nan 0.000 0.473 42 L N -1.149 120.039 121.223 -0.059 0.000 2.062 42 L HA 0.350 4.690 4.340 -0.000 0.000 0.202 42 L C 1.221 178.052 176.870 -0.064 0.000 1.079 42 L CA 1.986 56.792 54.840 -0.057 0.000 0.755 42 L CB -0.231 41.793 42.059 -0.059 0.000 0.913 42 L HN 0.682 nan 8.230 nan 0.000 0.445 43 G N -1.315 107.436 108.800 -0.082 0.000 2.607 43 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.613 43 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.613 43 G C 0.381 175.225 174.900 -0.093 0.000 1.099 43 G CA 0.370 45.422 45.100 -0.080 0.000 1.280 43 G HN 0.686 nan 8.290 nan 0.000 0.573 44 V N 1.693 121.538 119.914 -0.115 0.000 2.477 44 V HA -0.462 3.658 4.120 -0.000 0.000 0.216 44 V C 2.371 178.379 176.094 -0.143 0.000 0.995 44 V CA 3.879 66.100 62.300 -0.132 0.000 1.088 44 V CB -0.830 30.926 31.823 -0.113 0.000 0.980 44 V HN 1.499 nan 8.190 nan 0.000 0.487 45 E N -1.061 119.056 120.200 -0.138 0.000 2.284 45 E HA -0.268 4.082 4.350 -0.000 0.000 0.200 45 E C 2.191 178.724 176.600 -0.112 0.000 1.008 45 E CA 1.863 58.173 56.400 -0.150 0.000 0.829 45 E CB -0.072 29.564 29.700 -0.105 0.000 0.744 45 E HN 0.740 nan 8.360 nan 0.000 0.491 46 R N -0.786 119.662 120.500 -0.087 0.000 2.048 46 R HA 0.016 4.355 4.340 -0.000 0.000 0.221 46 R C 2.484 178.753 176.300 -0.051 0.000 1.174 46 R CA 1.507 57.571 56.100 -0.060 0.000 0.971 46 R CB -1.073 29.195 30.300 -0.053 0.000 0.863 46 R HN 0.187 nan 8.270 nan 0.000 0.439 47 T N 2.088 116.604 114.554 -0.063 0.000 2.684 47 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 47 T C 1.865 176.559 174.700 -0.011 0.000 1.032 47 T CA 1.712 63.789 62.100 -0.040 0.000 1.155 47 T CB -0.233 68.571 68.868 -0.107 0.000 0.857 47 T HN 0.309 nan 8.240 nan 0.000 0.457 48 R N 0.953 121.415 120.500 -0.062 0.000 2.148 48 R HA 0.006 4.346 4.340 -0.000 0.000 0.223 48 R C 2.609 178.897 176.300 -0.019 0.000 1.088 48 R CA 1.559 57.625 56.100 -0.058 0.000 0.985 48 R CB -0.177 30.013 30.300 -0.183 0.000 0.880 48 R HN 0.557 nan 8.270 nan 0.000 0.451 49 S N -1.134 114.552 115.700 -0.023 0.000 2.559 49 S HA 0.187 4.657 4.470 -0.000 0.000 0.226 49 S C 1.040 175.655 174.600 0.025 0.000 1.000 49 S CA -0.404 57.797 58.200 0.001 0.000 0.948 49 S CB 0.632 63.823 63.200 -0.015 0.000 0.870 49 S HN 0.237 nan 8.310 nan 0.000 0.497 50 E N -0.211 120.010 120.200 0.034 0.000 2.684 50 E HA 0.244 4.594 4.350 -0.000 0.000 0.204 50 E C 1.224 177.886 176.600 0.104 0.000 0.900 50 E CA 0.027 56.459 56.400 0.052 0.000 1.481 50 E CB -0.124 29.584 29.700 0.013 0.000 1.468 50 E HN 0.266 nan 8.360 nan 0.000 0.778 51 L N 1.534 122.819 121.223 0.103 0.000 2.131 51 L HA 0.082 4.421 4.340 -0.000 0.000 0.206 51 L C 1.802 178.822 176.870 0.250 0.000 1.087 51 L CA 1.438 56.384 54.840 0.177 0.000 0.767 51 L CB -0.190 41.955 42.059 0.144 0.000 0.917 51 L HN 0.088 nan 8.230 nan 0.000 0.441 52 L N -0.262 121.068 121.223 0.178 0.000 2.095 52 L HA -0.013 4.327 4.340 -0.000 0.000 0.204 52 L C -0.336 176.612 176.870 0.130 0.000 1.080 52 L CA 0.807 55.739 54.840 0.153 0.000 0.759 52 L CB -1.768 40.367 42.059 0.127 0.000 0.914 52 L HN 0.203 nan 8.230 nan 0.000 0.439 53 P HA -0.156 nan 4.420 nan 0.000 0.239 53 P C 1.075 178.461 177.300 0.142 0.000 1.184 53 P CA 1.041 64.202 63.100 0.103 0.000 0.760 53 P CB -0.010 31.742 31.700 0.087 0.000 0.884 54 F N -0.283 119.698 119.950 0.051 0.000 2.274 54 F HA 0.104 4.631 4.527 -0.000 0.000 0.288 54 F C 1.654 177.508 175.800 0.089 0.000 1.069 54 F CA 0.827 58.864 58.000 0.062 0.000 1.343 54 F CB -0.639 38.400 39.000 0.065 0.000 1.089 54 F HN -0.322 nan 8.300 nan 0.000 0.517 55 L N 0.029 121.236 121.223 -0.028 0.000 2.275 55 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 55 L C 2.116 178.912 176.870 -0.122 0.000 1.119 55 L CA 1.362 56.119 54.840 -0.139 0.000 0.790 55 L CB -0.991 41.076 42.059 0.014 0.000 0.919 55 L HN 0.204 nan 8.230 nan 0.000 0.443 56 T N -1.253 113.263 114.554 -0.063 0.000 2.770 56 T HA -0.097 4.253 4.350 -0.000 0.000 0.258 56 T C 0.959 175.618 174.700 -0.067 0.000 1.039 56 T CA 1.018 63.092 62.100 -0.043 0.000 1.143 56 T CB -0.091 68.775 68.868 -0.003 0.000 0.866 56 T HN 0.254 nan 8.240 nan 0.000 0.428 57 D N 2.051 122.403 120.400 -0.081 0.000 2.519 57 D HA 0.142 4.782 4.640 -0.000 0.000 0.238 57 D C -0.362 175.852 176.300 -0.143 0.000 1.192 57 D CA 0.320 54.272 54.000 -0.080 0.000 0.835 57 D CB 0.026 40.806 40.800 -0.034 0.000 0.975 57 D HN 0.253 nan 8.370 nan 0.000 0.490 58 T N 1.109 115.550 114.554 -0.188 0.000 2.965 58 T HA 0.354 4.704 4.350 -0.000 0.000 0.306 58 T C 0.465 175.116 174.700 -0.081 0.000 0.991 58 T CA -0.562 61.399 62.100 -0.231 0.000 1.001 58 T CB 1.217 69.777 68.868 -0.514 0.000 0.984 58 T HN -0.016 nan 8.240 nan 0.000 0.446 59 I N 3.399 123.909 120.570 -0.101 0.000 2.363 59 I HA 0.328 4.497 4.170 -0.000 0.000 0.292 59 I C -0.359 175.720 176.117 -0.064 0.000 1.075 59 I CA -0.677 60.600 61.300 -0.038 0.000 1.333 59 I CB -0.057 37.905 38.000 -0.063 0.000 1.415 59 I HN 0.472 nan 8.210 nan 0.000 0.502 60 Y N 4.865 125.106 120.300 -0.098 0.000 2.335 60 Y HA 0.199 4.749 4.550 -0.000 0.000 0.323 60 Y C 0.990 176.852 175.900 -0.064 0.000 1.224 60 Y CA -0.203 57.853 58.100 -0.074 0.000 1.241 60 Y CB 0.912 39.331 38.460 -0.068 0.000 1.235 60 Y HN 0.553 nan 8.280 nan 0.000 0.492 61 D N 0.236 120.682 120.400 0.076 0.000 2.818 61 D HA 0.014 4.654 4.640 -0.000 0.000 0.250 61 D C -0.442 175.883 176.300 0.042 0.000 1.496 61 D CA 0.272 54.288 54.000 0.027 0.000 1.192 61 D CB -0.378 40.414 40.800 -0.012 0.000 0.963 61 D HN 0.587 nan 8.370 nan 0.000 0.259 62 E N 2.427 122.650 120.200 0.038 0.000 3.417 62 E HA -0.133 4.217 4.350 -0.000 0.000 0.279 62 E C 0.214 176.834 176.600 0.034 0.000 0.851 62 E CA 0.458 56.878 56.400 0.034 0.000 0.980 62 E CB 0.230 29.956 29.700 0.044 0.000 0.934 62 E HN 0.120 nan 8.360 nan 0.000 0.541 63 D N 2.888 123.296 120.400 0.013 0.000 2.084 63 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 63 D C 1.556 177.855 176.300 -0.002 0.000 0.985 63 D CA 1.501 55.502 54.000 0.001 0.000 0.826 63 D CB -0.204 40.593 40.800 -0.004 0.000 0.978 63 D HN 0.778 nan 8.370 nan 0.000 0.456 64 E N 0.505 120.706 120.200 0.003 0.000 2.169 64 E HA -0.214 4.135 4.350 -0.000 0.000 0.202 64 E C 1.968 178.563 176.600 -0.010 0.000 1.016 64 E CA 1.156 57.556 56.400 -0.001 0.000 0.817 64 E CB 0.086 29.790 29.700 0.007 0.000 0.736 64 E HN 0.020 nan 8.360 nan 0.000 0.462 65 V N 0.789 120.704 119.914 0.002 0.000 2.244 65 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 65 V C 2.461 178.501 176.094 -0.091 0.000 1.042 65 V CA 1.697 63.985 62.300 -0.019 0.000 1.006 65 V CB -0.467 31.395 31.823 0.064 0.000 0.641 65 V HN 0.378 nan 8.190 nan 0.000 0.446 66 L N -0.657 120.523 121.223 -0.072 0.000 2.089 66 L HA -0.268 4.072 4.340 -0.000 0.000 0.213 66 L C 2.491 179.300 176.870 -0.101 0.000 1.079 66 L CA 1.538 56.313 54.840 -0.108 0.000 0.758 66 L CB -0.621 41.408 42.059 -0.050 0.000 0.891 66 L HN 0.376 nan 8.230 nan 0.000 0.433 67 L N 0.060 121.243 121.223 -0.066 0.000 1.976 67 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 67 L C 2.692 179.518 176.870 -0.073 0.000 1.071 67 L CA 2.209 57.015 54.840 -0.056 0.000 0.746 67 L CB -0.856 41.183 42.059 -0.033 0.000 0.890 67 L HN 0.155 nan 8.230 nan 0.000 0.432 68 A N -0.583 122.192 122.820 -0.074 0.000 1.892 68 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 68 A C 2.274 179.783 177.584 -0.124 0.000 1.188 68 A CA 2.146 54.134 52.037 -0.081 0.000 0.631 68 A CB -1.223 17.740 19.000 -0.062 0.000 0.822 68 A HN 0.549 nan 8.150 nan 0.000 0.447 69 L N -0.092 121.027 121.223 -0.173 0.000 1.990 69 L HA -0.155 4.184 4.340 -0.000 0.000 0.213 69 L C 2.651 179.400 176.870 -0.203 0.000 1.072 69 L CA 2.556 57.261 54.840 -0.226 0.000 0.755 69 L CB -1.038 40.832 42.059 -0.314 0.000 0.889 69 L HN 0.370 nan 8.230 nan 0.000 0.432 70 A N -0.785 121.941 122.820 -0.157 0.000 1.892 70 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 70 A C 2.370 179.885 177.584 -0.116 0.000 1.188 70 A CA 2.043 54.006 52.037 -0.122 0.000 0.631 70 A CB -0.922 18.027 19.000 -0.086 0.000 0.822 70 A HN 0.678 nan 8.150 nan 0.000 0.447 71 E N -1.098 119.042 120.200 -0.100 0.000 2.150 71 E HA -0.261 4.088 4.350 -0.000 0.000 0.193 71 E C 2.130 178.662 176.600 -0.112 0.000 0.985 71 E CA 1.370 57.721 56.400 -0.082 0.000 0.814 71 E CB -0.062 29.604 29.700 -0.057 0.000 0.752 71 E HN 0.630 nan 8.360 nan 0.000 0.466 72 Q N 0.758 120.454 119.800 -0.172 0.000 1.990 72 Q HA -0.065 4.274 4.340 -0.000 0.000 0.200 72 Q C 2.244 177.979 176.000 -0.441 0.000 0.980 72 Q CA 1.354 56.998 55.803 -0.264 0.000 0.832 72 Q CB -0.385 28.163 28.738 -0.317 0.000 0.897 72 Q HN 0.339 nan 8.270 nan 0.000 0.427 73 L N -0.171 120.760 121.223 -0.486 0.000 2.369 73 L HA -0.204 4.136 4.340 -0.000 0.000 0.220 73 L C 1.883 178.631 176.870 -0.204 0.000 1.119 73 L CA 1.057 55.620 54.840 -0.461 0.000 0.780 73 L CB -0.673 41.226 42.059 -0.267 0.000 0.906 73 L HN 0.413 nan 8.230 nan 0.000 0.442 74 G N -1.345 107.381 108.800 -0.124 0.000 2.813 74 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.209 74 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.209 74 G C 1.357 176.272 174.900 0.026 0.000 1.150 74 G CA 0.873 45.957 45.100 -0.025 0.000 0.785 74 G HN 0.466 nan 8.290 nan 0.000 0.535 75 T N -3.211 111.376 114.554 0.056 0.000 3.044 75 T HA 0.247 4.597 4.350 -0.000 0.000 0.260 75 T C 1.259 176.149 174.700 0.317 0.000 1.019 75 T CA -0.416 61.774 62.100 0.150 0.000 0.921 75 T CB -0.184 68.765 68.868 0.135 0.000 1.053 75 T HN -0.038 nan 8.240 nan 0.000 0.533 76 F N 2.997 122.950 119.950 0.004 0.000 2.816 76 F HA 0.199 4.726 4.527 -0.000 0.000 0.302 76 F C 2.130 177.928 175.800 -0.002 0.000 1.178 76 F CA -0.844 57.157 58.000 0.002 0.000 1.421 76 F CB -1.269 37.736 39.000 0.008 0.000 1.114 76 F HN 0.204 nan 8.300 nan 0.000 0.573 77 T N -0.830 113.821 114.554 0.163 0.000 2.653 77 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 77 T C 2.094 176.814 174.700 0.033 0.000 1.035 77 T CA 2.320 64.460 62.100 0.067 0.000 1.154 77 T CB -0.387 68.506 68.868 0.041 0.000 0.862 77 T HN 0.244 nan 8.240 nan 0.000 0.441 78 T N 1.937 116.506 114.554 0.025 0.000 2.684 78 T HA 0.084 4.434 4.350 -0.000 0.000 0.253 78 T C 1.833 176.498 174.700 -0.058 0.000 1.057 78 T CA 0.617 62.710 62.100 -0.012 0.000 1.162 78 T CB -0.500 68.359 68.868 -0.015 0.000 0.868 78 T HN 0.084 nan 8.240 nan 0.000 0.409 79 L N 1.345 122.485 121.223 -0.138 0.000 2.450 79 L HA -0.014 4.326 4.340 -0.000 0.000 0.225 79 L C 2.138 178.861 176.870 -0.246 0.000 1.145 79 L CA 0.921 55.596 54.840 -0.275 0.000 0.801 79 L CB -0.857 40.849 42.059 -0.588 0.000 0.924 79 L HN 0.130 nan 8.230 nan 0.000 0.447 80 V N -1.126 118.713 119.914 -0.125 0.000 3.647 80 V HA 0.378 4.498 4.120 -0.000 0.000 0.279 80 V C 1.514 177.592 176.094 -0.027 0.000 1.314 80 V CA 0.892 63.154 62.300 -0.063 0.000 1.125 80 V CB 0.168 32.016 31.823 0.040 0.000 0.907 80 V HN 0.621 nan 8.190 nan 0.000 0.434 81 G N -1.091 107.712 108.800 0.006 0.000 2.205 81 G HA2 0.189 4.148 3.960 -0.000 0.000 0.180 81 G HA3 0.189 4.148 3.960 -0.000 0.000 0.180 81 G C 1.075 176.056 174.900 0.136 0.000 1.004 81 G CA 0.092 45.258 45.100 0.111 0.000 0.670 81 G HN 1.875 nan 8.290 nan 0.000 0.496 82 G N -0.522 108.310 108.800 0.055 0.000 2.757 82 G HA2 0.185 4.144 3.960 -0.000 0.000 0.638 82 G HA3 0.185 4.144 3.960 -0.000 0.000 0.638 82 G C -0.900 173.970 174.900 -0.049 0.000 1.344 82 G CA 0.163 45.265 45.100 0.003 0.000 0.855 82 G HN 0.577 nan 8.290 nan 0.000 0.537 83 P HA -0.157 nan 4.420 nan 0.000 0.219 83 P C 1.519 178.683 177.300 -0.228 0.000 1.151 83 P CA 1.984 64.996 63.100 -0.147 0.000 0.850 83 P CB 0.050 31.689 31.700 -0.103 0.000 0.784 84 E N -2.010 118.022 120.200 -0.280 0.000 2.153 84 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 84 E C 0.467 176.652 176.600 -0.692 0.000 0.988 84 E CA 0.967 57.074 56.400 -0.488 0.000 0.811 84 E CB -0.127 29.163 29.700 -0.685 0.000 0.746 84 E HN 0.417 nan 8.360 nan 0.000 0.466 85 Y N -1.694 118.419 120.300 -0.313 0.000 2.706 85 Y HA 0.165 4.715 4.550 -0.000 0.000 0.255 85 Y C 1.125 176.680 175.900 -0.575 0.000 1.163 85 Y CA -0.355 57.403 58.100 -0.571 0.000 1.174 85 Y CB 0.753 39.074 38.460 -0.230 0.000 1.200 85 Y HN -0.097 nan 8.280 nan 0.000 0.544 86 V N 0.846 120.525 119.914 -0.391 0.000 2.759 86 V HA -0.258 3.862 4.120 -0.000 0.000 0.256 86 V C 2.115 178.076 176.094 -0.222 0.000 1.080 86 V CA 2.126 64.260 62.300 -0.278 0.000 1.101 86 V CB -0.425 31.183 31.823 -0.358 0.000 0.698 86 V HN 0.742 nan 8.190 nan 0.000 0.477 87 H N -2.940 116.113 119.070 -0.028 0.000 2.568 87 H HA -0.068 4.488 4.556 -0.000 0.000 0.281 87 H C 1.908 177.383 175.328 0.246 0.000 1.028 87 H CA 1.134 57.353 56.048 0.285 0.000 1.199 87 H CB -1.608 28.458 29.762 0.508 0.000 1.352 87 H HN 0.427 nan 8.280 nan 0.000 0.605 88 C N -0.156 119.305 119.300 0.267 0.000 2.485 88 C HA 0.150 4.610 4.460 -0.000 0.000 0.277 88 C C 2.033 177.132 174.990 0.182 0.000 1.376 88 C CA -0.018 59.156 59.018 0.260 0.000 1.759 88 C CB -1.024 26.813 27.740 0.162 0.000 1.970 88 C HN 0.543 nan 8.230 nan 0.000 0.509 89 L N 0.352 121.677 121.223 0.171 0.000 2.478 89 L HA 0.077 4.417 4.340 -0.000 0.000 0.223 89 L C 2.058 179.009 176.870 0.134 0.000 1.140 89 L CA 1.136 56.061 54.840 0.142 0.000 0.842 89 L CB -0.774 41.367 42.059 0.136 0.000 0.953 89 L HN 0.316 nan 8.230 nan 0.000 0.452 90 L N -0.059 121.276 121.223 0.186 0.000 1.944 90 L HA -0.209 4.131 4.340 -0.000 0.000 0.218 90 L C 0.070 176.972 176.870 0.053 0.000 1.075 90 L CA 1.628 56.551 54.840 0.138 0.000 0.767 90 L CB -1.999 40.163 42.059 0.171 0.000 0.890 90 L HN 0.175 nan 8.230 nan 0.000 0.434 91 P HA -0.244 nan 4.420 nan 0.000 0.225 91 P C -1.484 175.811 177.300 -0.009 0.000 1.154 91 P CA 2.441 65.544 63.100 0.005 0.000 0.933 91 P CB -1.106 30.603 31.700 0.014 0.000 0.790 92 P HA -0.057 nan 4.420 nan 0.000 0.217 92 P C 1.711 178.986 177.300 -0.041 0.000 1.154 92 P CA 1.300 64.382 63.100 -0.030 0.000 0.841 92 P CB -0.386 31.294 31.700 -0.034 0.000 0.790 93 L N 0.249 121.455 121.223 -0.029 0.000 2.046 93 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 93 L C 2.890 179.737 176.870 -0.039 0.000 1.077 93 L CA 1.637 56.458 54.840 -0.032 0.000 0.747 93 L CB -1.104 40.954 42.059 -0.002 0.000 0.896 93 L HN 0.044 nan 8.230 nan 0.000 0.432 94 E N -0.234 119.942 120.200 -0.041 0.000 2.209 94 E HA -0.213 4.136 4.350 -0.000 0.000 0.196 94 E C 2.103 178.671 176.600 -0.053 0.000 0.993 94 E CA 1.375 57.739 56.400 -0.061 0.000 0.819 94 E CB 0.171 29.830 29.700 -0.068 0.000 0.745 94 E HN 0.390 nan 8.360 nan 0.000 0.477 95 S N 0.033 115.704 115.700 -0.048 0.000 2.388 95 S HA 0.041 4.511 4.470 -0.000 0.000 0.223 95 S C 1.811 176.380 174.600 -0.052 0.000 1.034 95 S CA 0.170 58.341 58.200 -0.049 0.000 0.963 95 S CB 0.012 63.184 63.200 -0.046 0.000 0.827 95 S HN 0.239 nan 8.310 nan 0.000 0.481 96 L N 1.404 122.595 121.223 -0.055 0.000 2.265 96 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 96 L C 2.499 179.342 176.870 -0.047 0.000 1.117 96 L CA 0.901 55.707 54.840 -0.057 0.000 0.782 96 L CB -0.448 41.571 42.059 -0.067 0.000 0.914 96 L HN 0.308 nan 8.230 nan 0.000 0.441 97 A N -0.934 121.861 122.820 -0.042 0.000 2.015 97 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 97 A C 2.308 179.874 177.584 -0.030 0.000 1.163 97 A CA 2.034 54.051 52.037 -0.032 0.000 0.646 97 A CB -0.559 18.418 19.000 -0.039 0.000 0.806 97 A HN 0.363 nan 8.150 nan 0.000 0.448 98 T N -0.235 114.293 114.554 -0.043 0.000 2.978 98 T HA 0.106 4.456 4.350 -0.000 0.000 0.262 98 T C 0.808 175.458 174.700 -0.083 0.000 1.063 98 T CA 0.450 62.518 62.100 -0.053 0.000 1.140 98 T CB -0.454 68.380 68.868 -0.057 0.000 0.886 98 T HN 0.147 nan 8.240 nan 0.000 0.470 99 V N 2.871 122.739 119.914 -0.078 0.000 2.992 99 V HA -0.145 3.975 4.120 -0.000 0.000 0.294 99 V C 1.529 177.560 176.094 -0.105 0.000 1.254 99 V CA 0.564 62.809 62.300 -0.090 0.000 1.359 99 V CB 0.185 31.970 31.823 -0.064 0.000 0.914 99 V HN 0.479 nan 8.190 nan 0.000 0.519 100 E N 1.705 121.825 120.200 -0.133 0.000 1.999 100 E HA -0.115 4.234 4.350 -0.000 0.000 0.194 100 E C 0.969 177.530 176.600 -0.065 0.000 0.995 100 E CA 0.478 56.793 56.400 -0.141 0.000 0.825 100 E CB -0.080 29.519 29.700 -0.168 0.000 0.777 100 E HN 0.721 nan 8.360 nan 0.000 0.459 101 E N 1.900 122.073 120.200 -0.046 0.000 2.729 101 E HA -0.107 4.243 4.350 -0.000 0.000 0.246 101 E C 0.930 177.528 176.600 -0.002 0.000 0.984 101 E CA 0.383 56.774 56.400 -0.015 0.000 0.951 101 E CB 0.659 30.350 29.700 -0.015 0.000 0.914 101 E HN 0.353 nan 8.360 nan 0.000 0.509 102 T N 1.217 115.785 114.554 0.022 0.000 2.544 102 T HA -0.250 4.100 4.350 -0.000 0.000 0.264 102 T C 1.957 176.670 174.700 0.022 0.000 1.096 102 T CA 1.670 63.791 62.100 0.035 0.000 1.181 102 T CB -0.726 68.177 68.868 0.059 0.000 0.864 102 T HN 0.267 nan 8.240 nan 0.000 0.415 103 V N 1.676 121.601 119.914 0.019 0.000 2.242 103 V HA -0.266 3.854 4.120 -0.000 0.000 0.257 103 V C 2.924 179.019 176.094 0.001 0.000 1.073 103 V CA 2.311 64.618 62.300 0.011 0.000 1.058 103 V CB -1.308 30.519 31.823 0.007 0.000 0.664 103 V HN 0.494 nan 8.190 nan 0.000 0.451 104 V N 0.900 120.809 119.914 -0.008 0.000 2.231 104 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 104 V C 2.673 178.755 176.094 -0.019 0.000 1.054 104 V CA 2.884 65.171 62.300 -0.022 0.000 1.015 104 V CB -0.855 30.950 31.823 -0.030 0.000 0.638 104 V HN 0.791 nan 8.190 nan 0.000 0.444 105 R N -0.159 120.333 120.500 -0.013 0.000 2.237 105 R HA -0.128 4.212 4.340 -0.000 0.000 0.219 105 R C 1.641 177.946 176.300 0.009 0.000 1.080 105 R CA 1.787 57.883 56.100 -0.007 0.000 0.995 105 R CB -0.538 29.759 30.300 -0.004 0.000 0.875 105 R HN 0.426 nan 8.270 nan 0.000 0.462 106 D N 0.975 121.384 120.400 0.015 0.000 2.123 106 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 106 D C 1.513 177.823 176.300 0.016 0.000 0.976 106 D CA 0.924 54.939 54.000 0.025 0.000 0.831 106 D CB 0.041 40.858 40.800 0.028 0.000 0.974 106 D HN 0.097 nan 8.370 nan 0.000 0.469 107 K N 0.824 121.226 120.400 0.002 0.000 2.097 107 K HA 0.039 4.359 4.320 -0.000 0.000 0.205 107 K C 1.963 178.557 176.600 -0.011 0.000 1.050 107 K CA 0.626 56.909 56.287 -0.007 0.000 0.938 107 K CB -0.290 32.198 32.500 -0.019 0.000 0.718 107 K HN 0.008 nan 8.250 nan 0.000 0.442 108 A N 0.801 123.611 122.820 -0.015 0.000 1.978 108 A HA -0.139 4.180 4.320 -0.000 0.000 0.220 108 A C 2.424 180.009 177.584 0.002 0.000 1.170 108 A CA 1.674 53.700 52.037 -0.018 0.000 0.636 108 A CB -0.518 18.466 19.000 -0.026 0.000 0.810 108 A HN 0.086 nan 8.150 nan 0.000 0.448 109 V N -0.406 119.516 119.914 0.014 0.000 2.346 109 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 109 V C 2.450 178.569 176.094 0.042 0.000 1.037 109 V CA 1.961 64.281 62.300 0.033 0.000 1.029 109 V CB -0.573 31.275 31.823 0.042 0.000 0.663 109 V HN 0.764 nan 8.190 nan 0.000 0.454 110 E N -0.016 120.200 120.200 0.027 0.000 2.187 110 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 110 E C 2.247 178.855 176.600 0.013 0.000 1.004 110 E CA 1.790 58.201 56.400 0.018 0.000 0.813 110 E CB -0.020 29.684 29.700 0.007 0.000 0.736 110 E HN 0.589 nan 8.360 nan 0.000 0.468 111 S N 0.283 115.993 115.700 0.016 0.000 2.348 111 S HA -0.034 4.436 4.470 -0.000 0.000 0.219 111 S C 1.948 176.590 174.600 0.070 0.000 1.033 111 S CA 0.606 58.819 58.200 0.022 0.000 0.974 111 S CB -0.186 63.016 63.200 0.003 0.000 0.868 111 S HN 0.273 nan 8.310 nan 0.000 0.459 112 L N 1.283 122.573 121.223 0.112 0.000 2.081 112 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 112 L C 2.694 179.721 176.870 0.262 0.000 1.080 112 L CA 1.398 56.387 54.840 0.247 0.000 0.754 112 L CB -0.540 41.645 42.059 0.211 0.000 0.893 112 L HN 0.285 nan 8.230 nan 0.000 0.433 113 R N -0.260 120.326 120.500 0.142 0.000 2.062 113 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 113 R C 2.483 178.721 176.300 -0.105 0.000 1.136 113 R CA 1.311 57.446 56.100 0.058 0.000 0.948 113 R CB -0.587 29.735 30.300 0.036 0.000 0.845 113 R HN 0.343 nan 8.270 nan 0.000 0.430 114 A N 2.198 124.955 122.820 -0.104 0.000 1.873 114 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 114 A C 2.230 179.759 177.584 -0.090 0.000 1.193 114 A CA 1.925 53.864 52.037 -0.163 0.000 0.629 114 A CB -0.823 18.133 19.000 -0.073 0.000 0.826 114 A HN 0.537 nan 8.150 nan 0.000 0.447 115 I N -1.187 119.401 120.570 0.030 0.000 3.111 115 I HA -0.068 4.102 4.170 -0.000 0.000 0.272 115 I C 2.130 178.372 176.117 0.208 0.000 1.268 115 I CA 1.578 62.943 61.300 0.109 0.000 1.467 115 I CB -0.326 37.774 38.000 0.168 0.000 1.087 115 I HN 0.368 nan 8.210 nan 0.000 0.467 116 S N 1.391 117.125 115.700 0.057 0.000 2.368 116 S HA -0.274 4.196 4.470 -0.000 0.000 0.225 116 S C 1.902 176.518 174.600 0.027 0.000 1.030 116 S CA 1.480 59.504 58.200 -0.293 0.000 0.999 116 S CB -0.913 61.830 63.200 -0.763 0.000 0.844 116 S HN 0.605 nan 8.310 nan 0.000 0.459 117 H N 1.821 120.832 119.070 -0.097 0.000 2.518 117 H HA 0.141 4.696 4.556 -0.000 0.000 0.292 117 H C 1.904 177.219 175.328 -0.022 0.000 1.068 117 H CA 1.422 57.435 56.048 -0.059 0.000 1.275 117 H CB -0.215 29.526 29.762 -0.035 0.000 1.375 117 H HN 0.573 nan 8.280 nan 0.000 0.563 118 E N -0.078 120.204 120.200 0.136 0.000 2.474 118 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 118 E C 0.073 176.648 176.600 -0.042 0.000 1.041 118 E CA 0.029 56.444 56.400 0.026 0.000 0.874 118 E CB 0.228 29.917 29.700 -0.019 0.000 0.914 118 E HN 0.636 nan 8.360 nan 0.000 0.498 119 H N 1.245 120.281 119.070 -0.056 0.000 2.652 119 H HA 0.128 4.684 4.556 -0.000 0.000 0.349 119 H C 0.636 175.928 175.328 -0.060 0.000 1.099 119 H CA -0.025 55.996 56.048 -0.046 0.000 1.417 119 H CB 1.042 30.765 29.762 -0.064 0.000 1.457 119 H HN -0.020 nan 8.280 nan 0.000 0.568 120 S N 3.444 119.174 115.700 0.050 0.000 2.565 120 S HA 0.062 4.532 4.470 -0.000 0.000 0.274 120 S C -1.511 173.093 174.600 0.006 0.000 1.309 120 S CA -1.346 56.855 58.200 0.002 0.000 1.043 120 S CB 1.768 64.954 63.200 -0.024 0.000 0.939 120 S HN 0.480 nan 8.310 nan 0.000 0.504 121 P HA -0.192 nan 4.420 nan 0.000 0.218 121 P C 1.332 178.615 177.300 -0.028 0.000 1.152 121 P CA 1.517 64.598 63.100 -0.032 0.000 0.857 121 P CB -0.193 31.481 31.700 -0.044 0.000 0.787 122 S N -0.156 115.525 115.700 -0.033 0.000 2.356 122 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 122 S C 1.713 176.272 174.600 -0.069 0.000 1.032 122 S CA 1.572 59.744 58.200 -0.047 0.000 1.005 122 S CB -0.911 62.259 63.200 -0.049 0.000 0.867 122 S HN 0.235 nan 8.310 nan 0.000 0.449 123 D N 1.428 121.794 120.400 -0.056 0.000 2.084 123 D HA -0.028 4.612 4.640 -0.000 0.000 0.194 123 D C 2.072 178.368 176.300 -0.007 0.000 0.990 123 D CA 0.645 54.588 54.000 -0.096 0.000 0.826 123 D CB -0.533 40.313 40.800 0.077 0.000 0.971 123 D HN 0.220 nan 8.370 nan 0.000 0.453 124 L N 1.144 122.407 121.223 0.066 0.000 1.997 124 L HA -0.292 4.047 4.340 -0.000 0.000 0.227 124 L C 2.422 179.326 176.870 0.058 0.000 1.087 124 L CA 1.725 56.598 54.840 0.055 0.000 0.797 124 L CB -0.513 41.538 42.059 -0.014 0.000 0.902 124 L HN 0.119 nan 8.230 nan 0.000 0.441 125 E N -0.872 119.334 120.200 0.011 0.000 2.171 125 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 125 E C 1.952 178.558 176.600 0.010 0.000 0.997 125 E CA 1.244 57.646 56.400 0.005 0.000 0.810 125 E CB -0.130 29.562 29.700 -0.014 0.000 0.738 125 E HN 0.595 nan 8.360 nan 0.000 0.467 126 A N -0.471 122.341 122.820 -0.014 0.000 2.044 126 A HA 0.010 4.330 4.320 -0.000 0.000 0.213 126 A C 1.381 179.078 177.584 0.188 0.000 1.169 126 A CA 0.708 52.746 52.037 0.002 0.000 0.724 126 A CB -0.060 18.858 19.000 -0.138 0.000 0.840 126 A HN 0.243 nan 8.150 nan 0.000 0.463 127 H N -4.225 114.879 119.070 0.057 0.000 2.545 127 H HA 0.220 4.776 4.556 -0.000 0.000 0.251 127 H C 1.668 177.027 175.328 0.052 0.000 0.934 127 H CA 0.299 56.384 56.048 0.062 0.000 1.116 127 H CB 0.158 29.996 29.762 0.126 0.000 1.439 127 H HN 0.401 nan 8.280 nan 0.000 0.445 128 F N 1.654 121.625 119.950 0.034 0.000 2.128 128 F HA -0.126 4.401 4.527 -0.000 0.000 0.295 128 F C 2.159 177.877 175.800 -0.138 0.000 1.100 128 F CA 0.854 58.769 58.000 -0.143 0.000 1.260 128 F CB -0.284 38.479 39.000 -0.394 0.000 1.009 128 F HN -0.154 nan 8.300 nan 0.000 0.476 129 V N 1.329 121.271 119.914 0.047 0.000 2.233 129 V HA -0.252 3.867 4.120 -0.000 0.000 0.247 129 V C -0.388 175.576 176.094 -0.216 0.000 1.050 129 V CA 2.533 64.782 62.300 -0.086 0.000 1.010 129 V CB -1.502 30.310 31.823 -0.019 0.000 0.637 129 V HN 0.178 nan 8.190 nan 0.000 0.444 130 P HA -0.234 nan 4.420 nan 0.000 0.218 130 P C 1.928 179.112 177.300 -0.193 0.000 1.154 130 P CA 1.773 64.793 63.100 -0.134 0.000 0.872 130 P CB -0.097 31.575 31.700 -0.048 0.000 0.790 131 L N -1.163 119.909 121.223 -0.252 0.000 2.093 131 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 131 L C 2.002 178.666 176.870 -0.343 0.000 1.085 131 L CA 1.514 56.179 54.840 -0.291 0.000 0.755 131 L CB -0.554 41.279 42.059 -0.376 0.000 0.904 131 L HN -0.153 nan 8.230 nan 0.000 0.435 132 V N 0.177 119.810 119.914 -0.469 0.000 2.358 132 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 132 V C 2.540 178.407 176.094 -0.378 0.000 1.047 132 V CA 1.921 63.934 62.300 -0.478 0.000 1.035 132 V CB -0.558 30.886 31.823 -0.632 0.000 0.658 132 V HN 0.437 nan 8.190 nan 0.000 0.452 133 K N -0.205 119.950 120.400 -0.408 0.000 2.032 133 K HA -0.165 4.154 4.320 -0.000 0.000 0.209 133 K C 2.416 178.925 176.600 -0.151 0.000 1.048 133 K CA 1.467 57.468 56.287 -0.475 0.000 0.927 133 K CB -0.245 31.944 32.500 -0.517 0.000 0.712 133 K HN 0.339 nan 8.250 nan 0.000 0.441 134 R N 0.604 121.033 120.500 -0.118 0.000 2.115 134 R HA -0.031 4.308 4.340 -0.000 0.000 0.230 134 R C 2.305 178.598 176.300 -0.012 0.000 1.111 134 R CA 0.887 56.965 56.100 -0.035 0.000 0.976 134 R CB -0.155 30.113 30.300 -0.053 0.000 0.870 134 R HN 0.188 nan 8.270 nan 0.000 0.445 135 L N -0.376 120.815 121.223 -0.054 0.000 2.131 135 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 135 L C 2.503 179.403 176.870 0.051 0.000 1.087 135 L CA 0.820 55.649 54.840 -0.018 0.000 0.767 135 L CB -0.351 41.669 42.059 -0.066 0.000 0.917 135 L HN 0.211 nan 8.230 nan 0.000 0.441 136 A N -0.086 122.781 122.820 0.079 0.000 1.969 136 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 136 A C 2.102 179.809 177.584 0.204 0.000 1.169 136 A CA 1.505 53.663 52.037 0.202 0.000 0.635 136 A CB -0.815 18.400 19.000 0.358 0.000 0.810 136 A HN 0.422 nan 8.150 nan 0.000 0.445 137 G N -0.245 108.673 108.800 0.196 0.000 3.233 137 G HA2 0.393 4.353 3.960 -0.000 0.000 0.227 137 G HA3 0.393 4.353 3.960 -0.000 0.000 0.227 137 G C 0.717 175.676 174.900 0.098 0.000 1.175 137 G CA 0.368 45.564 45.100 0.159 0.000 0.781 137 G HN 0.698 nan 8.290 nan 0.000 0.542 138 G N 0.219 109.074 108.800 0.092 0.000 2.353 138 G HA2 0.208 4.168 3.960 -0.000 0.000 0.239 138 G HA3 0.208 4.168 3.960 -0.000 0.000 0.239 138 G C 0.481 175.432 174.900 0.084 0.000 1.295 138 G CA -0.217 44.934 45.100 0.085 0.000 0.884 138 G HN 0.068 nan 8.290 nan 0.000 0.537 139 D N 1.157 121.613 120.400 0.094 0.000 2.158 139 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 139 D C 0.288 176.599 176.300 0.018 0.000 0.995 139 D CA 0.964 55.009 54.000 0.074 0.000 0.846 139 D CB 0.100 40.981 40.800 0.135 0.000 0.941 139 D HN 0.498 nan 8.370 nan 0.000 0.456 140 W N 0.477 121.764 121.300 -0.022 0.000 2.433 140 W HA 0.213 4.872 4.660 -0.000 0.000 0.315 140 W C 0.927 177.410 176.519 -0.060 0.000 1.087 140 W CA -1.205 56.098 57.345 -0.070 0.000 1.205 140 W CB 0.475 29.836 29.460 -0.165 0.000 1.288 140 W HN -0.118 nan 8.180 nan 0.000 0.504 141 F N 1.252 121.201 119.950 -0.002 0.000 2.115 141 F HA -0.335 4.192 4.527 -0.000 0.000 0.300 141 F C 2.020 177.893 175.800 0.122 0.000 1.092 141 F CA 2.193 60.209 58.000 0.027 0.000 1.245 141 F CB -1.861 37.106 39.000 -0.054 0.000 0.995 141 F HN 0.307 nan 8.300 nan 0.000 0.481 142 T N -1.305 113.112 114.554 -0.228 0.000 2.597 142 T HA -0.317 4.033 4.350 -0.000 0.000 0.267 142 T C 1.975 176.726 174.700 0.085 0.000 1.053 142 T CA 2.227 64.301 62.100 -0.043 0.000 1.165 142 T CB -1.423 67.338 68.868 -0.178 0.000 0.863 142 T HN 0.476 nan 8.240 nan 0.000 0.427 143 S N 2.091 117.829 115.700 0.064 0.000 2.369 143 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 143 S C 2.243 176.903 174.600 0.099 0.000 1.043 143 S CA 1.746 59.985 58.200 0.065 0.000 1.074 143 S CB -0.483 62.756 63.200 0.065 0.000 0.962 143 S HN 0.561 nan 8.310 nan 0.000 0.433 144 R N 0.689 121.268 120.500 0.133 0.000 2.091 144 R HA -0.064 4.276 4.340 -0.000 0.000 0.238 144 R C 2.656 179.053 176.300 0.162 0.000 1.136 144 R CA 1.717 57.905 56.100 0.147 0.000 0.959 144 R CB -1.035 29.349 30.300 0.140 0.000 0.856 144 R HN 0.344 nan 8.270 nan 0.000 0.437 145 T N 0.396 115.068 114.554 0.197 0.000 2.555 145 T HA -0.204 4.146 4.350 -0.000 0.000 0.264 145 T C 1.927 176.720 174.700 0.154 0.000 1.083 145 T CA 1.965 64.178 62.100 0.187 0.000 1.179 145 T CB -0.350 68.667 68.868 0.249 0.000 0.863 145 T HN 0.260 nan 8.240 nan 0.000 0.412 146 S N 1.564 117.341 115.700 0.128 0.000 2.404 146 S HA -0.270 4.199 4.470 -0.000 0.000 0.230 146 S C 2.462 177.131 174.600 0.116 0.000 1.046 146 S CA 1.551 59.809 58.200 0.098 0.000 1.135 146 S CB -1.172 62.060 63.200 0.054 0.000 1.056 146 S HN 0.664 nan 8.310 nan 0.000 0.426 147 A N 0.929 123.810 122.820 0.101 0.000 1.942 147 A HA -0.379 3.941 4.320 -0.000 0.000 0.227 147 A C 2.451 180.215 177.584 0.301 0.000 1.445 147 A CA 2.394 54.497 52.037 0.111 0.000 0.704 147 A CB -2.003 17.094 19.000 0.162 0.000 0.841 147 A HN 0.692 nan 8.150 nan 0.000 0.495 148 C N -1.482 118.065 119.300 0.411 0.000 2.363 148 C HA -0.115 4.345 4.460 -0.000 0.000 0.274 148 C C 2.879 178.135 174.990 0.442 0.000 1.183 148 C CA 0.953 60.293 59.018 0.536 0.000 1.771 148 C CB -1.969 25.960 27.740 0.314 0.000 2.059 148 C HN 0.815 nan 8.230 nan 0.000 0.455 149 G N -0.276 108.677 108.800 0.255 0.000 2.653 149 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.212 149 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.212 149 G C 1.279 176.279 174.900 0.167 0.000 1.138 149 G CA 0.417 45.629 45.100 0.188 0.000 0.782 149 G HN 0.634 nan 8.290 nan 0.000 0.535 150 L N -1.357 119.949 121.223 0.139 0.000 2.590 150 L HA 0.303 4.643 4.340 -0.000 0.000 0.227 150 L C 2.009 178.874 176.870 -0.008 0.000 1.099 150 L CA -0.271 54.593 54.840 0.039 0.000 0.872 150 L CB -0.099 41.880 42.059 -0.133 0.000 1.088 150 L HN 0.061 nan 8.230 nan 0.000 0.479 151 F N 0.261 120.196 119.950 -0.025 0.000 2.113 151 F HA -0.190 4.336 4.527 -0.000 0.000 0.297 151 F C 2.962 178.843 175.800 0.135 0.000 1.103 151 F CA 1.584 59.542 58.000 -0.070 0.000 1.248 151 F CB -0.936 37.655 39.000 -0.681 0.000 0.999 151 F HN 0.004 nan 8.300 nan 0.000 0.475 152 S N 0.522 116.412 115.700 0.318 0.000 2.400 152 S HA -0.212 4.257 4.470 -0.000 0.000 0.234 152 S C 2.025 176.756 174.600 0.217 0.000 1.049 152 S CA 2.044 60.405 58.200 0.268 0.000 1.039 152 S CB -0.759 62.552 63.200 0.184 0.000 0.856 152 S HN 0.247 nan 8.310 nan 0.000 0.465 153 V N -0.264 119.770 119.914 0.200 0.000 3.541 153 V HA 0.153 4.272 4.120 -0.000 0.000 0.267 153 V C 1.976 178.103 176.094 0.055 0.000 1.213 153 V CA 0.710 63.096 62.300 0.143 0.000 1.149 153 V CB -1.018 30.914 31.823 0.182 0.000 0.822 153 V HN 0.852 nan 8.190 nan 0.000 0.462 154 C N -3.428 115.952 119.300 0.132 0.000 3.123 154 C HA 0.346 4.806 4.460 -0.000 0.000 0.399 154 C C 2.275 177.332 174.990 0.112 0.000 1.320 154 C CA 0.112 59.172 59.018 0.070 0.000 1.949 154 C CB -1.141 26.692 27.740 0.156 0.000 2.692 154 C HN 0.470 nan 8.230 nan 0.000 0.623 155 Y N 3.937 124.303 120.300 0.111 0.000 2.014 155 Y HA -0.104 4.446 4.550 -0.000 0.000 0.272 155 Y C -0.521 175.404 175.900 0.042 0.000 1.164 155 Y CA 2.707 60.882 58.100 0.125 0.000 1.114 155 Y CB -1.657 36.930 38.460 0.211 0.000 0.961 155 Y HN 0.186 nan 8.280 nan 0.000 0.489 156 P HA -0.200 nan 4.420 nan 0.000 0.218 156 P C 0.778 178.019 177.300 -0.097 0.000 1.146 156 P CA 2.444 65.536 63.100 -0.013 0.000 0.820 156 P CB -0.052 31.656 31.700 0.013 0.000 0.778 157 R N -1.477 118.963 120.500 -0.099 0.000 2.404 157 R HA 0.154 4.494 4.340 -0.000 0.000 0.237 157 R C 0.906 177.144 176.300 -0.103 0.000 0.907 157 R CA -0.029 56.011 56.100 -0.100 0.000 1.063 157 R CB 0.099 30.343 30.300 -0.094 0.000 1.134 157 R HN 0.176 nan 8.270 nan 0.000 0.529 158 V N -0.574 119.263 119.914 -0.128 0.000 3.653 158 V HA 0.334 4.453 4.120 -0.000 0.000 0.282 158 V C 0.635 176.651 176.094 -0.129 0.000 0.993 158 V CA -0.887 61.350 62.300 -0.106 0.000 0.986 158 V CB 1.290 33.061 31.823 -0.086 0.000 1.249 158 V HN 0.163 nan 8.190 nan 0.000 0.423 159 S N -0.406 115.238 115.700 -0.093 0.000 2.672 159 S HA 0.315 4.785 4.470 -0.000 0.000 0.276 159 S C 1.128 175.674 174.600 -0.089 0.000 1.207 159 S CA 0.055 58.207 58.200 -0.080 0.000 1.002 159 S CB 1.034 64.207 63.200 -0.044 0.000 0.998 159 S HN 1.070 nan 8.310 nan 0.000 0.542 160 S N 1.682 117.341 115.700 -0.068 0.000 2.389 160 S HA -0.239 4.231 4.470 -0.000 0.000 0.231 160 S C 2.128 176.722 174.600 -0.010 0.000 1.052 160 S CA 1.471 59.644 58.200 -0.045 0.000 1.053 160 S CB -1.303 61.885 63.200 -0.021 0.000 0.886 160 S HN 0.995 nan 8.310 nan 0.000 0.456 161 A N 1.210 124.030 122.820 -0.000 0.000 1.858 161 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 161 A C 2.426 180.038 177.584 0.046 0.000 1.190 161 A CA 1.707 53.760 52.037 0.027 0.000 0.617 161 A CB -0.969 18.044 19.000 0.022 0.000 0.827 161 A HN 0.371 nan 8.150 nan 0.000 0.443 162 V N 0.161 120.088 119.914 0.023 0.000 2.453 162 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 162 V C 2.386 178.526 176.094 0.077 0.000 1.048 162 V CA 2.135 64.462 62.300 0.045 0.000 1.049 162 V CB -0.645 31.184 31.823 0.010 0.000 0.672 162 V HN 0.529 nan 8.190 nan 0.000 0.457 163 K N 0.447 120.833 120.400 -0.024 0.000 2.103 163 K HA -0.182 4.137 4.320 -0.000 0.000 0.207 163 K C 2.265 179.083 176.600 0.363 0.000 1.048 163 K CA 1.583 57.840 56.287 -0.052 0.000 0.930 163 K CB -0.387 31.843 32.500 -0.450 0.000 0.716 163 K HN 0.491 nan 8.250 nan 0.000 0.444 164 A N 1.707 124.660 122.820 0.222 0.000 1.930 164 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 164 A C 1.865 179.607 177.584 0.263 0.000 1.175 164 A CA 1.336 53.513 52.037 0.234 0.000 0.627 164 A CB -0.281 18.808 19.000 0.148 0.000 0.815 164 A HN 0.320 nan 8.150 nan 0.000 0.443 165 E N 0.073 120.423 120.200 0.251 0.000 2.072 165 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 165 E C 1.942 178.802 176.600 0.433 0.000 0.985 165 E CA 1.068 57.650 56.400 0.303 0.000 0.801 165 E CB -0.357 29.489 29.700 0.242 0.000 0.750 165 E HN 0.601 nan 8.360 nan 0.000 0.452 166 L N 0.915 122.391 121.223 0.421 0.000 2.017 166 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 166 L C 2.653 179.869 176.870 0.576 0.000 1.073 166 L CA 1.277 56.443 54.840 0.542 0.000 0.745 166 L CB -0.415 42.024 42.059 0.634 0.000 0.894 166 L HN 0.079 nan 8.230 nan 0.000 0.432 167 R N -0.440 120.380 120.500 0.533 0.000 2.127 167 R HA -0.240 4.100 4.340 -0.000 0.000 0.238 167 R C 2.224 178.712 176.300 0.313 0.000 1.134 167 R CA 1.547 57.911 56.100 0.440 0.000 0.975 167 R CB -0.348 30.167 30.300 0.358 0.000 0.865 167 R HN 0.339 nan 8.270 nan 0.000 0.447 168 Q N 0.305 120.279 119.800 0.291 0.000 1.990 168 Q HA -0.156 4.183 4.340 -0.000 0.000 0.200 168 Q C 1.627 177.719 176.000 0.153 0.000 0.980 168 Q CA 1.674 57.581 55.803 0.173 0.000 0.832 168 Q CB -0.427 28.390 28.738 0.132 0.000 0.897 168 Q HN 0.334 nan 8.270 nan 0.000 0.427 169 Y N -0.830 119.570 120.300 0.167 0.000 2.241 169 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 169 Y C 1.871 177.817 175.900 0.076 0.000 1.166 169 Y CA 1.489 59.699 58.100 0.183 0.000 1.203 169 Y CB -0.220 38.441 38.460 0.336 0.000 0.977 169 Y HN 0.259 nan 8.280 nan 0.000 0.529 170 F N 0.044 119.915 119.950 -0.131 0.000 2.293 170 F HA -0.013 4.514 4.527 -0.000 0.000 0.297 170 F C 2.455 178.056 175.800 -0.332 0.000 1.089 170 F CA 1.028 58.615 58.000 -0.688 0.000 1.377 170 F CB -0.286 37.919 39.000 -1.325 0.000 1.051 170 F HN -0.185 nan 8.300 nan 0.000 0.511 171 R N 0.185 120.593 120.500 -0.153 0.000 2.092 171 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 171 R C 2.008 178.181 176.300 -0.212 0.000 1.119 171 R CA 1.294 57.292 56.100 -0.170 0.000 0.970 171 R CB -0.280 30.003 30.300 -0.029 0.000 0.864 171 R HN 0.235 nan 8.270 nan 0.000 0.440 172 N N 0.844 119.451 118.700 -0.155 0.000 2.104 172 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 172 N C 1.798 177.209 175.510 -0.166 0.000 1.024 172 N CA 1.178 54.147 53.050 -0.136 0.000 0.853 172 N CB -0.183 38.237 38.487 -0.110 0.000 1.008 172 N HN 0.266 nan 8.380 nan 0.000 0.424 173 L N 0.183 121.265 121.223 -0.235 0.000 2.201 173 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 173 L C 2.197 178.876 176.870 -0.318 0.000 1.105 173 L CA 0.555 55.246 54.840 -0.248 0.000 0.775 173 L CB -0.234 41.648 42.059 -0.296 0.000 0.913 173 L HN 0.221 nan 8.230 nan 0.000 0.440 174 C N -0.869 118.180 119.300 -0.420 0.000 2.467 174 C HA -0.046 4.414 4.460 -0.000 0.000 0.279 174 C C 2.250 177.122 174.990 -0.196 0.000 1.347 174 C CA 0.733 59.552 59.018 -0.332 0.000 1.748 174 C CB -0.713 26.814 27.740 -0.355 0.000 1.977 174 C HN 0.597 nan 8.230 nan 0.000 0.501 175 S N -0.056 115.543 115.700 -0.170 0.000 2.577 175 S HA 0.144 4.613 4.470 -0.000 0.000 0.239 175 S C -0.488 174.048 174.600 -0.107 0.000 1.236 175 S CA -0.240 57.888 58.200 -0.121 0.000 1.233 175 S CB -0.462 62.677 63.200 -0.102 0.000 0.908 175 S HN 0.551 nan 8.310 nan 0.000 0.493 176 D N 1.148 121.481 120.400 -0.112 0.000 2.264 176 D HA 0.171 4.811 4.640 -0.000 0.000 0.249 176 D C -0.071 176.173 176.300 -0.093 0.000 1.070 176 D CA -0.161 53.783 54.000 -0.093 0.000 0.912 176 D CB 1.457 42.205 40.800 -0.086 0.000 1.193 176 D HN 0.154 nan 8.370 nan 0.000 0.427 177 D N 0.212 120.560 120.400 -0.086 0.000 2.378 177 D HA -0.041 4.598 4.640 -0.000 0.000 0.222 177 D C 0.270 176.504 176.300 -0.110 0.000 0.980 177 D CA 0.870 54.815 54.000 -0.091 0.000 0.907 177 D CB 0.159 40.908 40.800 -0.085 0.000 0.899 177 D HN 0.331 nan 8.370 nan 0.000 0.527 178 T N -1.542 112.937 114.554 -0.125 0.000 2.758 178 T HA 0.496 4.846 4.350 -0.000 0.000 0.285 178 T C -2.639 171.955 174.700 -0.177 0.000 0.981 178 T CA -2.411 59.584 62.100 -0.175 0.000 0.965 178 T CB 2.141 70.873 68.868 -0.228 0.000 0.927 178 T HN -0.306 nan 8.240 nan 0.000 0.448 182 R N 0.953 121.393 120.500 -0.101 0.000 2.073 182 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 182 R C 2.246 178.499 176.300 -0.078 0.000 1.134 182 R CA 1.907 57.944 56.100 -0.105 0.000 0.952 182 R CB -0.283 29.954 30.300 -0.105 0.000 0.850 182 R HN 0.491 nan 8.270 nan 0.000 0.433 183 R N 0.376 120.835 120.500 -0.068 0.000 2.159 183 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 183 R C 2.244 178.538 176.300 -0.010 0.000 1.131 183 R CA 1.288 57.364 56.100 -0.041 0.000 0.982 183 R CB -0.353 29.919 30.300 -0.047 0.000 0.868 183 R HN 0.231 nan 8.270 nan 0.000 0.453 184 A N 1.532 124.348 122.820 -0.007 0.000 1.826 184 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 184 A C 2.446 180.055 177.584 0.041 0.000 1.212 184 A CA 1.305 53.364 52.037 0.036 0.000 0.605 184 A CB -0.983 18.051 19.000 0.057 0.000 0.861 184 A HN 0.326 nan 8.150 nan 0.000 0.447 185 A N -0.067 122.734 122.820 -0.032 0.000 1.971 185 A HA -0.069 4.250 4.320 -0.000 0.000 0.222 185 A C 2.483 180.068 177.584 0.002 0.000 1.182 185 A CA 2.915 54.873 52.037 -0.132 0.000 0.649 185 A CB -1.267 17.491 19.000 -0.403 0.000 0.818 185 A HN 1.263 nan 8.150 nan 0.000 0.458 186 A N 0.272 123.090 122.820 -0.003 0.000 1.849 186 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 186 A C 2.570 180.212 177.584 0.096 0.000 1.202 186 A CA 3.126 55.190 52.037 0.044 0.000 0.629 186 A CB -1.371 17.640 19.000 0.019 0.000 0.834 186 A HN 1.256 nan 8.150 nan 0.000 0.447 187 S N -0.551 115.200 115.700 0.086 0.000 2.400 187 S HA -0.161 4.309 4.470 -0.000 0.000 0.232 187 S C 1.717 176.395 174.600 0.130 0.000 1.025 187 S CA 1.518 59.776 58.200 0.097 0.000 0.993 187 S CB -0.259 62.989 63.200 0.080 0.000 0.808 187 S HN 0.484 nan 8.310 nan 0.000 0.478 188 K N 0.749 121.255 120.400 0.177 0.000 2.305 188 K HA 0.255 4.575 4.320 -0.000 0.000 0.199 188 K C 1.934 178.698 176.600 0.274 0.000 1.047 188 K CA 0.325 56.745 56.287 0.221 0.000 0.976 188 K CB -0.721 31.947 32.500 0.280 0.000 0.765 188 K HN 0.387 nan 8.250 nan 0.000 0.474 189 L N 1.341 122.765 121.223 0.334 0.000 2.089 189 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 189 L C 1.959 178.953 176.870 0.206 0.000 1.079 189 L CA 2.237 57.295 54.840 0.364 0.000 0.758 189 L CB -0.987 41.236 42.059 0.273 0.000 0.891 189 L HN 0.211 nan 8.230 nan 0.000 0.433 190 G N -0.494 108.383 108.800 0.129 0.000 2.453 190 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.215 190 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.215 190 G C 1.313 176.235 174.900 0.036 0.000 1.201 190 G CA 0.756 45.886 45.100 0.051 0.000 0.784 190 G HN 0.695 nan 8.290 nan 0.000 0.545 191 E N -0.774 119.465 120.200 0.065 0.000 2.204 191 E HA -0.110 4.239 4.350 -0.000 0.000 0.195 191 E C 2.084 178.714 176.600 0.050 0.000 0.990 191 E CA 0.785 57.217 56.400 0.053 0.000 0.821 191 E CB -0.391 29.356 29.700 0.078 0.000 0.750 191 E HN 0.377 nan 8.360 nan 0.000 0.477 192 F N 1.567 121.432 119.950 -0.141 0.000 2.367 192 F HA 0.213 4.739 4.527 -0.000 0.000 0.298 192 F C 2.187 177.841 175.800 -0.244 0.000 1.094 192 F CA 0.702 58.525 58.000 -0.295 0.000 1.409 192 F CB -0.297 38.297 39.000 -0.676 0.000 1.064 192 F HN 0.127 nan 8.300 nan 0.000 0.528 193 A N 0.473 123.155 122.820 -0.229 0.000 1.872 193 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 193 A C 2.157 179.584 177.584 -0.260 0.000 1.187 193 A CA 1.344 53.207 52.037 -0.291 0.000 0.614 193 A CB -0.675 18.237 19.000 -0.145 0.000 0.826 193 A HN 0.362 nan 8.150 nan 0.000 0.442 194 K N -0.144 120.161 120.400 -0.158 0.000 2.520 194 K HA -0.119 4.201 4.320 -0.000 0.000 0.198 194 K C 1.323 177.852 176.600 -0.117 0.000 1.045 194 K CA 1.392 57.612 56.287 -0.111 0.000 0.934 194 K CB -0.340 32.125 32.500 -0.058 0.000 0.766 194 K HN 0.620 nan 8.250 nan 0.000 0.483 195 V N -3.291 116.504 119.914 -0.198 0.000 3.539 195 V HA 0.162 4.282 4.120 -0.000 0.000 0.262 195 V C 0.783 176.796 176.094 -0.135 0.000 1.381 195 V CA -0.349 61.877 62.300 -0.123 0.000 1.060 195 V CB -0.236 31.561 31.823 -0.043 0.000 0.842 195 V HN -0.009 nan 8.190 nan 0.000 0.445 196 L N 2.648 123.633 121.223 -0.397 0.000 2.482 196 L HA 0.206 4.546 4.340 -0.000 0.000 0.273 196 L C 0.904 177.716 176.870 -0.096 0.000 1.228 196 L CA -0.003 54.633 54.840 -0.340 0.000 0.827 196 L CB 0.261 41.981 42.059 -0.564 0.000 1.099 196 L HN 0.435 nan 8.230 nan 0.000 0.494 197 E N 1.946 122.153 120.200 0.011 0.000 2.392 197 E HA -0.022 4.327 4.350 -0.000 0.000 0.259 197 E C 0.866 177.448 176.600 -0.031 0.000 1.108 197 E CA -0.610 55.793 56.400 0.005 0.000 0.916 197 E CB 0.931 30.651 29.700 0.034 0.000 0.989 197 E HN 0.412 nan 8.360 nan 0.000 0.432 198 L N 1.489 122.694 121.223 -0.028 0.000 1.965 198 L HA -0.275 4.065 4.340 -0.000 0.000 0.226 198 L C 1.643 178.496 176.870 -0.029 0.000 1.083 198 L CA 2.409 57.228 54.840 -0.034 0.000 0.790 198 L CB -1.182 40.862 42.059 -0.026 0.000 0.898 198 L HN 0.588 nan 8.230 nan 0.000 0.439 199 D N -0.163 120.229 120.400 -0.013 0.000 2.248 199 D HA -0.269 4.371 4.640 -0.000 0.000 0.189 199 D C 1.931 178.227 176.300 -0.006 0.000 1.011 199 D CA 1.918 55.915 54.000 -0.005 0.000 0.868 199 D CB -0.359 40.444 40.800 0.006 0.000 0.931 199 D HN 0.535 nan 8.370 nan 0.000 0.449 200 N N -0.531 118.164 118.700 -0.009 0.000 2.223 200 N HA -0.118 4.622 4.740 -0.000 0.000 0.185 200 N C 1.893 177.379 175.510 -0.041 0.000 1.016 200 N CA 0.585 53.625 53.050 -0.016 0.000 0.863 200 N CB 0.205 38.681 38.487 -0.019 0.000 0.983 200 N HN 0.045 nan 8.380 nan 0.000 0.429 201 V N 1.643 121.518 119.914 -0.065 0.000 2.332 201 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 201 V C 2.143 178.218 176.094 -0.031 0.000 1.055 201 V CA 1.663 63.919 62.300 -0.074 0.000 1.038 201 V CB -0.398 31.372 31.823 -0.088 0.000 0.651 201 V HN 0.273 nan 8.190 nan 0.000 0.450 202 K N 0.693 121.082 120.400 -0.019 0.000 2.001 202 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 202 K C 2.416 179.028 176.600 0.020 0.000 1.048 202 K CA 1.876 58.164 56.287 0.002 0.000 0.932 202 K CB -0.309 32.191 32.500 0.000 0.000 0.715 202 K HN 0.638 nan 8.250 nan 0.000 0.437 203 S N -0.047 115.664 115.700 0.018 0.000 2.439 203 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 203 S C 1.761 176.384 174.600 0.039 0.000 1.029 203 S CA 0.588 58.805 58.200 0.028 0.000 0.946 203 S CB 0.211 63.426 63.200 0.026 0.000 0.797 203 S HN 0.163 nan 8.310 nan 0.000 0.504 204 E N 0.623 120.846 120.200 0.039 0.000 2.192 204 E HA 0.332 4.682 4.350 -0.000 0.000 0.196 204 E C 1.926 178.573 176.600 0.079 0.000 0.922 204 E CA 0.168 56.603 56.400 0.059 0.000 0.924 204 E CB -0.124 29.614 29.700 0.064 0.000 0.911 204 E HN 0.204 nan 8.360 nan 0.000 0.478 205 I N 1.595 122.199 120.570 0.057 0.000 2.118 205 I HA -0.276 3.894 4.170 -0.000 0.000 0.241 205 I C 2.181 178.378 176.117 0.134 0.000 1.070 205 I CA 1.177 62.529 61.300 0.087 0.000 1.327 205 I CB -0.840 37.162 38.000 0.003 0.000 1.034 205 I HN 0.251 nan 8.210 nan 0.000 0.405 206 I N 0.631 121.268 120.570 0.111 0.000 2.113 206 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 206 I C -0.799 175.442 176.117 0.206 0.000 1.057 206 I CA 1.463 62.878 61.300 0.191 0.000 1.314 206 I CB -2.484 35.591 38.000 0.126 0.000 1.022 206 I HN 0.122 nan 8.210 nan 0.000 0.408 210 S N 1.304 116.796 115.700 -0.348 0.000 2.383 210 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 210 S C 1.461 175.904 174.600 -0.262 0.000 1.026 210 S CA 1.571 59.498 58.200 -0.454 0.000 0.981 210 S CB -1.131 61.935 63.200 -0.224 0.000 0.818 210 S HN 0.674 nan 8.310 nan 0.000 0.472 211 N N 1.835 120.449 118.700 -0.144 0.000 2.062 211 N HA 0.055 4.795 4.740 -0.000 0.000 0.191 211 N C 1.777 177.220 175.510 -0.111 0.000 1.042 211 N CA 1.541 54.526 53.050 -0.107 0.000 0.845 211 N CB -0.429 38.014 38.487 -0.073 0.000 1.024 211 N HN 0.332 nan 8.380 nan 0.000 0.424 212 L N 0.944 122.111 121.223 -0.094 0.000 2.261 212 L HA -0.110 4.229 4.340 -0.000 0.000 0.216 212 L C 2.358 179.171 176.870 -0.096 0.000 1.114 212 L CA 0.438 55.232 54.840 -0.075 0.000 0.777 212 L CB -0.503 41.539 42.059 -0.029 0.000 0.910 212 L HN 0.236 nan 8.230 nan 0.000 0.440 213 A N -0.405 122.312 122.820 -0.172 0.000 2.119 213 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 213 A C 1.853 179.346 177.584 -0.153 0.000 1.152 213 A CA 1.180 53.090 52.037 -0.212 0.000 0.708 213 A CB -0.139 18.582 19.000 -0.465 0.000 0.805 213 A HN 0.450 nan 8.150 nan 0.000 0.460 214 S N -0.580 115.040 115.700 -0.133 0.000 2.809 214 S HA 0.292 4.762 4.470 -0.000 0.000 0.248 214 S C -0.510 174.040 174.600 -0.082 0.000 1.071 214 S CA -0.484 57.656 58.200 -0.100 0.000 1.059 214 S CB -0.385 62.755 63.200 -0.099 0.000 0.923 214 S HN 0.351 nan 8.310 nan 0.000 0.516 215 D N 1.898 122.249 120.400 -0.082 0.000 2.382 215 D HA 0.156 4.796 4.640 -0.000 0.000 0.240 215 D C 1.185 177.444 176.300 -0.070 0.000 1.146 215 D CA 0.011 53.966 54.000 -0.075 0.000 0.897 215 D CB 0.743 41.497 40.800 -0.077 0.000 1.197 215 D HN 0.276 nan 8.370 nan 0.000 0.432 216 E N 0.500 120.660 120.200 -0.067 0.000 2.085 216 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 216 E C 0.309 176.869 176.600 -0.067 0.000 0.994 216 E CA 0.883 57.246 56.400 -0.062 0.000 0.801 216 E CB 0.085 29.749 29.700 -0.060 0.000 0.743 216 E HN 0.381 nan 8.360 nan 0.000 0.453 217 Q N 1.323 121.079 119.800 -0.074 0.000 2.307 217 Q HA -0.038 4.302 4.340 -0.000 0.000 0.259 217 Q C 0.297 176.246 176.000 -0.084 0.000 0.998 217 Q CA -0.090 55.665 55.803 -0.080 0.000 0.923 217 Q CB 0.978 29.666 28.738 -0.085 0.000 1.196 217 Q HN 0.181 nan 8.270 nan 0.000 0.416 218 D N 0.886 121.230 120.400 -0.094 0.000 2.178 218 D HA -0.193 4.447 4.640 -0.000 0.000 0.201 218 D C 0.969 177.203 176.300 -0.110 0.000 0.980 218 D CA 1.458 55.394 54.000 -0.106 0.000 0.842 218 D CB -0.151 40.566 40.800 -0.138 0.000 0.948 218 D HN 0.493 nan 8.370 nan 0.000 0.472 219 S N -0.297 115.336 115.700 -0.111 0.000 2.547 219 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 219 S C 1.962 176.517 174.600 -0.076 0.000 0.980 219 S CA 0.472 58.610 58.200 -0.103 0.000 0.941 219 S CB -0.167 62.973 63.200 -0.100 0.000 0.763 219 S HN 0.199 nan 8.310 nan 0.000 0.532 220 V N 1.755 121.625 119.914 -0.072 0.000 2.391 220 V HA 0.075 4.195 4.120 -0.000 0.000 0.237 220 V C 2.706 178.775 176.094 -0.042 0.000 1.046 220 V CA 0.883 63.149 62.300 -0.057 0.000 1.053 220 V CB -0.626 31.157 31.823 -0.067 0.000 0.704 220 V HN 0.342 nan 8.190 nan 0.000 0.475 221 R N 0.616 121.083 120.500 -0.054 0.000 2.165 221 R HA -0.254 4.086 4.340 -0.000 0.000 0.254 221 R C 2.312 178.601 176.300 -0.018 0.000 1.153 221 R CA 2.331 58.403 56.100 -0.047 0.000 0.971 221 R CB -0.902 29.362 30.300 -0.060 0.000 0.878 221 R HN 0.659 nan 8.270 nan 0.000 0.449 222 L N -1.093 120.115 121.223 -0.024 0.000 2.201 222 L HA -0.066 4.273 4.340 -0.000 0.000 0.212 222 L C 1.924 178.817 176.870 0.039 0.000 1.105 222 L CA 1.348 56.192 54.840 0.007 0.000 0.775 222 L CB -0.489 41.557 42.059 -0.021 0.000 0.913 222 L HN 0.105 nan 8.230 nan 0.000 0.440 223 L N 0.666 121.905 121.223 0.028 0.000 2.291 223 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 223 L C 3.033 179.956 176.870 0.089 0.000 1.120 223 L CA 0.677 55.548 54.840 0.052 0.000 0.799 223 L CB -0.728 41.352 42.059 0.035 0.000 0.925 223 L HN 0.390 nan 8.230 nan 0.000 0.446 224 A N -0.046 122.827 122.820 0.089 0.000 1.930 224 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 224 A C 2.303 180.041 177.584 0.256 0.000 1.175 224 A CA 1.284 53.419 52.037 0.163 0.000 0.627 224 A CB -0.578 18.456 19.000 0.056 0.000 0.815 224 A HN 0.184 nan 8.150 nan 0.000 0.443 225 V N 0.120 120.136 119.914 0.171 0.000 2.515 225 V HA -0.216 3.903 4.120 -0.000 0.000 0.250 225 V C 2.539 178.726 176.094 0.155 0.000 1.058 225 V CA 2.292 64.702 62.300 0.183 0.000 1.064 225 V CB -0.618 31.286 31.823 0.135 0.000 0.675 225 V HN 0.719 nan 8.190 nan 0.000 0.461 226 E N 1.341 121.617 120.200 0.126 0.000 2.051 226 E HA -0.161 4.188 4.350 -0.000 0.000 0.192 226 E C 2.079 178.722 176.600 0.072 0.000 0.991 226 E CA 1.710 58.166 56.400 0.094 0.000 0.799 226 E CB -0.493 29.258 29.700 0.085 0.000 0.748 226 E HN 0.497 nan 8.360 nan 0.000 0.449 227 A N -0.155 122.719 122.820 0.090 0.000 2.168 227 A HA -0.094 4.225 4.320 -0.000 0.000 0.215 227 A C 2.436 179.961 177.584 -0.099 0.000 1.152 227 A CA 1.058 53.114 52.037 0.031 0.000 0.716 227 A CB -1.132 17.920 19.000 0.086 0.000 0.794 227 A HN 0.542 nan 8.150 nan 0.000 0.465 228 C N -0.962 118.325 119.300 -0.022 0.000 2.446 228 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 228 C C 2.548 177.443 174.990 -0.158 0.000 1.275 228 C CA 1.407 60.316 59.018 -0.182 0.000 1.727 228 C CB -1.290 26.562 27.740 0.188 0.000 2.010 228 C HN 0.436 nan 8.230 nan 0.000 0.486 229 V N 1.208 121.087 119.914 -0.059 0.000 2.490 229 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 229 V C 2.206 178.254 176.094 -0.076 0.000 1.061 229 V CA 2.497 64.764 62.300 -0.054 0.000 1.064 229 V CB -1.129 30.683 31.823 -0.018 0.000 0.670 229 V HN 0.628 nan 8.190 nan 0.000 0.461 230 N N -0.107 118.541 118.700 -0.086 0.000 2.207 230 N HA 0.006 4.746 4.740 -0.000 0.000 0.182 230 N C 1.821 177.255 175.510 -0.126 0.000 1.020 230 N CA 0.997 53.996 53.050 -0.084 0.000 0.858 230 N CB -0.068 38.382 38.487 -0.060 0.000 0.991 230 N HN 0.394 nan 8.380 nan 0.000 0.427 231 I N 0.795 121.241 120.570 -0.206 0.000 2.394 231 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 231 I C 2.281 178.284 176.117 -0.191 0.000 1.136 231 I CA 0.598 61.748 61.300 -0.250 0.000 1.425 231 I CB -0.335 37.382 38.000 -0.472 0.000 1.079 231 I HN 0.147 nan 8.210 nan 0.000 0.425 232 A N 0.490 123.207 122.820 -0.173 0.000 2.067 232 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 232 A C 2.185 179.719 177.584 -0.085 0.000 1.158 232 A CA 1.151 53.120 52.037 -0.114 0.000 0.661 232 A CB -0.415 18.528 19.000 -0.094 0.000 0.801 232 A HN 0.523 nan 8.150 nan 0.000 0.452 233 Q N -0.578 119.173 119.800 -0.083 0.000 2.432 233 Q HA 0.181 4.521 4.340 -0.000 0.000 0.205 233 Q C 1.574 177.536 176.000 -0.062 0.000 0.945 233 Q CA 0.458 56.222 55.803 -0.064 0.000 0.924 233 Q CB -0.044 28.660 28.738 -0.056 0.000 1.016 233 Q HN 0.661 nan 8.270 nan 0.000 0.503 234 L N -0.084 121.094 121.223 -0.075 0.000 2.253 234 L HA 0.114 4.454 4.340 -0.000 0.000 0.205 234 L C 0.839 177.673 176.870 -0.061 0.000 1.078 234 L CA 0.193 54.990 54.840 -0.070 0.000 0.805 234 L CB -0.003 42.004 42.059 -0.088 0.000 0.963 234 L HN 0.141 nan 8.230 nan 0.000 0.459 235 L N 2.085 123.269 121.223 -0.064 0.000 2.371 235 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 235 L C -2.018 174.829 176.870 -0.039 0.000 1.124 235 L CA -1.709 53.101 54.840 -0.049 0.000 0.816 235 L CB 0.437 42.465 42.059 -0.050 0.000 1.129 235 L HN -0.112 nan 8.230 nan 0.000 0.448 236 P HA 0.070 nan 4.420 nan 0.000 0.285 236 P C 0.033 177.320 177.300 -0.021 0.000 1.259 236 P CA -0.497 62.588 63.100 -0.025 0.000 0.794 236 P CB 1.604 33.292 31.700 -0.020 0.000 0.940 237 Q N 2.260 122.047 119.800 -0.021 0.000 2.078 237 Q HA -0.324 4.016 4.340 -0.000 0.000 0.222 237 Q C 1.473 177.467 176.000 -0.011 0.000 1.073 237 Q CA 2.685 58.478 55.803 -0.017 0.000 0.926 237 Q CB -0.733 27.995 28.738 -0.017 0.000 1.054 237 Q HN 0.544 nan 8.270 nan 0.000 0.450 238 E N 0.442 120.637 120.200 -0.008 0.000 2.242 238 E HA -0.257 4.093 4.350 -0.000 0.000 0.247 238 E C 1.513 178.113 176.600 0.000 0.000 1.056 238 E CA 2.198 58.596 56.400 -0.003 0.000 0.999 238 E CB -0.458 29.240 29.700 -0.003 0.000 0.891 238 E HN 0.513 nan 8.360 nan 0.000 0.512 239 D N 0.225 120.624 120.400 -0.001 0.000 2.393 239 D HA -0.173 4.467 4.640 -0.000 0.000 0.220 239 D C 1.903 178.207 176.300 0.007 0.000 0.974 239 D CA 0.636 54.638 54.000 0.003 0.000 0.931 239 D CB -0.174 40.625 40.800 -0.001 0.000 0.889 239 D HN 0.212 nan 8.370 nan 0.000 0.512 240 L N 0.446 121.670 121.223 0.002 0.000 2.046 240 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 240 L C 2.295 179.177 176.870 0.021 0.000 1.077 240 L CA 1.128 55.971 54.840 0.005 0.000 0.747 240 L CB -0.035 42.021 42.059 -0.005 0.000 0.896 240 L HN -0.111 nan 8.230 nan 0.000 0.432 241 E N -0.351 119.861 120.200 0.019 0.000 2.482 241 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 241 E C 1.481 178.098 176.600 0.029 0.000 1.047 241 E CA 0.925 57.340 56.400 0.025 0.000 0.869 241 E CB 0.248 29.960 29.700 0.019 0.000 0.836 241 E HN 0.406 nan 8.360 nan 0.000 0.520 242 A N -0.581 122.256 122.820 0.029 0.000 1.993 242 A HA 0.220 4.540 4.320 -0.000 0.000 0.207 242 A C 1.775 179.386 177.584 0.045 0.000 1.224 242 A CA 0.376 52.431 52.037 0.031 0.000 0.749 242 A CB 0.060 19.073 19.000 0.023 0.000 0.884 242 A HN 0.263 nan 8.150 nan 0.000 0.467 243 L N -0.992 120.264 121.223 0.056 0.000 2.500 243 L HA 0.224 4.564 4.340 -0.000 0.000 0.219 243 L C 0.582 177.547 176.870 0.158 0.000 1.057 243 L CA 0.050 54.944 54.840 0.088 0.000 0.854 243 L CB -0.290 41.809 42.059 0.067 0.000 1.078 243 L HN 0.041 nan 8.230 nan 0.000 0.480 247 T N 1.276 115.842 114.554 0.021 0.000 2.746 247 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 247 T C 1.638 176.354 174.700 0.027 0.000 1.039 247 T CA 1.517 63.593 62.100 -0.041 0.000 1.142 247 T CB -0.417 68.336 68.868 -0.192 0.000 0.866 247 T HN 0.034 nan 8.240 nan 0.000 0.444 248 L N 1.420 122.712 121.223 0.114 0.000 2.083 248 L HA 0.009 4.349 4.340 -0.000 0.000 0.209 248 L C 2.368 179.299 176.870 0.102 0.000 1.083 248 L CA 1.554 56.473 54.840 0.131 0.000 0.752 248 L CB -0.538 41.604 42.059 0.138 0.000 0.899 248 L HN 0.094 nan 8.230 nan 0.000 0.433 249 R N -0.912 119.637 120.500 0.082 0.000 2.062 249 R HA -0.180 4.160 4.340 -0.000 0.000 0.231 249 R C 2.192 178.527 176.300 0.059 0.000 1.136 249 R CA 1.278 57.425 56.100 0.077 0.000 0.948 249 R CB -0.693 29.645 30.300 0.062 0.000 0.845 249 R HN 0.368 nan 8.270 nan 0.000 0.430 250 Q N 1.460 121.280 119.800 0.035 0.000 2.118 250 Q HA -0.229 4.111 4.340 -0.000 0.000 0.211 250 Q C 1.854 177.866 176.000 0.019 0.000 0.998 250 Q CA 2.592 58.403 55.803 0.013 0.000 0.872 250 Q CB -0.447 28.280 28.738 -0.018 0.000 0.925 250 Q HN 0.374 nan 8.270 nan 0.000 0.414 251 A N -0.104 122.735 122.820 0.031 0.000 1.968 251 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 251 A C 2.263 179.888 177.584 0.068 0.000 1.169 251 A CA 1.521 53.584 52.037 0.043 0.000 0.638 251 A CB -0.983 18.051 19.000 0.057 0.000 0.812 251 A HN 0.579 nan 8.150 nan 0.000 0.446 252 A N -0.539 122.333 122.820 0.087 0.000 2.070 252 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 252 A C 1.898 179.521 177.584 0.065 0.000 1.159 252 A CA 1.636 53.730 52.037 0.096 0.000 0.656 252 A CB -0.286 18.789 19.000 0.125 0.000 0.800 252 A HN 0.642 nan 8.150 nan 0.000 0.453 253 E N -0.690 119.541 120.200 0.052 0.000 2.162 253 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 253 E C -0.131 176.492 176.600 0.038 0.000 0.953 253 E CA -0.244 56.180 56.400 0.039 0.000 0.849 253 E CB 0.018 29.736 29.700 0.030 0.000 0.810 253 E HN 0.540 nan 8.360 nan 0.000 0.470 254 D N 1.828 122.246 120.400 0.030 0.000 3.794 254 D HA -0.188 4.452 4.640 -0.000 0.000 0.141 254 D C 0.907 177.225 176.300 0.030 0.000 0.967 254 D CA 0.526 54.537 54.000 0.019 0.000 0.585 254 D CB 0.687 41.494 40.800 0.013 0.000 1.063 254 D HN -0.009 nan 8.370 nan 0.000 0.520 255 K N 1.861 122.271 120.400 0.017 0.000 2.074 255 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 255 K C 1.088 177.716 176.600 0.046 0.000 1.048 255 K CA 0.574 56.879 56.287 0.029 0.000 0.926 255 K CB -0.498 32.009 32.500 0.012 0.000 0.713 255 K HN 0.306 nan 8.250 nan 0.000 0.444 256 S N 2.745 118.445 115.700 -0.001 0.000 2.429 256 S HA 0.025 4.495 4.470 -0.000 0.000 0.292 256 S C 1.415 175.991 174.600 -0.040 0.000 1.183 256 S CA -0.709 57.450 58.200 -0.069 0.000 1.088 256 S CB -0.137 62.972 63.200 -0.152 0.000 1.018 256 S HN 0.412 nan 8.310 nan 0.000 0.511 257 W N 6.454 127.764 121.300 0.018 0.000 2.321 257 W HA -0.234 4.426 4.660 -0.000 0.000 0.285 257 W C 1.238 177.802 176.519 0.074 0.000 1.213 257 W CA 0.669 58.038 57.345 0.040 0.000 1.205 257 W CB -0.759 28.720 29.460 0.032 0.000 1.134 257 W HN 0.687 nan 8.180 nan 0.000 0.549 258 R N 1.056 121.205 120.500 -0.586 0.000 2.080 258 R HA -0.140 4.200 4.340 -0.000 0.000 0.236 258 R C 2.422 178.671 176.300 -0.085 0.000 1.137 258 R CA 2.157 57.921 56.100 -0.559 0.000 0.943 258 R CB -1.069 28.772 30.300 -0.765 0.000 0.846 258 R HN 0.182 nan 8.270 nan 0.000 0.431 259 V N 1.398 121.268 119.914 -0.072 0.000 2.287 259 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 259 V C 2.503 178.664 176.094 0.111 0.000 1.053 259 V CA 1.797 64.109 62.300 0.020 0.000 1.027 259 V CB -0.592 31.231 31.823 -0.000 0.000 0.646 259 V HN 0.338 nan 8.190 nan 0.000 0.447 260 R N -1.130 119.451 120.500 0.136 0.000 2.097 260 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 260 R C 1.523 177.950 176.300 0.211 0.000 1.135 260 R CA 1.521 57.717 56.100 0.161 0.000 0.934 260 R CB -0.620 29.778 30.300 0.164 0.000 0.846 260 R HN 0.571 nan 8.270 nan 0.000 0.431 264 A N 0.534 123.381 122.820 0.045 0.000 1.874 264 A HA -0.161 4.158 4.320 -0.000 0.000 0.214 264 A C 1.702 179.266 177.584 -0.033 0.000 1.189 264 A CA 2.397 54.387 52.037 -0.078 0.000 0.615 264 A CB -0.391 18.474 19.000 -0.226 0.000 0.830 264 A HN 0.565 nan 8.150 nan 0.000 0.443 265 D N -0.676 119.673 120.400 -0.086 0.000 2.162 265 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 265 D C 1.043 177.390 176.300 0.078 0.000 0.967 265 D CA 0.846 54.833 54.000 -0.023 0.000 0.840 265 D CB 0.101 40.901 40.800 -0.000 0.000 0.972 265 D HN 0.077 nan 8.370 nan 0.000 0.482 266 K N 0.168 120.637 120.400 0.115 0.000 2.684 266 K HA 0.055 4.375 4.320 -0.000 0.000 0.215 266 K C 0.485 177.166 176.600 0.135 0.000 1.073 266 K CA -0.267 56.086 56.287 0.109 0.000 1.197 266 K CB -0.242 32.317 32.500 0.098 0.000 0.955 266 K HN 0.217 nan 8.250 nan 0.000 0.473 267 F N 2.142 122.082 119.950 -0.018 0.000 2.053 267 F HA -0.197 4.330 4.527 -0.000 0.000 0.292 267 F C 2.431 178.217 175.800 -0.024 0.000 1.125 267 F CA 1.971 59.942 58.000 -0.050 0.000 1.193 267 F CB -0.550 38.361 39.000 -0.149 0.000 0.996 267 F HN 0.190 nan 8.300 nan 0.000 0.470 268 T N -2.186 112.423 114.554 0.092 0.000 2.849 268 T HA -0.209 4.140 4.350 -0.000 0.000 0.270 268 T C 1.671 176.357 174.700 -0.022 0.000 1.066 268 T CA 1.699 63.828 62.100 0.048 0.000 1.130 268 T CB -0.513 68.403 68.868 0.080 0.000 0.864 268 T HN 0.218 nan 8.240 nan 0.000 0.481 269 E N 1.040 121.230 120.200 -0.015 0.000 2.072 269 E HA 0.134 4.484 4.350 -0.000 0.000 0.191 269 E C 2.145 178.705 176.600 -0.066 0.000 0.985 269 E CA 0.733 57.117 56.400 -0.026 0.000 0.801 269 E CB -0.428 29.273 29.700 0.001 0.000 0.750 269 E HN 0.449 nan 8.360 nan 0.000 0.452 270 L N 0.550 121.706 121.223 -0.110 0.000 2.093 270 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 270 L C 2.622 179.377 176.870 -0.192 0.000 1.085 270 L CA 1.104 55.852 54.840 -0.154 0.000 0.755 270 L CB -0.337 41.596 42.059 -0.211 0.000 0.904 270 L HN 0.253 nan 8.230 nan 0.000 0.435 271 Q N 0.570 120.223 119.800 -0.246 0.000 1.935 271 Q HA -0.308 4.032 4.340 -0.000 0.000 0.212 271 Q C 2.212 178.142 176.000 -0.117 0.000 1.008 271 Q CA 2.168 57.861 55.803 -0.183 0.000 0.868 271 Q CB -0.018 28.657 28.738 -0.105 0.000 0.946 271 Q HN 0.317 nan 8.270 nan 0.000 0.418 272 K N -0.310 120.036 120.400 -0.089 0.000 2.032 272 K HA -0.281 4.039 4.320 -0.000 0.000 0.218 272 K C 2.089 178.650 176.600 -0.066 0.000 1.054 272 K CA 1.577 57.822 56.287 -0.069 0.000 0.941 272 K CB -0.443 32.025 32.500 -0.052 0.000 0.720 272 K HN 0.368 nan 8.250 nan 0.000 0.449 273 A N 0.970 123.750 122.820 -0.067 0.000 1.859 273 A HA -0.206 4.113 4.320 -0.000 0.000 0.217 273 A C 2.356 179.902 177.584 -0.062 0.000 1.198 273 A CA 2.211 54.210 52.037 -0.062 0.000 0.629 273 A CB -1.050 17.911 19.000 -0.065 0.000 0.830 273 A HN 0.123 nan 8.150 nan 0.000 0.446 274 V N -1.015 118.857 119.914 -0.070 0.000 2.223 274 V HA 0.178 4.298 4.120 -0.000 0.000 0.246 274 V C 1.548 177.612 176.094 -0.050 0.000 1.045 274 V CA 1.763 64.028 62.300 -0.058 0.000 1.004 274 V CB -1.589 30.193 31.823 -0.068 0.000 0.641 274 V HN 1.167 nan 8.190 nan 0.000 0.457 275 G N -2.097 106.669 108.800 -0.057 0.000 2.322 275 G HA2 0.365 4.325 3.960 -0.000 0.000 0.295 275 G HA3 0.365 4.325 3.960 -0.000 0.000 0.295 275 G C -2.800 172.064 174.900 -0.060 0.000 1.369 275 G CA 0.325 45.395 45.100 -0.050 0.000 0.821 275 G HN 0.115 nan 8.290 nan 0.000 0.536 276 P HA 0.114 nan 4.420 nan 0.000 0.239 276 P C 0.803 178.067 177.300 -0.059 0.000 1.188 276 P CA 0.826 63.884 63.100 -0.071 0.000 0.794 276 P CB 1.044 32.706 31.700 -0.063 0.000 0.937 277 E N 0.361 120.537 120.200 -0.040 0.000 2.083 277 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 277 E C 1.813 178.406 176.600 -0.012 0.000 0.950 277 E CA 0.245 56.630 56.400 -0.025 0.000 0.849 277 E CB -0.472 29.217 29.700 -0.018 0.000 0.827 277 E HN -0.154 nan 8.360 nan 0.000 0.465 278 I N 1.931 122.495 120.570 -0.011 0.000 2.597 278 I HA -0.256 3.914 4.170 -0.000 0.000 0.262 278 I C 2.178 178.302 176.117 0.012 0.000 1.194 278 I CA 1.262 62.563 61.300 0.002 0.000 1.437 278 I CB -0.825 37.173 38.000 -0.004 0.000 1.096 278 I HN 0.181 nan 8.210 nan 0.000 0.451 279 T N 0.070 114.621 114.554 -0.005 0.000 2.701 279 T HA -0.212 4.137 4.350 -0.000 0.000 0.263 279 T C 1.982 176.723 174.700 0.068 0.000 1.040 279 T CA 1.469 63.578 62.100 0.015 0.000 1.147 279 T CB -0.160 68.678 68.868 -0.050 0.000 0.865 279 T HN 0.346 nan 8.240 nan 0.000 0.426 280 K N 0.235 120.651 120.400 0.027 0.000 2.147 280 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 280 K C 2.195 178.835 176.600 0.066 0.000 1.049 280 K CA 1.315 57.628 56.287 0.043 0.000 0.936 280 K CB -0.092 32.412 32.500 0.007 0.000 0.722 280 K HN 0.258 nan 8.250 nan 0.000 0.446 281 T N 0.553 115.138 114.554 0.053 0.000 2.851 281 T HA -0.052 4.298 4.350 -0.000 0.000 0.262 281 T C 1.025 175.769 174.700 0.074 0.000 1.043 281 T CA 1.263 63.394 62.100 0.053 0.000 1.140 281 T CB 0.029 68.918 68.868 0.036 0.000 0.872 281 T HN 0.296 nan 8.240 nan 0.000 0.446 282 D N 0.067 120.520 120.400 0.090 0.000 2.929 282 D HA 0.238 4.878 4.640 -0.000 0.000 0.291 282 D C 2.215 178.622 176.300 0.178 0.000 1.086 282 D CA 0.132 54.199 54.000 0.111 0.000 0.971 282 D CB 0.175 41.026 40.800 0.086 0.000 1.275 282 D HN 0.209 nan 8.370 nan 0.000 0.469 283 L N 1.395 122.742 121.223 0.207 0.000 2.083 283 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 283 L C 2.633 179.832 176.870 0.548 0.000 1.083 283 L CA 0.703 55.768 54.840 0.376 0.000 0.752 283 L CB -0.513 41.642 42.059 0.161 0.000 0.899 283 L HN -0.092 nan 8.230 nan 0.000 0.433 284 V N 0.318 120.516 119.914 0.473 0.000 2.255 284 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 284 V C 0.029 176.323 176.094 0.333 0.000 1.051 284 V CA 2.321 64.920 62.300 0.498 0.000 1.018 284 V CB -1.435 30.587 31.823 0.332 0.000 0.641 284 V HN 0.323 nan 8.190 nan 0.000 0.445 285 P HA -0.155 nan 4.420 nan 0.000 0.213 285 P C 1.759 179.135 177.300 0.127 0.000 1.170 285 P CA 2.114 65.297 63.100 0.139 0.000 0.898 285 P CB -0.274 31.491 31.700 0.109 0.000 0.787 286 A N -0.826 122.100 122.820 0.175 0.000 1.915 286 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 286 A C 2.170 179.793 177.584 0.065 0.000 1.198 286 A CA 1.988 54.122 52.037 0.162 0.000 0.647 286 A CB -2.000 17.171 19.000 0.285 0.000 0.825 286 A HN 0.139 nan 8.150 nan 0.000 0.456 287 F N 0.700 120.582 119.950 -0.113 0.000 2.126 287 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 287 F C 2.433 178.031 175.800 -0.337 0.000 1.096 287 F CA 2.029 59.708 58.000 -0.536 0.000 1.255 287 F CB -0.773 37.866 39.000 -0.602 0.000 0.997 287 F HN 0.391 nan 8.300 nan 0.000 0.479 288 Q N 0.007 119.656 119.800 -0.251 0.000 2.002 288 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 288 Q C 1.942 177.774 176.000 -0.280 0.000 0.988 288 Q CA 1.929 57.556 55.803 -0.294 0.000 0.843 288 Q CB -0.485 28.187 28.738 -0.110 0.000 0.908 288 Q HN 0.360 nan 8.270 nan 0.000 0.420 289 N N 0.374 118.975 118.700 -0.164 0.000 2.111 289 N HA -0.178 4.562 4.740 -0.000 0.000 0.197 289 N C 0.513 175.924 175.510 -0.165 0.000 1.011 289 N CA 1.046 54.022 53.050 -0.124 0.000 0.880 289 N CB -0.445 38.006 38.487 -0.061 0.000 1.031 289 N HN 0.139 nan 8.380 nan 0.000 0.444 293 D N -0.037 120.293 120.400 -0.116 0.000 2.360 293 D HA 0.093 4.733 4.640 -0.000 0.000 0.242 293 D C 1.152 177.408 176.300 -0.073 0.000 1.184 293 D CA -0.443 53.510 54.000 -0.078 0.000 0.930 293 D CB 0.968 41.730 40.800 -0.064 0.000 1.161 293 D HN 0.250 nan 8.370 nan 0.000 0.447 294 C N 0.292 119.561 119.300 -0.052 0.000 2.481 294 C HA 0.144 4.603 4.460 -0.000 0.000 0.275 294 C C 0.829 175.757 174.990 -0.104 0.000 1.419 294 C CA -0.262 58.719 59.018 -0.061 0.000 1.773 294 C CB -0.727 26.994 27.740 -0.032 0.000 1.862 294 C HN 0.392 nan 8.230 nan 0.000 0.530 295 E N 0.643 120.769 120.200 -0.123 0.000 2.113 295 E HA 0.511 4.861 4.350 -0.000 0.000 0.273 295 E C 0.871 177.349 176.600 -0.204 0.000 0.924 295 E CA -0.118 56.138 56.400 -0.240 0.000 0.764 295 E CB 1.393 30.874 29.700 -0.365 0.000 1.104 295 E HN 0.250 nan 8.360 nan 0.000 0.406 296 A N 4.590 127.280 122.820 -0.216 0.000 1.929 296 A HA -0.318 4.002 4.320 -0.000 0.000 0.221 296 A C 1.831 179.342 177.584 -0.122 0.000 1.211 296 A CA 2.201 54.140 52.037 -0.163 0.000 0.657 296 A CB -0.326 18.565 19.000 -0.182 0.000 0.827 296 A HN 0.588 nan 8.150 nan 0.000 0.462 297 E N -0.566 119.546 120.200 -0.146 0.000 2.007 297 E HA -0.146 4.204 4.350 -0.000 0.000 0.203 297 E C 2.049 178.701 176.600 0.087 0.000 1.020 297 E CA 1.473 57.898 56.400 0.040 0.000 0.845 297 E CB -0.814 28.936 29.700 0.084 0.000 0.779 297 E HN 0.249 nan 8.360 nan 0.000 0.466 298 V N 1.282 121.268 119.914 0.120 0.000 2.363 298 V HA -0.352 3.768 4.120 -0.000 0.000 0.254 298 V C 2.361 178.402 176.094 -0.088 0.000 1.074 298 V CA 2.200 64.519 62.300 0.033 0.000 1.069 298 V CB -0.507 31.373 31.823 0.095 0.000 0.659 298 V HN 0.235 nan 8.190 nan 0.000 0.455 299 R N -0.171 120.274 120.500 -0.092 0.000 2.070 299 R HA -0.090 4.249 4.340 -0.000 0.000 0.227 299 R C 2.540 178.761 176.300 -0.131 0.000 1.147 299 R CA 1.527 57.548 56.100 -0.132 0.000 0.924 299 R CB -0.869 29.358 30.300 -0.121 0.000 0.827 299 R HN 0.513 nan 8.270 nan 0.000 0.431 300 A N 1.525 124.287 122.820 -0.097 0.000 1.917 300 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 300 A C 2.401 179.923 177.584 -0.104 0.000 1.182 300 A CA 2.042 54.015 52.037 -0.107 0.000 0.633 300 A CB -0.786 18.181 19.000 -0.056 0.000 0.819 300 A HN 0.483 nan 8.150 nan 0.000 0.448 301 A N -0.023 122.754 122.820 -0.070 0.000 1.859 301 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 301 A C 2.598 180.149 177.584 -0.055 0.000 1.209 301 A CA 3.056 55.032 52.037 -0.102 0.000 0.639 301 A CB -1.405 17.360 19.000 -0.392 0.000 0.835 301 A HN 1.334 nan 8.150 nan 0.000 0.450 302 A N -0.828 121.925 122.820 -0.112 0.000 1.917 302 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 302 A C 2.422 180.027 177.584 0.035 0.000 1.182 302 A CA 2.353 54.359 52.037 -0.051 0.000 0.633 302 A CB -1.110 17.714 19.000 -0.293 0.000 0.819 302 A HN 0.550 nan 8.150 nan 0.000 0.448 303 S N -0.732 114.927 115.700 -0.068 0.000 2.380 303 S HA -0.305 4.165 4.470 -0.000 0.000 0.229 303 S C 1.723 176.354 174.600 0.052 0.000 1.050 303 S CA 1.959 60.131 58.200 -0.048 0.000 1.100 303 S CB -0.783 62.335 63.200 -0.137 0.000 0.984 303 S HN 0.813 nan 8.310 nan 0.000 0.434 304 H N 1.169 120.262 119.070 0.038 0.000 2.357 304 H HA -0.079 4.477 4.556 -0.000 0.000 0.296 304 H C 1.896 177.273 175.328 0.081 0.000 1.108 304 H CA 1.384 57.462 56.048 0.049 0.000 1.273 304 H CB 0.085 29.865 29.762 0.031 0.000 1.367 304 H HN 0.150 nan 8.280 nan 0.000 0.498 305 K N 0.522 121.063 120.400 0.235 0.000 2.439 305 K HA -0.035 4.285 4.320 -0.000 0.000 0.197 305 K C 2.077 178.811 176.600 0.225 0.000 1.041 305 K CA 0.219 56.621 56.287 0.192 0.000 0.970 305 K CB -0.146 32.435 32.500 0.135 0.000 0.773 305 K HN 0.189 nan 8.250 nan 0.000 0.479 306 V N 2.194 122.294 119.914 0.310 0.000 2.231 306 V HA -0.346 3.774 4.120 -0.000 0.000 0.250 306 V C 2.655 178.904 176.094 0.258 0.000 1.058 306 V CA 2.238 64.748 62.300 0.351 0.000 1.022 306 V CB -0.442 31.541 31.823 0.267 0.000 0.640 306 V HN 0.410 nan 8.190 nan 0.000 0.445 307 K N 0.036 120.545 120.400 0.181 0.000 1.987 307 K HA -0.312 4.008 4.320 -0.000 0.000 0.216 307 K C 2.242 178.910 176.600 0.114 0.000 1.051 307 K CA 2.520 58.886 56.287 0.132 0.000 0.942 307 K CB -0.380 32.180 32.500 0.099 0.000 0.722 307 K HN 0.580 nan 8.250 nan 0.000 0.444 308 E N -0.694 119.573 120.200 0.111 0.000 2.265 308 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 308 E C 1.818 178.476 176.600 0.098 0.000 0.996 308 E CA 0.738 57.187 56.400 0.082 0.000 0.832 308 E CB -0.172 29.572 29.700 0.073 0.000 0.756 308 E HN 0.414 nan 8.360 nan 0.000 0.491 309 F N 0.500 120.421 119.950 -0.049 0.000 2.186 309 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 309 F C 1.947 177.705 175.800 -0.071 0.000 1.090 309 F CA 1.166 59.092 58.000 -0.123 0.000 1.307 309 F CB -0.471 38.334 39.000 -0.325 0.000 1.019 309 F HN 0.172 nan 8.300 nan 0.000 0.489 310 C N 0.287 119.561 119.300 -0.042 0.000 2.518 310 C HA -0.086 4.374 4.460 -0.000 0.000 0.279 310 C C 2.468 177.392 174.990 -0.111 0.000 1.279 310 C CA 0.829 59.777 59.018 -0.116 0.000 1.703 310 C CB -1.232 26.526 27.740 0.029 0.000 2.072 310 C HN 0.443 nan 8.230 nan 0.000 0.487 311 E N 1.174 121.347 120.200 -0.044 0.000 2.393 311 E HA -0.184 4.166 4.350 -0.000 0.000 0.201 311 E C 0.937 177.493 176.600 -0.073 0.000 1.025 311 E CA 0.950 57.326 56.400 -0.040 0.000 0.856 311 E CB -0.201 29.492 29.700 -0.011 0.000 0.771 311 E HN 0.604 nan 8.360 nan 0.000 0.526 312 N N -0.555 118.072 118.700 -0.121 0.000 2.205 312 N HA 0.139 4.879 4.740 -0.000 0.000 0.201 312 N C -0.435 174.947 175.510 -0.213 0.000 1.128 312 N CA -0.035 52.929 53.050 -0.143 0.000 0.867 312 N CB 0.516 38.928 38.487 -0.126 0.000 0.996 312 N HN 0.004 nan 8.380 nan 0.000 0.503 313 L N 0.511 121.579 121.223 -0.259 0.000 2.439 313 L HA 0.138 4.478 4.340 -0.000 0.000 0.269 313 L C 0.886 177.662 176.870 -0.156 0.000 1.179 313 L CA -0.225 54.452 54.840 -0.272 0.000 0.828 313 L CB 0.645 42.536 42.059 -0.280 0.000 1.106 313 L HN 0.025 nan 8.230 nan 0.000 0.467 314 S N 1.912 117.534 115.700 -0.131 0.000 2.817 314 S HA -0.120 4.350 4.470 -0.000 0.000 0.333 314 S C 1.355 175.915 174.600 -0.067 0.000 1.227 314 S CA 0.193 58.343 58.200 -0.084 0.000 1.027 314 S CB 0.591 63.752 63.200 -0.066 0.000 0.732 314 S HN 0.735 nan 8.310 nan 0.000 0.499 315 A N 4.075 126.863 122.820 -0.053 0.000 1.997 315 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 315 A C 0.780 178.345 177.584 -0.032 0.000 1.172 315 A CA 1.924 53.937 52.037 -0.040 0.000 0.645 315 A CB -0.637 18.344 19.000 -0.032 0.000 0.813 315 A HN 0.967 nan 8.150 nan 0.000 0.454 316 D N -2.561 117.821 120.400 -0.030 0.000 2.590 316 D HA 0.424 5.064 4.640 -0.000 0.000 0.280 316 D C 0.123 176.410 176.300 -0.022 0.000 1.197 316 D CA -0.017 53.970 54.000 -0.022 0.000 0.967 316 D CB -0.131 40.659 40.800 -0.017 0.000 0.987 316 D HN 0.617 nan 8.370 nan 0.000 0.508 317 C N -0.715 118.571 119.300 -0.024 0.000 4.992 317 C HA 0.084 4.544 4.460 -0.000 0.000 0.314 317 C C 1.920 176.894 174.990 -0.026 0.000 2.095 317 C CA -0.122 58.884 59.018 -0.021 0.000 1.770 317 C CB -0.951 26.776 27.740 -0.022 0.000 1.720 317 C HN 0.494 nan 8.230 nan 0.000 0.450 318 R N 2.130 122.608 120.500 -0.037 0.000 2.154 318 R HA -0.277 4.062 4.340 -0.000 0.000 0.236 318 R C 2.059 178.346 176.300 -0.021 0.000 1.121 318 R CA 2.649 58.722 56.100 -0.044 0.000 0.915 318 R CB -0.698 29.576 30.300 -0.045 0.000 0.856 318 R HN 0.802 nan 8.270 nan 0.000 0.431 319 E N -0.227 119.967 120.200 -0.012 0.000 2.130 319 E HA -0.271 4.078 4.350 -0.000 0.000 0.196 319 E C 1.780 178.378 176.600 -0.003 0.000 0.998 319 E CA 1.698 58.097 56.400 -0.002 0.000 0.806 319 E CB -0.185 29.517 29.700 0.004 0.000 0.738 319 E HN 0.386 nan 8.360 nan 0.000 0.459 320 N N 0.148 118.845 118.700 -0.004 0.000 2.058 320 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 320 N C 1.970 177.480 175.510 0.001 0.000 1.037 320 N CA 2.338 55.386 53.050 -0.002 0.000 0.848 320 N CB -0.270 38.216 38.487 -0.001 0.000 1.021 320 N HN 0.190 nan 8.380 nan 0.000 0.422 321 V N -0.891 119.027 119.914 0.006 0.000 2.488 321 V HA 0.162 4.282 4.120 -0.000 0.000 0.246 321 V C 1.484 177.602 176.094 0.041 0.000 1.046 321 V CA 0.464 62.780 62.300 0.026 0.000 1.053 321 V CB -0.525 31.317 31.823 0.032 0.000 0.679 321 V HN 0.186 nan 8.190 nan 0.000 0.458 325 Q N 0.925 120.741 119.800 0.027 0.000 2.514 325 Q HA 0.457 4.797 4.340 -0.000 0.000 0.208 325 Q C 1.673 177.713 176.000 0.067 0.000 0.938 325 Q CA 0.824 56.662 55.803 0.057 0.000 0.892 325 Q CB -0.253 28.545 28.738 0.099 0.000 1.050 325 Q HN 0.512 nan 8.270 nan 0.000 0.595 326 I N 1.099 121.729 120.570 0.099 0.000 2.339 326 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 326 I C 2.176 178.317 176.117 0.040 0.000 1.096 326 I CA 0.528 61.897 61.300 0.115 0.000 1.408 326 I CB -0.606 37.533 38.000 0.233 0.000 1.092 326 I HN 0.085 nan 8.210 nan 0.000 0.423 327 L N 1.623 122.854 121.223 0.013 0.000 2.263 327 L HA -0.129 4.211 4.340 -0.000 0.000 0.216 327 L C -0.690 176.153 176.870 -0.045 0.000 1.111 327 L CA 2.174 56.995 54.840 -0.032 0.000 0.773 327 L CB -1.539 40.461 42.059 -0.098 0.000 0.906 327 L HN 0.152 nan 8.230 nan 0.000 0.439 328 P HA -0.062 nan 4.420 nan 0.000 0.214 328 P C 1.980 179.254 177.300 -0.043 0.000 1.162 328 P CA 1.670 64.746 63.100 -0.039 0.000 0.874 328 P CB -0.139 31.541 31.700 -0.032 0.000 0.784 329 C N -0.890 118.378 119.300 -0.054 0.000 2.425 329 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 329 C C 2.671 177.615 174.990 -0.076 0.000 1.280 329 C CA 0.418 59.387 59.018 -0.082 0.000 1.744 329 C CB -1.793 25.869 27.740 -0.129 0.000 1.989 329 C HN 0.180 nan 8.230 nan 0.000 0.491 330 I N 1.141 121.679 120.570 -0.053 0.000 2.091 330 I HA -0.281 3.888 4.170 -0.000 0.000 0.239 330 I C 2.550 178.648 176.117 -0.032 0.000 1.061 330 I CA 1.747 63.026 61.300 -0.034 0.000 1.317 330 I CB -0.582 37.417 38.000 -0.001 0.000 1.031 330 I HN 0.387 nan 8.210 nan 0.000 0.401 331 K N 0.182 120.564 120.400 -0.030 0.000 2.228 331 K HA -0.228 4.092 4.320 -0.000 0.000 0.205 331 K C 2.036 178.619 176.600 -0.029 0.000 1.045 331 K CA 1.248 57.520 56.287 -0.026 0.000 0.931 331 K CB -0.116 32.371 32.500 -0.022 0.000 0.727 331 K HN 0.326 nan 8.250 nan 0.000 0.458 332 E N 0.805 120.982 120.200 -0.039 0.000 2.051 332 E HA -0.057 4.293 4.350 -0.000 0.000 0.189 332 E C 2.118 178.690 176.600 -0.046 0.000 0.979 332 E CA 0.709 57.083 56.400 -0.043 0.000 0.803 332 E CB -0.062 29.605 29.700 -0.054 0.000 0.761 332 E HN 0.267 nan 8.360 nan 0.000 0.451 333 L N 0.658 121.846 121.223 -0.057 0.000 2.042 333 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 333 L C 2.551 179.398 176.870 -0.039 0.000 1.076 333 L CA 0.834 55.639 54.840 -0.059 0.000 0.749 333 L CB -0.733 41.281 42.059 -0.075 0.000 0.893 333 L HN -0.011 nan 8.230 nan 0.000 0.432 334 V N -1.299 118.600 119.914 -0.025 0.000 2.439 334 V HA -0.290 3.829 4.120 -0.000 0.000 0.253 334 V C 1.635 177.722 176.094 -0.011 0.000 1.074 334 V CA 1.876 64.170 62.300 -0.010 0.000 1.076 334 V CB -0.574 31.248 31.823 -0.002 0.000 0.664 334 V HN 0.341 nan 8.190 nan 0.000 0.461 335 S N -0.621 115.068 115.700 -0.018 0.000 2.481 335 S HA 0.170 4.640 4.470 -0.000 0.000 0.243 335 S C 0.287 174.873 174.600 -0.023 0.000 1.152 335 S CA -0.394 57.796 58.200 -0.017 0.000 1.168 335 S CB -0.366 62.825 63.200 -0.016 0.000 0.835 335 S HN 0.595 nan 8.310 nan 0.000 0.474 336 D N 0.953 121.337 120.400 -0.027 0.000 2.451 336 D HA 0.455 5.095 4.640 -0.000 0.000 0.259 336 D C 0.950 177.235 176.300 -0.025 0.000 1.201 336 D CA -0.201 53.779 54.000 -0.033 0.000 1.028 336 D CB 1.448 42.223 40.800 -0.043 0.000 1.095 336 D HN 0.243 nan 8.370 nan 0.000 0.539 337 A N 1.167 123.970 122.820 -0.028 0.000 2.063 337 A HA 0.011 4.331 4.320 -0.000 0.000 0.211 337 A C 0.933 178.509 177.584 -0.014 0.000 1.177 337 A CA 0.131 52.156 52.037 -0.021 0.000 0.759 337 A CB -0.135 18.849 19.000 -0.028 0.000 0.857 337 A HN 0.532 nan 8.150 nan 0.000 0.468 338 N N 0.818 119.507 118.700 -0.020 0.000 2.415 338 N HA 0.203 4.942 4.740 -0.000 0.000 0.246 338 N C 0.822 176.363 175.510 0.051 0.000 1.078 338 N CA -0.052 52.996 53.050 -0.003 0.000 0.942 338 N CB 0.438 38.897 38.487 -0.046 0.000 1.140 338 N HN 0.388 nan 8.380 nan 0.000 0.501 339 Q N 1.758 121.619 119.800 0.102 0.000 2.103 339 Q HA -0.320 4.020 4.340 -0.000 0.000 0.213 339 Q C 0.727 176.788 176.000 0.101 0.000 1.008 339 Q CA 2.176 58.040 55.803 0.102 0.000 0.879 339 Q CB -0.434 28.370 28.738 0.111 0.000 0.946 339 Q HN 0.745 nan 8.270 nan 0.000 0.413 340 H N -0.660 118.386 119.070 -0.040 0.000 2.460 340 H HA -0.092 4.464 4.556 -0.000 0.000 0.297 340 H C 1.959 177.239 175.328 -0.079 0.000 1.103 340 H CA 1.375 57.397 56.048 -0.043 0.000 1.292 340 H CB -0.299 29.448 29.762 -0.024 0.000 1.376 340 H HN 0.066 nan 8.280 nan 0.000 0.531 341 V N 0.305 120.244 119.914 0.041 0.000 2.446 341 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 341 V C 2.113 178.169 176.094 -0.063 0.000 1.039 341 V CA 1.322 63.596 62.300 -0.044 0.000 1.045 341 V CB -0.173 31.619 31.823 -0.052 0.000 0.681 341 V HN 0.341 nan 8.190 nan 0.000 0.459 342 K N 0.203 120.583 120.400 -0.034 0.000 2.025 342 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 342 K C 2.511 179.083 176.600 -0.046 0.000 1.049 342 K CA 1.638 57.905 56.287 -0.033 0.000 0.933 342 K CB -0.440 32.050 32.500 -0.017 0.000 0.714 342 K HN 0.344 nan 8.250 nan 0.000 0.438 343 S N 0.498 116.165 115.700 -0.055 0.000 2.383 343 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 343 S C 1.936 176.483 174.600 -0.089 0.000 1.030 343 S CA 1.344 59.500 58.200 -0.073 0.000 1.002 343 S CB -0.149 62.985 63.200 -0.109 0.000 0.829 343 S HN 0.392 nan 8.310 nan 0.000 0.467 344 A N 1.504 124.232 122.820 -0.153 0.000 1.832 344 A HA 0.118 4.438 4.320 -0.000 0.000 0.214 344 A C 2.214 179.670 177.584 -0.213 0.000 1.204 344 A CA 1.339 53.179 52.037 -0.328 0.000 0.606 344 A CB -1.098 17.492 19.000 -0.683 0.000 0.849 344 A HN 0.623 nan 8.150 nan 0.000 0.445 345 L N -0.470 120.659 121.223 -0.156 0.000 2.127 345 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 345 L C 2.384 179.251 176.870 -0.005 0.000 1.089 345 L CA 1.898 56.702 54.840 -0.060 0.000 0.757 345 L CB -0.273 41.758 42.059 -0.046 0.000 0.899 345 L HN 0.324 nan 8.230 nan 0.000 0.434 346 A N -0.543 122.270 122.820 -0.012 0.000 2.172 346 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 346 A C 2.265 179.849 177.584 -0.000 0.000 1.154 346 A CA 1.220 53.265 52.037 0.013 0.000 0.701 346 A CB -0.655 18.348 19.000 0.004 0.000 0.789 346 A HN 0.699 nan 8.150 nan 0.000 0.465 347 S N -1.306 114.394 115.700 0.000 0.000 2.556 347 S HA 0.184 4.654 4.470 -0.000 0.000 0.216 347 S C 1.062 175.675 174.600 0.022 0.000 0.970 347 S CA 0.643 58.846 58.200 0.006 0.000 0.912 347 S CB 0.068 63.287 63.200 0.032 0.000 0.790 347 S HN 1.116 nan 8.310 nan 0.000 0.504 348 V N -2.323 117.616 119.914 0.041 0.000 3.359 348 V HA 0.496 4.616 4.120 -0.000 0.000 0.270 348 V C 0.715 176.849 176.094 0.067 0.000 1.583 348 V CA -0.498 61.836 62.300 0.056 0.000 1.019 348 V CB -0.574 31.308 31.823 0.100 0.000 0.831 348 V HN 0.422 nan 8.190 nan 0.000 0.426 352 L N 1.030 122.320 121.223 0.111 0.000 2.270 352 L HA 0.063 4.403 4.340 -0.000 0.000 0.210 352 L C 2.877 179.818 176.870 0.119 0.000 1.104 352 L CA 1.080 55.990 54.840 0.116 0.000 0.804 352 L CB -0.210 41.932 42.059 0.138 0.000 0.937 352 L HN 0.200 nan 8.230 nan 0.000 0.450 353 S N 0.921 116.717 115.700 0.160 0.000 2.380 353 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 353 S C -0.658 173.997 174.600 0.092 0.000 1.050 353 S CA 1.985 60.278 58.200 0.155 0.000 1.100 353 S CB -1.412 61.890 63.200 0.170 0.000 0.984 353 S HN 0.369 nan 8.310 nan 0.000 0.434 354 P HA 0.042 nan 4.420 nan 0.000 0.236 354 P C 0.743 178.065 177.300 0.037 0.000 1.172 354 P CA 0.869 63.994 63.100 0.043 0.000 0.759 354 P CB -0.267 31.450 31.700 0.028 0.000 0.843 355 I N -1.440 119.157 120.570 0.045 0.000 3.039 355 I HA 0.004 4.173 4.170 -0.000 0.000 0.270 355 I C 2.182 178.320 176.117 0.035 0.000 1.150 355 I CA 0.422 61.742 61.300 0.033 0.000 1.448 355 I CB -0.226 37.794 38.000 0.032 0.000 1.197 355 I HN -0.203 nan 8.210 nan 0.000 0.450 356 L N 1.067 122.320 121.223 0.050 0.000 2.558 356 L HA 0.331 4.671 4.340 -0.000 0.000 0.225 356 L C 0.959 177.862 176.870 0.056 0.000 1.128 356 L CA 0.111 54.982 54.840 0.052 0.000 0.868 356 L CB -0.867 41.230 42.059 0.064 0.000 1.006 356 L HN 0.382 nan 8.230 nan 0.000 0.454 357 G N 1.148 109.979 108.800 0.053 0.000 2.785 357 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.685 357 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.685 357 G C 0.434 175.365 174.900 0.052 0.000 1.480 357 G CA 0.177 45.305 45.100 0.047 0.000 0.915 357 G HN 0.253 nan 8.290 nan 0.000 0.576 358 K N -0.031 120.396 120.400 0.045 0.000 2.090 358 K HA -0.286 4.034 4.320 -0.000 0.000 0.218 358 K C 1.851 178.474 176.600 0.038 0.000 1.055 358 K CA 2.904 59.217 56.287 0.043 0.000 0.941 358 K CB -0.262 32.258 32.500 0.033 0.000 0.722 358 K HN 0.636 nan 8.250 nan 0.000 0.458 359 D N 0.019 120.439 120.400 0.032 0.000 2.098 359 D HA -0.164 4.476 4.640 -0.000 0.000 0.207 359 D C 1.746 178.059 176.300 0.022 0.000 0.979 359 D CA 1.161 55.174 54.000 0.021 0.000 0.878 359 D CB -0.726 40.087 40.800 0.022 0.000 1.028 359 D HN 0.308 nan 8.370 nan 0.000 0.452 360 N N 0.515 119.252 118.700 0.062 0.000 2.111 360 N HA -0.166 4.574 4.740 -0.000 0.000 0.197 360 N C 1.845 177.420 175.510 0.108 0.000 1.011 360 N CA 1.542 54.680 53.050 0.148 0.000 0.880 360 N CB -0.749 37.856 38.487 0.197 0.000 1.031 360 N HN 0.221 nan 8.380 nan 0.000 0.444 361 T N 1.803 116.400 114.554 0.073 0.000 2.737 361 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 361 T C 2.045 176.736 174.700 -0.015 0.000 1.040 361 T CA 0.952 63.084 62.100 0.053 0.000 1.142 361 T CB -0.089 68.840 68.868 0.102 0.000 0.861 361 T HN 0.304 nan 8.240 nan 0.000 0.456 362 I N 0.305 120.865 120.570 -0.017 0.000 2.480 362 I HA 0.025 4.195 4.170 -0.000 0.000 0.251 362 I C 2.620 178.668 176.117 -0.115 0.000 1.124 362 I CA 0.934 62.207 61.300 -0.045 0.000 1.444 362 I CB -0.394 37.597 38.000 -0.015 0.000 1.098 362 I HN 0.256 nan 8.210 nan 0.000 0.428 363 E N 0.431 120.522 120.200 -0.181 0.000 2.152 363 E HA -0.165 4.184 4.350 -0.000 0.000 0.192 363 E C 1.860 178.168 176.600 -0.488 0.000 0.983 363 E CA 1.017 57.204 56.400 -0.355 0.000 0.818 363 E CB 0.269 29.675 29.700 -0.490 0.000 0.758 363 E HN 0.571 nan 8.360 nan 0.000 0.467 364 H N -0.652 118.366 119.070 -0.086 0.000 2.249 364 H HA 0.101 4.657 4.556 -0.000 0.000 0.261 364 H C 2.341 177.547 175.328 -0.204 0.000 0.976 364 H CA 0.416 56.397 56.048 -0.111 0.000 1.322 364 H CB -0.311 29.405 29.762 -0.077 0.000 1.418 364 H HN 0.078 nan 8.280 nan 0.000 0.561 365 L N 0.806 121.954 121.223 -0.125 0.000 2.046 365 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 365 L C 2.618 178.845 176.870 -1.072 0.000 1.077 365 L CA 0.645 55.191 54.840 -0.490 0.000 0.747 365 L CB -0.500 41.328 42.059 -0.386 0.000 0.896 365 L HN 0.062 nan 8.230 nan 0.000 0.432 366 L N 0.750 121.528 121.223 -0.741 0.000 2.043 366 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 366 L C -0.302 176.366 176.870 -0.336 0.000 1.075 366 L CA 2.267 56.782 54.840 -0.541 0.000 0.752 366 L CB -1.493 40.501 42.059 -0.108 0.000 0.891 366 L HN 0.076 nan 8.230 nan 0.000 0.432 367 P HA -0.180 nan 4.420 nan 0.000 0.215 367 P C 2.058 179.299 177.300 -0.098 0.000 1.153 367 P CA 1.501 64.531 63.100 -0.117 0.000 0.853 367 P CB -0.043 31.599 31.700 -0.096 0.000 0.788 368 L N -2.301 118.812 121.223 -0.183 0.000 2.046 368 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 368 L C 2.460 179.368 176.870 0.064 0.000 1.077 368 L CA 1.564 56.352 54.840 -0.086 0.000 0.747 368 L CB -1.182 40.802 42.059 -0.124 0.000 0.896 368 L HN -0.026 nan 8.230 nan 0.000 0.432 369 F N -0.501 119.458 119.950 0.015 0.000 2.154 369 F HA -0.299 4.227 4.527 -0.000 0.000 0.301 369 F C 2.423 178.231 175.800 0.013 0.000 1.087 369 F CA 0.353 58.359 58.000 0.011 0.000 1.274 369 F CB -0.204 38.803 39.000 0.012 0.000 1.009 369 F HN 0.088 nan 8.300 nan 0.000 0.485 370 L N 0.122 121.455 121.223 0.182 0.000 2.027 370 L HA -0.141 4.198 4.340 -0.000 0.000 0.206 370 L C 2.817 179.735 176.870 0.079 0.000 1.074 370 L CA 1.755 56.661 54.840 0.111 0.000 0.745 370 L CB -1.959 40.142 42.059 0.070 0.000 0.898 370 L HN 0.084 nan 8.230 nan 0.000 0.433 371 A N -0.354 122.502 122.820 0.060 0.000 1.903 371 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 371 A C 2.230 179.843 177.584 0.049 0.000 1.191 371 A CA 2.135 54.197 52.037 0.042 0.000 0.638 371 A CB -0.524 18.492 19.000 0.027 0.000 0.823 371 A HN 0.557 nan 8.150 nan 0.000 0.451 372 Q N -1.242 118.600 119.800 0.070 0.000 2.049 372 Q HA -0.001 4.338 4.340 -0.000 0.000 0.198 372 Q C 1.947 177.978 176.000 0.051 0.000 0.971 372 Q CA 0.877 56.714 55.803 0.057 0.000 0.833 372 Q CB -0.277 28.505 28.738 0.073 0.000 0.896 372 Q HN 0.437 nan 8.270 nan 0.000 0.434 373 L N 1.187 122.452 121.223 0.070 0.000 2.197 373 L HA -0.215 4.125 4.340 -0.000 0.000 0.215 373 L C 1.158 178.058 176.870 0.050 0.000 1.095 373 L CA 1.911 56.787 54.840 0.059 0.000 0.764 373 L CB -0.331 41.777 42.059 0.081 0.000 0.897 373 L HN 0.198 nan 8.230 nan 0.000 0.436 374 K N -1.392 119.036 120.400 0.047 0.000 2.387 374 K HA 0.081 4.401 4.320 -0.000 0.000 0.203 374 K C 0.445 177.063 176.600 0.029 0.000 1.030 374 K CA -0.387 55.924 56.287 0.040 0.000 1.099 374 K CB 0.751 33.276 32.500 0.041 0.000 0.863 374 K HN 0.178 nan 8.250 nan 0.000 0.529 375 D N 1.330 121.745 120.400 0.024 0.000 2.362 375 D HA -0.058 4.582 4.640 -0.000 0.000 0.238 375 D C 0.499 176.806 176.300 0.011 0.000 1.212 375 D CA 0.552 54.562 54.000 0.016 0.000 0.902 375 D CB 1.124 41.931 40.800 0.010 0.000 1.180 375 D HN 0.011 nan 8.370 nan 0.000 0.445 376 E N 0.383 120.588 120.200 0.008 0.000 2.046 376 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 376 E C 0.779 177.378 176.600 -0.001 0.000 0.982 376 E CA 0.371 56.775 56.400 0.007 0.000 0.800 376 E CB -0.276 29.429 29.700 0.008 0.000 0.756 376 E HN 0.344 nan 8.360 nan 0.000 0.449 377 C N 3.111 122.407 119.300 -0.008 0.000 2.677 377 C HA 0.058 4.518 4.460 -0.000 0.000 0.398 377 C C -1.259 173.710 174.990 -0.035 0.000 1.378 377 C CA -1.688 57.317 59.018 -0.022 0.000 1.543 377 C CB -0.194 27.530 27.740 -0.026 0.000 2.356 377 C HN 0.228 nan 8.230 nan 0.000 0.609 378 P HA -0.190 nan 4.420 nan 0.000 0.218 378 P C 1.329 178.587 177.300 -0.071 0.000 1.152 378 P CA 1.720 64.786 63.100 -0.058 0.000 0.857 378 P CB 0.102 31.757 31.700 -0.075 0.000 0.787 379 E N -0.490 119.662 120.200 -0.080 0.000 2.007 379 E HA -0.124 4.225 4.350 -0.000 0.000 0.194 379 E C 2.206 178.766 176.600 -0.067 0.000 0.999 379 E CA 1.084 57.431 56.400 -0.088 0.000 0.811 379 E CB -1.664 27.966 29.700 -0.117 0.000 0.762 379 E HN 0.081 nan 8.360 nan 0.000 0.450 380 V N 1.840 121.721 119.914 -0.055 0.000 2.317 380 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 380 V C 2.488 178.567 176.094 -0.025 0.000 1.065 380 V CA 2.189 64.467 62.300 -0.036 0.000 1.049 380 V CB -0.601 31.209 31.823 -0.023 0.000 0.651 380 V HN 0.185 nan 8.190 nan 0.000 0.450 381 R N -0.822 119.663 120.500 -0.025 0.000 2.082 381 R HA -0.120 4.220 4.340 -0.000 0.000 0.228 381 R C 2.330 178.611 176.300 -0.032 0.000 1.140 381 R CA 1.720 57.811 56.100 -0.016 0.000 0.920 381 R CB -0.782 29.512 30.300 -0.010 0.000 0.828 381 R HN 0.331 nan 8.270 nan 0.000 0.430 382 L N 1.774 122.968 121.223 -0.049 0.000 2.054 382 L HA -0.303 4.037 4.340 -0.000 0.000 0.220 382 L C 1.597 178.429 176.870 -0.064 0.000 1.081 382 L CA 1.939 56.739 54.840 -0.065 0.000 0.780 382 L CB -0.646 41.359 42.059 -0.090 0.000 0.893 382 L HN 0.197 nan 8.230 nan 0.000 0.438 383 N N -1.410 117.256 118.700 -0.057 0.000 2.381 383 N HA -0.132 4.608 4.740 -0.000 0.000 0.182 383 N C 1.675 177.148 175.510 -0.062 0.000 1.025 383 N CA 0.933 53.952 53.050 -0.052 0.000 0.888 383 N CB -0.136 38.328 38.487 -0.038 0.000 0.965 383 N HN 0.324 nan 8.380 nan 0.000 0.438 384 I N 0.508 121.042 120.570 -0.061 0.000 2.429 384 I HA -0.002 4.168 4.170 -0.000 0.000 0.247 384 I C 1.550 177.591 176.117 -0.126 0.000 1.099 384 I CA 0.479 61.727 61.300 -0.086 0.000 1.422 384 I CB -0.428 37.548 38.000 -0.040 0.000 1.112 384 I HN -0.018 nan 8.210 nan 0.000 0.430 385 I N 1.493 122.011 120.570 -0.087 0.000 2.300 385 I HA -0.315 3.855 4.170 -0.000 0.000 0.252 385 I C 2.627 178.646 176.117 -0.163 0.000 1.119 385 I CA 1.848 63.094 61.300 -0.089 0.000 1.384 385 I CB -1.482 36.500 38.000 -0.030 0.000 1.062 385 I HN 0.309 nan 8.210 nan 0.000 0.426 386 S N 0.656 116.270 115.700 -0.144 0.000 2.474 386 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 386 S C 1.162 175.635 174.600 -0.213 0.000 0.997 386 S CA 0.744 58.850 58.200 -0.155 0.000 0.949 386 S CB -0.351 62.788 63.200 -0.102 0.000 0.766 386 S HN 0.497 nan 8.310 nan 0.000 0.517 387 N N 0.799 119.345 118.700 -0.256 0.000 2.338 387 N HA 0.350 5.090 4.740 -0.000 0.000 0.251 387 N C 0.603 175.902 175.510 -0.352 0.000 1.199 387 N CA -0.024 52.867 53.050 -0.265 0.000 0.879 387 N CB 0.564 38.926 38.487 -0.208 0.000 1.159 387 N HN 0.401 nan 8.380 nan 0.000 0.514 388 L N 0.116 121.024 121.223 -0.525 0.000 2.313 388 L HA -0.024 4.316 4.340 -0.000 0.000 0.214 388 L C 1.041 177.601 176.870 -0.516 0.000 1.119 388 L CA 0.672 55.154 54.840 -0.595 0.000 0.809 388 L CB -0.193 41.344 42.059 -0.869 0.000 0.933 388 L HN -0.085 nan 8.230 nan 0.000 0.449 389 D N -0.380 119.700 120.400 -0.533 0.000 2.322 389 D HA -0.198 4.441 4.640 -0.000 0.000 0.210 389 D C 1.690 177.952 176.300 -0.063 0.000 0.983 389 D CA 0.891 54.807 54.000 -0.140 0.000 0.902 389 D CB -0.327 40.425 40.800 -0.081 0.000 0.905 389 D HN 0.374 nan 8.370 nan 0.000 0.483 390 C N -0.666 118.558 119.300 -0.127 0.000 4.983 390 C HA 0.078 4.538 4.460 -0.000 0.000 0.146 390 C C 2.448 177.406 174.990 -0.052 0.000 2.178 390 C CA 1.149 60.119 59.018 -0.080 0.000 1.519 390 C CB -0.336 27.341 27.740 -0.104 0.000 2.118 390 C HN 0.262 nan 8.230 nan 0.000 0.318 391 V N 2.824 122.697 119.914 -0.068 0.000 2.512 391 V HA -0.482 3.638 4.120 -0.000 0.000 0.177 391 V C 1.606 177.718 176.094 0.029 0.000 1.038 391 V CA 3.389 65.682 62.300 -0.012 0.000 1.302 391 V CB -2.696 29.111 31.823 -0.026 0.000 1.129 391 V HN 0.921 nan 8.190 nan 0.000 0.483 392 N N 1.700 120.421 118.700 0.034 0.000 2.580 392 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 392 N C 1.269 176.799 175.510 0.034 0.000 1.075 392 N CA 2.015 55.092 53.050 0.045 0.000 0.921 392 N CB -0.726 37.794 38.487 0.055 0.000 0.950 392 N HN 0.851 nan 8.380 nan 0.000 0.449 393 E N -0.730 119.485 120.200 0.025 0.000 2.479 393 E HA 0.094 4.444 4.350 -0.000 0.000 0.193 393 E C 0.444 177.060 176.600 0.027 0.000 1.049 393 E CA -0.009 56.404 56.400 0.021 0.000 0.870 393 E CB 0.460 30.167 29.700 0.012 0.000 0.944 393 E HN 0.351 nan 8.360 nan 0.000 0.492 394 V N 0.427 120.364 119.914 0.037 0.000 3.914 394 V HA 0.099 4.219 4.120 -0.000 0.000 0.187 394 V C 0.970 177.094 176.094 0.051 0.000 1.258 394 V CA -0.204 62.123 62.300 0.047 0.000 1.298 394 V CB -0.059 31.802 31.823 0.063 0.000 1.453 394 V HN 0.184 nan 8.190 nan 0.000 0.553 395 I N 1.318 121.927 120.570 0.065 0.000 2.938 395 I HA 0.584 4.754 4.170 -0.000 0.000 0.285 395 I C 0.742 176.889 176.117 0.050 0.000 1.182 395 I CA 0.149 61.486 61.300 0.063 0.000 1.388 395 I CB 0.300 38.351 38.000 0.085 0.000 1.390 395 I HN 0.268 nan 8.210 nan 0.000 0.600 396 G N 3.587 112.413 108.800 0.044 0.000 2.441 396 G HA2 0.173 4.133 3.960 -0.000 0.000 0.243 396 G HA3 0.173 4.133 3.960 -0.000 0.000 0.243 396 G C 0.476 175.400 174.900 0.040 0.000 1.281 396 G CA -0.432 44.691 45.100 0.038 0.000 0.854 396 G HN 0.870 nan 8.290 nan 0.000 0.560 397 I N 1.550 122.140 120.570 0.034 0.000 2.502 397 I HA -0.215 3.955 4.170 -0.000 0.000 0.258 397 I C 2.672 178.806 176.117 0.028 0.000 1.172 397 I CA 1.412 62.728 61.300 0.028 0.000 1.430 397 I CB -0.068 37.943 38.000 0.018 0.000 1.086 397 I HN 0.721 nan 8.210 nan 0.000 0.440 398 R N -0.717 119.806 120.500 0.039 0.000 2.066 398 R HA -0.055 4.285 4.340 -0.000 0.000 0.224 398 R C 1.989 178.322 176.300 0.055 0.000 1.122 398 R CA 0.631 56.762 56.100 0.052 0.000 0.974 398 R CB -1.179 29.153 30.300 0.053 0.000 0.871 398 R HN 0.304 nan 8.270 nan 0.000 0.435 399 Q N 1.222 121.052 119.800 0.050 0.000 2.197 399 Q HA -0.147 4.193 4.340 -0.000 0.000 0.207 399 Q C 2.083 178.121 176.000 0.063 0.000 0.984 399 Q CA 1.345 57.179 55.803 0.053 0.000 0.869 399 Q CB -0.292 28.476 28.738 0.049 0.000 0.906 399 Q HN 0.314 nan 8.270 nan 0.000 0.426 400 L N 0.535 121.795 121.223 0.062 0.000 1.961 400 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 400 L C 2.090 178.996 176.870 0.060 0.000 1.075 400 L CA 2.305 57.187 54.840 0.070 0.000 0.749 400 L CB -0.874 41.224 42.059 0.065 0.000 0.890 400 L HN 0.212 nan 8.230 nan 0.000 0.433 401 S N -1.473 114.245 115.700 0.031 0.000 2.571 401 S HA -0.219 4.251 4.470 -0.000 0.000 0.245 401 S C 1.640 176.302 174.600 0.102 0.000 0.976 401 S CA 1.344 59.558 58.200 0.023 0.000 0.954 401 S CB -0.499 62.673 63.200 -0.047 0.000 0.756 401 S HN 0.724 nan 8.310 nan 0.000 0.535 402 Q N 1.119 120.972 119.800 0.089 0.000 2.581 402 Q HA 0.088 4.428 4.340 -0.000 0.000 0.222 402 Q C 1.274 177.320 176.000 0.076 0.000 0.904 402 Q CA 0.884 56.740 55.803 0.089 0.000 0.923 402 Q CB 0.283 29.065 28.738 0.073 0.000 1.117 402 Q HN 0.664 nan 8.270 nan 0.000 0.618 403 S N -0.660 115.083 115.700 0.071 0.000 2.574 403 S HA 0.255 4.724 4.470 -0.000 0.000 0.242 403 S C 0.626 175.277 174.600 0.085 0.000 0.982 403 S CA -0.300 57.941 58.200 0.068 0.000 0.977 403 S CB 1.029 64.262 63.200 0.055 0.000 0.814 403 S HN 0.334 nan 8.310 nan 0.000 0.464 404 L N -0.259 121.020 121.223 0.093 0.000 2.481 404 L HA 0.400 4.740 4.340 -0.000 0.000 0.253 404 L C 1.342 178.277 176.870 0.108 0.000 1.071 404 L CA 0.342 55.248 54.840 0.108 0.000 1.189 404 L CB -0.298 41.834 42.059 0.122 0.000 2.356 404 L HN 0.319 nan 8.230 nan 0.000 0.545 405 L N 1.674 122.955 121.223 0.097 0.000 2.079 405 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 405 L C -0.724 176.206 176.870 0.100 0.000 1.081 405 L CA 2.201 57.094 54.840 0.088 0.000 0.752 405 L CB -1.552 40.541 42.059 0.056 0.000 0.896 405 L HN 0.152 nan 8.230 nan 0.000 0.433 406 P HA -0.137 nan 4.420 nan 0.000 0.214 406 P C 1.757 179.110 177.300 0.087 0.000 1.163 406 P CA 2.169 65.322 63.100 0.089 0.000 0.883 406 P CB -0.099 31.647 31.700 0.077 0.000 0.788 407 A N -0.313 122.561 122.820 0.089 0.000 1.851 407 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 407 A C 2.255 179.903 177.584 0.107 0.000 1.195 407 A CA 1.779 53.870 52.037 0.091 0.000 0.622 407 A CB -1.775 17.279 19.000 0.091 0.000 0.831 407 A HN 0.077 nan 8.150 nan 0.000 0.444 408 I N -0.127 120.517 120.570 0.123 0.000 2.236 408 I HA -0.285 3.884 4.170 -0.000 0.000 0.249 408 I C 2.246 178.453 176.117 0.151 0.000 1.102 408 I CA 1.432 62.823 61.300 0.152 0.000 1.365 408 I CB -0.353 37.752 38.000 0.174 0.000 1.051 408 I HN 0.176 nan 8.210 nan 0.000 0.420 409 V N 0.240 120.227 119.914 0.121 0.000 2.548 409 V HA -0.242 3.877 4.120 -0.000 0.000 0.249 409 V C 2.343 178.502 176.094 0.108 0.000 1.055 409 V CA 1.840 64.204 62.300 0.106 0.000 1.065 409 V CB -0.443 31.428 31.823 0.081 0.000 0.681 409 V HN 0.423 nan 8.190 nan 0.000 0.462 410 E N -0.321 119.941 120.200 0.104 0.000 2.122 410 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 410 E C 2.144 178.817 176.600 0.122 0.000 0.977 410 E CA 0.499 56.958 56.400 0.098 0.000 0.820 410 E CB 0.026 29.774 29.700 0.080 0.000 0.770 410 E HN 0.265 nan 8.360 nan 0.000 0.462 411 L N 0.840 122.141 121.223 0.131 0.000 2.079 411 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 411 L C 2.353 179.336 176.870 0.188 0.000 1.081 411 L CA 1.826 56.747 54.840 0.136 0.000 0.752 411 L CB -1.586 40.548 42.059 0.125 0.000 0.896 411 L HN 0.207 nan 8.230 nan 0.000 0.433 412 A N -0.942 122.037 122.820 0.264 0.000 2.266 412 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 412 A C 1.085 178.956 177.584 0.477 0.000 1.178 412 A CA 1.480 53.797 52.037 0.467 0.000 0.678 412 A CB -0.431 18.889 19.000 0.533 0.000 0.789 412 A HN 0.601 nan 8.150 nan 0.000 0.486 413 E N -0.026 120.345 120.200 0.285 0.000 3.844 413 E HA 0.044 4.394 4.350 -0.000 0.000 0.260 413 E C -1.325 175.377 176.600 0.169 0.000 1.163 413 E CA -0.220 56.329 56.400 0.249 0.000 1.261 413 E CB 0.351 30.188 29.700 0.228 0.000 1.261 413 E HN 0.811 nan 8.360 nan 0.000 0.399 414 D N -0.766 119.721 120.400 0.145 0.000 2.478 414 D HA 0.386 5.026 4.640 -0.000 0.000 0.263 414 D C 1.019 177.388 176.300 0.116 0.000 1.153 414 D CA -0.295 53.771 54.000 0.109 0.000 1.038 414 D CB 1.494 42.343 40.800 0.082 0.000 1.120 414 D HN 0.036 nan 8.370 nan 0.000 0.564 415 A N 0.841 123.719 122.820 0.096 0.000 1.829 415 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 415 A C 0.976 178.632 177.584 0.120 0.000 1.207 415 A CA 1.064 53.165 52.037 0.106 0.000 0.622 415 A CB -0.729 18.318 19.000 0.079 0.000 0.846 415 A HN 0.529 nan 8.150 nan 0.000 0.447 416 K N 2.061 122.500 120.400 0.064 0.000 2.320 416 K HA -0.109 4.211 4.320 -0.000 0.000 0.273 416 K C 1.054 177.648 176.600 -0.011 0.000 1.146 416 K CA 0.232 56.522 56.287 0.005 0.000 1.144 416 K CB -0.532 31.925 32.500 -0.071 0.000 0.878 416 K HN 0.859 nan 8.250 nan 0.000 0.458 417 W N 5.101 126.413 121.300 0.021 0.000 2.331 417 W HA -0.254 4.406 4.660 -0.000 0.000 0.291 417 W C 0.770 177.275 176.519 -0.022 0.000 1.214 417 W CA 0.596 57.944 57.345 0.005 0.000 1.228 417 W CB -0.543 28.927 29.460 0.017 0.000 1.135 417 W HN 0.423 nan 8.180 nan 0.000 0.537 418 R N 0.802 120.694 120.500 -1.013 0.000 2.193 418 R HA -0.085 4.254 4.340 -0.000 0.000 0.229 418 R C 2.197 178.295 176.300 -0.336 0.000 1.110 418 R CA 1.571 57.117 56.100 -0.923 0.000 0.988 418 R CB -0.530 29.222 30.300 -0.913 0.000 0.871 418 R HN 0.215 nan 8.270 nan 0.000 0.458 419 V N 0.619 120.405 119.914 -0.212 0.000 2.599 419 V HA -0.097 4.022 4.120 -0.000 0.000 0.245 419 V C 2.310 178.379 176.094 -0.041 0.000 1.046 419 V CA 1.128 63.369 62.300 -0.098 0.000 1.065 419 V CB -0.387 31.401 31.823 -0.060 0.000 0.703 419 V HN 0.231 nan 8.190 nan 0.000 0.464 420 R N -0.234 120.265 120.500 -0.001 0.000 2.091 420 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 420 R C 2.264 178.453 176.300 -0.185 0.000 1.136 420 R CA 1.695 57.782 56.100 -0.022 0.000 0.959 420 R CB -0.703 29.616 30.300 0.032 0.000 0.856 420 R HN 0.366 nan 8.270 nan 0.000 0.437 421 L N 1.053 122.215 121.223 -0.103 0.000 1.971 421 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 421 L C 2.305 179.096 176.870 -0.132 0.000 1.072 421 L CA 2.216 56.984 54.840 -0.120 0.000 0.758 421 L CB -1.048 41.039 42.059 0.046 0.000 0.889 421 L HN 0.173 nan 8.230 nan 0.000 0.433 422 A N -0.465 122.305 122.820 -0.083 0.000 2.009 422 A HA -0.249 4.070 4.320 -0.000 0.000 0.222 422 A C 2.168 179.755 177.584 0.005 0.000 1.175 422 A CA 2.286 54.297 52.037 -0.045 0.000 0.651 422 A CB -0.839 18.133 19.000 -0.047 0.000 0.815 422 A HN 0.538 nan 8.150 nan 0.000 0.459 423 I N -0.527 120.034 120.570 -0.016 0.000 2.296 423 I HA -0.091 4.079 4.170 -0.000 0.000 0.242 423 I C 2.385 178.488 176.117 -0.023 0.000 1.087 423 I CA 0.821 62.165 61.300 0.073 0.000 1.393 423 I CB -1.258 36.830 38.000 0.146 0.000 1.093 423 I HN 0.292 nan 8.210 nan 0.000 0.421 424 I N 0.952 121.281 120.570 -0.402 0.000 2.381 424 I HA -0.313 3.857 4.170 -0.000 0.000 0.255 424 I C 2.340 178.376 176.117 -0.136 0.000 1.140 424 I CA 1.377 62.326 61.300 -0.585 0.000 1.404 424 I CB -0.360 37.106 38.000 -0.889 0.000 1.075 424 I HN 0.354 nan 8.210 nan 0.000 0.433 425 E N -0.132 120.027 120.200 -0.069 0.000 2.060 425 E HA -0.130 4.219 4.350 -0.000 0.000 0.189 425 E C 0.877 177.531 176.600 0.090 0.000 0.974 425 E CA 0.399 56.804 56.400 0.008 0.000 0.808 425 E CB -0.159 29.544 29.700 0.005 0.000 0.768 425 E HN 0.350 nan 8.360 nan 0.000 0.453 429 L N 0.059 121.207 121.223 -0.125 0.000 2.084 429 L HA 0.095 4.435 4.340 -0.000 0.000 0.202 429 L C 2.433 179.220 176.870 -0.139 0.000 1.074 429 L CA 0.724 55.519 54.840 -0.076 0.000 0.757 429 L CB -0.469 41.645 42.059 0.092 0.000 0.918 429 L HN -0.061 nan 8.230 nan 0.000 0.444 430 L N -0.085 120.942 121.223 -0.327 0.000 2.013 430 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 430 L C 2.846 179.619 176.870 -0.162 0.000 1.073 430 L CA 1.378 56.022 54.840 -0.326 0.000 0.753 430 L CB -0.543 41.195 42.059 -0.534 0.000 0.890 430 L HN 0.297 nan 8.230 nan 0.000 0.432 431 A N 0.139 122.890 122.820 -0.114 0.000 1.842 431 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 431 A C 2.352 179.961 177.584 0.042 0.000 1.206 431 A CA 2.072 54.104 52.037 -0.009 0.000 0.630 431 A CB -1.609 17.254 19.000 -0.229 0.000 0.839 431 A HN 0.463 nan 8.150 nan 0.000 0.447 432 G N -0.855 107.898 108.800 -0.078 0.000 2.574 432 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.220 432 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.220 432 G C 1.604 176.509 174.900 0.010 0.000 1.173 432 G CA 1.364 46.441 45.100 -0.038 0.000 0.772 432 G HN 0.715 nan 8.290 nan 0.000 0.585 433 Q N -0.156 119.628 119.800 -0.026 0.000 2.084 433 Q HA 0.079 4.419 4.340 -0.000 0.000 0.202 433 Q C 2.717 178.699 176.000 -0.030 0.000 0.978 433 Q CA 0.927 56.719 55.803 -0.019 0.000 0.844 433 Q CB -0.309 28.419 28.738 -0.017 0.000 0.898 433 Q HN 0.435 nan 8.270 nan 0.000 0.426 434 L N -0.203 120.972 121.223 -0.080 0.000 2.131 434 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 434 L C 0.836 177.698 176.870 -0.013 0.000 1.092 434 L CA 0.783 55.530 54.840 -0.155 0.000 0.759 434 L CB -0.545 41.256 42.059 -0.430 0.000 0.903 434 L HN 0.424 nan 8.230 nan 0.000 0.435 435 G N -1.302 107.522 108.800 0.041 0.000 2.784 435 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 435 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 435 G C 0.102 174.994 174.900 -0.015 0.000 1.156 435 G CA -0.308 44.819 45.100 0.044 0.000 0.757 435 G HN -0.122 nan 8.290 nan 0.000 0.642 436 V N 1.599 121.321 119.914 -0.320 0.000 2.392 436 V HA -0.169 3.951 4.120 -0.000 0.000 0.249 436 V C 2.751 178.713 176.094 -0.221 0.000 1.059 436 V CA 3.188 65.022 62.300 -0.776 0.000 1.051 436 V CB -0.230 30.778 31.823 -1.358 0.000 0.658 436 V HN 1.086 nan 8.190 nan 0.000 0.455 437 E N 0.051 120.196 120.200 -0.092 0.000 2.077 437 E HA -0.287 4.062 4.350 -0.000 0.000 0.193 437 E C 2.135 178.775 176.600 0.067 0.000 0.989 437 E CA 2.071 58.468 56.400 -0.007 0.000 0.800 437 E CB -1.313 28.382 29.700 -0.009 0.000 0.746 437 E HN 0.610 nan 8.360 nan 0.000 0.452 438 F N 1.214 121.148 119.950 -0.027 0.000 2.134 438 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 438 F C 2.159 177.959 175.800 0.000 0.000 1.097 438 F CA 0.982 58.977 58.000 -0.007 0.000 1.264 438 F CB -0.620 38.389 39.000 0.016 0.000 1.001 438 F HN 0.036 nan 8.300 nan 0.000 0.479 439 F N 1.478 121.590 119.950 0.270 0.000 2.051 439 F HA -0.206 4.321 4.527 -0.000 0.000 0.296 439 F C 2.398 178.274 175.800 0.126 0.000 1.122 439 F CA 2.252 60.360 58.000 0.179 0.000 1.201 439 F CB -0.877 38.142 39.000 0.032 0.000 0.978 439 F HN -0.102 nan 8.300 nan 0.000 0.472 440 D N 0.146 120.634 120.400 0.146 0.000 2.271 440 D HA -0.211 4.429 4.640 -0.000 0.000 0.207 440 D C 1.940 178.194 176.300 -0.077 0.000 0.983 440 D CA 1.417 55.466 54.000 0.082 0.000 0.878 440 D CB -0.208 40.702 40.800 0.184 0.000 0.920 440 D HN 0.577 nan 8.370 nan 0.000 0.479 441 E N 0.182 120.319 120.200 -0.105 0.000 2.033 441 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 441 E C 0.618 177.104 176.600 -0.190 0.000 0.960 441 E CA 0.370 56.678 56.400 -0.153 0.000 0.842 441 E CB 0.417 29.997 29.700 -0.200 0.000 0.816 441 E HN -0.152 nan 8.360 nan 0.000 0.468 442 K N 0.441 120.713 120.400 -0.213 0.000 2.675 442 K HA 0.173 4.493 4.320 -0.000 0.000 0.213 442 K C 0.187 176.732 176.600 -0.091 0.000 1.074 442 K CA 0.048 56.241 56.287 -0.157 0.000 1.172 442 K CB 1.222 33.611 32.500 -0.184 0.000 0.927 442 K HN 0.138 nan 8.250 nan 0.000 0.471 443 L N -0.672 120.401 121.223 -0.250 0.000 3.337 443 L HA 0.132 4.472 4.340 -0.000 0.000 0.313 443 L C 1.511 177.983 176.870 -0.663 0.000 1.071 443 L CA 0.520 55.148 54.840 -0.354 0.000 1.192 443 L CB 0.137 42.054 42.059 -0.237 0.000 1.895 443 L HN 0.055 nan 8.230 nan 0.000 0.596 444 N N 0.023 118.192 118.700 -0.886 0.000 2.104 444 N HA -0.227 4.513 4.740 -0.000 0.000 0.190 444 N C 1.865 177.208 175.510 -0.279 0.000 1.024 444 N CA 2.004 54.681 53.050 -0.622 0.000 0.853 444 N CB -0.020 38.269 38.487 -0.330 0.000 1.008 444 N HN 0.428 nan 8.380 nan 0.000 0.424 445 S N -0.502 115.046 115.700 -0.254 0.000 2.420 445 S HA -0.156 4.314 4.470 -0.000 0.000 0.237 445 S C 1.821 176.267 174.600 -0.255 0.000 1.023 445 S CA 0.927 59.010 58.200 -0.196 0.000 0.991 445 S CB -0.549 62.553 63.200 -0.162 0.000 0.792 445 S HN 0.222 nan 8.310 nan 0.000 0.488 446 L N 1.585 122.591 121.223 -0.361 0.000 1.993 446 L HA 0.147 4.486 4.340 -0.000 0.000 0.206 446 L C 2.197 178.550 176.870 -0.861 0.000 1.074 446 L CA 0.505 54.971 54.840 -0.624 0.000 0.746 446 L CB -1.409 40.251 42.059 -0.664 0.000 0.896 446 L HN 0.407 nan 8.230 nan 0.000 0.435 450 W N 0.721 122.035 121.300 0.024 0.000 2.304 450 W HA -0.145 4.514 4.660 -0.000 0.000 0.315 450 W C 1.748 178.255 176.519 -0.020 0.000 1.233 450 W CA 1.527 58.880 57.345 0.013 0.000 1.261 450 W CB -1.191 28.290 29.460 0.035 0.000 1.150 450 W HN 0.353 nan 8.180 nan 0.000 0.494 451 L N -0.372 120.986 121.223 0.225 0.000 2.357 451 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 451 L C 0.728 177.618 176.870 0.033 0.000 1.123 451 L CA 1.404 56.305 54.840 0.102 0.000 0.782 451 L CB -0.762 41.346 42.059 0.083 0.000 0.910 451 L HN -0.297 nan 8.230 nan 0.000 0.442 452 V N -0.166 119.782 119.914 0.057 0.000 2.467 452 V HA 0.263 4.383 4.120 -0.000 0.000 0.260 452 V C -0.440 175.657 176.094 0.004 0.000 0.963 452 V CA -0.834 61.486 62.300 0.033 0.000 0.856 452 V CB 1.222 33.147 31.823 0.169 0.000 1.087 452 V HN 0.064 nan 8.190 nan 0.000 0.467 453 D N 0.277 120.647 120.400 -0.050 0.000 2.326 453 D HA 0.345 4.985 4.640 -0.000 0.000 0.248 453 D C 0.810 177.042 176.300 -0.113 0.000 1.001 453 D CA -0.431 53.542 54.000 -0.046 0.000 0.961 453 D CB 2.064 42.891 40.800 0.044 0.000 1.183 453 D HN 0.505 nan 8.370 nan 0.000 0.502 454 H N -0.210 118.899 119.070 0.064 0.000 2.395 454 H HA 0.034 4.590 4.556 -0.000 0.000 0.299 454 H C 0.788 176.107 175.328 -0.015 0.000 1.070 454 H CA 0.660 56.739 56.048 0.051 0.000 1.356 454 H CB 0.380 30.183 29.762 0.070 0.000 1.401 454 H HN -0.041 nan 8.280 nan 0.000 0.524 455 V N 1.696 121.639 119.914 0.049 0.000 2.408 455 V HA -0.064 4.056 4.120 -0.000 0.000 0.267 455 V C 0.860 176.881 176.094 -0.122 0.000 1.047 455 V CA -0.273 61.961 62.300 -0.111 0.000 0.937 455 V CB 0.135 31.771 31.823 -0.313 0.000 0.999 455 V HN 0.378 nan 8.190 nan 0.000 0.472 456 Y N 6.911 127.072 120.300 -0.232 0.000 2.102 456 Y HA -0.290 4.259 4.550 -0.000 0.000 0.280 456 Y C 2.150 177.903 175.900 -0.244 0.000 1.178 456 Y CA 2.632 60.608 58.100 -0.207 0.000 1.146 456 Y CB -0.579 37.775 38.460 -0.178 0.000 0.968 456 Y HN 0.750 nan 8.280 nan 0.000 0.504 457 A N 0.767 123.578 122.820 -0.015 0.000 1.929 457 A HA -0.289 4.031 4.320 -0.000 0.000 0.221 457 A C 2.242 179.751 177.584 -0.125 0.000 1.211 457 A CA 2.458 54.404 52.037 -0.151 0.000 0.657 457 A CB -1.152 17.372 19.000 -0.792 0.000 0.827 457 A HN 0.539 nan 8.150 nan 0.000 0.462 458 I N -0.498 119.975 120.570 -0.162 0.000 2.315 458 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 458 I C 2.599 178.639 176.117 -0.128 0.000 1.117 458 I CA 1.416 62.650 61.300 -0.111 0.000 1.404 458 I CB -1.235 36.730 38.000 -0.059 0.000 1.071 458 I HN 0.407 nan 8.210 nan 0.000 0.419 459 R N 0.428 120.817 120.500 -0.184 0.000 2.066 459 R HA -0.187 4.153 4.340 -0.000 0.000 0.232 459 R C 2.109 178.257 176.300 -0.253 0.000 1.131 459 R CA 1.322 57.298 56.100 -0.207 0.000 0.955 459 R CB -0.438 29.664 30.300 -0.329 0.000 0.851 459 R HN 0.443 nan 8.270 nan 0.000 0.432 460 E N 1.160 121.110 120.200 -0.416 0.000 2.033 460 E HA -0.235 4.115 4.350 -0.000 0.000 0.199 460 E C 2.046 178.558 176.600 -0.146 0.000 1.011 460 E CA 1.482 57.677 56.400 -0.341 0.000 0.815 460 E CB -0.106 29.457 29.700 -0.229 0.000 0.755 460 E HN 0.339 nan 8.360 nan 0.000 0.451 461 A N 1.113 123.872 122.820 -0.102 0.000 1.917 461 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 461 A C 2.408 179.968 177.584 -0.040 0.000 1.182 461 A CA 2.268 54.265 52.037 -0.067 0.000 0.633 461 A CB -0.938 18.008 19.000 -0.089 0.000 0.819 461 A HN 0.466 nan 8.150 nan 0.000 0.448 462 A N -1.194 121.616 122.820 -0.017 0.000 1.898 462 A HA -0.051 4.268 4.320 -0.000 0.000 0.216 462 A C 2.313 179.958 177.584 0.101 0.000 1.181 462 A CA 2.271 54.383 52.037 0.124 0.000 0.620 462 A CB -1.313 17.821 19.000 0.224 0.000 0.819 462 A HN 0.445 nan 8.150 nan 0.000 0.442 463 T N -0.277 114.294 114.554 0.028 0.000 2.555 463 T HA -0.206 4.144 4.350 -0.000 0.000 0.264 463 T C 2.294 177.014 174.700 0.033 0.000 1.083 463 T CA 2.145 64.261 62.100 0.027 0.000 1.179 463 T CB -0.621 68.232 68.868 -0.024 0.000 0.863 463 T HN 0.577 nan 8.240 nan 0.000 0.412 464 S N 1.386 117.087 115.700 0.000 0.000 2.374 464 S HA -0.257 4.213 4.470 -0.000 0.000 0.227 464 S C 2.096 176.711 174.600 0.026 0.000 1.037 464 S CA 1.941 60.143 58.200 0.004 0.000 1.024 464 S CB -0.915 62.277 63.200 -0.014 0.000 0.861 464 S HN 0.562 nan 8.310 nan 0.000 0.456 465 N N 0.668 119.394 118.700 0.044 0.000 2.096 465 N HA -0.177 4.563 4.740 -0.000 0.000 0.195 465 N C 1.864 177.420 175.510 0.075 0.000 1.017 465 N CA 1.893 54.985 53.050 0.070 0.000 0.870 465 N CB -0.379 38.196 38.487 0.146 0.000 1.024 465 N HN 0.497 nan 8.380 nan 0.000 0.434 466 L N 1.197 122.484 121.223 0.107 0.000 1.971 466 L HA -0.218 4.121 4.340 -0.000 0.000 0.215 466 L C 2.761 179.685 176.870 0.091 0.000 1.072 466 L CA 1.563 56.483 54.840 0.133 0.000 0.758 466 L CB -0.744 41.396 42.059 0.135 0.000 0.889 466 L HN 0.269 nan 8.230 nan 0.000 0.433 467 K N 0.754 121.189 120.400 0.058 0.000 2.144 467 K HA -0.255 4.064 4.320 -0.000 0.000 0.209 467 K C 2.056 178.651 176.600 -0.008 0.000 1.047 467 K CA 1.782 58.089 56.287 0.033 0.000 0.927 467 K CB -0.024 32.487 32.500 0.018 0.000 0.716 467 K HN 0.279 nan 8.250 nan 0.000 0.454 468 K N 0.222 120.602 120.400 -0.033 0.000 2.288 468 K HA -0.045 4.275 4.320 -0.000 0.000 0.201 468 K C 2.084 178.561 176.600 -0.205 0.000 1.048 468 K CA 0.685 56.913 56.287 -0.098 0.000 0.956 468 K CB 0.076 32.525 32.500 -0.085 0.000 0.746 468 K HN 0.200 nan 8.250 nan 0.000 0.461 469 L N 0.064 121.176 121.223 -0.186 0.000 2.102 469 L HA -0.110 4.230 4.340 -0.000 0.000 0.202 469 L C 2.193 178.850 176.870 -0.355 0.000 1.076 469 L CA 0.521 55.113 54.840 -0.413 0.000 0.761 469 L CB -0.266 41.668 42.059 -0.210 0.000 0.921 469 L HN -0.092 nan 8.230 nan 0.000 0.444 470 V N 0.228 120.158 119.914 0.026 0.000 2.469 470 V HA -0.291 3.828 4.120 -0.000 0.000 0.251 470 V C 2.242 178.323 176.094 -0.022 0.000 1.064 470 V CA 1.801 64.190 62.300 0.149 0.000 1.066 470 V CB -0.550 31.381 31.823 0.180 0.000 0.667 470 V HN 0.488 nan 8.190 nan 0.000 0.461 471 E N -0.508 119.627 120.200 -0.108 0.000 2.274 471 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 471 E C 2.082 178.548 176.600 -0.224 0.000 0.996 471 E CA 0.734 57.061 56.400 -0.122 0.000 0.840 471 E CB -0.004 29.630 29.700 -0.110 0.000 0.772 471 E HN 0.407 nan 8.360 nan 0.000 0.491 472 K N -0.317 119.814 120.400 -0.448 0.000 2.211 472 K HA 0.035 4.355 4.320 -0.000 0.000 0.201 472 K C 0.425 176.610 176.600 -0.693 0.000 1.052 472 K CA 0.636 56.498 56.287 -0.708 0.000 0.973 472 K CB 0.401 32.185 32.500 -1.193 0.000 0.766 472 K HN -0.011 nan 8.250 nan 0.000 0.466 473 F N 0.069 119.818 119.950 -0.336 0.000 2.735 473 F HA 0.437 4.964 4.527 -0.000 0.000 0.308 473 F C 0.376 176.140 175.800 -0.060 0.000 1.112 473 F CA -0.722 57.061 58.000 -0.363 0.000 1.235 473 F CB 0.391 38.794 39.000 -0.995 0.000 1.027 473 F HN 0.020 nan 8.300 nan 0.000 0.528 474 G N 1.756 110.639 108.800 0.138 0.000 2.797 474 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.686 474 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.686 474 G C 1.048 176.110 174.900 0.270 0.000 1.452 474 G CA -0.108 45.097 45.100 0.175 0.000 0.986 474 G HN 0.344 nan 8.290 nan 0.000 0.595 475 K N 1.349 121.862 120.400 0.189 0.000 2.034 475 K HA -0.247 4.073 4.320 -0.000 0.000 0.214 475 K C 2.239 178.962 176.600 0.206 0.000 1.051 475 K CA 2.318 58.713 56.287 0.181 0.000 0.931 475 K CB -0.484 32.085 32.500 0.114 0.000 0.715 475 K HN 0.858 nan 8.250 nan 0.000 0.446 476 E N 1.175 121.489 120.200 0.191 0.000 2.136 476 E HA -0.261 4.089 4.350 -0.000 0.000 0.202 476 E C 1.973 178.687 176.600 0.190 0.000 1.019 476 E CA 1.787 58.293 56.400 0.178 0.000 0.819 476 E CB -1.031 28.758 29.700 0.147 0.000 0.739 476 E HN 0.676 nan 8.360 nan 0.000 0.458 477 W N 2.335 123.684 121.300 0.082 0.000 2.363 477 W HA 0.025 4.684 4.660 -0.000 0.000 0.296 477 W C 2.540 179.112 176.519 0.088 0.000 1.212 477 W CA 2.260 59.653 57.345 0.079 0.000 1.260 477 W CB -0.270 29.268 29.460 0.130 0.000 1.131 477 W HN 0.171 nan 8.180 nan 0.000 0.530 478 A N -0.319 122.476 122.820 -0.042 0.000 1.873 478 A HA -0.293 4.027 4.320 -0.000 0.000 0.215 478 A C 1.801 179.243 177.584 -0.238 0.000 1.186 478 A CA 1.930 53.772 52.037 -0.324 0.000 0.616 478 A CB -1.604 17.410 19.000 0.023 0.000 0.823 478 A HN 0.527 nan 8.150 nan 0.000 0.442 479 H N -0.023 118.932 119.070 -0.191 0.000 2.568 479 H HA 0.188 4.744 4.556 -0.000 0.000 0.281 479 H C 1.297 176.480 175.328 -0.241 0.000 1.028 479 H CA 0.809 56.728 56.048 -0.215 0.000 1.199 479 H CB -0.168 29.484 29.762 -0.183 0.000 1.352 479 H HN 0.362 nan 8.280 nan 0.000 0.605 480 A N -2.037 120.596 122.820 -0.311 0.000 2.498 480 A HA 0.229 4.549 4.320 -0.000 0.000 0.238 480 A C 1.493 178.869 177.584 -0.346 0.000 1.225 480 A CA 0.450 52.280 52.037 -0.345 0.000 0.978 480 A CB 0.504 19.346 19.000 -0.263 0.000 1.142 480 A HN 0.371 nan 8.150 nan 0.000 0.552 481 T N -1.242 113.012 114.554 -0.500 0.000 3.046 481 T HA 0.374 4.724 4.350 -0.000 0.000 0.270 481 T C 1.116 175.576 174.700 -0.400 0.000 0.920 481 T CA 0.326 62.146 62.100 -0.467 0.000 0.874 481 T CB 0.142 68.624 68.868 -0.643 0.000 1.214 481 T HN 0.225 nan 8.240 nan 0.000 0.536 482 I N 0.406 120.718 120.570 -0.429 0.000 3.674 482 I HA 0.155 4.324 4.170 -0.000 0.000 0.248 482 I C 1.632 177.672 176.117 -0.129 0.000 1.134 482 I CA -0.142 61.007 61.300 -0.253 0.000 1.519 482 I CB 0.206 38.033 38.000 -0.287 0.000 1.598 482 I HN -0.022 nan 8.210 nan 0.000 0.442 483 I N 1.906 122.414 120.570 -0.104 0.000 2.358 483 I HA -0.225 3.944 4.170 -0.000 0.000 0.257 483 I C -0.532 175.570 176.117 -0.025 0.000 1.123 483 I CA 2.091 63.370 61.300 -0.036 0.000 1.393 483 I CB -2.501 35.497 38.000 -0.003 0.000 1.073 483 I HN 0.216 nan 8.210 nan 0.000 0.437 484 P HA -0.118 nan 4.420 nan 0.000 0.212 484 P C 1.755 179.035 177.300 -0.033 0.000 1.180 484 P CA 1.445 64.521 63.100 -0.039 0.000 0.902 484 P CB -0.047 31.610 31.700 -0.071 0.000 0.778 485 K N -0.400 119.973 120.400 -0.045 0.000 2.063 485 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 485 K C 1.778 178.367 176.600 -0.018 0.000 1.048 485 K CA 1.252 57.519 56.287 -0.032 0.000 0.928 485 K CB -1.033 31.445 32.500 -0.037 0.000 0.713 485 K HN -0.044 nan 8.250 nan 0.000 0.442 486 V N 1.375 121.279 119.914 -0.016 0.000 3.186 486 V HA -0.155 3.964 4.120 -0.000 0.000 0.270 486 V C 1.677 177.765 176.094 -0.010 0.000 1.149 486 V CA 1.346 63.642 62.300 -0.006 0.000 1.160 486 V CB -0.538 31.285 31.823 0.001 0.000 0.758 486 V HN 0.283 nan 8.190 nan 0.000 0.516 487 L N -1.165 120.052 121.223 -0.010 0.000 2.547 487 L HA 0.423 4.763 4.340 -0.000 0.000 0.218 487 L C 1.653 178.515 176.870 -0.012 0.000 1.048 487 L CA 0.451 55.285 54.840 -0.009 0.000 0.859 487 L CB -0.169 41.892 42.059 0.004 0.000 1.128 487 L HN 0.284 nan 8.230 nan 0.000 0.483 491 G N 1.157 109.946 108.800 -0.018 0.000 3.233 491 G HA2 0.260 4.220 3.960 -0.000 0.000 0.234 491 G HA3 0.260 4.220 3.960 -0.000 0.000 0.234 491 G C -0.113 174.777 174.900 -0.017 0.000 1.137 491 G CA 0.079 45.169 45.100 -0.016 0.000 0.763 491 G HN 0.422 nan 8.290 nan 0.000 0.549 492 D N 0.943 121.334 120.400 -0.016 0.000 2.350 492 D HA 0.174 4.813 4.640 -0.000 0.000 0.249 492 D C -0.637 175.657 176.300 -0.009 0.000 1.119 492 D CA -2.084 51.899 54.000 -0.029 0.000 0.886 492 D CB 2.381 43.160 40.800 -0.035 0.000 1.195 492 D HN -0.002 nan 8.370 nan 0.000 0.437 493 P HA -0.144 nan 4.420 nan 0.000 0.216 493 P C 0.440 177.772 177.300 0.053 0.000 1.153 493 P CA 0.340 63.445 63.100 0.009 0.000 0.848 493 P CB 0.192 31.890 31.700 -0.004 0.000 0.787 494 N N 0.536 119.272 118.700 0.060 0.000 2.452 494 N HA -0.074 4.666 4.740 -0.000 0.000 0.266 494 N C 1.264 176.932 175.510 0.264 0.000 1.209 494 N CA -0.115 53.046 53.050 0.185 0.000 0.929 494 N CB 0.311 38.898 38.487 0.167 0.000 1.063 494 N HN 0.056 nan 8.380 nan 0.000 0.472 495 Y N 4.142 124.465 120.300 0.038 0.000 2.274 495 Y HA -0.093 4.456 4.550 -0.000 0.000 0.290 495 Y C 1.766 177.669 175.900 0.007 0.000 1.145 495 Y CA 0.931 59.031 58.100 -0.001 0.000 1.203 495 Y CB -0.748 37.702 38.460 -0.018 0.000 0.984 495 Y HN 0.497 nan 8.280 nan 0.000 0.533 496 L N -0.210 120.738 121.223 -0.459 0.000 2.043 496 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 496 L C 2.401 179.128 176.870 -0.238 0.000 1.075 496 L CA 2.143 56.688 54.840 -0.492 0.000 0.752 496 L CB -0.655 41.259 42.059 -0.242 0.000 0.891 496 L HN 0.309 nan 8.230 nan 0.000 0.432 497 H N -1.548 117.442 119.070 -0.133 0.000 2.384 497 H HA 0.025 4.581 4.556 -0.000 0.000 0.300 497 H C 1.437 176.686 175.328 -0.132 0.000 1.057 497 H CA 0.170 56.158 56.048 -0.100 0.000 1.370 497 H CB -0.054 29.677 29.762 -0.052 0.000 1.417 497 H HN 0.164 nan 8.280 nan 0.000 0.527 501 T N 3.107 117.543 114.554 -0.196 0.000 2.614 501 T HA 0.042 4.392 4.350 -0.000 0.000 0.263 501 T C 1.942 176.572 174.700 -0.117 0.000 1.055 501 T CA 1.448 63.478 62.100 -0.116 0.000 1.162 501 T CB -0.534 68.272 68.868 -0.103 0.000 0.863 501 T HN 0.193 nan 8.240 nan 0.000 0.414 502 L N -0.081 121.013 121.223 -0.216 0.000 2.129 502 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 502 L C 2.321 179.181 176.870 -0.016 0.000 1.087 502 L CA 1.466 56.214 54.840 -0.154 0.000 0.757 502 L CB -0.689 41.227 42.059 -0.239 0.000 0.896 502 L HN 0.303 nan 8.230 nan 0.000 0.434 503 F N -1.033 118.879 119.950 -0.064 0.000 2.026 503 F HA -0.335 4.192 4.527 -0.000 0.000 0.296 503 F C 2.800 178.575 175.800 -0.043 0.000 1.133 503 F CA 1.107 59.070 58.000 -0.061 0.000 1.188 503 F CB -0.710 38.234 39.000 -0.092 0.000 0.968 503 F HN 0.157 nan 8.300 nan 0.000 0.476 504 C N 0.868 120.275 119.300 0.178 0.000 2.398 504 C HA -0.226 4.234 4.460 -0.000 0.000 0.276 504 C C 2.674 177.706 174.990 0.070 0.000 1.222 504 C CA 0.757 59.832 59.018 0.095 0.000 1.746 504 C CB -1.247 26.532 27.740 0.066 0.000 2.039 504 C HN 0.410 nan 8.230 nan 0.000 0.470 505 I N 1.532 122.134 120.570 0.053 0.000 2.113 505 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 505 I C 2.048 178.192 176.117 0.045 0.000 1.064 505 I CA 2.180 63.502 61.300 0.036 0.000 1.320 505 I CB -0.925 37.085 38.000 0.017 0.000 1.028 505 I HN 0.538 nan 8.210 nan 0.000 0.406 506 N N -0.041 118.697 118.700 0.063 0.000 2.417 506 N HA -0.144 4.596 4.740 -0.000 0.000 0.187 506 N C 1.525 177.062 175.510 0.046 0.000 1.027 506 N CA 0.702 53.788 53.050 0.059 0.000 0.891 506 N CB 0.094 38.635 38.487 0.090 0.000 0.956 506 N HN 0.238 nan 8.380 nan 0.000 0.442 507 V N 0.145 120.088 119.914 0.048 0.000 2.908 507 V HA -0.001 4.119 4.120 -0.000 0.000 0.240 507 V C 1.897 178.014 176.094 0.038 0.000 1.117 507 V CA 0.435 62.757 62.300 0.037 0.000 1.133 507 V CB -0.017 31.828 31.823 0.036 0.000 0.857 507 V HN 0.199 nan 8.190 nan 0.000 0.478 508 L N 1.424 122.674 121.223 0.044 0.000 2.083 508 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 508 L C 2.787 179.679 176.870 0.038 0.000 1.083 508 L CA 2.562 57.429 54.840 0.046 0.000 0.752 508 L CB -1.613 40.473 42.059 0.045 0.000 0.899 508 L HN 0.605 nan 8.230 nan 0.000 0.433 509 S N -0.678 115.040 115.700 0.031 0.000 2.383 509 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 509 S C 1.682 176.296 174.600 0.024 0.000 1.030 509 S CA 1.139 59.353 58.200 0.024 0.000 1.002 509 S CB -0.582 62.630 63.200 0.020 0.000 0.829 509 S HN 0.481 nan 8.310 nan 0.000 0.467 510 E N 0.883 121.097 120.200 0.023 0.000 2.187 510 E HA -0.133 4.216 4.350 -0.000 0.000 0.199 510 E C 1.033 177.645 176.600 0.020 0.000 1.004 510 E CA 1.571 57.983 56.400 0.019 0.000 0.813 510 E CB -0.307 29.404 29.700 0.017 0.000 0.736 510 E HN 0.725 nan 8.360 nan 0.000 0.468 511 V N -3.230 116.701 119.914 0.027 0.000 2.724 511 V HA 0.329 4.449 4.120 -0.000 0.000 0.341 511 V C -0.109 176.011 176.094 0.044 0.000 1.254 511 V CA -0.689 61.629 62.300 0.031 0.000 1.261 511 V CB 0.226 32.066 31.823 0.029 0.000 1.445 511 V HN 0.103 nan 8.190 nan 0.000 0.652 512 C N 1.871 121.194 119.300 0.038 0.000 3.101 512 C HA 0.739 5.199 4.460 -0.000 0.000 0.253 512 C C 1.451 176.460 174.990 0.031 0.000 1.754 512 C CA -0.005 59.038 59.018 0.042 0.000 1.756 512 C CB -0.928 26.834 27.740 0.036 0.000 3.227 512 C HN 1.397 nan 8.230 nan 0.000 0.483 513 G N 1.164 109.982 108.800 0.029 0.000 3.016 513 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.518 513 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.518 513 G C 0.547 175.456 174.900 0.015 0.000 1.586 513 G CA 0.461 45.575 45.100 0.023 0.000 1.051 513 G HN 0.545 nan 8.290 nan 0.000 0.572 514 Q N -0.563 119.244 119.800 0.012 0.000 2.226 514 Q HA -0.127 4.212 4.340 -0.000 0.000 0.204 514 Q C 1.820 177.820 176.000 -0.001 0.000 0.975 514 Q CA 1.800 57.606 55.803 0.005 0.000 0.866 514 Q CB -0.080 28.660 28.738 0.004 0.000 0.915 514 Q HN 0.712 nan 8.270 nan 0.000 0.440 515 D N 0.305 120.707 120.400 0.003 0.000 2.096 515 D HA -0.124 4.516 4.640 -0.000 0.000 0.214 515 D C 1.949 178.243 176.300 -0.009 0.000 0.974 515 D CA 1.373 55.371 54.000 -0.003 0.000 0.890 515 D CB -0.263 40.544 40.800 0.011 0.000 1.016 515 D HN 0.279 nan 8.370 nan 0.000 0.447 516 I N 1.051 121.623 120.570 0.003 0.000 2.285 516 I HA -0.345 3.824 4.170 -0.000 0.000 0.253 516 I C 2.315 178.437 176.117 0.008 0.000 1.104 516 I CA 1.277 62.579 61.300 0.003 0.000 1.372 516 I CB -0.739 37.239 38.000 -0.038 0.000 1.057 516 I HN 0.059 nan 8.210 nan 0.000 0.431 517 T N -0.281 114.272 114.554 -0.001 0.000 2.737 517 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 517 T C 1.914 176.601 174.700 -0.022 0.000 1.038 517 T CA 2.018 64.116 62.100 -0.003 0.000 1.144 517 T CB -0.394 68.475 68.868 0.001 0.000 0.866 517 T HN 0.389 nan 8.240 nan 0.000 0.434 518 T N 1.575 116.107 114.554 -0.036 0.000 2.951 518 T HA 0.045 4.395 4.350 -0.000 0.000 0.268 518 T C 1.808 176.443 174.700 -0.108 0.000 1.073 518 T CA 0.846 62.913 62.100 -0.056 0.000 1.134 518 T CB -0.014 68.826 68.868 -0.046 0.000 0.884 518 T HN 0.353 nan 8.240 nan 0.000 0.479 519 K N -0.499 119.795 120.400 -0.176 0.000 2.354 519 K HA 0.148 4.467 4.320 -0.000 0.000 0.194 519 K C 0.393 176.621 176.600 -0.621 0.000 1.045 519 K CA 0.291 56.349 56.287 -0.381 0.000 1.026 519 K CB 0.470 32.689 32.500 -0.468 0.000 0.866 519 K HN 0.414 nan 8.250 nan 0.000 0.530 523 P HA -0.024 nan 4.420 nan 0.000 0.216 523 P C 1.190 178.477 177.300 -0.021 0.000 1.153 523 P CA 2.511 65.593 63.100 -0.031 0.000 0.848 523 P CB -0.041 31.636 31.700 -0.038 0.000 0.787 524 T N -2.572 111.972 114.554 -0.017 0.000 3.043 524 T HA 0.004 4.354 4.350 -0.000 0.000 0.263 524 T C 1.734 176.418 174.700 -0.027 0.000 1.094 524 T CA 0.414 62.502 62.100 -0.019 0.000 1.127 524 T CB -0.987 67.872 68.868 -0.015 0.000 0.905 524 T HN -0.117 nan 8.240 nan 0.000 0.490 525 V N 0.978 120.877 119.914 -0.025 0.000 3.141 525 V HA 0.095 4.215 4.120 -0.000 0.000 0.265 525 V C 2.088 178.166 176.094 -0.026 0.000 1.126 525 V CA 1.070 63.352 62.300 -0.029 0.000 1.141 525 V CB -0.576 31.234 31.823 -0.021 0.000 0.743 525 V HN 0.472 nan 8.190 nan 0.000 0.492 526 L N -1.275 119.935 121.223 -0.021 0.000 2.269 526 L HA 0.191 4.531 4.340 -0.000 0.000 0.200 526 L C 1.722 178.582 176.870 -0.017 0.000 1.069 526 L CA 0.286 55.116 54.840 -0.016 0.000 0.804 526 L CB -0.261 41.789 42.059 -0.014 0.000 0.987 526 L HN 0.153 nan 8.230 nan 0.000 0.468 530 G N 0.294 109.091 108.800 -0.006 0.000 4.912 530 G HA2 0.447 4.407 3.960 -0.000 0.000 0.307 530 G HA3 0.447 4.407 3.960 -0.000 0.000 0.307 530 G C -0.771 174.126 174.900 -0.004 0.000 1.381 530 G CA 0.241 45.340 45.100 -0.001 0.000 1.057 530 G HN 0.239 nan 8.290 nan 0.000 0.593 531 D N 0.856 121.252 120.400 -0.007 0.000 2.181 531 D HA 0.304 4.944 4.640 -0.000 0.000 0.248 531 D C -1.155 175.144 176.300 -0.001 0.000 1.020 531 D CA -1.647 52.348 54.000 -0.010 0.000 0.891 531 D CB 3.388 44.175 40.800 -0.023 0.000 1.187 531 D HN 0.030 nan 8.370 nan 0.000 0.443 532 P HA -0.065 nan 4.420 nan 0.000 0.215 532 P C 0.585 177.883 177.300 -0.003 0.000 1.157 532 P CA 0.377 63.476 63.100 -0.003 0.000 0.859 532 P CB 0.226 31.920 31.700 -0.010 0.000 0.786 533 V N 1.823 121.729 119.914 -0.014 0.000 2.421 533 V HA 0.137 4.257 4.120 -0.000 0.000 0.271 533 V C 2.081 178.187 176.094 0.020 0.000 1.031 533 V CA 0.418 62.703 62.300 -0.024 0.000 1.032 533 V CB -0.099 31.686 31.823 -0.064 0.000 1.009 533 V HN 0.140 nan 8.190 nan 0.000 0.477 534 A N 4.729 127.589 122.820 0.065 0.000 1.927 534 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 534 A C 2.016 179.673 177.584 0.122 0.000 1.185 534 A CA 2.424 54.548 52.037 0.144 0.000 0.639 534 A CB -0.717 18.417 19.000 0.223 0.000 0.820 534 A HN 0.837 nan 8.150 nan 0.000 0.451 535 N N 0.043 118.810 118.700 0.111 0.000 2.049 535 N HA -0.174 4.566 4.740 -0.000 0.000 0.198 535 N C 1.410 176.468 175.510 -0.754 0.000 1.030 535 N CA 1.856 54.735 53.050 -0.285 0.000 0.870 535 N CB -0.711 37.892 38.487 0.194 0.000 1.045 535 N HN 0.272 nan 8.380 nan 0.000 0.434 536 V N 0.903 120.655 119.914 -0.271 0.000 2.594 536 V HA -0.155 3.964 4.120 -0.000 0.000 0.253 536 V C 2.161 178.102 176.094 -0.254 0.000 1.069 536 V CA 1.424 63.569 62.300 -0.260 0.000 1.082 536 V CB -0.405 31.357 31.823 -0.101 0.000 0.680 536 V HN 0.316 nan 8.190 nan 0.000 0.469 537 R N 0.173 120.566 120.500 -0.178 0.000 2.057 537 R HA -0.037 4.303 4.340 -0.000 0.000 0.224 537 R C 2.367 178.657 176.300 -0.017 0.000 1.136 537 R CA 1.629 57.694 56.100 -0.057 0.000 0.968 537 R CB -0.597 29.731 30.300 0.047 0.000 0.863 537 R HN 0.682 nan 8.270 nan 0.000 0.433 538 F N 1.131 121.120 119.950 0.065 0.000 2.451 538 F HA 0.029 4.556 4.527 -0.000 0.000 0.299 538 F C 1.541 177.291 175.800 -0.085 0.000 1.101 538 F CA 0.516 58.564 58.000 0.080 0.000 1.436 538 F CB -0.544 38.597 39.000 0.235 0.000 1.074 538 F HN -0.122 nan 8.300 nan 0.000 0.553 539 N N 1.004 119.431 118.700 -0.455 0.000 2.290 539 N HA -0.059 4.681 4.740 -0.000 0.000 0.179 539 N C 2.049 177.476 175.510 -0.140 0.000 1.016 539 N CA 1.094 53.958 53.050 -0.309 0.000 0.871 539 N CB -0.131 38.085 38.487 -0.451 0.000 0.987 539 N HN 0.295 nan 8.380 nan 0.000 0.431 540 V N 1.809 121.643 119.914 -0.133 0.000 2.332 540 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 540 V C 2.429 178.516 176.094 -0.012 0.000 1.055 540 V CA 1.959 64.218 62.300 -0.068 0.000 1.038 540 V CB -0.799 30.992 31.823 -0.052 0.000 0.651 540 V HN 0.280 nan 8.190 nan 0.000 0.450 541 A N -0.400 122.438 122.820 0.030 0.000 1.858 541 A HA -0.254 4.065 4.320 -0.000 0.000 0.216 541 A C 2.241 179.861 177.584 0.060 0.000 1.190 541 A CA 2.019 54.099 52.037 0.071 0.000 0.617 541 A CB -0.505 18.585 19.000 0.151 0.000 0.827 541 A HN 0.534 nan 8.150 nan 0.000 0.443 542 K N 0.101 120.528 120.400 0.045 0.000 2.281 542 K HA -0.074 4.246 4.320 -0.000 0.000 0.203 542 K C 2.195 178.811 176.600 0.027 0.000 1.046 542 K CA 1.338 57.639 56.287 0.023 0.000 0.938 542 K CB -0.129 32.334 32.500 -0.062 0.000 0.737 542 K HN 0.451 nan 8.250 nan 0.000 0.458 543 S N 1.177 116.887 115.700 0.017 0.000 2.377 543 S HA 0.022 4.492 4.470 -0.000 0.000 0.223 543 S C 1.815 176.426 174.600 0.019 0.000 1.030 543 S CA 0.627 58.840 58.200 0.021 0.000 0.970 543 S CB -0.058 63.142 63.200 0.001 0.000 0.830 543 S HN 0.192 nan 8.310 nan 0.000 0.473 544 L N 1.550 122.782 121.223 0.016 0.000 2.187 544 L HA -0.143 4.197 4.340 -0.000 0.000 0.213 544 L C 2.721 179.602 176.870 0.019 0.000 1.100 544 L CA 1.122 55.970 54.840 0.015 0.000 0.765 544 L CB -0.395 41.673 42.059 0.015 0.000 0.904 544 L HN 0.407 nan 8.230 nan 0.000 0.437 545 Q N 0.268 120.083 119.800 0.025 0.000 2.245 545 Q HA -0.219 4.121 4.340 -0.000 0.000 0.201 545 Q C 2.100 178.115 176.000 0.025 0.000 0.955 545 Q CA 1.131 56.950 55.803 0.026 0.000 0.870 545 Q CB 0.270 29.029 28.738 0.035 0.000 0.945 545 Q HN 0.179 nan 8.270 nan 0.000 0.461 546 K N 1.095 121.511 120.400 0.027 0.000 2.098 546 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 546 K C 1.765 178.377 176.600 0.021 0.000 1.051 546 K CA 1.252 57.555 56.287 0.026 0.000 0.957 546 K CB -0.228 32.291 32.500 0.033 0.000 0.738 546 K HN 0.424 nan 8.250 nan 0.000 0.447 547 I N -2.490 118.092 120.570 0.019 0.000 3.684 547 I HA 0.297 4.467 4.170 -0.000 0.000 0.304 547 I C 1.560 177.684 176.117 0.011 0.000 1.278 547 I CA 0.236 61.544 61.300 0.014 0.000 1.272 547 I CB -0.392 37.615 38.000 0.012 0.000 1.029 547 I HN 0.068 nan 8.210 nan 0.000 0.458 548 G N 3.140 111.948 108.800 0.012 0.000 2.639 548 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.216 548 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.216 548 G C -0.418 174.487 174.900 0.008 0.000 1.267 548 G CA 1.318 46.424 45.100 0.010 0.000 0.801 548 G HN 0.343 nan 8.290 nan 0.000 0.592 549 P HA -0.114 nan 4.420 nan 0.000 0.217 549 P C 1.857 179.162 177.300 0.007 0.000 1.151 549 P CA 0.967 64.072 63.100 0.008 0.000 0.849 549 P CB -0.134 31.572 31.700 0.010 0.000 0.787 550 I N -2.018 118.557 120.570 0.008 0.000 2.700 550 I HA -0.161 4.009 4.170 -0.000 0.000 0.261 550 I C 1.242 177.361 176.117 0.004 0.000 1.219 550 I CA 0.497 61.801 61.300 0.007 0.000 1.463 550 I CB -0.473 37.532 38.000 0.009 0.000 1.092 550 I HN -0.051 nan 8.210 nan 0.000 0.452 551 L N 0.854 122.079 121.223 0.002 0.000 2.456 551 L HA 0.114 4.454 4.340 -0.000 0.000 0.257 551 L C 0.001 176.870 176.870 -0.001 0.000 1.162 551 L CA -0.596 54.243 54.840 -0.001 0.000 0.808 551 L CB 0.418 42.476 42.059 -0.003 0.000 1.136 551 L HN 0.140 nan 8.230 nan 0.000 0.466 552 D N -0.688 119.710 120.400 -0.003 0.000 2.210 552 D HA 0.060 4.700 4.640 -0.000 0.000 0.249 552 D C 0.663 176.962 176.300 -0.002 0.000 1.078 552 D CA -0.635 53.364 54.000 -0.002 0.000 0.875 552 D CB 0.777 41.575 40.800 -0.003 0.000 1.175 552 D HN 0.440 nan 8.370 nan 0.000 0.440 553 N N 1.958 120.658 118.700 -0.000 0.000 2.165 553 N HA -0.360 4.380 4.740 -0.000 0.000 0.198 553 N C 1.476 176.985 175.510 -0.001 0.000 0.999 553 N CA 2.041 55.091 53.050 0.000 0.000 0.893 553 N CB -0.205 38.283 38.487 0.001 0.000 1.025 553 N HN 0.435 nan 8.380 nan 0.000 0.456 554 S N -1.926 113.772 115.700 -0.002 0.000 2.368 554 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 554 S C 1.688 176.285 174.600 -0.005 0.000 1.029 554 S CA 1.793 59.991 58.200 -0.003 0.000 0.988 554 S CB -0.639 62.559 63.200 -0.004 0.000 0.838 554 S HN 0.585 nan 8.310 nan 0.000 0.462 555 T N 2.751 117.300 114.554 -0.007 0.000 2.777 555 T HA 0.015 4.365 4.350 -0.000 0.000 0.266 555 T C 1.756 176.452 174.700 -0.006 0.000 1.040 555 T CA 1.093 63.188 62.100 -0.009 0.000 1.141 555 T CB -0.528 68.332 68.868 -0.013 0.000 0.868 555 T HN 0.270 nan 8.240 nan 0.000 0.444 556 L N 0.805 122.025 121.223 -0.004 0.000 1.951 556 L HA -0.200 4.140 4.340 -0.000 0.000 0.222 556 L C 2.052 178.922 176.870 -0.000 0.000 1.078 556 L CA 1.674 56.513 54.840 -0.001 0.000 0.778 556 L CB -0.383 41.676 42.059 0.001 0.000 0.893 556 L HN 0.322 nan 8.230 nan 0.000 0.436 557 Q N -1.328 118.472 119.800 -0.000 0.000 2.292 557 Q HA -0.028 4.312 4.340 -0.000 0.000 0.247 557 Q C 0.871 176.871 176.000 -0.001 0.000 0.911 557 Q CA 0.295 56.099 55.803 0.001 0.000 0.948 557 Q CB 0.361 29.100 28.738 0.001 0.000 1.093 557 Q HN 0.407 nan 8.270 nan 0.000 0.428 558 S N 0.015 115.714 115.700 -0.002 0.000 3.608 558 S HA 0.051 4.521 4.470 -0.000 0.000 0.234 558 S C 1.014 175.611 174.600 -0.004 0.000 1.077 558 S CA -0.109 58.089 58.200 -0.004 0.000 0.827 558 S CB 0.336 63.532 63.200 -0.006 0.000 0.964 558 S HN 0.304 nan 8.310 nan 0.000 0.547 559 E N 0.372 120.569 120.200 -0.006 0.000 2.481 559 E HA 0.260 4.610 4.350 -0.000 0.000 0.198 559 E C 1.080 177.677 176.600 -0.005 0.000 1.027 559 E CA 0.060 56.456 56.400 -0.008 0.000 0.900 559 E CB 0.968 30.661 29.700 -0.013 0.000 0.993 559 E HN 0.299 nan 8.360 nan 0.000 0.482 560 V N 0.838 120.751 119.914 -0.002 0.000 2.785 560 V HA -0.098 4.021 4.120 -0.000 0.000 0.226 560 V C 2.106 178.203 176.094 0.005 0.000 1.127 560 V CA 0.873 63.174 62.300 0.001 0.000 1.193 560 V CB -0.291 31.533 31.823 0.002 0.000 0.926 560 V HN 0.062 nan 8.190 nan 0.000 0.507 561 K N 0.825 121.228 120.400 0.005 0.000 2.044 561 K HA -0.291 4.029 4.320 -0.000 0.000 0.224 561 K C -0.236 176.369 176.600 0.008 0.000 1.056 561 K CA 2.908 59.199 56.287 0.007 0.000 0.962 561 K CB -1.436 31.068 32.500 0.006 0.000 0.730 561 K HN 0.331 nan 8.250 nan 0.000 0.453 562 P HA -0.175 nan 4.420 nan 0.000 0.216 562 P C 1.435 178.740 177.300 0.008 0.000 1.154 562 P CA 1.457 64.561 63.100 0.006 0.000 0.865 562 P CB -0.024 31.678 31.700 0.004 0.000 0.789 563 I N -1.877 118.697 120.570 0.008 0.000 3.226 563 I HA 0.001 4.171 4.170 -0.000 0.000 0.277 563 I C 1.483 177.610 176.117 0.016 0.000 1.243 563 I CA 0.507 61.813 61.300 0.010 0.000 1.459 563 I CB 0.092 38.095 38.000 0.005 0.000 1.093 563 I HN -0.139 nan 8.210 nan 0.000 0.453 564 L N 0.327 121.560 121.223 0.016 0.000 2.629 564 L HA 0.146 4.486 4.340 -0.000 0.000 0.230 564 L C 1.639 178.523 176.870 0.024 0.000 1.151 564 L CA 0.208 55.062 54.840 0.023 0.000 0.924 564 L CB -0.175 41.896 42.059 0.020 0.000 1.137 564 L HN 0.171 nan 8.230 nan 0.000 0.457 565 E N -0.275 119.937 120.200 0.021 0.000 2.256 565 E HA -0.090 4.260 4.350 -0.000 0.000 0.198 565 E C 1.328 177.942 176.600 0.024 0.000 0.908 565 E CA 0.119 56.532 56.400 0.020 0.000 0.915 565 E CB 0.223 29.933 29.700 0.015 0.000 0.890 565 E HN 0.261 nan 8.360 nan 0.000 0.484 566 K N 1.222 121.636 120.400 0.022 0.000 2.640 566 K HA -0.033 4.287 4.320 -0.000 0.000 0.193 566 K C 1.479 178.099 176.600 0.033 0.000 1.036 566 K CA 0.379 56.681 56.287 0.024 0.000 0.962 566 K CB 0.071 32.582 32.500 0.019 0.000 0.791 566 K HN 0.059 nan 8.250 nan 0.000 0.491 567 L N -1.427 119.820 121.223 0.040 0.000 2.624 567 L HA 0.012 4.352 4.340 -0.000 0.000 0.222 567 L C 2.113 179.020 176.870 0.060 0.000 1.046 567 L CA 0.502 55.376 54.840 0.057 0.000 0.872 567 L CB -0.188 41.912 42.059 0.068 0.000 1.190 567 L HN 0.192 nan 8.230 nan 0.000 0.487 568 T N -2.572 112.010 114.554 0.048 0.000 2.946 568 T HA -0.172 4.178 4.350 -0.000 0.000 0.271 568 T C 1.139 175.863 174.700 0.041 0.000 1.104 568 T CA 0.975 63.101 62.100 0.043 0.000 1.114 568 T CB -0.122 68.764 68.868 0.030 0.000 0.867 568 T HN 0.160 nan 8.240 nan 0.000 0.513 569 Q N 1.544 121.367 119.800 0.038 0.000 2.628 569 Q HA 0.380 4.720 4.340 -0.000 0.000 0.397 569 Q C -1.181 174.842 176.000 0.038 0.000 0.916 569 Q CA -0.223 55.600 55.803 0.034 0.000 1.071 569 Q CB 0.803 29.557 28.738 0.026 0.000 1.367 569 Q HN 0.510 nan 8.270 nan 0.000 0.404 570 D N 0.158 120.588 120.400 0.050 0.000 2.340 570 D HA 0.104 4.744 4.640 -0.000 0.000 0.240 570 D C 0.851 177.184 176.300 0.055 0.000 1.001 570 D CA -0.393 53.640 54.000 0.055 0.000 0.888 570 D CB 1.592 42.436 40.800 0.074 0.000 1.310 570 D HN 0.033 nan 8.370 nan 0.000 0.474 571 Q N 1.635 121.466 119.800 0.051 0.000 1.900 571 Q HA -0.183 4.157 4.340 -0.000 0.000 0.219 571 Q C -0.181 175.852 176.000 0.056 0.000 1.012 571 Q CA 1.218 57.049 55.803 0.046 0.000 0.876 571 Q CB -0.364 28.399 28.738 0.042 0.000 0.952 571 Q HN 0.613 nan 8.270 nan 0.000 0.419 572 D N 0.606 121.050 120.400 0.074 0.000 2.554 572 D HA -0.076 4.564 4.640 -0.000 0.000 0.251 572 D C 1.334 177.688 176.300 0.089 0.000 1.213 572 D CA 0.020 54.073 54.000 0.090 0.000 0.900 572 D CB 0.909 41.789 40.800 0.133 0.000 1.135 572 D HN 0.167 nan 8.370 nan 0.000 0.522 573 V N 4.499 124.445 119.914 0.053 0.000 2.357 573 V HA -0.321 3.799 4.120 -0.000 0.000 0.257 573 V C 1.960 178.075 176.094 0.034 0.000 1.082 573 V CA 1.924 64.240 62.300 0.027 0.000 1.078 573 V CB -0.351 31.465 31.823 -0.011 0.000 0.663 573 V HN 0.597 nan 8.190 nan 0.000 0.455 574 D N 0.076 120.507 120.400 0.051 0.000 2.075 574 D HA -0.115 4.525 4.640 -0.000 0.000 0.196 574 D C 2.281 178.724 176.300 0.239 0.000 0.985 574 D CA 1.614 55.644 54.000 0.051 0.000 0.834 574 D CB -0.464 40.314 40.800 -0.036 0.000 0.987 574 D HN 0.349 nan 8.370 nan 0.000 0.452 575 V N 1.778 121.899 119.914 0.344 0.000 2.313 575 V HA -0.315 3.805 4.120 -0.000 0.000 0.253 575 V C 2.505 178.750 176.094 0.251 0.000 1.070 575 V CA 1.905 64.437 62.300 0.387 0.000 1.057 575 V CB -0.552 31.439 31.823 0.280 0.000 0.653 575 V HN 0.222 nan 8.190 nan 0.000 0.450 576 K N -0.817 119.680 120.400 0.161 0.000 1.977 576 K HA -0.289 4.031 4.320 -0.000 0.000 0.218 576 K C 2.288 178.942 176.600 0.090 0.000 1.051 576 K CA 2.501 58.852 56.287 0.106 0.000 0.953 576 K CB -0.525 32.022 32.500 0.078 0.000 0.727 576 K HN 0.485 nan 8.250 nan 0.000 0.445 577 Y N 0.513 120.755 120.300 -0.097 0.000 2.151 577 Y HA -0.245 4.304 4.550 -0.000 0.000 0.284 577 Y C 1.765 177.546 175.900 -0.197 0.000 1.166 577 Y CA 1.775 59.743 58.100 -0.220 0.000 1.163 577 Y CB -0.454 37.747 38.460 -0.431 0.000 0.974 577 Y HN 0.112 nan 8.280 nan 0.000 0.511 578 F N -0.554 119.339 119.950 -0.096 0.000 2.502 578 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 578 F C 2.392 178.142 175.800 -0.084 0.000 1.111 578 F CA 0.719 58.633 58.000 -0.144 0.000 1.445 578 F CB -0.920 38.125 39.000 0.074 0.000 1.081 578 F HN 0.171 nan 8.300 nan 0.000 0.558 579 A N -0.615 122.274 122.820 0.114 0.000 1.878 579 A HA -0.134 4.186 4.320 -0.000 0.000 0.213 579 A C 2.093 179.681 177.584 0.007 0.000 1.192 579 A CA 1.156 53.238 52.037 0.075 0.000 0.619 579 A CB -0.657 18.391 19.000 0.080 0.000 0.837 579 A HN 0.297 nan 8.150 nan 0.000 0.446 580 Q N 0.312 120.091 119.800 -0.035 0.000 2.030 580 Q HA -0.207 4.132 4.340 -0.000 0.000 0.204 580 Q C 1.648 177.592 176.000 -0.093 0.000 0.986 580 Q CA 2.228 57.999 55.803 -0.053 0.000 0.843 580 Q CB -0.352 28.360 28.738 -0.043 0.000 0.904 580 Q HN 0.549 nan 8.270 nan 0.000 0.420 581 E N -1.145 118.925 120.200 -0.217 0.000 2.505 581 E HA 0.049 4.398 4.350 -0.000 0.000 0.197 581 E C 0.563 177.116 176.600 -0.078 0.000 1.111 581 E CA 0.693 56.972 56.400 -0.200 0.000 0.887 581 E CB -0.219 29.226 29.700 -0.425 0.000 0.913 581 E HN 0.455 nan 8.360 nan 0.000 0.517 582 A N -0.842 121.956 122.820 -0.037 0.000 2.229 582 A HA 0.226 4.546 4.320 -0.000 0.000 0.211 582 A C 1.585 179.171 177.584 0.003 0.000 1.193 582 A CA -0.061 51.980 52.037 0.006 0.000 0.879 582 A CB 0.185 19.205 19.000 0.033 0.000 0.911 582 A HN 0.294 nan 8.150 nan 0.000 0.492 583 L N -1.370 119.849 121.223 -0.006 0.000 2.296 583 L HA -0.003 4.337 4.340 -0.000 0.000 0.193 583 L C 2.460 179.329 176.870 -0.002 0.000 1.123 583 L CA 1.331 56.171 54.840 -0.001 0.000 0.805 583 L CB -1.039 41.020 42.059 0.001 0.000 1.004 583 L HN 0.208 nan 8.230 nan 0.000 0.478 584 T N 0.109 114.659 114.554 -0.007 0.000 2.792 584 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 584 T C 1.749 176.450 174.700 0.001 0.000 1.059 584 T CA 1.375 63.473 62.100 -0.003 0.000 1.136 584 T CB -0.238 68.627 68.868 -0.005 0.000 0.846 584 T HN 0.074 nan 8.240 nan 0.000 0.489 585 V N 0.207 120.121 119.914 0.000 0.000 2.685 585 V HA 0.159 4.278 4.120 -0.000 0.000 0.244 585 V C 2.191 178.289 176.094 0.008 0.000 1.054 585 V CA 0.764 63.067 62.300 0.006 0.000 1.076 585 V CB -0.294 31.534 31.823 0.008 0.000 0.725 585 V HN 0.414 nan 8.190 nan 0.000 0.467 586 L N -0.074 121.153 121.223 0.007 0.000 2.478 586 L HA 0.104 4.443 4.340 -0.000 0.000 0.223 586 L C 0.978 177.852 176.870 0.007 0.000 1.140 586 L CA 0.361 55.205 54.840 0.008 0.000 0.842 586 L CB -0.156 41.908 42.059 0.008 0.000 0.953 586 L HN 0.398 nan 8.230 nan 0.000 0.452 587 S N 0.392 116.095 115.700 0.006 0.000 3.791 587 S HA -0.118 4.352 4.470 -0.000 0.000 0.393 587 S C 0.511 175.114 174.600 0.005 0.000 0.936 587 S CA 0.121 58.325 58.200 0.006 0.000 1.234 587 S CB -1.283 61.920 63.200 0.006 0.000 0.891 587 S HN 0.336 nan 8.310 nan 0.000 0.519 588 L N -0.546 120.680 121.223 0.005 0.000 3.066 588 L HA 0.663 5.003 4.340 -0.000 0.000 0.265 588 L C 0.615 177.488 176.870 0.005 0.000 1.232 588 L CA 0.431 55.274 54.840 0.005 0.000 1.031 588 L CB 0.014 42.077 42.059 0.006 0.000 1.379 588 L HN 0.625 nan 8.230 nan 0.000 0.563 589 A N 0.000 122.823 122.820 0.005 0.000 2.254 589 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 589 A CA 0.000 52.040 52.037 0.006 0.000 0.836 589 A CB 0.000 19.004 19.000 0.006 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486