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_D 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 0.000 176.273 176.300 -0.046 0.000 2.045 8 D CA 0.000 53.985 54.000 -0.026 0.000 0.868 8 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 9 S N 0.227 115.903 115.700 -0.041 0.000 2.599 9 S HA 0.634 5.095 4.470 -0.014 0.000 0.287 9 S C -0.773 173.786 174.600 -0.069 0.000 1.105 9 S CA -0.619 57.534 58.200 -0.079 0.000 0.899 9 S CB 1.890 65.069 63.200 -0.035 0.000 1.100 9 S HN 0.110 nan 8.310 nan 0.000 0.482 10 L N 3.968 125.112 121.223 -0.133 0.000 3.110 10 L HA 0.488 4.820 4.340 -0.014 0.000 0.266 10 L C 0.156 177.011 176.870 -0.024 0.000 1.257 10 L CA 0.050 54.843 54.840 -0.079 0.000 1.038 10 L CB -0.371 41.625 42.059 -0.104 0.000 1.395 10 L HN 0.899 nan 8.230 nan 0.000 0.566 11 Y N 0.672 120.966 120.300 -0.010 0.000 2.153 11 Y HA -0.021 4.521 4.550 -0.014 0.000 0.289 11 Y C -0.249 175.645 175.900 -0.009 0.000 1.119 11 Y CA 0.806 58.900 58.100 -0.010 0.000 1.116 11 Y CB -0.897 37.559 38.460 -0.008 0.000 1.004 11 Y HN 0.254 nan 8.280 nan 0.000 0.501 12 P HA -0.289 nan 4.420 nan 0.000 0.209 12 P C 1.448 178.787 177.300 0.066 0.000 1.167 12 P CA 1.980 65.133 63.100 0.089 0.000 0.941 12 P CB -0.292 31.446 31.700 0.063 0.000 0.787 13 I N -0.233 120.367 120.570 0.051 0.000 2.290 13 I HA -0.300 3.862 4.170 -0.014 0.000 0.253 13 I C 2.515 178.653 176.117 0.034 0.000 1.112 13 I CA 1.761 63.080 61.300 0.032 0.000 1.377 13 I CB -0.850 37.160 38.000 0.016 0.000 1.060 13 I HN -0.023 nan 8.210 nan 0.000 0.428 14 A N -0.369 122.488 122.820 0.061 0.000 2.119 14 A HA -0.073 4.239 4.320 -0.014 0.000 0.217 14 A C 2.404 180.013 177.584 0.041 0.000 1.153 14 A CA 1.180 53.254 52.037 0.061 0.000 0.692 14 A CB -0.457 18.619 19.000 0.127 0.000 0.799 14 A HN 0.297 nan 8.150 nan 0.000 0.458 15 V N -0.172 119.767 119.914 0.041 0.000 2.599 15 V HA -0.062 4.050 4.120 -0.014 0.000 0.245 15 V C 2.274 178.373 176.094 0.008 0.000 1.046 15 V CA 1.163 63.472 62.300 0.015 0.000 1.065 15 V CB -0.260 31.569 31.823 0.009 0.000 0.703 15 V HN 0.588 nan 8.190 nan 0.000 0.464 16 L N -0.332 120.900 121.223 0.016 0.000 2.131 16 L HA -0.183 4.149 4.340 -0.014 0.000 0.210 16 L C 2.322 179.193 176.870 0.002 0.000 1.092 16 L CA 1.768 56.619 54.840 0.018 0.000 0.759 16 L CB -0.649 41.425 42.059 0.026 0.000 0.903 16 L HN 0.311 nan 8.230 nan 0.000 0.435 17 I N -0.154 120.405 120.570 -0.017 0.000 2.567 17 I HA -0.253 3.909 4.170 -0.014 0.000 0.257 17 I C 1.634 177.703 176.117 -0.081 0.000 1.184 17 I CA 1.125 62.387 61.300 -0.064 0.000 1.451 17 I CB -0.305 37.654 38.000 -0.067 0.000 1.089 17 I HN 0.224 nan 8.210 nan 0.000 0.441 18 D N 0.515 120.892 120.400 -0.038 0.000 2.346 18 D HA -0.054 4.578 4.640 -0.014 0.000 0.206 18 D C 1.661 177.958 176.300 -0.006 0.000 1.001 18 D CA 0.598 54.580 54.000 -0.031 0.000 0.871 18 D CB 0.240 41.028 40.800 -0.021 0.000 0.943 18 D HN 0.286 nan 8.370 nan 0.000 0.518 19 E N -0.266 119.940 120.200 0.010 0.000 2.479 19 E HA 0.097 4.439 4.350 -0.014 0.000 0.193 19 E C 1.298 177.945 176.600 0.078 0.000 1.049 19 E CA -0.044 56.378 56.400 0.037 0.000 0.870 19 E CB 0.449 30.170 29.700 0.034 0.000 0.944 19 E HN 0.334 nan 8.360 nan 0.000 0.492 20 L N 1.087 122.366 121.223 0.092 0.000 2.610 20 L HA 0.049 4.381 4.340 -0.014 0.000 0.232 20 L C 1.738 178.782 176.870 0.290 0.000 1.149 20 L CA 0.595 55.569 54.840 0.222 0.000 0.872 20 L CB -0.171 42.039 42.059 0.250 0.000 0.992 20 L HN 0.150 nan 8.230 nan 0.000 0.447 21 R N -2.457 118.140 120.500 0.162 0.000 2.544 21 R HA 0.099 4.430 4.340 -0.014 0.000 0.426 21 R C 0.780 177.112 176.300 0.053 0.000 0.943 21 R CA -0.122 56.047 56.100 0.116 0.000 1.162 21 R CB -0.625 29.764 30.300 0.148 0.000 1.588 21 R HN -0.074 nan 8.270 nan 0.000 0.563 22 N N 2.582 121.314 118.700 0.054 0.000 2.513 22 N HA -0.216 4.515 4.740 -0.014 0.000 0.187 22 N C 0.417 175.939 175.510 0.019 0.000 1.056 22 N CA 1.659 54.728 53.050 0.031 0.000 0.907 22 N CB 0.042 38.549 38.487 0.034 0.000 0.954 22 N HN 0.549 nan 8.380 nan 0.000 0.445 23 E N -1.519 118.690 120.200 0.015 0.000 3.799 23 E HA -0.258 4.084 4.350 -0.014 0.000 0.320 23 E C -1.082 175.523 176.600 0.008 0.000 0.760 23 E CA 0.992 57.392 56.400 0.000 0.000 1.153 23 E CB -1.291 28.405 29.700 -0.007 0.000 1.589 23 E HN 0.457 nan 8.360 nan 0.000 0.448 24 D N -0.060 120.352 120.400 0.020 0.000 2.590 24 D HA 0.169 4.801 4.640 -0.014 0.000 0.280 24 D C 1.338 177.657 176.300 0.032 0.000 1.197 24 D CA 0.276 54.288 54.000 0.020 0.000 0.967 24 D CB 0.421 41.232 40.800 0.017 0.000 0.987 24 D HN 0.029 nan 8.370 nan 0.000 0.508 25 V N 1.975 121.911 119.914 0.036 0.000 2.332 25 V HA -0.419 3.692 4.120 -0.014 0.000 0.261 25 V C 2.472 178.596 176.094 0.050 0.000 1.116 25 V CA 2.532 64.863 62.300 0.052 0.000 1.110 25 V CB -1.019 30.829 31.823 0.042 0.000 0.782 25 V HN 0.485 nan 8.190 nan 0.000 0.458 26 Q N -0.394 119.428 119.800 0.035 0.000 2.112 26 Q HA -0.177 4.155 4.340 -0.014 0.000 0.206 26 Q C 1.918 177.939 176.000 0.036 0.000 0.987 26 Q CA 2.087 57.909 55.803 0.031 0.000 0.858 26 Q CB -0.372 28.379 28.738 0.023 0.000 0.905 26 Q HN 0.727 nan 8.270 nan 0.000 0.420 27 L N -0.888 120.358 121.223 0.038 0.000 2.102 27 L HA -0.003 4.328 4.340 -0.014 0.000 0.202 27 L C 2.597 179.503 176.870 0.059 0.000 1.076 27 L CA 0.878 55.742 54.840 0.041 0.000 0.761 27 L CB -0.408 41.672 42.059 0.035 0.000 0.921 27 L HN 0.142 nan 8.230 nan 0.000 0.444 28 R N 0.003 120.550 120.500 0.078 0.000 2.154 28 R HA -0.249 4.082 4.340 -0.014 0.000 0.248 28 R C 2.164 178.535 176.300 0.117 0.000 1.155 28 R CA 1.614 57.788 56.100 0.124 0.000 0.979 28 R CB -0.464 29.930 30.300 0.156 0.000 0.869 28 R HN 0.207 nan 8.270 nan 0.000 0.452 29 L N 1.284 122.555 121.223 0.080 0.000 1.937 29 L HA -0.241 4.091 4.340 -0.014 0.000 0.213 29 L C 2.103 178.999 176.870 0.043 0.000 1.077 29 L CA 2.013 56.884 54.840 0.052 0.000 0.758 29 L CB -0.960 41.121 42.059 0.037 0.000 0.888 29 L HN 0.207 nan 8.230 nan 0.000 0.433 30 N N -0.615 118.109 118.700 0.040 0.000 2.103 30 N HA -0.325 4.406 4.740 -0.014 0.000 0.200 30 N C 1.740 177.276 175.510 0.044 0.000 1.016 30 N CA 2.694 55.766 53.050 0.036 0.000 0.890 30 N CB -0.366 38.142 38.487 0.034 0.000 1.075 30 N HN 0.549 nan 8.380 nan 0.000 0.506 31 S N 1.120 116.853 115.700 0.055 0.000 2.392 31 S HA -0.158 4.303 4.470 -0.014 0.000 0.225 31 S C 2.132 176.773 174.600 0.067 0.000 1.041 31 S CA 1.429 59.667 58.200 0.064 0.000 1.100 31 S CB -0.445 62.803 63.200 0.080 0.000 1.029 31 S HN 0.354 nan 8.310 nan 0.000 0.424 32 I N 1.658 122.268 120.570 0.068 0.000 2.248 32 I HA -0.170 3.992 4.170 -0.014 0.000 0.248 32 I C 2.313 178.440 176.117 0.016 0.000 1.107 32 I CA 1.457 62.775 61.300 0.030 0.000 1.373 32 I CB -0.909 37.065 38.000 -0.044 0.000 1.055 32 I HN 0.315 nan 8.210 nan 0.000 0.418 33 K N 0.733 121.145 120.400 0.020 0.000 2.362 33 K HA -0.119 4.192 4.320 -0.014 0.000 0.200 33 K C 1.414 178.039 176.600 0.041 0.000 1.046 33 K CA 0.972 57.271 56.287 0.020 0.000 0.952 33 K CB 0.170 32.681 32.500 0.019 0.000 0.753 33 K HN 0.264 nan 8.250 nan 0.000 0.466 34 K N -0.127 120.306 120.400 0.055 0.000 2.387 34 K HA 0.056 4.368 4.320 -0.014 0.000 0.203 34 K C 0.984 177.646 176.600 0.103 0.000 1.030 34 K CA -0.166 56.161 56.287 0.067 0.000 1.099 34 K CB 0.421 32.951 32.500 0.050 0.000 0.863 34 K HN -0.028 nan 8.250 nan 0.000 0.529 35 L N 2.061 123.360 121.223 0.127 0.000 2.256 35 L HA -0.351 3.980 4.340 -0.014 0.000 0.218 35 L C 2.101 179.184 176.870 0.355 0.000 1.089 35 L CA 2.095 57.062 54.840 0.212 0.000 0.777 35 L CB -0.612 41.549 42.059 0.171 0.000 0.890 35 L HN 0.258 nan 8.230 nan 0.000 0.439 36 S N -2.651 113.238 115.700 0.315 0.000 2.345 36 S HA -0.226 4.236 4.470 -0.014 0.000 0.220 36 S C 2.033 176.625 174.600 -0.014 0.000 1.031 36 S CA 1.430 59.718 58.200 0.148 0.000 0.996 36 S CB -1.394 61.893 63.200 0.144 0.000 0.882 36 S HN 0.623 nan 8.310 nan 0.000 0.445 37 T N -0.004 114.563 114.554 0.023 0.000 3.077 37 T HA 0.048 4.390 4.350 -0.014 0.000 0.269 37 T C 1.406 176.102 174.700 -0.006 0.000 1.146 37 T CA 0.940 63.037 62.100 -0.005 0.000 1.091 37 T CB -0.694 68.180 68.868 0.010 0.000 0.892 37 T HN 0.320 nan 8.240 nan 0.000 0.533 38 I N 1.021 121.604 120.570 0.021 0.000 2.703 38 I HA 0.351 4.513 4.170 -0.014 0.000 0.259 38 I C 2.673 178.783 176.117 -0.012 0.000 1.151 38 I CA 0.747 62.056 61.300 0.016 0.000 1.470 38 I CB -0.417 37.611 38.000 0.047 0.000 1.112 38 I HN 0.329 nan 8.210 nan 0.000 0.437 39 A N -0.366 122.428 122.820 -0.043 0.000 2.208 39 A HA 0.051 4.363 4.320 -0.014 0.000 0.209 39 A C 1.985 179.473 177.584 -0.160 0.000 1.161 39 A CA 0.598 52.563 52.037 -0.120 0.000 0.782 39 A CB -0.370 18.453 19.000 -0.295 0.000 0.816 39 A HN 0.324 nan 8.150 nan 0.000 0.477 40 L N -0.388 120.756 121.223 -0.132 0.000 2.062 40 L HA 0.258 4.590 4.340 -0.014 0.000 0.202 40 L C 2.415 179.240 176.870 -0.076 0.000 1.079 40 L CA 2.199 56.971 54.840 -0.113 0.000 0.755 40 L CB -1.070 40.933 42.059 -0.092 0.000 0.913 40 L HN 0.213 nan 8.230 nan 0.000 0.445 41 A N -0.863 121.924 122.820 -0.055 0.000 2.225 41 A HA -0.100 4.212 4.320 -0.014 0.000 0.215 41 A C 2.114 179.672 177.584 -0.043 0.000 1.164 41 A CA 1.554 53.565 52.037 -0.043 0.000 0.710 41 A CB -0.795 18.187 19.000 -0.030 0.000 0.780 41 A HN 0.508 nan 8.150 nan 0.000 0.473 42 L N -1.098 120.095 121.223 -0.050 0.000 2.022 42 L HA 0.333 4.665 4.340 -0.014 0.000 0.204 42 L C 1.213 178.052 176.870 -0.052 0.000 1.076 42 L CA 1.971 56.784 54.840 -0.046 0.000 0.749 42 L CB -0.292 41.742 42.059 -0.042 0.000 0.903 42 L HN 0.687 nan 8.230 nan 0.000 0.439 43 G N -1.343 107.416 108.800 -0.068 0.000 2.992 43 G HA2 -0.079 3.873 3.960 -0.014 0.000 0.677 43 G HA3 -0.079 3.873 3.960 -0.014 0.000 0.677 43 G C 0.376 175.229 174.900 -0.078 0.000 1.191 43 G CA 0.303 45.361 45.100 -0.069 0.000 1.178 43 G HN 0.621 nan 8.290 nan 0.000 0.506 44 V N 2.114 121.970 119.914 -0.096 0.000 2.408 44 V HA -0.446 3.666 4.120 -0.014 0.000 0.231 44 V C 2.379 178.401 176.094 -0.122 0.000 1.017 44 V CA 3.813 66.047 62.300 -0.111 0.000 1.102 44 V CB -0.788 30.972 31.823 -0.105 0.000 0.904 44 V HN 1.394 nan 8.190 nan 0.000 0.489 45 E N -1.165 118.960 120.200 -0.124 0.000 2.253 45 E HA -0.275 4.067 4.350 -0.014 0.000 0.202 45 E C 2.226 178.771 176.600 -0.092 0.000 1.014 45 E CA 1.924 58.245 56.400 -0.132 0.000 0.823 45 E CB -0.068 29.575 29.700 -0.095 0.000 0.736 45 E HN 0.723 nan 8.360 nan 0.000 0.478 46 R N -0.837 119.623 120.500 -0.067 0.000 2.048 46 R HA 0.013 4.345 4.340 -0.014 0.000 0.221 46 R C 2.490 178.776 176.300 -0.024 0.000 1.174 46 R CA 1.476 57.552 56.100 -0.040 0.000 0.971 46 R CB -1.120 29.159 30.300 -0.035 0.000 0.863 46 R HN 0.172 nan 8.270 nan 0.000 0.439 47 T N 2.108 116.647 114.554 -0.025 0.000 2.701 47 T HA -0.230 4.112 4.350 -0.014 0.000 0.265 47 T C 1.866 176.590 174.700 0.040 0.000 1.032 47 T CA 1.852 63.961 62.100 0.015 0.000 1.158 47 T CB -0.242 68.613 68.868 -0.021 0.000 0.854 47 T HN 0.324 nan 8.240 nan 0.000 0.463 48 R N 0.850 121.340 120.500 -0.016 0.000 2.148 48 R HA 0.011 4.343 4.340 -0.014 0.000 0.223 48 R C 2.713 179.020 176.300 0.011 0.000 1.088 48 R CA 1.544 57.635 56.100 -0.014 0.000 0.985 48 R CB -0.185 30.035 30.300 -0.134 0.000 0.880 48 R HN 0.554 nan 8.270 nan 0.000 0.451 49 S N -0.937 114.763 115.700 0.001 0.000 2.523 49 S HA 0.158 4.619 4.470 -0.014 0.000 0.217 49 S C 1.182 175.804 174.600 0.038 0.000 0.996 49 S CA -0.284 57.927 58.200 0.017 0.000 0.921 49 S CB 0.580 63.779 63.200 -0.002 0.000 0.829 49 S HN 0.240 nan 8.310 nan 0.000 0.495 50 E N -0.226 120.003 120.200 0.047 0.000 2.502 50 E HA 0.243 4.585 4.350 -0.014 0.000 0.206 50 E C 1.278 177.941 176.600 0.106 0.000 0.821 50 E CA 0.065 56.501 56.400 0.061 0.000 1.354 50 E CB -0.128 29.584 29.700 0.020 0.000 1.336 50 E HN 0.287 nan 8.360 nan 0.000 0.675 51 L N 1.557 122.847 121.223 0.111 0.000 2.131 51 L HA 0.066 4.397 4.340 -0.014 0.000 0.206 51 L C 1.868 178.890 176.870 0.253 0.000 1.087 51 L CA 1.390 56.336 54.840 0.176 0.000 0.767 51 L CB -0.160 42.002 42.059 0.171 0.000 0.917 51 L HN 0.071 nan 8.230 nan 0.000 0.441 52 L N -0.330 121.008 121.223 0.191 0.000 2.068 52 L HA -0.026 4.306 4.340 -0.014 0.000 0.204 52 L C -0.278 176.679 176.870 0.144 0.000 1.076 52 L CA 0.835 55.771 54.840 0.160 0.000 0.753 52 L CB -1.837 40.302 42.059 0.134 0.000 0.910 52 L HN 0.184 nan 8.230 nan 0.000 0.439 53 P HA -0.182 nan 4.420 nan 0.000 0.231 53 P C 1.106 178.500 177.300 0.157 0.000 1.158 53 P CA 1.238 64.407 63.100 0.116 0.000 0.763 53 P CB -0.015 31.744 31.700 0.099 0.000 0.805 54 F N -0.962 119.019 119.950 0.051 0.000 2.437 54 F HA 0.148 4.666 4.527 -0.015 0.000 0.288 54 F C 1.583 177.433 175.800 0.084 0.000 1.085 54 F CA 0.617 58.652 58.000 0.058 0.000 1.430 54 F CB -0.449 38.588 39.000 0.062 0.000 1.120 54 F HN -0.316 nan 8.300 nan 0.000 0.556 55 L N -0.030 121.228 121.223 0.058 0.000 2.240 55 L HA -0.085 4.247 4.340 -0.014 0.000 0.211 55 L C 2.107 178.930 176.870 -0.079 0.000 1.106 55 L CA 1.300 56.101 54.840 -0.064 0.000 0.793 55 L CB -0.845 41.257 42.059 0.071 0.000 0.927 55 L HN 0.173 nan 8.230 nan 0.000 0.446 56 T N -1.304 113.230 114.554 -0.033 0.000 2.851 56 T HA -0.087 4.255 4.350 -0.014 0.000 0.262 56 T C 0.859 175.525 174.700 -0.057 0.000 1.043 56 T CA 0.927 63.010 62.100 -0.028 0.000 1.140 56 T CB -0.056 68.816 68.868 0.006 0.000 0.872 56 T HN 0.218 nan 8.240 nan 0.000 0.446 57 D N 2.014 122.366 120.400 -0.080 0.000 2.690 57 D HA 0.166 4.798 4.640 -0.014 0.000 0.236 57 D C -0.397 175.802 176.300 -0.168 0.000 1.218 57 D CA 0.277 54.223 54.000 -0.090 0.000 0.829 57 D CB 0.163 40.935 40.800 -0.047 0.000 1.009 57 D HN 0.216 nan 8.370 nan 0.000 0.482 58 T N 1.035 115.469 114.554 -0.200 0.000 3.066 58 T HA 0.328 4.670 4.350 -0.014 0.000 0.318 58 T C 0.478 175.109 174.700 -0.114 0.000 0.979 58 T CA -0.530 61.411 62.100 -0.265 0.000 1.025 58 T CB 1.043 69.585 68.868 -0.545 0.000 1.002 58 T HN -0.010 nan 8.240 nan 0.000 0.453 59 I N 3.652 124.144 120.570 -0.130 0.000 2.421 59 I HA 0.263 4.425 4.170 -0.014 0.000 0.291 59 I C -0.340 175.724 176.117 -0.087 0.000 1.089 59 I CA -0.454 60.810 61.300 -0.059 0.000 1.354 59 I CB -0.042 37.912 38.000 -0.077 0.000 1.413 59 I HN 0.484 nan 8.210 nan 0.000 0.513 60 Y N 5.052 125.294 120.300 -0.098 0.000 2.320 60 Y HA 0.183 4.725 4.550 -0.014 0.000 0.324 60 Y C 0.992 176.854 175.900 -0.064 0.000 1.190 60 Y CA -0.245 57.810 58.100 -0.075 0.000 1.215 60 Y CB 0.986 39.405 38.460 -0.067 0.000 1.221 60 Y HN 0.539 nan 8.280 nan 0.000 0.486 61 D N 0.652 121.099 120.400 0.078 0.000 2.589 61 D HA -0.006 4.626 4.640 -0.014 0.000 0.262 61 D C -0.332 175.995 176.300 0.044 0.000 1.410 61 D CA 0.439 54.456 54.000 0.029 0.000 1.044 61 D CB -0.363 40.433 40.800 -0.005 0.000 1.016 61 D HN 0.608 nan 8.370 nan 0.000 0.349 62 E N 2.131 122.357 120.200 0.044 0.000 3.326 62 E HA -0.127 4.215 4.350 -0.014 0.000 0.285 62 E C 0.181 176.801 176.600 0.034 0.000 0.864 62 E CA 0.497 56.919 56.400 0.037 0.000 0.984 62 E CB 0.222 29.952 29.700 0.050 0.000 0.952 62 E HN 0.129 nan 8.360 nan 0.000 0.525 63 D N 2.656 123.064 120.400 0.013 0.000 2.137 63 D HA -0.134 4.498 4.640 -0.014 0.000 0.202 63 D C 1.552 177.850 176.300 -0.003 0.000 0.970 63 D CA 1.279 55.280 54.000 0.001 0.000 0.837 63 D CB -0.187 40.611 40.800 -0.004 0.000 0.981 63 D HN 0.754 nan 8.370 nan 0.000 0.475 64 E N 0.670 120.872 120.200 0.003 0.000 2.108 64 E HA -0.220 4.122 4.350 -0.014 0.000 0.203 64 E C 1.954 178.547 176.600 -0.012 0.000 1.022 64 E CA 1.332 57.732 56.400 -0.000 0.000 0.823 64 E CB 0.030 29.735 29.700 0.009 0.000 0.744 64 E HN 0.003 nan 8.360 nan 0.000 0.456 65 V N 0.791 120.703 119.914 -0.004 0.000 2.270 65 V HA -0.256 3.856 4.120 -0.014 0.000 0.245 65 V C 2.454 178.482 176.094 -0.111 0.000 1.043 65 V CA 1.697 63.975 62.300 -0.037 0.000 1.014 65 V CB -0.407 31.435 31.823 0.032 0.000 0.645 65 V HN 0.381 nan 8.190 nan 0.000 0.447 66 L N -0.713 120.462 121.223 -0.081 0.000 2.042 66 L HA -0.215 4.116 4.340 -0.014 0.000 0.210 66 L C 2.494 179.307 176.870 -0.094 0.000 1.076 66 L CA 1.400 56.176 54.840 -0.107 0.000 0.749 66 L CB -0.585 41.444 42.059 -0.050 0.000 0.893 66 L HN 0.378 nan 8.230 nan 0.000 0.432 67 L N 0.187 121.375 121.223 -0.059 0.000 2.012 67 L HA -0.183 4.149 4.340 -0.014 0.000 0.210 67 L C 2.601 179.436 176.870 -0.058 0.000 1.073 67 L CA 2.194 57.006 54.840 -0.046 0.000 0.748 67 L CB -0.895 41.149 42.059 -0.025 0.000 0.891 67 L HN 0.150 nan 8.230 nan 0.000 0.431 68 A N -0.527 122.254 122.820 -0.066 0.000 1.858 68 A HA -0.199 4.113 4.320 -0.014 0.000 0.216 68 A C 2.253 179.773 177.584 -0.106 0.000 1.190 68 A CA 1.820 53.816 52.037 -0.068 0.000 0.617 68 A CB -1.210 17.756 19.000 -0.057 0.000 0.827 68 A HN 0.506 nan 8.150 nan 0.000 0.443 69 L N -0.030 121.095 121.223 -0.162 0.000 2.081 69 L HA -0.172 4.160 4.340 -0.014 0.000 0.212 69 L C 2.539 179.299 176.870 -0.183 0.000 1.080 69 L CA 2.359 57.071 54.840 -0.214 0.000 0.754 69 L CB -0.798 41.069 42.059 -0.321 0.000 0.893 69 L HN 0.367 nan 8.230 nan 0.000 0.433 70 A N -0.962 121.777 122.820 -0.135 0.000 1.898 70 A HA -0.227 4.085 4.320 -0.014 0.000 0.216 70 A C 2.339 179.873 177.584 -0.083 0.000 1.181 70 A CA 1.569 53.546 52.037 -0.100 0.000 0.620 70 A CB -0.690 18.270 19.000 -0.067 0.000 0.819 70 A HN 0.633 nan 8.150 nan 0.000 0.442 71 E N -0.758 119.401 120.200 -0.068 0.000 2.051 71 E HA -0.279 4.063 4.350 -0.014 0.000 0.192 71 E C 2.173 178.742 176.600 -0.052 0.000 0.991 71 E CA 1.530 57.904 56.400 -0.043 0.000 0.799 71 E CB -0.138 29.546 29.700 -0.026 0.000 0.748 71 E HN 0.553 nan 8.360 nan 0.000 0.449 72 Q N 0.901 120.649 119.800 -0.087 0.000 1.927 72 Q HA -0.158 4.174 4.340 -0.014 0.000 0.210 72 Q C 2.336 178.202 176.000 -0.223 0.000 1.001 72 Q CA 1.829 57.567 55.803 -0.109 0.000 0.862 72 Q CB -0.715 27.919 28.738 -0.174 0.000 0.934 72 Q HN 0.380 nan 8.270 nan 0.000 0.420 73 L N -0.403 120.567 121.223 -0.422 0.000 2.356 73 L HA -0.292 4.040 4.340 -0.014 0.000 0.219 73 L C 1.863 178.656 176.870 -0.130 0.000 1.095 73 L CA 1.190 55.774 54.840 -0.427 0.000 0.784 73 L CB -0.759 41.134 42.059 -0.277 0.000 0.890 73 L HN 0.459 nan 8.230 nan 0.000 0.441 74 G N -1.773 107.001 108.800 -0.044 0.000 2.920 74 G HA2 -0.091 3.861 3.960 -0.014 0.000 0.208 74 G HA3 -0.091 3.861 3.960 -0.014 0.000 0.208 74 G C 1.353 176.304 174.900 0.085 0.000 1.159 74 G CA 0.864 45.985 45.100 0.034 0.000 0.784 74 G HN 0.495 nan 8.290 nan 0.000 0.535 75 T N -3.260 111.382 114.554 0.147 0.000 2.985 75 T HA 0.198 4.540 4.350 -0.014 0.000 0.254 75 T C 1.420 176.314 174.700 0.323 0.000 1.021 75 T CA -0.392 61.831 62.100 0.204 0.000 0.957 75 T CB -0.197 68.781 68.868 0.184 0.000 1.047 75 T HN -0.036 nan 8.240 nan 0.000 0.511 76 F N 3.479 123.442 119.950 0.021 0.000 2.788 76 F HA 0.124 4.642 4.527 -0.016 0.000 0.300 76 F C 2.122 177.933 175.800 0.018 0.000 1.229 76 F CA -0.469 57.543 58.000 0.020 0.000 1.446 76 F CB -1.428 37.588 39.000 0.028 0.000 1.118 76 F HN 0.226 nan 8.300 nan 0.000 0.579 77 T N -1.573 113.084 114.554 0.172 0.000 2.699 77 T HA -0.221 4.121 4.350 -0.014 0.000 0.268 77 T C 2.062 176.788 174.700 0.044 0.000 1.036 77 T CA 2.185 64.337 62.100 0.086 0.000 1.147 77 T CB -0.398 68.504 68.868 0.056 0.000 0.862 77 T HN 0.261 nan 8.240 nan 0.000 0.446 78 T N 1.952 116.519 114.554 0.021 0.000 2.818 78 T HA 0.143 4.485 4.350 -0.014 0.000 0.246 78 T C 1.856 176.521 174.700 -0.059 0.000 1.036 78 T CA 0.410 62.500 62.100 -0.017 0.000 1.160 78 T CB -0.481 68.369 68.868 -0.029 0.000 0.869 78 T HN 0.088 nan 8.240 nan 0.000 0.419 79 L N 1.352 122.487 121.223 -0.146 0.000 2.357 79 L HA -0.032 4.300 4.340 -0.014 0.000 0.220 79 L C 2.198 178.952 176.870 -0.194 0.000 1.123 79 L CA 0.948 55.630 54.840 -0.263 0.000 0.782 79 L CB -0.765 40.927 42.059 -0.612 0.000 0.910 79 L HN 0.128 nan 8.230 nan 0.000 0.442 80 V N -1.101 118.768 119.914 -0.074 0.000 3.650 80 V HA 0.359 4.471 4.120 -0.014 0.000 0.271 80 V C 1.436 177.525 176.094 -0.008 0.000 1.281 80 V CA 0.883 63.178 62.300 -0.008 0.000 1.120 80 V CB 0.248 32.135 31.823 0.107 0.000 0.856 80 V HN 0.622 nan 8.190 nan 0.000 0.443 81 G N -0.952 107.859 108.800 0.019 0.000 2.151 81 G HA2 0.187 4.139 3.960 -0.014 0.000 0.140 81 G HA3 0.187 4.139 3.960 -0.014 0.000 0.140 81 G C 0.887 175.878 174.900 0.151 0.000 1.020 81 G CA 0.049 45.211 45.100 0.103 0.000 0.688 81 G HN 1.762 nan 8.290 nan 0.000 0.500 82 G N -0.480 108.357 108.800 0.061 0.000 2.877 82 G HA2 0.091 4.043 3.960 -0.014 0.000 0.279 82 G HA3 0.091 4.043 3.960 -0.014 0.000 0.279 82 G C -0.687 174.187 174.900 -0.043 0.000 1.431 82 G CA 0.162 45.269 45.100 0.010 0.000 0.883 82 G HN 0.637 nan 8.290 nan 0.000 0.547 83 P HA -0.205 nan 4.420 nan 0.000 0.225 83 P C 1.545 178.683 177.300 -0.269 0.000 1.154 83 P CA 2.117 65.119 63.100 -0.164 0.000 0.885 83 P CB 0.010 31.639 31.700 -0.118 0.000 0.785 84 E N -2.298 117.713 120.200 -0.315 0.000 2.153 84 E HA -0.186 4.156 4.350 -0.014 0.000 0.194 84 E C 0.644 176.738 176.600 -0.843 0.000 0.988 84 E CA 0.997 57.054 56.400 -0.572 0.000 0.811 84 E CB -0.146 29.117 29.700 -0.730 0.000 0.746 84 E HN 0.429 nan 8.360 nan 0.000 0.466 85 Y N -1.927 118.170 120.300 -0.338 0.000 2.641 85 Y HA 0.142 4.690 4.550 -0.003 0.000 0.248 85 Y C 1.283 176.920 175.900 -0.438 0.000 1.170 85 Y CA -0.351 57.458 58.100 -0.485 0.000 1.201 85 Y CB 0.747 39.090 38.460 -0.195 0.000 1.232 85 Y HN -0.101 nan 8.280 nan 0.000 0.537 86 V N 1.143 120.879 119.914 -0.295 0.000 2.568 86 V HA -0.298 3.814 4.120 -0.014 0.000 0.253 86 V C 2.176 178.198 176.094 -0.120 0.000 1.072 86 V CA 2.428 64.609 62.300 -0.198 0.000 1.084 86 V CB -0.423 31.213 31.823 -0.312 0.000 0.676 86 V HN 0.736 nan 8.190 nan 0.000 0.469 87 H N -2.914 116.113 119.070 -0.072 0.000 2.568 87 H HA -0.022 4.522 4.556 -0.021 0.000 0.275 87 H C 1.754 177.228 175.328 0.244 0.000 1.028 87 H CA 0.892 57.051 56.048 0.184 0.000 1.173 87 H CB -1.592 28.371 29.762 0.335 0.000 1.335 87 H HN 0.421 nan 8.280 nan 0.000 0.614 88 C N -0.274 119.273 119.300 0.411 0.000 2.634 88 C HA 0.222 4.673 4.460 -0.014 0.000 0.268 88 C C 1.947 177.073 174.990 0.227 0.000 1.322 88 C CA -0.157 59.072 59.018 0.352 0.000 1.737 88 C CB -1.110 26.788 27.740 0.264 0.000 1.976 88 C HN 0.542 nan 8.230 nan 0.000 0.547 89 L N 0.209 121.560 121.223 0.215 0.000 2.418 89 L HA 0.108 4.439 4.340 -0.014 0.000 0.218 89 L C 2.121 179.082 176.870 0.152 0.000 1.125 89 L CA 1.235 56.172 54.840 0.161 0.000 0.835 89 L CB -0.729 41.424 42.059 0.157 0.000 0.953 89 L HN 0.297 nan 8.230 nan 0.000 0.454 90 L N 0.020 121.372 121.223 0.215 0.000 1.951 90 L HA -0.244 4.088 4.340 -0.014 0.000 0.222 90 L C 0.063 176.980 176.870 0.078 0.000 1.078 90 L CA 1.799 56.742 54.840 0.172 0.000 0.778 90 L CB -2.063 40.127 42.059 0.219 0.000 0.893 90 L HN 0.175 nan 8.230 nan 0.000 0.436 91 P HA -0.228 nan 4.420 nan 0.000 0.226 91 P C -1.445 175.858 177.300 0.005 0.000 1.154 91 P CA 2.356 65.469 63.100 0.022 0.000 0.918 91 P CB -0.969 30.748 31.700 0.029 0.000 0.790 92 P HA 0.005 nan 4.420 nan 0.000 0.226 92 P C 1.518 178.799 177.300 -0.031 0.000 1.161 92 P CA 1.094 64.182 63.100 -0.020 0.000 0.804 92 P CB -0.173 31.509 31.700 -0.029 0.000 0.829 93 L N -0.013 121.201 121.223 -0.015 0.000 2.179 93 L HA 0.001 4.332 4.340 -0.014 0.000 0.208 93 L C 2.790 179.648 176.870 -0.020 0.000 1.096 93 L CA 1.082 55.913 54.840 -0.016 0.000 0.779 93 L CB -0.814 41.255 42.059 0.016 0.000 0.922 93 L HN -0.017 nan 8.230 nan 0.000 0.443 94 E N -0.101 120.087 120.200 -0.020 0.000 2.204 94 E HA -0.180 4.162 4.350 -0.014 0.000 0.195 94 E C 2.112 178.691 176.600 -0.036 0.000 0.990 94 E CA 1.165 57.543 56.400 -0.038 0.000 0.821 94 E CB 0.231 29.906 29.700 -0.042 0.000 0.750 94 E HN 0.371 nan 8.360 nan 0.000 0.477 95 S N 0.370 116.049 115.700 -0.034 0.000 2.362 95 S HA -0.024 4.437 4.470 -0.014 0.000 0.221 95 S C 1.927 176.502 174.600 -0.043 0.000 1.032 95 S CA 0.430 58.606 58.200 -0.039 0.000 0.973 95 S CB -0.078 63.100 63.200 -0.037 0.000 0.849 95 S HN 0.239 nan 8.310 nan 0.000 0.465 96 L N 1.407 122.604 121.223 -0.043 0.000 2.127 96 L HA -0.133 4.199 4.340 -0.014 0.000 0.211 96 L C 2.587 179.435 176.870 -0.036 0.000 1.089 96 L CA 1.108 55.920 54.840 -0.046 0.000 0.757 96 L CB -0.566 41.461 42.059 -0.053 0.000 0.899 96 L HN 0.311 nan 8.230 nan 0.000 0.434 97 A N -1.236 121.566 122.820 -0.030 0.000 2.125 97 A HA -0.159 4.153 4.320 -0.014 0.000 0.219 97 A C 2.300 179.872 177.584 -0.020 0.000 1.156 97 A CA 2.022 54.048 52.037 -0.018 0.000 0.671 97 A CB -0.557 18.430 19.000 -0.020 0.000 0.794 97 A HN 0.365 nan 8.150 nan 0.000 0.459 98 T N -0.562 113.969 114.554 -0.038 0.000 3.031 98 T HA 0.129 4.471 4.350 -0.014 0.000 0.254 98 T C 0.721 175.367 174.700 -0.089 0.000 1.060 98 T CA 0.348 62.415 62.100 -0.056 0.000 1.135 98 T CB -0.311 68.521 68.868 -0.061 0.000 0.896 98 T HN 0.128 nan 8.240 nan 0.000 0.472 99 V N 3.096 122.963 119.914 -0.079 0.000 2.902 99 V HA -0.131 3.981 4.120 -0.014 0.000 0.297 99 V C 1.521 177.551 176.094 -0.107 0.000 1.230 99 V CA 0.604 62.849 62.300 -0.092 0.000 1.344 99 V CB 0.206 31.993 31.823 -0.062 0.000 0.889 99 V HN 0.510 nan 8.190 nan 0.000 0.515 100 E N 1.997 122.112 120.200 -0.141 0.000 2.001 100 E HA -0.145 4.197 4.350 -0.014 0.000 0.195 100 E C 1.004 177.569 176.600 -0.059 0.000 1.002 100 E CA 0.627 56.938 56.400 -0.147 0.000 0.819 100 E CB -0.075 29.519 29.700 -0.177 0.000 0.769 100 E HN 0.705 nan 8.360 nan 0.000 0.454 101 E N 2.087 122.261 120.200 -0.042 0.000 2.757 101 E HA -0.096 4.246 4.350 -0.014 0.000 0.238 101 E C 0.864 177.467 176.600 0.005 0.000 1.057 101 E CA 0.359 56.753 56.400 -0.010 0.000 0.952 101 E CB 0.399 30.091 29.700 -0.013 0.000 0.934 101 E HN 0.328 nan 8.360 nan 0.000 0.518 102 T N 1.236 115.808 114.554 0.030 0.000 2.493 102 T HA -0.308 4.033 4.350 -0.014 0.000 0.256 102 T C 1.941 176.658 174.700 0.028 0.000 1.195 102 T CA 1.996 64.121 62.100 0.042 0.000 1.183 102 T CB -0.886 68.019 68.868 0.060 0.000 0.863 102 T HN 0.272 nan 8.240 nan 0.000 0.418 103 V N 1.755 121.683 119.914 0.024 0.000 2.243 103 V HA -0.284 3.828 4.120 -0.014 0.000 0.258 103 V C 2.875 178.974 176.094 0.009 0.000 1.073 103 V CA 2.408 64.719 62.300 0.017 0.000 1.069 103 V CB -1.524 30.307 31.823 0.012 0.000 0.681 103 V HN 0.503 nan 8.190 nan 0.000 0.457 104 V N 1.095 121.009 119.914 -0.001 0.000 2.231 104 V HA -0.339 3.773 4.120 -0.014 0.000 0.248 104 V C 2.731 178.819 176.094 -0.010 0.000 1.054 104 V CA 2.942 65.235 62.300 -0.013 0.000 1.015 104 V CB -0.845 30.964 31.823 -0.022 0.000 0.638 104 V HN 0.801 nan 8.190 nan 0.000 0.444 105 R N -0.234 120.263 120.500 -0.004 0.000 2.237 105 R HA -0.123 4.209 4.340 -0.014 0.000 0.219 105 R C 1.700 178.011 176.300 0.018 0.000 1.080 105 R CA 1.740 57.841 56.100 0.001 0.000 0.995 105 R CB -0.592 29.710 30.300 0.002 0.000 0.875 105 R HN 0.417 nan 8.270 nan 0.000 0.462 106 D N 1.026 121.440 120.400 0.024 0.000 2.117 106 D HA -0.091 4.540 4.640 -0.014 0.000 0.198 106 D C 1.524 177.840 176.300 0.028 0.000 0.982 106 D CA 0.980 55.000 54.000 0.034 0.000 0.828 106 D CB 0.068 40.889 40.800 0.035 0.000 0.967 106 D HN 0.114 nan 8.370 nan 0.000 0.464 107 K N 0.721 121.130 120.400 0.015 0.000 2.103 107 K HA 0.065 4.377 4.320 -0.014 0.000 0.204 107 K C 1.967 178.572 176.600 0.008 0.000 1.052 107 K CA 0.568 56.860 56.287 0.009 0.000 0.945 107 K CB -0.285 32.213 32.500 -0.004 0.000 0.722 107 K HN -0.005 nan 8.250 nan 0.000 0.443 108 A N 0.823 123.644 122.820 0.001 0.000 1.986 108 A HA -0.147 4.165 4.320 -0.014 0.000 0.220 108 A C 2.367 179.963 177.584 0.021 0.000 1.171 108 A CA 1.757 53.793 52.037 -0.001 0.000 0.640 108 A CB -0.471 18.523 19.000 -0.011 0.000 0.811 108 A HN 0.092 nan 8.150 nan 0.000 0.451 109 V N -0.701 119.232 119.914 0.032 0.000 2.446 109 V HA -0.167 3.944 4.120 -0.014 0.000 0.244 109 V C 2.374 178.507 176.094 0.066 0.000 1.039 109 V CA 1.724 64.056 62.300 0.053 0.000 1.045 109 V CB -0.542 31.317 31.823 0.060 0.000 0.681 109 V HN 0.753 nan 8.190 nan 0.000 0.459 110 E N 0.355 120.586 120.200 0.051 0.000 2.136 110 E HA -0.278 4.063 4.350 -0.014 0.000 0.202 110 E C 2.260 178.888 176.600 0.048 0.000 1.019 110 E CA 2.027 58.455 56.400 0.045 0.000 0.819 110 E CB -0.062 29.656 29.700 0.029 0.000 0.739 110 E HN 0.591 nan 8.360 nan 0.000 0.458 111 S N 0.314 116.043 115.700 0.048 0.000 2.357 111 S HA -0.061 4.401 4.470 -0.014 0.000 0.221 111 S C 1.974 176.640 174.600 0.110 0.000 1.031 111 S CA 0.851 59.086 58.200 0.058 0.000 0.982 111 S CB -0.198 63.023 63.200 0.034 0.000 0.853 111 S HN 0.280 nan 8.310 nan 0.000 0.458 112 L N 1.179 122.488 121.223 0.144 0.000 2.129 112 L HA -0.159 4.173 4.340 -0.014 0.000 0.212 112 L C 2.665 179.720 176.870 0.308 0.000 1.087 112 L CA 1.272 56.277 54.840 0.276 0.000 0.757 112 L CB -0.602 41.596 42.059 0.233 0.000 0.896 112 L HN 0.261 nan 8.230 nan 0.000 0.434 113 R N 0.045 120.669 120.500 0.207 0.000 2.066 113 R HA -0.109 4.223 4.340 -0.014 0.000 0.232 113 R C 2.505 178.853 176.300 0.080 0.000 1.131 113 R CA 1.276 57.480 56.100 0.174 0.000 0.955 113 R CB -0.494 29.884 30.300 0.130 0.000 0.851 113 R HN 0.360 nan 8.270 nan 0.000 0.432 114 A N 2.271 125.106 122.820 0.025 0.000 1.834 114 A HA -0.172 4.140 4.320 -0.014 0.000 0.216 114 A C 2.169 179.753 177.584 -0.001 0.000 1.203 114 A CA 1.727 53.730 52.037 -0.056 0.000 0.621 114 A CB -0.817 18.174 19.000 -0.016 0.000 0.841 114 A HN 0.502 nan 8.150 nan 0.000 0.446 115 I N -1.234 119.391 120.570 0.091 0.000 3.241 115 I HA -0.043 4.119 4.170 -0.014 0.000 0.280 115 I C 1.953 178.203 176.117 0.222 0.000 1.320 115 I CA 1.430 62.827 61.300 0.161 0.000 1.413 115 I CB -0.231 37.902 38.000 0.222 0.000 1.060 115 I HN 0.343 nan 8.210 nan 0.000 0.500 116 S N 1.925 117.648 115.700 0.037 0.000 2.338 116 S HA -0.271 4.190 4.470 -0.014 0.000 0.218 116 S C 1.953 176.515 174.600 -0.064 0.000 1.032 116 S CA 1.701 59.657 58.200 -0.407 0.000 0.999 116 S CB -0.610 62.326 63.200 -0.440 0.000 0.905 116 S HN 0.678 nan 8.310 nan 0.000 0.439 117 H N 1.763 120.760 119.070 -0.122 0.000 2.496 117 H HA 0.014 4.562 4.556 -0.013 0.000 0.296 117 H C 1.995 177.313 175.328 -0.017 0.000 1.107 117 H CA 1.636 57.645 56.048 -0.064 0.000 1.263 117 H CB -0.259 29.483 29.762 -0.034 0.000 1.369 117 H HN 0.520 nan 8.280 nan 0.000 0.541 118 E N 0.147 120.446 120.200 0.166 0.000 2.435 118 E HA -0.016 4.325 4.350 -0.014 0.000 0.195 118 E C 0.161 176.752 176.600 -0.014 0.000 1.029 118 E CA 0.100 56.537 56.400 0.061 0.000 0.865 118 E CB 0.077 29.788 29.700 0.019 0.000 0.833 118 E HN 0.676 nan 8.360 nan 0.000 0.510 119 H N 0.953 119.964 119.070 -0.098 0.000 2.615 119 H HA 0.154 4.697 4.556 -0.021 0.000 0.363 119 H C 0.634 175.902 175.328 -0.099 0.000 1.148 119 H CA -0.036 55.953 56.048 -0.097 0.000 1.401 119 H CB 1.003 30.684 29.762 -0.134 0.000 1.461 119 H HN -0.037 nan 8.280 nan 0.000 0.588 120 S N 2.719 118.420 115.700 0.002 0.000 2.525 120 S HA 0.088 4.550 4.470 -0.014 0.000 0.278 120 S C -1.633 172.955 174.600 -0.020 0.000 1.234 120 S CA -1.439 56.743 58.200 -0.030 0.000 1.058 120 S CB 1.889 65.055 63.200 -0.057 0.000 0.983 120 S HN 0.455 nan 8.310 nan 0.000 0.495 121 P HA -0.214 nan 4.420 nan 0.000 0.219 121 P C 1.344 178.624 177.300 -0.033 0.000 1.153 121 P CA 1.597 64.672 63.100 -0.041 0.000 0.865 121 P CB -0.259 31.410 31.700 -0.053 0.000 0.788 122 S N -0.132 115.545 115.700 -0.038 0.000 2.359 122 S HA -0.164 4.298 4.470 -0.014 0.000 0.224 122 S C 1.699 176.265 174.600 -0.057 0.000 1.035 122 S CA 1.644 59.818 58.200 -0.044 0.000 1.018 122 S CB -0.910 62.260 63.200 -0.049 0.000 0.876 122 S HN 0.253 nan 8.310 nan 0.000 0.448 123 D N 1.403 121.768 120.400 -0.059 0.000 2.077 123 D HA 0.003 4.634 4.640 -0.014 0.000 0.196 123 D C 2.086 178.397 176.300 0.019 0.000 0.986 123 D CA 0.571 54.513 54.000 -0.098 0.000 0.829 123 D CB -0.522 40.275 40.800 -0.005 0.000 0.983 123 D HN 0.212 nan 8.370 nan 0.000 0.453 124 L N 1.193 122.466 121.223 0.083 0.000 1.987 124 L HA -0.286 4.045 4.340 -0.014 0.000 0.230 124 L C 2.372 179.298 176.870 0.093 0.000 1.089 124 L CA 1.733 56.627 54.840 0.089 0.000 0.802 124 L CB -0.577 41.480 42.059 -0.005 0.000 0.905 124 L HN 0.117 nan 8.230 nan 0.000 0.441 125 E N -1.005 119.215 120.200 0.033 0.000 2.273 125 E HA -0.243 4.098 4.350 -0.014 0.000 0.198 125 E C 1.780 178.406 176.600 0.043 0.000 1.002 125 E CA 1.120 57.534 56.400 0.023 0.000 0.828 125 E CB -0.074 29.625 29.700 -0.003 0.000 0.747 125 E HN 0.582 nan 8.360 nan 0.000 0.491 126 A N -0.911 121.940 122.820 0.052 0.000 2.167 126 A HA 0.084 4.396 4.320 -0.014 0.000 0.208 126 A C 1.326 179.108 177.584 0.330 0.000 1.198 126 A CA 0.303 52.408 52.037 0.114 0.000 0.863 126 A CB 0.088 19.108 19.000 0.034 0.000 0.904 126 A HN 0.216 nan 8.150 nan 0.000 0.484 127 H N -3.938 115.180 119.070 0.081 0.000 2.348 127 H HA 0.214 4.770 4.556 0.001 0.000 0.233 127 H C 1.695 177.091 175.328 0.113 0.000 0.889 127 H CA 0.266 56.364 56.048 0.084 0.000 1.034 127 H CB 0.141 29.969 29.762 0.109 0.000 1.393 127 H HN 0.381 nan 8.280 nan 0.000 0.422 128 F N 1.976 122.003 119.950 0.128 0.000 2.039 128 F HA -0.177 4.338 4.527 -0.020 0.000 0.294 128 F C 2.286 178.043 175.800 -0.073 0.000 1.130 128 F CA 1.101 59.078 58.000 -0.038 0.000 1.189 128 F CB -0.521 38.334 39.000 -0.242 0.000 0.983 128 F HN -0.180 nan 8.300 nan 0.000 0.471 129 V N 1.293 121.261 119.914 0.090 0.000 2.278 129 V HA -0.302 3.810 4.120 -0.014 0.000 0.251 129 V C -0.463 175.533 176.094 -0.164 0.000 1.062 129 V CA 2.706 64.966 62.300 -0.066 0.000 1.038 129 V CB -1.605 30.211 31.823 -0.013 0.000 0.646 129 V HN 0.219 nan 8.190 nan 0.000 0.447 130 P HA -0.189 nan 4.420 nan 0.000 0.216 130 P C 1.921 179.144 177.300 -0.128 0.000 1.150 130 P CA 1.514 64.562 63.100 -0.087 0.000 0.843 130 P CB -0.074 31.612 31.700 -0.023 0.000 0.787 131 L N -1.277 119.834 121.223 -0.187 0.000 2.093 131 L HA -0.137 4.195 4.340 -0.014 0.000 0.208 131 L C 2.013 178.723 176.870 -0.267 0.000 1.085 131 L CA 1.500 56.208 54.840 -0.221 0.000 0.755 131 L CB -0.715 41.171 42.059 -0.289 0.000 0.904 131 L HN -0.170 nan 8.230 nan 0.000 0.435 132 V N 0.571 120.247 119.914 -0.395 0.000 2.220 132 V HA -0.334 3.778 4.120 -0.014 0.000 0.246 132 V C 2.602 178.563 176.094 -0.221 0.000 1.049 132 V CA 2.398 64.460 62.300 -0.397 0.000 1.003 132 V CB -0.623 30.863 31.823 -0.562 0.000 0.634 132 V HN 0.475 nan 8.190 nan 0.000 0.444 133 K N -0.391 119.877 120.400 -0.221 0.000 2.059 133 K HA -0.261 4.051 4.320 -0.014 0.000 0.212 133 K C 2.349 179.046 176.600 0.162 0.000 1.050 133 K CA 1.902 58.161 56.287 -0.047 0.000 0.927 133 K CB -0.350 32.000 32.500 -0.250 0.000 0.714 133 K HN 0.350 nan 8.250 nan 0.000 0.447 134 R N 0.694 121.221 120.500 0.044 0.000 2.096 134 R HA -0.084 4.248 4.340 -0.014 0.000 0.235 134 R C 2.408 178.740 176.300 0.054 0.000 1.127 134 R CA 1.130 57.262 56.100 0.054 0.000 0.968 134 R CB -0.309 29.993 30.300 0.003 0.000 0.861 134 R HN 0.213 nan 8.270 nan 0.000 0.440 135 L N -0.260 120.975 121.223 0.019 0.000 2.056 135 L HA -0.120 4.211 4.340 -0.014 0.000 0.207 135 L C 2.584 179.509 176.870 0.091 0.000 1.078 135 L CA 1.080 55.938 54.840 0.030 0.000 0.749 135 L CB -0.466 41.584 42.059 -0.015 0.000 0.901 135 L HN 0.237 nan 8.230 nan 0.000 0.433 136 A N -0.089 122.820 122.820 0.149 0.000 1.972 136 A HA -0.106 4.206 4.320 -0.014 0.000 0.219 136 A C 2.218 179.893 177.584 0.153 0.000 1.169 136 A CA 1.664 53.840 52.037 0.232 0.000 0.635 136 A CB -0.873 18.399 19.000 0.453 0.000 0.810 136 A HN 0.456 nan 8.150 nan 0.000 0.446 137 G N -0.542 108.340 108.800 0.135 0.000 2.939 137 G HA2 0.363 4.315 3.960 -0.014 0.000 0.210 137 G HA3 0.363 4.315 3.960 -0.014 0.000 0.210 137 G C 0.861 175.788 174.900 0.046 0.000 1.160 137 G CA 0.439 45.573 45.100 0.056 0.000 0.770 137 G HN 0.779 nan 8.290 nan 0.000 0.543 138 G N 0.507 109.347 108.800 0.066 0.000 2.257 138 G HA2 0.079 4.030 3.960 -0.014 0.000 0.235 138 G HA3 0.079 4.030 3.960 -0.014 0.000 0.235 138 G C 0.520 175.463 174.900 0.071 0.000 1.225 138 G CA -0.032 45.110 45.100 0.070 0.000 0.878 138 G HN 0.070 nan 8.290 nan 0.000 0.505 139 D N 1.149 121.599 120.400 0.084 0.000 2.149 139 D HA -0.066 4.565 4.640 -0.014 0.000 0.198 139 D C 0.426 176.740 176.300 0.024 0.000 0.990 139 D CA 0.872 54.908 54.000 0.061 0.000 0.839 139 D CB 0.096 40.963 40.800 0.112 0.000 0.948 139 D HN 0.498 nan 8.370 nan 0.000 0.460 140 W N 0.404 121.673 121.300 -0.050 0.000 2.417 140 W HA 0.210 4.861 4.660 -0.015 0.000 0.317 140 W C 1.027 177.489 176.519 -0.094 0.000 1.121 140 W CA -1.198 56.081 57.345 -0.110 0.000 1.208 140 W CB 0.452 29.779 29.460 -0.222 0.000 1.253 140 W HN -0.129 nan 8.180 nan 0.000 0.533 141 F N 0.801 120.812 119.950 0.102 0.000 2.087 141 F HA -0.321 4.197 4.527 -0.014 0.000 0.299 141 F C 2.055 177.937 175.800 0.137 0.000 1.100 141 F CA 2.162 60.207 58.000 0.075 0.000 1.226 141 F CB -1.982 37.020 39.000 0.005 0.000 0.983 141 F HN 0.318 nan 8.300 nan 0.000 0.479 142 T N -1.560 112.930 114.554 -0.107 0.000 2.620 142 T HA -0.326 4.015 4.350 -0.014 0.000 0.267 142 T C 1.982 176.745 174.700 0.105 0.000 1.044 142 T CA 2.161 64.284 62.100 0.038 0.000 1.161 142 T CB -1.417 67.354 68.868 -0.160 0.000 0.862 142 T HN 0.460 nan 8.240 nan 0.000 0.438 143 S N 1.921 117.664 115.700 0.072 0.000 2.359 143 S HA -0.137 4.325 4.470 -0.014 0.000 0.222 143 S C 2.278 176.943 174.600 0.109 0.000 1.038 143 S CA 1.711 59.956 58.200 0.074 0.000 1.051 143 S CB -0.437 62.806 63.200 0.071 0.000 0.944 143 S HN 0.562 nan 8.310 nan 0.000 0.433 144 R N 0.528 121.109 120.500 0.135 0.000 2.127 144 R HA -0.046 4.286 4.340 -0.014 0.000 0.238 144 R C 2.593 178.987 176.300 0.156 0.000 1.134 144 R CA 1.536 57.721 56.100 0.142 0.000 0.975 144 R CB -0.915 29.458 30.300 0.121 0.000 0.865 144 R HN 0.304 nan 8.270 nan 0.000 0.447 145 T N 0.188 114.852 114.554 0.184 0.000 2.595 145 T HA -0.187 4.155 4.350 -0.014 0.000 0.264 145 T C 1.900 176.691 174.700 0.153 0.000 1.058 145 T CA 1.974 64.179 62.100 0.174 0.000 1.166 145 T CB -0.237 68.769 68.868 0.230 0.000 0.863 145 T HN 0.256 nan 8.240 nan 0.000 0.415 146 S N 1.325 117.105 115.700 0.134 0.000 2.392 146 S HA -0.225 4.236 4.470 -0.014 0.000 0.225 146 S C 2.460 177.140 174.600 0.133 0.000 1.041 146 S CA 1.453 59.718 58.200 0.109 0.000 1.100 146 S CB -1.062 62.178 63.200 0.068 0.000 1.029 146 S HN 0.657 nan 8.310 nan 0.000 0.424 147 A N 0.669 123.566 122.820 0.129 0.000 1.997 147 A HA -0.354 3.958 4.320 -0.014 0.000 0.226 147 A C 2.410 180.211 177.584 0.361 0.000 1.327 147 A CA 2.289 54.422 52.037 0.160 0.000 0.693 147 A CB -1.885 17.248 19.000 0.222 0.000 0.832 147 A HN 0.692 nan 8.150 nan 0.000 0.497 148 C N -1.462 118.089 119.300 0.419 0.000 2.413 148 C HA 0.022 4.474 4.460 -0.014 0.000 0.277 148 C C 2.841 178.091 174.990 0.434 0.000 1.265 148 C CA 0.554 59.889 59.018 0.528 0.000 1.752 148 C CB -1.849 26.075 27.740 0.307 0.000 1.998 148 C HN 0.774 nan 8.230 nan 0.000 0.489 149 G N 0.005 108.964 108.800 0.264 0.000 2.708 149 G HA2 0.009 3.961 3.960 -0.014 0.000 0.210 149 G HA3 0.009 3.961 3.960 -0.014 0.000 0.210 149 G C 1.243 176.257 174.900 0.189 0.000 1.141 149 G CA 0.339 45.560 45.100 0.200 0.000 0.788 149 G HN 0.608 nan 8.290 nan 0.000 0.531 150 L N -1.180 120.147 121.223 0.173 0.000 2.693 150 L HA 0.351 4.683 4.340 -0.014 0.000 0.235 150 L C 1.677 178.565 176.870 0.029 0.000 1.127 150 L CA -0.311 54.573 54.840 0.073 0.000 0.914 150 L CB 0.030 42.030 42.059 -0.098 0.000 1.193 150 L HN 0.023 nan 8.230 nan 0.000 0.502 151 F N -0.223 119.764 119.950 0.062 0.000 2.234 151 F HA -0.089 4.431 4.527 -0.011 0.000 0.296 151 F C 2.831 178.760 175.800 0.216 0.000 1.089 151 F CA 1.201 59.252 58.000 0.085 0.000 1.343 151 F CB -0.653 38.184 39.000 -0.271 0.000 1.040 151 F HN 0.000 nan 8.300 nan 0.000 0.498 152 S N 0.595 116.502 115.700 0.345 0.000 2.359 152 S HA -0.189 4.272 4.470 -0.014 0.000 0.223 152 S C 2.252 176.959 174.600 0.178 0.000 1.039 152 S CA 1.989 60.334 58.200 0.242 0.000 1.042 152 S CB -0.708 62.598 63.200 0.176 0.000 0.915 152 S HN 0.242 nan 8.310 nan 0.000 0.439 153 V N 0.440 120.454 119.914 0.166 0.000 3.141 153 V HA 0.038 4.150 4.120 -0.014 0.000 0.265 153 V C 2.002 178.100 176.094 0.006 0.000 1.126 153 V CA 1.167 63.516 62.300 0.082 0.000 1.141 153 V CB -1.286 30.618 31.823 0.135 0.000 0.743 153 V HN 0.883 nan 8.190 nan 0.000 0.492 154 C N -3.386 115.982 119.300 0.113 0.000 3.095 154 C HA 0.329 4.780 4.460 -0.014 0.000 0.472 154 C C 2.302 177.344 174.990 0.086 0.000 1.348 154 C CA 0.235 59.289 59.018 0.060 0.000 2.206 154 C CB -1.049 26.798 27.740 0.179 0.000 3.088 154 C HN 0.488 nan 8.230 nan 0.000 0.599 155 Y N 4.127 124.466 120.300 0.066 0.000 2.062 155 Y HA -0.126 4.420 4.550 -0.007 0.000 0.276 155 Y C -0.648 175.245 175.900 -0.011 0.000 1.189 155 Y CA 2.896 61.033 58.100 0.062 0.000 1.130 155 Y CB -1.643 36.881 38.460 0.108 0.000 0.959 155 Y HN 0.222 nan 8.280 nan 0.000 0.499 156 P HA -0.179 nan 4.420 nan 0.000 0.219 156 P C 0.694 177.912 177.300 -0.137 0.000 1.144 156 P CA 2.269 65.326 63.100 -0.073 0.000 0.806 156 P CB -0.041 31.643 31.700 -0.027 0.000 0.771 157 R N -1.446 118.974 120.500 -0.133 0.000 2.437 157 R HA 0.170 4.502 4.340 -0.014 0.000 0.257 157 R C 0.854 177.083 176.300 -0.119 0.000 0.927 157 R CA -0.038 55.989 56.100 -0.122 0.000 1.078 157 R CB 0.236 30.470 30.300 -0.111 0.000 1.161 157 R HN 0.168 nan 8.270 nan 0.000 0.529 158 V N -0.639 119.189 119.914 -0.143 0.000 3.556 158 V HA 0.385 4.497 4.120 -0.014 0.000 0.292 158 V C 0.689 176.701 176.094 -0.137 0.000 1.030 158 V CA -0.866 61.365 62.300 -0.115 0.000 1.009 158 V CB 1.408 33.174 31.823 -0.095 0.000 1.242 158 V HN 0.176 nan 8.190 nan 0.000 0.431 159 S N -0.011 115.630 115.700 -0.099 0.000 2.645 159 S HA 0.287 4.748 4.470 -0.014 0.000 0.266 159 S C 1.180 175.722 174.600 -0.097 0.000 1.258 159 S CA 0.152 58.300 58.200 -0.087 0.000 0.990 159 S CB 0.876 64.046 63.200 -0.050 0.000 0.967 159 S HN 0.974 nan 8.310 nan 0.000 0.556 160 S N 1.482 117.139 115.700 -0.070 0.000 2.368 160 S HA -0.218 4.244 4.470 -0.014 0.000 0.226 160 S C 2.272 176.857 174.600 -0.025 0.000 1.044 160 S CA 1.606 59.775 58.200 -0.051 0.000 1.062 160 S CB -1.348 61.836 63.200 -0.025 0.000 0.931 160 S HN 0.952 nan 8.310 nan 0.000 0.440 161 A N 1.036 123.849 122.820 -0.011 0.000 1.883 161 A HA -0.082 4.230 4.320 -0.014 0.000 0.217 161 A C 2.400 179.998 177.584 0.024 0.000 1.186 161 A CA 1.883 53.928 52.037 0.014 0.000 0.624 161 A CB -1.003 18.005 19.000 0.012 0.000 0.822 161 A HN 0.364 nan 8.150 nan 0.000 0.444 162 V N 0.080 119.993 119.914 -0.001 0.000 2.515 162 V HA -0.237 3.875 4.120 -0.014 0.000 0.250 162 V C 2.388 178.507 176.094 0.042 0.000 1.058 162 V CA 2.164 64.470 62.300 0.010 0.000 1.064 162 V CB -0.688 31.124 31.823 -0.018 0.000 0.675 162 V HN 0.529 nan 8.190 nan 0.000 0.461 163 K N 0.574 120.949 120.400 -0.042 0.000 2.063 163 K HA -0.172 4.140 4.320 -0.014 0.000 0.208 163 K C 2.303 179.097 176.600 0.324 0.000 1.048 163 K CA 1.619 57.873 56.287 -0.056 0.000 0.928 163 K CB -0.429 31.791 32.500 -0.466 0.000 0.713 163 K HN 0.479 nan 8.250 nan 0.000 0.442 164 A N 1.702 124.636 122.820 0.189 0.000 1.969 164 A HA -0.192 4.120 4.320 -0.014 0.000 0.218 164 A C 1.806 179.523 177.584 0.221 0.000 1.169 164 A CA 1.429 53.590 52.037 0.207 0.000 0.635 164 A CB -0.310 18.769 19.000 0.132 0.000 0.810 164 A HN 0.356 nan 8.150 nan 0.000 0.445 165 E N -0.010 120.302 120.200 0.187 0.000 2.158 165 E HA -0.036 4.306 4.350 -0.014 0.000 0.191 165 E C 1.798 178.549 176.600 0.251 0.000 0.982 165 E CA 0.751 57.267 56.400 0.193 0.000 0.823 165 E CB -0.275 29.490 29.700 0.109 0.000 0.766 165 E HN 0.595 nan 8.360 nan 0.000 0.468 166 L N 0.887 122.280 121.223 0.284 0.000 2.141 166 L HA -0.112 4.220 4.340 -0.014 0.000 0.209 166 L C 2.506 179.686 176.870 0.516 0.000 1.094 166 L CA 0.944 56.038 54.840 0.424 0.000 0.763 166 L CB -0.310 42.086 42.059 0.562 0.000 0.908 166 L HN 0.084 nan 8.230 nan 0.000 0.437 167 R N -0.495 120.282 120.500 0.462 0.000 2.148 167 R HA -0.178 4.154 4.340 -0.014 0.000 0.227 167 R C 2.143 178.616 176.300 0.288 0.000 1.103 167 R CA 0.929 57.260 56.100 0.384 0.000 0.983 167 R CB -0.192 30.304 30.300 0.327 0.000 0.874 167 R HN 0.292 nan 8.270 nan 0.000 0.451 168 Q N 0.428 120.409 119.800 0.302 0.000 1.941 168 Q HA -0.153 4.179 4.340 -0.014 0.000 0.201 168 Q C 1.561 177.713 176.000 0.254 0.000 0.982 168 Q CA 1.702 57.651 55.803 0.244 0.000 0.839 168 Q CB -0.571 28.324 28.738 0.263 0.000 0.904 168 Q HN 0.237 nan 8.270 nan 0.000 0.427 169 Y N -0.509 119.881 120.300 0.151 0.000 2.271 169 Y HA -0.243 4.302 4.550 -0.008 0.000 0.284 169 Y C 1.989 177.904 175.900 0.026 0.000 1.189 169 Y CA 1.490 59.688 58.100 0.163 0.000 1.229 169 Y CB -0.480 38.185 38.460 0.342 0.000 0.973 169 Y HN 0.260 nan 8.280 nan 0.000 0.537 170 F N -0.119 119.737 119.950 -0.155 0.000 2.270 170 F HA 0.014 4.533 4.527 -0.013 0.000 0.295 170 F C 2.500 178.067 175.800 -0.389 0.000 1.087 170 F CA 1.043 58.612 58.000 -0.719 0.000 1.365 170 F CB -0.312 37.876 39.000 -1.354 0.000 1.056 170 F HN -0.192 nan 8.300 nan 0.000 0.506 171 R N 0.173 120.556 120.500 -0.195 0.000 2.148 171 R HA -0.129 4.203 4.340 -0.014 0.000 0.227 171 R C 1.775 177.939 176.300 -0.227 0.000 1.103 171 R CA 1.332 57.317 56.100 -0.192 0.000 0.983 171 R CB -0.249 30.032 30.300 -0.033 0.000 0.874 171 R HN 0.229 nan 8.270 nan 0.000 0.451 172 N N 0.520 119.112 118.700 -0.180 0.000 2.270 172 N HA -0.113 4.619 4.740 -0.014 0.000 0.181 172 N C 1.664 177.044 175.510 -0.216 0.000 1.016 172 N CA 0.845 53.796 53.050 -0.165 0.000 0.870 172 N CB -0.020 38.383 38.487 -0.140 0.000 0.979 172 N HN 0.250 nan 8.380 nan 0.000 0.431 173 L N -0.003 121.029 121.223 -0.318 0.000 2.156 173 L HA -0.087 4.245 4.340 -0.014 0.000 0.208 173 L C 2.067 178.712 176.870 -0.376 0.000 1.095 173 L CA 0.556 55.200 54.840 -0.326 0.000 0.770 173 L CB -0.121 41.699 42.059 -0.398 0.000 0.914 173 L HN 0.185 nan 8.230 nan 0.000 0.439 174 C N -0.821 118.187 119.300 -0.487 0.000 2.440 174 C HA -0.084 4.367 4.460 -0.014 0.000 0.278 174 C C 2.385 177.242 174.990 -0.222 0.000 1.295 174 C CA 0.941 59.739 59.018 -0.366 0.000 1.738 174 C CB -0.870 26.657 27.740 -0.355 0.000 1.987 174 C HN 0.616 nan 8.230 nan 0.000 0.492 175 S N -0.104 115.480 115.700 -0.194 0.000 2.582 175 S HA 0.102 4.564 4.470 -0.014 0.000 0.249 175 S C -0.191 174.334 174.600 -0.126 0.000 1.072 175 S CA -0.261 57.855 58.200 -0.139 0.000 1.115 175 S CB -0.524 62.607 63.200 -0.115 0.000 0.790 175 S HN 0.623 nan 8.310 nan 0.000 0.459 176 D N 1.265 121.585 120.400 -0.133 0.000 2.360 176 D HA 0.061 4.693 4.640 -0.014 0.000 0.242 176 D C -0.230 176.009 176.300 -0.102 0.000 1.184 176 D CA 0.083 54.017 54.000 -0.110 0.000 0.930 176 D CB 0.957 41.695 40.800 -0.102 0.000 1.161 176 D HN 0.198 nan 8.370 nan 0.000 0.447 177 D N -0.184 120.160 120.400 -0.094 0.000 2.349 177 D HA 0.021 4.653 4.640 -0.014 0.000 0.224 177 D C -0.121 176.114 176.300 -0.109 0.000 1.029 177 D CA 0.516 54.459 54.000 -0.095 0.000 0.879 177 D CB 0.300 41.046 40.800 -0.089 0.000 0.906 177 D HN 0.283 nan 8.370 nan 0.000 0.528 178 T N -2.201 112.282 114.554 -0.119 0.000 2.824 178 T HA 0.524 4.865 4.350 -0.014 0.000 0.282 178 T C -2.739 171.864 174.700 -0.161 0.000 0.993 178 T CA -2.443 59.562 62.100 -0.158 0.000 0.967 178 T CB 2.391 71.140 68.868 -0.198 0.000 0.960 178 T HN -0.341 nan 8.240 nan 0.000 0.441 182 R N 0.677 121.113 120.500 -0.107 0.000 2.096 182 R HA -0.047 4.285 4.340 -0.014 0.000 0.235 182 R C 2.253 178.498 176.300 -0.091 0.000 1.127 182 R CA 1.664 57.694 56.100 -0.117 0.000 0.968 182 R CB -0.215 30.016 30.300 -0.115 0.000 0.861 182 R HN 0.478 nan 8.270 nan 0.000 0.440 183 R N 0.249 120.702 120.500 -0.077 0.000 2.096 183 R HA -0.099 4.233 4.340 -0.014 0.000 0.235 183 R C 2.255 178.542 176.300 -0.022 0.000 1.127 183 R CA 1.316 57.385 56.100 -0.051 0.000 0.968 183 R CB -0.299 29.968 30.300 -0.055 0.000 0.861 183 R HN 0.198 nan 8.270 nan 0.000 0.440 184 A N 1.432 124.243 122.820 -0.015 0.000 1.821 184 A HA -0.075 4.237 4.320 -0.014 0.000 0.215 184 A C 2.407 180.006 177.584 0.025 0.000 1.214 184 A CA 1.487 53.540 52.037 0.026 0.000 0.608 184 A CB -1.117 17.913 19.000 0.050 0.000 0.862 184 A HN 0.342 nan 8.150 nan 0.000 0.448 185 A N -0.207 122.586 122.820 -0.045 0.000 1.969 185 A HA -0.133 4.178 4.320 -0.014 0.000 0.223 185 A C 2.504 180.075 177.584 -0.022 0.000 1.218 185 A CA 3.232 55.182 52.037 -0.146 0.000 0.667 185 A CB -1.338 17.400 19.000 -0.437 0.000 0.826 185 A HN 1.377 nan 8.150 nan 0.000 0.472 186 A N 0.011 122.815 122.820 -0.026 0.000 1.865 186 A HA -0.155 4.157 4.320 -0.014 0.000 0.217 186 A C 2.552 180.188 177.584 0.086 0.000 1.191 186 A CA 2.922 54.975 52.037 0.028 0.000 0.623 186 A CB -1.232 17.771 19.000 0.005 0.000 0.826 186 A HN 1.206 nan 8.150 nan 0.000 0.444 187 S N -0.203 115.543 115.700 0.077 0.000 2.382 187 S HA -0.141 4.321 4.470 -0.014 0.000 0.228 187 S C 1.715 176.390 174.600 0.124 0.000 1.027 187 S CA 1.370 59.624 58.200 0.091 0.000 0.991 187 S CB -0.283 62.962 63.200 0.074 0.000 0.823 187 S HN 0.512 nan 8.310 nan 0.000 0.469 188 K N 1.022 121.520 120.400 0.164 0.000 2.366 188 K HA 0.199 4.511 4.320 -0.014 0.000 0.198 188 K C 1.980 178.720 176.600 0.232 0.000 1.044 188 K CA 0.431 56.837 56.287 0.198 0.000 0.973 188 K CB -0.678 31.971 32.500 0.249 0.000 0.767 188 K HN 0.414 nan 8.250 nan 0.000 0.475 189 L N 1.303 122.708 121.223 0.304 0.000 2.081 189 L HA -0.140 4.192 4.340 -0.014 0.000 0.212 189 L C 1.973 178.965 176.870 0.204 0.000 1.080 189 L CA 2.211 57.252 54.840 0.334 0.000 0.754 189 L CB -1.004 41.224 42.059 0.281 0.000 0.893 189 L HN 0.171 nan 8.230 nan 0.000 0.433 190 G N -0.219 108.664 108.800 0.138 0.000 2.484 190 G HA2 -0.352 3.600 3.960 -0.014 0.000 0.215 190 G HA3 -0.352 3.600 3.960 -0.014 0.000 0.215 190 G C 1.334 176.268 174.900 0.057 0.000 1.219 190 G CA 0.770 45.913 45.100 0.072 0.000 0.791 190 G HN 0.708 nan 8.290 nan 0.000 0.550 191 E N -0.755 119.491 120.200 0.076 0.000 2.331 191 E HA -0.122 4.220 4.350 -0.014 0.000 0.199 191 E C 1.960 178.599 176.600 0.065 0.000 1.008 191 E CA 0.805 57.243 56.400 0.064 0.000 0.843 191 E CB -0.344 29.406 29.700 0.084 0.000 0.761 191 E HN 0.429 nan 8.360 nan 0.000 0.507 192 F N 0.694 120.562 119.950 -0.138 0.000 2.569 192 F HA 0.361 4.878 4.527 -0.016 0.000 0.295 192 F C 2.067 177.727 175.800 -0.233 0.000 1.115 192 F CA 0.570 58.402 58.000 -0.280 0.000 1.450 192 F CB 0.070 38.697 39.000 -0.622 0.000 1.107 192 F HN 0.133 nan 8.300 nan 0.000 0.563 193 A N 0.480 123.233 122.820 -0.112 0.000 1.898 193 A HA -0.102 4.210 4.320 -0.014 0.000 0.214 193 A C 2.130 179.589 177.584 -0.208 0.000 1.183 193 A CA 1.046 52.969 52.037 -0.190 0.000 0.622 193 A CB -0.538 18.413 19.000 -0.081 0.000 0.824 193 A HN 0.338 nan 8.150 nan 0.000 0.444 194 K N -0.015 120.307 120.400 -0.130 0.000 2.442 194 K HA -0.118 4.194 4.320 -0.014 0.000 0.200 194 K C 1.275 177.803 176.600 -0.119 0.000 1.045 194 K CA 1.503 57.731 56.287 -0.098 0.000 0.937 194 K CB -0.343 32.127 32.500 -0.050 0.000 0.757 194 K HN 0.610 nan 8.250 nan 0.000 0.474 195 V N -2.879 116.908 119.914 -0.211 0.000 3.432 195 V HA 0.234 4.346 4.120 -0.014 0.000 0.298 195 V C 0.438 176.435 176.094 -0.161 0.000 1.464 195 V CA -0.388 61.817 62.300 -0.158 0.000 1.046 195 V CB -0.192 31.573 31.823 -0.097 0.000 0.887 195 V HN -0.019 nan 8.190 nan 0.000 0.441 196 L N 1.812 122.830 121.223 -0.342 0.000 2.439 196 L HA 0.478 4.809 4.340 -0.014 0.000 0.259 196 L C 0.870 177.698 176.870 -0.071 0.000 1.129 196 L CA -0.710 53.987 54.840 -0.239 0.000 0.803 196 L CB 0.599 42.408 42.059 -0.417 0.000 1.161 196 L HN 0.301 nan 8.230 nan 0.000 0.462 197 E N 0.939 121.145 120.200 0.009 0.000 2.435 197 E HA -0.055 4.287 4.350 -0.014 0.000 0.256 197 E C 0.761 177.346 176.600 -0.024 0.000 1.245 197 E CA -0.466 55.934 56.400 0.001 0.000 0.989 197 E CB 0.727 30.440 29.700 0.022 0.000 0.983 197 E HN 0.389 nan 8.360 nan 0.000 0.480 198 L N 0.761 121.972 121.223 -0.020 0.000 1.961 198 L HA -0.182 4.149 4.340 -0.014 0.000 0.210 198 L C 1.626 178.486 176.870 -0.017 0.000 1.072 198 L CA 2.074 56.899 54.840 -0.024 0.000 0.749 198 L CB -1.248 40.799 42.059 -0.020 0.000 0.889 198 L HN 0.437 nan 8.230 nan 0.000 0.432 199 D N 0.220 120.617 120.400 -0.005 0.000 2.248 199 D HA -0.286 4.346 4.640 -0.014 0.000 0.189 199 D C 1.873 178.177 176.300 0.007 0.000 1.011 199 D CA 1.952 55.954 54.000 0.004 0.000 0.868 199 D CB -0.410 40.397 40.800 0.010 0.000 0.931 199 D HN 0.540 nan 8.370 nan 0.000 0.449 200 N N -0.345 118.360 118.700 0.008 0.000 2.364 200 N HA -0.097 4.635 4.740 -0.014 0.000 0.183 200 N C 1.829 177.338 175.510 -0.002 0.000 1.022 200 N CA 0.199 53.257 53.050 0.013 0.000 0.883 200 N CB 0.276 38.775 38.487 0.020 0.000 0.965 200 N HN 0.034 nan 8.380 nan 0.000 0.438 201 V N 1.539 121.438 119.914 -0.025 0.000 2.358 201 V HA -0.208 3.904 4.120 -0.014 0.000 0.246 201 V C 2.097 178.190 176.094 -0.001 0.000 1.047 201 V CA 1.605 63.886 62.300 -0.032 0.000 1.035 201 V CB -0.277 31.514 31.823 -0.055 0.000 0.658 201 V HN 0.253 nan 8.190 nan 0.000 0.452 202 K N 0.474 120.876 120.400 0.002 0.000 2.155 202 K HA -0.089 4.223 4.320 -0.014 0.000 0.203 202 K C 2.249 178.869 176.600 0.033 0.000 1.052 202 K CA 1.637 57.934 56.287 0.016 0.000 0.948 202 K CB -0.149 32.357 32.500 0.010 0.000 0.728 202 K HN 0.631 nan 8.250 nan 0.000 0.448 203 S N -0.519 115.201 115.700 0.034 0.000 2.492 203 S HA 0.089 4.551 4.470 -0.014 0.000 0.218 203 S C 1.553 176.186 174.600 0.055 0.000 1.016 203 S CA 0.187 58.413 58.200 0.042 0.000 0.916 203 S CB 0.410 63.632 63.200 0.037 0.000 0.791 203 S HN 0.108 nan 8.310 nan 0.000 0.513 204 E N 0.284 120.522 120.200 0.063 0.000 2.406 204 E HA 0.393 4.734 4.350 -0.014 0.000 0.204 204 E C 1.661 178.328 176.600 0.112 0.000 0.820 204 E CA 0.037 56.488 56.400 0.086 0.000 1.136 204 E CB 0.042 29.801 29.700 0.099 0.000 1.129 204 E HN 0.223 nan 8.360 nan 0.000 0.530 205 I N 1.359 121.991 120.570 0.104 0.000 2.163 205 I HA -0.204 3.957 4.170 -0.014 0.000 0.240 205 I C 2.035 178.251 176.117 0.165 0.000 1.081 205 I CA 0.916 62.299 61.300 0.139 0.000 1.353 205 I CB -0.728 37.320 38.000 0.080 0.000 1.054 205 I HN 0.207 nan 8.210 nan 0.000 0.407 206 I N 0.763 121.413 120.570 0.134 0.000 2.147 206 I HA -0.215 3.947 4.170 -0.014 0.000 0.245 206 I C -0.878 175.380 176.117 0.236 0.000 1.059 206 I CA 1.509 62.934 61.300 0.209 0.000 1.320 206 I CB -2.520 35.562 38.000 0.136 0.000 1.021 206 I HN 0.127 nan 8.210 nan 0.000 0.415 210 S N 1.015 116.478 115.700 -0.395 0.000 2.402 210 S HA -0.073 4.389 4.470 -0.014 0.000 0.229 210 S C 1.354 175.776 174.600 -0.297 0.000 1.021 210 S CA 1.685 59.574 58.200 -0.517 0.000 0.974 210 S CB -0.965 62.093 63.200 -0.237 0.000 0.800 210 S HN 0.667 nan 8.310 nan 0.000 0.484 211 N N 1.201 119.798 118.700 -0.171 0.000 2.109 211 N HA 0.096 4.828 4.740 -0.014 0.000 0.188 211 N C 1.726 177.153 175.510 -0.137 0.000 1.034 211 N CA 1.422 54.395 53.050 -0.129 0.000 0.846 211 N CB -0.338 38.096 38.487 -0.088 0.000 1.010 211 N HN 0.325 nan 8.380 nan 0.000 0.425 212 L N 1.032 122.181 121.223 -0.123 0.000 2.261 212 L HA -0.124 4.208 4.340 -0.014 0.000 0.216 212 L C 2.385 179.179 176.870 -0.127 0.000 1.114 212 L CA 0.428 55.205 54.840 -0.104 0.000 0.777 212 L CB -0.501 41.521 42.059 -0.062 0.000 0.910 212 L HN 0.244 nan 8.230 nan 0.000 0.440 213 A N -0.353 122.340 122.820 -0.212 0.000 2.066 213 A HA -0.079 4.233 4.320 -0.014 0.000 0.218 213 A C 1.969 179.451 177.584 -0.170 0.000 1.157 213 A CA 1.418 53.308 52.037 -0.244 0.000 0.670 213 A CB -0.179 18.520 19.000 -0.502 0.000 0.804 213 A HN 0.468 nan 8.150 nan 0.000 0.453 214 S N -0.636 114.974 115.700 -0.151 0.000 2.741 214 S HA 0.270 4.732 4.470 -0.014 0.000 0.247 214 S C -0.282 174.263 174.600 -0.092 0.000 1.050 214 S CA -0.295 57.839 58.200 -0.110 0.000 1.025 214 S CB -0.409 62.728 63.200 -0.106 0.000 0.897 214 S HN 0.430 nan 8.310 nan 0.000 0.508 215 D N 1.928 122.272 120.400 -0.094 0.000 2.364 215 D HA 0.072 4.704 4.640 -0.014 0.000 0.236 215 D C 1.187 177.441 176.300 -0.078 0.000 1.221 215 D CA 0.185 54.133 54.000 -0.086 0.000 0.891 215 D CB 0.672 41.419 40.800 -0.089 0.000 1.190 215 D HN 0.277 nan 8.370 nan 0.000 0.449 216 E N 0.061 120.217 120.200 -0.074 0.000 2.077 216 E HA -0.184 4.157 4.350 -0.014 0.000 0.193 216 E C 0.320 176.876 176.600 -0.073 0.000 0.989 216 E CA 0.727 57.086 56.400 -0.068 0.000 0.800 216 E CB 0.090 29.750 29.700 -0.065 0.000 0.746 216 E HN 0.376 nan 8.360 nan 0.000 0.452 217 Q N 1.531 121.283 119.800 -0.081 0.000 2.323 217 Q HA -0.037 4.295 4.340 -0.014 0.000 0.257 217 Q C 0.209 176.153 176.000 -0.093 0.000 1.022 217 Q CA -0.103 55.648 55.803 -0.087 0.000 0.919 217 Q CB 0.960 29.643 28.738 -0.091 0.000 1.220 217 Q HN 0.165 nan 8.270 nan 0.000 0.427 218 D N 0.640 120.978 120.400 -0.103 0.000 2.263 218 D HA -0.179 4.453 4.640 -0.014 0.000 0.208 218 D C 0.726 176.953 176.300 -0.122 0.000 0.971 218 D CA 1.298 55.228 54.000 -0.117 0.000 0.867 218 D CB -0.067 40.643 40.800 -0.150 0.000 0.929 218 D HN 0.433 nan 8.370 nan 0.000 0.492 219 S N -0.950 114.679 115.700 -0.118 0.000 2.660 219 S HA 0.130 4.591 4.470 -0.014 0.000 0.223 219 S C 1.601 176.151 174.600 -0.083 0.000 0.963 219 S CA -0.090 58.044 58.200 -0.109 0.000 0.932 219 S CB 0.341 63.477 63.200 -0.107 0.000 0.775 219 S HN 0.179 nan 8.310 nan 0.000 0.531 220 V N 1.068 120.934 119.914 -0.079 0.000 2.840 220 V HA 0.176 4.288 4.120 -0.014 0.000 0.234 220 V C 2.541 178.604 176.094 -0.053 0.000 1.159 220 V CA 0.272 62.533 62.300 -0.065 0.000 1.194 220 V CB -0.321 31.457 31.823 -0.076 0.000 0.971 220 V HN 0.303 nan 8.190 nan 0.000 0.494 221 R N 0.702 121.163 120.500 -0.065 0.000 2.140 221 R HA -0.234 4.098 4.340 -0.014 0.000 0.250 221 R C 2.293 178.577 176.300 -0.028 0.000 1.150 221 R CA 2.284 58.349 56.100 -0.058 0.000 0.966 221 R CB -0.728 29.531 30.300 -0.069 0.000 0.869 221 R HN 0.643 nan 8.270 nan 0.000 0.445 222 L N -1.178 120.025 121.223 -0.033 0.000 2.141 222 L HA -0.067 4.264 4.340 -0.014 0.000 0.209 222 L C 1.913 178.803 176.870 0.033 0.000 1.094 222 L CA 1.374 56.213 54.840 -0.000 0.000 0.763 222 L CB -0.645 41.398 42.059 -0.027 0.000 0.908 222 L HN 0.086 nan 8.230 nan 0.000 0.437 223 L N 0.728 121.963 121.223 0.020 0.000 2.456 223 L HA -0.014 4.318 4.340 -0.014 0.000 0.224 223 L C 2.877 179.797 176.870 0.084 0.000 1.148 223 L CA 0.637 55.505 54.840 0.046 0.000 0.825 223 L CB -0.848 41.229 42.059 0.030 0.000 0.937 223 L HN 0.389 nan 8.230 nan 0.000 0.450 224 A N -0.264 122.605 122.820 0.082 0.000 2.072 224 A HA -0.001 4.311 4.320 -0.014 0.000 0.216 224 A C 2.294 180.030 177.584 0.254 0.000 1.156 224 A CA 0.684 52.814 52.037 0.155 0.000 0.701 224 A CB -0.278 18.739 19.000 0.029 0.000 0.816 224 A HN 0.178 nan 8.150 nan 0.000 0.458 225 V N -0.019 119.993 119.914 0.164 0.000 2.453 225 V HA -0.177 3.935 4.120 -0.014 0.000 0.247 225 V C 2.554 178.737 176.094 0.149 0.000 1.048 225 V CA 2.216 64.621 62.300 0.176 0.000 1.049 225 V CB -0.401 31.501 31.823 0.133 0.000 0.672 225 V HN 0.699 nan 8.190 nan 0.000 0.457 226 E N 1.413 121.686 120.200 0.121 0.000 2.051 226 E HA -0.181 4.161 4.350 -0.014 0.000 0.192 226 E C 2.017 178.661 176.600 0.073 0.000 0.991 226 E CA 1.790 58.245 56.400 0.091 0.000 0.799 226 E CB -0.475 29.275 29.700 0.083 0.000 0.748 226 E HN 0.500 nan 8.360 nan 0.000 0.449 227 A N -0.258 122.620 122.820 0.097 0.000 2.209 227 A HA -0.077 4.235 4.320 -0.014 0.000 0.212 227 A C 2.395 179.941 177.584 -0.064 0.000 1.158 227 A CA 1.003 53.071 52.037 0.051 0.000 0.742 227 A CB -1.079 17.987 19.000 0.110 0.000 0.790 227 A HN 0.535 nan 8.150 nan 0.000 0.472 228 C N -1.244 118.053 119.300 -0.006 0.000 2.450 228 C HA -0.002 4.450 4.460 -0.014 0.000 0.279 228 C C 2.528 177.432 174.990 -0.145 0.000 1.335 228 C CA 1.214 60.129 59.018 -0.172 0.000 1.749 228 C CB -1.313 26.503 27.740 0.128 0.000 1.963 228 C HN 0.419 nan 8.230 nan 0.000 0.501 229 V N 1.494 121.374 119.914 -0.056 0.000 2.295 229 V HA -0.224 3.888 4.120 -0.014 0.000 0.246 229 V C 2.242 178.292 176.094 -0.074 0.000 1.049 229 V CA 2.694 64.963 62.300 -0.052 0.000 1.024 229 V CB -1.044 30.768 31.823 -0.018 0.000 0.648 229 V HN 0.611 nan 8.190 nan 0.000 0.447 230 N N -0.134 118.523 118.700 -0.071 0.000 2.142 230 N HA -0.075 4.657 4.740 -0.014 0.000 0.186 230 N C 1.750 177.195 175.510 -0.110 0.000 1.023 230 N CA 1.331 54.338 53.050 -0.071 0.000 0.852 230 N CB -0.155 38.305 38.487 -0.045 0.000 0.998 230 N HN 0.421 nan 8.380 nan 0.000 0.424 231 I N 0.438 120.900 120.570 -0.180 0.000 2.493 231 I HA -0.131 4.030 4.170 -0.014 0.000 0.254 231 I C 2.135 178.145 176.117 -0.178 0.000 1.160 231 I CA 0.385 61.556 61.300 -0.216 0.000 1.445 231 I CB -0.332 37.433 38.000 -0.393 0.000 1.086 231 I HN 0.157 nan 8.210 nan 0.000 0.433 232 A N 0.576 123.297 122.820 -0.165 0.000 2.066 232 A HA -0.157 4.155 4.320 -0.014 0.000 0.218 232 A C 2.212 179.745 177.584 -0.084 0.000 1.157 232 A CA 1.061 53.029 52.037 -0.116 0.000 0.670 232 A CB -0.321 18.619 19.000 -0.100 0.000 0.804 232 A HN 0.504 nan 8.150 nan 0.000 0.453 233 Q N -0.386 119.366 119.800 -0.080 0.000 2.302 233 Q HA 0.143 4.474 4.340 -0.014 0.000 0.202 233 Q C 1.746 177.711 176.000 -0.058 0.000 0.936 233 Q CA 0.739 56.505 55.803 -0.061 0.000 0.886 233 Q CB -0.164 28.542 28.738 -0.053 0.000 0.986 233 Q HN 0.657 nan 8.270 nan 0.000 0.487 234 L N 0.334 121.516 121.223 -0.068 0.000 2.179 234 L HA 0.053 4.385 4.340 -0.014 0.000 0.208 234 L C 0.962 177.799 176.870 -0.055 0.000 1.096 234 L CA 0.395 55.198 54.840 -0.062 0.000 0.779 234 L CB -0.349 41.666 42.059 -0.073 0.000 0.922 234 L HN 0.144 nan 8.230 nan 0.000 0.443 235 L N 1.324 122.511 121.223 -0.059 0.000 2.399 235 L HA 0.298 4.630 4.340 -0.014 0.000 0.266 235 L C -1.995 174.853 176.870 -0.037 0.000 1.114 235 L CA -1.748 53.065 54.840 -0.046 0.000 0.804 235 L CB 0.556 42.586 42.059 -0.049 0.000 1.146 235 L HN -0.139 nan 8.230 nan 0.000 0.451 236 P HA 0.078 nan 4.420 nan 0.000 0.286 236 P C -0.084 177.203 177.300 -0.021 0.000 1.261 236 P CA -0.551 62.535 63.100 -0.024 0.000 0.821 236 P CB 1.577 33.266 31.700 -0.018 0.000 1.013 237 Q N 2.144 121.931 119.800 -0.021 0.000 1.992 237 Q HA -0.302 4.029 4.340 -0.014 0.000 0.216 237 Q C 1.511 177.505 176.000 -0.011 0.000 1.047 237 Q CA 2.641 58.434 55.803 -0.017 0.000 0.899 237 Q CB -0.705 28.023 28.738 -0.016 0.000 1.021 237 Q HN 0.516 nan 8.270 nan 0.000 0.421 238 E N 0.597 120.792 120.200 -0.008 0.000 2.164 238 E HA -0.243 4.099 4.350 -0.014 0.000 0.233 238 E C 1.567 178.167 176.600 -0.000 0.000 1.073 238 E CA 2.107 58.505 56.400 -0.003 0.000 0.941 238 E CB -0.422 29.277 29.700 -0.003 0.000 0.820 238 E HN 0.513 nan 8.360 nan 0.000 0.486 239 D N 0.136 120.535 120.400 -0.002 0.000 2.389 239 D HA -0.131 4.501 4.640 -0.014 0.000 0.221 239 D C 1.868 178.170 176.300 0.003 0.000 0.974 239 D CA 0.531 54.532 54.000 0.002 0.000 0.923 239 D CB -0.097 40.702 40.800 -0.001 0.000 0.892 239 D HN 0.207 nan 8.370 nan 0.000 0.518 240 L N 0.491 121.713 121.223 -0.002 0.000 2.056 240 L HA -0.169 4.162 4.340 -0.014 0.000 0.207 240 L C 2.154 179.033 176.870 0.016 0.000 1.078 240 L CA 1.030 55.870 54.840 -0.001 0.000 0.749 240 L CB -0.010 42.042 42.059 -0.010 0.000 0.901 240 L HN -0.114 nan 8.230 nan 0.000 0.433 241 E N -0.245 119.965 120.200 0.016 0.000 2.512 241 E HA -0.046 4.296 4.350 -0.014 0.000 0.195 241 E C 1.142 177.759 176.600 0.029 0.000 1.083 241 E CA 0.806 57.221 56.400 0.024 0.000 0.873 241 E CB 0.285 29.997 29.700 0.020 0.000 0.897 241 E HN 0.385 nan 8.360 nan 0.000 0.514 242 A N -0.711 122.127 122.820 0.030 0.000 2.026 242 A HA 0.258 4.570 4.320 -0.014 0.000 0.198 242 A C 1.658 179.271 177.584 0.047 0.000 1.390 242 A CA 0.152 52.209 52.037 0.033 0.000 0.915 242 A CB 0.137 19.152 19.000 0.024 0.000 0.974 242 A HN 0.259 nan 8.150 nan 0.000 0.477 243 L N -0.763 120.492 121.223 0.054 0.000 2.467 243 L HA 0.228 4.559 4.340 -0.014 0.000 0.213 243 L C 0.612 177.567 176.870 0.142 0.000 1.053 243 L CA 0.182 55.072 54.840 0.084 0.000 0.847 243 L CB -0.255 41.840 42.059 0.059 0.000 1.075 243 L HN 0.062 nan 8.230 nan 0.000 0.479 247 T N 1.212 115.809 114.554 0.073 0.000 2.746 247 T HA -0.110 4.232 4.350 -0.014 0.000 0.267 247 T C 1.635 176.386 174.700 0.086 0.000 1.039 247 T CA 1.533 63.655 62.100 0.036 0.000 1.142 247 T CB -0.380 68.489 68.868 0.003 0.000 0.866 247 T HN 0.027 nan 8.240 nan 0.000 0.444 248 L N 1.480 122.794 121.223 0.152 0.000 2.056 248 L HA 0.041 4.373 4.340 -0.014 0.000 0.207 248 L C 2.431 179.366 176.870 0.108 0.000 1.078 248 L CA 1.571 56.497 54.840 0.144 0.000 0.749 248 L CB -0.562 41.575 42.059 0.131 0.000 0.901 248 L HN 0.067 nan 8.230 nan 0.000 0.433 249 R N -0.782 119.773 120.500 0.091 0.000 2.073 249 R HA -0.216 4.115 4.340 -0.014 0.000 0.234 249 R C 2.230 178.569 176.300 0.065 0.000 1.134 249 R CA 1.438 57.587 56.100 0.082 0.000 0.952 249 R CB -0.677 29.663 30.300 0.067 0.000 0.850 249 R HN 0.401 nan 8.270 nan 0.000 0.433 250 Q N 1.317 121.145 119.800 0.047 0.000 2.096 250 Q HA -0.167 4.164 4.340 -0.014 0.000 0.208 250 Q C 1.860 177.877 176.000 0.028 0.000 0.993 250 Q CA 2.416 58.233 55.803 0.024 0.000 0.862 250 Q CB -0.394 28.342 28.738 -0.003 0.000 0.915 250 Q HN 0.373 nan 8.270 nan 0.000 0.416 251 A N -0.386 122.459 122.820 0.042 0.000 2.119 251 A HA 0.222 4.534 4.320 -0.014 0.000 0.217 251 A C 2.150 179.780 177.584 0.077 0.000 1.153 251 A CA 1.268 53.335 52.037 0.051 0.000 0.692 251 A CB -0.709 18.329 19.000 0.064 0.000 0.799 251 A HN 0.498 nan 8.150 nan 0.000 0.458 252 A N -0.331 122.544 122.820 0.091 0.000 2.014 252 A HA -0.061 4.251 4.320 -0.014 0.000 0.218 252 A C 1.878 179.505 177.584 0.072 0.000 1.163 252 A CA 1.403 53.502 52.037 0.103 0.000 0.652 252 A CB -0.226 18.850 19.000 0.128 0.000 0.808 252 A HN 0.583 nan 8.150 nan 0.000 0.449 253 E N -0.299 119.934 120.200 0.056 0.000 2.276 253 E HA -0.026 4.316 4.350 -0.014 0.000 0.193 253 E C -0.184 176.440 176.600 0.040 0.000 0.983 253 E CA -0.298 56.127 56.400 0.042 0.000 0.861 253 E CB 0.018 29.737 29.700 0.032 0.000 0.817 253 E HN 0.531 nan 8.360 nan 0.000 0.485 254 D N 1.792 122.213 120.400 0.036 0.000 3.184 254 D HA -0.177 4.455 4.640 -0.014 0.000 0.193 254 D C 0.993 177.312 176.300 0.033 0.000 1.050 254 D CA 0.534 54.548 54.000 0.024 0.000 0.735 254 D CB 0.758 41.568 40.800 0.017 0.000 1.142 254 D HN -0.065 nan 8.370 nan 0.000 0.515 255 K N 1.728 122.138 120.400 0.018 0.000 2.032 255 K HA -0.140 4.172 4.320 -0.014 0.000 0.209 255 K C 1.054 177.681 176.600 0.045 0.000 1.048 255 K CA 0.574 56.877 56.287 0.028 0.000 0.927 255 K CB -0.643 31.863 32.500 0.009 0.000 0.712 255 K HN 0.312 nan 8.250 nan 0.000 0.441 256 S N 2.722 118.421 115.700 -0.002 0.000 2.429 256 S HA 0.022 4.484 4.470 -0.014 0.000 0.292 256 S C 1.434 176.013 174.600 -0.035 0.000 1.183 256 S CA -0.683 57.477 58.200 -0.066 0.000 1.088 256 S CB -0.143 62.958 63.200 -0.165 0.000 1.018 256 S HN 0.415 nan 8.310 nan 0.000 0.511 257 W N 6.601 127.913 121.300 0.020 0.000 2.321 257 W HA -0.233 4.419 4.660 -0.013 0.000 0.285 257 W C 1.241 177.807 176.519 0.078 0.000 1.213 257 W CA 0.645 58.017 57.345 0.044 0.000 1.205 257 W CB -0.729 28.754 29.460 0.037 0.000 1.134 257 W HN 0.688 nan 8.180 nan 0.000 0.549 258 R N 1.078 121.166 120.500 -0.687 0.000 2.080 258 R HA -0.141 4.191 4.340 -0.014 0.000 0.236 258 R C 2.442 178.683 176.300 -0.099 0.000 1.137 258 R CA 2.070 57.775 56.100 -0.658 0.000 0.943 258 R CB -1.149 28.613 30.300 -0.896 0.000 0.846 258 R HN 0.179 nan 8.270 nan 0.000 0.431 259 V N 1.530 121.390 119.914 -0.090 0.000 2.287 259 V HA -0.284 3.827 4.120 -0.014 0.000 0.248 259 V C 2.549 178.714 176.094 0.119 0.000 1.053 259 V CA 1.780 64.090 62.300 0.015 0.000 1.027 259 V CB -0.572 31.247 31.823 -0.007 0.000 0.646 259 V HN 0.345 nan 8.190 nan 0.000 0.447 260 R N -1.240 119.348 120.500 0.146 0.000 2.096 260 R HA -0.188 4.144 4.340 -0.014 0.000 0.240 260 R C 1.482 177.919 176.300 0.229 0.000 1.139 260 R CA 1.546 57.752 56.100 0.177 0.000 0.952 260 R CB -0.613 29.797 30.300 0.183 0.000 0.854 260 R HN 0.587 nan 8.270 nan 0.000 0.436 264 A N 0.573 123.459 122.820 0.111 0.000 1.840 264 A HA -0.188 4.124 4.320 -0.014 0.000 0.214 264 A C 1.704 179.318 177.584 0.051 0.000 1.198 264 A CA 2.436 54.475 52.037 0.004 0.000 0.608 264 A CB -0.549 18.337 19.000 -0.190 0.000 0.839 264 A HN 0.531 nan 8.150 nan 0.000 0.443 265 D N -0.520 119.855 120.400 -0.042 0.000 2.144 265 D HA -0.083 4.549 4.640 -0.014 0.000 0.199 265 D C 1.022 177.383 176.300 0.102 0.000 0.984 265 D CA 0.981 54.992 54.000 0.018 0.000 0.834 265 D CB 0.092 40.925 40.800 0.055 0.000 0.955 265 D HN 0.161 nan 8.370 nan 0.000 0.465 266 K N -0.038 120.440 120.400 0.130 0.000 2.577 266 K HA 0.045 4.357 4.320 -0.014 0.000 0.210 266 K C 0.743 177.407 176.600 0.106 0.000 1.048 266 K CA -0.330 56.019 56.287 0.104 0.000 1.188 266 K CB -0.231 32.321 32.500 0.087 0.000 0.910 266 K HN 0.193 nan 8.250 nan 0.000 0.483 267 F N 2.626 122.581 119.950 0.009 0.000 2.051 267 F HA -0.245 4.274 4.527 -0.013 0.000 0.296 267 F C 2.387 178.193 175.800 0.011 0.000 1.122 267 F CA 2.244 60.237 58.000 -0.012 0.000 1.201 267 F CB -0.581 38.372 39.000 -0.079 0.000 0.978 267 F HN 0.192 nan 8.300 nan 0.000 0.472 268 T N -2.398 112.204 114.554 0.080 0.000 2.849 268 T HA -0.184 4.158 4.350 -0.014 0.000 0.270 268 T C 1.656 176.336 174.700 -0.032 0.000 1.066 268 T CA 1.609 63.732 62.100 0.039 0.000 1.130 268 T CB -0.440 68.474 68.868 0.078 0.000 0.864 268 T HN 0.219 nan 8.240 nan 0.000 0.481 269 E N 1.102 121.286 120.200 -0.028 0.000 2.051 269 E HA 0.184 4.525 4.350 -0.014 0.000 0.189 269 E C 2.154 178.707 176.600 -0.079 0.000 0.979 269 E CA 0.564 56.943 56.400 -0.036 0.000 0.803 269 E CB -0.476 29.220 29.700 -0.008 0.000 0.761 269 E HN 0.420 nan 8.360 nan 0.000 0.451 270 L N 0.821 121.971 121.223 -0.122 0.000 2.079 270 L HA -0.273 4.059 4.340 -0.014 0.000 0.210 270 L C 2.693 179.452 176.870 -0.185 0.000 1.081 270 L CA 1.418 56.163 54.840 -0.158 0.000 0.752 270 L CB -0.425 41.498 42.059 -0.226 0.000 0.896 270 L HN 0.270 nan 8.230 nan 0.000 0.433 271 Q N 0.498 120.157 119.800 -0.235 0.000 2.014 271 Q HA -0.288 4.044 4.340 -0.014 0.000 0.207 271 Q C 2.271 178.199 176.000 -0.119 0.000 0.993 271 Q CA 1.976 57.673 55.803 -0.175 0.000 0.850 271 Q CB 0.022 28.685 28.738 -0.126 0.000 0.916 271 Q HN 0.373 nan 8.270 nan 0.000 0.417 272 K N -0.302 120.040 120.400 -0.097 0.000 2.001 272 K HA -0.210 4.102 4.320 -0.014 0.000 0.214 272 K C 2.132 178.690 176.600 -0.070 0.000 1.050 272 K CA 1.305 57.547 56.287 -0.076 0.000 0.934 272 K CB -0.364 32.101 32.500 -0.058 0.000 0.718 272 K HN 0.324 nan 8.250 nan 0.000 0.443 273 A N 1.014 123.792 122.820 -0.069 0.000 1.859 273 A HA -0.195 4.116 4.320 -0.014 0.000 0.217 273 A C 2.362 179.907 177.584 -0.064 0.000 1.198 273 A CA 2.151 54.149 52.037 -0.064 0.000 0.629 273 A CB -1.012 17.948 19.000 -0.067 0.000 0.830 273 A HN 0.126 nan 8.150 nan 0.000 0.446 274 V N -1.066 118.805 119.914 -0.072 0.000 2.215 274 V HA 0.210 4.322 4.120 -0.014 0.000 0.246 274 V C 1.535 177.598 176.094 -0.051 0.000 1.047 274 V CA 1.676 63.940 62.300 -0.060 0.000 0.999 274 V CB -1.591 30.192 31.823 -0.065 0.000 0.635 274 V HN 1.120 nan 8.190 nan 0.000 0.450 275 G N -1.925 106.841 108.800 -0.056 0.000 2.322 275 G HA2 0.373 4.325 3.960 -0.014 0.000 0.295 275 G HA3 0.373 4.325 3.960 -0.014 0.000 0.295 275 G C -2.792 172.073 174.900 -0.058 0.000 1.369 275 G CA 0.334 45.405 45.100 -0.049 0.000 0.821 275 G HN 0.081 nan 8.290 nan 0.000 0.536 276 P HA 0.122 nan 4.420 nan 0.000 0.245 276 P C 0.834 178.103 177.300 -0.051 0.000 1.199 276 P CA 0.803 63.863 63.100 -0.066 0.000 0.807 276 P CB 1.071 32.735 31.700 -0.059 0.000 1.002 277 E N 0.314 120.495 120.200 -0.032 0.000 2.094 277 E HA -0.014 4.328 4.350 -0.014 0.000 0.193 277 E C 1.788 178.387 176.600 -0.002 0.000 0.950 277 E CA 0.287 56.678 56.400 -0.015 0.000 0.842 277 E CB -0.423 29.270 29.700 -0.011 0.000 0.816 277 E HN -0.135 nan 8.360 nan 0.000 0.465 278 I N 1.833 122.401 120.570 -0.004 0.000 2.623 278 I HA -0.230 3.932 4.170 -0.014 0.000 0.261 278 I C 2.135 178.265 176.117 0.021 0.000 1.204 278 I CA 1.224 62.529 61.300 0.008 0.000 1.444 278 I CB -0.690 37.309 38.000 -0.001 0.000 1.094 278 I HN 0.162 nan 8.210 nan 0.000 0.451 279 T N -0.098 114.464 114.554 0.012 0.000 2.809 279 T HA -0.156 4.185 4.350 -0.014 0.000 0.260 279 T C 1.959 176.720 174.700 0.102 0.000 1.039 279 T CA 1.209 63.336 62.100 0.045 0.000 1.141 279 T CB -0.089 68.771 68.868 -0.012 0.000 0.869 279 T HN 0.356 nan 8.240 nan 0.000 0.437 280 K N 0.461 120.896 120.400 0.058 0.000 2.148 280 K HA -0.093 4.219 4.320 -0.014 0.000 0.204 280 K C 2.088 178.737 176.600 0.082 0.000 1.050 280 K CA 1.263 57.594 56.287 0.074 0.000 0.942 280 K CB -0.081 32.438 32.500 0.033 0.000 0.724 280 K HN 0.231 nan 8.250 nan 0.000 0.446 281 T N 0.736 115.329 114.554 0.064 0.000 2.770 281 T HA -0.056 4.286 4.350 -0.014 0.000 0.263 281 T C 1.084 175.828 174.700 0.075 0.000 1.039 281 T CA 1.343 63.478 62.100 0.058 0.000 1.142 281 T CB -0.008 68.884 68.868 0.040 0.000 0.868 281 T HN 0.309 nan 8.240 nan 0.000 0.435 282 D N 0.055 120.507 120.400 0.087 0.000 2.766 282 D HA 0.241 4.873 4.640 -0.014 0.000 0.284 282 D C 2.218 178.614 176.300 0.160 0.000 1.050 282 D CA 0.128 54.189 54.000 0.103 0.000 0.945 282 D CB 0.202 41.050 40.800 0.081 0.000 1.272 282 D HN 0.200 nan 8.370 nan 0.000 0.482 283 L N 1.393 122.726 121.223 0.184 0.000 2.083 283 L HA -0.111 4.221 4.340 -0.014 0.000 0.209 283 L C 2.582 179.715 176.870 0.438 0.000 1.083 283 L CA 0.675 55.703 54.840 0.314 0.000 0.752 283 L CB -0.300 41.853 42.059 0.157 0.000 0.899 283 L HN -0.085 nan 8.230 nan 0.000 0.433 284 V N 0.140 120.284 119.914 0.383 0.000 2.295 284 V HA -0.160 3.951 4.120 -0.014 0.000 0.246 284 V C -0.145 176.101 176.094 0.254 0.000 1.049 284 V CA 1.994 64.530 62.300 0.393 0.000 1.024 284 V CB -1.404 30.627 31.823 0.346 0.000 0.648 284 V HN 0.333 nan 8.190 nan 0.000 0.447 285 P HA -0.099 nan 4.420 nan 0.000 0.215 285 P C 1.743 179.100 177.300 0.094 0.000 1.157 285 P CA 1.885 65.050 63.100 0.109 0.000 0.863 285 P CB -0.194 31.559 31.700 0.088 0.000 0.787 286 A N -0.976 121.933 122.820 0.147 0.000 1.986 286 A HA -0.243 4.069 4.320 -0.014 0.000 0.220 286 A C 2.096 179.703 177.584 0.038 0.000 1.171 286 A CA 1.567 53.686 52.037 0.137 0.000 0.640 286 A CB -1.899 17.250 19.000 0.249 0.000 0.811 286 A HN 0.140 nan 8.150 nan 0.000 0.451 287 F N 0.646 120.483 119.950 -0.188 0.000 2.186 287 F HA -0.126 4.393 4.527 -0.014 0.000 0.299 287 F C 2.356 177.919 175.800 -0.395 0.000 1.090 287 F CA 1.786 59.404 58.000 -0.637 0.000 1.307 287 F CB -0.629 37.932 39.000 -0.731 0.000 1.019 287 F HN 0.356 nan 8.300 nan 0.000 0.489 288 Q N 0.117 119.775 119.800 -0.237 0.000 2.002 288 Q HA -0.246 4.086 4.340 -0.014 0.000 0.204 288 Q C 1.929 177.768 176.000 -0.268 0.000 0.988 288 Q CA 1.829 57.459 55.803 -0.288 0.000 0.843 288 Q CB -0.482 28.186 28.738 -0.117 0.000 0.908 288 Q HN 0.354 nan 8.270 nan 0.000 0.420 289 N N 0.479 119.084 118.700 -0.159 0.000 2.133 289 N HA -0.156 4.576 4.740 -0.014 0.000 0.193 289 N C 0.616 176.029 175.510 -0.162 0.000 1.012 289 N CA 0.988 53.965 53.050 -0.121 0.000 0.871 289 N CB -0.425 38.027 38.487 -0.058 0.000 1.011 289 N HN 0.115 nan 8.380 nan 0.000 0.435 293 D N -0.255 120.076 120.400 -0.115 0.000 2.357 293 D HA 0.071 4.703 4.640 -0.014 0.000 0.242 293 D C 1.185 177.443 176.300 -0.071 0.000 1.153 293 D CA -0.234 53.719 54.000 -0.078 0.000 0.918 293 D CB 0.915 41.675 40.800 -0.066 0.000 1.181 293 D HN 0.267 nan 8.370 nan 0.000 0.435 294 C N 1.028 120.298 119.300 -0.050 0.000 2.472 294 C HA 0.124 4.576 4.460 -0.014 0.000 0.278 294 C C 0.817 175.750 174.990 -0.094 0.000 1.447 294 C CA -0.292 58.691 59.018 -0.058 0.000 1.773 294 C CB -1.002 26.719 27.740 -0.033 0.000 1.793 294 C HN 0.453 nan 8.230 nan 0.000 0.544 295 E N 0.547 120.682 120.200 -0.109 0.000 2.156 295 E HA 0.530 4.872 4.350 -0.014 0.000 0.279 295 E C 0.853 177.341 176.600 -0.187 0.000 0.965 295 E CA -0.059 56.217 56.400 -0.206 0.000 0.789 295 E CB 1.495 31.031 29.700 -0.272 0.000 1.098 295 E HN 0.239 nan 8.360 nan 0.000 0.397 296 A N 4.658 127.347 122.820 -0.218 0.000 1.859 296 A HA -0.282 4.030 4.320 -0.014 0.000 0.218 296 A C 1.757 179.262 177.584 -0.131 0.000 1.209 296 A CA 2.032 53.967 52.037 -0.170 0.000 0.639 296 A CB -0.468 18.413 19.000 -0.198 0.000 0.835 296 A HN 0.632 nan 8.150 nan 0.000 0.450 297 E N -0.543 119.568 120.200 -0.148 0.000 2.037 297 E HA -0.182 4.160 4.350 -0.014 0.000 0.214 297 E C 2.010 178.633 176.600 0.038 0.000 1.041 297 E CA 1.521 57.933 56.400 0.019 0.000 0.872 297 E CB -0.956 28.813 29.700 0.117 0.000 0.785 297 E HN 0.228 nan 8.360 nan 0.000 0.476 298 V N 1.028 120.981 119.914 0.064 0.000 2.357 298 V HA -0.381 3.731 4.120 -0.014 0.000 0.257 298 V C 2.328 178.363 176.094 -0.098 0.000 1.082 298 V CA 2.346 64.637 62.300 -0.015 0.000 1.078 298 V CB -0.468 31.388 31.823 0.055 0.000 0.663 298 V HN 0.251 nan 8.190 nan 0.000 0.455 299 R N -0.393 120.049 120.500 -0.098 0.000 2.070 299 R HA -0.096 4.235 4.340 -0.014 0.000 0.227 299 R C 2.526 178.757 176.300 -0.115 0.000 1.147 299 R CA 1.477 57.499 56.100 -0.130 0.000 0.924 299 R CB -0.922 29.305 30.300 -0.121 0.000 0.827 299 R HN 0.510 nan 8.270 nan 0.000 0.431 300 A N 1.596 124.370 122.820 -0.077 0.000 1.915 300 A HA -0.277 4.035 4.320 -0.014 0.000 0.220 300 A C 2.433 180.005 177.584 -0.020 0.000 1.198 300 A CA 2.333 54.336 52.037 -0.056 0.000 0.647 300 A CB -0.954 18.047 19.000 0.002 0.000 0.825 300 A HN 0.514 nan 8.150 nan 0.000 0.456 301 A N -0.382 122.430 122.820 -0.013 0.000 1.892 301 A HA 0.042 4.353 4.320 -0.014 0.000 0.218 301 A C 2.531 180.106 177.584 -0.014 0.000 1.188 301 A CA 2.678 54.692 52.037 -0.038 0.000 0.631 301 A CB -1.157 17.629 19.000 -0.356 0.000 0.822 301 A HN 1.321 nan 8.150 nan 0.000 0.447 302 A N -0.987 121.784 122.820 -0.082 0.000 2.015 302 A HA 0.020 4.332 4.320 -0.014 0.000 0.219 302 A C 2.376 179.983 177.584 0.040 0.000 1.163 302 A CA 1.817 53.831 52.037 -0.038 0.000 0.646 302 A CB -0.680 18.167 19.000 -0.255 0.000 0.806 302 A HN 0.459 nan 8.150 nan 0.000 0.448 303 S N -0.723 114.954 115.700 -0.039 0.000 2.348 303 S HA -0.196 4.266 4.470 -0.014 0.000 0.221 303 S C 1.720 176.358 174.600 0.063 0.000 1.033 303 S CA 1.640 59.820 58.200 -0.033 0.000 1.010 303 S CB -0.602 62.525 63.200 -0.122 0.000 0.891 303 S HN 0.804 nan 8.310 nan 0.000 0.442 304 H N 1.162 120.263 119.070 0.051 0.000 2.466 304 H HA -0.057 4.491 4.556 -0.013 0.000 0.297 304 H C 1.561 176.947 175.328 0.096 0.000 1.113 304 H CA 1.199 57.285 56.048 0.063 0.000 1.273 304 H CB 0.163 29.952 29.762 0.046 0.000 1.371 304 H HN 0.107 nan 8.280 nan 0.000 0.528 305 K N 0.256 120.811 120.400 0.260 0.000 2.444 305 K HA 0.039 4.351 4.320 -0.014 0.000 0.193 305 K C 1.847 178.600 176.600 0.254 0.000 1.024 305 K CA 0.140 56.563 56.287 0.228 0.000 1.077 305 K CB 0.316 32.937 32.500 0.201 0.000 0.833 305 K HN 0.194 nan 8.250 nan 0.000 0.517 306 V N 1.841 121.938 119.914 0.304 0.000 2.332 306 V HA -0.277 3.834 4.120 -0.014 0.000 0.248 306 V C 2.572 178.815 176.094 0.249 0.000 1.055 306 V CA 1.913 64.415 62.300 0.337 0.000 1.038 306 V CB -0.374 31.602 31.823 0.255 0.000 0.651 306 V HN 0.372 nan 8.190 nan 0.000 0.450 307 K N 0.022 120.528 120.400 0.177 0.000 2.031 307 K HA -0.214 4.098 4.320 -0.014 0.000 0.205 307 K C 2.254 178.918 176.600 0.108 0.000 1.049 307 K CA 1.825 58.190 56.287 0.130 0.000 0.939 307 K CB -0.145 32.414 32.500 0.099 0.000 0.717 307 K HN 0.538 nan 8.250 nan 0.000 0.438 308 E N -0.410 119.857 120.200 0.111 0.000 2.150 308 E HA -0.188 4.154 4.350 -0.014 0.000 0.193 308 E C 1.785 178.426 176.600 0.067 0.000 0.985 308 E CA 0.789 57.234 56.400 0.075 0.000 0.814 308 E CB -0.138 29.607 29.700 0.076 0.000 0.752 308 E HN 0.361 nan 8.360 nan 0.000 0.466 309 F N 0.471 120.395 119.950 -0.044 0.000 2.234 309 F HA -0.179 4.340 4.527 -0.014 0.000 0.299 309 F C 1.938 177.697 175.800 -0.069 0.000 1.087 309 F CA 1.158 59.089 58.000 -0.115 0.000 1.340 309 F CB -0.223 38.587 39.000 -0.316 0.000 1.031 309 F HN 0.158 nan 8.300 nan 0.000 0.500 310 C N 0.427 119.712 119.300 -0.025 0.000 2.500 310 C HA -0.071 4.381 4.460 -0.014 0.000 0.279 310 C C 2.408 177.332 174.990 -0.110 0.000 1.288 310 C CA 0.760 59.730 59.018 -0.081 0.000 1.710 310 C CB -1.143 26.640 27.740 0.071 0.000 2.052 310 C HN 0.440 nan 8.230 nan 0.000 0.488 311 E N 1.280 121.449 120.200 -0.052 0.000 2.455 311 E HA -0.167 4.174 4.350 -0.014 0.000 0.202 311 E C 0.734 177.278 176.600 -0.094 0.000 1.045 311 E CA 0.793 57.162 56.400 -0.051 0.000 0.872 311 E CB -0.233 29.455 29.700 -0.020 0.000 0.792 311 E HN 0.622 nan 8.360 nan 0.000 0.542 312 N N -0.398 118.202 118.700 -0.166 0.000 2.184 312 N HA 0.142 4.873 4.740 -0.014 0.000 0.206 312 N C -0.411 174.946 175.510 -0.256 0.000 1.151 312 N CA -0.041 52.895 53.050 -0.192 0.000 0.878 312 N CB 0.572 38.944 38.487 -0.193 0.000 1.014 312 N HN -0.011 nan 8.380 nan 0.000 0.512 313 L N 0.486 121.533 121.223 -0.294 0.000 2.439 313 L HA 0.168 4.499 4.340 -0.014 0.000 0.269 313 L C 0.934 177.714 176.870 -0.150 0.000 1.179 313 L CA -0.219 54.457 54.840 -0.273 0.000 0.828 313 L CB 0.666 42.570 42.059 -0.258 0.000 1.106 313 L HN 0.003 nan 8.230 nan 0.000 0.467 314 S N 1.674 117.303 115.700 -0.119 0.000 2.715 314 S HA -0.103 4.359 4.470 -0.014 0.000 0.318 314 S C 1.346 175.910 174.600 -0.059 0.000 1.242 314 S CA 0.184 58.339 58.200 -0.075 0.000 1.044 314 S CB 0.576 63.744 63.200 -0.054 0.000 0.760 314 S HN 0.731 nan 8.310 nan 0.000 0.501 315 A N 3.989 126.780 122.820 -0.048 0.000 1.986 315 A HA -0.130 4.182 4.320 -0.014 0.000 0.220 315 A C 0.804 178.373 177.584 -0.025 0.000 1.171 315 A CA 1.864 53.879 52.037 -0.035 0.000 0.640 315 A CB -0.606 18.376 19.000 -0.029 0.000 0.811 315 A HN 0.962 nan 8.150 nan 0.000 0.451 316 D N -2.565 117.821 120.400 -0.023 0.000 2.590 316 D HA 0.411 5.043 4.640 -0.014 0.000 0.280 316 D C 0.210 176.503 176.300 -0.012 0.000 1.197 316 D CA -0.053 53.939 54.000 -0.014 0.000 0.967 316 D CB -0.151 40.642 40.800 -0.011 0.000 0.987 316 D HN 0.576 nan 8.370 nan 0.000 0.508 317 C N -0.708 118.585 119.300 -0.011 0.000 5.979 317 C HA 0.091 4.543 4.460 -0.014 0.000 0.269 317 C C 2.009 176.996 174.990 -0.005 0.000 0.931 317 C CA 0.053 59.068 59.018 -0.005 0.000 2.268 317 C CB -0.711 27.026 27.740 -0.005 0.000 1.636 317 C HN 0.475 nan 8.230 nan 0.000 0.391 318 R N 1.918 122.407 120.500 -0.019 0.000 2.206 318 R HA -0.334 3.998 4.340 -0.014 0.000 0.240 318 R C 2.020 178.321 176.300 0.002 0.000 1.117 318 R CA 2.835 58.922 56.100 -0.022 0.000 0.915 318 R CB -0.795 29.486 30.300 -0.031 0.000 0.888 318 R HN 0.833 nan 8.270 nan 0.000 0.432 319 E N -0.312 119.892 120.200 0.006 0.000 2.086 319 E HA -0.284 4.058 4.350 -0.014 0.000 0.200 319 E C 1.818 178.428 176.600 0.017 0.000 1.012 319 E CA 1.905 58.315 56.400 0.016 0.000 0.812 319 E CB -0.232 29.479 29.700 0.017 0.000 0.743 319 E HN 0.413 nan 8.360 nan 0.000 0.453 320 N N -0.115 118.594 118.700 0.014 0.000 2.120 320 N HA -0.169 4.563 4.740 -0.014 0.000 0.188 320 N C 1.878 177.401 175.510 0.021 0.000 1.024 320 N CA 1.883 54.942 53.050 0.015 0.000 0.852 320 N CB -0.099 38.396 38.487 0.014 0.000 1.003 320 N HN 0.201 nan 8.380 nan 0.000 0.424 321 V N -0.790 119.142 119.914 0.030 0.000 2.649 321 V HA 0.203 4.315 4.120 -0.014 0.000 0.248 321 V C 1.302 177.436 176.094 0.067 0.000 1.054 321 V CA 0.350 62.682 62.300 0.052 0.000 1.073 321 V CB -0.397 31.468 31.823 0.069 0.000 0.699 321 V HN 0.169 nan 8.190 nan 0.000 0.463 325 Q N 0.639 120.455 119.800 0.026 0.000 2.462 325 Q HA 0.463 4.795 4.340 -0.014 0.000 0.224 325 Q C 1.485 177.517 176.000 0.053 0.000 0.911 325 Q CA 0.734 56.566 55.803 0.048 0.000 0.925 325 Q CB -0.035 28.758 28.738 0.092 0.000 1.063 325 Q HN 0.536 nan 8.270 nan 0.000 0.572 326 I N 0.536 121.153 120.570 0.080 0.000 2.628 326 I HA -0.095 4.067 4.170 -0.014 0.000 0.255 326 I C 2.041 178.169 176.117 0.018 0.000 1.119 326 I CA 0.383 61.735 61.300 0.088 0.000 1.448 326 I CB -0.301 37.822 38.000 0.205 0.000 1.133 326 I HN 0.054 nan 8.210 nan 0.000 0.438 327 L N 1.754 122.974 121.223 -0.006 0.000 2.187 327 L HA -0.084 4.247 4.340 -0.014 0.000 0.213 327 L C -0.705 176.122 176.870 -0.072 0.000 1.100 327 L CA 2.144 56.952 54.840 -0.053 0.000 0.765 327 L CB -1.365 40.624 42.059 -0.116 0.000 0.904 327 L HN 0.131 nan 8.230 nan 0.000 0.437 328 P HA -0.069 nan 4.420 nan 0.000 0.215 328 P C 1.871 179.130 177.300 -0.068 0.000 1.157 328 P CA 1.598 64.659 63.100 -0.066 0.000 0.859 328 P CB -0.123 31.544 31.700 -0.055 0.000 0.786 329 C N -1.135 118.117 119.300 -0.079 0.000 2.435 329 C HA -0.049 4.403 4.460 -0.014 0.000 0.279 329 C C 2.644 177.571 174.990 -0.105 0.000 1.321 329 C CA 0.383 59.336 59.018 -0.108 0.000 1.752 329 C CB -1.729 25.914 27.740 -0.163 0.000 1.959 329 C HN 0.193 nan 8.230 nan 0.000 0.500 330 I N 1.020 121.541 120.570 -0.082 0.000 2.202 330 I HA -0.198 3.964 4.170 -0.014 0.000 0.242 330 I C 2.506 178.588 176.117 -0.058 0.000 1.091 330 I CA 1.525 62.787 61.300 -0.064 0.000 1.368 330 I CB -0.513 37.467 38.000 -0.033 0.000 1.058 330 I HN 0.359 nan 8.210 nan 0.000 0.410 331 K N 0.350 120.717 120.400 -0.056 0.000 2.218 331 K HA -0.202 4.110 4.320 -0.014 0.000 0.205 331 K C 2.003 178.574 176.600 -0.048 0.000 1.046 331 K CA 1.088 57.346 56.287 -0.049 0.000 0.933 331 K CB -0.051 32.422 32.500 -0.044 0.000 0.728 331 K HN 0.267 nan 8.250 nan 0.000 0.454 332 E N 0.716 120.881 120.200 -0.058 0.000 2.112 332 E HA -0.067 4.275 4.350 -0.014 0.000 0.190 332 E C 2.016 178.579 176.600 -0.062 0.000 0.979 332 E CA 0.725 57.090 56.400 -0.059 0.000 0.814 332 E CB 0.063 29.722 29.700 -0.070 0.000 0.762 332 E HN 0.299 nan 8.360 nan 0.000 0.460 333 L N 0.355 121.535 121.223 -0.071 0.000 2.109 333 L HA -0.127 4.205 4.340 -0.014 0.000 0.207 333 L C 2.438 179.278 176.870 -0.050 0.000 1.086 333 L CA 0.427 55.224 54.840 -0.071 0.000 0.760 333 L CB -0.304 41.702 42.059 -0.088 0.000 0.910 333 L HN -0.030 nan 8.230 nan 0.000 0.437 334 V N -1.446 118.443 119.914 -0.041 0.000 2.453 334 V HA -0.261 3.851 4.120 -0.014 0.000 0.252 334 V C 1.455 177.535 176.094 -0.023 0.000 1.068 334 V CA 1.636 63.921 62.300 -0.026 0.000 1.070 334 V CB -0.487 31.322 31.823 -0.022 0.000 0.664 334 V HN 0.310 nan 8.190 nan 0.000 0.461 335 S N -0.278 115.405 115.700 -0.028 0.000 2.438 335 S HA 0.194 4.655 4.470 -0.014 0.000 0.227 335 S C 0.084 174.666 174.600 -0.030 0.000 1.265 335 S CA -0.422 57.763 58.200 -0.024 0.000 1.265 335 S CB -0.322 62.864 63.200 -0.023 0.000 0.987 335 S HN 0.587 nan 8.310 nan 0.000 0.502 336 D N 0.836 121.217 120.400 -0.032 0.000 2.340 336 D HA 0.504 5.136 4.640 -0.014 0.000 0.251 336 D C 0.922 177.205 176.300 -0.027 0.000 1.080 336 D CA -0.363 53.615 54.000 -0.037 0.000 0.971 336 D CB 1.746 42.519 40.800 -0.046 0.000 1.137 336 D HN 0.245 nan 8.370 nan 0.000 0.475 337 A N 2.273 125.076 122.820 -0.029 0.000 1.984 337 A HA -0.048 4.264 4.320 -0.014 0.000 0.214 337 A C 1.046 178.623 177.584 -0.013 0.000 1.173 337 A CA 0.352 52.375 52.037 -0.022 0.000 0.673 337 A CB -0.259 18.724 19.000 -0.028 0.000 0.830 337 A HN 0.564 nan 8.150 nan 0.000 0.453 338 N N 0.762 119.452 118.700 -0.018 0.000 2.415 338 N HA 0.175 4.906 4.740 -0.014 0.000 0.246 338 N C 0.791 176.335 175.510 0.057 0.000 1.078 338 N CA -0.003 53.049 53.050 0.002 0.000 0.942 338 N CB 0.363 38.825 38.487 -0.041 0.000 1.140 338 N HN 0.431 nan 8.380 nan 0.000 0.501 339 Q N 2.161 122.025 119.800 0.106 0.000 2.007 339 Q HA -0.344 3.988 4.340 -0.014 0.000 0.214 339 Q C 0.819 176.883 176.000 0.107 0.000 1.031 339 Q CA 2.478 58.340 55.803 0.099 0.000 0.886 339 Q CB -0.585 28.209 28.738 0.093 0.000 0.992 339 Q HN 0.753 nan 8.270 nan 0.000 0.415 340 H N -0.481 118.569 119.070 -0.034 0.000 2.407 340 H HA -0.155 4.393 4.556 -0.014 0.000 0.293 340 H C 2.032 177.323 175.328 -0.062 0.000 1.122 340 H CA 1.609 57.638 56.048 -0.032 0.000 1.232 340 H CB -0.692 29.064 29.762 -0.010 0.000 1.361 340 H HN 0.071 nan 8.280 nan 0.000 0.498 341 V N 0.636 120.588 119.914 0.064 0.000 2.283 341 V HA -0.207 3.905 4.120 -0.014 0.000 0.243 341 V C 2.239 178.301 176.094 -0.053 0.000 1.039 341 V CA 1.793 64.078 62.300 -0.025 0.000 1.016 341 V CB -0.354 31.444 31.823 -0.042 0.000 0.650 341 V HN 0.379 nan 8.190 nan 0.000 0.449 342 K N 0.205 120.587 120.400 -0.031 0.000 2.009 342 K HA -0.223 4.089 4.320 -0.014 0.000 0.210 342 K C 2.512 179.083 176.600 -0.049 0.000 1.049 342 K CA 1.875 58.141 56.287 -0.035 0.000 0.929 342 K CB -0.571 31.916 32.500 -0.020 0.000 0.714 342 K HN 0.394 nan 8.250 nan 0.000 0.440 343 S N 0.565 116.234 115.700 -0.052 0.000 2.368 343 S HA -0.261 4.201 4.470 -0.014 0.000 0.226 343 S C 2.054 176.594 174.600 -0.101 0.000 1.044 343 S CA 1.705 59.861 58.200 -0.074 0.000 1.062 343 S CB -0.280 62.860 63.200 -0.100 0.000 0.931 343 S HN 0.407 nan 8.310 nan 0.000 0.440 344 A N 1.463 124.188 122.820 -0.159 0.000 1.841 344 A HA 0.083 4.395 4.320 -0.014 0.000 0.214 344 A C 2.309 179.744 177.584 -0.248 0.000 1.195 344 A CA 1.511 53.343 52.037 -0.341 0.000 0.611 344 A CB -1.093 17.497 19.000 -0.683 0.000 0.835 344 A HN 0.705 nan 8.150 nan 0.000 0.443 345 L N -0.630 120.491 121.223 -0.170 0.000 2.263 345 L HA -0.129 4.203 4.340 -0.014 0.000 0.216 345 L C 2.342 179.194 176.870 -0.029 0.000 1.111 345 L CA 1.748 56.537 54.840 -0.084 0.000 0.773 345 L CB -0.201 41.822 42.059 -0.061 0.000 0.906 345 L HN 0.330 nan 8.230 nan 0.000 0.439 346 A N -0.647 122.153 122.820 -0.033 0.000 2.119 346 A HA -0.090 4.222 4.320 -0.014 0.000 0.216 346 A C 2.302 179.885 177.584 -0.002 0.000 1.152 346 A CA 1.054 53.094 52.037 0.004 0.000 0.708 346 A CB -0.598 18.399 19.000 -0.004 0.000 0.805 346 A HN 0.647 nan 8.150 nan 0.000 0.460 347 S N -0.836 114.852 115.700 -0.021 0.000 2.631 347 S HA 0.197 4.659 4.470 -0.014 0.000 0.217 347 S C 0.952 175.559 174.600 0.012 0.000 0.958 347 S CA 0.716 58.909 58.200 -0.011 0.000 0.920 347 S CB -0.073 63.129 63.200 0.002 0.000 0.776 347 S HN 1.197 nan 8.310 nan 0.000 0.517 348 V N -2.850 117.081 119.914 0.029 0.000 3.283 348 V HA 0.480 4.592 4.120 -0.014 0.000 0.265 348 V C 0.637 176.778 176.094 0.078 0.000 1.672 348 V CA -0.441 61.891 62.300 0.053 0.000 1.020 348 V CB -0.745 31.126 31.823 0.080 0.000 0.854 348 V HN 0.426 nan 8.190 nan 0.000 0.408 352 L N 1.139 122.435 121.223 0.121 0.000 2.558 352 L HA 0.179 4.510 4.340 -0.014 0.000 0.225 352 L C 2.611 179.553 176.870 0.119 0.000 1.128 352 L CA 0.460 55.368 54.840 0.114 0.000 0.868 352 L CB 0.199 42.331 42.059 0.121 0.000 1.006 352 L HN 0.180 nan 8.230 nan 0.000 0.454 353 S N 1.090 116.879 115.700 0.149 0.000 2.335 353 S HA -0.055 4.407 4.470 -0.014 0.000 0.216 353 S C -0.623 174.033 174.600 0.093 0.000 1.032 353 S CA 1.283 59.573 58.200 0.151 0.000 1.000 353 S CB -1.028 62.279 63.200 0.178 0.000 0.928 353 S HN 0.312 nan 8.310 nan 0.000 0.434 354 P HA -0.007 nan 4.420 nan 0.000 0.234 354 P C 0.846 178.170 177.300 0.040 0.000 1.162 354 P CA 0.914 64.041 63.100 0.045 0.000 0.759 354 P CB -0.278 31.439 31.700 0.030 0.000 0.813 355 I N -1.146 119.453 120.570 0.048 0.000 2.556 355 I HA -0.064 4.098 4.170 -0.014 0.000 0.251 355 I C 2.368 178.510 176.117 0.042 0.000 1.105 355 I CA 0.653 61.976 61.300 0.038 0.000 1.436 355 I CB -0.496 37.527 38.000 0.039 0.000 1.139 355 I HN -0.200 nan 8.210 nan 0.000 0.438 356 L N 0.943 122.200 121.223 0.057 0.000 2.395 356 L HA 0.220 4.552 4.340 -0.014 0.000 0.218 356 L C 1.112 178.017 176.870 0.058 0.000 1.130 356 L CA 0.358 55.235 54.840 0.061 0.000 0.826 356 L CB -1.114 40.993 42.059 0.079 0.000 0.941 356 L HN 0.456 nan 8.230 nan 0.000 0.451 357 G N 0.775 109.608 108.800 0.055 0.000 2.781 357 G HA2 -0.302 3.650 3.960 -0.014 0.000 0.683 357 G HA3 -0.302 3.650 3.960 -0.014 0.000 0.683 357 G C 0.398 175.328 174.900 0.050 0.000 1.390 357 G CA 0.144 45.272 45.100 0.047 0.000 0.850 357 G HN 0.194 nan 8.290 nan 0.000 0.557 358 K N -0.250 120.175 120.400 0.042 0.000 2.034 358 K HA -0.224 4.088 4.320 -0.014 0.000 0.214 358 K C 1.922 178.541 176.600 0.032 0.000 1.051 358 K CA 2.602 58.913 56.287 0.041 0.000 0.931 358 K CB -0.326 32.193 32.500 0.032 0.000 0.715 358 K HN 0.600 nan 8.250 nan 0.000 0.446 359 D N 0.596 121.010 120.400 0.022 0.000 2.119 359 D HA -0.190 4.442 4.640 -0.014 0.000 0.199 359 D C 1.762 178.059 176.300 -0.006 0.000 0.987 359 D CA 1.239 55.242 54.000 0.005 0.000 0.858 359 D CB -0.777 40.027 40.800 0.006 0.000 1.008 359 D HN 0.319 nan 8.370 nan 0.000 0.450 360 N N 0.431 119.145 118.700 0.022 0.000 2.184 360 N HA -0.130 4.602 4.740 -0.014 0.000 0.190 360 N C 1.804 177.346 175.510 0.053 0.000 1.011 360 N CA 1.165 54.251 53.050 0.061 0.000 0.867 360 N CB -0.513 38.068 38.487 0.156 0.000 0.993 360 N HN 0.235 nan 8.380 nan 0.000 0.433 361 T N 1.519 116.102 114.554 0.049 0.000 2.821 361 T HA 0.029 4.371 4.350 -0.014 0.000 0.267 361 T C 2.071 176.767 174.700 -0.006 0.000 1.046 361 T CA 0.627 62.757 62.100 0.050 0.000 1.139 361 T CB 0.029 68.964 68.868 0.111 0.000 0.871 361 T HN 0.264 nan 8.240 nan 0.000 0.454 362 I N 0.617 121.179 120.570 -0.013 0.000 2.480 362 I HA -0.010 4.152 4.170 -0.014 0.000 0.251 362 I C 2.673 178.728 176.117 -0.103 0.000 1.124 362 I CA 1.029 62.309 61.300 -0.034 0.000 1.444 362 I CB -0.392 37.602 38.000 -0.011 0.000 1.098 362 I HN 0.272 nan 8.210 nan 0.000 0.428 363 E N 0.596 120.685 120.200 -0.184 0.000 2.072 363 E HA -0.196 4.146 4.350 -0.014 0.000 0.190 363 E C 2.038 178.399 176.600 -0.397 0.000 0.982 363 E CA 1.215 57.410 56.400 -0.342 0.000 0.803 363 E CB 0.199 29.572 29.700 -0.545 0.000 0.755 363 E HN 0.558 nan 8.360 nan 0.000 0.453 364 H N -0.559 118.470 119.070 -0.068 0.000 2.348 364 H HA 0.105 4.653 4.556 -0.014 0.000 0.306 364 H C 2.342 177.562 175.328 -0.181 0.000 1.034 364 H CA 0.557 56.547 56.048 -0.096 0.000 1.395 364 H CB -0.201 29.520 29.762 -0.069 0.000 1.495 364 H HN 0.130 nan 8.280 nan 0.000 0.616 365 L N 0.702 121.857 121.223 -0.114 0.000 2.109 365 L HA -0.108 4.224 4.340 -0.014 0.000 0.207 365 L C 2.549 178.856 176.870 -0.938 0.000 1.086 365 L CA 0.288 54.855 54.840 -0.455 0.000 0.760 365 L CB -0.336 41.483 42.059 -0.399 0.000 0.910 365 L HN 0.062 nan 8.230 nan 0.000 0.437 366 L N 1.025 121.893 121.223 -0.593 0.000 1.978 366 L HA -0.158 4.174 4.340 -0.014 0.000 0.218 366 L C -0.336 176.373 176.870 -0.269 0.000 1.075 366 L CA 2.426 57.035 54.840 -0.383 0.000 0.767 366 L CB -1.728 40.305 42.059 -0.043 0.000 0.890 366 L HN 0.048 nan 8.230 nan 0.000 0.434 367 P HA -0.235 nan 4.420 nan 0.000 0.217 367 P C 2.126 179.375 177.300 -0.086 0.000 1.162 367 P CA 1.903 64.952 63.100 -0.085 0.000 0.901 367 P CB -0.139 31.517 31.700 -0.072 0.000 0.793 368 L N -2.553 118.564 121.223 -0.178 0.000 2.042 368 L HA -0.195 4.136 4.340 -0.014 0.000 0.210 368 L C 2.492 179.363 176.870 0.001 0.000 1.076 368 L CA 1.645 56.416 54.840 -0.116 0.000 0.749 368 L CB -1.219 40.740 42.059 -0.166 0.000 0.893 368 L HN -0.019 nan 8.230 nan 0.000 0.432 369 F N -0.420 119.538 119.950 0.014 0.000 2.154 369 F HA -0.295 4.224 4.527 -0.014 0.000 0.301 369 F C 2.381 178.188 175.800 0.013 0.000 1.087 369 F CA 0.401 58.407 58.000 0.010 0.000 1.274 369 F CB -0.144 38.864 39.000 0.013 0.000 1.009 369 F HN 0.087 nan 8.300 nan 0.000 0.485 370 L N -0.059 121.272 121.223 0.180 0.000 2.023 370 L HA -0.098 4.233 4.340 -0.014 0.000 0.205 370 L C 2.837 179.755 176.870 0.079 0.000 1.073 370 L CA 1.709 56.618 54.840 0.115 0.000 0.745 370 L CB -2.031 40.076 42.059 0.079 0.000 0.900 370 L HN 0.076 nan 8.230 nan 0.000 0.435 371 A N -0.392 122.459 122.820 0.053 0.000 1.940 371 A HA -0.309 4.003 4.320 -0.014 0.000 0.221 371 A C 2.253 179.862 177.584 0.042 0.000 1.190 371 A CA 2.192 54.250 52.037 0.035 0.000 0.647 371 A CB -0.552 18.458 19.000 0.016 0.000 0.821 371 A HN 0.566 nan 8.150 nan 0.000 0.457 372 Q N -1.471 118.366 119.800 0.062 0.000 2.049 372 Q HA -0.005 4.327 4.340 -0.014 0.000 0.198 372 Q C 1.983 178.014 176.000 0.050 0.000 0.971 372 Q CA 0.881 56.717 55.803 0.055 0.000 0.833 372 Q CB -0.246 28.540 28.738 0.080 0.000 0.896 372 Q HN 0.467 nan 8.270 nan 0.000 0.434 373 L N 1.176 122.442 121.223 0.071 0.000 2.189 373 L HA -0.196 4.136 4.340 -0.014 0.000 0.214 373 L C 1.192 178.092 176.870 0.050 0.000 1.097 373 L CA 1.898 56.774 54.840 0.061 0.000 0.764 373 L CB -0.289 41.820 42.059 0.084 0.000 0.900 373 L HN 0.145 nan 8.230 nan 0.000 0.436 374 K N -1.202 119.226 120.400 0.047 0.000 2.373 374 K HA 0.066 4.378 4.320 -0.014 0.000 0.202 374 K C 0.466 177.082 176.600 0.027 0.000 1.025 374 K CA -0.381 55.929 56.287 0.039 0.000 1.115 374 K CB 0.583 33.107 32.500 0.040 0.000 0.858 374 K HN 0.216 nan 8.250 nan 0.000 0.525 375 D N 1.192 121.605 120.400 0.021 0.000 2.362 375 D HA -0.053 4.579 4.640 -0.014 0.000 0.238 375 D C 0.528 176.833 176.300 0.008 0.000 1.212 375 D CA 0.538 54.545 54.000 0.011 0.000 0.902 375 D CB 1.083 41.886 40.800 0.005 0.000 1.180 375 D HN 0.025 nan 8.370 nan 0.000 0.445 376 E N 0.131 120.333 120.200 0.004 0.000 2.076 376 E HA -0.016 4.326 4.350 -0.014 0.000 0.190 376 E C 0.749 177.345 176.600 -0.006 0.000 0.979 376 E CA 0.257 56.659 56.400 0.003 0.000 0.807 376 E CB -0.187 29.515 29.700 0.004 0.000 0.761 376 E HN 0.302 nan 8.360 nan 0.000 0.454 377 C N 3.071 122.363 119.300 -0.013 0.000 2.677 377 C HA 0.090 4.542 4.460 -0.014 0.000 0.398 377 C C -1.250 173.716 174.990 -0.041 0.000 1.378 377 C CA -1.760 57.240 59.018 -0.029 0.000 1.543 377 C CB -0.127 27.592 27.740 -0.035 0.000 2.356 377 C HN 0.220 nan 8.230 nan 0.000 0.609 378 P HA -0.199 nan 4.420 nan 0.000 0.220 378 P C 1.347 178.600 177.300 -0.077 0.000 1.155 378 P CA 1.797 64.859 63.100 -0.064 0.000 0.880 378 P CB 0.107 31.759 31.700 -0.081 0.000 0.790 379 E N -0.544 119.603 120.200 -0.088 0.000 2.012 379 E HA -0.129 4.213 4.350 -0.014 0.000 0.197 379 E C 2.190 178.747 176.600 -0.071 0.000 1.007 379 E CA 1.078 57.422 56.400 -0.094 0.000 0.816 379 E CB -1.689 27.940 29.700 -0.119 0.000 0.762 379 E HN 0.082 nan 8.360 nan 0.000 0.451 380 V N 1.711 121.589 119.914 -0.060 0.000 2.363 380 V HA -0.313 3.799 4.120 -0.014 0.000 0.254 380 V C 2.442 178.518 176.094 -0.029 0.000 1.074 380 V CA 2.244 64.519 62.300 -0.040 0.000 1.069 380 V CB -0.599 31.208 31.823 -0.027 0.000 0.659 380 V HN 0.190 nan 8.190 nan 0.000 0.455 381 R N -0.908 119.574 120.500 -0.031 0.000 2.052 381 R HA -0.026 4.306 4.340 -0.014 0.000 0.226 381 R C 2.309 178.586 176.300 -0.039 0.000 1.145 381 R CA 1.351 57.438 56.100 -0.021 0.000 0.952 381 R CB -0.621 29.671 30.300 -0.013 0.000 0.847 381 R HN 0.368 nan 8.270 nan 0.000 0.431 382 L N 1.898 123.087 121.223 -0.057 0.000 2.010 382 L HA -0.277 4.055 4.340 -0.014 0.000 0.219 382 L C 1.489 178.315 176.870 -0.073 0.000 1.077 382 L CA 1.923 56.719 54.840 -0.074 0.000 0.773 382 L CB -0.575 41.426 42.059 -0.098 0.000 0.892 382 L HN 0.148 nan 8.230 nan 0.000 0.436 383 N N -0.911 117.750 118.700 -0.066 0.000 2.289 383 N HA -0.161 4.571 4.740 -0.014 0.000 0.184 383 N C 1.736 177.206 175.510 -0.067 0.000 1.016 383 N CA 1.217 54.231 53.050 -0.060 0.000 0.872 383 N CB -0.269 38.189 38.487 -0.049 0.000 0.973 383 N HN 0.348 nan 8.380 nan 0.000 0.433 384 I N 0.709 121.241 120.570 -0.062 0.000 2.494 384 I HA -0.009 4.153 4.170 -0.014 0.000 0.250 384 I C 1.583 177.620 176.117 -0.133 0.000 1.112 384 I CA 0.461 61.713 61.300 -0.081 0.000 1.438 384 I CB -0.386 37.598 38.000 -0.028 0.000 1.111 384 I HN -0.042 nan 8.210 nan 0.000 0.431 385 I N 1.155 121.663 120.570 -0.103 0.000 2.194 385 I HA -0.279 3.883 4.170 -0.014 0.000 0.246 385 I C 2.407 178.399 176.117 -0.208 0.000 1.093 385 I CA 1.773 62.998 61.300 -0.125 0.000 1.355 385 I CB -1.554 36.408 38.000 -0.064 0.000 1.046 385 I HN 0.312 nan 8.210 nan 0.000 0.413 386 S N 0.523 116.124 115.700 -0.164 0.000 2.727 386 S HA 0.012 4.474 4.470 -0.014 0.000 0.226 386 S C 0.917 175.394 174.600 -0.206 0.000 0.963 386 S CA 0.248 58.345 58.200 -0.172 0.000 0.950 386 S CB -0.503 62.631 63.200 -0.110 0.000 0.779 386 S HN 0.445 nan 8.310 nan 0.000 0.532 387 N N 0.665 119.209 118.700 -0.261 0.000 2.299 387 N HA 0.316 5.048 4.740 -0.014 0.000 0.246 387 N C 0.353 175.656 175.510 -0.346 0.000 1.254 387 N CA -0.009 52.887 53.050 -0.258 0.000 0.879 387 N CB 0.717 39.078 38.487 -0.211 0.000 1.214 387 N HN 0.396 nan 8.380 nan 0.000 0.510 388 L N 0.039 120.967 121.223 -0.491 0.000 2.567 388 L HA 0.096 4.428 4.340 -0.014 0.000 0.225 388 L C 0.675 177.294 176.870 -0.419 0.000 1.119 388 L CA 0.331 54.845 54.840 -0.543 0.000 0.871 388 L CB 0.011 41.600 42.059 -0.783 0.000 1.036 388 L HN -0.168 nan 8.230 nan 0.000 0.459 389 D N -0.658 119.529 120.400 -0.354 0.000 2.384 389 D HA -0.157 4.474 4.640 -0.014 0.000 0.222 389 D C 1.638 177.909 176.300 -0.048 0.000 0.976 389 D CA 0.655 54.595 54.000 -0.101 0.000 0.915 389 D CB -0.051 40.701 40.800 -0.081 0.000 0.896 389 D HN 0.366 nan 8.370 nan 0.000 0.523 390 C N -0.872 118.373 119.300 -0.091 0.000 3.043 390 C HA 0.051 4.503 4.460 -0.014 0.000 0.242 390 C C 2.508 177.476 174.990 -0.037 0.000 2.098 390 C CA 1.036 60.020 59.018 -0.056 0.000 1.560 390 C CB -0.354 27.343 27.740 -0.072 0.000 1.342 390 C HN 0.216 nan 8.230 nan 0.000 0.781 391 V N 3.443 123.315 119.914 -0.070 0.000 2.553 391 V HA -0.491 3.621 4.120 -0.014 0.000 0.200 391 V C 1.666 177.773 176.094 0.021 0.000 1.007 391 V CA 3.408 65.691 62.300 -0.028 0.000 1.075 391 V CB -2.658 29.142 31.823 -0.039 0.000 1.080 391 V HN 0.878 nan 8.190 nan 0.000 0.480 392 N N 1.557 120.274 118.700 0.029 0.000 2.586 392 N HA -0.191 4.540 4.740 -0.014 0.000 0.191 392 N C 1.344 176.868 175.510 0.023 0.000 1.085 392 N CA 1.943 55.012 53.050 0.033 0.000 0.921 392 N CB -0.667 37.840 38.487 0.034 0.000 0.954 392 N HN 0.842 nan 8.380 nan 0.000 0.448 393 E N -0.576 119.635 120.200 0.017 0.000 2.442 393 E HA 0.048 4.390 4.350 -0.014 0.000 0.195 393 E C 0.866 177.480 176.600 0.023 0.000 1.030 393 E CA 0.218 56.627 56.400 0.014 0.000 0.869 393 E CB 0.418 30.122 29.700 0.006 0.000 0.857 393 E HN 0.325 nan 8.360 nan 0.000 0.505 394 V N 1.515 121.449 119.914 0.033 0.000 3.050 394 V HA 0.091 4.202 4.120 -0.014 0.000 0.223 394 V C 1.177 177.302 176.094 0.051 0.000 1.162 394 V CA 0.006 62.334 62.300 0.046 0.000 1.247 394 V CB 0.001 31.863 31.823 0.066 0.000 1.125 394 V HN 0.201 nan 8.190 nan 0.000 0.508 395 I N 1.058 121.667 120.570 0.066 0.000 2.638 395 I HA 0.605 4.767 4.170 -0.014 0.000 0.286 395 I C 0.789 176.935 176.117 0.049 0.000 1.088 395 I CA -0.174 61.165 61.300 0.065 0.000 1.397 395 I CB 0.557 38.611 38.000 0.090 0.000 1.414 395 I HN 0.290 nan 8.210 nan 0.000 0.566 396 G N 3.966 112.791 108.800 0.042 0.000 2.647 396 G HA2 0.005 3.957 3.960 -0.014 0.000 0.234 396 G HA3 0.005 3.957 3.960 -0.014 0.000 0.234 396 G C 0.440 175.361 174.900 0.036 0.000 1.252 396 G CA -0.212 44.909 45.100 0.035 0.000 0.846 396 G HN 0.885 nan 8.290 nan 0.000 0.589 397 I N 0.414 121.001 120.570 0.028 0.000 2.916 397 I HA -0.063 4.099 4.170 -0.014 0.000 0.267 397 I C 2.578 178.711 176.117 0.027 0.000 1.263 397 I CA 0.886 62.197 61.300 0.019 0.000 1.471 397 I CB -0.149 37.856 38.000 0.009 0.000 1.089 397 I HN 0.652 nan 8.210 nan 0.000 0.468 398 R N -0.672 119.852 120.500 0.041 0.000 2.048 398 R HA 0.012 4.344 4.340 -0.014 0.000 0.221 398 R C 1.878 178.214 176.300 0.060 0.000 1.174 398 R CA 0.396 56.530 56.100 0.057 0.000 0.971 398 R CB -1.356 28.976 30.300 0.054 0.000 0.863 398 R HN 0.263 nan 8.270 nan 0.000 0.439 399 Q N 1.190 121.022 119.800 0.054 0.000 2.315 399 Q HA -0.190 4.142 4.340 -0.014 0.000 0.213 399 Q C 2.077 178.119 176.000 0.070 0.000 0.994 399 Q CA 1.514 57.352 55.803 0.058 0.000 0.906 399 Q CB -0.298 28.473 28.738 0.054 0.000 0.918 399 Q HN 0.333 nan 8.270 nan 0.000 0.427 400 L N 0.296 121.558 121.223 0.065 0.000 2.007 400 L HA -0.122 4.210 4.340 -0.014 0.000 0.205 400 L C 2.135 179.046 176.870 0.068 0.000 1.073 400 L CA 2.216 57.098 54.840 0.070 0.000 0.744 400 L CB -0.659 41.432 42.059 0.053 0.000 0.898 400 L HN 0.176 nan 8.230 nan 0.000 0.435 401 S N -1.642 114.088 115.700 0.050 0.000 2.595 401 S HA -0.156 4.305 4.470 -0.014 0.000 0.235 401 S C 1.717 176.403 174.600 0.144 0.000 0.974 401 S CA 1.029 59.274 58.200 0.076 0.000 0.942 401 S CB -0.340 62.895 63.200 0.059 0.000 0.766 401 S HN 0.704 nan 8.310 nan 0.000 0.536 402 Q N 1.230 121.096 119.800 0.109 0.000 2.481 402 Q HA 0.077 4.409 4.340 -0.014 0.000 0.219 402 Q C 1.496 177.547 176.000 0.085 0.000 0.920 402 Q CA 1.012 56.875 55.803 0.099 0.000 0.915 402 Q CB 0.236 29.022 28.738 0.079 0.000 1.057 402 Q HN 0.683 nan 8.270 nan 0.000 0.581 403 S N -0.885 114.864 115.700 0.081 0.000 2.568 403 S HA 0.174 4.636 4.470 -0.014 0.000 0.232 403 S C 0.887 175.543 174.600 0.093 0.000 0.975 403 S CA -0.285 57.961 58.200 0.077 0.000 0.949 403 S CB 0.933 64.172 63.200 0.066 0.000 0.829 403 S HN 0.293 nan 8.310 nan 0.000 0.479 404 L N 0.135 121.420 121.223 0.104 0.000 2.688 404 L HA 0.456 4.788 4.340 -0.014 0.000 0.216 404 L C 1.590 178.533 176.870 0.121 0.000 1.036 404 L CA 0.372 55.283 54.840 0.118 0.000 0.906 404 L CB -0.446 41.691 42.059 0.129 0.000 1.501 404 L HN 0.288 nan 8.230 nan 0.000 0.489 405 L N 1.593 122.884 121.223 0.114 0.000 2.051 405 L HA -0.154 4.178 4.340 -0.014 0.000 0.214 405 L C -0.645 176.297 176.870 0.121 0.000 1.076 405 L CA 2.503 57.410 54.840 0.112 0.000 0.758 405 L CB -1.897 40.224 42.059 0.103 0.000 0.890 405 L HN 0.152 nan 8.230 nan 0.000 0.433 406 P HA -0.166 nan 4.420 nan 0.000 0.213 406 P C 1.798 179.156 177.300 0.098 0.000 1.170 406 P CA 2.346 65.506 63.100 0.099 0.000 0.902 406 P CB -0.188 31.562 31.700 0.084 0.000 0.789 407 A N -0.615 122.264 122.820 0.098 0.000 1.873 407 A HA -0.238 4.074 4.320 -0.014 0.000 0.218 407 A C 2.264 179.919 177.584 0.118 0.000 1.193 407 A CA 1.927 54.023 52.037 0.099 0.000 0.629 407 A CB -1.842 17.216 19.000 0.097 0.000 0.826 407 A HN 0.116 nan 8.150 nan 0.000 0.447 408 I N -0.565 120.088 120.570 0.138 0.000 2.315 408 I HA -0.247 3.914 4.170 -0.014 0.000 0.251 408 I C 2.228 178.449 176.117 0.173 0.000 1.125 408 I CA 1.179 62.583 61.300 0.172 0.000 1.392 408 I CB -0.165 37.952 38.000 0.195 0.000 1.065 408 I HN 0.185 nan 8.210 nan 0.000 0.424 409 V N 0.117 120.115 119.914 0.139 0.000 2.719 409 V HA -0.221 3.891 4.120 -0.014 0.000 0.252 409 V C 2.302 178.468 176.094 0.121 0.000 1.065 409 V CA 1.688 64.062 62.300 0.123 0.000 1.086 409 V CB -0.227 31.651 31.823 0.092 0.000 0.700 409 V HN 0.418 nan 8.190 nan 0.000 0.467 410 E N -0.304 119.965 120.200 0.115 0.000 2.060 410 E HA -0.112 4.230 4.350 -0.014 0.000 0.189 410 E C 2.174 178.854 176.600 0.135 0.000 0.974 410 E CA 0.557 57.021 56.400 0.106 0.000 0.808 410 E CB 0.002 29.753 29.700 0.085 0.000 0.768 410 E HN 0.252 nan 8.360 nan 0.000 0.453 411 L N 1.022 122.329 121.223 0.140 0.000 2.137 411 L HA -0.194 4.138 4.340 -0.014 0.000 0.213 411 L C 2.379 179.374 176.870 0.208 0.000 1.085 411 L CA 1.841 56.769 54.840 0.146 0.000 0.760 411 L CB -1.636 40.504 42.059 0.135 0.000 0.893 411 L HN 0.233 nan 8.230 nan 0.000 0.434 412 A N -0.869 122.123 122.820 0.287 0.000 2.204 412 A HA -0.190 4.122 4.320 -0.014 0.000 0.220 412 A C 1.098 179.003 177.584 0.536 0.000 1.165 412 A CA 1.507 53.853 52.037 0.516 0.000 0.671 412 A CB -0.356 18.929 19.000 0.475 0.000 0.792 412 A HN 0.605 nan 8.150 nan 0.000 0.473 413 E N -0.281 120.103 120.200 0.307 0.000 3.554 413 E HA 0.126 4.468 4.350 -0.014 0.000 0.286 413 E C -1.476 175.228 176.600 0.173 0.000 1.173 413 E CA -0.090 56.467 56.400 0.262 0.000 1.117 413 E CB 0.267 30.108 29.700 0.234 0.000 1.323 413 E HN 0.778 nan 8.360 nan 0.000 0.394 414 D N -0.883 119.606 120.400 0.148 0.000 2.437 414 D HA 0.536 5.168 4.640 -0.014 0.000 0.259 414 D C 1.218 177.587 176.300 0.115 0.000 1.118 414 D CA -0.406 53.660 54.000 0.110 0.000 1.017 414 D CB 1.099 41.948 40.800 0.082 0.000 1.120 414 D HN 0.001 nan 8.370 nan 0.000 0.541 415 A N 0.327 123.204 122.820 0.095 0.000 1.829 415 A HA -0.098 4.213 4.320 -0.014 0.000 0.216 415 A C 0.832 178.485 177.584 0.114 0.000 1.207 415 A CA 1.004 53.103 52.037 0.103 0.000 0.622 415 A CB -0.862 18.185 19.000 0.078 0.000 0.846 415 A HN 0.520 nan 8.150 nan 0.000 0.447 416 K N 1.922 122.359 120.400 0.061 0.000 2.405 416 K HA -0.118 4.194 4.320 -0.014 0.000 0.273 416 K C 1.069 177.686 176.600 0.027 0.000 1.116 416 K CA 0.317 56.610 56.287 0.011 0.000 1.155 416 K CB -0.379 32.081 32.500 -0.067 0.000 0.858 416 K HN 0.862 nan 8.250 nan 0.000 0.477 417 W N 5.588 126.895 121.300 0.012 0.000 2.342 417 W HA -0.234 4.418 4.660 -0.014 0.000 0.297 417 W C 0.871 177.368 176.519 -0.036 0.000 1.213 417 W CA 0.556 57.897 57.345 -0.006 0.000 1.251 417 W CB -0.501 28.963 29.460 0.008 0.000 1.136 417 W HN 0.444 nan 8.180 nan 0.000 0.526 418 R N 0.862 120.873 120.500 -0.816 0.000 2.200 418 R HA -0.105 4.227 4.340 -0.014 0.000 0.234 418 R C 2.233 178.360 176.300 -0.288 0.000 1.127 418 R CA 1.611 57.222 56.100 -0.816 0.000 0.989 418 R CB -0.661 29.095 30.300 -0.908 0.000 0.869 418 R HN 0.198 nan 8.270 nan 0.000 0.459 419 V N 0.858 120.664 119.914 -0.180 0.000 2.379 419 V HA -0.140 3.972 4.120 -0.014 0.000 0.243 419 V C 2.370 178.438 176.094 -0.044 0.000 1.035 419 V CA 1.321 63.568 62.300 -0.088 0.000 1.035 419 V CB -0.396 31.396 31.823 -0.051 0.000 0.673 419 V HN 0.253 nan 8.190 nan 0.000 0.457 420 R N -0.341 120.153 120.500 -0.009 0.000 2.094 420 R HA -0.210 4.122 4.340 -0.014 0.000 0.239 420 R C 2.272 178.443 176.300 -0.215 0.000 1.137 420 R CA 1.831 57.891 56.100 -0.066 0.000 0.943 420 R CB -0.853 29.424 30.300 -0.038 0.000 0.850 420 R HN 0.354 nan 8.270 nan 0.000 0.433 421 L N 1.219 122.378 121.223 -0.106 0.000 1.991 421 L HA -0.260 4.072 4.340 -0.014 0.000 0.221 421 L C 2.307 179.097 176.870 -0.133 0.000 1.079 421 L CA 2.254 57.030 54.840 -0.107 0.000 0.778 421 L CB -1.117 40.994 42.059 0.086 0.000 0.893 421 L HN 0.235 nan 8.230 nan 0.000 0.437 422 A N -0.434 122.332 122.820 -0.089 0.000 1.985 422 A HA -0.273 4.038 4.320 -0.014 0.000 0.223 422 A C 2.181 179.752 177.584 -0.021 0.000 1.189 422 A CA 2.463 54.464 52.037 -0.061 0.000 0.658 422 A CB -0.856 18.108 19.000 -0.060 0.000 0.820 422 A HN 0.563 nan 8.150 nan 0.000 0.464 423 I N -0.559 119.987 120.570 -0.039 0.000 2.235 423 I HA -0.121 4.041 4.170 -0.014 0.000 0.241 423 I C 2.439 178.540 176.117 -0.026 0.000 1.085 423 I CA 0.916 62.253 61.300 0.061 0.000 1.378 423 I CB -1.334 36.740 38.000 0.124 0.000 1.076 423 I HN 0.297 nan 8.210 nan 0.000 0.415 424 I N 1.068 121.379 120.570 -0.432 0.000 2.300 424 I HA -0.313 3.849 4.170 -0.014 0.000 0.252 424 I C 2.385 178.445 176.117 -0.095 0.000 1.119 424 I CA 1.463 62.448 61.300 -0.525 0.000 1.384 424 I CB -0.366 37.194 38.000 -0.733 0.000 1.062 424 I HN 0.350 nan 8.210 nan 0.000 0.426 425 E N -0.341 119.827 120.200 -0.054 0.000 2.158 425 E HA -0.132 4.209 4.350 -0.014 0.000 0.191 425 E C 0.728 177.390 176.600 0.104 0.000 0.982 425 E CA 0.395 56.804 56.400 0.015 0.000 0.823 425 E CB -0.013 29.684 29.700 -0.005 0.000 0.766 425 E HN 0.393 nan 8.360 nan 0.000 0.468 429 L N 0.356 121.513 121.223 -0.109 0.000 2.007 429 L HA 0.023 4.355 4.340 -0.014 0.000 0.205 429 L C 2.569 179.350 176.870 -0.148 0.000 1.073 429 L CA 1.040 55.835 54.840 -0.075 0.000 0.744 429 L CB -0.736 41.380 42.059 0.095 0.000 0.898 429 L HN -0.022 nan 8.230 nan 0.000 0.435 430 L N -0.075 120.969 121.223 -0.298 0.000 2.043 430 L HA -0.284 4.047 4.340 -0.014 0.000 0.212 430 L C 2.791 179.528 176.870 -0.221 0.000 1.075 430 L CA 1.349 55.976 54.840 -0.356 0.000 0.752 430 L CB -0.434 41.267 42.059 -0.596 0.000 0.891 430 L HN 0.314 nan 8.230 nan 0.000 0.432 431 A N 0.094 122.798 122.820 -0.194 0.000 1.836 431 A HA -0.230 4.081 4.320 -0.014 0.000 0.215 431 A C 2.292 179.823 177.584 -0.089 0.000 1.214 431 A CA 1.933 53.879 52.037 -0.152 0.000 0.636 431 A CB -1.651 17.105 19.000 -0.407 0.000 0.847 431 A HN 0.458 nan 8.150 nan 0.000 0.451 432 G N -1.230 107.430 108.800 -0.234 0.000 2.532 432 G HA2 -0.249 3.702 3.960 -0.014 0.000 0.222 432 G HA3 -0.249 3.702 3.960 -0.014 0.000 0.222 432 G C 1.545 176.394 174.900 -0.084 0.000 1.102 432 G CA 1.302 46.287 45.100 -0.192 0.000 0.742 432 G HN 0.731 nan 8.290 nan 0.000 0.577 433 Q N -0.579 119.166 119.800 -0.093 0.000 2.061 433 Q HA 0.224 4.556 4.340 -0.014 0.000 0.195 433 Q C 2.634 178.589 176.000 -0.076 0.000 0.967 433 Q CA 0.432 56.192 55.803 -0.070 0.000 0.829 433 Q CB -0.215 28.482 28.738 -0.067 0.000 0.900 433 Q HN 0.388 nan 8.270 nan 0.000 0.450 434 L N 0.060 121.197 121.223 -0.143 0.000 2.201 434 L HA -0.022 4.310 4.340 -0.014 0.000 0.212 434 L C 0.739 177.567 176.870 -0.069 0.000 1.105 434 L CA 0.771 55.473 54.840 -0.230 0.000 0.775 434 L CB -0.414 41.285 42.059 -0.599 0.000 0.913 434 L HN 0.405 nan 8.230 nan 0.000 0.440 435 G N -1.378 107.433 108.800 0.019 0.000 2.770 435 G HA2 -0.178 3.773 3.960 -0.014 0.000 0.686 435 G HA3 -0.178 3.773 3.960 -0.014 0.000 0.686 435 G C 0.087 175.019 174.900 0.054 0.000 1.180 435 G CA -0.332 44.815 45.100 0.079 0.000 0.767 435 G HN -0.158 nan 8.290 nan 0.000 0.646 436 V N 1.428 121.242 119.914 -0.166 0.000 2.332 436 V HA -0.156 3.956 4.120 -0.014 0.000 0.248 436 V C 2.782 178.755 176.094 -0.203 0.000 1.055 436 V CA 3.178 65.062 62.300 -0.693 0.000 1.038 436 V CB -0.271 30.896 31.823 -1.092 0.000 0.651 436 V HN 1.067 nan 8.190 nan 0.000 0.450 437 E N 0.031 120.195 120.200 -0.060 0.000 2.077 437 E HA -0.288 4.054 4.350 -0.014 0.000 0.193 437 E C 2.129 178.787 176.600 0.097 0.000 0.989 437 E CA 2.089 58.499 56.400 0.016 0.000 0.800 437 E CB -1.270 28.439 29.700 0.016 0.000 0.746 437 E HN 0.623 nan 8.360 nan 0.000 0.452 438 F N 1.129 121.074 119.950 -0.007 0.000 2.186 438 F HA -0.022 4.496 4.527 -0.014 0.000 0.299 438 F C 2.077 177.894 175.800 0.028 0.000 1.090 438 F CA 0.602 58.609 58.000 0.011 0.000 1.307 438 F CB -0.557 38.463 39.000 0.033 0.000 1.019 438 F HN 0.018 nan 8.300 nan 0.000 0.489 439 F N 1.449 121.563 119.950 0.274 0.000 2.039 439 F HA -0.167 4.351 4.527 -0.014 0.000 0.294 439 F C 2.410 178.280 175.800 0.115 0.000 1.130 439 F CA 2.183 60.284 58.000 0.168 0.000 1.189 439 F CB -1.004 37.996 39.000 0.001 0.000 0.983 439 F HN -0.136 nan 8.300 nan 0.000 0.471 440 D N 0.293 120.746 120.400 0.087 0.000 2.220 440 D HA -0.255 4.377 4.640 -0.014 0.000 0.198 440 D C 2.065 178.308 176.300 -0.094 0.000 1.001 440 D CA 1.697 55.710 54.000 0.022 0.000 0.875 440 D CB -0.288 40.581 40.800 0.115 0.000 0.921 440 D HN 0.598 nan 8.370 nan 0.000 0.454 441 E N -0.162 119.985 120.200 -0.087 0.000 2.021 441 E HA -0.058 4.284 4.350 -0.014 0.000 0.191 441 E C 0.797 177.297 176.600 -0.167 0.000 0.971 441 E CA 0.519 56.839 56.400 -0.132 0.000 0.825 441 E CB 0.361 29.963 29.700 -0.163 0.000 0.788 441 E HN -0.123 nan 8.360 nan 0.000 0.460 442 K N 0.139 120.432 120.400 -0.178 0.000 2.498 442 K HA 0.173 4.484 4.320 -0.014 0.000 0.207 442 K C 0.479 177.040 176.600 -0.066 0.000 1.033 442 K CA 0.041 56.243 56.287 -0.143 0.000 1.138 442 K CB 1.138 33.512 32.500 -0.210 0.000 0.860 442 K HN 0.158 nan 8.250 nan 0.000 0.490 443 L N -0.511 120.609 121.223 -0.172 0.000 3.227 443 L HA 0.161 4.493 4.340 -0.014 0.000 0.287 443 L C 1.529 178.048 176.870 -0.585 0.000 1.161 443 L CA 0.400 55.090 54.840 -0.249 0.000 1.048 443 L CB 0.285 42.321 42.059 -0.040 0.000 1.541 443 L HN 0.006 nan 8.230 nan 0.000 0.590 444 N N -0.356 117.868 118.700 -0.793 0.000 2.142 444 N HA -0.201 4.531 4.740 -0.014 0.000 0.186 444 N C 1.941 177.255 175.510 -0.327 0.000 1.023 444 N CA 1.711 54.362 53.050 -0.665 0.000 0.852 444 N CB 0.060 38.270 38.487 -0.462 0.000 0.998 444 N HN 0.360 nan 8.380 nan 0.000 0.424 445 S N -0.049 115.484 115.700 -0.279 0.000 2.392 445 S HA -0.180 4.281 4.470 -0.014 0.000 0.232 445 S C 1.848 176.277 174.600 -0.285 0.000 1.041 445 S CA 1.077 59.144 58.200 -0.222 0.000 1.026 445 S CB -0.689 62.403 63.200 -0.181 0.000 0.845 445 S HN 0.219 nan 8.310 nan 0.000 0.465 446 L N 1.678 122.668 121.223 -0.387 0.000 2.005 446 L HA 0.097 4.429 4.340 -0.014 0.000 0.207 446 L C 2.204 178.554 176.870 -0.867 0.000 1.072 446 L CA 0.386 54.820 54.840 -0.677 0.000 0.744 446 L CB -1.517 40.086 42.059 -0.761 0.000 0.895 446 L HN 0.432 nan 8.230 nan 0.000 0.433 450 W N 0.567 121.874 121.300 0.012 0.000 2.364 450 W HA -0.035 4.617 4.660 -0.013 0.000 0.281 450 W C 1.659 178.160 176.519 -0.030 0.000 1.219 450 W CA 1.168 58.513 57.345 0.001 0.000 1.220 450 W CB -0.792 28.682 29.460 0.023 0.000 1.127 450 W HN 0.350 nan 8.180 nan 0.000 0.556 451 L N -0.236 121.104 121.223 0.195 0.000 2.349 451 L HA -0.109 4.223 4.340 -0.014 0.000 0.220 451 L C 0.849 177.739 176.870 0.032 0.000 1.130 451 L CA 1.358 56.254 54.840 0.092 0.000 0.791 451 L CB -0.772 41.332 42.059 0.074 0.000 0.918 451 L HN -0.305 nan 8.230 nan 0.000 0.444 452 V N 0.080 120.024 119.914 0.050 0.000 2.468 452 V HA 0.225 4.337 4.120 -0.014 0.000 0.256 452 V C -0.166 175.925 176.094 -0.006 0.000 0.998 452 V CA -0.767 61.559 62.300 0.044 0.000 1.114 452 V CB 0.874 32.791 31.823 0.157 0.000 1.378 452 V HN 0.150 nan 8.190 nan 0.000 0.573 453 D N -0.300 120.068 120.400 -0.054 0.000 2.268 453 D HA 0.275 4.907 4.640 -0.014 0.000 0.249 453 D C 0.765 176.999 176.300 -0.110 0.000 1.008 453 D CA -0.434 53.535 54.000 -0.051 0.000 0.939 453 D CB 1.894 42.714 40.800 0.034 0.000 1.170 453 D HN 0.480 nan 8.370 nan 0.000 0.468 454 H N -0.029 119.071 119.070 0.049 0.000 2.357 454 H HA -0.016 4.532 4.556 -0.014 0.000 0.301 454 H C 0.833 176.144 175.328 -0.029 0.000 1.082 454 H CA 0.681 56.752 56.048 0.038 0.000 1.342 454 H CB 0.294 30.093 29.762 0.063 0.000 1.389 454 H HN -0.014 nan 8.280 nan 0.000 0.511 455 V N 1.842 121.788 119.914 0.052 0.000 2.427 455 V HA -0.083 4.029 4.120 -0.014 0.000 0.268 455 V C 0.882 176.879 176.094 -0.162 0.000 1.046 455 V CA -0.137 62.094 62.300 -0.115 0.000 0.970 455 V CB -0.006 31.651 31.823 -0.276 0.000 1.001 455 V HN 0.386 nan 8.190 nan 0.000 0.476 456 Y N 6.917 127.058 120.300 -0.264 0.000 2.069 456 Y HA -0.311 4.231 4.550 -0.014 0.000 0.278 456 Y C 2.173 177.891 175.900 -0.302 0.000 1.175 456 Y CA 2.848 60.797 58.100 -0.252 0.000 1.134 456 Y CB -0.524 37.806 38.460 -0.217 0.000 0.965 456 Y HN 0.745 nan 8.280 nan 0.000 0.498 457 A N 0.872 123.609 122.820 -0.139 0.000 1.929 457 A HA -0.302 4.010 4.320 -0.014 0.000 0.221 457 A C 2.241 179.645 177.584 -0.299 0.000 1.211 457 A CA 2.474 54.329 52.037 -0.303 0.000 0.657 457 A CB -1.228 17.229 19.000 -0.904 0.000 0.827 457 A HN 0.576 nan 8.150 nan 0.000 0.462 458 I N -0.432 119.953 120.570 -0.309 0.000 2.208 458 I HA -0.230 3.932 4.170 -0.014 0.000 0.245 458 I C 2.624 178.632 176.117 -0.182 0.000 1.097 458 I CA 1.699 62.887 61.300 -0.185 0.000 1.363 458 I CB -1.221 36.711 38.000 -0.113 0.000 1.051 458 I HN 0.420 nan 8.210 nan 0.000 0.413 459 R N 0.324 120.672 120.500 -0.252 0.000 2.075 459 R HA -0.187 4.144 4.340 -0.014 0.000 0.232 459 R C 2.113 178.237 176.300 -0.294 0.000 1.126 459 R CA 1.256 57.212 56.100 -0.240 0.000 0.963 459 R CB -0.405 29.701 30.300 -0.323 0.000 0.858 459 R HN 0.443 nan 8.270 nan 0.000 0.435 460 E N 1.136 121.043 120.200 -0.488 0.000 2.049 460 E HA -0.254 4.088 4.350 -0.014 0.000 0.198 460 E C 1.995 178.471 176.600 -0.207 0.000 1.007 460 E CA 1.596 57.738 56.400 -0.431 0.000 0.809 460 E CB -0.082 29.370 29.700 -0.413 0.000 0.749 460 E HN 0.361 nan 8.360 nan 0.000 0.450 461 A N 1.056 123.782 122.820 -0.157 0.000 1.883 461 A HA -0.138 4.174 4.320 -0.014 0.000 0.217 461 A C 2.436 179.995 177.584 -0.042 0.000 1.186 461 A CA 2.142 54.125 52.037 -0.089 0.000 0.624 461 A CB -0.985 17.953 19.000 -0.103 0.000 0.822 461 A HN 0.454 nan 8.150 nan 0.000 0.444 462 A N -1.185 121.626 122.820 -0.015 0.000 1.902 462 A HA -0.069 4.243 4.320 -0.014 0.000 0.217 462 A C 2.301 179.939 177.584 0.091 0.000 1.181 462 A CA 2.315 54.425 52.037 0.122 0.000 0.623 462 A CB -1.309 17.823 19.000 0.221 0.000 0.818 462 A HN 0.444 nan 8.150 nan 0.000 0.443 463 T N -0.223 114.338 114.554 0.012 0.000 2.580 463 T HA -0.209 4.133 4.350 -0.014 0.000 0.265 463 T C 2.336 177.053 174.700 0.027 0.000 1.063 463 T CA 2.265 64.373 62.100 0.013 0.000 1.170 463 T CB -0.576 68.261 68.868 -0.051 0.000 0.863 463 T HN 0.660 nan 8.240 nan 0.000 0.418 464 S N 1.490 117.186 115.700 -0.006 0.000 2.365 464 S HA -0.281 4.181 4.470 -0.014 0.000 0.225 464 S C 2.044 176.665 174.600 0.036 0.000 1.039 464 S CA 2.220 60.423 58.200 0.005 0.000 1.033 464 S CB -1.002 62.188 63.200 -0.016 0.000 0.887 464 S HN 0.608 nan 8.310 nan 0.000 0.447 465 N N 0.453 119.185 118.700 0.053 0.000 2.111 465 N HA -0.184 4.548 4.740 -0.014 0.000 0.197 465 N C 1.901 177.478 175.510 0.112 0.000 1.011 465 N CA 1.850 54.954 53.050 0.090 0.000 0.880 465 N CB -0.340 38.243 38.487 0.160 0.000 1.031 465 N HN 0.516 nan 8.380 nan 0.000 0.444 466 L N 1.032 122.335 121.223 0.133 0.000 2.012 466 L HA -0.212 4.120 4.340 -0.014 0.000 0.210 466 L C 2.729 179.680 176.870 0.134 0.000 1.073 466 L CA 1.437 56.378 54.840 0.168 0.000 0.748 466 L CB -0.684 41.461 42.059 0.144 0.000 0.891 466 L HN 0.301 nan 8.230 nan 0.000 0.431 467 K N 0.877 121.327 120.400 0.084 0.000 2.059 467 K HA -0.242 4.069 4.320 -0.014 0.000 0.212 467 K C 2.059 178.677 176.600 0.031 0.000 1.050 467 K CA 1.732 58.054 56.287 0.058 0.000 0.927 467 K CB -0.016 32.503 32.500 0.033 0.000 0.714 467 K HN 0.235 nan 8.250 nan 0.000 0.447 468 K N 0.288 120.693 120.400 0.009 0.000 2.362 468 K HA -0.069 4.243 4.320 -0.014 0.000 0.200 468 K C 1.999 178.523 176.600 -0.126 0.000 1.046 468 K CA 0.747 57.003 56.287 -0.051 0.000 0.952 468 K CB 0.066 32.536 32.500 -0.051 0.000 0.753 468 K HN 0.230 nan 8.250 nan 0.000 0.466 469 L N -0.185 120.998 121.223 -0.068 0.000 2.202 469 L HA -0.074 4.258 4.340 -0.014 0.000 0.205 469 L C 2.120 178.911 176.870 -0.132 0.000 1.083 469 L CA 0.295 55.014 54.840 -0.203 0.000 0.790 469 L CB -0.091 41.991 42.059 0.037 0.000 0.942 469 L HN -0.102 nan 8.230 nan 0.000 0.452 470 V N 0.206 120.209 119.914 0.148 0.000 2.407 470 V HA -0.258 3.854 4.120 -0.014 0.000 0.248 470 V C 2.225 178.346 176.094 0.046 0.000 1.055 470 V CA 1.717 64.156 62.300 0.232 0.000 1.049 470 V CB -0.467 31.490 31.823 0.225 0.000 0.662 470 V HN 0.476 nan 8.190 nan 0.000 0.455 471 E N -0.340 119.833 120.200 -0.044 0.000 2.268 471 E HA -0.223 4.118 4.350 -0.014 0.000 0.195 471 E C 2.053 178.542 176.600 -0.185 0.000 0.995 471 E CA 0.847 57.197 56.400 -0.083 0.000 0.836 471 E CB -0.017 29.633 29.700 -0.083 0.000 0.763 471 E HN 0.415 nan 8.360 nan 0.000 0.491 472 K N -0.492 119.686 120.400 -0.370 0.000 2.284 472 K HA 0.050 4.362 4.320 -0.014 0.000 0.198 472 K C 0.454 176.632 176.600 -0.704 0.000 1.048 472 K CA 0.573 56.465 56.287 -0.658 0.000 0.987 472 K CB 0.438 32.261 32.500 -1.128 0.000 0.800 472 K HN -0.008 nan 8.250 nan 0.000 0.486 473 F N -0.319 119.446 119.950 -0.308 0.000 2.772 473 F HA 0.415 4.934 4.527 -0.014 0.000 0.316 473 F C 0.371 176.128 175.800 -0.072 0.000 1.114 473 F CA -0.382 57.404 58.000 -0.357 0.000 1.191 473 F CB 0.764 39.177 39.000 -0.977 0.000 1.065 473 F HN 0.003 nan 8.300 nan 0.000 0.534 474 G N 1.676 110.568 108.800 0.152 0.000 2.731 474 G HA2 -0.250 3.702 3.960 -0.014 0.000 0.686 474 G HA3 -0.250 3.702 3.960 -0.014 0.000 0.686 474 G C 0.958 176.026 174.900 0.280 0.000 1.395 474 G CA -0.172 45.041 45.100 0.187 0.000 0.870 474 G HN 0.357 nan 8.290 nan 0.000 0.591 475 K N 0.852 121.369 120.400 0.195 0.000 2.020 475 K HA -0.227 4.085 4.320 -0.014 0.000 0.212 475 K C 2.190 178.915 176.600 0.207 0.000 1.050 475 K CA 2.221 58.618 56.287 0.185 0.000 0.929 475 K CB -0.388 32.187 32.500 0.125 0.000 0.714 475 K HN 0.823 nan 8.250 nan 0.000 0.443 476 E N 0.959 121.274 120.200 0.192 0.000 2.187 476 E HA -0.249 4.093 4.350 -0.014 0.000 0.199 476 E C 1.872 178.589 176.600 0.195 0.000 1.004 476 E CA 1.580 58.083 56.400 0.172 0.000 0.813 476 E CB -0.743 29.040 29.700 0.139 0.000 0.736 476 E HN 0.688 nan 8.360 nan 0.000 0.468 477 W N 2.050 123.392 121.300 0.070 0.000 2.518 477 W HA 0.210 4.861 4.660 -0.014 0.000 0.273 477 W C 2.395 178.958 176.519 0.073 0.000 1.247 477 W CA 1.668 59.050 57.345 0.062 0.000 1.288 477 W CB -0.086 29.438 29.460 0.106 0.000 1.107 477 W HN 0.151 nan 8.180 nan 0.000 0.586 478 A N -0.050 122.807 122.820 0.061 0.000 1.841 478 A HA -0.292 4.020 4.320 -0.014 0.000 0.214 478 A C 1.726 179.202 177.584 -0.181 0.000 1.195 478 A CA 1.877 53.800 52.037 -0.190 0.000 0.611 478 A CB -1.678 17.353 19.000 0.053 0.000 0.835 478 A HN 0.473 nan 8.150 nan 0.000 0.443 479 H N 0.121 119.095 119.070 -0.160 0.000 2.568 479 H HA 0.203 4.751 4.556 -0.014 0.000 0.285 479 H C 1.054 176.247 175.328 -0.226 0.000 1.048 479 H CA 0.579 56.502 56.048 -0.209 0.000 1.197 479 H CB -0.314 29.335 29.762 -0.188 0.000 1.343 479 H HN 0.349 nan 8.280 nan 0.000 0.614 480 A N -2.145 120.505 122.820 -0.284 0.000 2.606 480 A HA 0.218 4.530 4.320 -0.014 0.000 0.230 480 A C 1.427 178.809 177.584 -0.337 0.000 1.279 480 A CA 0.386 52.229 52.037 -0.323 0.000 1.010 480 A CB 0.488 19.337 19.000 -0.251 0.000 1.271 480 A HN 0.363 nan 8.150 nan 0.000 0.584 481 T N -1.161 113.099 114.554 -0.491 0.000 3.092 481 T HA 0.374 4.715 4.350 -0.014 0.000 0.273 481 T C 1.030 175.453 174.700 -0.462 0.000 0.898 481 T CA 0.485 62.266 62.100 -0.531 0.000 0.868 481 T CB 0.129 68.474 68.868 -0.872 0.000 1.228 481 T HN 0.227 nan 8.240 nan 0.000 0.555 482 I N 0.152 120.467 120.570 -0.424 0.000 3.746 482 I HA 0.167 4.329 4.170 -0.014 0.000 0.262 482 I C 1.540 177.576 176.117 -0.134 0.000 1.153 482 I CA -0.146 60.998 61.300 -0.260 0.000 1.395 482 I CB 0.292 38.125 38.000 -0.278 0.000 1.589 482 I HN -0.018 nan 8.210 nan 0.000 0.441 483 I N 1.968 122.474 120.570 -0.108 0.000 2.381 483 I HA -0.202 3.960 4.170 -0.014 0.000 0.255 483 I C -0.494 175.601 176.117 -0.037 0.000 1.140 483 I CA 2.052 63.323 61.300 -0.048 0.000 1.404 483 I CB -2.410 35.571 38.000 -0.032 0.000 1.075 483 I HN 0.189 nan 8.210 nan 0.000 0.433 484 P HA -0.129 nan 4.420 nan 0.000 0.210 484 P C 1.737 179.013 177.300 -0.039 0.000 1.191 484 P CA 1.531 64.605 63.100 -0.044 0.000 0.917 484 P CB -0.026 31.631 31.700 -0.072 0.000 0.778 485 K N -0.526 119.841 120.400 -0.054 0.000 2.097 485 K HA -0.073 4.239 4.320 -0.014 0.000 0.206 485 K C 1.812 178.397 176.600 -0.026 0.000 1.049 485 K CA 1.055 57.317 56.287 -0.042 0.000 0.933 485 K CB -1.060 31.409 32.500 -0.052 0.000 0.717 485 K HN -0.060 nan 8.250 nan 0.000 0.442 486 V N 1.343 121.243 119.914 -0.025 0.000 3.026 486 V HA -0.178 3.933 4.120 -0.014 0.000 0.265 486 V C 1.692 177.781 176.094 -0.009 0.000 1.121 486 V CA 1.450 63.744 62.300 -0.009 0.000 1.142 486 V CB -0.531 31.289 31.823 -0.005 0.000 0.730 486 V HN 0.284 nan 8.190 nan 0.000 0.503 487 L N -1.198 120.018 121.223 -0.012 0.000 2.467 487 L HA 0.403 4.735 4.340 -0.014 0.000 0.213 487 L C 1.652 178.515 176.870 -0.011 0.000 1.053 487 L CA 0.441 55.276 54.840 -0.010 0.000 0.847 487 L CB -0.277 41.782 42.059 -0.000 0.000 1.075 487 L HN 0.268 nan 8.230 nan 0.000 0.479 491 G N 1.233 110.027 108.800 -0.010 0.000 3.371 491 G HA2 0.296 4.248 3.960 -0.014 0.000 0.248 491 G HA3 0.296 4.248 3.960 -0.014 0.000 0.248 491 G C -0.220 174.674 174.900 -0.010 0.000 1.161 491 G CA 0.075 45.169 45.100 -0.009 0.000 0.796 491 G HN 0.420 nan 8.290 nan 0.000 0.539 492 D N 0.828 121.223 120.400 -0.008 0.000 2.256 492 D HA 0.215 4.847 4.640 -0.014 0.000 0.250 492 D C -0.700 175.599 176.300 -0.001 0.000 1.093 492 D CA -2.169 51.818 54.000 -0.022 0.000 0.882 492 D CB 2.495 43.276 40.800 -0.031 0.000 1.185 492 D HN -0.015 nan 8.370 nan 0.000 0.437 493 P HA -0.141 nan 4.420 nan 0.000 0.216 493 P C 0.419 177.759 177.300 0.067 0.000 1.153 493 P CA 0.318 63.429 63.100 0.019 0.000 0.848 493 P CB 0.175 31.878 31.700 0.005 0.000 0.787 494 N N 0.773 119.511 118.700 0.064 0.000 2.416 494 N HA -0.086 4.646 4.740 -0.014 0.000 0.271 494 N C 1.294 176.966 175.510 0.271 0.000 1.245 494 N CA -0.097 53.063 53.050 0.183 0.000 0.940 494 N CB 0.090 38.647 38.487 0.116 0.000 1.175 494 N HN 0.089 nan 8.380 nan 0.000 0.483 495 Y N 4.001 124.338 120.300 0.061 0.000 2.241 495 Y HA -0.208 4.334 4.550 -0.014 0.000 0.286 495 Y C 1.708 177.642 175.900 0.057 0.000 1.166 495 Y CA 1.093 59.213 58.100 0.033 0.000 1.203 495 Y CB -0.750 37.718 38.460 0.014 0.000 0.977 495 Y HN 0.482 nan 8.280 nan 0.000 0.529 496 L N -0.274 120.670 121.223 -0.464 0.000 2.013 496 L HA -0.286 4.045 4.340 -0.014 0.000 0.212 496 L C 2.539 179.319 176.870 -0.151 0.000 1.073 496 L CA 2.214 56.781 54.840 -0.455 0.000 0.753 496 L CB -0.704 41.196 42.059 -0.265 0.000 0.890 496 L HN 0.324 nan 8.230 nan 0.000 0.432 497 H N -1.455 117.560 119.070 -0.093 0.000 2.403 497 H HA -0.008 4.540 4.556 -0.014 0.000 0.298 497 H C 1.433 176.716 175.328 -0.075 0.000 1.059 497 H CA 0.269 56.284 56.048 -0.054 0.000 1.363 497 H CB -0.184 29.561 29.762 -0.028 0.000 1.410 497 H HN 0.206 nan 8.280 nan 0.000 0.528 501 T N 3.243 117.737 114.554 -0.101 0.000 2.595 501 T HA 0.005 4.347 4.350 -0.014 0.000 0.264 501 T C 1.945 176.589 174.700 -0.093 0.000 1.058 501 T CA 1.525 63.583 62.100 -0.069 0.000 1.166 501 T CB -0.566 68.259 68.868 -0.071 0.000 0.863 501 T HN 0.204 nan 8.240 nan 0.000 0.415 502 L N -0.187 120.909 121.223 -0.212 0.000 2.051 502 L HA -0.168 4.164 4.340 -0.014 0.000 0.214 502 L C 2.366 179.191 176.870 -0.075 0.000 1.076 502 L CA 1.623 56.345 54.840 -0.197 0.000 0.758 502 L CB -0.695 41.165 42.059 -0.332 0.000 0.890 502 L HN 0.314 nan 8.230 nan 0.000 0.433 503 F N -0.991 118.925 119.950 -0.058 0.000 2.046 503 F HA -0.344 4.175 4.527 -0.014 0.000 0.297 503 F C 2.831 178.606 175.800 -0.040 0.000 1.123 503 F CA 1.202 59.169 58.000 -0.056 0.000 1.199 503 F CB -0.776 38.177 39.000 -0.079 0.000 0.972 503 F HN 0.179 nan 8.300 nan 0.000 0.474 504 C N 0.831 120.235 119.300 0.172 0.000 2.393 504 C HA -0.229 4.223 4.460 -0.014 0.000 0.276 504 C C 2.694 177.725 174.990 0.067 0.000 1.215 504 C CA 0.881 59.954 59.018 0.092 0.000 1.743 504 C CB -1.222 26.557 27.740 0.065 0.000 2.044 504 C HN 0.416 nan 8.230 nan 0.000 0.464 505 I N 1.504 122.103 120.570 0.048 0.000 2.145 505 I HA -0.312 3.850 4.170 -0.014 0.000 0.244 505 I C 1.994 178.135 176.117 0.039 0.000 1.075 505 I CA 2.090 63.409 61.300 0.031 0.000 1.332 505 I CB -0.824 37.181 38.000 0.008 0.000 1.033 505 I HN 0.550 nan 8.210 nan 0.000 0.410 506 N N -0.106 118.627 118.700 0.055 0.000 2.513 506 N HA -0.123 4.608 4.740 -0.014 0.000 0.187 506 N C 1.488 177.025 175.510 0.046 0.000 1.056 506 N CA 0.582 53.664 53.050 0.053 0.000 0.907 506 N CB 0.165 38.700 38.487 0.080 0.000 0.954 506 N HN 0.244 nan 8.380 nan 0.000 0.445 507 V N 0.302 120.245 119.914 0.049 0.000 2.743 507 V HA -0.016 4.096 4.120 -0.014 0.000 0.237 507 V C 1.955 178.074 176.094 0.042 0.000 1.113 507 V CA 0.362 62.686 62.300 0.041 0.000 1.141 507 V CB -0.160 31.687 31.823 0.041 0.000 0.873 507 V HN 0.168 nan 8.190 nan 0.000 0.486 508 L N 1.666 122.918 121.223 0.048 0.000 2.129 508 L HA -0.173 4.159 4.340 -0.014 0.000 0.212 508 L C 2.749 179.646 176.870 0.044 0.000 1.087 508 L CA 2.628 57.499 54.840 0.052 0.000 0.757 508 L CB -1.733 40.355 42.059 0.049 0.000 0.896 508 L HN 0.639 nan 8.230 nan 0.000 0.434 509 S N -0.830 114.891 115.700 0.035 0.000 2.399 509 S HA -0.202 4.260 4.470 -0.014 0.000 0.231 509 S C 1.661 176.278 174.600 0.028 0.000 1.022 509 S CA 0.984 59.201 58.200 0.029 0.000 0.983 509 S CB -0.480 62.733 63.200 0.022 0.000 0.803 509 S HN 0.500 nan 8.310 nan 0.000 0.480 510 E N 0.911 121.128 120.200 0.028 0.000 2.219 510 E HA -0.093 4.249 4.350 -0.014 0.000 0.198 510 E C 0.826 177.442 176.600 0.027 0.000 0.998 510 E CA 1.412 57.827 56.400 0.025 0.000 0.818 510 E CB -0.217 29.496 29.700 0.023 0.000 0.741 510 E HN 0.715 nan 8.360 nan 0.000 0.477 511 V N -3.223 116.712 119.914 0.035 0.000 2.719 511 V HA 0.326 4.438 4.120 -0.014 0.000 0.330 511 V C -0.207 175.919 176.094 0.054 0.000 1.224 511 V CA -0.731 61.593 62.300 0.041 0.000 1.314 511 V CB 0.121 31.969 31.823 0.041 0.000 1.416 511 V HN 0.089 nan 8.190 nan 0.000 0.651 512 C N 1.649 120.977 119.300 0.048 0.000 3.395 512 C HA 0.729 5.181 4.460 -0.014 0.000 0.264 512 C C 1.417 176.433 174.990 0.044 0.000 2.141 512 C CA -0.109 58.942 59.018 0.055 0.000 1.689 512 C CB -0.729 27.043 27.740 0.052 0.000 3.416 512 C HN 1.475 nan 8.230 nan 0.000 0.432 513 G N 1.210 110.033 108.800 0.038 0.000 3.044 513 G HA2 -0.288 3.664 3.960 -0.014 0.000 0.648 513 G HA3 -0.288 3.664 3.960 -0.014 0.000 0.648 513 G C 0.613 175.527 174.900 0.023 0.000 1.620 513 G CA 0.537 45.656 45.100 0.031 0.000 1.109 513 G HN 0.542 nan 8.290 nan 0.000 0.587 514 Q N -0.464 119.346 119.800 0.017 0.000 2.112 514 Q HA -0.185 4.146 4.340 -0.014 0.000 0.206 514 Q C 1.988 177.991 176.000 0.005 0.000 0.987 514 Q CA 2.194 58.003 55.803 0.010 0.000 0.858 514 Q CB -0.128 28.615 28.738 0.008 0.000 0.905 514 Q HN 0.738 nan 8.270 nan 0.000 0.420 515 D N 0.012 120.419 120.400 0.010 0.000 2.127 515 D HA -0.171 4.460 4.640 -0.014 0.000 0.206 515 D C 2.004 178.305 176.300 0.001 0.000 0.989 515 D CA 1.667 55.670 54.000 0.005 0.000 0.877 515 D CB -0.376 40.437 40.800 0.022 0.000 1.042 515 D HN 0.290 nan 8.370 nan 0.000 0.455 516 I N 1.049 121.635 120.570 0.026 0.000 2.191 516 I HA -0.369 3.793 4.170 -0.014 0.000 0.248 516 I C 2.432 178.564 176.117 0.025 0.000 1.061 516 I CA 1.451 62.775 61.300 0.039 0.000 1.329 516 I CB -0.877 37.136 38.000 0.021 0.000 1.024 516 I HN 0.070 nan 8.210 nan 0.000 0.423 517 T N 0.008 114.568 114.554 0.011 0.000 2.643 517 T HA -0.172 4.170 4.350 -0.014 0.000 0.264 517 T C 1.911 176.599 174.700 -0.020 0.000 1.045 517 T CA 2.230 64.332 62.100 0.003 0.000 1.155 517 T CB -0.546 68.325 68.868 0.005 0.000 0.863 517 T HN 0.402 nan 8.240 nan 0.000 0.420 518 T N 1.560 116.095 114.554 -0.032 0.000 2.833 518 T HA -0.026 4.316 4.350 -0.014 0.000 0.269 518 T C 1.873 176.511 174.700 -0.104 0.000 1.054 518 T CA 1.013 63.081 62.100 -0.053 0.000 1.135 518 T CB -0.072 68.771 68.868 -0.043 0.000 0.869 518 T HN 0.341 nan 8.240 nan 0.000 0.466 519 K N -0.646 119.653 120.400 -0.168 0.000 2.352 519 K HA 0.118 4.430 4.320 -0.014 0.000 0.194 519 K C 0.474 176.713 176.600 -0.601 0.000 1.038 519 K CA 0.357 56.426 56.287 -0.364 0.000 1.023 519 K CB 0.402 32.637 32.500 -0.442 0.000 0.840 519 K HN 0.432 nan 8.250 nan 0.000 0.519 523 P HA -0.045 nan 4.420 nan 0.000 0.214 523 P C 1.173 178.458 177.300 -0.025 0.000 1.163 523 P CA 2.707 65.786 63.100 -0.035 0.000 0.883 523 P CB -0.082 31.592 31.700 -0.043 0.000 0.788 524 T N -1.908 112.634 114.554 -0.021 0.000 3.072 524 T HA -0.013 4.328 4.350 -0.014 0.000 0.266 524 T C 1.641 176.323 174.700 -0.030 0.000 1.127 524 T CA 0.518 62.605 62.100 -0.022 0.000 1.107 524 T CB -0.796 68.062 68.868 -0.016 0.000 0.910 524 T HN -0.094 nan 8.240 nan 0.000 0.513 525 V N 0.649 120.546 119.914 -0.029 0.000 3.306 525 V HA 0.159 4.271 4.120 -0.014 0.000 0.264 525 V C 1.954 178.030 176.094 -0.029 0.000 1.149 525 V CA 0.872 63.152 62.300 -0.034 0.000 1.143 525 V CB -0.424 31.383 31.823 -0.028 0.000 0.767 525 V HN 0.476 nan 8.190 nan 0.000 0.476 526 L N -1.135 120.074 121.223 -0.024 0.000 2.356 526 L HA 0.221 4.553 4.340 -0.014 0.000 0.193 526 L C 1.695 178.555 176.870 -0.017 0.000 1.087 526 L CA 0.232 55.062 54.840 -0.017 0.000 0.817 526 L CB -0.348 41.702 42.059 -0.016 0.000 1.035 526 L HN 0.148 nan 8.230 nan 0.000 0.482 530 G N 0.379 109.180 108.800 0.000 0.000 4.804 530 G HA2 0.438 4.390 3.960 -0.014 0.000 0.310 530 G HA3 0.438 4.390 3.960 -0.014 0.000 0.310 530 G C -0.707 174.195 174.900 0.003 0.000 1.389 530 G CA 0.270 45.373 45.100 0.005 0.000 1.106 530 G HN 0.238 nan 8.290 nan 0.000 0.595 531 D N 0.843 121.244 120.400 0.002 0.000 2.181 531 D HA 0.282 4.914 4.640 -0.014 0.000 0.248 531 D C -1.114 175.191 176.300 0.009 0.000 1.020 531 D CA -1.731 52.270 54.000 0.001 0.000 0.891 531 D CB 3.267 44.062 40.800 -0.008 0.000 1.187 531 D HN 0.009 nan 8.370 nan 0.000 0.443 532 P HA -0.094 nan 4.420 nan 0.000 0.214 532 P C 0.620 177.923 177.300 0.005 0.000 1.162 532 P CA 0.394 63.497 63.100 0.004 0.000 0.879 532 P CB 0.148 31.845 31.700 -0.004 0.000 0.786 533 V N 1.944 121.854 119.914 -0.007 0.000 2.420 533 V HA 0.049 4.161 4.120 -0.014 0.000 0.274 533 V C 2.124 178.240 176.094 0.037 0.000 1.003 533 V CA 0.559 62.847 62.300 -0.020 0.000 1.092 533 V CB -0.379 31.414 31.823 -0.049 0.000 1.002 533 V HN 0.161 nan 8.190 nan 0.000 0.473 534 A N 4.738 127.607 122.820 0.081 0.000 1.997 534 A HA -0.244 4.068 4.320 -0.014 0.000 0.221 534 A C 2.030 179.770 177.584 0.259 0.000 1.172 534 A CA 2.296 54.443 52.037 0.183 0.000 0.645 534 A CB -0.585 18.546 19.000 0.218 0.000 0.813 534 A HN 0.801 nan 8.150 nan 0.000 0.454 535 N N 0.014 118.832 118.700 0.197 0.000 2.069 535 N HA -0.135 4.597 4.740 -0.014 0.000 0.191 535 N C 1.479 176.683 175.510 -0.510 0.000 1.031 535 N CA 1.681 54.680 53.050 -0.084 0.000 0.852 535 N CB -0.639 37.993 38.487 0.242 0.000 1.018 535 N HN 0.271 nan 8.380 nan 0.000 0.423 536 V N 1.063 120.879 119.914 -0.163 0.000 2.594 536 V HA -0.148 3.964 4.120 -0.014 0.000 0.253 536 V C 2.158 178.139 176.094 -0.188 0.000 1.069 536 V CA 1.401 63.590 62.300 -0.186 0.000 1.082 536 V CB -0.375 31.412 31.823 -0.061 0.000 0.680 536 V HN 0.302 nan 8.190 nan 0.000 0.469 537 R N 0.173 120.613 120.500 -0.100 0.000 2.057 537 R HA -0.018 4.314 4.340 -0.014 0.000 0.224 537 R C 2.347 178.671 176.300 0.039 0.000 1.136 537 R CA 1.567 57.663 56.100 -0.006 0.000 0.968 537 R CB -0.571 29.777 30.300 0.080 0.000 0.863 537 R HN 0.676 nan 8.270 nan 0.000 0.433 538 F N 1.081 121.090 119.950 0.098 0.000 2.546 538 F HA 0.036 4.555 4.527 -0.014 0.000 0.298 538 F C 1.481 177.284 175.800 0.005 0.000 1.120 538 F CA 0.538 58.630 58.000 0.153 0.000 1.456 538 F CB -0.410 38.807 39.000 0.361 0.000 1.088 538 F HN -0.117 nan 8.300 nan 0.000 0.572 539 N N 0.903 119.350 118.700 -0.420 0.000 2.336 539 N HA -0.038 4.694 4.740 -0.014 0.000 0.177 539 N C 2.021 177.429 175.510 -0.170 0.000 1.018 539 N CA 1.068 53.909 53.050 -0.349 0.000 0.878 539 N CB -0.120 38.073 38.487 -0.489 0.000 0.997 539 N HN 0.287 nan 8.380 nan 0.000 0.433 540 V N 1.794 121.624 119.914 -0.140 0.000 2.453 540 V HA -0.238 3.874 4.120 -0.014 0.000 0.252 540 V C 2.352 178.431 176.094 -0.025 0.000 1.068 540 V CA 1.952 64.206 62.300 -0.077 0.000 1.070 540 V CB -0.737 31.055 31.823 -0.052 0.000 0.664 540 V HN 0.284 nan 8.190 nan 0.000 0.461 541 A N -0.521 122.310 122.820 0.018 0.000 1.854 541 A HA -0.169 4.142 4.320 -0.014 0.000 0.214 541 A C 2.255 179.856 177.584 0.028 0.000 1.192 541 A CA 1.556 53.625 52.037 0.053 0.000 0.611 541 A CB -0.417 18.662 19.000 0.132 0.000 0.832 541 A HN 0.496 nan 8.150 nan 0.000 0.442 542 K N 0.252 120.652 120.400 -0.000 0.000 2.218 542 K HA -0.108 4.204 4.320 -0.014 0.000 0.205 542 K C 2.254 178.845 176.600 -0.016 0.000 1.046 542 K CA 1.523 57.786 56.287 -0.040 0.000 0.933 542 K CB -0.154 32.268 32.500 -0.130 0.000 0.728 542 K HN 0.447 nan 8.250 nan 0.000 0.454 543 S N 1.259 116.946 115.700 -0.020 0.000 2.362 543 S HA -0.007 4.455 4.470 -0.014 0.000 0.221 543 S C 1.849 176.447 174.600 -0.002 0.000 1.032 543 S CA 0.737 58.931 58.200 -0.010 0.000 0.973 543 S CB -0.129 63.052 63.200 -0.032 0.000 0.849 543 S HN 0.182 nan 8.310 nan 0.000 0.465 544 L N 1.583 122.804 121.223 -0.004 0.000 2.261 544 L HA -0.148 4.183 4.340 -0.014 0.000 0.216 544 L C 2.675 179.549 176.870 0.006 0.000 1.114 544 L CA 1.060 55.901 54.840 0.001 0.000 0.777 544 L CB -0.381 41.680 42.059 0.003 0.000 0.910 544 L HN 0.403 nan 8.230 nan 0.000 0.440 545 Q N 0.145 119.951 119.800 0.009 0.000 2.245 545 Q HA -0.204 4.128 4.340 -0.014 0.000 0.201 545 Q C 2.095 178.102 176.000 0.012 0.000 0.955 545 Q CA 0.975 56.785 55.803 0.011 0.000 0.870 545 Q CB 0.291 29.037 28.738 0.014 0.000 0.945 545 Q HN 0.192 nan 8.270 nan 0.000 0.461 546 K N 1.113 121.521 120.400 0.013 0.000 2.098 546 K HA -0.055 4.257 4.320 -0.014 0.000 0.203 546 K C 1.719 178.327 176.600 0.014 0.000 1.051 546 K CA 1.215 57.511 56.287 0.016 0.000 0.957 546 K CB -0.204 32.309 32.500 0.022 0.000 0.738 546 K HN 0.410 nan 8.250 nan 0.000 0.447 547 I N -2.327 118.250 120.570 0.011 0.000 3.735 547 I HA 0.305 4.467 4.170 -0.014 0.000 0.310 547 I C 1.440 177.561 176.117 0.006 0.000 1.270 547 I CA 0.132 61.437 61.300 0.009 0.000 1.207 547 I CB -0.334 37.669 38.000 0.006 0.000 1.013 547 I HN 0.071 nan 8.210 nan 0.000 0.452 548 G N 3.040 111.844 108.800 0.007 0.000 2.666 548 G HA2 -0.128 3.824 3.960 -0.014 0.000 0.215 548 G HA3 -0.128 3.824 3.960 -0.014 0.000 0.215 548 G C -0.450 174.454 174.900 0.006 0.000 1.294 548 G CA 1.109 46.213 45.100 0.006 0.000 0.811 548 G HN 0.331 nan 8.290 nan 0.000 0.594 549 P HA -0.135 nan 4.420 nan 0.000 0.218 549 P C 1.868 179.172 177.300 0.007 0.000 1.154 549 P CA 1.044 64.148 63.100 0.007 0.000 0.872 549 P CB -0.148 31.557 31.700 0.009 0.000 0.790 550 I N -2.057 118.517 120.570 0.008 0.000 2.530 550 I HA -0.177 3.985 4.170 -0.014 0.000 0.257 550 I C 1.233 177.353 176.117 0.005 0.000 1.179 550 I CA 0.577 61.881 61.300 0.008 0.000 1.440 550 I CB -0.535 37.471 38.000 0.010 0.000 1.087 550 I HN -0.046 nan 8.210 nan 0.000 0.440 551 L N 1.050 122.274 121.223 0.002 0.000 2.418 551 L HA 0.123 4.455 4.340 -0.014 0.000 0.265 551 L C -0.057 176.812 176.870 -0.001 0.000 1.143 551 L CA -0.659 54.180 54.840 -0.001 0.000 0.809 551 L CB 0.552 42.609 42.059 -0.004 0.000 1.124 551 L HN 0.142 nan 8.230 nan 0.000 0.456 552 D N -0.232 120.167 120.400 -0.003 0.000 2.264 552 D HA 0.043 4.675 4.640 -0.014 0.000 0.250 552 D C 0.698 176.997 176.300 -0.002 0.000 1.113 552 D CA -0.596 53.403 54.000 -0.002 0.000 0.871 552 D CB 0.713 41.511 40.800 -0.003 0.000 1.167 552 D HN 0.423 nan 8.370 nan 0.000 0.447 553 N N 2.092 120.792 118.700 -0.000 0.000 2.165 553 N HA -0.370 4.361 4.740 -0.014 0.000 0.198 553 N C 1.476 176.985 175.510 -0.001 0.000 0.999 553 N CA 2.018 55.068 53.050 -0.000 0.000 0.893 553 N CB -0.201 38.287 38.487 0.001 0.000 1.025 553 N HN 0.450 nan 8.380 nan 0.000 0.456 554 S N -1.976 113.722 115.700 -0.003 0.000 2.368 554 S HA -0.069 4.393 4.470 -0.014 0.000 0.224 554 S C 1.679 176.276 174.600 -0.006 0.000 1.029 554 S CA 1.824 60.022 58.200 -0.004 0.000 0.988 554 S CB -0.621 62.576 63.200 -0.005 0.000 0.838 554 S HN 0.579 nan 8.310 nan 0.000 0.462 555 T N 2.468 117.018 114.554 -0.008 0.000 2.904 555 T HA 0.087 4.429 4.350 -0.014 0.000 0.267 555 T C 1.753 176.449 174.700 -0.008 0.000 1.059 555 T CA 0.837 62.931 62.100 -0.010 0.000 1.137 555 T CB -0.363 68.496 68.868 -0.014 0.000 0.879 555 T HN 0.266 nan 8.240 nan 0.000 0.467 556 L N 0.829 122.049 121.223 -0.005 0.000 1.955 556 L HA -0.130 4.201 4.340 -0.014 0.000 0.213 556 L C 2.007 178.876 176.870 -0.002 0.000 1.072 556 L CA 1.588 56.426 54.840 -0.003 0.000 0.755 556 L CB -0.313 41.746 42.059 -0.001 0.000 0.888 556 L HN 0.290 nan 8.230 nan 0.000 0.432 557 Q N -1.457 118.343 119.800 -0.001 0.000 2.247 557 Q HA -0.016 4.316 4.340 -0.014 0.000 0.234 557 Q C 0.897 176.896 176.000 -0.002 0.000 0.899 557 Q CA 0.261 56.064 55.803 -0.000 0.000 0.951 557 Q CB 0.481 29.219 28.738 0.000 0.000 1.057 557 Q HN 0.379 nan 8.270 nan 0.000 0.444 558 S N 0.068 115.766 115.700 -0.003 0.000 3.472 558 S HA 0.056 4.518 4.470 -0.014 0.000 0.247 558 S C 0.986 175.583 174.600 -0.006 0.000 1.084 558 S CA -0.094 58.103 58.200 -0.005 0.000 0.795 558 S CB 0.396 63.592 63.200 -0.007 0.000 0.892 558 S HN 0.293 nan 8.310 nan 0.000 0.513 559 E N 0.354 120.549 120.200 -0.008 0.000 2.498 559 E HA 0.277 4.619 4.350 -0.014 0.000 0.203 559 E C 0.894 177.489 176.600 -0.007 0.000 1.013 559 E CA 0.018 56.413 56.400 -0.009 0.000 0.927 559 E CB 1.103 30.794 29.700 -0.015 0.000 1.012 559 E HN 0.293 nan 8.360 nan 0.000 0.482 560 V N 0.653 120.565 119.914 -0.004 0.000 2.988 560 V HA -0.077 4.035 4.120 -0.014 0.000 0.223 560 V C 2.068 178.164 176.094 0.003 0.000 1.144 560 V CA 0.726 63.025 62.300 -0.001 0.000 1.242 560 V CB -0.222 31.600 31.823 -0.001 0.000 1.073 560 V HN 0.045 nan 8.190 nan 0.000 0.508 561 K N 0.863 121.265 120.400 0.003 0.000 2.049 561 K HA -0.273 4.038 4.320 -0.014 0.000 0.219 561 K C -0.311 176.293 176.600 0.006 0.000 1.056 561 K CA 2.823 59.113 56.287 0.005 0.000 0.946 561 K CB -1.363 31.140 32.500 0.004 0.000 0.723 561 K HN 0.327 nan 8.250 nan 0.000 0.453 562 P HA -0.162 nan 4.420 nan 0.000 0.217 562 P C 1.323 178.627 177.300 0.006 0.000 1.148 562 P CA 1.289 64.392 63.100 0.005 0.000 0.828 562 P CB 0.012 31.714 31.700 0.002 0.000 0.783 563 I N -2.001 118.572 120.570 0.006 0.000 3.645 563 I HA 0.050 4.212 4.170 -0.014 0.000 0.300 563 I C 1.391 177.516 176.117 0.013 0.000 1.260 563 I CA 0.348 61.653 61.300 0.008 0.000 1.365 563 I CB 0.178 38.180 38.000 0.003 0.000 1.077 563 I HN -0.150 nan 8.210 nan 0.000 0.439 564 L N 0.502 121.733 121.223 0.014 0.000 2.629 564 L HA 0.148 4.480 4.340 -0.014 0.000 0.230 564 L C 1.605 178.488 176.870 0.022 0.000 1.151 564 L CA 0.237 55.089 54.840 0.020 0.000 0.924 564 L CB -0.168 41.901 42.059 0.016 0.000 1.137 564 L HN 0.177 nan 8.230 nan 0.000 0.457 565 E N -0.279 119.932 120.200 0.018 0.000 2.256 565 E HA -0.098 4.243 4.350 -0.014 0.000 0.198 565 E C 1.323 177.935 176.600 0.021 0.000 0.908 565 E CA 0.106 56.517 56.400 0.018 0.000 0.915 565 E CB 0.189 29.896 29.700 0.013 0.000 0.890 565 E HN 0.272 nan 8.360 nan 0.000 0.484 566 K N 1.264 121.675 120.400 0.019 0.000 2.585 566 K HA -0.035 4.277 4.320 -0.014 0.000 0.194 566 K C 1.500 178.117 176.600 0.029 0.000 1.037 566 K CA 0.373 56.672 56.287 0.021 0.000 0.964 566 K CB 0.071 32.581 32.500 0.017 0.000 0.787 566 K HN 0.059 nan 8.250 nan 0.000 0.488 567 L N -1.376 119.868 121.223 0.035 0.000 2.624 567 L HA 0.013 4.344 4.340 -0.014 0.000 0.222 567 L C 2.121 179.022 176.870 0.052 0.000 1.046 567 L CA 0.507 55.378 54.840 0.051 0.000 0.872 567 L CB -0.212 41.884 42.059 0.063 0.000 1.190 567 L HN 0.181 nan 8.230 nan 0.000 0.487 568 T N -2.662 111.917 114.554 0.041 0.000 2.946 568 T HA -0.166 4.176 4.350 -0.014 0.000 0.271 568 T C 1.176 175.895 174.700 0.032 0.000 1.104 568 T CA 0.952 63.073 62.100 0.036 0.000 1.114 568 T CB -0.128 68.755 68.868 0.025 0.000 0.867 568 T HN 0.148 nan 8.240 nan 0.000 0.513 569 Q N 1.520 121.339 119.800 0.031 0.000 2.490 569 Q HA 0.372 4.704 4.340 -0.014 0.000 0.397 569 Q C -1.112 174.905 176.000 0.030 0.000 0.937 569 Q CA -0.201 55.617 55.803 0.026 0.000 1.108 569 Q CB 0.734 29.484 28.738 0.020 0.000 1.336 569 Q HN 0.527 nan 8.270 nan 0.000 0.410 570 D N 0.053 120.476 120.400 0.038 0.000 2.299 570 D HA 0.096 4.728 4.640 -0.014 0.000 0.243 570 D C 0.874 177.198 176.300 0.039 0.000 0.982 570 D CA -0.375 53.651 54.000 0.043 0.000 0.924 570 D CB 1.528 42.365 40.800 0.062 0.000 1.238 570 D HN 0.013 nan 8.370 nan 0.000 0.484 571 Q N 1.597 121.418 119.800 0.037 0.000 1.895 571 Q HA -0.180 4.151 4.340 -0.014 0.000 0.217 571 Q C -0.165 175.854 176.000 0.032 0.000 1.003 571 Q CA 1.161 56.982 55.803 0.030 0.000 0.871 571 Q CB -0.417 28.339 28.738 0.029 0.000 0.941 571 Q HN 0.623 nan 8.270 nan 0.000 0.421 572 D N 0.749 121.177 120.400 0.046 0.000 2.554 572 D HA -0.080 4.552 4.640 -0.014 0.000 0.251 572 D C 1.300 177.620 176.300 0.033 0.000 1.213 572 D CA 0.064 54.093 54.000 0.049 0.000 0.900 572 D CB 0.875 41.730 40.800 0.090 0.000 1.135 572 D HN 0.181 nan 8.370 nan 0.000 0.522 573 V N 4.328 124.240 119.914 -0.002 0.000 2.418 573 V HA -0.307 3.805 4.120 -0.014 0.000 0.258 573 V C 1.886 177.939 176.094 -0.069 0.000 1.088 573 V CA 1.933 64.211 62.300 -0.037 0.000 1.091 573 V CB -0.332 31.451 31.823 -0.066 0.000 0.669 573 V HN 0.585 nan 8.190 nan 0.000 0.461 574 D N -0.092 120.258 120.400 -0.084 0.000 2.106 574 D HA -0.077 4.554 4.640 -0.014 0.000 0.203 574 D C 2.268 178.579 176.300 0.018 0.000 0.977 574 D CA 1.334 55.221 54.000 -0.189 0.000 0.844 574 D CB -0.416 40.168 40.800 -0.360 0.000 1.002 574 D HN 0.342 nan 8.370 nan 0.000 0.461 575 V N 1.793 121.829 119.914 0.202 0.000 2.370 575 V HA -0.298 3.814 4.120 -0.014 0.000 0.252 575 V C 2.471 178.678 176.094 0.188 0.000 1.068 575 V CA 1.756 64.244 62.300 0.314 0.000 1.061 575 V CB -0.490 31.482 31.823 0.249 0.000 0.656 575 V HN 0.208 nan 8.190 nan 0.000 0.455 576 K N -0.740 119.719 120.400 0.099 0.000 1.969 576 K HA -0.264 4.047 4.320 -0.014 0.000 0.216 576 K C 2.303 178.936 176.600 0.056 0.000 1.048 576 K CA 2.294 58.620 56.287 0.066 0.000 0.948 576 K CB -0.512 32.012 32.500 0.039 0.000 0.726 576 K HN 0.448 nan 8.250 nan 0.000 0.442 577 Y N 0.676 120.887 120.300 -0.148 0.000 2.139 577 Y HA -0.263 4.279 4.550 -0.014 0.000 0.282 577 Y C 1.789 177.598 175.900 -0.152 0.000 1.179 577 Y CA 1.850 59.813 58.100 -0.228 0.000 1.161 577 Y CB -0.486 37.704 38.460 -0.450 0.000 0.970 577 Y HN 0.118 nan 8.280 nan 0.000 0.511 578 F N -0.441 119.461 119.950 -0.081 0.000 2.502 578 F HA 0.026 4.545 4.527 -0.014 0.000 0.298 578 F C 2.424 178.171 175.800 -0.088 0.000 1.111 578 F CA 0.677 58.596 58.000 -0.136 0.000 1.445 578 F CB -1.108 37.950 39.000 0.097 0.000 1.081 578 F HN 0.186 nan 8.300 nan 0.000 0.558 579 A N -0.653 122.234 122.820 0.113 0.000 1.903 579 A HA -0.133 4.178 4.320 -0.014 0.000 0.213 579 A C 2.110 179.698 177.584 0.005 0.000 1.185 579 A CA 1.139 53.218 52.037 0.071 0.000 0.628 579 A CB -0.624 18.421 19.000 0.074 0.000 0.830 579 A HN 0.303 nan 8.150 nan 0.000 0.446 580 Q N 0.313 120.090 119.800 -0.038 0.000 2.020 580 Q HA -0.203 4.128 4.340 -0.014 0.000 0.202 580 Q C 1.702 177.646 176.000 -0.095 0.000 0.982 580 Q CA 2.204 57.974 55.803 -0.055 0.000 0.838 580 Q CB -0.343 28.368 28.738 -0.045 0.000 0.899 580 Q HN 0.554 nan 8.270 nan 0.000 0.423 581 E N -1.056 119.012 120.200 -0.219 0.000 2.533 581 E HA 0.013 4.355 4.350 -0.014 0.000 0.201 581 E C 0.826 177.384 176.600 -0.070 0.000 1.097 581 E CA 0.759 57.041 56.400 -0.195 0.000 0.887 581 E CB -0.208 29.254 29.700 -0.396 0.000 0.855 581 E HN 0.464 nan 8.360 nan 0.000 0.540 582 A N -0.774 122.025 122.820 -0.034 0.000 2.115 582 A HA 0.178 4.490 4.320 -0.014 0.000 0.211 582 A C 1.724 179.307 177.584 -0.001 0.000 1.169 582 A CA 0.081 52.118 52.037 0.001 0.000 0.787 582 A CB 0.073 19.087 19.000 0.023 0.000 0.858 582 A HN 0.289 nan 8.150 nan 0.000 0.474 583 L N -1.206 120.013 121.223 -0.007 0.000 2.116 583 L HA -0.031 4.300 4.340 -0.014 0.000 0.200 583 L C 2.519 179.388 176.870 -0.002 0.000 1.084 583 L CA 1.460 56.299 54.840 -0.001 0.000 0.766 583 L CB -1.099 40.960 42.059 -0.000 0.000 0.930 583 L HN 0.209 nan 8.230 nan 0.000 0.453 584 T N -0.103 114.447 114.554 -0.006 0.000 2.836 584 T HA -0.176 4.165 4.350 -0.014 0.000 0.268 584 T C 1.704 176.406 174.700 0.004 0.000 1.080 584 T CA 1.392 63.492 62.100 -0.000 0.000 1.128 584 T CB -0.201 68.666 68.868 -0.000 0.000 0.839 584 T HN 0.090 nan 8.240 nan 0.000 0.507 585 V N -0.051 119.864 119.914 0.002 0.000 3.125 585 V HA 0.213 4.325 4.120 -0.014 0.000 0.249 585 V C 2.097 178.196 176.094 0.008 0.000 1.113 585 V CA 0.534 62.839 62.300 0.008 0.000 1.106 585 V CB -0.183 31.646 31.823 0.010 0.000 0.768 585 V HN 0.405 nan 8.190 nan 0.000 0.468 586 L N -0.020 121.207 121.223 0.006 0.000 2.492 586 L HA 0.123 4.455 4.340 -0.014 0.000 0.223 586 L C 0.895 177.768 176.870 0.006 0.000 1.132 586 L CA 0.314 55.158 54.840 0.006 0.000 0.850 586 L CB -0.091 41.971 42.059 0.006 0.000 0.966 586 L HN 0.408 nan 8.230 nan 0.000 0.454 587 S N 0.591 116.294 115.700 0.006 0.000 3.766 587 S HA -0.126 4.336 4.470 -0.014 0.000 0.416 587 S C 0.466 175.069 174.600 0.005 0.000 0.902 587 S CA 0.149 58.352 58.200 0.006 0.000 1.283 587 S CB -1.294 61.910 63.200 0.006 0.000 0.891 587 S HN 0.335 nan 8.310 nan 0.000 0.556 588 L N -0.508 120.718 121.223 0.005 0.000 3.168 588 L HA 0.663 4.995 4.340 -0.014 0.000 0.277 588 L C 0.592 177.465 176.870 0.005 0.000 1.245 588 L CA 0.413 55.256 54.840 0.005 0.000 1.035 588 L CB -0.008 42.053 42.059 0.005 0.000 1.399 588 L HN 0.672 nan 8.230 nan 0.000 0.580 589 A N 0.000 122.823 122.820 0.005 0.000 2.254 589 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 589 A CA 0.000 52.041 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