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 3pm9_1_F DATA FIRST_RESID 11 DATA SEQUENCE TLSPELIARF TAIVGDKHAL TDPLELEAYI TEERNLYRGH SPLVLRPGST DATA SEQUENCE EEVVAICKLA NEARVALVPQ GGNTGLVGGQ TPHNGEVVIS LKRXDKIREI DATA SEQUENCE DTSSNTITVE AGAILQRVQE KAAEVDRLFP LSLGAQGSCT IGGNLSTNAG DATA SEQUENCE GTAALAYGLA RDXALGVEVV LADGRVXNLL SKLKKDNTGY DLRDLFIGAE DATA SEQUENCE GTLGIITAAT LKLFPKPRAV ETAFVGLQSP DDALKLLGIA QGEAAGNLTS DATA SEQUENCE FELIAETPLD FSVRHANNRD PLEARYPWYV LIELSSPRDD ARAALESILE DATA SEQUENCE RGFEDGIVVD AAIANSVQQQ QAFWKLREEI SPAQKPEGGS IKHDISVPVA DATA SEQUENCE AVPQFIEQAN AAVVALIPGA RPVPFGHLGD GNIHYNVSQP VGADKAEFLA DATA SEQUENCE RWHDVSQVVF EVVLRLGGSI SAEHGIGVXK RDELAEVKDK TAIELXRSIK DATA SEQUENCE ALLDPHGIXN PGKVV 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.726 174.700 0.044 0.000 1.109 11 T CA 0.000 62.125 62.100 0.042 0.000 1.349 11 T CB 0.000 68.895 68.868 0.045 0.000 0.612 12 L N 3.665 124.918 121.223 0.050 0.000 2.290 12 L HA 0.676 5.016 4.340 -0.000 0.000 0.284 12 L C 0.487 177.389 176.870 0.054 0.000 1.078 12 L CA 0.080 54.956 54.840 0.061 0.000 0.815 12 L CB 0.859 42.963 42.059 0.075 0.000 1.162 12 L HN 0.709 nan 8.230 nan 0.000 0.435 13 S N 5.017 120.747 115.700 0.050 0.000 2.572 13 S HA 0.289 4.759 4.470 -0.000 0.000 0.279 13 S C -1.772 172.849 174.600 0.036 0.000 1.341 13 S CA -0.743 57.477 58.200 0.034 0.000 1.043 13 S CB 0.452 63.664 63.200 0.020 0.000 0.887 13 S HN 0.634 nan 8.310 nan 0.000 0.516 14 P HA -0.143 nan 4.420 nan 0.000 0.216 14 P C 1.472 178.779 177.300 0.013 0.000 1.150 14 P CA 1.451 64.564 63.100 0.021 0.000 0.843 14 P CB 0.039 31.747 31.700 0.012 0.000 0.787 15 E N 0.006 120.206 120.200 -0.000 0.000 2.038 15 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 15 E C 1.907 178.482 176.600 -0.043 0.000 1.000 15 E CA 1.368 57.755 56.400 -0.023 0.000 0.803 15 E CB -1.164 28.518 29.700 -0.030 0.000 0.750 15 E HN 0.121 nan 8.360 nan 0.000 0.448 16 L N 0.109 121.314 121.223 -0.030 0.000 2.056 16 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 16 L C 2.594 179.492 176.870 0.047 0.000 1.078 16 L CA 0.969 55.767 54.840 -0.069 0.000 0.749 16 L CB -0.388 41.686 42.059 0.025 0.000 0.901 16 L HN 0.245 nan 8.230 nan 0.000 0.433 17 I N -0.094 120.552 120.570 0.128 0.000 2.226 17 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 17 I C 2.812 178.997 176.117 0.113 0.000 1.100 17 I CA 1.171 62.574 61.300 0.171 0.000 1.374 17 I CB -0.476 37.583 38.000 0.099 0.000 1.057 17 I HN 0.218 nan 8.210 nan 0.000 0.413 18 A N 1.054 123.899 122.820 0.042 0.000 1.877 18 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 18 A C 2.409 179.992 177.584 -0.001 0.000 1.186 18 A CA 1.502 53.549 52.037 0.017 0.000 0.620 18 A CB -0.580 18.417 19.000 -0.004 0.000 0.822 18 A HN 0.312 nan 8.150 nan 0.000 0.443 19 R N -1.770 118.688 120.500 -0.070 0.000 2.096 19 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 19 R C 1.870 178.104 176.300 -0.111 0.000 1.127 19 R CA 1.538 57.556 56.100 -0.137 0.000 0.968 19 R CB -0.477 29.671 30.300 -0.253 0.000 0.861 19 R HN 0.536 nan 8.270 nan 0.000 0.440 20 F N 0.731 120.678 119.950 -0.005 0.000 2.113 20 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 20 F C 2.616 178.414 175.800 -0.003 0.000 1.103 20 F CA 1.343 59.340 58.000 -0.006 0.000 1.248 20 F CB -0.962 38.031 39.000 -0.011 0.000 0.999 20 F HN -0.058 nan 8.300 nan 0.000 0.475 21 T N 0.066 114.734 114.554 0.191 0.000 2.699 21 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 21 T C 2.280 177.025 174.700 0.075 0.000 1.036 21 T CA 1.510 63.673 62.100 0.104 0.000 1.147 21 T CB -0.783 68.125 68.868 0.066 0.000 0.862 21 T HN 0.297 nan 8.240 nan 0.000 0.446 22 A N 0.963 123.815 122.820 0.053 0.000 1.933 22 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 22 A C 2.291 179.901 177.584 0.044 0.000 1.175 22 A CA 1.232 53.289 52.037 0.033 0.000 0.628 22 A CB -0.790 18.215 19.000 0.008 0.000 0.814 22 A HN 0.553 nan 8.150 nan 0.000 0.444 23 I N -0.049 120.557 120.570 0.060 0.000 2.179 23 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 23 I C 2.279 178.438 176.117 0.070 0.000 1.088 23 I CA 1.831 63.170 61.300 0.064 0.000 1.357 23 I CB -0.165 37.892 38.000 0.096 0.000 1.051 23 I HN 0.354 nan 8.210 nan 0.000 0.409 24 V N -2.029 117.939 119.914 0.090 0.000 3.565 24 V HA 0.530 4.650 4.120 -0.000 0.000 0.260 24 V C 0.835 177.032 176.094 0.172 0.000 1.231 24 V CA 0.215 62.576 62.300 0.102 0.000 1.100 24 V CB -0.561 31.318 31.823 0.093 0.000 0.807 24 V HN 0.487 nan 8.190 nan 0.000 0.454 25 G N 2.202 111.076 108.800 0.124 0.000 3.055 25 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 25 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 25 G C 0.054 174.969 174.900 0.024 0.000 1.087 25 G CA 0.092 45.248 45.100 0.094 0.000 0.779 25 G HN 0.585 nan 8.290 nan 0.000 0.599 26 D N 1.554 121.941 120.400 -0.021 0.000 2.182 26 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 26 D C 1.759 177.997 176.300 -0.103 0.000 0.986 26 D CA 1.490 55.466 54.000 -0.039 0.000 0.847 26 D CB -0.018 40.763 40.800 -0.030 0.000 0.942 26 D HN 0.666 nan 8.370 nan 0.000 0.467 27 K N -0.475 119.789 120.400 -0.228 0.000 2.280 27 K HA -0.126 4.194 4.320 -0.000 0.000 0.202 27 K C 0.990 177.350 176.600 -0.399 0.000 1.047 27 K CA 1.059 57.128 56.287 -0.364 0.000 0.942 27 K CB -0.203 31.972 32.500 -0.542 0.000 0.739 27 K HN 0.501 nan 8.250 nan 0.000 0.457 28 H N -1.482 117.586 119.070 -0.003 0.000 2.592 28 H HA 0.329 4.885 4.556 -0.000 0.000 0.279 28 H C -0.535 174.771 175.328 -0.037 0.000 1.089 28 H CA -0.415 55.625 56.048 -0.014 0.000 1.150 28 H CB 0.983 30.739 29.762 -0.009 0.000 1.575 28 H HN 0.023 nan 8.280 nan 0.000 0.547 29 A N 1.924 124.758 122.820 0.023 0.000 2.360 29 A HA 0.442 4.762 4.320 -0.000 0.000 0.309 29 A C -0.691 176.876 177.584 -0.029 0.000 1.311 29 A CA -0.617 51.416 52.037 -0.006 0.000 0.805 29 A CB 0.152 19.165 19.000 0.021 0.000 1.144 29 A HN 0.265 nan 8.150 nan 0.000 0.486 30 L N 2.636 123.820 121.223 -0.064 0.000 2.276 30 L HA 0.504 4.843 4.340 -0.000 0.000 0.286 30 L C 1.229 178.074 176.870 -0.042 0.000 1.061 30 L CA -0.181 54.630 54.840 -0.049 0.000 0.807 30 L CB 1.548 43.570 42.059 -0.061 0.000 1.177 30 L HN 0.851 nan 8.230 nan 0.000 0.429 31 T N -3.726 110.821 114.554 -0.013 0.000 2.986 31 T HA 0.051 4.401 4.350 -0.000 0.000 0.264 31 T C 0.314 175.020 174.700 0.012 0.000 0.964 31 T CA -0.416 61.683 62.100 -0.002 0.000 0.895 31 T CB 0.156 69.027 68.868 0.005 0.000 1.163 31 T HN 0.399 nan 8.240 nan 0.000 0.517 32 D N 3.247 123.657 120.400 0.016 0.000 2.371 32 D HA 0.231 4.871 4.640 -0.000 0.000 0.256 32 D C -1.557 174.763 176.300 0.032 0.000 1.193 32 D CA -2.196 51.818 54.000 0.022 0.000 0.881 32 D CB 1.728 42.541 40.800 0.022 0.000 1.143 32 D HN -0.016 nan 8.370 nan 0.000 0.473 33 P HA -0.129 nan 4.420 nan 0.000 0.217 33 P C 1.572 178.897 177.300 0.043 0.000 1.148 33 P CA 0.945 64.067 63.100 0.037 0.000 0.828 33 P CB 0.218 31.936 31.700 0.029 0.000 0.783 34 L N -0.668 120.577 121.223 0.037 0.000 2.056 34 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 34 L C 2.330 179.232 176.870 0.053 0.000 1.078 34 L CA 1.578 56.440 54.840 0.036 0.000 0.749 34 L CB -0.879 41.196 42.059 0.027 0.000 0.901 34 L HN 0.028 nan 8.230 nan 0.000 0.433 35 E N 0.158 120.398 120.200 0.066 0.000 2.150 35 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 35 E C 2.289 179.000 176.600 0.186 0.000 0.985 35 E CA 0.846 57.311 56.400 0.108 0.000 0.814 35 E CB -0.040 29.715 29.700 0.092 0.000 0.752 35 E HN 0.463 nan 8.360 nan 0.000 0.466 36 L N 0.807 122.116 121.223 0.143 0.000 2.291 36 L HA -0.125 4.215 4.340 -0.000 0.000 0.214 36 L C 2.420 179.396 176.870 0.176 0.000 1.120 36 L CA 0.501 55.450 54.840 0.182 0.000 0.799 36 L CB -0.168 41.944 42.059 0.089 0.000 0.925 36 L HN 0.080 nan 8.230 nan 0.000 0.446 37 E N 1.296 121.557 120.200 0.101 0.000 2.086 37 E HA -0.277 4.073 4.350 -0.000 0.000 0.200 37 E C 2.127 178.736 176.600 0.015 0.000 1.012 37 E CA 1.905 58.336 56.400 0.052 0.000 0.812 37 E CB -0.141 29.576 29.700 0.029 0.000 0.743 37 E HN 0.383 nan 8.360 nan 0.000 0.453 38 A N -1.260 121.535 122.820 -0.041 0.000 2.121 38 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 38 A C 1.549 178.943 177.584 -0.317 0.000 1.154 38 A CA 1.357 53.267 52.037 -0.213 0.000 0.679 38 A CB -0.561 18.230 19.000 -0.349 0.000 0.795 38 A HN 0.457 nan 8.150 nan 0.000 0.458 39 Y N -0.715 119.579 120.300 -0.011 0.000 2.524 39 Y HA 0.194 4.744 4.550 -0.000 0.000 0.270 39 Y C 1.978 177.855 175.900 -0.039 0.000 1.094 39 Y CA 0.422 58.508 58.100 -0.024 0.000 1.276 39 Y CB -0.016 38.427 38.460 -0.028 0.000 1.130 39 Y HN 0.390 nan 8.280 nan 0.000 0.536 40 I N -2.561 118.071 120.570 0.104 0.000 3.578 40 I HA 0.159 4.329 4.170 -0.000 0.000 0.295 40 I C 0.548 176.671 176.117 0.009 0.000 1.280 40 I CA 0.710 62.029 61.300 0.031 0.000 1.347 40 I CB 0.198 38.222 38.000 0.041 0.000 1.051 40 I HN 0.005 nan 8.210 nan 0.000 0.460 41 T N 1.140 115.702 114.554 0.013 0.000 2.906 41 T HA 0.526 4.876 4.350 -0.000 0.000 0.295 41 T C -0.970 173.732 174.700 0.003 0.000 1.075 41 T CA -0.522 61.587 62.100 0.015 0.000 1.005 41 T CB 1.999 70.878 68.868 0.017 0.000 1.136 41 T HN 0.540 nan 8.240 nan 0.000 0.498 42 E N 0.875 121.085 120.200 0.017 0.000 2.316 42 E HA 0.709 5.059 4.350 -0.000 0.000 0.258 42 E C 1.289 177.891 176.600 0.003 0.000 0.952 42 E CA -0.186 56.220 56.400 0.010 0.000 0.818 42 E CB -0.263 29.456 29.700 0.033 0.000 1.260 42 E HN 0.520 nan 8.360 nan 0.000 0.416 43 E N 0.318 120.518 120.200 0.001 0.000 2.048 43 E HA -0.294 4.056 4.350 -0.000 0.000 0.202 43 E C 2.223 178.827 176.600 0.006 0.000 1.021 43 E CA 3.139 59.540 56.400 0.002 0.000 0.825 43 E CB -1.502 28.203 29.700 0.007 0.000 0.756 43 E HN 0.645 nan 8.360 nan 0.000 0.454 44 R N 0.267 120.772 120.500 0.008 0.000 2.328 44 R HA 0.061 4.401 4.340 -0.000 0.000 0.207 44 R C 1.703 177.993 176.300 -0.017 0.000 1.056 44 R CA 1.236 57.339 56.100 0.005 0.000 1.016 44 R CB -1.219 29.085 30.300 0.006 0.000 0.872 44 R HN 0.741 nan 8.270 nan 0.000 0.471 45 N N -1.581 117.109 118.700 -0.015 0.000 2.725 45 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 45 N C 0.521 175.988 175.510 -0.072 0.000 1.103 45 N CA 0.980 54.015 53.050 -0.025 0.000 0.707 45 N CB -1.705 36.771 38.487 -0.018 0.000 1.043 45 N HN 0.573 nan 8.380 nan 0.000 0.553 46 L N -1.525 119.630 121.223 -0.113 0.000 1.993 46 L HA 0.025 4.365 4.340 -0.000 0.000 0.206 46 L C 0.622 177.276 176.870 -0.361 0.000 1.074 46 L CA 1.148 55.803 54.840 -0.309 0.000 0.746 46 L CB -0.277 41.546 42.059 -0.393 0.000 0.896 46 L HN 0.159 nan 8.230 nan 0.000 0.435 47 Y N -1.088 119.214 120.300 0.003 0.000 2.457 47 Y HA 0.530 5.080 4.550 -0.000 0.000 0.333 47 Y C 0.061 175.983 175.900 0.036 0.000 1.119 47 Y CA -0.852 57.279 58.100 0.052 0.000 1.143 47 Y CB 1.220 39.783 38.460 0.172 0.000 1.230 47 Y HN -0.065 nan 8.280 nan 0.000 0.469 48 R N 1.286 121.916 120.500 0.217 0.000 2.435 48 R HA 0.617 4.957 4.340 -0.000 0.000 0.308 48 R C -0.276 176.116 176.300 0.153 0.000 0.975 48 R CA -0.336 55.844 56.100 0.133 0.000 0.867 48 R CB 0.736 31.092 30.300 0.094 0.000 1.171 48 R HN 0.959 nan 8.270 nan 0.000 0.470 49 G N 1.909 110.750 108.800 0.067 0.000 2.702 49 G HA2 0.398 4.358 3.960 -0.000 0.000 0.254 49 G HA3 0.398 4.358 3.960 -0.000 0.000 0.254 49 G C -1.031 173.930 174.900 0.102 0.000 1.380 49 G CA -0.386 44.718 45.100 0.006 0.000 1.042 49 G HN 0.770 nan 8.290 nan 0.000 0.557 50 H N -2.272 116.790 119.070 -0.013 0.000 3.029 50 H HA 0.667 5.223 4.556 -0.000 0.000 0.358 50 H C -1.761 173.559 175.328 -0.013 0.000 1.129 50 H CA -0.672 55.375 56.048 -0.002 0.000 1.230 50 H CB 1.259 31.029 29.762 0.013 0.000 1.827 50 H HN 0.576 nan 8.280 nan 0.000 0.530 51 S N 2.502 118.235 115.700 0.056 0.000 2.540 51 S HA 0.405 4.875 4.470 -0.000 0.000 0.275 51 S C -2.134 172.482 174.600 0.027 0.000 1.123 51 S CA -1.214 56.986 58.200 -0.002 0.000 0.907 51 S CB 1.931 65.102 63.200 -0.049 0.000 1.081 51 S HN 0.641 nan 8.310 nan 0.000 0.476 52 P HA 0.307 nan 4.420 nan 0.000 0.245 52 P C -0.423 176.870 177.300 -0.012 0.000 1.203 52 P CA 0.126 63.236 63.100 0.017 0.000 0.792 52 P CB 0.170 31.888 31.700 0.029 0.000 0.997 53 L N -0.515 120.675 121.223 -0.054 0.000 2.565 53 L HA 0.401 4.741 4.340 -0.000 0.000 0.261 53 L C -1.658 175.112 176.870 -0.166 0.000 0.932 53 L CA -0.901 53.883 54.840 -0.094 0.000 0.878 53 L CB 2.422 44.425 42.059 -0.093 0.000 1.333 53 L HN -0.402 nan 8.230 nan 0.000 0.409 54 V N 5.698 125.490 119.914 -0.203 0.000 2.448 54 V HA 0.570 4.690 4.120 -0.000 0.000 0.295 54 V C -0.320 175.608 176.094 -0.277 0.000 1.025 54 V CA -0.474 61.630 62.300 -0.325 0.000 0.859 54 V CB 1.696 33.160 31.823 -0.597 0.000 0.988 54 V HN 0.622 nan 8.190 nan 0.000 0.431 55 L N 5.536 126.610 121.223 -0.249 0.000 2.329 55 L HA 0.660 5.000 4.340 -0.000 0.000 0.279 55 L C 0.090 176.881 176.870 -0.132 0.000 1.014 55 L CA -0.701 54.046 54.840 -0.155 0.000 0.814 55 L CB 1.965 43.938 42.059 -0.143 0.000 1.257 55 L HN 0.542 nan 8.230 nan 0.000 0.424 56 R N 2.918 123.382 120.500 -0.060 0.000 2.587 56 R HA 0.301 4.641 4.340 -0.000 0.000 0.283 56 R C -2.538 173.726 176.300 -0.059 0.000 1.472 56 R CA -1.627 54.447 56.100 -0.043 0.000 1.578 56 R CB 0.627 30.931 30.300 0.007 0.000 1.130 56 R HN 0.321 nan 8.270 nan 0.000 0.602 57 P HA 0.047 nan 4.420 nan 0.000 0.272 57 P C 0.315 177.557 177.300 -0.097 0.000 1.223 57 P CA -0.015 63.048 63.100 -0.063 0.000 0.784 57 P CB 1.200 32.880 31.700 -0.035 0.000 0.923 58 G N -0.157 108.575 108.800 -0.112 0.000 3.393 58 G HA2 0.319 4.279 3.960 -0.000 0.000 0.255 58 G HA3 0.319 4.279 3.960 -0.000 0.000 0.255 58 G C -0.085 174.774 174.900 -0.068 0.000 1.097 58 G CA 0.003 45.034 45.100 -0.115 0.000 0.780 58 G HN 0.732 nan 8.290 nan 0.000 0.540 59 S N -2.741 112.930 115.700 -0.049 0.000 2.578 59 S HA 0.336 4.806 4.470 -0.000 0.000 0.272 59 S C 0.609 175.192 174.600 -0.029 0.000 1.145 59 S CA 0.077 58.255 58.200 -0.036 0.000 0.835 59 S CB 1.129 64.312 63.200 -0.029 0.000 1.104 59 S HN -0.129 nan 8.310 nan 0.000 0.458 60 T N 1.164 115.701 114.554 -0.028 0.000 2.788 60 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 60 T C 1.537 176.227 174.700 -0.018 0.000 1.044 60 T CA 1.910 63.994 62.100 -0.027 0.000 1.139 60 T CB -0.558 68.292 68.868 -0.032 0.000 0.867 60 T HN 0.787 nan 8.240 nan 0.000 0.454 61 E N 0.889 121.080 120.200 -0.015 0.000 2.118 61 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 61 E C 2.047 178.647 176.600 0.001 0.000 0.992 61 E CA 1.228 57.623 56.400 -0.008 0.000 0.804 61 E CB 0.014 29.709 29.700 -0.008 0.000 0.741 61 E HN 0.595 nan 8.360 nan 0.000 0.458 62 E N -0.365 119.835 120.200 -0.001 0.000 2.107 62 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 62 E C 2.181 178.794 176.600 0.021 0.000 0.982 62 E CA 0.960 57.367 56.400 0.012 0.000 0.809 62 E CB 0.223 29.925 29.700 0.004 0.000 0.756 62 E HN 0.141 nan 8.360 nan 0.000 0.459 63 V N 1.005 120.922 119.914 0.005 0.000 2.343 63 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 63 V C 2.323 178.429 176.094 0.019 0.000 1.051 63 V CA 1.226 63.530 62.300 0.007 0.000 1.036 63 V CB -0.324 31.491 31.823 -0.012 0.000 0.654 63 V HN 0.132 nan 8.190 nan 0.000 0.451 64 V N 0.300 120.221 119.914 0.012 0.000 2.287 64 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 64 V C 2.720 178.834 176.094 0.033 0.000 1.053 64 V CA 2.144 64.454 62.300 0.016 0.000 1.027 64 V CB -1.117 30.709 31.823 0.005 0.000 0.646 64 V HN 0.570 nan 8.190 nan 0.000 0.447 65 A N -0.200 122.641 122.820 0.036 0.000 1.883 65 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 65 A C 2.182 179.817 177.584 0.085 0.000 1.186 65 A CA 2.093 54.156 52.037 0.044 0.000 0.624 65 A CB -0.583 18.439 19.000 0.037 0.000 0.822 65 A HN 0.506 nan 8.150 nan 0.000 0.444 66 I N -0.599 120.046 120.570 0.126 0.000 2.127 66 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 66 I C 2.579 178.832 176.117 0.226 0.000 1.075 66 I CA 1.426 62.871 61.300 0.242 0.000 1.334 66 I CB -0.476 37.615 38.000 0.151 0.000 1.040 66 I HN 0.401 nan 8.210 nan 0.000 0.405 67 C N 0.681 120.053 119.300 0.120 0.000 2.429 67 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 67 C C 2.748 177.799 174.990 0.101 0.000 1.262 67 C CA 0.803 59.881 59.018 0.100 0.000 1.733 67 C CB -0.972 26.803 27.740 0.058 0.000 2.010 67 C HN 0.424 nan 8.230 nan 0.000 0.483 68 K N 0.281 120.726 120.400 0.076 0.000 2.063 68 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 68 K C 1.889 178.520 176.600 0.052 0.000 1.048 68 K CA 1.228 57.549 56.287 0.056 0.000 0.928 68 K CB -0.427 32.092 32.500 0.032 0.000 0.713 68 K HN 0.317 nan 8.250 nan 0.000 0.442 69 L N 1.046 122.295 121.223 0.044 0.000 2.027 69 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 69 L C 2.212 179.114 176.870 0.053 0.000 1.074 69 L CA 1.865 56.686 54.840 -0.032 0.000 0.745 69 L CB -0.792 41.138 42.059 -0.215 0.000 0.898 69 L HN 0.135 nan 8.230 nan 0.000 0.433 70 A N -0.410 122.543 122.820 0.223 0.000 1.883 70 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 70 A C 2.224 179.896 177.584 0.146 0.000 1.186 70 A CA 2.079 54.274 52.037 0.263 0.000 0.624 70 A CB -1.095 18.055 19.000 0.251 0.000 0.822 70 A HN 0.614 nan 8.150 nan 0.000 0.444 71 N N -0.603 118.176 118.700 0.133 0.000 2.120 71 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 71 N C 1.707 177.283 175.510 0.109 0.000 1.024 71 N CA 1.903 55.048 53.050 0.158 0.000 0.852 71 N CB -0.215 38.373 38.487 0.168 0.000 1.003 71 N HN 0.479 nan 8.380 nan 0.000 0.424 72 E N -0.466 119.769 120.200 0.058 0.000 2.107 72 E HA 0.158 4.508 4.350 -0.000 0.000 0.191 72 E C 1.365 177.943 176.600 -0.036 0.000 0.982 72 E CA 1.090 57.490 56.400 0.001 0.000 0.809 72 E CB -0.298 29.402 29.700 -0.000 0.000 0.756 72 E HN 0.421 nan 8.360 nan 0.000 0.459 73 A N -0.042 122.770 122.820 -0.012 0.000 2.251 73 A HA 0.096 4.416 4.320 -0.000 0.000 0.209 73 A C 0.061 177.647 177.584 0.003 0.000 1.187 73 A CA 0.163 52.192 52.037 -0.014 0.000 0.823 73 A CB -0.084 18.908 19.000 -0.014 0.000 0.846 73 A HN 0.124 nan 8.150 nan 0.000 0.486 74 R N -1.586 118.917 120.500 0.006 0.000 3.423 74 R HA -0.124 4.216 4.340 -0.000 0.000 0.271 74 R C -0.737 175.596 176.300 0.054 0.000 1.093 74 R CA 0.761 56.871 56.100 0.016 0.000 0.730 74 R CB -3.086 27.198 30.300 -0.026 0.000 1.190 74 R HN 0.284 nan 8.270 nan 0.000 0.437 75 V N 0.799 120.769 119.914 0.095 0.000 2.383 75 V HA 0.584 4.704 4.120 -0.000 0.000 0.275 75 V C 1.129 177.267 176.094 0.073 0.000 1.036 75 V CA -0.414 61.951 62.300 0.107 0.000 0.889 75 V CB 1.751 33.703 31.823 0.216 0.000 0.985 75 V HN 0.440 nan 8.190 nan 0.000 0.459 76 A N 6.717 129.559 122.820 0.036 0.000 2.425 76 A HA 0.692 5.012 4.320 -0.000 0.000 0.249 76 A C -0.393 177.175 177.584 -0.026 0.000 1.084 76 A CA -0.137 51.908 52.037 0.013 0.000 0.781 76 A CB 0.133 19.137 19.000 0.006 0.000 1.019 76 A HN 0.803 nan 8.150 nan 0.000 0.490 77 L N 2.045 123.252 121.223 -0.027 0.000 2.342 77 L HA 0.624 4.964 4.340 -0.000 0.000 0.271 77 L C -0.877 175.964 176.870 -0.049 0.000 1.008 77 L CA -0.969 53.834 54.840 -0.062 0.000 0.818 77 L CB 2.099 44.127 42.059 -0.052 0.000 1.296 77 L HN 0.378 nan 8.230 nan 0.000 0.427 78 V N 2.434 122.307 119.914 -0.067 0.000 2.357 78 V HA 0.303 4.423 4.120 -0.000 0.000 0.281 78 V C -2.317 173.751 176.094 -0.043 0.000 1.015 78 V CA -1.570 60.700 62.300 -0.051 0.000 0.827 78 V CB 1.556 33.337 31.823 -0.070 0.000 1.018 78 V HN 0.563 nan 8.190 nan 0.000 0.432 79 P HA 0.284 nan 4.420 nan 0.000 0.271 79 P C -0.786 176.515 177.300 0.003 0.000 1.218 79 P CA -0.026 63.068 63.100 -0.010 0.000 0.780 79 P CB 0.582 32.285 31.700 0.006 0.000 0.901 80 Q N 0.810 120.619 119.800 0.014 0.000 2.386 80 Q HA 0.557 4.897 4.340 -0.000 0.000 0.274 80 Q C -0.558 175.472 176.000 0.050 0.000 1.011 80 Q CA -0.650 55.176 55.803 0.039 0.000 0.867 80 Q CB 1.450 30.227 28.738 0.064 0.000 1.409 80 Q HN 0.511 nan 8.270 nan 0.000 0.395 81 G N 0.995 109.825 108.800 0.050 0.000 2.930 81 G HA2 0.303 4.263 3.960 -0.000 0.000 0.209 81 G HA3 0.303 4.263 3.960 -0.000 0.000 0.209 81 G C 0.583 175.513 174.900 0.050 0.000 2.018 81 G CA 0.292 45.421 45.100 0.048 0.000 0.751 81 G HN 0.711 nan 8.290 nan 0.000 0.770 82 G N -0.361 108.461 108.800 0.037 0.000 2.813 82 G HA2 0.101 4.061 3.960 -0.000 0.000 0.209 82 G HA3 0.101 4.061 3.960 -0.000 0.000 0.209 82 G C 0.798 175.703 174.900 0.008 0.000 1.150 82 G CA 0.902 46.015 45.100 0.022 0.000 0.785 82 G HN 0.719 nan 8.290 nan 0.000 0.535 83 N N -0.111 118.601 118.700 0.019 0.000 2.758 83 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 83 N C 1.174 176.688 175.510 0.007 0.000 1.076 83 N CA 1.364 54.420 53.050 0.009 0.000 0.696 83 N CB -1.462 37.011 38.487 -0.023 0.000 0.979 83 N HN 0.446 nan 8.380 nan 0.000 0.550 84 T N -4.000 110.566 114.554 0.021 0.000 3.054 84 T HA 0.383 4.733 4.350 -0.000 0.000 0.255 84 T C 1.103 175.815 174.700 0.021 0.000 1.035 84 T CA 0.219 62.332 62.100 0.021 0.000 0.941 84 T CB 0.243 69.130 68.868 0.031 0.000 1.026 84 T HN 0.451 nan 8.240 nan 0.000 0.533 85 G N 1.234 110.053 108.800 0.032 0.000 2.484 85 G HA2 0.418 4.378 3.960 -0.000 0.000 0.235 85 G HA3 0.418 4.378 3.960 -0.000 0.000 0.235 85 G C 0.295 175.207 174.900 0.020 0.000 1.282 85 G CA -0.435 44.688 45.100 0.037 0.000 0.857 85 G HN 0.509 nan 8.290 nan 0.000 0.571 86 L N 1.616 122.832 121.223 -0.012 0.000 2.857 86 L HA 0.171 4.511 4.340 -0.000 0.000 0.249 86 L C 1.264 178.190 176.870 0.093 0.000 1.172 86 L CA -0.148 54.670 54.840 -0.037 0.000 0.980 86 L CB 0.590 42.459 42.059 -0.317 0.000 1.299 86 L HN 0.515 nan 8.230 nan 0.000 0.535 87 V N -4.916 115.087 119.914 0.149 0.000 3.166 87 V HA 0.552 4.671 4.120 -0.000 0.000 0.332 87 V C 1.090 177.299 176.094 0.191 0.000 1.434 87 V CA 0.202 62.628 62.300 0.209 0.000 1.121 87 V CB 0.184 32.113 31.823 0.176 0.000 1.062 87 V HN 0.306 nan 8.190 nan 0.000 0.489 88 G N 0.435 109.350 108.800 0.192 0.000 2.153 88 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 88 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 88 G C 1.019 175.937 174.900 0.030 0.000 0.994 88 G CA 0.487 45.609 45.100 0.038 0.000 0.698 88 G HN 1.261 nan 8.290 nan 0.000 0.521 89 G N 0.274 109.101 108.800 0.044 0.000 2.402 89 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.216 89 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.216 89 G C 1.566 176.471 174.900 0.010 0.000 1.162 89 G CA 1.636 46.755 45.100 0.033 0.000 0.777 89 G HN 0.937 nan 8.290 nan 0.000 0.539 90 Q N 0.701 120.502 119.800 0.002 0.000 2.360 90 Q HA 0.083 4.423 4.340 -0.000 0.000 0.202 90 Q C -0.133 175.827 176.000 -0.067 0.000 0.915 90 Q CA 0.249 56.043 55.803 -0.014 0.000 0.943 90 Q CB -0.487 28.259 28.738 0.013 0.000 1.064 90 Q HN 0.214 nan 8.270 nan 0.000 0.511 91 T N 5.161 119.626 114.554 -0.149 0.000 2.806 91 T HA 0.364 4.714 4.350 -0.000 0.000 0.290 91 T C -2.670 171.739 174.700 -0.483 0.000 0.966 91 T CA -1.336 60.577 62.100 -0.311 0.000 1.060 91 T CB 1.557 70.174 68.868 -0.419 0.000 0.927 91 T HN 0.170 nan 8.240 nan 0.000 0.485 92 P HA 0.258 nan 4.420 nan 0.000 0.280 92 P C 0.116 177.154 177.300 -0.435 0.000 1.386 92 P CA -0.446 62.463 63.100 -0.318 0.000 0.899 92 P CB 0.344 31.922 31.700 -0.203 0.000 1.098 93 H N 1.852 120.787 119.070 -0.226 0.000 2.539 93 H HA 0.191 4.747 4.556 -0.000 0.000 0.269 93 H C 0.559 175.650 175.328 -0.396 0.000 0.980 93 H CA 0.277 56.168 56.048 -0.261 0.000 1.152 93 H CB 0.456 30.120 29.762 -0.163 0.000 1.407 93 H HN 0.503 nan 8.280 nan 0.000 0.564 94 N N -0.305 118.198 118.700 -0.327 0.000 2.453 94 N HA 0.072 4.812 4.740 -0.000 0.000 0.267 94 N C 0.191 175.630 175.510 -0.118 0.000 1.482 94 N CA 0.493 53.430 53.050 -0.188 0.000 0.841 94 N CB 0.908 39.379 38.487 -0.027 0.000 1.408 94 N HN 0.377 nan 8.380 nan 0.000 0.490 95 G N 1.561 110.236 108.800 -0.209 0.000 2.147 95 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 95 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 95 G C -0.207 174.670 174.900 -0.039 0.000 1.005 95 G CA 0.223 45.317 45.100 -0.010 0.000 0.713 95 G HN 0.486 nan 8.290 nan 0.000 0.515 96 E N -0.846 119.301 120.200 -0.089 0.000 2.349 96 E HA 0.490 4.840 4.350 -0.000 0.000 0.262 96 E C 0.444 176.979 176.600 -0.108 0.000 1.088 96 E CA -0.637 55.713 56.400 -0.083 0.000 0.899 96 E CB 1.589 31.235 29.700 -0.090 0.000 1.044 96 E HN 0.112 nan 8.360 nan 0.000 0.420 97 V N 2.763 122.594 119.914 -0.139 0.000 2.432 97 V HA 0.089 4.209 4.120 -0.000 0.000 0.275 97 V C -0.090 175.887 176.094 -0.196 0.000 1.043 97 V CA -0.607 61.566 62.300 -0.212 0.000 0.925 97 V CB 1.250 32.845 31.823 -0.381 0.000 0.985 97 V HN 0.391 nan 8.190 nan 0.000 0.466 98 V N 6.465 126.267 119.914 -0.186 0.000 2.488 98 V HA 0.270 4.390 4.120 -0.000 0.000 0.277 98 V C 0.205 176.191 176.094 -0.180 0.000 1.046 98 V CA -0.257 61.948 62.300 -0.158 0.000 0.986 98 V CB 1.228 32.964 31.823 -0.146 0.000 0.989 98 V HN 0.562 nan 8.190 nan 0.000 0.475 99 I N 4.481 124.974 120.570 -0.128 0.000 2.361 99 I HA 0.234 4.403 4.170 -0.000 0.000 0.282 99 I C 0.528 176.605 176.117 -0.066 0.000 1.075 99 I CA 0.342 61.574 61.300 -0.112 0.000 1.205 99 I CB 0.879 38.825 38.000 -0.090 0.000 1.406 99 I HN 0.606 nan 8.210 nan 0.000 0.481 100 S N 5.669 121.324 115.700 -0.075 0.000 2.545 100 S HA 0.456 4.926 4.470 -0.000 0.000 0.275 100 S C 0.707 175.305 174.600 -0.003 0.000 1.299 100 S CA -0.318 57.880 58.200 -0.003 0.000 1.048 100 S CB 0.708 63.927 63.200 0.032 0.000 0.938 100 S HN 0.521 nan 8.310 nan 0.000 0.496 101 L N 5.186 126.419 121.223 0.017 0.000 2.769 101 L HA 0.324 4.664 4.340 -0.000 0.000 0.240 101 L C 1.885 178.761 176.870 0.011 0.000 1.163 101 L CA -0.063 54.778 54.840 0.002 0.000 0.962 101 L CB -0.016 42.043 42.059 0.000 0.000 1.258 101 L HN 0.649 nan 8.230 nan 0.000 0.513 102 K N 0.349 120.770 120.400 0.036 0.000 2.152 102 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 102 K C 0.932 177.540 176.600 0.013 0.000 1.048 102 K CA 0.971 57.281 56.287 0.039 0.000 0.933 102 K CB 0.006 32.553 32.500 0.079 0.000 0.721 102 K HN 0.355 nan 8.250 nan 0.000 0.447 106 K N 0.918 121.298 120.400 -0.033 0.000 2.298 106 K HA 0.467 4.787 4.320 -0.000 0.000 0.280 106 K C 0.027 176.602 176.600 -0.043 0.000 1.032 106 K CA -0.517 55.749 56.287 -0.034 0.000 0.958 106 K CB 0.374 32.854 32.500 -0.033 0.000 0.978 106 K HN 0.245 nan 8.250 nan 0.000 0.472 107 I N 5.904 126.447 120.570 -0.044 0.000 2.312 107 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 107 I C 1.524 177.613 176.117 -0.047 0.000 1.031 107 I CA 0.098 61.364 61.300 -0.056 0.000 1.293 107 I CB 0.948 38.913 38.000 -0.058 0.000 1.403 107 I HN 0.757 nan 8.210 nan 0.000 0.484 108 R N 3.525 123.995 120.500 -0.050 0.000 2.057 108 R HA 0.108 4.448 4.340 -0.000 0.000 0.224 108 R C 0.426 176.703 176.300 -0.038 0.000 1.136 108 R CA 0.689 56.764 56.100 -0.041 0.000 0.968 108 R CB 0.435 30.712 30.300 -0.039 0.000 0.863 108 R HN 0.637 nan 8.270 nan 0.000 0.433 109 E N 0.388 120.562 120.200 -0.044 0.000 2.321 109 E HA 0.329 4.679 4.350 -0.000 0.000 0.278 109 E C -1.505 175.068 176.600 -0.045 0.000 0.902 109 E CA -0.441 55.936 56.400 -0.039 0.000 0.758 109 E CB 1.760 31.440 29.700 -0.034 0.000 1.213 109 E HN 0.017 nan 8.360 nan 0.000 0.426 110 I N 3.358 123.905 120.570 -0.038 0.000 2.410 110 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 110 I C -0.892 175.208 176.117 -0.029 0.000 1.009 110 I CA -0.761 60.516 61.300 -0.038 0.000 1.111 110 I CB 1.607 39.586 38.000 -0.034 0.000 1.262 110 I HN 0.403 nan 8.210 nan 0.000 0.443 111 D N 5.017 125.399 120.400 -0.030 0.000 2.460 111 D HA 0.132 4.772 4.640 -0.000 0.000 0.232 111 D C 1.154 177.440 176.300 -0.023 0.000 1.079 111 D CA -0.350 53.635 54.000 -0.025 0.000 0.864 111 D CB 1.438 42.222 40.800 -0.026 0.000 1.048 111 D HN 0.648 nan 8.370 nan 0.000 0.523 112 T N -0.104 114.440 114.554 -0.017 0.000 3.072 112 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 112 T C 1.522 176.213 174.700 -0.014 0.000 1.127 112 T CA 0.505 62.597 62.100 -0.012 0.000 1.107 112 T CB 0.212 69.077 68.868 -0.005 0.000 0.910 112 T HN 0.108 nan 8.240 nan 0.000 0.513 113 S N 1.303 116.994 115.700 -0.016 0.000 2.412 113 S HA 0.087 4.557 4.470 -0.000 0.000 0.223 113 S C 2.251 176.837 174.600 -0.023 0.000 1.048 113 S CA 0.583 58.774 58.200 -0.016 0.000 0.954 113 S CB -0.143 63.050 63.200 -0.012 0.000 0.840 113 S HN 0.557 nan 8.310 nan 0.000 0.503 114 S N 1.806 117.490 115.700 -0.027 0.000 2.527 114 S HA 0.119 4.589 4.470 -0.000 0.000 0.222 114 S C 0.170 174.741 174.600 -0.050 0.000 0.985 114 S CA -0.026 58.154 58.200 -0.034 0.000 0.921 114 S CB -0.210 62.972 63.200 -0.030 0.000 0.772 114 S HN 0.459 nan 8.310 nan 0.000 0.529 115 N N 2.481 121.152 118.700 -0.049 0.000 2.648 115 N HA -0.119 4.621 4.740 -0.000 0.000 0.265 115 N C -0.469 174.997 175.510 -0.072 0.000 1.100 115 N CA 1.329 54.340 53.050 -0.065 0.000 0.715 115 N CB -1.358 37.070 38.487 -0.099 0.000 0.881 115 N HN 0.685 nan 8.380 nan 0.000 0.548 116 T N -2.161 112.363 114.554 -0.050 0.000 2.883 116 T HA 0.796 5.146 4.350 -0.000 0.000 0.301 116 T C -0.188 174.482 174.700 -0.050 0.000 1.158 116 T CA -0.913 61.159 62.100 -0.047 0.000 1.007 116 T CB 3.011 71.854 68.868 -0.041 0.000 1.186 116 T HN 0.240 nan 8.240 nan 0.000 0.499 117 I N 1.291 121.820 120.570 -0.068 0.000 2.586 117 I HA 0.477 4.647 4.170 -0.000 0.000 0.288 117 I C -1.196 174.859 176.117 -0.104 0.000 1.147 117 I CA -0.404 60.838 61.300 -0.096 0.000 1.047 117 I CB 2.010 39.921 38.000 -0.148 0.000 1.244 117 I HN 0.839 nan 8.210 nan 0.000 0.429 118 T N 7.084 121.589 114.554 -0.082 0.000 2.799 118 T HA 0.622 4.972 4.350 -0.000 0.000 0.286 118 T C -0.460 174.191 174.700 -0.082 0.000 0.973 118 T CA -0.424 61.632 62.100 -0.072 0.000 1.035 118 T CB 1.332 70.169 68.868 -0.051 0.000 0.932 118 T HN 0.488 nan 8.240 nan 0.000 0.469 119 V N 0.627 120.491 119.914 -0.084 0.000 3.114 119 V HA 0.649 4.769 4.120 -0.000 0.000 0.308 119 V C -0.654 175.403 176.094 -0.061 0.000 1.168 119 V CA -1.322 60.929 62.300 -0.082 0.000 1.015 119 V CB 2.026 33.780 31.823 -0.115 0.000 1.050 119 V HN 0.789 nan 8.190 nan 0.000 0.433 120 E N 1.357 121.526 120.200 -0.052 0.000 2.343 120 E HA 0.528 4.878 4.350 -0.000 0.000 0.269 120 E C 1.226 177.805 176.600 -0.034 0.000 1.047 120 E CA -0.015 56.360 56.400 -0.041 0.000 0.874 120 E CB 1.911 31.588 29.700 -0.038 0.000 1.033 120 E HN 0.976 nan 8.360 nan 0.000 0.409 121 A N 2.920 125.724 122.820 -0.026 0.000 1.986 121 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 121 A C 1.948 179.529 177.584 -0.005 0.000 1.171 121 A CA 1.944 53.973 52.037 -0.013 0.000 0.640 121 A CB -0.724 18.269 19.000 -0.010 0.000 0.811 121 A HN 0.747 nan 8.150 nan 0.000 0.451 122 G N -0.994 107.801 108.800 -0.009 0.000 2.848 122 G HA2 0.351 4.311 3.960 -0.000 0.000 0.208 122 G HA3 0.351 4.311 3.960 -0.000 0.000 0.208 122 G C 0.655 175.553 174.900 -0.003 0.000 1.152 122 G CA 0.510 45.609 45.100 -0.001 0.000 0.789 122 G HN 0.839 nan 8.290 nan 0.000 0.531 123 A N 1.220 124.031 122.820 -0.015 0.000 2.524 123 A HA 0.418 4.738 4.320 -0.000 0.000 0.250 123 A C 0.462 178.042 177.584 -0.005 0.000 1.078 123 A CA -0.258 51.767 52.037 -0.021 0.000 0.761 123 A CB 0.162 19.134 19.000 -0.046 0.000 1.012 123 A HN 0.148 nan 8.150 nan 0.000 0.500 124 I N 4.172 124.742 120.570 0.001 0.000 2.618 124 I HA -0.078 4.092 4.170 -0.000 0.000 0.284 124 I C 1.609 177.741 176.117 0.024 0.000 1.146 124 I CA -0.083 61.227 61.300 0.016 0.000 1.425 124 I CB 0.251 38.261 38.000 0.015 0.000 1.383 124 I HN 0.837 nan 8.210 nan 0.000 0.562 125 L N 6.620 127.873 121.223 0.051 0.000 1.997 125 L HA -0.271 4.069 4.340 -0.000 0.000 0.216 125 L C 2.391 179.314 176.870 0.088 0.000 1.074 125 L CA 2.079 56.976 54.840 0.094 0.000 0.763 125 L CB -0.885 41.247 42.059 0.122 0.000 0.890 125 L HN 0.825 nan 8.230 nan 0.000 0.434 126 Q N -0.728 119.108 119.800 0.059 0.000 2.135 126 Q HA -0.291 4.049 4.340 -0.000 0.000 0.204 126 Q C 2.474 178.494 176.000 0.034 0.000 0.981 126 Q CA 2.028 57.858 55.803 0.045 0.000 0.856 126 Q CB -0.198 28.556 28.738 0.028 0.000 0.902 126 Q HN 0.582 nan 8.270 nan 0.000 0.425 127 R N -0.646 119.866 120.500 0.020 0.000 2.115 127 R HA -0.071 4.269 4.340 -0.000 0.000 0.226 127 R C 2.057 178.353 176.300 -0.006 0.000 1.100 127 R CA 1.054 57.157 56.100 0.005 0.000 0.980 127 R CB 0.087 30.385 30.300 -0.003 0.000 0.875 127 R HN 0.173 nan 8.270 nan 0.000 0.445 128 V N 1.075 120.980 119.914 -0.015 0.000 2.427 128 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 128 V C 2.160 178.253 176.094 -0.002 0.000 1.051 128 V CA 1.734 63.992 62.300 -0.070 0.000 1.048 128 V CB -0.419 31.287 31.823 -0.195 0.000 0.666 128 V HN 0.430 nan 8.190 nan 0.000 0.456 129 Q N -0.167 119.686 119.800 0.088 0.000 2.050 129 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 129 Q C 2.278 178.313 176.000 0.057 0.000 0.980 129 Q CA 1.889 57.765 55.803 0.121 0.000 0.840 129 Q CB -0.202 28.596 28.738 0.099 0.000 0.898 129 Q HN 0.693 nan 8.270 nan 0.000 0.424 130 E N 0.400 120.618 120.200 0.031 0.000 2.110 130 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 130 E C 1.952 178.558 176.600 0.010 0.000 0.988 130 E CA 0.690 57.100 56.400 0.016 0.000 0.804 130 E CB 0.134 29.839 29.700 0.010 0.000 0.745 130 E HN 0.107 nan 8.360 nan 0.000 0.458 131 K N 0.350 120.751 120.400 0.001 0.000 2.097 131 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 131 K C 2.044 178.643 176.600 -0.001 0.000 1.050 131 K CA 0.983 57.265 56.287 -0.009 0.000 0.938 131 K CB -0.214 32.268 32.500 -0.030 0.000 0.718 131 K HN 0.084 nan 8.250 nan 0.000 0.442 132 A N 1.344 124.172 122.820 0.013 0.000 1.930 132 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 132 A C 2.384 179.989 177.584 0.035 0.000 1.175 132 A CA 1.793 53.850 52.037 0.035 0.000 0.627 132 A CB -0.495 18.558 19.000 0.089 0.000 0.815 132 A HN 0.270 nan 8.150 nan 0.000 0.443 133 A N 0.016 122.855 122.820 0.032 0.000 1.933 133 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 133 A C 1.854 179.448 177.584 0.017 0.000 1.175 133 A CA 1.659 53.710 52.037 0.024 0.000 0.628 133 A CB -0.532 18.479 19.000 0.018 0.000 0.814 133 A HN 0.641 nan 8.150 nan 0.000 0.444 134 E N -0.405 119.803 120.200 0.012 0.000 2.265 134 E HA -0.089 4.261 4.350 -0.000 0.000 0.196 134 E C 1.202 177.807 176.600 0.008 0.000 0.996 134 E CA 1.287 57.692 56.400 0.008 0.000 0.832 134 E CB -0.142 29.560 29.700 0.003 0.000 0.756 134 E HN 0.639 nan 8.360 nan 0.000 0.491 135 V N -1.842 118.078 119.914 0.010 0.000 3.099 135 V HA 0.199 4.319 4.120 -0.000 0.000 0.356 135 V C -0.160 175.944 176.094 0.016 0.000 1.364 135 V CA -0.010 62.296 62.300 0.009 0.000 1.229 135 V CB -0.132 31.693 31.823 0.004 0.000 1.227 135 V HN 0.061 nan 8.190 nan 0.000 0.493 136 D N 1.019 121.430 120.400 0.019 0.000 2.746 136 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 136 D C 0.226 176.547 176.300 0.035 0.000 1.129 136 D CA 0.882 54.897 54.000 0.025 0.000 0.691 136 D CB -0.321 40.492 40.800 0.022 0.000 1.077 136 D HN 0.615 nan 8.370 nan 0.000 0.432 137 R N -0.449 120.076 120.500 0.041 0.000 2.888 137 R HA 0.805 5.145 4.340 -0.000 0.000 0.264 137 R C -0.778 175.567 176.300 0.074 0.000 1.045 137 R CA -1.061 55.076 56.100 0.063 0.000 0.962 137 R CB 0.950 31.287 30.300 0.061 0.000 1.210 137 R HN 0.155 nan 8.270 nan 0.000 0.479 138 L N 1.052 122.339 121.223 0.106 0.000 2.381 138 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 138 L C -1.459 175.504 176.870 0.156 0.000 0.988 138 L CA -0.546 54.338 54.840 0.074 0.000 0.824 138 L CB 1.375 43.426 42.059 -0.013 0.000 1.263 138 L HN 0.478 nan 8.230 nan 0.000 0.410 139 F N 8.331 128.261 119.950 -0.033 0.000 2.313 139 F HA 0.594 5.121 4.527 -0.000 0.000 0.369 139 F C -1.670 174.034 175.800 -0.159 0.000 1.109 139 F CA -2.360 55.626 58.000 -0.022 0.000 1.132 139 F CB 1.053 40.051 39.000 -0.004 0.000 1.291 139 F HN 0.510 nan 8.300 nan 0.000 0.496 140 P HA -0.091 nan 4.420 nan 0.000 0.229 140 P C 0.462 177.343 177.300 -0.698 0.000 1.160 140 P CA 0.410 62.954 63.100 -0.927 0.000 0.777 140 P CB 0.295 30.952 31.700 -1.739 0.000 0.814 141 L N 0.716 121.429 121.223 -0.851 0.000 2.534 141 L HA 0.197 4.537 4.340 -0.000 0.000 0.271 141 L C 0.101 176.814 176.870 -0.262 0.000 1.178 141 L CA 0.612 55.164 54.840 -0.479 0.000 0.907 141 L CB -0.244 41.553 42.059 -0.437 0.000 1.164 141 L HN -0.122 nan 8.230 nan 0.000 0.482 142 S N 5.648 121.251 115.700 -0.162 0.000 2.619 142 S HA 0.836 5.306 4.470 -0.000 0.000 0.280 142 S C -1.049 173.524 174.600 -0.046 0.000 1.150 142 S CA -0.676 57.464 58.200 -0.099 0.000 0.978 142 S CB 0.686 63.803 63.200 -0.138 0.000 1.041 142 S HN 0.689 nan 8.310 nan 0.000 0.485 143 L N 2.323 123.546 121.223 -0.000 0.000 2.502 143 L HA 0.896 5.236 4.340 -0.000 0.000 0.253 143 L C 1.120 178.027 176.870 0.063 0.000 1.070 143 L CA -0.641 54.228 54.840 0.049 0.000 0.871 143 L CB 0.171 42.278 42.059 0.079 0.000 1.487 143 L HN 0.578 nan 8.230 nan 0.000 0.408 144 G N -0.372 108.488 108.800 0.101 0.000 2.450 144 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.220 144 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.220 144 G C 1.036 175.981 174.900 0.075 0.000 1.130 144 G CA 1.008 46.165 45.100 0.095 0.000 0.760 144 G HN 1.019 nan 8.290 nan 0.000 0.557 145 A N -0.348 122.518 122.820 0.078 0.000 2.251 145 A HA 0.236 4.556 4.320 -0.000 0.000 0.209 145 A C 1.969 179.583 177.584 0.050 0.000 1.187 145 A CA 1.063 53.137 52.037 0.061 0.000 0.823 145 A CB -0.210 18.829 19.000 0.064 0.000 0.846 145 A HN 0.409 nan 8.150 nan 0.000 0.486 146 Q N -0.459 119.371 119.800 0.049 0.000 2.160 146 Q HA -0.320 4.020 4.340 -0.000 0.000 0.219 146 Q C 1.899 177.921 176.000 0.038 0.000 1.051 146 Q CA 2.067 57.896 55.803 0.043 0.000 0.929 146 Q CB -0.710 28.046 28.738 0.030 0.000 1.059 146 Q HN 0.700 nan 8.270 nan 0.000 0.428 147 G N -1.795 107.023 108.800 0.030 0.000 2.625 147 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.214 147 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.214 147 G C 1.042 175.954 174.900 0.021 0.000 1.132 147 G CA 1.074 46.188 45.100 0.023 0.000 0.782 147 G HN 0.287 nan 8.290 nan 0.000 0.538 148 S N -1.190 114.525 115.700 0.025 0.000 2.818 148 S HA 0.040 4.510 4.470 -0.000 0.000 0.251 148 S C 1.334 175.950 174.600 0.027 0.000 1.083 148 S CA 0.132 58.344 58.200 0.019 0.000 0.871 148 S CB -0.137 63.071 63.200 0.014 0.000 0.831 148 S HN 0.652 nan 8.310 nan 0.000 0.470 149 C N 4.254 123.577 119.300 0.038 0.000 2.689 149 C HA 0.659 5.119 4.460 -0.000 0.000 0.409 149 C C 0.947 175.966 174.990 0.049 0.000 1.293 149 C CA -0.650 58.396 59.018 0.047 0.000 2.136 149 C CB -0.511 27.266 27.740 0.062 0.000 2.719 149 C HN 0.533 nan 8.230 nan 0.000 0.644 150 T N 0.960 115.544 114.554 0.049 0.000 2.940 150 T HA 0.476 4.826 4.350 -0.000 0.000 0.288 150 T C 1.047 175.780 174.700 0.055 0.000 1.033 150 T CA -0.836 61.290 62.100 0.043 0.000 1.033 150 T CB 0.898 69.786 68.868 0.033 0.000 1.079 150 T HN 0.562 nan 8.240 nan 0.000 0.496 151 I N 1.533 122.129 120.570 0.044 0.000 2.264 151 I HA -0.049 4.121 4.170 -0.000 0.000 0.248 151 I C 2.715 178.864 176.117 0.055 0.000 1.111 151 I CA 1.889 63.222 61.300 0.056 0.000 1.382 151 I CB -1.859 36.148 38.000 0.011 0.000 1.060 151 I HN 0.984 nan 8.210 nan 0.000 0.418 152 G N 0.591 109.413 108.800 0.036 0.000 2.418 152 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 152 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 152 G C 1.744 176.675 174.900 0.052 0.000 1.158 152 G CA 0.861 45.983 45.100 0.036 0.000 0.771 152 G HN 0.474 nan 8.290 nan 0.000 0.545 153 G N 0.872 109.704 108.800 0.054 0.000 2.404 153 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 153 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 153 G C 1.662 176.607 174.900 0.076 0.000 1.174 153 G CA 1.038 46.175 45.100 0.062 0.000 0.780 153 G HN 0.563 nan 8.290 nan 0.000 0.537 154 N N 0.181 118.931 118.700 0.084 0.000 2.149 154 N HA -0.051 4.689 4.740 -0.000 0.000 0.188 154 N C 2.179 177.746 175.510 0.095 0.000 1.019 154 N CA 0.752 53.860 53.050 0.096 0.000 0.857 154 N CB -0.168 38.388 38.487 0.115 0.000 0.997 154 N HN 0.260 nan 8.380 nan 0.000 0.426 155 L N 0.181 121.460 121.223 0.093 0.000 2.072 155 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 155 L C 2.264 179.188 176.870 0.090 0.000 1.079 155 L CA 0.802 55.698 54.840 0.093 0.000 0.752 155 L CB -0.308 41.804 42.059 0.089 0.000 0.906 155 L HN 0.114 nan 8.230 nan 0.000 0.436 156 S N -0.707 115.044 115.700 0.085 0.000 2.399 156 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 156 S C 1.923 176.570 174.600 0.078 0.000 1.022 156 S CA 1.818 60.069 58.200 0.085 0.000 0.983 156 S CB -0.317 62.928 63.200 0.076 0.000 0.803 156 S HN 0.646 nan 8.310 nan 0.000 0.480 157 T N -1.401 113.201 114.554 0.080 0.000 3.060 157 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 157 T C 0.540 175.286 174.700 0.077 0.000 1.079 157 T CA 0.312 62.462 62.100 0.083 0.000 1.013 157 T CB -0.409 68.520 68.868 0.102 0.000 0.975 157 T HN 0.233 nan 8.240 nan 0.000 0.518 158 N N 1.486 120.231 118.700 0.074 0.000 2.714 158 N HA -0.151 4.589 4.740 -0.000 0.000 0.253 158 N C -0.039 175.510 175.510 0.064 0.000 1.024 158 N CA 0.541 53.630 53.050 0.065 0.000 0.726 158 N CB -1.554 36.962 38.487 0.050 0.000 0.908 158 N HN 0.929 nan 8.380 nan 0.000 0.542 159 A N 0.058 122.924 122.820 0.077 0.000 2.483 159 A HA 0.603 4.923 4.320 -0.000 0.000 0.238 159 A C 1.099 178.715 177.584 0.054 0.000 1.070 159 A CA 0.676 52.762 52.037 0.081 0.000 0.770 159 A CB 0.465 19.521 19.000 0.095 0.000 1.008 159 A HN 0.895 nan 8.150 nan 0.000 0.497 160 G N -0.611 108.219 108.800 0.050 0.000 2.696 160 G HA2 0.666 4.626 3.960 -0.000 0.000 0.295 160 G HA3 0.666 4.626 3.960 -0.000 0.000 0.295 160 G C -0.309 174.596 174.900 0.009 0.000 1.398 160 G CA 0.104 45.212 45.100 0.014 0.000 0.920 160 G HN 1.321 nan 8.290 nan 0.000 0.492 161 G N -0.972 107.793 108.800 -0.057 0.000 3.251 161 G HA2 0.490 4.450 3.960 -0.000 0.000 0.248 161 G HA3 0.490 4.450 3.960 -0.000 0.000 0.248 161 G C 0.953 175.645 174.900 -0.346 0.000 1.320 161 G CA 0.604 45.637 45.100 -0.113 0.000 0.982 161 G HN 0.560 nan 8.290 nan 0.000 0.575 162 T N 1.058 115.409 114.554 -0.337 0.000 2.720 162 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 162 T C 2.396 176.999 174.700 -0.162 0.000 1.037 162 T CA 2.098 63.989 62.100 -0.349 0.000 1.144 162 T CB -0.359 68.509 68.868 0.001 0.000 0.864 162 T HN 0.653 nan 8.240 nan 0.000 0.444 163 A N 0.694 123.463 122.820 -0.085 0.000 2.238 163 A HA 0.566 4.886 4.320 -0.000 0.000 0.208 163 A C 2.402 179.964 177.584 -0.037 0.000 1.177 163 A CA 0.987 53.017 52.037 -0.010 0.000 0.804 163 A CB -0.696 18.376 19.000 0.120 0.000 0.823 163 A HN 0.455 nan 8.150 nan 0.000 0.482 164 A N 1.041 123.816 122.820 -0.075 0.000 1.958 164 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 164 A C 2.104 179.647 177.584 -0.068 0.000 1.178 164 A CA 1.674 53.675 52.037 -0.059 0.000 0.642 164 A CB -0.880 18.082 19.000 -0.064 0.000 0.816 164 A HN 1.145 nan 8.150 nan 0.000 0.453 165 L N -3.499 117.683 121.223 -0.069 0.000 2.261 165 L HA -0.042 4.298 4.340 -0.000 0.000 0.216 165 L C 2.185 178.972 176.870 -0.138 0.000 1.114 165 L CA 1.743 56.538 54.840 -0.075 0.000 0.777 165 L CB -0.570 41.462 42.059 -0.044 0.000 0.910 165 L HN 0.274 nan 8.230 nan 0.000 0.440 166 A N -0.930 121.744 122.820 -0.243 0.000 1.944 166 A HA 0.122 4.442 4.320 -0.000 0.000 0.207 166 A C 1.560 178.852 177.584 -0.487 0.000 1.265 166 A CA 0.374 52.141 52.037 -0.451 0.000 0.712 166 A CB -0.373 18.162 19.000 -0.775 0.000 0.915 166 A HN 0.468 nan 8.150 nan 0.000 0.470 167 Y N -0.395 119.794 120.300 -0.185 0.000 2.444 167 Y HA 0.435 4.985 4.550 -0.000 0.000 0.249 167 Y C 1.550 177.354 175.900 -0.161 0.000 1.134 167 Y CA -0.081 57.851 58.100 -0.280 0.000 1.261 167 Y CB -0.005 38.160 38.460 -0.492 0.000 1.143 167 Y HN 0.539 nan 8.280 nan 0.000 0.523 168 G N 0.556 109.365 108.800 0.014 0.000 2.660 168 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 168 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 168 G C -0.615 174.288 174.900 0.005 0.000 1.345 168 G CA -0.451 44.659 45.100 0.016 0.000 0.877 168 G HN 0.135 nan 8.290 nan 0.000 0.549 169 L N -0.168 121.064 121.223 0.016 0.000 2.544 169 L HA 0.662 5.002 4.340 -0.000 0.000 0.256 169 L C 2.445 179.333 176.870 0.030 0.000 1.097 169 L CA -0.325 54.523 54.840 0.014 0.000 0.812 169 L CB 0.555 42.627 42.059 0.022 0.000 1.440 169 L HN 1.125 nan 8.230 nan 0.000 0.496 170 A N -0.067 122.779 122.820 0.043 0.000 1.940 170 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 170 A C 2.299 179.941 177.584 0.097 0.000 1.176 170 A CA 1.958 54.043 52.037 0.080 0.000 0.631 170 A CB -0.714 18.342 19.000 0.093 0.000 0.814 170 A HN 0.830 nan 8.150 nan 0.000 0.446 171 R N 0.100 120.647 120.500 0.078 0.000 2.103 171 R HA -0.132 4.208 4.340 -0.000 0.000 0.242 171 R C 0.170 176.523 176.300 0.088 0.000 1.142 171 R CA 1.595 57.742 56.100 0.078 0.000 0.960 171 R CB -0.320 30.015 30.300 0.058 0.000 0.858 171 R HN 0.546 nan 8.270 nan 0.000 0.439 175 L N 1.391 122.650 121.223 0.060 0.000 2.609 175 L HA 0.533 4.873 4.340 -0.000 0.000 0.230 175 L C 1.109 177.998 176.870 0.031 0.000 1.087 175 L CA 0.757 55.619 54.840 0.038 0.000 0.874 175 L CB 0.845 42.916 42.059 0.019 0.000 1.114 175 L HN 1.001 nan 8.230 nan 0.000 0.488 176 G N -0.127 108.692 108.800 0.031 0.000 2.547 176 G HA2 0.514 4.474 3.960 -0.000 0.000 0.291 176 G HA3 0.514 4.474 3.960 -0.000 0.000 0.291 176 G C -1.803 173.106 174.900 0.016 0.000 1.471 176 G CA -0.123 44.990 45.100 0.022 0.000 0.798 176 G HN -0.167 nan 8.290 nan 0.000 0.504 177 V N -2.511 117.404 119.914 0.002 0.000 3.147 177 V HA 0.911 5.031 4.120 -0.000 0.000 0.306 177 V C -0.960 175.096 176.094 -0.064 0.000 1.209 177 V CA -1.059 61.226 62.300 -0.025 0.000 1.023 177 V CB 1.983 33.795 31.823 -0.019 0.000 1.059 177 V HN 1.012 nan 8.190 nan 0.000 0.435 178 E N 1.319 121.467 120.200 -0.086 0.000 2.191 178 E HA 0.733 5.083 4.350 -0.000 0.000 0.263 178 E C -1.724 174.779 176.600 -0.162 0.000 0.881 178 E CA -0.624 55.711 56.400 -0.109 0.000 0.757 178 E CB 2.167 31.823 29.700 -0.075 0.000 1.147 178 E HN 0.773 nan 8.360 nan 0.000 0.414 179 V N 3.763 123.531 119.914 -0.242 0.000 2.735 179 V HA 0.411 4.531 4.120 -0.000 0.000 0.310 179 V C -0.438 175.527 176.094 -0.215 0.000 1.061 179 V CA -0.968 61.145 62.300 -0.312 0.000 0.913 179 V CB 1.951 33.348 31.823 -0.711 0.000 1.005 179 V HN 0.500 nan 8.190 nan 0.000 0.428 180 V N 5.120 124.948 119.914 -0.145 0.000 2.347 180 V HA 0.429 4.549 4.120 -0.000 0.000 0.280 180 V C 0.127 176.188 176.094 -0.054 0.000 1.021 180 V CA -0.366 61.886 62.300 -0.079 0.000 0.847 180 V CB 1.287 33.084 31.823 -0.044 0.000 0.990 180 V HN 0.631 nan 8.190 nan 0.000 0.444 181 L N 3.378 124.585 121.223 -0.028 0.000 2.475 181 L HA 0.386 4.726 4.340 -0.000 0.000 0.253 181 L C 1.984 178.872 176.870 0.030 0.000 1.198 181 L CA -0.043 54.811 54.840 0.023 0.000 0.814 181 L CB 0.341 42.427 42.059 0.045 0.000 1.134 181 L HN 0.704 nan 8.230 nan 0.000 0.478 182 A N 0.925 123.771 122.820 0.044 0.000 1.948 182 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 182 A C 1.539 179.152 177.584 0.048 0.000 1.177 182 A CA 2.026 54.090 52.037 0.046 0.000 0.636 182 A CB -0.771 18.253 19.000 0.041 0.000 0.815 182 A HN 0.953 nan 8.150 nan 0.000 0.449 183 D N -2.627 117.793 120.400 0.033 0.000 2.336 183 D HA 0.313 4.953 4.640 -0.000 0.000 0.229 183 D C 1.117 177.437 176.300 0.034 0.000 1.061 183 D CA 0.953 54.975 54.000 0.037 0.000 0.875 183 D CB -0.466 40.345 40.800 0.019 0.000 0.904 183 D HN 0.811 nan 8.370 nan 0.000 0.525 184 G N 0.007 108.824 108.800 0.028 0.000 2.175 184 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 184 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 184 G C 0.312 175.216 174.900 0.007 0.000 0.982 184 G CA -0.188 44.924 45.100 0.020 0.000 0.641 184 G HN 0.441 nan 8.290 nan 0.000 0.527 185 R N 0.031 120.534 120.500 0.006 0.000 2.543 185 R HA 0.505 4.845 4.340 -0.000 0.000 0.277 185 R C 0.583 176.872 176.300 -0.018 0.000 1.074 185 R CA -0.008 56.091 56.100 -0.002 0.000 1.076 185 R CB 1.109 31.412 30.300 0.006 0.000 0.993 185 R HN 0.125 nan 8.270 nan 0.000 0.459 189 L N 2.922 124.127 121.223 -0.030 0.000 2.928 189 L HA 0.393 4.733 4.340 -0.000 0.000 0.246 189 L C 0.411 177.275 176.870 -0.009 0.000 1.239 189 L CA -0.225 54.609 54.840 -0.009 0.000 1.035 189 L CB 0.168 42.233 42.059 0.010 0.000 1.360 189 L HN 0.326 nan 8.230 nan 0.000 0.529 190 L N 0.502 121.714 121.223 -0.018 0.000 2.513 190 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 190 L C 0.534 177.397 176.870 -0.012 0.000 1.187 190 L CA 0.664 55.493 54.840 -0.017 0.000 0.895 190 L CB 0.703 42.748 42.059 -0.024 0.000 1.147 190 L HN 0.187 nan 8.230 nan 0.000 0.483 191 S N 2.358 118.054 115.700 -0.008 0.000 2.537 191 S HA 0.353 4.823 4.470 -0.000 0.000 0.270 191 S C -0.006 174.589 174.600 -0.009 0.000 1.142 191 S CA -0.844 57.352 58.200 -0.007 0.000 0.870 191 S CB 1.709 64.909 63.200 -0.000 0.000 1.112 191 S HN 0.663 nan 8.310 nan 0.000 0.466 192 K N 2.382 122.775 120.400 -0.012 0.000 2.374 192 K HA 0.319 4.639 4.320 -0.000 0.000 0.196 192 K C -0.114 176.477 176.600 -0.015 0.000 1.023 192 K CA 0.052 56.329 56.287 -0.016 0.000 1.103 192 K CB -0.020 32.468 32.500 -0.020 0.000 0.848 192 K HN 0.511 nan 8.250 nan 0.000 0.528 193 L N 1.472 122.690 121.223 -0.009 0.000 2.397 193 L HA 0.114 4.454 4.340 -0.000 0.000 0.271 193 L C 1.259 178.127 176.870 -0.004 0.000 1.148 193 L CA -0.257 54.579 54.840 -0.007 0.000 0.825 193 L CB 0.580 42.638 42.059 -0.002 0.000 1.117 193 L HN -0.077 nan 8.230 nan 0.000 0.456 194 K N 1.469 121.865 120.400 -0.007 0.000 2.334 194 K HA 0.197 4.517 4.320 -0.000 0.000 0.195 194 K C -0.012 176.590 176.600 0.004 0.000 1.045 194 K CA 0.561 56.846 56.287 -0.004 0.000 1.004 194 K CB 0.465 32.957 32.500 -0.013 0.000 0.837 194 K HN 0.472 nan 8.250 nan 0.000 0.510 195 K N 1.416 121.818 120.400 0.004 0.000 2.507 195 K HA 0.183 4.503 4.320 -0.000 0.000 0.252 195 K C -1.619 174.985 176.600 0.007 0.000 0.943 195 K CA -0.426 55.866 56.287 0.007 0.000 0.808 195 K CB 1.681 34.184 32.500 0.005 0.000 1.142 195 K HN -0.198 nan 8.250 nan 0.000 0.426 196 D N 2.599 123.006 120.400 0.011 0.000 2.312 196 D HA 0.127 4.767 4.640 -0.000 0.000 0.229 196 D C -1.338 174.971 176.300 0.015 0.000 1.337 196 D CA -0.465 53.541 54.000 0.010 0.000 0.964 196 D CB 0.633 41.439 40.800 0.010 0.000 1.456 196 D HN 0.288 nan 8.370 nan 0.000 0.547 197 N N 2.129 120.836 118.700 0.012 0.000 3.105 197 N HA 0.221 4.961 4.740 -0.000 0.000 0.256 197 N C -0.678 174.835 175.510 0.006 0.000 1.174 197 N CA -0.113 52.946 53.050 0.016 0.000 1.030 197 N CB 1.087 39.585 38.487 0.018 0.000 1.305 197 N HN 0.325 nan 8.380 nan 0.000 0.509 198 T N -1.499 113.056 114.554 0.001 0.000 3.327 198 T HA 0.674 5.024 4.350 -0.000 0.000 0.373 198 T C 0.612 175.288 174.700 -0.040 0.000 1.589 198 T CA -0.472 61.616 62.100 -0.019 0.000 1.497 198 T CB 0.616 69.474 68.868 -0.018 0.000 1.032 198 T HN 0.470 nan 8.240 nan 0.000 0.640 199 G N 1.763 110.522 108.800 -0.067 0.000 2.627 199 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.214 199 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.214 199 G C -1.002 173.882 174.900 -0.027 0.000 1.331 199 G CA -1.048 43.950 45.100 -0.170 0.000 0.891 199 G HN 0.605 nan 8.290 nan 0.000 0.539 200 Y N 0.660 120.968 120.300 0.014 0.000 2.379 200 Y HA 0.447 4.997 4.550 -0.000 0.000 0.337 200 Y C 1.058 176.971 175.900 0.022 0.000 1.238 200 Y CA -0.728 57.380 58.100 0.013 0.000 1.405 200 Y CB 0.623 39.088 38.460 0.008 0.000 1.310 200 Y HN 0.521 nan 8.280 nan 0.000 0.569 201 D N 2.652 123.168 120.400 0.193 0.000 2.402 201 D HA 0.086 4.726 4.640 -0.000 0.000 0.235 201 D C 0.357 176.726 176.300 0.115 0.000 1.226 201 D CA 0.320 54.392 54.000 0.120 0.000 0.918 201 D CB 0.105 40.953 40.800 0.080 0.000 1.043 201 D HN 0.609 nan 8.370 nan 0.000 0.506 202 L N 3.160 124.469 121.223 0.144 0.000 2.375 202 L HA 0.090 4.430 4.340 -0.000 0.000 0.215 202 L C 2.512 179.527 176.870 0.243 0.000 1.108 202 L CA -0.082 54.860 54.840 0.170 0.000 0.830 202 L CB -0.151 42.050 42.059 0.237 0.000 0.959 202 L HN 0.335 nan 8.230 nan 0.000 0.457 203 R N 0.943 121.569 120.500 0.210 0.000 2.097 203 R HA -0.220 4.120 4.340 -0.000 0.000 0.236 203 R C 1.578 178.002 176.300 0.206 0.000 1.135 203 R CA 2.190 58.424 56.100 0.223 0.000 0.934 203 R CB -0.204 30.174 30.300 0.129 0.000 0.846 203 R HN 0.299 nan 8.270 nan 0.000 0.431 204 D N 0.409 120.877 120.400 0.114 0.000 2.350 204 D HA -0.123 4.517 4.640 -0.000 0.000 0.216 204 D C 1.665 177.972 176.300 0.013 0.000 0.968 204 D CA 0.507 54.547 54.000 0.067 0.000 0.894 204 D CB 0.127 40.952 40.800 0.042 0.000 0.909 204 D HN 0.202 nan 8.370 nan 0.000 0.520 205 L N -0.546 120.647 121.223 -0.050 0.000 2.179 205 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 205 L C 1.619 178.289 176.870 -0.332 0.000 1.096 205 L CA 1.256 55.950 54.840 -0.243 0.000 0.779 205 L CB -0.312 41.507 42.059 -0.400 0.000 0.922 205 L HN -0.113 nan 8.230 nan 0.000 0.443 206 F N -0.933 119.028 119.950 0.019 0.000 2.473 206 F HA 0.151 4.678 4.527 -0.000 0.000 0.294 206 F C 1.190 177.003 175.800 0.023 0.000 1.103 206 F CA -0.126 57.885 58.000 0.019 0.000 1.442 206 F CB -0.304 38.708 39.000 0.019 0.000 1.097 206 F HN -0.226 nan 8.300 nan 0.000 0.547 207 I N 0.869 121.546 120.570 0.178 0.000 2.494 207 I HA 0.231 4.401 4.170 -0.000 0.000 0.289 207 I C 1.247 177.407 176.117 0.071 0.000 1.106 207 I CA 0.542 61.913 61.300 0.118 0.000 1.369 207 I CB -0.131 37.932 38.000 0.104 0.000 1.410 207 I HN 0.442 nan 8.210 nan 0.000 0.523 208 G N 4.554 113.395 108.800 0.069 0.000 2.195 208 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.224 208 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.224 208 G C 0.981 175.903 174.900 0.036 0.000 0.990 208 G CA 0.170 45.297 45.100 0.045 0.000 0.639 208 G HN 0.741 nan 8.290 nan 0.000 0.514 209 A N 0.436 123.284 122.820 0.046 0.000 2.168 209 A HA 0.460 4.780 4.320 -0.000 0.000 0.215 209 A C 1.340 178.953 177.584 0.047 0.000 1.152 209 A CA 1.825 53.881 52.037 0.032 0.000 0.716 209 A CB -0.449 18.573 19.000 0.037 0.000 0.794 209 A HN 1.329 nan 8.150 nan 0.000 0.465 210 E N -2.818 117.418 120.200 0.060 0.000 2.586 210 E HA -0.247 4.103 4.350 -0.000 0.000 0.259 210 E C 0.781 177.414 176.600 0.055 0.000 1.107 210 E CA 0.404 56.837 56.400 0.056 0.000 0.754 210 E CB -2.220 27.509 29.700 0.047 0.000 1.335 210 E HN 1.551 nan 8.360 nan 0.000 0.411 211 G N -0.319 108.523 108.800 0.071 0.000 2.155 211 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.257 211 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.257 211 G C 0.702 175.640 174.900 0.063 0.000 0.983 211 G CA 1.237 46.377 45.100 0.067 0.000 0.676 211 G HN 0.734 nan 8.290 nan 0.000 0.528 212 T N -2.146 112.445 114.554 0.061 0.000 3.086 212 T HA 0.533 4.883 4.350 -0.000 0.000 0.250 212 T C 1.776 176.511 174.700 0.058 0.000 1.074 212 T CA 0.835 62.962 62.100 0.045 0.000 0.988 212 T CB 0.091 68.973 68.868 0.023 0.000 0.988 212 T HN 0.406 nan 8.240 nan 0.000 0.530 213 L N -0.185 121.104 121.223 0.111 0.000 2.920 213 L HA 0.587 4.927 4.340 -0.000 0.000 0.257 213 L C 1.105 178.157 176.870 0.303 0.000 1.150 213 L CA -0.243 54.695 54.840 0.163 0.000 0.959 213 L CB 0.682 42.779 42.059 0.063 0.000 1.321 213 L HN 0.554 nan 8.230 nan 0.000 0.555 214 G N 0.511 109.440 108.800 0.215 0.000 2.341 214 G HA2 0.261 4.221 3.960 -0.000 0.000 0.293 214 G HA3 0.261 4.221 3.960 -0.000 0.000 0.293 214 G C -1.734 173.200 174.900 0.056 0.000 1.298 214 G CA -0.786 44.385 45.100 0.118 0.000 0.868 214 G HN -0.102 nan 8.290 nan 0.000 0.540 215 I N 1.079 121.641 120.570 -0.013 0.000 2.382 215 I HA 0.367 4.537 4.170 -0.000 0.000 0.286 215 I C 0.104 176.182 176.117 -0.065 0.000 1.002 215 I CA -0.644 60.643 61.300 -0.022 0.000 1.135 215 I CB 1.579 39.567 38.000 -0.019 0.000 1.288 215 I HN 0.275 nan 8.210 nan 0.000 0.448 216 I N 5.857 126.397 120.570 -0.049 0.000 2.517 216 I HA 0.010 4.180 4.170 -0.000 0.000 0.285 216 I C 1.488 177.577 176.117 -0.047 0.000 1.106 216 I CA 0.263 61.523 61.300 -0.066 0.000 1.402 216 I CB 1.062 39.047 38.000 -0.025 0.000 1.399 216 I HN 0.705 nan 8.210 nan 0.000 0.535 217 T N 2.053 116.571 114.554 -0.059 0.000 3.015 217 T HA 0.512 4.862 4.350 -0.000 0.000 0.250 217 T C 0.425 175.100 174.700 -0.042 0.000 1.057 217 T CA 0.140 62.213 62.100 -0.046 0.000 1.066 217 T CB 0.503 69.343 68.868 -0.048 0.000 0.959 217 T HN 0.655 nan 8.240 nan 0.000 0.488 218 A N 0.056 122.849 122.820 -0.046 0.000 2.601 218 A HA 0.905 5.225 4.320 -0.000 0.000 0.291 218 A C -1.443 176.118 177.584 -0.038 0.000 1.075 218 A CA -0.594 51.418 52.037 -0.042 0.000 0.671 218 A CB 1.018 19.992 19.000 -0.043 0.000 1.277 218 A HN 1.204 nan 8.150 nan 0.000 0.417 219 A N -0.368 122.431 122.820 -0.035 0.000 2.605 219 A HA 0.844 5.164 4.320 -0.000 0.000 0.294 219 A C -0.589 176.975 177.584 -0.033 0.000 1.062 219 A CA 0.268 52.291 52.037 -0.024 0.000 0.682 219 A CB 1.194 20.191 19.000 -0.005 0.000 1.278 219 A HN 2.039 nan 8.150 nan 0.000 0.410 220 T N 1.351 115.894 114.554 -0.019 0.000 2.797 220 T HA 0.700 5.050 4.350 -0.000 0.000 0.279 220 T C -0.753 173.945 174.700 -0.003 0.000 0.991 220 T CA -0.286 61.798 62.100 -0.026 0.000 0.979 220 T CB -0.128 68.727 68.868 -0.021 0.000 0.943 220 T HN 0.568 nan 8.240 nan 0.000 0.444 221 L N 3.386 124.597 121.223 -0.019 0.000 2.301 221 L HA 0.628 4.968 4.340 -0.000 0.000 0.264 221 L C 0.120 177.030 176.870 0.066 0.000 1.016 221 L CA -1.386 53.486 54.840 0.054 0.000 0.821 221 L CB 2.025 44.096 42.059 0.021 0.000 1.346 221 L HN 0.495 nan 8.230 nan 0.000 0.429 222 K N 1.383 121.873 120.400 0.150 0.000 2.237 222 K HA 0.552 4.872 4.320 -0.000 0.000 0.270 222 K C -1.027 175.633 176.600 0.101 0.000 1.015 222 K CA -0.317 55.976 56.287 0.010 0.000 0.949 222 K CB 0.980 33.396 32.500 -0.139 0.000 0.976 222 K HN 0.340 nan 8.250 nan 0.000 0.472 223 L N 2.793 123.967 121.223 -0.082 0.000 2.330 223 L HA 0.544 4.884 4.340 -0.000 0.000 0.271 223 L C -0.727 176.029 176.870 -0.189 0.000 1.013 223 L CA -0.884 53.983 54.840 0.045 0.000 0.816 223 L CB 0.818 42.895 42.059 0.030 0.000 1.287 223 L HN 0.463 nan 8.230 nan 0.000 0.435 224 F N 0.609 120.581 119.950 0.035 0.000 2.611 224 F HA 0.543 5.070 4.527 -0.000 0.000 0.324 224 F C -2.138 173.675 175.800 0.021 0.000 1.061 224 F CA -2.394 55.618 58.000 0.020 0.000 0.954 224 F CB 1.161 40.144 39.000 -0.028 0.000 1.301 224 F HN 0.196 nan 8.300 nan 0.000 0.482 225 P HA 0.043 nan 4.420 nan 0.000 0.269 225 P C -1.064 176.317 177.300 0.135 0.000 1.209 225 P CA -0.383 62.803 63.100 0.143 0.000 0.776 225 P CB 0.529 32.309 31.700 0.133 0.000 0.876 226 K N 4.323 124.776 120.400 0.089 0.000 2.297 226 K HA 0.243 4.563 4.320 -0.000 0.000 0.286 226 K C -1.986 174.655 176.600 0.069 0.000 1.053 226 K CA -1.871 54.456 56.287 0.068 0.000 0.940 226 K CB -0.054 32.475 32.500 0.048 0.000 1.019 226 K HN 0.358 nan 8.250 nan 0.000 0.475 227 P HA 0.057 nan 4.420 nan 0.000 0.269 227 P C -0.404 176.928 177.300 0.053 0.000 1.209 227 P CA -0.147 62.995 63.100 0.071 0.000 0.776 227 P CB 1.210 32.958 31.700 0.079 0.000 0.876 228 R N 1.744 122.274 120.500 0.050 0.000 2.189 228 R HA 0.337 4.677 4.340 -0.000 0.000 0.203 228 R C 0.227 176.551 176.300 0.039 0.000 1.012 228 R CA 0.704 56.828 56.100 0.041 0.000 1.015 228 R CB 0.037 30.360 30.300 0.038 0.000 0.938 228 R HN 0.623 nan 8.270 nan 0.000 0.472 229 A N -0.040 122.807 122.820 0.045 0.000 2.408 229 A HA 0.615 4.935 4.320 -0.000 0.000 0.295 229 A C -1.502 176.115 177.584 0.055 0.000 1.040 229 A CA -0.652 51.413 52.037 0.045 0.000 0.707 229 A CB 1.820 20.846 19.000 0.042 0.000 1.235 229 A HN -0.023 nan 8.150 nan 0.000 0.418 230 V N 2.762 122.711 119.914 0.059 0.000 2.487 230 V HA 0.593 4.713 4.120 -0.000 0.000 0.298 230 V C -0.599 175.547 176.094 0.086 0.000 1.028 230 V CA -0.562 61.785 62.300 0.077 0.000 0.860 230 V CB 1.666 33.536 31.823 0.079 0.000 0.991 230 V HN 0.889 nan 8.190 nan 0.000 0.427 231 E N 2.216 122.475 120.200 0.099 0.000 2.248 231 E HA 0.650 5.000 4.350 -0.000 0.000 0.267 231 E C -0.922 175.755 176.600 0.128 0.000 0.877 231 E CA -0.431 56.028 56.400 0.099 0.000 0.759 231 E CB 2.614 32.361 29.700 0.078 0.000 1.182 231 E HN 0.695 nan 8.360 nan 0.000 0.418 232 T N 0.542 115.180 114.554 0.139 0.000 2.893 232 T HA 0.834 5.184 4.350 -0.000 0.000 0.291 232 T C -0.872 173.950 174.700 0.204 0.000 1.028 232 T CA -0.792 61.410 62.100 0.171 0.000 0.995 232 T CB 1.879 70.891 68.868 0.241 0.000 1.051 232 T HN 0.495 nan 8.240 nan 0.000 0.470 233 A N 1.706 124.612 122.820 0.143 0.000 2.520 233 A HA 0.767 5.087 4.320 -0.000 0.000 0.298 233 A C -1.851 175.680 177.584 -0.088 0.000 1.051 233 A CA -0.644 51.486 52.037 0.155 0.000 0.690 233 A CB 1.167 20.211 19.000 0.073 0.000 1.281 233 A HN 0.670 nan 8.150 nan 0.000 0.402 234 F N 1.847 121.648 119.950 -0.248 0.000 2.436 234 F HA 0.634 5.161 4.527 -0.000 0.000 0.340 234 F C -0.119 175.541 175.800 -0.233 0.000 1.113 234 F CA -0.347 57.382 58.000 -0.451 0.000 1.022 234 F CB 2.026 40.498 39.000 -0.879 0.000 1.128 234 F HN 0.388 nan 8.300 nan 0.000 0.466 235 V N 3.347 123.287 119.914 0.044 0.000 2.680 235 V HA 0.729 4.849 4.120 -0.000 0.000 0.309 235 V C 0.024 176.062 176.094 -0.093 0.000 1.052 235 V CA -0.945 61.311 62.300 -0.073 0.000 0.908 235 V CB 1.756 33.467 31.823 -0.187 0.000 1.001 235 V HN 0.881 nan 8.190 nan 0.000 0.431 236 G N 3.516 112.099 108.800 -0.361 0.000 2.368 236 G HA2 0.716 4.676 3.960 -0.000 0.000 0.320 236 G HA3 0.716 4.676 3.960 -0.000 0.000 0.320 236 G C -1.322 173.176 174.900 -0.670 0.000 1.158 236 G CA -0.266 44.367 45.100 -0.780 0.000 0.912 236 G HN 0.438 nan 8.290 nan 0.000 0.456 237 L N 0.830 121.814 121.223 -0.398 0.000 2.341 237 L HA 0.494 4.834 4.340 -0.000 0.000 0.254 237 L C 1.050 177.919 176.870 -0.002 0.000 1.040 237 L CA -0.852 53.881 54.840 -0.179 0.000 0.837 237 L CB 1.728 43.727 42.059 -0.099 0.000 1.425 237 L HN 0.315 nan 8.230 nan 0.000 0.414 238 Q N 0.060 119.885 119.800 0.042 0.000 2.354 238 Q HA 0.205 4.545 4.340 -0.000 0.000 0.203 238 Q C -0.075 176.023 176.000 0.162 0.000 0.933 238 Q CA 0.539 56.413 55.803 0.119 0.000 0.901 238 Q CB 0.668 29.451 28.738 0.076 0.000 1.007 238 Q HN 0.785 nan 8.270 nan 0.000 0.495 239 S N -2.034 113.686 115.700 0.033 0.000 2.565 239 S HA 0.381 4.851 4.470 -0.000 0.000 0.269 239 S C -2.646 171.696 174.600 -0.431 0.000 1.153 239 S CA -1.157 56.931 58.200 -0.187 0.000 0.835 239 S CB 1.935 65.064 63.200 -0.118 0.000 1.122 239 S HN -0.295 nan 8.310 nan 0.000 0.462 240 P HA -0.028 nan 4.420 nan 0.000 0.220 240 P C 0.792 177.911 177.300 -0.302 0.000 1.148 240 P CA 1.133 63.837 63.100 -0.659 0.000 0.803 240 P CB 0.013 31.220 31.700 -0.822 0.000 0.782 241 D N -0.666 119.593 120.400 -0.235 0.000 2.144 241 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 241 D C 1.412 177.652 176.300 -0.101 0.000 0.978 241 D CA 1.146 55.064 54.000 -0.137 0.000 0.833 241 D CB -0.492 40.245 40.800 -0.106 0.000 0.961 241 D HN -0.025 nan 8.370 nan 0.000 0.470 242 D N -0.212 120.128 120.400 -0.100 0.000 2.117 242 D HA -0.065 4.574 4.640 -0.000 0.000 0.198 242 D C 1.936 178.212 176.300 -0.040 0.000 0.982 242 D CA 1.310 55.271 54.000 -0.065 0.000 0.828 242 D CB -0.435 40.329 40.800 -0.060 0.000 0.967 242 D HN 0.261 nan 8.370 nan 0.000 0.464 243 A N 0.695 123.493 122.820 -0.036 0.000 1.933 243 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 243 A C 2.122 179.759 177.584 0.087 0.000 1.175 243 A CA 0.933 53.013 52.037 0.072 0.000 0.628 243 A CB -0.660 18.386 19.000 0.076 0.000 0.814 243 A HN 0.249 nan 8.150 nan 0.000 0.444 244 L N -0.176 121.034 121.223 -0.022 0.000 2.083 244 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 244 L C 2.142 178.955 176.870 -0.095 0.000 1.083 244 L CA 2.201 56.996 54.840 -0.075 0.000 0.752 244 L CB -0.480 41.529 42.059 -0.084 0.000 0.899 244 L HN 0.348 nan 8.230 nan 0.000 0.433 245 K N -1.032 119.330 120.400 -0.063 0.000 2.097 245 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 245 K C 1.986 178.554 176.600 -0.054 0.000 1.050 245 K CA 1.353 57.604 56.287 -0.060 0.000 0.938 245 K CB -0.382 32.090 32.500 -0.045 0.000 0.718 245 K HN 0.221 nan 8.250 nan 0.000 0.442 246 L N 1.338 122.558 121.223 -0.005 0.000 2.083 246 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 246 L C 1.977 178.833 176.870 -0.024 0.000 1.083 246 L CA 1.248 56.125 54.840 0.060 0.000 0.752 246 L CB -0.422 41.748 42.059 0.185 0.000 0.899 246 L HN 0.099 nan 8.230 nan 0.000 0.433 247 L N -0.411 120.629 121.223 -0.304 0.000 2.083 247 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 247 L C 2.286 178.923 176.870 -0.388 0.000 1.083 247 L CA 2.033 56.375 54.840 -0.831 0.000 0.752 247 L CB -1.339 40.158 42.059 -0.937 0.000 0.899 247 L HN 0.279 nan 8.230 nan 0.000 0.433 248 G N -0.384 108.281 108.800 -0.225 0.000 2.408 248 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 248 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 248 G C 1.626 176.467 174.900 -0.099 0.000 1.150 248 G CA 1.060 46.075 45.100 -0.142 0.000 0.776 248 G HN 0.469 nan 8.290 nan 0.000 0.542 249 I N 1.252 121.777 120.570 -0.074 0.000 2.202 249 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 249 I C 3.293 179.395 176.117 -0.025 0.000 1.091 249 I CA 0.929 62.208 61.300 -0.034 0.000 1.368 249 I CB -0.210 37.784 38.000 -0.010 0.000 1.058 249 I HN 0.244 nan 8.210 nan 0.000 0.410 250 A N 0.297 123.100 122.820 -0.028 0.000 1.858 250 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 250 A C 2.252 179.816 177.584 -0.034 0.000 1.190 250 A CA 1.649 53.689 52.037 0.006 0.000 0.617 250 A CB -0.734 18.309 19.000 0.072 0.000 0.827 250 A HN 0.445 nan 8.150 nan 0.000 0.443 251 Q N -0.888 118.856 119.800 -0.094 0.000 2.096 251 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 251 Q C 2.170 178.138 176.000 -0.054 0.000 0.982 251 Q CA 1.376 57.128 55.803 -0.086 0.000 0.850 251 Q CB -0.493 28.173 28.738 -0.119 0.000 0.901 251 Q HN 0.700 nan 8.270 nan 0.000 0.422 252 G N 0.151 108.922 108.800 -0.048 0.000 2.422 252 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 252 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 252 G C 1.264 176.154 174.900 -0.017 0.000 1.140 252 G CA 0.886 45.967 45.100 -0.031 0.000 0.775 252 G HN 0.223 nan 8.290 nan 0.000 0.545 253 E N -0.241 119.953 120.200 -0.010 0.000 2.166 253 E HA 0.350 4.700 4.350 -0.000 0.000 0.192 253 E C 2.406 179.010 176.600 0.006 0.000 0.967 253 E CA 0.908 57.310 56.400 0.004 0.000 0.840 253 E CB 0.027 29.736 29.700 0.015 0.000 0.795 253 E HN 0.252 nan 8.360 nan 0.000 0.470 254 A N -0.196 122.626 122.820 0.003 0.000 2.167 254 A HA 0.643 4.963 4.320 -0.000 0.000 0.208 254 A C 1.423 178.999 177.584 -0.013 0.000 1.198 254 A CA 0.940 52.980 52.037 0.004 0.000 0.863 254 A CB -0.195 18.815 19.000 0.018 0.000 0.904 254 A HN 0.300 nan 8.150 nan 0.000 0.484 255 A N -0.997 121.808 122.820 -0.025 0.000 5.318 255 A HA -0.234 4.086 4.320 -0.000 0.000 0.329 255 A C 2.209 179.759 177.584 -0.056 0.000 1.789 255 A CA 2.061 54.076 52.037 -0.037 0.000 0.711 255 A CB -1.985 17.000 19.000 -0.025 0.000 1.398 255 A HN 1.699 nan 8.150 nan 0.000 0.392 256 G N -1.088 107.679 108.800 -0.056 0.000 2.498 256 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.219 256 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.219 256 G C 0.875 175.703 174.900 -0.121 0.000 1.119 256 G CA 1.435 46.478 45.100 -0.095 0.000 0.766 256 G HN 0.726 nan 8.290 nan 0.000 0.552 257 N N -0.227 118.434 118.700 -0.064 0.000 2.494 257 N HA 0.018 4.758 4.740 -0.000 0.000 0.182 257 N C 0.576 176.063 175.510 -0.039 0.000 1.076 257 N CA -0.054 52.971 53.050 -0.043 0.000 0.908 257 N CB 0.045 38.531 38.487 -0.001 0.000 0.967 257 N HN 0.262 nan 8.380 nan 0.000 0.449 258 L N 2.187 123.382 121.223 -0.046 0.000 2.454 258 L HA 0.107 4.447 4.340 -0.000 0.000 0.284 258 L C 1.297 178.140 176.870 -0.045 0.000 1.139 258 L CA 0.329 55.166 54.840 -0.004 0.000 0.911 258 L CB -0.107 41.958 42.059 0.010 0.000 1.262 258 L HN 0.074 nan 8.230 nan 0.000 0.453 259 T N -0.935 113.612 114.554 -0.013 0.000 3.065 259 T HA 0.269 4.619 4.350 -0.000 0.000 0.252 259 T C 0.660 175.403 174.700 0.071 0.000 1.099 259 T CA 0.231 62.309 62.100 -0.037 0.000 1.063 259 T CB -0.007 68.863 68.868 0.003 0.000 0.948 259 T HN 0.484 nan 8.240 nan 0.000 0.506 260 S N 0.065 115.858 115.700 0.155 0.000 2.533 260 S HA 0.661 5.131 4.470 -0.000 0.000 0.271 260 S C -2.000 172.750 174.600 0.249 0.000 1.143 260 S CA -0.777 57.564 58.200 0.236 0.000 0.891 260 S CB 1.900 65.348 63.200 0.413 0.000 1.105 260 S HN 0.327 nan 8.310 nan 0.000 0.468 261 F N 2.358 122.360 119.950 0.086 0.000 3.159 261 F HA 0.313 4.840 4.527 -0.000 0.000 0.394 261 F C -0.779 175.064 175.800 0.071 0.000 1.214 261 F CA -0.216 57.806 58.000 0.037 0.000 1.241 261 F CB 0.617 39.627 39.000 0.017 0.000 2.238 261 F HN 0.416 nan 8.300 nan 0.000 0.658 262 E N 3.702 123.901 120.200 -0.001 0.000 2.227 262 E HA 0.301 4.651 4.350 -0.000 0.000 0.282 262 E C -1.069 175.538 176.600 0.011 0.000 1.015 262 E CA -0.814 55.635 56.400 0.083 0.000 0.823 262 E CB 2.618 32.344 29.700 0.043 0.000 1.081 262 E HN 0.486 nan 8.360 nan 0.000 0.396 263 L N 4.499 125.822 121.223 0.167 0.000 2.282 263 L HA 0.437 4.777 4.340 -0.000 0.000 0.288 263 L C -0.911 176.159 176.870 0.332 0.000 1.033 263 L CA -0.175 54.805 54.840 0.233 0.000 0.807 263 L CB 0.497 42.706 42.059 0.251 0.000 1.209 263 L HN 0.416 nan 8.230 nan 0.000 0.423 264 I N 5.247 126.037 120.570 0.368 0.000 2.478 264 I HA 0.568 4.738 4.170 -0.000 0.000 0.287 264 I C 0.162 176.446 176.117 0.279 0.000 1.042 264 I CA -0.782 60.707 61.300 0.316 0.000 1.067 264 I CB 1.827 39.927 38.000 0.166 0.000 1.233 264 I HN 0.757 nan 8.210 nan 0.000 0.431 265 A N 4.426 127.239 122.820 -0.012 0.000 2.346 265 A HA 0.189 4.509 4.320 -0.000 0.000 0.252 265 A C 1.261 178.660 177.584 -0.310 0.000 1.089 265 A CA -0.053 51.590 52.037 -0.657 0.000 0.797 265 A CB 0.477 18.919 19.000 -0.930 0.000 1.047 265 A HN 0.918 nan 8.150 nan 0.000 0.494 266 E N 0.038 120.018 120.200 -0.365 0.000 2.051 266 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 266 E C 1.681 178.132 176.600 -0.248 0.000 0.991 266 E CA 1.945 58.271 56.400 -0.123 0.000 0.799 266 E CB -0.207 29.418 29.700 -0.124 0.000 0.748 266 E HN 0.799 nan 8.360 nan 0.000 0.449 267 T N 1.525 115.857 114.554 -0.370 0.000 2.635 267 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 267 T C -1.094 173.124 174.700 -0.804 0.000 1.040 267 T CA 1.952 63.721 62.100 -0.550 0.000 1.156 267 T CB -1.148 67.379 68.868 -0.568 0.000 0.863 267 T HN 0.316 nan 8.240 nan 0.000 0.430 268 P HA 0.006 nan 4.420 nan 0.000 0.217 268 P C 1.822 178.928 177.300 -0.324 0.000 1.150 268 P CA 0.810 63.608 63.100 -0.504 0.000 0.832 268 P CB -0.224 31.259 31.700 -0.360 0.000 0.787 269 L N 0.202 121.249 121.223 -0.292 0.000 2.056 269 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 269 L C 2.249 179.003 176.870 -0.194 0.000 1.078 269 L CA 2.042 56.716 54.840 -0.276 0.000 0.749 269 L CB -0.973 40.823 42.059 -0.438 0.000 0.901 269 L HN -0.132 nan 8.230 nan 0.000 0.433 270 D N -0.612 119.693 120.400 -0.159 0.000 2.123 270 D HA -0.258 4.382 4.640 -0.000 0.000 0.196 270 D C 1.961 178.351 176.300 0.149 0.000 0.992 270 D CA 1.578 55.558 54.000 -0.033 0.000 0.833 270 D CB -0.087 40.708 40.800 -0.009 0.000 0.954 270 D HN 0.328 nan 8.370 nan 0.000 0.455 271 F N 0.394 120.309 119.950 -0.059 0.000 2.171 271 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 271 F C 2.858 178.672 175.800 0.022 0.000 1.090 271 F CA 0.870 58.896 58.000 0.044 0.000 1.293 271 F CB -1.287 37.715 39.000 0.003 0.000 1.013 271 F HN 0.008 nan 8.300 nan 0.000 0.486 272 S N -0.331 115.442 115.700 0.121 0.000 2.406 272 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 272 S C 2.216 176.811 174.600 -0.009 0.000 1.020 272 S CA 0.998 59.214 58.200 0.027 0.000 0.965 272 S CB -0.351 62.817 63.200 -0.053 0.000 0.798 272 S HN 0.061 nan 8.310 nan 0.000 0.488 273 V N 1.995 121.880 119.914 -0.047 0.000 2.283 273 V HA -0.034 4.086 4.120 -0.000 0.000 0.243 273 V C 2.627 178.665 176.094 -0.093 0.000 1.039 273 V CA 1.692 63.944 62.300 -0.080 0.000 1.016 273 V CB -0.574 31.182 31.823 -0.112 0.000 0.650 273 V HN 0.414 nan 8.190 nan 0.000 0.449 274 R N -0.890 119.531 120.500 -0.132 0.000 2.115 274 R HA -0.029 4.311 4.340 -0.000 0.000 0.226 274 R C 1.938 177.991 176.300 -0.412 0.000 1.100 274 R CA 1.054 56.977 56.100 -0.294 0.000 0.980 274 R CB -0.182 29.875 30.300 -0.406 0.000 0.875 274 R HN 0.618 nan 8.270 nan 0.000 0.445 275 H N -1.675 117.370 119.070 -0.043 0.000 2.652 275 H HA 0.309 4.865 4.556 -0.000 0.000 0.274 275 H C 0.583 175.889 175.328 -0.035 0.000 1.021 275 H CA 0.436 56.452 56.048 -0.055 0.000 1.187 275 H CB 1.210 30.918 29.762 -0.090 0.000 1.505 275 H HN 0.155 nan 8.280 nan 0.000 0.530 276 A N 0.862 123.713 122.820 0.052 0.000 2.609 276 A HA 0.101 4.420 4.320 -0.000 0.000 0.286 276 A C 0.594 178.183 177.584 0.009 0.000 1.138 276 A CA -0.187 51.870 52.037 0.033 0.000 0.960 276 A CB 0.008 19.030 19.000 0.036 0.000 1.208 276 A HN 0.265 nan 8.150 nan 0.000 0.541 277 N N 1.083 119.775 118.700 -0.013 0.000 2.714 277 N HA -0.155 4.585 4.740 -0.000 0.000 0.252 277 N C -1.022 174.479 175.510 -0.015 0.000 1.014 277 N CA 0.850 53.888 53.050 -0.021 0.000 0.735 277 N CB -1.450 37.030 38.487 -0.011 0.000 0.924 277 N HN 0.588 nan 8.380 nan 0.000 0.540 278 N N 0.529 119.214 118.700 -0.025 0.000 2.466 278 N HA 0.228 4.968 4.740 -0.000 0.000 0.294 278 N C -0.065 175.416 175.510 -0.047 0.000 1.129 278 N CA -0.498 52.539 53.050 -0.022 0.000 0.931 278 N CB 1.194 39.668 38.487 -0.021 0.000 1.193 278 N HN 0.298 nan 8.380 nan 0.000 0.500 279 R N 1.102 121.582 120.500 -0.034 0.000 2.267 279 R HA 0.026 4.366 4.340 -0.000 0.000 0.319 279 R C -0.565 175.669 176.300 -0.110 0.000 1.067 279 R CA -0.461 55.611 56.100 -0.046 0.000 0.936 279 R CB 0.337 30.637 30.300 -0.001 0.000 1.006 279 R HN 0.423 nan 8.270 nan 0.000 0.452 280 D N 6.154 126.474 120.400 -0.132 0.000 2.412 280 D HA 0.004 4.644 4.640 -0.000 0.000 0.257 280 D C -1.395 174.785 176.300 -0.200 0.000 1.217 280 D CA -1.692 52.183 54.000 -0.208 0.000 0.897 280 D CB 1.432 42.144 40.800 -0.147 0.000 1.132 280 D HN 0.425 nan 8.370 nan 0.000 0.493 281 P HA 0.054 nan 4.420 nan 0.000 0.236 281 P C 0.029 177.249 177.300 -0.135 0.000 1.177 281 P CA 0.366 63.285 63.100 -0.303 0.000 0.773 281 P CB 0.494 31.657 31.700 -0.895 0.000 0.878 282 L N -0.784 120.392 121.223 -0.078 0.000 2.370 282 L HA 0.336 4.676 4.340 -0.000 0.000 0.266 282 L C 1.635 178.553 176.870 0.080 0.000 1.002 282 L CA -0.805 54.081 54.840 0.076 0.000 0.818 282 L CB 2.174 44.368 42.059 0.226 0.000 1.325 282 L HN -0.339 nan 8.230 nan 0.000 0.418 283 E N 1.571 121.827 120.200 0.095 0.000 2.160 283 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 283 E C 0.224 176.838 176.600 0.024 0.000 0.991 283 E CA 1.230 57.662 56.400 0.054 0.000 0.810 283 E CB 0.320 30.055 29.700 0.058 0.000 0.742 283 E HN 0.625 nan 8.360 nan 0.000 0.466 284 A N -0.429 122.413 122.820 0.036 0.000 2.386 284 A HA 0.703 5.023 4.320 -0.000 0.000 0.308 284 A C -0.651 176.803 177.584 -0.216 0.000 1.128 284 A CA -0.793 51.168 52.037 -0.126 0.000 0.789 284 A CB 1.206 20.068 19.000 -0.229 0.000 1.325 284 A HN -0.020 nan 8.150 nan 0.000 0.437 285 R N -0.251 120.062 120.500 -0.312 0.000 2.459 285 R HA 0.526 4.866 4.340 -0.000 0.000 0.281 285 R C -1.618 174.315 176.300 -0.612 0.000 1.050 285 R CA 0.179 56.145 56.100 -0.222 0.000 1.055 285 R CB 0.514 30.747 30.300 -0.112 0.000 1.045 285 R HN 0.686 nan 8.270 nan 0.000 0.495 286 Y N 1.286 121.520 120.300 -0.111 0.000 2.545 286 Y HA 0.284 4.834 4.550 -0.000 0.000 0.348 286 Y C -1.334 174.372 175.900 -0.324 0.000 1.002 286 Y CA -2.098 55.810 58.100 -0.320 0.000 1.039 286 Y CB 1.962 40.067 38.460 -0.593 0.000 1.271 286 Y HN 0.407 nan 8.280 nan 0.000 0.467 287 P HA -0.096 nan 4.420 nan 0.000 0.219 287 P C -0.736 176.304 177.300 -0.435 0.000 1.150 287 P CA 1.430 64.421 63.100 -0.183 0.000 0.814 287 P CB 0.567 32.268 31.700 0.002 0.000 0.787 288 W N -1.223 119.993 121.300 -0.139 0.000 3.022 288 W HA 0.473 5.133 4.660 -0.000 0.000 0.335 288 W C -0.686 175.659 176.519 -0.289 0.000 1.133 288 W CA -0.543 56.746 57.345 -0.094 0.000 1.219 288 W CB 1.168 30.609 29.460 -0.032 0.000 1.409 288 W HN -0.233 nan 8.180 nan 0.000 0.507 289 Y N 0.905 121.359 120.300 0.257 0.000 2.598 289 Y HA 0.780 5.330 4.550 -0.000 0.000 0.340 289 Y C -0.289 175.645 175.900 0.056 0.000 1.038 289 Y CA -1.445 56.746 58.100 0.151 0.000 1.100 289 Y CB 1.803 40.401 38.460 0.230 0.000 1.281 289 Y HN -0.013 nan 8.280 nan 0.000 0.488 290 V N 2.917 122.850 119.914 0.033 0.000 2.623 290 V HA 0.301 4.421 4.120 -0.000 0.000 0.304 290 V C -1.409 174.334 176.094 -0.585 0.000 1.054 290 V CA -0.696 61.422 62.300 -0.304 0.000 0.882 290 V CB 1.999 33.536 31.823 -0.476 0.000 1.002 290 V HN 0.503 nan 8.190 nan 0.000 0.424 291 L N 6.830 127.600 121.223 -0.755 0.000 2.272 291 L HA 0.615 4.955 4.340 -0.000 0.000 0.284 291 L C -0.504 175.970 176.870 -0.661 0.000 1.045 291 L CA 0.292 54.529 54.840 -1.005 0.000 0.842 291 L CB 0.691 42.017 42.059 -1.222 0.000 1.224 291 L HN 0.661 nan 8.230 nan 0.000 0.430 292 I N 3.926 124.179 120.570 -0.528 0.000 2.437 292 I HA 0.476 4.646 4.170 -0.000 0.000 0.298 292 I C -0.708 175.359 176.117 -0.085 0.000 0.984 292 I CA -0.318 60.801 61.300 -0.301 0.000 1.214 292 I CB 1.364 39.201 38.000 -0.273 0.000 1.365 292 I HN 0.741 nan 8.210 nan 0.000 0.469 293 E N 6.156 126.395 120.200 0.066 0.000 2.308 293 E HA 0.472 4.822 4.350 -0.000 0.000 0.275 293 E C -2.020 174.660 176.600 0.133 0.000 0.890 293 E CA -0.709 55.785 56.400 0.156 0.000 0.754 293 E CB 1.971 31.870 29.700 0.331 0.000 1.207 293 E HN 0.439 nan 8.360 nan 0.000 0.426 294 L N 2.113 123.404 121.223 0.113 0.000 2.365 294 L HA 0.501 4.841 4.340 -0.000 0.000 0.273 294 L C -0.763 176.154 176.870 0.079 0.000 1.000 294 L CA -0.439 54.450 54.840 0.081 0.000 0.819 294 L CB 2.170 44.270 42.059 0.068 0.000 1.284 294 L HN 0.390 nan 8.230 nan 0.000 0.418 295 S N 1.020 116.756 115.700 0.060 0.000 2.605 295 S HA 0.702 5.172 4.470 -0.000 0.000 0.308 295 S C -0.630 174.002 174.600 0.054 0.000 1.113 295 S CA -0.590 57.649 58.200 0.065 0.000 1.049 295 S CB 1.681 64.931 63.200 0.084 0.000 1.001 295 S HN 0.530 nan 8.310 nan 0.000 0.480 296 S N 2.758 118.491 115.700 0.056 0.000 2.568 296 S HA 0.630 5.100 4.470 -0.000 0.000 0.293 296 S C -2.135 172.498 174.600 0.055 0.000 1.089 296 S CA -1.985 56.245 58.200 0.050 0.000 0.945 296 S CB 1.382 64.608 63.200 0.043 0.000 1.077 296 S HN 0.418 nan 8.310 nan 0.000 0.485 297 P HA 0.090 nan 4.420 nan 0.000 0.241 297 P C -0.170 177.156 177.300 0.044 0.000 1.191 297 P CA 0.423 63.556 63.100 0.055 0.000 0.771 297 P CB 0.213 31.948 31.700 0.058 0.000 0.929 298 R N -0.535 119.989 120.500 0.039 0.000 2.939 298 R HA 0.353 4.693 4.340 -0.000 0.000 0.254 298 R C -0.218 176.102 176.300 0.034 0.000 1.123 298 R CA -0.887 55.233 56.100 0.034 0.000 1.020 298 R CB 0.486 30.804 30.300 0.030 0.000 1.206 298 R HN -0.242 nan 8.270 nan 0.000 0.491 299 D N 1.573 121.991 120.400 0.030 0.000 2.676 299 D HA 0.001 4.641 4.640 -0.000 0.000 0.239 299 D C -0.020 176.298 176.300 0.030 0.000 1.213 299 D CA 0.567 54.585 54.000 0.030 0.000 0.835 299 D CB -0.099 40.717 40.800 0.026 0.000 1.009 299 D HN 0.473 nan 8.370 nan 0.000 0.479 300 D N -1.635 118.784 120.400 0.032 0.000 2.440 300 D HA 0.130 4.770 4.640 -0.000 0.000 0.216 300 D C 1.546 177.867 176.300 0.036 0.000 1.150 300 D CA -0.369 53.650 54.000 0.031 0.000 0.832 300 D CB 0.201 41.018 40.800 0.028 0.000 0.992 300 D HN -0.017 nan 8.370 nan 0.000 0.502 301 A N 0.870 123.713 122.820 0.040 0.000 1.930 301 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 301 A C 2.256 179.869 177.584 0.049 0.000 1.175 301 A CA 1.115 53.179 52.037 0.045 0.000 0.627 301 A CB -0.557 18.474 19.000 0.051 0.000 0.815 301 A HN 0.209 nan 8.150 nan 0.000 0.443 302 R N -0.411 120.117 120.500 0.047 0.000 2.092 302 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 302 R C 2.259 178.588 176.300 0.048 0.000 1.119 302 R CA 1.262 57.392 56.100 0.050 0.000 0.970 302 R CB -0.329 29.998 30.300 0.045 0.000 0.864 302 R HN 0.455 nan 8.270 nan 0.000 0.440 303 A N 0.592 123.438 122.820 0.042 0.000 1.902 303 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 303 A C 2.299 179.908 177.584 0.043 0.000 1.181 303 A CA 1.598 53.659 52.037 0.040 0.000 0.623 303 A CB -0.648 18.372 19.000 0.033 0.000 0.818 303 A HN 0.504 nan 8.150 nan 0.000 0.443 304 A N -0.518 122.327 122.820 0.042 0.000 1.898 304 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 304 A C 2.099 179.713 177.584 0.050 0.000 1.181 304 A CA 1.657 53.719 52.037 0.041 0.000 0.620 304 A CB -0.612 18.410 19.000 0.037 0.000 0.819 304 A HN 0.677 nan 8.150 nan 0.000 0.442 305 L N 0.337 121.593 121.223 0.056 0.000 2.042 305 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 305 L C 2.073 178.984 176.870 0.067 0.000 1.076 305 L CA 2.442 57.320 54.840 0.063 0.000 0.749 305 L CB -0.874 41.225 42.059 0.067 0.000 0.893 305 L HN 0.540 nan 8.230 nan 0.000 0.432 306 E N -1.216 119.025 120.200 0.069 0.000 2.072 306 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 306 E C 2.258 178.906 176.600 0.081 0.000 0.985 306 E CA 1.273 57.722 56.400 0.080 0.000 0.801 306 E CB -0.238 29.504 29.700 0.070 0.000 0.750 306 E HN 0.541 nan 8.360 nan 0.000 0.452 307 S N 0.499 116.237 115.700 0.063 0.000 2.383 307 S HA -0.153 4.316 4.470 -0.000 0.000 0.229 307 S C 1.964 176.599 174.600 0.058 0.000 1.030 307 S CA 0.843 59.077 58.200 0.057 0.000 1.002 307 S CB -0.204 63.022 63.200 0.043 0.000 0.829 307 S HN 0.170 nan 8.310 nan 0.000 0.467 308 I N 1.100 121.704 120.570 0.056 0.000 2.142 308 I HA -0.181 3.989 4.170 -0.000 0.000 0.240 308 I C 2.243 178.387 176.117 0.045 0.000 1.078 308 I CA 1.249 62.579 61.300 0.050 0.000 1.343 308 I CB -0.397 37.640 38.000 0.061 0.000 1.046 308 I HN 0.299 nan 8.210 nan 0.000 0.405 309 L N 0.238 121.493 121.223 0.054 0.000 2.131 309 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 309 L C 2.682 179.640 176.870 0.147 0.000 1.092 309 L CA 1.085 55.948 54.840 0.039 0.000 0.759 309 L CB -0.640 41.472 42.059 0.090 0.000 0.903 309 L HN 0.352 nan 8.230 nan 0.000 0.435 310 E N 0.906 121.209 120.200 0.172 0.000 2.047 310 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 310 E C 2.282 178.975 176.600 0.155 0.000 0.987 310 E CA 1.346 57.868 56.400 0.203 0.000 0.799 310 E CB 0.106 29.879 29.700 0.122 0.000 0.752 310 E HN 0.271 nan 8.360 nan 0.000 0.449 311 R N -0.354 120.198 120.500 0.086 0.000 2.120 311 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 311 R C 2.359 178.682 176.300 0.039 0.000 1.123 311 R CA 1.289 57.423 56.100 0.056 0.000 0.975 311 R CB -0.828 29.491 30.300 0.031 0.000 0.866 311 R HN 0.295 nan 8.270 nan 0.000 0.446 312 G N -0.919 107.882 108.800 0.002 0.000 2.408 312 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 312 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 312 G C 1.074 175.914 174.900 -0.100 0.000 1.150 312 G CA 0.464 45.511 45.100 -0.088 0.000 0.776 312 G HN 0.205 nan 8.290 nan 0.000 0.542 313 F N 0.935 120.887 119.950 0.002 0.000 2.163 313 F HA 0.070 4.597 4.527 -0.000 0.000 0.297 313 F C 2.594 178.395 175.800 0.002 0.000 1.094 313 F CA 1.402 59.402 58.000 -0.000 0.000 1.290 313 F CB -0.276 38.726 39.000 0.002 0.000 1.017 313 F HN 0.177 nan 8.300 nan 0.000 0.483 314 E N 0.738 121.056 120.200 0.196 0.000 2.077 314 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 314 E C 1.383 178.026 176.600 0.071 0.000 0.989 314 E CA 1.838 58.303 56.400 0.109 0.000 0.800 314 E CB -0.460 29.287 29.700 0.078 0.000 0.746 314 E HN 0.215 nan 8.360 nan 0.000 0.452 315 D N -0.959 119.470 120.400 0.050 0.000 2.363 315 D HA 0.104 4.744 4.640 -0.000 0.000 0.226 315 D C 1.002 177.314 176.300 0.019 0.000 1.020 315 D CA 1.032 55.046 54.000 0.023 0.000 0.892 315 D CB 0.013 40.816 40.800 0.005 0.000 0.900 315 D HN 0.385 nan 8.370 nan 0.000 0.531 316 G N 1.225 110.047 108.800 0.036 0.000 2.148 316 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 316 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 316 G C 1.030 175.926 174.900 -0.006 0.000 0.981 316 G CA 0.616 45.736 45.100 0.033 0.000 0.670 316 G HN 0.529 nan 8.290 nan 0.000 0.528 317 I N -2.692 117.851 120.570 -0.045 0.000 3.228 317 I HA 0.445 4.615 4.170 -0.000 0.000 0.279 317 I C 0.574 176.602 176.117 -0.148 0.000 1.221 317 I CA -0.116 61.139 61.300 -0.075 0.000 1.458 317 I CB 0.219 38.182 38.000 -0.062 0.000 1.105 317 I HN -0.030 nan 8.210 nan 0.000 0.445 318 V N 2.178 121.938 119.914 -0.257 0.000 2.394 318 V HA 0.179 4.299 4.120 -0.000 0.000 0.282 318 V C 1.081 176.946 176.094 -0.380 0.000 1.031 318 V CA -0.258 61.764 62.300 -0.464 0.000 0.881 318 V CB 1.820 33.103 31.823 -0.900 0.000 0.982 318 V HN 0.132 nan 8.190 nan 0.000 0.451 319 V N 2.918 122.659 119.914 -0.287 0.000 2.672 319 V HA 0.194 4.314 4.120 -0.000 0.000 0.242 319 V C 0.365 176.482 176.094 0.038 0.000 1.059 319 V CA 0.956 63.210 62.300 -0.077 0.000 1.081 319 V CB 0.178 31.959 31.823 -0.071 0.000 0.752 319 V HN 0.939 nan 8.190 nan 0.000 0.472 320 D N -1.601 118.684 120.400 -0.191 0.000 2.655 320 D HA 0.689 5.329 4.640 -0.000 0.000 0.229 320 D C -1.188 175.078 176.300 -0.058 0.000 1.229 320 D CA 0.250 54.264 54.000 0.024 0.000 0.807 320 D CB 2.246 43.071 40.800 0.043 0.000 1.514 320 D HN 0.297 nan 8.370 nan 0.000 0.444 321 A N 0.795 123.689 122.820 0.123 0.000 2.547 321 A HA 0.803 5.123 4.320 -0.000 0.000 0.297 321 A C -1.580 176.095 177.584 0.152 0.000 1.056 321 A CA -0.247 51.842 52.037 0.087 0.000 0.688 321 A CB 1.682 20.718 19.000 0.059 0.000 1.282 321 A HN 0.734 nan 8.150 nan 0.000 0.400 322 A N 2.499 125.416 122.820 0.162 0.000 2.323 322 A HA 0.673 4.993 4.320 -0.000 0.000 0.305 322 A C -0.583 177.191 177.584 0.317 0.000 1.275 322 A CA -0.277 51.901 52.037 0.236 0.000 0.804 322 A CB 0.028 19.198 19.000 0.283 0.000 1.152 322 A HN 0.733 nan 8.150 nan 0.000 0.487 323 I N 2.744 123.451 120.570 0.229 0.000 2.352 323 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 323 I C 1.135 177.343 176.117 0.152 0.000 1.036 323 I CA -0.219 61.202 61.300 0.203 0.000 1.336 323 I CB 1.478 39.555 38.000 0.129 0.000 1.407 323 I HN 0.738 nan 8.210 nan 0.000 0.497 324 A N 5.757 128.637 122.820 0.101 0.000 2.565 324 A HA 0.035 4.355 4.320 -0.000 0.000 0.237 324 A C 0.676 178.226 177.584 -0.057 0.000 1.053 324 A CA 0.126 52.072 52.037 -0.153 0.000 0.755 324 A CB -0.067 18.757 19.000 -0.292 0.000 0.980 324 A HN 0.809 nan 8.150 nan 0.000 0.506 325 N N -0.130 118.526 118.700 -0.074 0.000 2.187 325 N HA 0.144 4.884 4.740 -0.000 0.000 0.212 325 N C -0.439 175.050 175.510 -0.035 0.000 1.152 325 N CA 0.810 53.843 53.050 -0.030 0.000 0.872 325 N CB 0.400 38.880 38.487 -0.011 0.000 1.025 325 N HN 0.824 nan 8.380 nan 0.000 0.514 326 S N -2.700 112.964 115.700 -0.061 0.000 2.611 326 S HA 0.309 4.779 4.470 -0.000 0.000 0.268 326 S C 0.689 175.260 174.600 -0.050 0.000 1.156 326 S CA -0.718 57.456 58.200 -0.043 0.000 0.817 326 S CB 1.050 64.227 63.200 -0.040 0.000 1.122 326 S HN -0.248 nan 8.310 nan 0.000 0.466 327 V N 1.502 121.402 119.914 -0.023 0.000 2.427 327 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 327 V C 3.480 179.564 176.094 -0.016 0.000 1.051 327 V CA 2.816 65.111 62.300 -0.008 0.000 1.048 327 V CB -1.703 30.123 31.823 0.005 0.000 0.666 327 V HN 1.006 nan 8.190 nan 0.000 0.456 328 Q N -0.429 119.355 119.800 -0.026 0.000 2.084 328 Q HA -0.322 4.018 4.340 -0.000 0.000 0.202 328 Q C 2.150 178.114 176.000 -0.059 0.000 0.978 328 Q CA 2.318 58.107 55.803 -0.024 0.000 0.844 328 Q CB -0.721 28.005 28.738 -0.021 0.000 0.898 328 Q HN 0.760 nan 8.270 nan 0.000 0.426 329 Q N -0.777 118.946 119.800 -0.128 0.000 2.079 329 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 329 Q C 2.387 178.123 176.000 -0.439 0.000 0.974 329 Q CA 1.423 57.056 55.803 -0.283 0.000 0.840 329 Q CB 0.024 28.555 28.738 -0.346 0.000 0.898 329 Q HN 0.831 nan 8.270 nan 0.000 0.430 330 Q N -0.033 119.603 119.800 -0.274 0.000 2.061 330 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 330 Q C 2.136 178.221 176.000 0.141 0.000 0.984 330 Q CA 1.770 57.514 55.803 -0.098 0.000 0.846 330 Q CB -0.053 28.726 28.738 0.067 0.000 0.902 330 Q HN 0.484 nan 8.270 nan 0.000 0.421 331 Q N -0.090 119.780 119.800 0.118 0.000 2.135 331 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 331 Q C 2.067 178.183 176.000 0.193 0.000 0.981 331 Q CA 1.352 57.261 55.803 0.177 0.000 0.856 331 Q CB -0.218 28.578 28.738 0.096 0.000 0.902 331 Q HN 0.382 nan 8.270 nan 0.000 0.425 332 A N 0.529 123.420 122.820 0.118 0.000 1.877 332 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 332 A C 1.738 179.502 177.584 0.301 0.000 1.186 332 A CA 1.123 53.251 52.037 0.153 0.000 0.620 332 A CB -0.669 18.385 19.000 0.091 0.000 0.822 332 A HN 0.272 nan 8.150 nan 0.000 0.443 333 F N -1.460 118.542 119.950 0.087 0.000 2.065 333 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 333 F C 2.187 177.990 175.800 0.004 0.000 1.112 333 F CA 0.522 58.569 58.000 0.078 0.000 1.212 333 F CB -1.448 37.538 39.000 -0.024 0.000 0.975 333 F HN 0.417 nan 8.300 nan 0.000 0.476 334 W N 0.446 121.923 121.300 0.294 0.000 2.402 334 W HA -0.102 4.558 4.660 -0.000 0.000 0.286 334 W C 2.548 179.137 176.519 0.117 0.000 1.221 334 W CA 1.120 58.560 57.345 0.158 0.000 1.257 334 W CB -0.430 29.095 29.460 0.108 0.000 1.120 334 W HN -0.069 nan 8.180 nan 0.000 0.551 335 K N 0.913 121.504 120.400 0.318 0.000 2.026 335 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 335 K C 2.003 178.691 176.600 0.146 0.000 1.048 335 K CA 1.492 57.898 56.287 0.198 0.000 0.929 335 K CB -0.567 32.018 32.500 0.142 0.000 0.713 335 K HN 0.193 nan 8.250 nan 0.000 0.439 336 L N 0.918 122.220 121.223 0.131 0.000 1.989 336 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 336 L C 2.655 179.549 176.870 0.040 0.000 1.071 336 L CA 1.712 56.586 54.840 0.057 0.000 0.749 336 L CB -0.365 41.708 42.059 0.023 0.000 0.890 336 L HN 0.174 nan 8.230 nan 0.000 0.431 337 R N 0.526 121.072 120.500 0.078 0.000 2.073 337 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 337 R C 1.998 178.347 176.300 0.081 0.000 1.134 337 R CA 2.120 58.248 56.100 0.046 0.000 0.952 337 R CB -0.549 29.769 30.300 0.030 0.000 0.850 337 R HN 0.509 nan 8.270 nan 0.000 0.433 338 E N -0.093 120.212 120.200 0.176 0.000 2.347 338 E HA -0.111 4.239 4.350 -0.000 0.000 0.196 338 E C 1.006 177.651 176.600 0.075 0.000 1.008 338 E CA 0.993 57.484 56.400 0.152 0.000 0.852 338 E CB 0.102 29.912 29.700 0.183 0.000 0.783 338 E HN 0.527 nan 8.360 nan 0.000 0.505 339 E N 0.120 120.347 120.200 0.045 0.000 2.463 339 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 339 E C 1.512 178.098 176.600 -0.022 0.000 1.041 339 E CA -0.199 56.215 56.400 0.023 0.000 0.879 339 E CB 0.310 30.031 29.700 0.035 0.000 0.997 339 E HN 0.276 nan 8.360 nan 0.000 0.478 340 I N 0.707 121.214 120.570 -0.106 0.000 2.208 340 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 340 I C 2.594 178.637 176.117 -0.124 0.000 1.097 340 I CA 0.897 62.061 61.300 -0.227 0.000 1.363 340 I CB -0.290 37.322 38.000 -0.647 0.000 1.051 340 I HN 0.124 nan 8.210 nan 0.000 0.413 341 S N 1.370 117.038 115.700 -0.054 0.000 2.365 341 S HA -0.118 4.352 4.470 -0.000 0.000 0.221 341 S C -0.136 174.497 174.600 0.057 0.000 1.037 341 S CA 2.081 60.319 58.200 0.063 0.000 1.060 341 S CB -1.220 62.042 63.200 0.104 0.000 0.974 341 S HN 0.232 nan 8.310 nan 0.000 0.427 342 P HA 0.152 nan 4.420 nan 0.000 0.225 342 P C 1.123 178.424 177.300 0.002 0.000 1.156 342 P CA 1.217 64.332 63.100 0.024 0.000 0.787 342 P CB -0.312 31.403 31.700 0.025 0.000 0.802 343 A N 0.059 122.890 122.820 0.017 0.000 2.178 343 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 343 A C 2.243 179.799 177.584 -0.047 0.000 1.157 343 A CA 1.155 53.209 52.037 0.028 0.000 0.689 343 A CB -0.992 18.064 19.000 0.094 0.000 0.787 343 A HN 0.230 nan 8.150 nan 0.000 0.465 344 Q N -0.442 119.357 119.800 -0.002 0.000 2.163 344 Q HA -0.071 4.269 4.340 -0.000 0.000 0.198 344 Q C 1.830 177.734 176.000 -0.161 0.000 0.954 344 Q CA 1.160 56.953 55.803 -0.018 0.000 0.851 344 Q CB -0.124 28.685 28.738 0.118 0.000 0.928 344 Q HN 0.631 nan 8.270 nan 0.000 0.459 345 K N 0.607 120.941 120.400 -0.109 0.000 2.077 345 K HA -0.194 4.126 4.320 -0.000 0.000 0.213 345 K C -0.803 175.681 176.600 -0.192 0.000 1.051 345 K CA 1.732 57.954 56.287 -0.108 0.000 0.929 345 K CB -0.940 31.525 32.500 -0.060 0.000 0.715 345 K HN 0.283 nan 8.250 nan 0.000 0.451 346 P HA -0.067 nan 4.420 nan 0.000 0.241 346 P C 0.450 177.466 177.300 -0.473 0.000 1.191 346 P CA 1.037 63.912 63.100 -0.375 0.000 0.771 346 P CB 0.314 31.736 31.700 -0.462 0.000 0.929 347 E N 0.168 120.032 120.200 -0.561 0.000 2.479 347 E HA 0.319 4.669 4.350 -0.000 0.000 0.193 347 E C 0.903 177.319 176.600 -0.306 0.000 1.049 347 E CA 0.382 56.455 56.400 -0.545 0.000 0.870 347 E CB -0.057 29.076 29.700 -0.946 0.000 0.944 347 E HN 0.253 nan 8.360 nan 0.000 0.492 348 G N -1.514 107.154 108.800 -0.219 0.000 2.352 348 G HA2 0.037 3.997 3.960 -0.000 0.000 0.324 348 G HA3 0.037 3.997 3.960 -0.000 0.000 0.324 348 G C 0.157 175.016 174.900 -0.067 0.000 1.249 348 G CA -0.637 44.380 45.100 -0.139 0.000 1.053 348 G HN 0.360 nan 8.290 nan 0.000 0.492 349 G N -0.579 108.208 108.800 -0.022 0.000 2.483 349 G HA2 0.574 4.534 3.960 -0.000 0.000 0.248 349 G HA3 0.574 4.534 3.960 -0.000 0.000 0.248 349 G C 0.123 175.119 174.900 0.160 0.000 1.248 349 G CA 1.227 46.404 45.100 0.128 0.000 0.838 349 G HN 1.559 nan 8.290 nan 0.000 0.566 350 S N 0.727 116.559 115.700 0.219 0.000 2.594 350 S HA 0.517 4.987 4.470 -0.000 0.000 0.296 350 S C -0.368 174.259 174.600 0.046 0.000 1.124 350 S CA -0.704 57.601 58.200 0.175 0.000 1.011 350 S CB 0.694 63.965 63.200 0.118 0.000 1.016 350 S HN 0.439 nan 8.310 nan 0.000 0.485 351 I N 5.006 125.494 120.570 -0.136 0.000 2.304 351 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 351 I C -0.022 175.658 176.117 -0.728 0.000 1.018 351 I CA -0.398 60.376 61.300 -0.877 0.000 1.260 351 I CB 1.110 38.609 38.000 -0.835 0.000 1.390 351 I HN 0.417 nan 8.210 nan 0.000 0.475 352 K N 5.603 125.458 120.400 -0.908 0.000 2.164 352 K HA 0.656 4.976 4.320 -0.000 0.000 0.258 352 K C -1.215 175.096 176.600 -0.482 0.000 0.951 352 K CA -0.875 55.210 56.287 -0.337 0.000 0.844 352 K CB 1.695 34.224 32.500 0.049 0.000 1.099 352 K HN 0.508 nan 8.250 nan 0.000 0.435 353 H N 0.150 119.269 119.070 0.082 0.000 2.947 353 H HA 0.124 4.680 4.556 -0.000 0.000 0.354 353 H C -1.646 173.740 175.328 0.096 0.000 1.085 353 H CA -0.795 55.341 56.048 0.146 0.000 1.253 353 H CB 1.753 31.587 29.762 0.120 0.000 1.757 353 H HN 0.568 nan 8.280 nan 0.000 0.523 354 D N 3.674 124.170 120.400 0.161 0.000 2.477 354 D HA 0.314 4.954 4.640 -0.000 0.000 0.239 354 D C -0.711 175.533 176.300 -0.093 0.000 1.102 354 D CA -0.580 53.330 54.000 -0.149 0.000 0.901 354 D CB 0.208 40.768 40.800 -0.399 0.000 1.026 354 D HN 0.416 nan 8.370 nan 0.000 0.515 355 I N 0.275 120.786 120.570 -0.099 0.000 3.023 355 I HA 0.808 4.978 4.170 -0.000 0.000 0.312 355 I C -0.545 175.427 176.117 -0.241 0.000 1.056 355 I CA -0.969 60.253 61.300 -0.130 0.000 1.033 355 I CB 1.945 39.870 38.000 -0.125 0.000 1.233 355 I HN 0.210 nan 8.210 nan 0.000 0.462 356 S N 1.822 117.375 115.700 -0.245 0.000 2.569 356 S HA 0.951 5.421 4.470 -0.000 0.000 0.280 356 S C -0.637 173.808 174.600 -0.259 0.000 1.111 356 S CA -0.165 57.894 58.200 -0.236 0.000 0.887 356 S CB 1.436 64.549 63.200 -0.144 0.000 1.095 356 S HN 1.831 nan 8.310 nan 0.000 0.476 357 V N -2.728 117.048 119.914 -0.231 0.000 3.159 357 V HA 0.800 4.920 4.120 -0.000 0.000 0.308 357 V C -3.252 172.775 176.094 -0.113 0.000 1.190 357 V CA -2.787 59.405 62.300 -0.180 0.000 1.037 357 V CB 0.729 32.428 31.823 -0.206 0.000 1.060 357 V HN 0.721 nan 8.190 nan 0.000 0.437 358 P HA 0.179 nan 4.420 nan 0.000 0.266 358 P C 1.161 178.425 177.300 -0.059 0.000 1.195 358 P CA 0.175 63.237 63.100 -0.063 0.000 0.768 358 P CB 0.783 32.452 31.700 -0.052 0.000 0.838 359 V N 3.305 123.185 119.914 -0.056 0.000 2.278 359 V HA -0.353 3.767 4.120 -0.000 0.000 0.251 359 V C 2.342 178.403 176.094 -0.055 0.000 1.062 359 V CA 2.786 65.052 62.300 -0.056 0.000 1.038 359 V CB -1.652 30.132 31.823 -0.066 0.000 0.646 359 V HN 0.715 nan 8.190 nan 0.000 0.447 360 A N -0.520 122.267 122.820 -0.054 0.000 2.076 360 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 360 A C 2.145 179.704 177.584 -0.041 0.000 1.160 360 A CA 1.897 53.904 52.037 -0.051 0.000 0.653 360 A CB -0.497 18.475 19.000 -0.047 0.000 0.801 360 A HN 0.673 nan 8.150 nan 0.000 0.455 361 A N -1.078 121.722 122.820 -0.033 0.000 2.308 361 A HA 0.396 4.716 4.320 -0.000 0.000 0.217 361 A C 1.809 179.403 177.584 0.016 0.000 1.216 361 A CA 0.656 52.686 52.037 -0.013 0.000 0.864 361 A CB -0.292 18.701 19.000 -0.012 0.000 0.902 361 A HN 0.235 nan 8.150 nan 0.000 0.499 362 V N 1.089 121.004 119.914 0.001 0.000 2.332 362 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 362 V C -0.238 175.881 176.094 0.042 0.000 1.055 362 V CA 2.647 64.972 62.300 0.041 0.000 1.038 362 V CB -1.223 30.605 31.823 0.009 0.000 0.651 362 V HN 0.379 nan 8.190 nan 0.000 0.450 363 P HA -0.158 nan 4.420 nan 0.000 0.216 363 P C 1.770 179.038 177.300 -0.054 0.000 1.153 363 P CA 1.360 64.401 63.100 -0.099 0.000 0.848 363 P CB -0.051 31.578 31.700 -0.118 0.000 0.787 364 Q N -1.782 118.008 119.800 -0.017 0.000 2.084 364 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 364 Q C 2.052 178.053 176.000 0.002 0.000 0.978 364 Q CA 1.256 57.052 55.803 -0.011 0.000 0.844 364 Q CB -0.753 27.986 28.738 0.002 0.000 0.898 364 Q HN 0.209 nan 8.270 nan 0.000 0.426 365 F N 1.243 121.142 119.950 -0.085 0.000 2.075 365 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 365 F C 1.852 177.582 175.800 -0.117 0.000 1.113 365 F CA 1.379 59.315 58.000 -0.108 0.000 1.218 365 F CB -0.282 38.653 39.000 -0.108 0.000 0.984 365 F HN -0.049 nan 8.300 nan 0.000 0.472 366 I N 0.412 120.856 120.570 -0.210 0.000 2.127 366 I HA -0.305 3.865 4.170 -0.000 0.000 0.241 366 I C 2.644 178.651 176.117 -0.184 0.000 1.075 366 I CA 1.863 63.035 61.300 -0.213 0.000 1.334 366 I CB -0.741 37.289 38.000 0.050 0.000 1.040 366 I HN 0.271 nan 8.210 nan 0.000 0.405 367 E N 1.135 121.266 120.200 -0.115 0.000 2.058 367 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 367 E C 2.101 178.632 176.600 -0.115 0.000 0.997 367 E CA 1.874 58.233 56.400 -0.068 0.000 0.801 367 E CB -0.135 29.532 29.700 -0.055 0.000 0.746 367 E HN 0.583 nan 8.360 nan 0.000 0.450 368 Q N -0.288 119.406 119.800 -0.177 0.000 2.083 368 Q HA -0.033 4.307 4.340 -0.000 0.000 0.198 368 Q C 2.223 178.063 176.000 -0.267 0.000 0.969 368 Q CA 1.218 56.914 55.803 -0.179 0.000 0.838 368 Q CB -0.137 28.514 28.738 -0.146 0.000 0.900 368 Q HN 0.328 nan 8.270 nan 0.000 0.436 369 A N 1.708 124.215 122.820 -0.522 0.000 1.877 369 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 369 A C 1.783 179.209 177.584 -0.263 0.000 1.186 369 A CA 1.653 53.293 52.037 -0.661 0.000 0.620 369 A CB -0.549 17.482 19.000 -1.615 0.000 0.822 369 A HN 0.277 nan 8.150 nan 0.000 0.443 370 N N 0.567 119.198 118.700 -0.115 0.000 2.069 370 N HA -0.129 4.611 4.740 -0.000 0.000 0.191 370 N C 1.873 177.392 175.510 0.014 0.000 1.031 370 N CA 1.754 54.840 53.050 0.061 0.000 0.852 370 N CB -0.665 37.877 38.487 0.092 0.000 1.018 370 N HN 0.479 nan 8.380 nan 0.000 0.423 371 A N 0.815 123.618 122.820 -0.029 0.000 1.877 371 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 371 A C 2.355 179.924 177.584 -0.026 0.000 1.186 371 A CA 2.051 54.075 52.037 -0.022 0.000 0.620 371 A CB -0.989 17.993 19.000 -0.031 0.000 0.822 371 A HN 0.321 nan 8.150 nan 0.000 0.443 372 A N -0.625 122.162 122.820 -0.055 0.000 1.902 372 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 372 A C 2.244 179.809 177.584 -0.031 0.000 1.181 372 A CA 1.799 53.804 52.037 -0.053 0.000 0.623 372 A CB -0.963 17.985 19.000 -0.085 0.000 0.818 372 A HN 0.387 nan 8.150 nan 0.000 0.443 373 V N -0.393 119.512 119.914 -0.016 0.000 2.295 373 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 373 V C 2.563 178.683 176.094 0.042 0.000 1.049 373 V CA 2.014 64.332 62.300 0.029 0.000 1.024 373 V CB -0.771 31.116 31.823 0.106 0.000 0.648 373 V HN 0.366 nan 8.190 nan 0.000 0.447 374 V N 0.259 120.197 119.914 0.040 0.000 2.490 374 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 374 V C 2.657 178.767 176.094 0.027 0.000 1.061 374 V CA 1.912 64.235 62.300 0.038 0.000 1.064 374 V CB -1.051 30.790 31.823 0.029 0.000 0.670 374 V HN 0.567 nan 8.190 nan 0.000 0.461 375 A N -0.315 122.514 122.820 0.014 0.000 1.898 375 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 375 A C 2.148 179.739 177.584 0.013 0.000 1.181 375 A CA 1.986 54.028 52.037 0.009 0.000 0.620 375 A CB -0.504 18.495 19.000 -0.002 0.000 0.819 375 A HN 0.448 nan 8.150 nan 0.000 0.442 376 L N -0.563 120.666 121.223 0.011 0.000 1.994 376 L HA 0.122 4.461 4.340 -0.000 0.000 0.208 376 L C 0.546 177.435 176.870 0.032 0.000 1.071 376 L CA 1.694 56.541 54.840 0.011 0.000 0.745 376 L CB -0.086 41.970 42.059 -0.005 0.000 0.892 376 L HN 0.357 nan 8.230 nan 0.000 0.431 377 I N 0.598 121.202 120.570 0.056 0.000 2.537 377 I HA 0.279 4.449 4.170 -0.000 0.000 0.276 377 I C -2.309 173.857 176.117 0.082 0.000 1.063 377 I CA -1.907 59.450 61.300 0.094 0.000 1.144 377 I CB 1.040 39.147 38.000 0.178 0.000 1.252 377 I HN 0.000 nan 8.210 nan 0.000 0.480 378 P HA 0.102 nan 4.420 nan 0.000 0.265 378 P C 1.030 178.352 177.300 0.037 0.000 1.193 378 P CA 0.723 63.847 63.100 0.040 0.000 0.765 378 P CB 0.765 32.482 31.700 0.029 0.000 0.823 379 G N 1.404 110.218 108.800 0.023 0.000 2.199 379 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 379 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 379 G C 0.478 175.375 174.900 -0.006 0.000 0.982 379 G CA 0.030 45.133 45.100 0.005 0.000 0.632 379 G HN 0.856 nan 8.290 nan 0.000 0.529 380 A N 0.067 122.902 122.820 0.026 0.000 2.483 380 A HA 0.653 4.973 4.320 -0.000 0.000 0.238 380 A C 0.717 178.304 177.584 0.005 0.000 1.070 380 A CA 0.453 52.506 52.037 0.026 0.000 0.770 380 A CB 0.219 19.314 19.000 0.158 0.000 1.008 380 A HN 0.531 nan 8.150 nan 0.000 0.497 381 R N 2.266 122.752 120.500 -0.023 0.000 2.275 381 R HA 0.349 4.689 4.340 -0.000 0.000 0.326 381 R C -2.874 173.399 176.300 -0.045 0.000 0.973 381 R CA -1.653 54.433 56.100 -0.023 0.000 0.854 381 R CB 1.313 31.614 30.300 0.002 0.000 1.156 381 R HN 0.444 nan 8.270 nan 0.000 0.487 382 P HA 0.016 nan 4.420 nan 0.000 0.271 382 P C -0.588 176.600 177.300 -0.186 0.000 1.216 382 P CA -0.141 62.872 63.100 -0.145 0.000 0.771 382 P CB 0.896 32.565 31.700 -0.052 0.000 0.864 383 V N 5.864 125.645 119.914 -0.223 0.000 2.315 383 V HA 0.295 4.415 4.120 -0.000 0.000 0.265 383 V C -2.231 173.865 176.094 0.003 0.000 1.019 383 V CA -1.492 60.735 62.300 -0.121 0.000 0.824 383 V CB 1.191 32.995 31.823 -0.031 0.000 1.072 383 V HN 0.535 nan 8.190 nan 0.000 0.448 384 P HA 0.713 nan 4.420 nan 0.000 0.303 384 P C -1.187 176.370 177.300 0.429 0.000 1.350 384 P CA -0.481 62.750 63.100 0.219 0.000 0.880 384 P CB 1.717 33.640 31.700 0.373 0.000 1.018 385 F N 0.026 120.086 119.950 0.184 0.000 2.678 385 F HA 0.893 5.420 4.527 -0.000 0.000 0.308 385 F C -0.479 175.402 175.800 0.136 0.000 1.118 385 F CA -0.831 57.264 58.000 0.159 0.000 0.959 385 F CB 1.223 40.262 39.000 0.066 0.000 1.305 385 F HN 0.700 nan 8.300 nan 0.000 0.443 386 G N 0.099 108.986 108.800 0.144 0.000 2.325 386 G HA2 0.337 4.297 3.960 -0.000 0.000 0.295 386 G HA3 0.337 4.297 3.960 -0.000 0.000 0.295 386 G C -2.347 172.520 174.900 -0.054 0.000 1.274 386 G CA -1.059 43.957 45.100 -0.139 0.000 0.857 386 G HN 0.975 nan 8.290 nan 0.000 0.499 387 H N 1.486 120.669 119.070 0.189 0.000 2.821 387 H HA 0.298 4.854 4.556 -0.000 0.000 0.262 387 H C 1.323 176.731 175.328 0.133 0.000 1.402 387 H CA -0.625 55.525 56.048 0.169 0.000 1.293 387 H CB 1.277 31.123 29.762 0.141 0.000 1.533 387 H HN 0.303 nan 8.280 nan 0.000 0.528 388 L N 2.984 124.358 121.223 0.251 0.000 2.187 388 L HA -0.041 4.299 4.340 -0.000 0.000 0.213 388 L C 2.185 179.102 176.870 0.079 0.000 1.100 388 L CA 1.755 56.694 54.840 0.164 0.000 0.765 388 L CB -0.670 41.530 42.059 0.235 0.000 0.904 388 L HN 0.702 nan 8.230 nan 0.000 0.437 389 G N -0.867 107.995 108.800 0.104 0.000 2.509 389 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 389 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 389 G C 0.762 175.663 174.900 0.002 0.000 1.124 389 G CA 0.834 45.932 45.100 -0.003 0.000 0.776 389 G HN 0.652 nan 8.290 nan 0.000 0.547 390 D N -2.872 117.559 120.400 0.052 0.000 2.513 390 D HA 0.272 4.912 4.640 -0.000 0.000 0.222 390 D C 1.479 177.788 176.300 0.016 0.000 1.210 390 D CA 0.236 54.252 54.000 0.027 0.000 0.825 390 D CB -0.381 40.441 40.800 0.037 0.000 1.037 390 D HN 0.265 nan 8.370 nan 0.000 0.506 391 G N 1.014 109.822 108.800 0.013 0.000 2.166 391 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 391 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 391 G C -0.082 174.784 174.900 -0.056 0.000 0.986 391 G CA 0.261 45.343 45.100 -0.029 0.000 0.683 391 G HN 0.649 nan 8.290 nan 0.000 0.527 392 N N 0.285 118.982 118.700 -0.004 0.000 2.420 392 N HA 0.464 5.204 4.740 -0.000 0.000 0.249 392 N C -0.303 175.136 175.510 -0.118 0.000 1.033 392 N CA -0.766 52.251 53.050 -0.056 0.000 0.944 392 N CB 0.192 38.713 38.487 0.057 0.000 1.113 392 N HN 0.021 nan 8.380 nan 0.000 0.502 393 I N 3.825 124.298 120.570 -0.162 0.000 2.378 393 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 393 I C 0.212 176.236 176.117 -0.154 0.000 0.992 393 I CA -0.681 60.561 61.300 -0.096 0.000 1.154 393 I CB 1.253 39.290 38.000 0.061 0.000 1.315 393 I HN 0.492 nan 8.210 nan 0.000 0.448 394 H N 6.514 125.386 119.070 -0.330 0.000 3.004 394 H HA 0.065 4.621 4.556 -0.000 0.000 0.267 394 H C -1.045 174.136 175.328 -0.245 0.000 1.165 394 H CA 0.027 55.835 56.048 -0.401 0.000 1.450 394 H CB 0.448 29.646 29.762 -0.939 0.000 1.488 394 H HN 0.411 nan 8.280 nan 0.000 0.478 395 Y N 5.188 125.496 120.300 0.015 0.000 2.504 395 Y HA 0.146 4.696 4.550 -0.000 0.000 0.339 395 Y C -0.674 175.301 175.900 0.124 0.000 0.974 395 Y CA -0.835 57.347 58.100 0.137 0.000 1.232 395 Y CB 0.019 38.670 38.460 0.318 0.000 1.108 395 Y HN 0.514 nan 8.280 nan 0.000 0.509 396 N N 3.682 122.199 118.700 -0.304 0.000 2.362 396 N HA 0.602 5.342 4.740 -0.000 0.000 0.299 396 N C -1.559 173.771 175.510 -0.301 0.000 1.170 396 N CA -0.654 52.289 53.050 -0.178 0.000 0.825 396 N CB 2.377 40.877 38.487 0.021 0.000 1.299 396 N HN 0.260 nan 8.380 nan 0.000 0.502 397 V N 0.628 120.467 119.914 -0.124 0.000 2.483 397 V HA 0.388 4.508 4.120 -0.000 0.000 0.297 397 V C -0.093 176.072 176.094 0.118 0.000 1.027 397 V CA -0.694 61.594 62.300 -0.020 0.000 0.855 397 V CB 1.591 33.466 31.823 0.086 0.000 0.995 397 V HN 0.582 nan 8.190 nan 0.000 0.424 398 S N 3.549 119.275 115.700 0.042 0.000 2.585 398 S HA 0.403 4.873 4.470 -0.000 0.000 0.277 398 S C -0.008 174.372 174.600 -0.367 0.000 1.241 398 S CA -0.652 57.526 58.200 -0.037 0.000 1.041 398 S CB 1.237 64.491 63.200 0.090 0.000 0.987 398 S HN 0.894 nan 8.310 nan 0.000 0.512 399 Q N 1.641 120.934 119.800 -0.844 0.000 2.479 399 Q HA 0.211 4.551 4.340 -0.000 0.000 0.267 399 Q C -2.644 172.994 176.000 -0.603 0.000 1.071 399 Q CA -1.160 53.765 55.803 -1.463 0.000 0.935 399 Q CB -0.649 27.417 28.738 -1.121 0.000 1.295 399 Q HN 0.190 nan 8.270 nan 0.000 0.476 400 P HA -0.020 nan 4.420 nan 0.000 0.269 400 P C -0.829 176.378 177.300 -0.155 0.000 1.215 400 P CA -0.361 62.626 63.100 -0.190 0.000 0.780 400 P CB 0.464 32.105 31.700 -0.099 0.000 0.898 401 V N 2.497 122.355 119.914 -0.094 0.000 2.493 401 V HA 0.263 4.383 4.120 -0.000 0.000 0.292 401 V C 1.701 177.757 176.094 -0.063 0.000 1.016 401 V CA 1.828 64.082 62.300 -0.076 0.000 1.097 401 V CB -0.626 31.169 31.823 -0.045 0.000 0.947 401 V HN 1.049 nan 8.190 nan 0.000 0.479 402 G N 3.634 112.394 108.800 -0.066 0.000 2.234 402 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.235 402 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.235 402 G C 0.505 175.383 174.900 -0.038 0.000 0.997 402 G CA 0.204 45.277 45.100 -0.045 0.000 0.623 402 G HN 1.452 nan 8.290 nan 0.000 0.514 403 A N 0.161 122.951 122.820 -0.051 0.000 2.386 403 A HA 0.512 4.832 4.320 -0.000 0.000 0.246 403 A C 0.369 177.949 177.584 -0.006 0.000 1.089 403 A CA 0.832 52.856 52.037 -0.022 0.000 0.790 403 A CB 0.141 19.127 19.000 -0.025 0.000 1.042 403 A HN 0.726 nan 8.150 nan 0.000 0.497 404 D N -0.267 120.151 120.400 0.031 0.000 2.383 404 D HA 0.097 4.737 4.640 -0.000 0.000 0.252 404 D C 1.104 177.450 176.300 0.077 0.000 1.166 404 D CA 0.201 54.227 54.000 0.043 0.000 0.879 404 D CB 0.829 41.660 40.800 0.051 0.000 1.164 404 D HN 0.521 nan 8.370 nan 0.000 0.462 405 K N 3.137 123.574 120.400 0.061 0.000 2.057 405 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 405 K C 1.642 178.332 176.600 0.151 0.000 1.049 405 K CA 1.347 57.693 56.287 0.098 0.000 0.931 405 K CB -0.049 32.485 32.500 0.056 0.000 0.714 405 K HN 0.505 nan 8.250 nan 0.000 0.440 406 A N 1.198 124.082 122.820 0.106 0.000 1.873 406 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 406 A C 1.883 179.534 177.584 0.112 0.000 1.186 406 A CA 1.535 53.630 52.037 0.097 0.000 0.616 406 A CB -0.526 18.511 19.000 0.062 0.000 0.823 406 A HN 0.444 nan 8.150 nan 0.000 0.442 407 E N -1.294 118.973 120.200 0.112 0.000 2.065 407 E HA -0.251 4.099 4.350 -0.000 0.000 0.201 407 E C 1.793 178.480 176.600 0.145 0.000 1.016 407 E CA 1.674 58.141 56.400 0.112 0.000 0.818 407 E CB -0.329 29.436 29.700 0.108 0.000 0.749 407 E HN 0.664 nan 8.360 nan 0.000 0.453 408 F N 1.267 121.245 119.950 0.047 0.000 2.102 408 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 408 F C 2.027 177.878 175.800 0.084 0.000 1.105 408 F CA 1.275 59.305 58.000 0.050 0.000 1.239 408 F CB -0.177 38.842 39.000 0.032 0.000 0.991 408 F HN -0.064 nan 8.300 nan 0.000 0.474 409 L N -0.127 121.184 121.223 0.147 0.000 2.265 409 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 409 L C 2.614 179.547 176.870 0.105 0.000 1.117 409 L CA 0.896 55.816 54.840 0.133 0.000 0.782 409 L CB -1.023 41.173 42.059 0.227 0.000 0.914 409 L HN 0.289 nan 8.230 nan 0.000 0.441 410 A N -0.396 122.458 122.820 0.057 0.000 2.067 410 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 410 A C 1.979 179.592 177.584 0.049 0.000 1.158 410 A CA 0.844 52.915 52.037 0.057 0.000 0.661 410 A CB -0.225 18.803 19.000 0.047 0.000 0.801 410 A HN 0.246 nan 8.150 nan 0.000 0.452 411 R N -0.846 119.625 120.500 -0.048 0.000 2.328 411 R HA -0.050 4.290 4.340 -0.000 0.000 0.200 411 R C 1.390 177.670 176.300 -0.033 0.000 0.983 411 R CA -0.254 55.801 56.100 -0.075 0.000 1.062 411 R CB -0.758 29.421 30.300 -0.202 0.000 0.956 411 R HN 0.833 nan 8.270 nan 0.000 0.479 412 W N 1.655 122.872 121.300 -0.138 0.000 2.318 412 W HA -0.272 4.388 4.660 -0.000 0.000 0.313 412 W C 1.924 178.452 176.519 0.014 0.000 1.221 412 W CA 1.777 59.075 57.345 -0.078 0.000 1.266 412 W CB -0.542 28.885 29.460 -0.055 0.000 1.150 412 W HN 0.336 nan 8.180 nan 0.000 0.496 413 H N 0.221 119.464 119.070 0.287 0.000 2.353 413 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 413 H C 1.588 176.968 175.328 0.086 0.000 1.090 413 H CA 1.997 58.162 56.048 0.196 0.000 1.327 413 H CB -0.248 29.592 29.762 0.130 0.000 1.383 413 H HN 0.022 nan 8.280 nan 0.000 0.508 414 D N 0.302 120.693 120.400 -0.014 0.000 2.144 414 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 414 D C 2.459 178.664 176.300 -0.158 0.000 0.984 414 D CA 0.819 54.755 54.000 -0.107 0.000 0.834 414 D CB -0.182 40.604 40.800 -0.023 0.000 0.955 414 D HN 0.245 nan 8.370 nan 0.000 0.465 415 V N 0.805 120.634 119.914 -0.142 0.000 2.427 415 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 415 V C 2.497 178.396 176.094 -0.324 0.000 1.051 415 V CA 1.426 63.618 62.300 -0.179 0.000 1.048 415 V CB -0.470 31.256 31.823 -0.162 0.000 0.666 415 V HN 0.129 nan 8.190 nan 0.000 0.456 416 S N -0.618 114.885 115.700 -0.328 0.000 2.370 416 S HA -0.300 4.170 4.470 -0.000 0.000 0.226 416 S C 2.003 176.212 174.600 -0.651 0.000 1.033 416 S CA 1.704 59.492 58.200 -0.687 0.000 1.011 416 S CB -0.307 62.753 63.200 -0.234 0.000 0.852 416 S HN 0.653 nan 8.310 nan 0.000 0.457 417 Q N 0.138 119.719 119.800 -0.364 0.000 2.050 417 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 417 Q C 2.333 178.243 176.000 -0.150 0.000 0.980 417 Q CA 1.477 57.163 55.803 -0.195 0.000 0.840 417 Q CB -0.306 28.315 28.738 -0.194 0.000 0.898 417 Q HN 0.385 nan 8.270 nan 0.000 0.424 418 V N 0.030 119.829 119.914 -0.191 0.000 2.270 418 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 418 V C 2.251 178.242 176.094 -0.171 0.000 1.043 418 V CA 1.433 63.645 62.300 -0.147 0.000 1.014 418 V CB -0.495 31.249 31.823 -0.133 0.000 0.645 418 V HN 0.181 nan 8.190 nan 0.000 0.447 419 V N -0.486 119.247 119.914 -0.302 0.000 2.332 419 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 419 V C 2.270 178.322 176.094 -0.072 0.000 1.055 419 V CA 2.050 64.172 62.300 -0.297 0.000 1.038 419 V CB -0.792 30.695 31.823 -0.559 0.000 0.651 419 V HN 0.441 nan 8.190 nan 0.000 0.450 420 F N 0.494 120.367 119.950 -0.129 0.000 2.293 420 F HA -0.055 4.472 4.527 -0.000 0.000 0.300 420 F C 2.373 178.144 175.800 -0.049 0.000 1.086 420 F CA 1.296 59.250 58.000 -0.077 0.000 1.375 420 F CB -0.823 38.139 39.000 -0.062 0.000 1.045 420 F HN 0.250 nan 8.300 nan 0.000 0.516 421 E N 0.625 120.893 120.200 0.114 0.000 2.107 421 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 421 E C 2.140 178.769 176.600 0.047 0.000 0.982 421 E CA 1.008 57.442 56.400 0.058 0.000 0.809 421 E CB -0.354 29.356 29.700 0.016 0.000 0.756 421 E HN 0.144 nan 8.360 nan 0.000 0.459 422 V N -0.183 119.759 119.914 0.047 0.000 2.307 422 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 422 V C 2.407 178.585 176.094 0.140 0.000 1.045 422 V CA 1.512 63.853 62.300 0.068 0.000 1.024 422 V CB -0.468 31.366 31.823 0.020 0.000 0.651 422 V HN 0.172 nan 8.190 nan 0.000 0.449 423 V N -0.072 119.943 119.914 0.168 0.000 2.287 423 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 423 V C 2.401 178.502 176.094 0.013 0.000 1.053 423 V CA 2.249 64.587 62.300 0.064 0.000 1.027 423 V CB -0.614 31.240 31.823 0.051 0.000 0.646 423 V HN 0.533 nan 8.190 nan 0.000 0.447 424 L N 1.463 122.702 121.223 0.027 0.000 2.017 424 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 424 L C 2.727 179.595 176.870 -0.004 0.000 1.073 424 L CA 2.332 57.170 54.840 -0.004 0.000 0.745 424 L CB -0.815 41.246 42.059 0.003 0.000 0.894 424 L HN 0.462 nan 8.230 nan 0.000 0.432 425 R N -0.424 120.083 120.500 0.011 0.000 2.241 425 R HA -0.102 4.238 4.340 -0.000 0.000 0.224 425 R C 1.524 177.824 176.300 0.001 0.000 1.101 425 R CA 1.601 57.704 56.100 0.004 0.000 0.995 425 R CB -0.728 29.575 30.300 0.006 0.000 0.870 425 R HN 0.476 nan 8.270 nan 0.000 0.463 426 L N 0.507 121.733 121.223 0.005 0.000 2.607 426 L HA 0.326 4.666 4.340 -0.000 0.000 0.228 426 L C 0.623 177.476 176.870 -0.027 0.000 1.123 426 L CA 0.290 55.128 54.840 -0.003 0.000 0.890 426 L CB 0.496 42.567 42.059 0.020 0.000 1.103 426 L HN 0.571 nan 8.230 nan 0.000 0.468 427 G N 0.688 109.468 108.800 -0.033 0.000 2.212 427 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.255 427 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.255 427 G C 0.362 175.223 174.900 -0.064 0.000 1.062 427 G CA 0.009 45.082 45.100 -0.045 0.000 0.815 427 G HN 0.496 nan 8.290 nan 0.000 0.497 428 G N -1.119 107.634 108.800 -0.078 0.000 2.642 428 G HA2 0.761 4.721 3.960 -0.000 0.000 0.291 428 G HA3 0.761 4.721 3.960 -0.000 0.000 0.291 428 G C -0.042 174.789 174.900 -0.115 0.000 1.345 428 G CA 0.415 45.447 45.100 -0.113 0.000 1.043 428 G HN 1.268 nan 8.290 nan 0.000 0.528 429 S N -1.157 114.462 115.700 -0.135 0.000 2.502 429 S HA 0.291 4.761 4.470 -0.000 0.000 0.304 429 S C 1.371 175.876 174.600 -0.158 0.000 1.097 429 S CA -0.675 57.442 58.200 -0.138 0.000 1.045 429 S CB 1.007 64.138 63.200 -0.114 0.000 1.019 429 S HN 0.730 nan 8.310 nan 0.000 0.481 430 I N 2.340 122.760 120.570 -0.250 0.000 2.916 430 I HA 0.217 4.387 4.170 -0.000 0.000 0.267 430 I C 0.688 176.726 176.117 -0.132 0.000 1.263 430 I CA 0.456 61.508 61.300 -0.413 0.000 1.471 430 I CB -0.014 37.401 38.000 -0.975 0.000 1.089 430 I HN 0.406 nan 8.210 nan 0.000 0.468 431 S N 0.337 115.980 115.700 -0.095 0.000 2.673 431 S HA 0.708 5.178 4.470 -0.000 0.000 0.256 431 S C 0.481 175.039 174.600 -0.070 0.000 1.141 431 S CA -0.147 58.032 58.200 -0.034 0.000 1.109 431 S CB 1.367 64.567 63.200 0.001 0.000 1.101 431 S HN 0.349 nan 8.310 nan 0.000 0.471 432 A N 3.744 126.498 122.820 -0.111 0.000 1.935 432 A HA 0.230 4.550 4.320 -0.000 0.000 0.214 432 A C 1.567 179.088 177.584 -0.104 0.000 1.178 432 A CA 0.894 52.861 52.037 -0.117 0.000 0.640 432 A CB -0.089 18.822 19.000 -0.147 0.000 0.825 432 A HN 0.765 nan 8.150 nan 0.000 0.447 433 E N -2.253 117.843 120.200 -0.173 0.000 2.564 433 E HA 0.088 4.438 4.350 -0.000 0.000 0.203 433 E C 1.622 178.219 176.600 -0.005 0.000 0.867 433 E CA 0.138 56.468 56.400 -0.117 0.000 1.250 433 E CB 0.043 29.632 29.700 -0.185 0.000 1.215 433 E HN 0.771 nan 8.360 nan 0.000 0.566 434 H N 0.631 119.740 119.070 0.066 0.000 2.495 434 H HA 0.131 4.687 4.556 -0.000 0.000 0.287 434 H C 1.010 176.383 175.328 0.076 0.000 1.033 434 H CA 0.280 56.379 56.048 0.085 0.000 1.307 434 H CB 0.360 30.187 29.762 0.109 0.000 1.401 434 H HN 0.244 nan 8.280 nan 0.000 0.555 435 G N 0.165 109.057 108.800 0.152 0.000 2.610 435 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.304 435 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.304 435 G C 0.178 175.137 174.900 0.099 0.000 1.309 435 G CA -0.194 44.967 45.100 0.101 0.000 0.906 435 G HN 0.079 nan 8.290 nan 0.000 0.521 436 I N 1.320 121.931 120.570 0.068 0.000 2.685 436 I HA 0.260 4.430 4.170 -0.000 0.000 0.251 436 I C 2.678 178.834 176.117 0.065 0.000 1.102 436 I CA 2.408 63.743 61.300 0.058 0.000 1.442 436 I CB -1.798 36.216 38.000 0.023 0.000 1.194 436 I HN 2.097 nan 8.210 nan 0.000 0.448 437 G N 1.916 110.747 108.800 0.051 0.000 2.634 437 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.309 437 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.309 437 G C 0.304 175.204 174.900 0.000 0.000 1.265 437 G CA 0.607 45.727 45.100 0.035 0.000 0.998 437 G HN 0.219 nan 8.290 nan 0.000 0.551 441 R N 1.744 122.267 120.500 0.038 0.000 2.073 441 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 441 R C 0.955 177.261 176.300 0.011 0.000 1.134 441 R CA 2.343 58.450 56.100 0.012 0.000 0.952 441 R CB 0.093 30.390 30.300 -0.005 0.000 0.850 441 R HN 0.074 nan 8.270 nan 0.000 0.433 442 D N 0.012 120.428 120.400 0.026 0.000 2.117 442 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 442 D C 1.772 178.090 176.300 0.030 0.000 0.982 442 D CA 1.214 55.232 54.000 0.030 0.000 0.828 442 D CB -0.246 40.582 40.800 0.046 0.000 0.967 442 D HN 0.280 nan 8.370 nan 0.000 0.464 443 E N 0.404 120.629 120.200 0.041 0.000 2.077 443 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 443 E C 1.928 178.499 176.600 -0.048 0.000 0.989 443 E CA 0.457 56.862 56.400 0.007 0.000 0.800 443 E CB -0.363 29.334 29.700 -0.005 0.000 0.746 443 E HN 0.159 nan 8.360 nan 0.000 0.452 444 L N 0.374 121.570 121.223 -0.046 0.000 2.012 444 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 444 L C 2.205 179.051 176.870 -0.039 0.000 1.073 444 L CA 2.330 57.137 54.840 -0.055 0.000 0.748 444 L CB -1.079 40.956 42.059 -0.039 0.000 0.891 444 L HN 0.185 nan 8.230 nan 0.000 0.431 445 A N -0.396 122.411 122.820 -0.022 0.000 2.024 445 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 445 A C 2.133 179.707 177.584 -0.015 0.000 1.164 445 A CA 1.894 53.922 52.037 -0.016 0.000 0.643 445 A CB -0.649 18.346 19.000 -0.007 0.000 0.806 445 A HN 0.786 nan 8.150 nan 0.000 0.451 446 E N -0.345 119.846 120.200 -0.015 0.000 2.307 446 E HA 0.007 4.357 4.350 -0.000 0.000 0.195 446 E C 1.634 178.220 176.600 -0.023 0.000 0.975 446 E CA 0.991 57.385 56.400 -0.011 0.000 0.878 446 E CB -0.430 29.273 29.700 0.005 0.000 0.845 446 E HN 0.524 nan 8.360 nan 0.000 0.488 447 V N -0.566 119.322 119.914 -0.042 0.000 2.725 447 V HA 0.133 4.253 4.120 -0.000 0.000 0.247 447 V C 1.107 177.168 176.094 -0.054 0.000 1.058 447 V CA 0.245 62.512 62.300 -0.056 0.000 1.080 447 V CB -0.421 31.345 31.823 -0.096 0.000 0.713 447 V HN -0.063 nan 8.190 nan 0.000 0.465 448 K N 2.155 122.523 120.400 -0.054 0.000 2.319 448 K HA 0.113 4.433 4.320 -0.000 0.000 0.265 448 K C -0.059 176.518 176.600 -0.039 0.000 1.000 448 K CA 0.190 56.447 56.287 -0.049 0.000 0.943 448 K CB 0.270 32.742 32.500 -0.047 0.000 0.950 448 K HN 0.563 nan 8.250 nan 0.000 0.485 449 D N 1.946 122.323 120.400 -0.038 0.000 2.533 449 D HA -0.071 4.569 4.640 -0.000 0.000 0.236 449 D C 0.793 177.075 176.300 -0.030 0.000 1.137 449 D CA 0.691 54.672 54.000 -0.033 0.000 0.867 449 D CB 0.727 41.507 40.800 -0.034 0.000 1.170 449 D HN 0.526 nan 8.370 nan 0.000 0.474 450 K N 1.689 122.074 120.400 -0.026 0.000 2.063 450 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 450 K C 1.592 178.177 176.600 -0.025 0.000 1.048 450 K CA 1.661 57.934 56.287 -0.023 0.000 0.928 450 K CB 0.037 32.526 32.500 -0.019 0.000 0.713 450 K HN 0.511 nan 8.250 nan 0.000 0.442 451 T N 0.382 114.920 114.554 -0.026 0.000 2.821 451 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 451 T C 1.788 176.468 174.700 -0.034 0.000 1.046 451 T CA 1.077 63.160 62.100 -0.029 0.000 1.139 451 T CB -0.214 68.637 68.868 -0.029 0.000 0.871 451 T HN 0.387 nan 8.240 nan 0.000 0.454 452 A N 1.100 123.899 122.820 -0.036 0.000 1.902 452 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 452 A C 2.221 179.781 177.584 -0.039 0.000 1.181 452 A CA 1.218 53.231 52.037 -0.040 0.000 0.623 452 A CB -0.702 18.273 19.000 -0.041 0.000 0.818 452 A HN 0.426 nan 8.150 nan 0.000 0.443 453 I N 0.006 120.556 120.570 -0.035 0.000 2.353 453 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 453 I C 2.174 178.273 176.117 -0.030 0.000 1.119 453 I CA 1.521 62.802 61.300 -0.032 0.000 1.417 453 I CB -0.260 37.723 38.000 -0.028 0.000 1.078 453 I HN 0.437 nan 8.210 nan 0.000 0.421 454 E N -0.084 120.099 120.200 -0.028 0.000 2.072 454 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 454 E C 1.074 177.655 176.600 -0.031 0.000 0.985 454 E CA 0.555 56.940 56.400 -0.026 0.000 0.801 454 E CB -0.113 29.573 29.700 -0.024 0.000 0.750 454 E HN 0.385 nan 8.360 nan 0.000 0.452 458 S N 1.401 117.083 115.700 -0.030 0.000 2.368 458 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 458 S C 1.852 176.432 174.600 -0.034 0.000 1.029 458 S CA 1.123 59.306 58.200 -0.029 0.000 0.988 458 S CB -0.015 63.168 63.200 -0.029 0.000 0.838 458 S HN 0.181 nan 8.310 nan 0.000 0.462 459 I N 1.289 121.832 120.570 -0.046 0.000 2.315 459 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 459 I C 2.450 178.536 176.117 -0.051 0.000 1.117 459 I CA 1.021 62.286 61.300 -0.057 0.000 1.404 459 I CB -0.206 37.743 38.000 -0.085 0.000 1.071 459 I HN 0.176 nan 8.210 nan 0.000 0.419 460 K N 1.933 122.307 120.400 -0.043 0.000 2.026 460 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 460 K C 2.039 178.626 176.600 -0.021 0.000 1.048 460 K CA 1.907 58.177 56.287 -0.029 0.000 0.929 460 K CB -0.442 32.045 32.500 -0.023 0.000 0.713 460 K HN 0.233 nan 8.250 nan 0.000 0.439 461 A N 0.492 123.299 122.820 -0.022 0.000 1.930 461 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 461 A C 2.119 179.685 177.584 -0.031 0.000 1.175 461 A CA 1.496 53.520 52.037 -0.021 0.000 0.627 461 A CB -0.657 18.334 19.000 -0.016 0.000 0.815 461 A HN 0.376 nan 8.150 nan 0.000 0.443 462 L N -0.920 120.287 121.223 -0.027 0.000 2.005 462 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 462 L C 1.979 178.835 176.870 -0.023 0.000 1.072 462 L CA 1.773 56.598 54.840 -0.025 0.000 0.744 462 L CB -0.474 41.574 42.059 -0.018 0.000 0.895 462 L HN 0.248 nan 8.230 nan 0.000 0.433 463 L N -0.793 120.422 121.223 -0.012 0.000 2.418 463 L HA 0.092 4.432 4.340 -0.000 0.000 0.218 463 L C 0.344 177.217 176.870 0.005 0.000 1.125 463 L CA 0.966 55.815 54.840 0.015 0.000 0.835 463 L CB -0.455 41.630 42.059 0.043 0.000 0.953 463 L HN 0.346 nan 8.230 nan 0.000 0.454 464 D N -1.387 119.001 120.400 -0.019 0.000 2.735 464 D HA 0.155 4.795 4.640 -0.000 0.000 0.291 464 D C -1.836 174.430 176.300 -0.057 0.000 1.205 464 D CA -1.426 52.559 54.000 -0.026 0.000 0.777 464 D CB 0.806 41.612 40.800 0.011 0.000 1.234 464 D HN -0.121 nan 8.370 nan 0.000 0.520 465 P HA -0.143 nan 4.420 nan 0.000 0.216 465 P C 0.747 178.001 177.300 -0.077 0.000 1.150 465 P CA 1.260 64.266 63.100 -0.157 0.000 0.837 465 P CB 0.034 31.561 31.700 -0.289 0.000 0.786 466 H N -1.487 117.595 119.070 0.021 0.000 2.539 466 H HA 0.307 4.863 4.556 -0.000 0.000 0.267 466 H C 1.146 176.486 175.328 0.020 0.000 0.982 466 H CA 0.070 56.130 56.048 0.020 0.000 1.146 466 H CB -0.411 29.365 29.762 0.023 0.000 1.382 466 H HN 0.143 nan 8.280 nan 0.000 0.577 467 G N 1.916 110.775 108.800 0.098 0.000 2.273 467 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.280 467 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.280 467 G C 0.366 175.304 174.900 0.064 0.000 1.047 467 G CA 0.706 45.845 45.100 0.064 0.000 0.869 467 G HN 0.593 nan 8.290 nan 0.000 0.502 471 P HA 0.280 nan 4.420 nan 0.000 0.269 471 P C 0.864 178.167 177.300 0.005 0.000 1.215 471 P CA 0.851 63.958 63.100 0.011 0.000 0.780 471 P CB 0.604 32.312 31.700 0.015 0.000 0.898 472 G N 0.876 109.674 108.800 -0.004 0.000 2.143 472 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.248 472 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.248 472 G C -0.151 174.732 174.900 -0.029 0.000 0.991 472 G CA 0.048 45.136 45.100 -0.021 0.000 0.689 472 G HN 0.640 nan 8.290 nan 0.000 0.522 473 K N -0.761 119.632 120.400 -0.013 0.000 2.371 473 K HA 0.708 5.028 4.320 -0.000 0.000 0.251 473 K C 1.230 177.828 176.600 -0.004 0.000 0.934 473 K CA -0.561 55.720 56.287 -0.010 0.000 0.798 473 K CB 3.006 35.508 32.500 0.004 0.000 1.204 473 K HN 0.502 nan 8.250 nan 0.000 0.427 474 V N -0.891 119.022 119.914 -0.002 0.000 0.550 474 V HA -0.387 3.733 4.120 -0.000 0.000 0.092 474 V C 0.409 176.497 176.094 -0.010 0.000 2.065 474 V CA 1.866 64.165 62.300 -0.002 0.000 3.496 474 V CB -2.017 29.806 31.823 -0.001 0.000 0.788 474 V HN 0.730 nan 8.190 nan 0.000 0.820 475 V N 0.000 119.907 119.914 -0.011 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 475 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556