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 3ooq_1_F DATA FIRST_RESID 5 DATA SEQUENCE VKILFKNATV FPITSRPFKG DVLVSNGKVE KVGENIEDPD AEIVDLTGKF DATA SEQUENCE LFPGFVDAHS HIGLFEEGVG YYYSDGNEAT DPVTPHVKAL DGFNPQDPAI DATA SEQUENCE ERALAGGVTS VXIVPGSANP VGGQGSVIKF RSIIVEECIV KDPAGLKXAF DATA SEQUENCE GENPKRVYGE RKQTPSTRXG TAGVIRDYFT KVKNYXKKKE LAQKEGKEFT DATA SEQUENCE ETDLKXEVGE XVLRKKIPAR XHAHRADDIL TAIRIAEEFG FNLVIEHGTE DATA SEQUENCE AYKISKVLAE KKIPVVVGPL LTFRTKLELK DLTXETIAKL LKDGVLIALX DATA SEQUENCE CDHPVIPLEF ATVQAATAXR YGAKEEDLLK ILTVNPAKIL GLEDRIGSIE DATA SEQUENCE PGKDADLVVW SGHPFDXKSV VERVYIDGVE VFRRE 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.078 176.094 -0.027 0.000 1.182 5 V CA 0.000 62.290 62.300 -0.017 0.000 1.235 5 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 6 K N 1.610 121.986 120.400 -0.039 0.000 2.219 6 K HA 0.617 4.937 4.320 -0.000 0.000 0.258 6 K C -0.425 176.110 176.600 -0.109 0.000 1.008 6 K CA -0.056 56.197 56.287 -0.058 0.000 0.928 6 K CB 1.440 33.911 32.500 -0.050 0.000 0.983 6 K HN 0.461 nan 8.250 nan 0.000 0.484 7 I N 2.452 122.920 120.570 -0.169 0.000 2.465 7 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 7 I C -1.214 174.671 176.117 -0.386 0.000 1.014 7 I CA -1.075 60.018 61.300 -0.346 0.000 1.093 7 I CB 1.581 39.254 38.000 -0.545 0.000 1.267 7 I HN 0.283 nan 8.210 nan 0.000 0.431 8 L N 7.520 128.508 121.223 -0.392 0.000 2.318 8 L HA 0.528 4.867 4.340 -0.000 0.000 0.277 8 L C -1.276 175.411 176.870 -0.304 0.000 1.008 8 L CA -0.067 54.624 54.840 -0.249 0.000 0.846 8 L CB 0.527 42.514 42.059 -0.121 0.000 1.220 8 L HN 0.222 nan 8.230 nan 0.000 0.423 9 F N 4.695 124.610 119.950 -0.059 0.000 2.424 9 F HA 0.446 4.973 4.527 -0.000 0.000 0.356 9 F C 0.667 176.450 175.800 -0.028 0.000 1.110 9 F CA -0.179 57.791 58.000 -0.050 0.000 1.161 9 F CB 0.715 39.672 39.000 -0.072 0.000 1.115 9 F HN 0.259 nan 8.300 nan 0.000 0.507 10 K N 2.337 122.820 120.400 0.138 0.000 2.244 10 K HA 0.222 4.541 4.320 -0.000 0.000 0.260 10 K C 0.048 176.685 176.600 0.061 0.000 0.951 10 K CA -0.758 55.575 56.287 0.076 0.000 0.826 10 K CB 1.543 34.067 32.500 0.039 0.000 1.108 10 K HN 0.615 nan 8.250 nan 0.000 0.433 11 N N 0.372 119.091 118.700 0.032 0.000 2.782 11 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 11 N C -0.787 174.702 175.510 -0.035 0.000 1.101 11 N CA 0.936 53.987 53.050 0.002 0.000 0.764 11 N CB -0.840 37.655 38.487 0.014 0.000 1.122 11 N HN 0.793 nan 8.380 nan 0.000 0.561 12 A N -0.772 122.017 122.820 -0.052 0.000 2.346 12 A HA 0.488 4.808 4.320 -0.000 0.000 0.252 12 A C 0.523 177.953 177.584 -0.256 0.000 1.089 12 A CA 0.625 52.593 52.037 -0.115 0.000 0.797 12 A CB 0.257 19.205 19.000 -0.086 0.000 1.047 12 A HN 0.337 nan 8.150 nan 0.000 0.494 13 T N 1.771 116.097 114.554 -0.380 0.000 2.727 13 T HA 0.385 4.735 4.350 -0.000 0.000 0.295 13 T C -0.065 174.389 174.700 -0.411 0.000 0.915 13 T CA -0.058 61.743 62.100 -0.497 0.000 1.066 13 T CB -0.129 68.289 68.868 -0.750 0.000 0.891 13 T HN 0.384 nan 8.240 nan 0.000 0.516 14 V N 4.904 124.416 119.914 -0.669 0.000 2.432 14 V HA 0.367 4.487 4.120 -0.000 0.000 0.275 14 V C -0.277 175.405 176.094 -0.688 0.000 1.043 14 V CA -0.644 61.251 62.300 -0.675 0.000 0.925 14 V CB 0.545 31.780 31.823 -0.980 0.000 0.985 14 V HN 0.740 nan 8.190 nan 0.000 0.466 15 F N 6.693 126.239 119.950 -0.673 0.000 2.310 15 F HA 0.406 4.933 4.527 -0.000 0.000 0.365 15 F C -1.565 173.986 175.800 -0.416 0.000 1.080 15 F CA -2.199 55.404 58.000 -0.661 0.000 1.187 15 F CB 1.449 39.617 39.000 -1.385 0.000 1.465 15 F HN 0.414 nan 8.300 nan 0.000 0.496 16 P HA -0.130 nan 4.420 nan 0.000 0.222 16 P C 1.057 178.369 177.300 0.021 0.000 1.147 16 P CA 1.084 64.181 63.100 -0.005 0.000 0.790 16 P CB 0.588 32.333 31.700 0.074 0.000 0.780 17 I N -3.095 117.497 120.570 0.037 0.000 4.351 17 I HA -0.299 3.871 4.170 -0.000 0.000 0.070 17 I C 1.385 177.550 176.117 0.080 0.000 0.576 17 I CA 2.426 63.783 61.300 0.096 0.000 1.120 17 I CB -2.738 35.338 38.000 0.127 0.000 0.998 17 I HN 0.154 nan 8.210 nan 0.000 0.169 18 T N -0.562 114.028 114.554 0.059 0.000 3.129 18 T HA 0.380 4.729 4.350 -0.000 0.000 0.251 18 T C 0.597 175.317 174.700 0.033 0.000 1.117 18 T CA 0.792 62.921 62.100 0.048 0.000 1.034 18 T CB -0.078 68.815 68.868 0.042 0.000 0.968 18 T HN 0.792 nan 8.240 nan 0.000 0.526 19 S N -0.520 115.198 115.700 0.029 0.000 2.625 19 S HA 0.645 5.115 4.470 -0.000 0.000 0.271 19 S C -0.878 173.724 174.600 0.003 0.000 1.161 19 S CA -1.384 56.824 58.200 0.013 0.000 0.820 19 S CB 1.692 64.891 63.200 -0.002 0.000 1.137 19 S HN 0.244 nan 8.310 nan 0.000 0.470 20 R N 1.494 121.987 120.500 -0.012 0.000 2.643 20 R HA 0.381 4.720 4.340 -0.000 0.000 0.270 20 R C -2.149 174.099 176.300 -0.087 0.000 1.061 20 R CA -1.158 54.911 56.100 -0.052 0.000 1.107 20 R CB 0.054 30.332 30.300 -0.036 0.000 0.999 20 R HN 0.508 nan 8.270 nan 0.000 0.460 21 P HA 0.057 nan 4.420 nan 0.000 0.270 21 P C -1.091 176.082 177.300 -0.211 0.000 1.223 21 P CA 0.191 62.918 63.100 -0.621 0.000 0.785 21 P CB 0.394 31.176 31.700 -1.530 0.000 0.923 22 F N -2.806 116.926 119.950 -0.364 0.000 2.693 22 F HA 0.580 5.107 4.527 -0.000 0.000 0.309 22 F C -0.801 174.879 175.800 -0.201 0.000 1.129 22 F CA -1.674 56.191 58.000 -0.225 0.000 0.948 22 F CB 1.171 40.074 39.000 -0.162 0.000 1.315 22 F HN 0.044 nan 8.300 nan 0.000 0.447 23 K N 1.322 121.680 120.400 -0.070 0.000 2.297 23 K HA 0.666 4.986 4.320 -0.000 0.000 0.286 23 K C 0.039 176.673 176.600 0.058 0.000 1.053 23 K CA 0.482 56.700 56.287 -0.115 0.000 0.940 23 K CB 0.593 33.062 32.500 -0.051 0.000 1.019 23 K HN 1.099 nan 8.250 nan 0.000 0.475 24 G N 2.648 111.412 108.800 -0.060 0.000 2.356 24 G HA2 0.122 4.082 3.960 -0.000 0.000 0.281 24 G HA3 0.122 4.082 3.960 -0.000 0.000 0.281 24 G C -1.825 173.109 174.900 0.057 0.000 1.246 24 G CA -0.726 44.458 45.100 0.139 0.000 0.889 24 G HN 0.540 nan 8.290 nan 0.000 0.486 25 D N -0.749 119.749 120.400 0.164 0.000 2.419 25 D HA 0.663 5.303 4.640 -0.000 0.000 0.234 25 D C -0.815 175.571 176.300 0.143 0.000 1.014 25 D CA -0.348 53.723 54.000 0.119 0.000 0.919 25 D CB 2.437 43.295 40.800 0.097 0.000 1.366 25 D HN 0.363 nan 8.370 nan 0.000 0.490 26 V N 1.457 121.462 119.914 0.152 0.000 2.623 26 V HA 0.300 4.420 4.120 -0.000 0.000 0.304 26 V C -0.885 175.315 176.094 0.177 0.000 1.054 26 V CA -0.814 61.581 62.300 0.158 0.000 0.882 26 V CB 2.087 33.983 31.823 0.122 0.000 1.002 26 V HN 0.350 nan 8.190 nan 0.000 0.424 27 L N 6.379 127.663 121.223 0.102 0.000 2.307 27 L HA 0.812 5.151 4.340 -0.000 0.000 0.284 27 L C -0.658 176.242 176.870 0.051 0.000 1.023 27 L CA 0.048 54.917 54.840 0.048 0.000 0.810 27 L CB 1.759 43.829 42.059 0.018 0.000 1.231 27 L HN 0.447 nan 8.230 nan 0.000 0.423 28 V N 4.290 124.218 119.914 0.022 0.000 2.495 28 V HA 0.843 4.963 4.120 -0.000 0.000 0.298 28 V C -0.391 175.700 176.094 -0.004 0.000 1.031 28 V CA -0.110 62.207 62.300 0.029 0.000 0.871 28 V CB 1.814 33.671 31.823 0.057 0.000 0.988 28 V HN 0.964 nan 8.190 nan 0.000 0.432 29 S N 3.015 118.720 115.700 0.009 0.000 2.537 29 S HA 0.516 4.986 4.470 -0.000 0.000 0.270 29 S C -0.255 174.354 174.600 0.014 0.000 1.142 29 S CA -0.735 57.467 58.200 0.004 0.000 0.870 29 S CB 1.722 64.921 63.200 -0.002 0.000 1.112 29 S HN 0.707 nan 8.310 nan 0.000 0.466 30 N N 0.926 119.635 118.700 0.014 0.000 2.710 30 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 30 N C 1.011 176.537 175.510 0.026 0.000 1.059 30 N CA 1.826 54.888 53.050 0.019 0.000 0.720 30 N CB -1.603 36.893 38.487 0.014 0.000 0.983 30 N HN 2.039 nan 8.380 nan 0.000 0.544 31 G N -1.575 107.247 108.800 0.036 0.000 2.153 31 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.252 31 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.252 31 G C 0.024 174.950 174.900 0.044 0.000 0.994 31 G CA 1.066 46.195 45.100 0.047 0.000 0.698 31 G HN 0.581 nan 8.290 nan 0.000 0.521 32 K N -0.902 119.520 120.400 0.036 0.000 2.443 32 K HA 0.608 4.928 4.320 -0.000 0.000 0.251 32 K C 0.007 176.628 176.600 0.035 0.000 0.972 32 K CA -1.053 55.253 56.287 0.033 0.000 0.833 32 K CB 2.734 35.248 32.500 0.024 0.000 1.317 32 K HN 0.010 nan 8.250 nan 0.000 0.441 33 V N 2.714 122.649 119.914 0.034 0.000 2.446 33 V HA -0.034 4.086 4.120 -0.000 0.000 0.276 33 V C 1.288 177.400 176.094 0.030 0.000 1.030 33 V CA 0.575 62.898 62.300 0.038 0.000 1.033 33 V CB 0.690 32.534 31.823 0.035 0.000 0.993 33 V HN 0.865 nan 8.190 nan 0.000 0.477 34 E N 4.354 124.572 120.200 0.030 0.000 2.075 34 E HA 0.094 4.444 4.350 -0.000 0.000 0.190 34 E C 0.446 177.058 176.600 0.020 0.000 0.969 34 E CA 0.636 57.048 56.400 0.020 0.000 0.815 34 E CB 0.453 30.161 29.700 0.014 0.000 0.776 34 E HN 0.629 nan 8.360 nan 0.000 0.457 35 K N 0.135 120.553 120.400 0.029 0.000 2.502 35 K HA 0.461 4.781 4.320 -0.000 0.000 0.257 35 K C -1.661 174.970 176.600 0.052 0.000 0.938 35 K CA -0.686 55.618 56.287 0.028 0.000 0.819 35 K CB 3.069 35.581 32.500 0.020 0.000 1.333 35 K HN -0.153 nan 8.250 nan 0.000 0.434 36 V N 1.404 121.349 119.914 0.051 0.000 2.577 36 V HA 0.835 4.955 4.120 -0.000 0.000 0.303 36 V C -0.015 176.115 176.094 0.060 0.000 1.042 36 V CA -0.420 61.943 62.300 0.105 0.000 0.872 36 V CB 1.467 33.359 31.823 0.116 0.000 0.998 36 V HN 1.060 nan 8.190 nan 0.000 0.423 37 G N 3.267 112.153 108.800 0.144 0.000 2.327 37 G HA2 0.309 4.269 3.960 -0.000 0.000 0.291 37 G HA3 0.309 4.269 3.960 -0.000 0.000 0.291 37 G C -0.054 174.921 174.900 0.125 0.000 1.290 37 G CA 0.112 45.191 45.100 -0.036 0.000 0.857 37 G HN 0.538 nan 8.290 nan 0.000 0.520 38 E N -0.264 119.927 120.200 -0.015 0.000 2.023 38 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 38 E C 0.996 177.636 176.600 0.066 0.000 1.003 38 E CA 1.910 58.341 56.400 0.052 0.000 0.809 38 E CB -0.067 29.617 29.700 -0.026 0.000 0.755 38 E HN 0.394 nan 8.360 nan 0.000 0.449 39 N N -0.633 118.086 118.700 0.031 0.000 2.733 39 N HA 0.264 5.004 4.740 -0.000 0.000 0.271 39 N C -1.385 174.136 175.510 0.018 0.000 1.720 39 N CA -0.182 52.883 53.050 0.025 0.000 0.803 39 N CB 0.815 39.308 38.487 0.011 0.000 1.208 39 N HN -0.002 nan 8.380 nan 0.000 0.498 40 I N 0.601 121.187 120.570 0.028 0.000 2.474 40 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 40 I C 0.258 176.381 176.117 0.009 0.000 1.048 40 I CA 0.039 61.350 61.300 0.018 0.000 1.383 40 I CB 0.924 38.941 38.000 0.028 0.000 1.412 40 I HN 0.180 nan 8.210 nan 0.000 0.531 41 E N 4.530 124.730 120.200 0.001 0.000 2.222 41 E HA 0.416 4.766 4.350 -0.000 0.000 0.267 41 E C -1.321 175.273 176.600 -0.010 0.000 0.884 41 E CA -0.478 55.919 56.400 -0.005 0.000 0.764 41 E CB 1.671 31.369 29.700 -0.005 0.000 1.169 41 E HN 0.425 nan 8.360 nan 0.000 0.413 42 D N 3.944 124.334 120.400 -0.016 0.000 2.764 42 D HA 0.164 4.804 4.640 -0.000 0.000 0.227 42 D C -2.001 174.286 176.300 -0.023 0.000 1.347 42 D CA -1.585 52.404 54.000 -0.019 0.000 0.953 42 D CB 1.864 42.650 40.800 -0.024 0.000 1.476 42 D HN 0.219 nan 8.370 nan 0.000 0.585 43 P HA -0.011 nan 4.420 nan 0.000 0.221 43 P C 0.465 177.753 177.300 -0.020 0.000 1.150 43 P CA 0.762 63.852 63.100 -0.017 0.000 0.800 43 P CB 0.794 32.486 31.700 -0.013 0.000 0.787 44 D N 0.027 120.414 120.400 -0.022 0.000 2.301 44 D HA 0.097 4.737 4.640 -0.000 0.000 0.206 44 D C 1.045 177.325 176.300 -0.034 0.000 0.979 44 D CA 0.198 54.184 54.000 -0.024 0.000 0.874 44 D CB -0.339 40.449 40.800 -0.020 0.000 0.968 44 D HN 0.094 nan 8.370 nan 0.000 0.510 45 A N 1.617 124.411 122.820 -0.043 0.000 2.546 45 A HA -0.024 4.296 4.320 -0.000 0.000 0.243 45 A C 0.589 178.127 177.584 -0.075 0.000 1.063 45 A CA 0.003 52.001 52.037 -0.065 0.000 0.757 45 A CB 0.087 19.041 19.000 -0.077 0.000 0.991 45 A HN 0.050 nan 8.150 nan 0.000 0.503 46 E N 1.466 121.611 120.200 -0.091 0.000 2.376 46 E HA 0.233 4.583 4.350 -0.000 0.000 0.266 46 E C -0.456 176.060 176.600 -0.140 0.000 1.009 46 E CA -0.255 56.087 56.400 -0.095 0.000 0.902 46 E CB 0.315 29.962 29.700 -0.089 0.000 0.972 46 E HN 0.591 nan 8.360 nan 0.000 0.439 47 I N 2.696 123.203 120.570 -0.106 0.000 2.353 47 I HA 0.294 4.464 4.170 -0.000 0.000 0.293 47 I C -1.227 174.823 176.117 -0.112 0.000 0.992 47 I CA -0.570 60.659 61.300 -0.118 0.000 1.268 47 I CB 1.665 39.626 38.000 -0.065 0.000 1.387 47 I HN 0.120 nan 8.210 nan 0.000 0.478 48 V N 6.178 125.998 119.914 -0.157 0.000 2.350 48 V HA 0.309 4.429 4.120 -0.000 0.000 0.285 48 V C -0.544 175.577 176.094 0.046 0.000 1.014 48 V CA -0.468 61.798 62.300 -0.057 0.000 0.831 48 V CB 1.059 32.819 31.823 -0.106 0.000 1.000 48 V HN 0.862 nan 8.190 nan 0.000 0.433 49 D N 4.723 125.159 120.400 0.061 0.000 2.317 49 D HA 0.321 4.961 4.640 -0.000 0.000 0.252 49 D C 0.278 176.644 176.300 0.110 0.000 1.174 49 D CA 0.076 54.119 54.000 0.072 0.000 0.866 49 D CB 1.028 41.857 40.800 0.049 0.000 1.127 49 D HN 0.474 nan 8.370 nan 0.000 0.467 50 L N 3.394 124.687 121.223 0.116 0.000 3.202 50 L HA 0.205 4.545 4.340 -0.000 0.000 0.278 50 L C 0.355 177.272 176.870 0.078 0.000 1.268 50 L CA -0.438 54.475 54.840 0.122 0.000 1.034 50 L CB 0.283 42.431 42.059 0.147 0.000 1.407 50 L HN 0.349 nan 8.230 nan 0.000 0.581 51 T N 1.024 115.615 114.554 0.062 0.000 2.866 51 T HA 0.175 4.525 4.350 -0.000 0.000 0.293 51 T C 1.323 176.061 174.700 0.063 0.000 1.005 51 T CA 1.377 63.503 62.100 0.044 0.000 1.162 51 T CB 0.719 69.612 68.868 0.041 0.000 0.968 51 T HN 0.714 nan 8.240 nan 0.000 0.530 52 G N 2.696 111.527 108.800 0.051 0.000 2.199 52 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 52 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 52 G C 0.245 175.263 174.900 0.198 0.000 0.982 52 G CA -0.001 45.163 45.100 0.107 0.000 0.632 52 G HN 0.600 nan 8.290 nan 0.000 0.529 53 K N -0.460 120.041 120.400 0.168 0.000 2.245 53 K HA 0.814 5.134 4.320 -0.000 0.000 0.234 53 K C -0.781 175.989 176.600 0.282 0.000 1.021 53 K CA -0.750 55.727 56.287 0.317 0.000 0.898 53 K CB 0.880 33.518 32.500 0.231 0.000 1.163 53 K HN 0.048 nan 8.250 nan 0.000 0.459 54 F N 0.644 120.709 119.950 0.192 0.000 2.507 54 F HA 0.377 4.904 4.527 -0.000 0.000 0.325 54 F C -0.338 175.629 175.800 0.278 0.000 1.116 54 F CA -1.095 57.053 58.000 0.247 0.000 0.930 54 F CB 1.272 40.460 39.000 0.313 0.000 1.146 54 F HN 0.122 nan 8.300 nan 0.000 0.447 55 L N 4.327 125.709 121.223 0.265 0.000 2.298 55 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 55 L C -1.606 175.303 176.870 0.065 0.000 1.013 55 L CA -0.305 54.610 54.840 0.124 0.000 0.824 55 L CB 0.393 42.381 42.059 -0.119 0.000 1.221 55 L HN 0.395 nan 8.230 nan 0.000 0.418 56 F N 5.741 125.701 119.950 0.016 0.000 2.556 56 F HA 0.718 5.245 4.527 -0.000 0.000 0.327 56 F C -1.956 173.782 175.800 -0.103 0.000 1.059 56 F CA -1.974 55.994 58.000 -0.054 0.000 0.953 56 F CB 1.574 40.481 39.000 -0.155 0.000 1.227 56 F HN 0.402 nan 8.300 nan 0.000 0.478 57 P HA 0.165 nan 4.420 nan 0.000 0.272 57 P C -0.291 176.944 177.300 -0.107 0.000 1.230 57 P CA -0.280 62.815 63.100 -0.009 0.000 0.788 57 P CB 0.496 32.212 31.700 0.025 0.000 0.949 58 G N 1.098 109.846 108.800 -0.088 0.000 2.432 58 G HA2 0.247 4.207 3.960 -0.000 0.000 0.239 58 G HA3 0.247 4.207 3.960 -0.000 0.000 0.239 58 G C -0.454 174.388 174.900 -0.097 0.000 1.291 58 G CA -0.290 44.729 45.100 -0.134 0.000 0.863 58 G HN 0.214 nan 8.290 nan 0.000 0.560 59 F N 0.292 120.315 119.950 0.122 0.000 2.450 59 F HA 0.396 4.923 4.527 -0.000 0.000 0.339 59 F C 0.636 176.469 175.800 0.054 0.000 1.146 59 F CA -0.606 57.457 58.000 0.104 0.000 1.267 59 F CB 1.413 40.489 39.000 0.128 0.000 1.178 59 F HN 0.146 nan 8.300 nan 0.000 0.585 60 V N 2.102 122.179 119.914 0.272 0.000 2.409 60 V HA 0.207 4.327 4.120 -0.000 0.000 0.290 60 V C -0.773 175.384 176.094 0.104 0.000 1.017 60 V CA -0.891 61.481 62.300 0.120 0.000 0.841 60 V CB 1.521 33.394 31.823 0.084 0.000 1.003 60 V HN 0.613 nan 8.190 nan 0.000 0.426 61 D N 3.825 124.267 120.400 0.069 0.000 2.359 61 D HA 0.439 5.079 4.640 -0.000 0.000 0.230 61 D C 0.843 177.167 176.300 0.041 0.000 1.118 61 D CA -0.150 53.891 54.000 0.068 0.000 0.844 61 D CB 2.243 43.095 40.800 0.086 0.000 1.059 61 D HN 0.614 nan 8.370 nan 0.000 0.493 62 A N 4.092 126.944 122.820 0.054 0.000 2.239 62 A HA -0.093 4.227 4.320 -0.000 0.000 0.209 62 A C 0.740 178.370 177.584 0.077 0.000 1.171 62 A CA 0.743 52.809 52.037 0.047 0.000 0.768 62 A CB -0.084 18.947 19.000 0.051 0.000 0.790 62 A HN 0.643 nan 8.150 nan 0.000 0.478 63 H N -0.814 118.233 119.070 -0.039 0.000 3.287 63 H HA 0.503 5.059 4.556 -0.000 0.000 0.330 63 H C -1.871 173.386 175.328 -0.119 0.000 1.064 63 H CA 0.049 56.050 56.048 -0.079 0.000 1.544 63 H CB 0.873 30.581 29.762 -0.091 0.000 1.918 63 H HN 0.107 nan 8.280 nan 0.000 0.477 64 S N 2.884 118.411 115.700 -0.288 0.000 2.556 64 S HA 0.373 4.842 4.470 -0.000 0.000 0.271 64 S C -0.422 173.957 174.600 -0.370 0.000 1.135 64 S CA -0.523 57.560 58.200 -0.195 0.000 0.858 64 S CB 0.988 64.192 63.200 0.007 0.000 1.114 64 S HN 0.739 nan 8.310 nan 0.000 0.468 65 H N 2.081 121.304 119.070 0.256 0.000 2.581 65 H HA 0.324 4.880 4.556 -0.000 0.000 0.275 65 H C 0.432 175.971 175.328 0.352 0.000 1.126 65 H CA -0.272 55.942 56.048 0.276 0.000 1.097 65 H CB -0.037 29.907 29.762 0.305 0.000 1.626 65 H HN 0.469 nan 8.280 nan 0.000 0.565 66 I N 0.956 121.747 120.570 0.369 0.000 2.880 66 I HA -0.003 4.167 4.170 -0.000 0.000 0.296 66 I C 1.458 177.783 176.117 0.346 0.000 1.220 66 I CA 1.704 63.148 61.300 0.241 0.000 1.435 66 I CB 0.416 38.364 38.000 -0.086 0.000 1.339 66 I HN 0.556 nan 8.210 nan 0.000 0.583 67 G N 5.298 114.205 108.800 0.179 0.000 2.377 67 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.250 67 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.250 67 G C 0.820 175.759 174.900 0.065 0.000 1.039 67 G CA 0.644 45.714 45.100 -0.050 0.000 0.625 67 G HN 0.572 nan 8.290 nan 0.000 0.526 68 L N -1.290 120.088 121.223 0.257 0.000 2.162 68 L HA 0.383 4.723 4.340 -0.000 0.000 0.205 68 L C 1.187 178.180 176.870 0.205 0.000 1.086 68 L CA 0.637 55.608 54.840 0.218 0.000 0.778 68 L CB 0.066 42.286 42.059 0.268 0.000 0.928 68 L HN 0.241 nan 8.230 nan 0.000 0.446 69 F N 2.036 122.058 119.950 0.121 0.000 2.319 69 F HA 0.289 4.816 4.527 -0.000 0.000 0.356 69 F C 0.587 176.443 175.800 0.093 0.000 1.100 69 F CA -1.684 56.370 58.000 0.090 0.000 1.220 69 F CB -0.089 38.988 39.000 0.128 0.000 1.506 69 F HN -0.046 nan 8.300 nan 0.000 0.512 70 E N 3.069 123.469 120.200 0.333 0.000 2.481 70 E HA -0.072 4.278 4.350 -0.000 0.000 0.263 70 E C -0.276 176.472 176.600 0.246 0.000 0.992 70 E CA 0.096 56.611 56.400 0.193 0.000 0.938 70 E CB 0.613 30.347 29.700 0.056 0.000 0.933 70 E HN 0.714 nan 8.360 nan 0.000 0.453 71 E N 2.128 122.412 120.200 0.141 0.000 2.331 71 E HA 0.265 4.615 4.350 -0.000 0.000 0.272 71 E C 0.227 176.878 176.600 0.086 0.000 1.036 71 E CA 0.507 56.971 56.400 0.107 0.000 0.864 71 E CB 0.681 30.420 29.700 0.066 0.000 1.035 71 E HN 0.754 nan 8.360 nan 0.000 0.408 72 G N 2.385 111.242 108.800 0.096 0.000 2.176 72 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 72 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 72 G C 0.477 175.436 174.900 0.098 0.000 1.024 72 G CA 0.497 45.645 45.100 0.081 0.000 0.755 72 G HN 0.895 nan 8.290 nan 0.000 0.507 73 V N -4.296 115.715 119.914 0.161 0.000 3.426 73 V HA 0.751 4.871 4.120 -0.000 0.000 0.271 73 V C 1.098 177.406 176.094 0.356 0.000 1.530 73 V CA 0.865 63.285 62.300 0.201 0.000 1.021 73 V CB 0.547 32.428 31.823 0.096 0.000 0.824 73 V HN 2.296 nan 8.190 nan 0.000 0.432 74 G N -0.067 108.936 108.800 0.339 0.000 2.885 74 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.685 74 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.685 74 G C -0.409 174.665 174.900 0.290 0.000 1.216 74 G CA 0.005 45.295 45.100 0.317 0.000 0.790 74 G HN 0.797 nan 8.290 nan 0.000 0.631 75 Y N 1.819 122.220 120.300 0.169 0.000 2.228 75 Y HA -0.270 4.280 4.550 -0.000 0.000 0.285 75 Y C 2.462 178.243 175.900 -0.198 0.000 1.178 75 Y CA 2.948 61.024 58.100 -0.041 0.000 1.202 75 Y CB -0.120 38.386 38.460 0.077 0.000 0.974 75 Y HN 0.880 nan 8.280 nan 0.000 0.527 76 Y N -0.238 119.868 120.300 -0.323 0.000 2.256 76 Y HA -0.305 4.245 4.550 -0.000 0.000 0.288 76 Y C 1.102 176.634 175.900 -0.614 0.000 1.155 76 Y CA 1.742 59.534 58.100 -0.513 0.000 1.203 76 Y CB -0.879 37.283 38.460 -0.497 0.000 0.980 76 Y HN 0.242 nan 8.280 nan 0.000 0.530 77 Y N -0.423 119.591 120.300 -0.477 0.000 2.490 77 Y HA 0.194 4.744 4.550 -0.000 0.000 0.281 77 Y C 1.457 177.058 175.900 -0.500 0.000 1.174 77 Y CA 0.260 58.067 58.100 -0.488 0.000 1.295 77 Y CB -0.534 37.788 38.460 -0.229 0.000 1.062 77 Y HN -0.084 nan 8.280 nan 0.000 0.522 78 S N 0.795 116.115 115.700 -0.633 0.000 2.533 78 S HA -0.025 4.444 4.470 -0.000 0.000 0.282 78 S C 0.772 175.111 174.600 -0.435 0.000 1.304 78 S CA -0.303 57.473 58.200 -0.706 0.000 1.063 78 S CB 0.275 62.686 63.200 -1.314 0.000 0.881 78 S HN 0.311 nan 8.310 nan 0.000 0.493 79 D N 3.745 124.001 120.400 -0.241 0.000 2.368 79 D HA 0.167 4.807 4.640 -0.000 0.000 0.218 79 D C 1.581 177.821 176.300 -0.100 0.000 1.112 79 D CA 0.156 54.065 54.000 -0.152 0.000 0.834 79 D CB 0.121 40.875 40.800 -0.077 0.000 0.953 79 D HN 0.741 nan 8.370 nan 0.000 0.505 80 G N 0.258 108.989 108.800 -0.115 0.000 2.572 80 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 80 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 80 G C 0.776 175.632 174.900 -0.072 0.000 1.133 80 G CA 0.099 45.168 45.100 -0.053 0.000 0.791 80 G HN 0.059 nan 8.290 nan 0.000 0.538 81 N N 0.436 119.078 118.700 -0.096 0.000 2.533 81 N HA 0.157 4.897 4.740 -0.000 0.000 0.289 81 N C -1.512 173.957 175.510 -0.069 0.000 1.103 81 N CA -0.453 52.557 53.050 -0.066 0.000 0.877 81 N CB 2.044 40.502 38.487 -0.048 0.000 1.419 81 N HN -0.036 nan 8.380 nan 0.000 0.517 82 E N 2.015 122.186 120.200 -0.048 0.000 1.972 82 E HA 0.246 4.596 4.350 -0.000 0.000 0.292 82 E C -0.051 176.558 176.600 0.016 0.000 1.193 82 E CA -0.340 56.038 56.400 -0.037 0.000 1.228 82 E CB -0.383 29.286 29.700 -0.052 0.000 1.167 82 E HN 0.561 nan 8.360 nan 0.000 0.479 83 A N 2.999 125.818 122.820 -0.001 0.000 2.728 83 A HA 0.117 4.437 4.320 -0.000 0.000 0.258 83 A C 1.030 178.625 177.584 0.019 0.000 1.454 83 A CA 0.306 52.350 52.037 0.012 0.000 1.146 83 A CB -0.648 18.298 19.000 -0.090 0.000 0.985 83 A HN 0.424 nan 8.150 nan 0.000 0.603 84 T N -3.851 110.769 114.554 0.110 0.000 3.091 84 T HA 0.332 4.682 4.350 -0.000 0.000 0.277 84 T C -0.369 174.447 174.700 0.192 0.000 0.996 84 T CA 0.155 62.324 62.100 0.115 0.000 0.897 84 T CB 0.171 69.068 68.868 0.048 0.000 1.109 84 T HN 0.289 nan 8.240 nan 0.000 0.534 85 D N 0.912 121.474 120.400 0.270 0.000 2.633 85 D HA 0.200 4.840 4.640 -0.000 0.000 0.198 85 D C -2.719 173.509 176.300 -0.120 0.000 1.273 85 D CA -1.300 52.738 54.000 0.064 0.000 0.830 85 D CB 2.279 43.093 40.800 0.023 0.000 1.771 85 D HN -0.173 nan 8.370 nan 0.000 0.547 86 P HA 0.048 nan 4.420 nan 0.000 0.237 86 P C 0.224 177.300 177.300 -0.374 0.000 1.178 86 P CA 0.266 62.921 63.100 -0.742 0.000 0.766 86 P CB 0.485 31.574 31.700 -1.018 0.000 0.876 87 V N 0.993 120.735 119.914 -0.287 0.000 2.320 87 V HA 0.193 4.313 4.120 -0.000 0.000 0.268 87 V C 0.451 176.424 176.094 -0.202 0.000 1.021 87 V CA -0.267 61.844 62.300 -0.314 0.000 0.813 87 V CB 0.859 32.476 31.823 -0.344 0.000 1.054 87 V HN 0.086 nan 8.190 nan 0.000 0.444 88 T N 0.693 115.161 114.554 -0.143 0.000 3.438 88 T HA 0.288 4.638 4.350 -0.000 0.000 0.244 88 T C -1.400 173.282 174.700 -0.030 0.000 1.269 88 T CA -1.466 60.651 62.100 0.028 0.000 1.371 88 T CB 1.022 69.883 68.868 -0.011 0.000 1.002 88 T HN 0.389 nan 8.240 nan 0.000 0.637 89 P HA -0.172 nan 4.420 nan 0.000 0.220 89 P C 1.443 178.744 177.300 0.003 0.000 1.148 89 P CA 1.249 64.278 63.100 -0.119 0.000 0.803 89 P CB -0.133 31.425 31.700 -0.236 0.000 0.782 90 H N 0.110 119.117 119.070 -0.105 0.000 2.502 90 H HA 0.048 4.604 4.556 -0.000 0.000 0.283 90 H C 0.872 176.173 175.328 -0.045 0.000 1.015 90 H CA 0.255 56.266 56.048 -0.062 0.000 1.298 90 H CB -1.684 28.044 29.762 -0.056 0.000 1.411 90 H HN 0.020 nan 8.280 nan 0.000 0.556 91 V N 0.110 119.680 119.914 -0.573 0.000 2.732 91 V HA 0.368 4.488 4.120 -0.000 0.000 0.297 91 V C -0.171 175.819 176.094 -0.174 0.000 1.060 91 V CA -1.006 61.055 62.300 -0.399 0.000 1.038 91 V CB 1.335 32.918 31.823 -0.401 0.000 1.003 91 V HN 0.215 nan 8.190 nan 0.000 0.481 92 K N 3.424 123.758 120.400 -0.110 0.000 2.345 92 K HA 0.710 5.030 4.320 -0.000 0.000 0.255 92 K C 0.884 177.469 176.600 -0.024 0.000 0.934 92 K CA -0.211 56.044 56.287 -0.053 0.000 0.801 92 K CB 2.070 34.550 32.500 -0.033 0.000 1.137 92 K HN 0.793 nan 8.250 nan 0.000 0.424 93 A N 2.776 125.593 122.820 -0.005 0.000 1.986 93 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 93 A C 1.925 179.549 177.584 0.066 0.000 1.171 93 A CA 1.450 53.510 52.037 0.038 0.000 0.640 93 A CB -0.443 18.581 19.000 0.041 0.000 0.811 93 A HN 0.745 nan 8.150 nan 0.000 0.451 94 L N 0.050 121.288 121.223 0.025 0.000 2.081 94 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 94 L C 1.117 178.044 176.870 0.095 0.000 1.080 94 L CA 2.407 57.272 54.840 0.041 0.000 0.754 94 L CB -0.456 41.603 42.059 -0.001 0.000 0.893 94 L HN 0.340 nan 8.230 nan 0.000 0.433 95 D N -1.079 119.353 120.400 0.053 0.000 2.363 95 D HA 0.052 4.692 4.640 -0.000 0.000 0.226 95 D C 1.750 178.077 176.300 0.045 0.000 1.020 95 D CA 1.019 55.043 54.000 0.041 0.000 0.892 95 D CB 0.153 40.955 40.800 0.003 0.000 0.900 95 D HN 0.514 nan 8.370 nan 0.000 0.531 96 G N -0.453 108.393 108.800 0.077 0.000 3.228 96 G HA2 0.022 3.982 3.960 -0.000 0.000 0.245 96 G HA3 0.022 3.982 3.960 -0.000 0.000 0.245 96 G C 0.053 175.020 174.900 0.111 0.000 1.051 96 G CA -0.399 44.738 45.100 0.063 0.000 0.809 96 G HN 0.104 nan 8.290 nan 0.000 0.531 97 F N 2.610 122.571 119.950 0.018 0.000 2.472 97 F HA 0.498 5.025 4.527 -0.000 0.000 0.364 97 F C -0.155 175.663 175.800 0.029 0.000 1.090 97 F CA -1.487 56.535 58.000 0.038 0.000 1.188 97 F CB 0.906 39.934 39.000 0.046 0.000 1.105 97 F HN 0.008 nan 8.300 nan 0.000 0.536 98 N N 8.363 126.661 118.700 -0.670 0.000 2.546 98 N HA 0.378 5.117 4.740 -0.000 0.000 0.238 98 N C -2.331 172.691 175.510 -0.814 0.000 0.984 98 N CA -2.643 50.080 53.050 -0.545 0.000 0.935 98 N CB 1.432 39.744 38.487 -0.291 0.000 1.122 98 N HN 0.244 nan 8.380 nan 0.000 0.510 99 P HA -0.043 nan 4.420 nan 0.000 0.230 99 P C 0.218 177.393 177.300 -0.209 0.000 1.158 99 P CA 1.105 63.996 63.100 -0.348 0.000 0.769 99 P CB 0.281 31.988 31.700 0.011 0.000 0.807 100 Q N -0.946 118.733 119.800 -0.201 0.000 2.360 100 Q HA 0.024 4.364 4.340 -0.000 0.000 0.202 100 Q C 0.354 176.264 176.000 -0.150 0.000 0.915 100 Q CA -0.240 55.479 55.803 -0.140 0.000 0.943 100 Q CB -0.278 28.398 28.738 -0.104 0.000 1.064 100 Q HN 0.201 nan 8.270 nan 0.000 0.511 101 D N 2.431 122.711 120.400 -0.200 0.000 2.531 101 D HA -0.058 4.582 4.640 -0.000 0.000 0.239 101 D C -1.451 174.768 176.300 -0.134 0.000 1.144 101 D CA -1.429 52.480 54.000 -0.151 0.000 0.869 101 D CB 1.066 41.768 40.800 -0.164 0.000 1.160 101 D HN -0.003 nan 8.370 nan 0.000 0.484 102 P HA -0.092 nan 4.420 nan 0.000 0.225 102 P C 0.905 178.143 177.300 -0.103 0.000 1.148 102 P CA 0.783 63.834 63.100 -0.083 0.000 0.779 102 P CB 0.029 31.700 31.700 -0.048 0.000 0.780 103 A N -0.185 122.579 122.820 -0.094 0.000 2.070 103 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 103 A C 2.210 179.627 177.584 -0.278 0.000 1.159 103 A CA 1.027 52.994 52.037 -0.116 0.000 0.656 103 A CB -1.405 17.595 19.000 0.000 0.000 0.800 103 A HN 0.166 nan 8.150 nan 0.000 0.453 104 I N -1.193 119.170 120.570 -0.345 0.000 2.286 104 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 104 I C 2.460 178.289 176.117 -0.481 0.000 1.104 104 I CA 1.556 62.495 61.300 -0.602 0.000 1.397 104 I CB -0.175 37.475 38.000 -0.583 0.000 1.072 104 I HN 0.327 nan 8.210 nan 0.000 0.417 105 E N 1.160 121.201 120.200 -0.264 0.000 2.153 105 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 105 E C 2.222 178.694 176.600 -0.212 0.000 0.988 105 E CA 1.225 57.533 56.400 -0.153 0.000 0.811 105 E CB 0.057 29.738 29.700 -0.031 0.000 0.746 105 E HN 0.262 nan 8.360 nan 0.000 0.466 106 R N -0.519 119.848 120.500 -0.221 0.000 2.090 106 R HA 0.040 4.380 4.340 -0.000 0.000 0.228 106 R C 2.292 178.414 176.300 -0.297 0.000 1.110 106 R CA 0.979 56.937 56.100 -0.237 0.000 0.973 106 R CB -0.215 29.964 30.300 -0.201 0.000 0.869 106 R HN 0.167 nan 8.270 nan 0.000 0.440 107 A N 1.245 123.878 122.820 -0.311 0.000 1.898 107 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 107 A C 2.138 179.615 177.584 -0.178 0.000 1.181 107 A CA 1.012 52.914 52.037 -0.225 0.000 0.620 107 A CB -0.463 18.393 19.000 -0.239 0.000 0.819 107 A HN 0.151 nan 8.150 nan 0.000 0.442 108 L N -0.614 120.441 121.223 -0.280 0.000 2.042 108 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 108 L C 2.977 179.406 176.870 -0.736 0.000 1.076 108 L CA 1.158 55.780 54.840 -0.364 0.000 0.749 108 L CB -0.528 41.333 42.059 -0.330 0.000 0.893 108 L HN 0.418 nan 8.230 nan 0.000 0.432 109 A N -0.126 122.148 122.820 -0.909 0.000 2.178 109 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 109 A C 2.067 179.365 177.584 -0.477 0.000 1.157 109 A CA 1.501 52.998 52.037 -0.900 0.000 0.689 109 A CB -0.779 17.910 19.000 -0.520 0.000 0.787 109 A HN 0.481 nan 8.150 nan 0.000 0.465 110 G N -2.474 106.150 108.800 -0.294 0.000 3.277 110 G HA2 0.402 4.362 3.960 -0.000 0.000 0.243 110 G HA3 0.402 4.362 3.960 -0.000 0.000 0.243 110 G C 0.997 176.000 174.900 0.173 0.000 1.107 110 G CA 0.400 45.483 45.100 -0.029 0.000 0.771 110 G HN 1.516 nan 8.290 nan 0.000 0.544 111 G N -0.801 107.964 108.800 -0.060 0.000 2.132 111 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.234 111 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.234 111 G C 0.101 175.100 174.900 0.166 0.000 0.989 111 G CA 0.087 45.200 45.100 0.023 0.000 0.676 111 G HN 0.726 nan 8.290 nan 0.000 0.522 112 V N 1.362 121.410 119.914 0.224 0.000 2.432 112 V HA 0.612 4.732 4.120 -0.000 0.000 0.275 112 V C 1.402 177.639 176.094 0.237 0.000 1.043 112 V CA 0.736 63.206 62.300 0.284 0.000 0.925 112 V CB 1.289 33.304 31.823 0.320 0.000 0.985 112 V HN 0.678 nan 8.190 nan 0.000 0.466 113 T N -0.202 114.398 114.554 0.076 0.000 2.964 113 T HA 0.212 4.562 4.350 -0.000 0.000 0.249 113 T C 0.635 175.092 174.700 -0.405 0.000 1.000 113 T CA -0.011 62.062 62.100 -0.045 0.000 0.992 113 T CB 0.446 69.303 68.868 -0.018 0.000 1.087 113 T HN 0.475 nan 8.240 nan 0.000 0.489 114 S N 0.820 116.318 115.700 -0.337 0.000 2.536 114 S HA 0.818 5.288 4.470 -0.000 0.000 0.287 114 S C -0.709 173.701 174.600 -0.316 0.000 1.101 114 S CA -0.519 57.444 58.200 -0.396 0.000 0.950 114 S CB 2.270 65.355 63.200 -0.192 0.000 1.056 114 S HN 0.766 nan 8.310 nan 0.000 0.481 118 V N 5.371 125.244 119.914 -0.068 0.000 3.012 118 V HA 0.703 4.823 4.120 -0.000 0.000 0.307 118 V C -2.483 173.704 176.094 0.154 0.000 1.166 118 V CA -1.869 60.401 62.300 -0.050 0.000 0.974 118 V CB 3.179 34.843 31.823 -0.265 0.000 1.040 118 V HN 0.771 nan 8.190 nan 0.000 0.428 119 P HA 0.267 nan 4.420 nan 0.000 0.271 119 P C 0.164 177.584 177.300 0.201 0.000 1.233 119 P CA 0.466 63.637 63.100 0.118 0.000 0.789 119 P CB 0.459 32.182 31.700 0.038 0.000 0.951 120 G N -0.043 108.773 108.800 0.027 0.000 2.514 120 G HA2 0.274 4.234 3.960 -0.000 0.000 0.245 120 G HA3 0.274 4.234 3.960 -0.000 0.000 0.245 120 G C 0.302 175.241 174.900 0.065 0.000 1.488 120 G CA 0.008 45.108 45.100 -0.000 0.000 1.063 120 G HN 0.523 nan 8.290 nan 0.000 0.557 121 S N -1.587 114.101 115.700 -0.020 0.000 2.664 121 S HA 0.479 4.949 4.470 -0.000 0.000 0.245 121 S C 1.573 176.097 174.600 -0.126 0.000 1.019 121 S CA 0.672 58.758 58.200 -0.190 0.000 0.996 121 S CB 0.818 63.604 63.200 -0.689 0.000 0.878 121 S HN 0.831 nan 8.310 nan 0.000 0.493 122 A N 2.227 125.027 122.820 -0.034 0.000 1.930 122 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 122 A C 0.813 178.469 177.584 0.120 0.000 1.175 122 A CA 0.808 52.856 52.037 0.019 0.000 0.627 122 A CB -0.364 18.642 19.000 0.011 0.000 0.815 122 A HN 0.554 nan 8.150 nan 0.000 0.443 123 N N -0.783 117.963 118.700 0.076 0.000 2.430 123 N HA 0.378 5.118 4.740 -0.000 0.000 0.292 123 N C -2.264 173.200 175.510 -0.078 0.000 1.051 123 N CA -2.194 50.890 53.050 0.056 0.000 0.917 123 N CB 1.171 39.656 38.487 -0.004 0.000 1.164 123 N HN -0.153 nan 8.380 nan 0.000 0.484 124 P HA -0.145 nan 4.420 nan 0.000 0.216 124 P C -0.199 176.957 177.300 -0.241 0.000 1.157 124 P CA 1.305 64.257 63.100 -0.247 0.000 0.880 124 P CB 0.406 31.948 31.700 -0.263 0.000 0.791 125 V N -1.020 118.742 119.914 -0.253 0.000 2.349 125 V HA 0.446 4.566 4.120 -0.000 0.000 0.284 125 V C 1.254 177.225 176.094 -0.205 0.000 1.014 125 V CA -0.001 62.132 62.300 -0.278 0.000 0.826 125 V CB 0.985 32.487 31.823 -0.536 0.000 1.009 125 V HN 0.055 nan 8.190 nan 0.000 0.431 126 G N 2.424 111.152 108.800 -0.120 0.000 2.595 126 G HA2 0.566 4.525 3.960 -0.000 0.000 0.213 126 G HA3 0.566 4.525 3.960 -0.000 0.000 0.213 126 G C 0.607 175.460 174.900 -0.078 0.000 1.141 126 G CA 0.632 45.689 45.100 -0.073 0.000 0.806 126 G HN 1.354 nan 8.290 nan 0.000 0.530 127 G N -1.064 107.686 108.800 -0.083 0.000 2.334 127 G HA2 0.176 4.136 3.960 -0.000 0.000 0.315 127 G HA3 0.176 4.136 3.960 -0.000 0.000 0.315 127 G C -1.372 173.501 174.900 -0.045 0.000 1.284 127 G CA -0.947 44.104 45.100 -0.081 0.000 0.985 127 G HN 0.360 nan 8.290 nan 0.000 0.504 128 Q N -0.442 119.333 119.800 -0.043 0.000 2.241 128 Q HA 0.569 4.908 4.340 -0.000 0.000 0.254 128 Q C 0.587 176.574 176.000 -0.023 0.000 0.917 128 Q CA -0.103 55.686 55.803 -0.024 0.000 0.919 128 Q CB 1.898 30.623 28.738 -0.021 0.000 1.237 128 Q HN 0.954 nan 8.270 nan 0.000 0.434 129 G N 0.722 109.509 108.800 -0.022 0.000 2.451 129 G HA2 0.527 4.486 3.960 -0.000 0.000 0.303 129 G HA3 0.527 4.486 3.960 -0.000 0.000 0.303 129 G C -0.726 174.145 174.900 -0.048 0.000 1.166 129 G CA -0.325 44.751 45.100 -0.041 0.000 0.884 129 G HN 0.458 nan 8.290 nan 0.000 0.514 130 S N -1.228 114.426 115.700 -0.076 0.000 2.546 130 S HA 0.499 4.969 4.470 -0.000 0.000 0.274 130 S C -0.510 174.015 174.600 -0.126 0.000 1.121 130 S CA -0.486 57.659 58.200 -0.092 0.000 0.887 130 S CB 2.064 65.200 63.200 -0.107 0.000 1.094 130 S HN 0.520 nan 8.310 nan 0.000 0.474 131 V N 3.708 123.552 119.914 -0.116 0.000 2.407 131 V HA 0.581 4.701 4.120 -0.000 0.000 0.278 131 V C -0.155 175.831 176.094 -0.181 0.000 1.037 131 V CA -0.432 61.784 62.300 -0.139 0.000 0.900 131 V CB 0.417 32.181 31.823 -0.097 0.000 0.983 131 V HN 0.765 nan 8.190 nan 0.000 0.459 132 I N 2.254 122.671 120.570 -0.256 0.000 3.042 132 I HA 0.750 4.920 4.170 -0.000 0.000 0.310 132 I C -0.635 175.281 176.117 -0.335 0.000 1.117 132 I CA -0.899 60.227 61.300 -0.291 0.000 1.003 132 I CB 2.142 39.879 38.000 -0.438 0.000 1.228 132 I HN 0.354 nan 8.210 nan 0.000 0.443 133 K N 2.012 122.255 120.400 -0.261 0.000 2.267 133 K HA 0.497 4.816 4.320 -0.000 0.000 0.246 133 K C -1.299 175.213 176.600 -0.147 0.000 0.954 133 K CA -0.644 55.467 56.287 -0.293 0.000 0.824 133 K CB 1.688 34.108 32.500 -0.133 0.000 1.167 133 K HN 0.452 nan 8.250 nan 0.000 0.431 134 F N 2.649 122.616 119.950 0.027 0.000 2.705 134 F HA 0.144 4.671 4.527 -0.000 0.000 0.355 134 F C 1.433 177.264 175.800 0.052 0.000 1.172 134 F CA -0.393 57.644 58.000 0.061 0.000 1.332 134 F CB -0.653 38.373 39.000 0.043 0.000 1.621 134 F HN 0.430 nan 8.300 nan 0.000 0.605 135 R N -1.395 119.217 120.500 0.188 0.000 2.265 135 R HA 0.310 4.650 4.340 -0.000 0.000 0.194 135 R C 0.576 176.943 176.300 0.112 0.000 0.931 135 R CA 0.197 56.372 56.100 0.124 0.000 1.032 135 R CB 0.457 30.803 30.300 0.077 0.000 0.980 135 R HN 0.215 nan 8.270 nan 0.000 0.497 136 S N -0.101 115.678 115.700 0.131 0.000 2.567 136 S HA 0.238 4.708 4.470 -0.000 0.000 0.270 136 S C 0.215 174.884 174.600 0.115 0.000 1.152 136 S CA -0.975 57.285 58.200 0.100 0.000 0.835 136 S CB 1.136 64.384 63.200 0.080 0.000 1.115 136 S HN 0.310 nan 8.310 nan 0.000 0.459 137 I N 0.487 121.103 120.570 0.076 0.000 3.428 137 I HA 0.426 4.596 4.170 -0.000 0.000 0.286 137 I C -0.111 176.050 176.117 0.073 0.000 1.287 137 I CA 0.402 61.739 61.300 0.062 0.000 1.396 137 I CB -0.235 37.779 38.000 0.023 0.000 1.062 137 I HN 0.367 nan 8.210 nan 0.000 0.471 138 I N 1.500 122.117 120.570 0.077 0.000 2.301 138 I HA 0.080 4.250 4.170 -0.000 0.000 0.292 138 I C 1.267 177.445 176.117 0.102 0.000 1.046 138 I CA -0.179 61.165 61.300 0.074 0.000 1.282 138 I CB 1.887 39.918 38.000 0.051 0.000 1.409 138 I HN -0.039 nan 8.210 nan 0.000 0.484 139 V N 5.679 125.670 119.914 0.128 0.000 2.287 139 V HA -0.274 3.845 4.120 -0.000 0.000 0.248 139 V C 2.276 178.417 176.094 0.079 0.000 1.053 139 V CA 2.350 64.747 62.300 0.162 0.000 1.027 139 V CB -0.115 31.838 31.823 0.217 0.000 0.646 139 V HN 0.932 nan 8.190 nan 0.000 0.447 140 E N 0.223 120.458 120.200 0.057 0.000 2.136 140 E HA -0.303 4.047 4.350 -0.000 0.000 0.208 140 E C 2.074 178.689 176.600 0.025 0.000 1.035 140 E CA 2.479 58.898 56.400 0.032 0.000 0.838 140 E CB -0.236 29.483 29.700 0.030 0.000 0.748 140 E HN 0.789 nan 8.360 nan 0.000 0.459 141 E N -1.304 118.919 120.200 0.038 0.000 2.358 141 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 141 E C 1.905 178.523 176.600 0.030 0.000 1.010 141 E CA 0.692 57.113 56.400 0.034 0.000 0.856 141 E CB 0.042 29.768 29.700 0.043 0.000 0.795 141 E HN 0.361 nan 8.360 nan 0.000 0.504 142 C N 0.873 120.194 119.300 0.034 0.000 2.495 142 C HA 0.131 4.591 4.460 -0.000 0.000 0.275 142 C C 1.331 176.287 174.990 -0.057 0.000 1.392 142 C CA -0.557 58.465 59.018 0.008 0.000 1.766 142 C CB -0.507 27.258 27.740 0.041 0.000 1.933 142 C HN 0.264 nan 8.230 nan 0.000 0.519 143 I N 1.329 121.869 120.570 -0.050 0.000 2.668 143 I HA 0.000 4.170 4.170 -0.000 0.000 0.285 143 I C 1.070 177.152 176.117 -0.058 0.000 1.168 143 I CA 0.345 61.603 61.300 -0.070 0.000 1.424 143 I CB 0.729 38.703 38.000 -0.044 0.000 1.377 143 I HN 0.026 nan 8.210 nan 0.000 0.560 144 V N 5.096 124.965 119.914 -0.075 0.000 2.908 144 V HA 0.115 4.235 4.120 -0.000 0.000 0.240 144 V C 0.500 176.568 176.094 -0.044 0.000 1.117 144 V CA 0.586 62.852 62.300 -0.056 0.000 1.133 144 V CB -0.048 31.733 31.823 -0.069 0.000 0.857 144 V HN 0.729 nan 8.190 nan 0.000 0.478 145 K N 0.892 121.260 120.400 -0.052 0.000 2.619 145 K HA 0.431 4.751 4.320 -0.000 0.000 0.251 145 K C -2.274 174.301 176.600 -0.041 0.000 0.987 145 K CA -0.327 55.938 56.287 -0.037 0.000 0.844 145 K CB 1.849 34.331 32.500 -0.030 0.000 1.237 145 K HN 0.256 nan 8.250 nan 0.000 0.447 146 D N 4.756 125.139 120.400 -0.028 0.000 2.970 146 D HA 0.386 5.026 4.640 -0.000 0.000 0.230 146 D C -2.319 173.975 176.300 -0.010 0.000 1.276 146 D CA -1.140 52.845 54.000 -0.026 0.000 0.910 146 D CB 1.550 42.331 40.800 -0.031 0.000 1.590 146 D HN 0.270 nan 8.370 nan 0.000 0.551 147 P HA 0.392 nan 4.420 nan 0.000 0.276 147 P C -0.471 176.825 177.300 -0.007 0.000 1.244 147 P CA -0.588 62.507 63.100 -0.008 0.000 0.801 147 P CB 1.822 33.523 31.700 0.002 0.000 1.006 148 A N 0.358 123.171 122.820 -0.013 0.000 2.324 148 A HA 0.580 4.900 4.320 -0.000 0.000 0.220 148 A C 0.804 178.393 177.584 0.007 0.000 1.209 148 A CA 0.745 52.778 52.037 -0.008 0.000 0.918 148 A CB -0.025 18.961 19.000 -0.024 0.000 0.959 148 A HN 0.830 nan 8.150 nan 0.000 0.507 149 G N -1.130 107.676 108.800 0.010 0.000 2.387 149 G HA2 0.473 4.433 3.960 -0.000 0.000 0.294 149 G HA3 0.473 4.433 3.960 -0.000 0.000 0.294 149 G C -2.110 172.805 174.900 0.024 0.000 1.509 149 G CA -0.526 44.590 45.100 0.026 0.000 0.806 149 G HN 0.600 nan 8.290 nan 0.000 0.546 150 L N 0.840 122.084 121.223 0.036 0.000 2.294 150 L HA 0.775 5.115 4.340 -0.000 0.000 0.283 150 L C 0.348 177.248 176.870 0.051 0.000 1.015 150 L CA -0.993 53.864 54.840 0.027 0.000 0.831 150 L CB 1.150 43.225 42.059 0.027 0.000 1.217 150 L HN 0.643 nan 8.230 nan 0.000 0.420 154 F N 0.856 120.966 119.950 0.267 0.000 2.654 154 F HA 0.859 5.386 4.527 -0.000 0.000 0.334 154 F C 1.132 177.079 175.800 0.245 0.000 1.078 154 F CA 0.527 58.650 58.000 0.207 0.000 0.986 154 F CB 1.888 40.987 39.000 0.165 0.000 1.362 154 F HN 1.846 nan 8.300 nan 0.000 0.498 155 G N 0.873 109.897 108.800 0.373 0.000 2.542 155 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.235 155 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.235 155 G C 0.593 175.621 174.900 0.212 0.000 1.286 155 G CA 0.192 45.461 45.100 0.281 0.000 0.904 155 G HN 0.642 nan 8.290 nan 0.000 0.577 156 E N 0.462 120.778 120.200 0.192 0.000 2.106 156 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 156 E C 2.428 179.093 176.600 0.109 0.000 0.984 156 E CA 1.238 57.713 56.400 0.125 0.000 0.806 156 E CB -0.152 29.602 29.700 0.089 0.000 0.750 156 E HN 0.400 nan 8.360 nan 0.000 0.458 157 N N 0.644 119.423 118.700 0.132 0.000 2.025 157 N HA -0.120 4.620 4.740 -0.000 0.000 0.194 157 N C -0.988 174.556 175.510 0.056 0.000 1.044 157 N CA 1.410 54.501 53.050 0.069 0.000 0.851 157 N CB -1.594 36.908 38.487 0.026 0.000 1.036 157 N HN 0.207 nan 8.380 nan 0.000 0.422 158 P HA -0.151 nan 4.420 nan 0.000 0.217 158 P C 1.119 178.519 177.300 0.168 0.000 1.150 158 P CA 1.758 64.931 63.100 0.123 0.000 0.832 158 P CB -0.038 31.693 31.700 0.051 0.000 0.787 159 K N 0.212 120.681 120.400 0.114 0.000 2.217 159 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 159 K C 2.427 179.073 176.600 0.077 0.000 1.051 159 K CA 0.565 56.916 56.287 0.106 0.000 0.952 159 K CB -0.428 32.124 32.500 0.086 0.000 0.736 159 K HN -0.062 nan 8.250 nan 0.000 0.453 160 R N 1.373 121.903 120.500 0.050 0.000 2.062 160 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 160 R C 2.058 178.337 176.300 -0.034 0.000 1.136 160 R CA 1.396 57.503 56.100 0.012 0.000 0.948 160 R CB -0.334 29.970 30.300 0.007 0.000 0.845 160 R HN 0.104 nan 8.270 nan 0.000 0.430 161 V N 0.514 120.384 119.914 -0.073 0.000 2.287 161 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 161 V C 1.995 177.835 176.094 -0.424 0.000 1.053 161 V CA 1.912 64.056 62.300 -0.260 0.000 1.027 161 V CB -0.615 31.001 31.823 -0.345 0.000 0.646 161 V HN 0.377 nan 8.190 nan 0.000 0.447 162 Y N 0.733 121.027 120.300 -0.009 0.000 2.365 162 Y HA 0.123 4.673 4.550 -0.000 0.000 0.293 162 Y C 2.495 178.393 175.900 -0.004 0.000 1.119 162 Y CA 0.949 59.043 58.100 -0.010 0.000 1.203 162 Y CB -1.000 37.450 38.460 -0.018 0.000 1.026 162 Y HN 0.246 nan 8.280 nan 0.000 0.549 163 G N 0.080 108.930 108.800 0.083 0.000 2.440 163 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 163 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 163 G C 1.440 176.348 174.900 0.013 0.000 1.154 163 G CA 1.076 46.205 45.100 0.049 0.000 0.767 163 G HN 0.395 nan 8.290 nan 0.000 0.552 164 E N 0.006 120.193 120.200 -0.022 0.000 2.153 164 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 164 E C 2.554 179.131 176.600 -0.037 0.000 0.988 164 E CA 0.424 56.802 56.400 -0.036 0.000 0.811 164 E CB -0.053 29.612 29.700 -0.058 0.000 0.746 164 E HN 0.329 nan 8.360 nan 0.000 0.466 165 R N 0.445 120.915 120.500 -0.050 0.000 2.323 165 R HA 0.019 4.359 4.340 -0.000 0.000 0.198 165 R C 0.147 176.463 176.300 0.027 0.000 0.988 165 R CA 0.170 56.259 56.100 -0.019 0.000 1.041 165 R CB 0.120 30.404 30.300 -0.026 0.000 0.926 165 R HN -0.102 nan 8.270 nan 0.000 0.476 166 K N 0.826 121.245 120.400 0.031 0.000 3.071 166 K HA -0.226 4.094 4.320 -0.000 0.000 0.265 166 K C -0.705 175.929 176.600 0.056 0.000 1.060 166 K CA 0.830 57.139 56.287 0.037 0.000 0.767 166 K CB -1.173 31.342 32.500 0.024 0.000 1.241 166 K HN 0.370 nan 8.250 nan 0.000 0.486 167 Q N -0.461 119.394 119.800 0.092 0.000 2.397 167 Q HA 0.411 4.751 4.340 -0.000 0.000 0.275 167 Q C -0.888 175.175 176.000 0.106 0.000 1.090 167 Q CA -0.761 55.106 55.803 0.107 0.000 0.809 167 Q CB 1.557 30.398 28.738 0.172 0.000 1.362 167 Q HN 0.157 nan 8.270 nan 0.000 0.431 168 T N 4.958 119.540 114.554 0.046 0.000 2.867 168 T HA 0.212 4.562 4.350 -0.000 0.000 0.297 168 T C -2.325 172.351 174.700 -0.040 0.000 0.989 168 T CA -0.482 61.626 62.100 0.013 0.000 1.159 168 T CB 0.374 69.235 68.868 -0.011 0.000 0.928 168 T HN 0.399 nan 8.240 nan 0.000 0.538 169 P HA 0.345 nan 4.420 nan 0.000 0.296 169 P C -0.012 177.344 177.300 0.094 0.000 1.301 169 P CA -0.758 62.363 63.100 0.036 0.000 0.862 169 P CB 1.561 33.267 31.700 0.010 0.000 1.046 170 S N 0.041 115.784 115.700 0.072 0.000 2.603 170 S HA 0.208 4.678 4.470 -0.000 0.000 0.232 170 S C 0.559 175.195 174.600 0.061 0.000 1.016 170 S CA -0.026 58.216 58.200 0.070 0.000 0.976 170 S CB -0.514 62.720 63.200 0.056 0.000 0.921 170 S HN 0.640 nan 8.310 nan 0.000 0.516 171 T N -0.929 113.662 114.554 0.061 0.000 2.864 171 T HA 0.617 4.967 4.350 -0.000 0.000 0.299 171 T C -0.293 174.453 174.700 0.075 0.000 1.166 171 T CA -1.024 61.113 62.100 0.063 0.000 1.007 171 T CB 1.736 70.636 68.868 0.055 0.000 1.219 171 T HN 0.172 nan 8.240 nan 0.000 0.506 175 T N 2.213 116.788 114.554 0.035 0.000 2.684 175 T HA 0.016 4.366 4.350 -0.000 0.000 0.267 175 T C 2.723 177.424 174.700 0.002 0.000 1.036 175 T CA 2.495 64.585 62.100 -0.016 0.000 1.148 175 T CB -0.424 68.435 68.868 -0.015 0.000 0.863 175 T HN 0.582 nan 8.240 nan 0.000 0.436 176 A N 1.421 124.312 122.820 0.119 0.000 1.902 176 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 176 A C 2.661 180.348 177.584 0.171 0.000 1.181 176 A CA 1.936 54.102 52.037 0.215 0.000 0.623 176 A CB -1.442 17.713 19.000 0.258 0.000 0.818 176 A HN 0.520 nan 8.150 nan 0.000 0.443 177 G N -0.546 108.326 108.800 0.120 0.000 2.440 177 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 177 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 177 G C 1.521 176.472 174.900 0.085 0.000 1.154 177 G CA 1.297 46.461 45.100 0.106 0.000 0.767 177 G HN 0.329 nan 8.290 nan 0.000 0.552 178 V N 1.016 120.950 119.914 0.033 0.000 2.343 178 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 178 V C 2.794 178.896 176.094 0.013 0.000 1.051 178 V CA 1.669 63.959 62.300 -0.016 0.000 1.036 178 V CB -0.339 31.424 31.823 -0.100 0.000 0.654 178 V HN 0.407 nan 8.190 nan 0.000 0.451 179 I N -0.882 119.716 120.570 0.047 0.000 2.252 179 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 179 I C 2.763 179.031 176.117 0.252 0.000 1.102 179 I CA 1.406 62.786 61.300 0.133 0.000 1.385 179 I CB -0.455 37.656 38.000 0.185 0.000 1.064 179 I HN 0.157 nan 8.210 nan 0.000 0.414 180 R N 0.550 121.226 120.500 0.294 0.000 2.091 180 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 180 R C 1.958 178.406 176.300 0.247 0.000 1.136 180 R CA 2.291 58.621 56.100 0.384 0.000 0.959 180 R CB -0.499 30.032 30.300 0.385 0.000 0.856 180 R HN 0.392 nan 8.270 nan 0.000 0.437 181 D N -0.431 120.064 120.400 0.158 0.000 2.117 181 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 181 D C 1.835 178.155 176.300 0.034 0.000 0.987 181 D CA 1.071 55.130 54.000 0.098 0.000 0.829 181 D CB -0.134 40.704 40.800 0.064 0.000 0.961 181 D HN 0.195 nan 8.370 nan 0.000 0.460 182 Y N 0.054 120.263 120.300 -0.151 0.000 2.097 182 Y HA -0.223 4.326 4.550 -0.000 0.000 0.282 182 Y C 1.726 177.387 175.900 -0.397 0.000 1.152 182 Y CA 1.717 59.624 58.100 -0.323 0.000 1.136 182 Y CB -0.790 37.376 38.460 -0.490 0.000 0.975 182 Y HN 0.019 nan 8.280 nan 0.000 0.498 183 F N -0.040 119.602 119.950 -0.514 0.000 2.293 183 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 183 F C 2.464 177.998 175.800 -0.443 0.000 1.086 183 F CA 1.731 59.252 58.000 -0.799 0.000 1.375 183 F CB -1.070 37.116 39.000 -1.356 0.000 1.045 183 F HN -0.014 nan 8.300 nan 0.000 0.516 184 T N -0.214 114.330 114.554 -0.017 0.000 2.720 184 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 184 T C 1.934 176.661 174.700 0.045 0.000 1.037 184 T CA 1.529 63.728 62.100 0.165 0.000 1.144 184 T CB -0.196 68.792 68.868 0.199 0.000 0.864 184 T HN 0.181 nan 8.240 nan 0.000 0.444 185 K N 0.525 120.888 120.400 -0.061 0.000 2.097 185 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 185 K C 2.288 178.830 176.600 -0.095 0.000 1.050 185 K CA 0.656 56.901 56.287 -0.070 0.000 0.938 185 K CB -0.409 32.031 32.500 -0.100 0.000 0.718 185 K HN 0.114 nan 8.250 nan 0.000 0.442 186 V N 2.186 121.942 119.914 -0.263 0.000 2.287 186 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 186 V C 2.062 178.181 176.094 0.043 0.000 1.053 186 V CA 1.765 63.946 62.300 -0.198 0.000 1.027 186 V CB -0.425 31.180 31.823 -0.363 0.000 0.646 186 V HN 0.309 nan 8.190 nan 0.000 0.447 187 K N 0.084 120.525 120.400 0.069 0.000 2.063 187 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 187 K C 2.032 178.692 176.600 0.100 0.000 1.048 187 K CA 1.632 57.990 56.287 0.117 0.000 0.928 187 K CB -0.502 32.101 32.500 0.170 0.000 0.713 187 K HN 0.452 nan 8.250 nan 0.000 0.442 188 N N 0.596 119.354 118.700 0.098 0.000 2.104 188 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 188 N C 1.085 176.667 175.510 0.118 0.000 1.024 188 N CA 0.828 53.935 53.050 0.095 0.000 0.853 188 N CB -0.598 37.944 38.487 0.092 0.000 1.008 188 N HN 0.225 nan 8.380 nan 0.000 0.424 192 K N 2.017 122.361 120.400 -0.093 0.000 2.057 192 K HA -0.056 4.263 4.320 -0.000 0.000 0.207 192 K C 1.702 178.174 176.600 -0.213 0.000 1.049 192 K CA 1.404 57.655 56.287 -0.060 0.000 0.931 192 K CB 0.019 32.569 32.500 0.083 0.000 0.714 192 K HN 0.049 nan 8.250 nan 0.000 0.440 193 K N 0.940 120.996 120.400 -0.574 0.000 2.097 193 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 193 K C 1.970 178.359 176.600 -0.352 0.000 1.049 193 K CA 1.426 57.242 56.287 -0.784 0.000 0.933 193 K CB 0.059 31.989 32.500 -0.950 0.000 0.717 193 K HN 0.184 nan 8.250 nan 0.000 0.442 194 E N 0.473 120.532 120.200 -0.235 0.000 2.107 194 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 194 E C 1.814 178.365 176.600 -0.082 0.000 0.982 194 E CA 0.541 56.862 56.400 -0.131 0.000 0.809 194 E CB 0.041 29.685 29.700 -0.094 0.000 0.756 194 E HN 0.081 nan 8.360 nan 0.000 0.459 195 L N 0.501 121.682 121.223 -0.069 0.000 2.201 195 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 195 L C 1.965 178.829 176.870 -0.010 0.000 1.105 195 L CA 1.582 56.406 54.840 -0.027 0.000 0.775 195 L CB -0.267 41.787 42.059 -0.008 0.000 0.913 195 L HN 0.027 nan 8.230 nan 0.000 0.440 196 A N -1.109 121.703 122.820 -0.014 0.000 1.903 196 A HA -0.159 4.160 4.320 -0.000 0.000 0.213 196 A C 2.228 179.813 177.584 0.002 0.000 1.185 196 A CA 1.083 53.137 52.037 0.029 0.000 0.628 196 A CB -0.549 18.521 19.000 0.117 0.000 0.830 196 A HN 0.520 nan 8.150 nan 0.000 0.446 197 Q N 0.954 120.730 119.800 -0.040 0.000 2.077 197 Q HA -0.274 4.066 4.340 -0.000 0.000 0.206 197 Q C 1.873 177.861 176.000 -0.021 0.000 0.989 197 Q CA 2.760 58.541 55.803 -0.037 0.000 0.853 197 Q CB -0.292 28.407 28.738 -0.066 0.000 0.907 197 Q HN 0.686 nan 8.270 nan 0.000 0.418 198 K N 0.234 120.621 120.400 -0.022 0.000 2.103 198 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 198 K C 0.522 177.119 176.600 -0.005 0.000 1.052 198 K CA 0.969 57.248 56.287 -0.013 0.000 0.945 198 K CB -0.203 32.289 32.500 -0.015 0.000 0.722 198 K HN 0.154 nan 8.250 nan 0.000 0.443 199 E N 0.337 120.536 120.200 -0.000 0.000 2.605 199 E HA 0.073 4.423 4.350 -0.000 0.000 0.255 199 E C 1.143 177.748 176.600 0.008 0.000 1.369 199 E CA 0.491 56.894 56.400 0.006 0.000 1.017 199 E CB 0.025 29.732 29.700 0.012 0.000 1.086 199 E HN 0.403 nan 8.360 nan 0.000 0.605 200 G N -0.004 108.802 108.800 0.010 0.000 3.141 200 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.218 200 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.218 200 G C 0.265 175.175 174.900 0.016 0.000 1.170 200 G CA -0.053 45.054 45.100 0.011 0.000 0.769 200 G HN 0.089 nan 8.290 nan 0.000 0.546 201 K N 0.971 121.385 120.400 0.023 0.000 2.159 201 K HA 0.296 4.616 4.320 -0.000 0.000 0.266 201 K C -0.370 176.260 176.600 0.051 0.000 0.975 201 K CA -0.565 55.741 56.287 0.032 0.000 0.865 201 K CB 2.164 34.683 32.500 0.032 0.000 1.087 201 K HN 0.122 nan 8.250 nan 0.000 0.446 202 E N 2.374 122.602 120.200 0.047 0.000 2.384 202 E HA -0.038 4.312 4.350 -0.000 0.000 0.266 202 E C -0.967 175.697 176.600 0.107 0.000 1.012 202 E CA -0.333 56.107 56.400 0.068 0.000 0.901 202 E CB 0.438 30.162 29.700 0.040 0.000 0.967 202 E HN 0.293 nan 8.360 nan 0.000 0.435 203 F N 3.934 123.864 119.950 -0.033 0.000 2.504 203 F HA 0.043 4.570 4.527 -0.000 0.000 0.369 203 F C 1.020 176.805 175.800 -0.025 0.000 1.082 203 F CA 0.271 58.244 58.000 -0.046 0.000 1.216 203 F CB 0.821 39.774 39.000 -0.079 0.000 1.108 203 F HN 0.432 nan 8.300 nan 0.000 0.554 204 T N 0.739 114.961 114.554 -0.553 0.000 3.182 204 T HA 0.293 4.643 4.350 -0.000 0.000 0.277 204 T C 0.231 174.599 174.700 -0.553 0.000 1.013 204 T CA -0.191 61.665 62.100 -0.407 0.000 0.900 204 T CB -0.425 68.320 68.868 -0.205 0.000 1.098 204 T HN 0.694 nan 8.240 nan 0.000 0.543 205 E N 1.403 120.921 120.200 -1.138 0.000 3.157 205 E HA 0.166 4.516 4.350 -0.000 0.000 0.203 205 E C -0.637 175.786 176.600 -0.295 0.000 0.982 205 E CA -0.365 55.615 56.400 -0.700 0.000 1.217 205 E CB 0.770 30.134 29.700 -0.559 0.000 1.123 205 E HN 0.333 nan 8.360 nan 0.000 0.457 206 T N 1.652 116.130 114.554 -0.127 0.000 2.902 206 T HA 0.017 4.366 4.350 -0.000 0.000 0.301 206 T C -0.204 174.639 174.700 0.237 0.000 1.012 206 T CA 0.446 62.740 62.100 0.323 0.000 1.151 206 T CB 0.498 69.502 68.868 0.226 0.000 0.946 206 T HN 0.075 nan 8.240 nan 0.000 0.542 207 D N 2.734 123.300 120.400 0.276 0.000 2.686 207 D HA 0.185 4.825 4.640 -0.000 0.000 0.249 207 D C 0.656 176.918 176.300 -0.063 0.000 1.260 207 D CA -0.722 53.289 54.000 0.018 0.000 0.910 207 D CB 1.441 42.185 40.800 -0.093 0.000 1.323 207 D HN 0.195 nan 8.370 nan 0.000 0.561 208 L N 3.745 124.949 121.223 -0.032 0.000 2.043 208 L HA -0.084 4.255 4.340 -0.000 0.000 0.212 208 L C 1.268 178.119 176.870 -0.031 0.000 1.075 208 L CA 1.756 56.594 54.840 -0.003 0.000 0.752 208 L CB -0.391 41.685 42.059 0.028 0.000 0.891 208 L HN 0.399 nan 8.230 nan 0.000 0.432 212 V N 1.308 121.238 119.914 0.026 0.000 2.427 212 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 212 V C 2.341 178.477 176.094 0.071 0.000 1.051 212 V CA 2.356 64.687 62.300 0.051 0.000 1.048 212 V CB -1.080 30.774 31.823 0.051 0.000 0.666 212 V HN 0.302 nan 8.190 nan 0.000 0.456 213 G N -0.050 108.784 108.800 0.057 0.000 2.418 213 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 213 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 213 G C 0.867 175.817 174.900 0.084 0.000 1.158 213 G CA 0.652 45.768 45.100 0.027 0.000 0.771 213 G HN 0.621 nan 8.290 nan 0.000 0.545 217 L N 0.456 121.733 121.223 0.090 0.000 2.201 217 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 217 L C 2.221 179.156 176.870 0.109 0.000 1.105 217 L CA 1.598 56.511 54.840 0.122 0.000 0.775 217 L CB -0.402 41.741 42.059 0.140 0.000 0.913 217 L HN 0.323 nan 8.230 nan 0.000 0.440 218 R N 0.356 120.907 120.500 0.086 0.000 2.320 218 R HA 0.021 4.361 4.340 -0.000 0.000 0.211 218 R C 0.277 176.617 176.300 0.065 0.000 0.931 218 R CA -0.065 56.075 56.100 0.067 0.000 1.071 218 R CB 0.115 30.447 30.300 0.054 0.000 1.025 218 R HN 0.195 nan 8.270 nan 0.000 0.495 219 K N -0.374 120.074 120.400 0.081 0.000 3.130 219 K HA -0.272 4.047 4.320 -0.000 0.000 0.282 219 K C 0.387 177.023 176.600 0.060 0.000 1.145 219 K CA 0.989 57.324 56.287 0.080 0.000 0.831 219 K CB -0.867 31.677 32.500 0.073 0.000 1.226 219 K HN 0.255 nan 8.250 nan 0.000 0.478 220 K N 0.408 120.840 120.400 0.054 0.000 2.148 220 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 220 K C 1.266 177.891 176.600 0.042 0.000 1.050 220 K CA 1.457 57.770 56.287 0.043 0.000 0.942 220 K CB -0.080 32.444 32.500 0.040 0.000 0.724 220 K HN 0.488 nan 8.250 nan 0.000 0.446 221 I N -2.202 118.397 120.570 0.048 0.000 2.865 221 I HA 0.439 4.609 4.170 -0.000 0.000 0.302 221 I C -2.982 173.171 176.117 0.059 0.000 1.140 221 I CA -3.070 58.257 61.300 0.046 0.000 1.021 221 I CB 2.401 40.423 38.000 0.036 0.000 1.233 221 I HN -0.258 nan 8.210 nan 0.000 0.427 222 P HA 0.289 nan 4.420 nan 0.000 0.279 222 P C -0.572 176.780 177.300 0.087 0.000 1.252 222 P CA -0.273 62.884 63.100 0.096 0.000 0.811 222 P CB 1.233 32.988 31.700 0.092 0.000 1.035 223 A N 3.145 126.040 122.820 0.125 0.000 2.440 223 A HA 0.350 4.670 4.320 -0.000 0.000 0.251 223 A C 0.560 178.244 177.584 0.167 0.000 1.089 223 A CA -0.125 51.990 52.037 0.131 0.000 0.779 223 A CB -0.126 19.000 19.000 0.209 0.000 1.022 223 A HN 0.387 nan 8.150 nan 0.000 0.492 227 A N 5.089 127.768 122.820 -0.235 0.000 2.540 227 A HA 0.489 4.809 4.320 -0.000 0.000 0.297 227 A C -0.937 176.420 177.584 -0.379 0.000 1.056 227 A CA -0.574 51.356 52.037 -0.178 0.000 0.700 227 A CB 1.223 20.178 19.000 -0.074 0.000 1.280 227 A HN 0.823 nan 8.150 nan 0.000 0.398 228 H N 1.051 120.081 119.070 -0.066 0.000 2.348 228 H HA 0.221 4.777 4.556 -0.000 0.000 0.306 228 H C 0.864 176.160 175.328 -0.053 0.000 1.034 228 H CA 0.415 56.422 56.048 -0.068 0.000 1.395 228 H CB 0.101 29.817 29.762 -0.076 0.000 1.495 228 H HN 0.687 nan 8.280 nan 0.000 0.616 229 R N 1.199 121.762 120.500 0.105 0.000 2.590 229 R HA 0.162 4.502 4.340 -0.000 0.000 0.274 229 R C 1.210 177.494 176.300 -0.027 0.000 1.061 229 R CA 0.402 56.518 56.100 0.027 0.000 1.081 229 R CB 0.743 31.067 30.300 0.039 0.000 0.984 229 R HN 0.272 nan 8.270 nan 0.000 0.448 230 A N 3.427 126.206 122.820 -0.069 0.000 1.917 230 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 230 A C 1.548 179.086 177.584 -0.077 0.000 1.182 230 A CA 2.011 53.990 52.037 -0.097 0.000 0.633 230 A CB -0.528 18.396 19.000 -0.127 0.000 0.819 230 A HN 0.972 nan 8.150 nan 0.000 0.448 231 D N 0.005 120.374 120.400 -0.051 0.000 2.144 231 D HA -0.184 4.456 4.640 -0.000 0.000 0.199 231 D C 0.963 177.232 176.300 -0.052 0.000 0.984 231 D CA 1.457 55.432 54.000 -0.041 0.000 0.834 231 D CB -0.761 40.031 40.800 -0.013 0.000 0.955 231 D HN 0.410 nan 8.370 nan 0.000 0.465 232 D N 0.639 121.018 120.400 -0.036 0.000 2.144 232 D HA -0.041 4.598 4.640 -0.000 0.000 0.200 232 D C 2.424 178.577 176.300 -0.246 0.000 0.978 232 D CA 0.446 54.406 54.000 -0.066 0.000 0.833 232 D CB -0.078 40.765 40.800 0.071 0.000 0.961 232 D HN 0.351 nan 8.370 nan 0.000 0.470 233 I N 0.775 121.240 120.570 -0.174 0.000 2.163 233 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 233 I C 2.432 178.425 176.117 -0.207 0.000 1.085 233 I CA 0.852 62.033 61.300 -0.197 0.000 1.347 233 I CB -0.213 37.709 38.000 -0.130 0.000 1.044 233 I HN -0.045 nan 8.210 nan 0.000 0.408 234 L N -0.236 120.893 121.223 -0.157 0.000 2.093 234 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 234 L C 2.607 179.389 176.870 -0.147 0.000 1.085 234 L CA 1.309 56.072 54.840 -0.129 0.000 0.755 234 L CB -0.872 41.134 42.059 -0.089 0.000 0.904 234 L HN 0.234 nan 8.230 nan 0.000 0.435 235 T N -0.031 114.417 114.554 -0.177 0.000 2.708 235 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 235 T C 2.070 176.607 174.700 -0.272 0.000 1.037 235 T CA 1.348 63.352 62.100 -0.159 0.000 1.146 235 T CB -0.255 68.557 68.868 -0.092 0.000 0.865 235 T HN 0.442 nan 8.240 nan 0.000 0.435 236 A N 1.212 123.656 122.820 -0.627 0.000 1.892 236 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 236 A C 2.275 179.750 177.584 -0.182 0.000 1.188 236 A CA 1.510 53.192 52.037 -0.590 0.000 0.631 236 A CB -0.866 17.716 19.000 -0.696 0.000 0.822 236 A HN 0.547 nan 8.150 nan 0.000 0.447 237 I N -1.162 119.302 120.570 -0.178 0.000 2.226 237 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 237 I C 2.774 178.810 176.117 -0.135 0.000 1.100 237 I CA 1.323 62.543 61.300 -0.135 0.000 1.374 237 I CB -0.365 37.566 38.000 -0.114 0.000 1.057 237 I HN 0.275 nan 8.210 nan 0.000 0.413 238 R N 0.636 121.072 120.500 -0.106 0.000 2.091 238 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 238 R C 2.344 178.600 176.300 -0.073 0.000 1.136 238 R CA 1.571 57.622 56.100 -0.082 0.000 0.959 238 R CB -0.400 29.872 30.300 -0.045 0.000 0.856 238 R HN 0.368 nan 8.270 nan 0.000 0.437 239 I N 0.265 120.837 120.570 0.003 0.000 2.252 239 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 239 I C 2.608 178.645 176.117 -0.133 0.000 1.102 239 I CA 1.098 62.477 61.300 0.131 0.000 1.385 239 I CB -0.375 37.859 38.000 0.389 0.000 1.064 239 I HN 0.175 nan 8.210 nan 0.000 0.414 240 A N 0.528 123.086 122.820 -0.437 0.000 1.908 240 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 240 A C 2.199 179.319 177.584 -0.775 0.000 1.181 240 A CA 1.969 53.274 52.037 -1.220 0.000 0.627 240 A CB -0.613 17.984 19.000 -0.673 0.000 0.818 240 A HN 0.466 nan 8.150 nan 0.000 0.445 241 E N -0.916 119.049 120.200 -0.391 0.000 2.107 241 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 241 E C 2.046 178.492 176.600 -0.256 0.000 0.982 241 E CA 0.947 57.187 56.400 -0.267 0.000 0.809 241 E CB -0.124 29.469 29.700 -0.180 0.000 0.756 241 E HN 0.830 nan 8.360 nan 0.000 0.459 242 E N 0.123 120.157 120.200 -0.277 0.000 2.085 242 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 242 E C 1.032 177.326 176.600 -0.511 0.000 0.994 242 E CA 1.120 57.282 56.400 -0.396 0.000 0.801 242 E CB 0.020 29.436 29.700 -0.473 0.000 0.743 242 E HN 0.213 nan 8.360 nan 0.000 0.453 243 F N -0.688 119.143 119.950 -0.199 0.000 2.695 243 F HA 0.338 4.865 4.527 -0.000 0.000 0.303 243 F C 1.174 176.908 175.800 -0.110 0.000 1.091 243 F CA 0.432 58.367 58.000 -0.109 0.000 1.300 243 F CB 1.182 40.160 39.000 -0.036 0.000 1.071 243 F HN 0.129 nan 8.300 nan 0.000 0.578 244 G N 1.672 110.411 108.800 -0.103 0.000 2.314 244 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.292 244 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.292 244 G C -0.146 174.762 174.900 0.014 0.000 1.059 244 G CA 0.329 45.386 45.100 -0.072 0.000 0.982 244 G HN 0.379 nan 8.290 nan 0.000 0.505 245 F N -1.357 118.570 119.950 -0.037 0.000 2.575 245 F HA 0.793 5.320 4.527 -0.000 0.000 0.330 245 F C -0.037 175.751 175.800 -0.020 0.000 1.056 245 F CA -2.535 55.438 58.000 -0.046 0.000 0.964 245 F CB 0.805 39.736 39.000 -0.115 0.000 1.258 245 F HN -0.034 nan 8.300 nan 0.000 0.484 246 N N 1.784 120.649 118.700 0.276 0.000 2.530 246 N HA 0.516 5.256 4.740 -0.000 0.000 0.273 246 N C -0.831 174.837 175.510 0.263 0.000 1.173 246 N CA -0.296 52.862 53.050 0.180 0.000 0.967 246 N CB 1.538 40.099 38.487 0.123 0.000 1.109 246 N HN 0.862 nan 8.380 nan 0.000 0.453 247 L N -1.654 119.666 121.223 0.162 0.000 2.376 247 L HA 0.822 5.162 4.340 -0.000 0.000 0.258 247 L C -1.146 175.785 176.870 0.102 0.000 1.013 247 L CA -0.910 54.035 54.840 0.174 0.000 0.822 247 L CB 1.841 44.004 42.059 0.173 0.000 1.388 247 L HN 0.072 nan 8.230 nan 0.000 0.413 248 V N 2.819 122.795 119.914 0.103 0.000 2.604 248 V HA 0.494 4.613 4.120 -0.000 0.000 0.305 248 V C -0.080 176.047 176.094 0.056 0.000 1.043 248 V CA -0.497 61.841 62.300 0.064 0.000 0.888 248 V CB 2.016 33.877 31.823 0.063 0.000 0.995 248 V HN 0.543 nan 8.190 nan 0.000 0.429 249 I N 3.922 124.499 120.570 0.012 0.000 2.342 249 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 249 I C 0.208 176.279 176.117 -0.075 0.000 1.010 249 I CA -0.404 60.882 61.300 -0.022 0.000 1.308 249 I CB 1.362 39.333 38.000 -0.048 0.000 1.400 249 I HN 0.621 nan 8.210 nan 0.000 0.488 250 E N 6.750 126.872 120.200 -0.130 0.000 2.216 250 E HA 0.291 4.641 4.350 -0.000 0.000 0.279 250 E C 0.553 176.850 176.600 -0.504 0.000 0.997 250 E CA -0.420 55.752 56.400 -0.379 0.000 0.817 250 E CB 1.056 30.472 29.700 -0.473 0.000 1.096 250 E HN 0.532 nan 8.360 nan 0.000 0.393 251 H N 1.943 120.869 119.070 -0.241 0.000 4.884 251 H HA -0.257 4.299 4.556 -0.000 0.000 0.061 251 H C 1.051 176.291 175.328 -0.147 0.000 0.590 251 H CA 1.471 57.388 56.048 -0.218 0.000 0.961 251 H CB -1.437 28.081 29.762 -0.405 0.000 0.443 251 H HN 0.852 nan 8.280 nan 0.000 0.794 252 G N 1.221 109.969 108.800 -0.087 0.000 2.356 252 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.296 252 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.296 252 G C 1.002 175.916 174.900 0.023 0.000 1.022 252 G CA 1.729 46.797 45.100 -0.054 0.000 0.961 252 G HN 0.728 nan 8.290 nan 0.000 0.510 253 T N -0.074 114.532 114.554 0.087 0.000 2.685 253 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 253 T C 1.761 176.528 174.700 0.111 0.000 1.034 253 T CA 1.856 64.048 62.100 0.153 0.000 1.149 253 T CB -0.099 68.915 68.868 0.243 0.000 0.860 253 T HN 0.694 nan 8.240 nan 0.000 0.449 254 E N 0.114 120.300 120.200 -0.023 0.000 2.451 254 E HA 0.400 4.750 4.350 -0.000 0.000 0.194 254 E C 1.953 178.359 176.600 -0.322 0.000 1.027 254 E CA -0.078 56.162 56.400 -0.268 0.000 0.914 254 E CB 0.198 29.753 29.700 -0.242 0.000 1.054 254 E HN 0.411 nan 8.360 nan 0.000 0.461 255 A N 1.133 123.883 122.820 -0.117 0.000 1.978 255 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 255 A C 2.024 179.573 177.584 -0.058 0.000 1.170 255 A CA 1.385 53.377 52.037 -0.074 0.000 0.636 255 A CB -0.834 18.161 19.000 -0.009 0.000 0.810 255 A HN 0.567 nan 8.150 nan 0.000 0.448 256 Y N -0.293 119.999 120.300 -0.015 0.000 2.333 256 Y HA -0.041 4.509 4.550 -0.000 0.000 0.290 256 Y C 1.710 177.603 175.900 -0.012 0.000 1.144 256 Y CA 1.410 59.503 58.100 -0.012 0.000 1.228 256 Y CB -0.486 37.967 38.460 -0.012 0.000 0.985 256 Y HN 0.218 nan 8.280 nan 0.000 0.542 257 K N 1.268 121.369 120.400 -0.499 0.000 2.365 257 K HA 0.106 4.426 4.320 -0.000 0.000 0.199 257 K C 0.900 177.420 176.600 -0.133 0.000 1.045 257 K CA 1.476 57.580 56.287 -0.305 0.000 0.962 257 K CB -0.112 32.142 32.500 -0.410 0.000 0.759 257 K HN 0.680 nan 8.250 nan 0.000 0.469 258 I N -2.602 117.899 120.570 -0.114 0.000 3.426 258 I HA 0.167 4.337 4.170 -0.000 0.000 0.329 258 I C 1.091 177.185 176.117 -0.037 0.000 1.553 258 I CA -0.389 60.870 61.300 -0.068 0.000 1.019 258 I CB 0.850 38.802 38.000 -0.081 0.000 1.376 258 I HN -0.150 nan 8.210 nan 0.000 0.525 259 S N 0.897 116.591 115.700 -0.011 0.000 2.399 259 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 259 S C 1.830 176.432 174.600 0.003 0.000 1.022 259 S CA 0.968 59.174 58.200 0.010 0.000 0.983 259 S CB -0.261 62.965 63.200 0.044 0.000 0.803 259 S HN 0.419 nan 8.310 nan 0.000 0.480 260 K N 1.538 121.939 120.400 0.001 0.000 2.063 260 K HA 0.080 4.400 4.320 -0.000 0.000 0.208 260 K C 2.100 178.693 176.600 -0.010 0.000 1.048 260 K CA 1.267 57.553 56.287 -0.002 0.000 0.928 260 K CB -1.197 31.301 32.500 -0.003 0.000 0.713 260 K HN 0.349 nan 8.250 nan 0.000 0.442 261 V N 1.089 120.991 119.914 -0.019 0.000 2.343 261 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 261 V C 2.175 178.253 176.094 -0.026 0.000 1.051 261 V CA 1.603 63.888 62.300 -0.026 0.000 1.036 261 V CB -0.516 31.285 31.823 -0.036 0.000 0.654 261 V HN 0.209 nan 8.190 nan 0.000 0.451 262 L N 0.187 121.396 121.223 -0.024 0.000 2.046 262 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 262 L C 2.796 179.660 176.870 -0.011 0.000 1.077 262 L CA 1.602 56.429 54.840 -0.021 0.000 0.747 262 L CB -0.935 41.113 42.059 -0.018 0.000 0.896 262 L HN 0.360 nan 8.230 nan 0.000 0.432 263 A N 0.208 123.025 122.820 -0.005 0.000 1.865 263 A HA -0.245 4.074 4.320 -0.000 0.000 0.217 263 A C 2.172 179.754 177.584 -0.004 0.000 1.191 263 A CA 1.885 53.922 52.037 -0.000 0.000 0.623 263 A CB -0.577 18.426 19.000 0.005 0.000 0.826 263 A HN 0.438 nan 8.150 nan 0.000 0.444 264 E N -0.288 119.907 120.200 -0.008 0.000 2.058 264 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 264 E C 1.753 178.344 176.600 -0.014 0.000 0.997 264 E CA 1.556 57.950 56.400 -0.010 0.000 0.801 264 E CB -0.147 29.544 29.700 -0.014 0.000 0.746 264 E HN 0.561 nan 8.360 nan 0.000 0.450 265 K N 0.323 120.712 120.400 -0.018 0.000 2.487 265 K HA 0.009 4.329 4.320 -0.000 0.000 0.192 265 K C -0.089 176.501 176.600 -0.017 0.000 1.027 265 K CA 0.105 56.378 56.287 -0.023 0.000 1.054 265 K CB 0.304 32.784 32.500 -0.034 0.000 0.824 265 K HN -0.117 nan 8.250 nan 0.000 0.510 266 K N 0.596 120.991 120.400 -0.009 0.000 3.071 266 K HA -0.164 4.156 4.320 -0.000 0.000 0.265 266 K C -0.864 175.735 176.600 -0.001 0.000 1.060 266 K CA 0.539 56.825 56.287 -0.002 0.000 0.767 266 K CB -1.849 30.650 32.500 -0.000 0.000 1.241 266 K HN 0.231 nan 8.250 nan 0.000 0.486 267 I N 1.895 122.462 120.570 -0.006 0.000 2.315 267 I HA 0.253 4.422 4.170 -0.000 0.000 0.291 267 I C -1.624 174.494 176.117 0.002 0.000 1.006 267 I CA -2.111 59.187 61.300 -0.004 0.000 1.265 267 I CB 1.018 39.008 38.000 -0.017 0.000 1.387 267 I HN -0.051 nan 8.210 nan 0.000 0.475 268 P HA 0.318 nan 4.420 nan 0.000 0.278 268 P C -1.003 176.300 177.300 0.004 0.000 1.258 268 P CA -0.387 62.720 63.100 0.012 0.000 0.811 268 P CB 1.848 33.560 31.700 0.020 0.000 1.063 269 V N 1.336 121.251 119.914 0.002 0.000 2.525 269 V HA 0.150 4.270 4.120 -0.000 0.000 0.299 269 V C 0.094 176.180 176.094 -0.014 0.000 1.034 269 V CA -0.799 61.493 62.300 -0.013 0.000 0.863 269 V CB 2.109 33.927 31.823 -0.010 0.000 0.999 269 V HN 0.221 nan 8.190 nan 0.000 0.423 270 V N 6.040 125.931 119.914 -0.039 0.000 2.338 270 V HA 0.203 4.323 4.120 -0.000 0.000 0.255 270 V C 0.479 176.532 176.094 -0.068 0.000 1.082 270 V CA -0.277 61.996 62.300 -0.045 0.000 0.951 270 V CB 1.000 32.791 31.823 -0.053 0.000 1.102 270 V HN 0.747 nan 8.190 nan 0.000 0.489 271 V N 2.843 122.746 119.914 -0.019 0.000 3.133 271 V HA 1.017 5.136 4.120 -0.000 0.000 0.305 271 V C 0.614 176.725 176.094 0.027 0.000 1.084 271 V CA 0.345 62.650 62.300 0.007 0.000 1.089 271 V CB 0.739 32.573 31.823 0.019 0.000 1.073 271 V HN 1.491 nan 8.190 nan 0.000 0.477 272 G N 2.411 111.253 108.800 0.070 0.000 2.612 272 G HA2 0.009 3.969 3.960 -0.000 0.000 0.686 272 G HA3 0.009 3.969 3.960 -0.000 0.000 0.686 272 G C -2.962 172.079 174.900 0.234 0.000 1.274 272 G CA -0.403 44.757 45.100 0.099 0.000 0.849 272 G HN 1.026 nan 8.290 nan 0.000 0.595 273 P HA 0.387 nan 4.420 nan 0.000 0.271 273 P C 0.659 177.989 177.300 0.051 0.000 1.218 273 P CA -0.194 62.972 63.100 0.110 0.000 0.780 273 P CB 1.103 32.869 31.700 0.110 0.000 0.901 274 L N 1.536 122.765 121.223 0.010 0.000 2.624 274 L HA 0.207 4.547 4.340 -0.000 0.000 0.222 274 L C 1.474 178.302 176.870 -0.070 0.000 1.046 274 L CA 0.038 54.850 54.840 -0.046 0.000 0.872 274 L CB -0.045 41.968 42.059 -0.077 0.000 1.190 274 L HN 0.230 nan 8.230 nan 0.000 0.487 275 L N 1.177 122.374 121.223 -0.042 0.000 2.416 275 L HA 0.265 4.605 4.340 -0.000 0.000 0.243 275 L C -0.136 176.734 176.870 -0.001 0.000 1.373 275 L CA 0.843 55.663 54.840 -0.033 0.000 1.227 275 L CB -0.385 41.660 42.059 -0.024 0.000 1.428 275 L HN -0.001 nan 8.230 nan 0.000 0.425 276 T N 0.928 115.484 114.554 0.004 0.000 2.830 276 T HA 0.254 4.603 4.350 -0.000 0.000 0.322 276 T C -1.110 173.637 174.700 0.079 0.000 1.501 276 T CA -0.570 61.559 62.100 0.048 0.000 1.036 276 T CB 0.514 69.407 68.868 0.042 0.000 1.379 276 T HN 0.030 nan 8.240 nan 0.000 0.493 277 F N 2.955 122.878 119.950 -0.044 0.000 2.471 277 F HA 0.515 5.042 4.527 -0.000 0.000 0.353 277 F C 0.934 176.700 175.800 -0.057 0.000 1.113 277 F CA -0.483 57.489 58.000 -0.047 0.000 1.262 277 F CB 0.633 39.609 39.000 -0.040 0.000 1.146 277 F HN 0.480 nan 8.300 nan 0.000 0.578 278 R N 3.823 123.869 120.500 -0.758 0.000 2.878 278 R HA 0.085 4.424 4.340 -0.000 0.000 0.239 278 R C 1.213 177.115 176.300 -0.663 0.000 1.515 278 R CA 0.563 56.307 56.100 -0.593 0.000 1.210 278 R CB -0.376 29.626 30.300 -0.497 0.000 1.209 278 R HN 0.820 nan 8.270 nan 0.000 0.610 279 T N -1.394 113.006 114.554 -0.258 0.000 3.035 279 T HA -0.009 4.340 4.350 -0.000 0.000 0.268 279 T C 0.641 175.307 174.700 -0.058 0.000 1.109 279 T CA 0.696 62.793 62.100 -0.005 0.000 1.119 279 T CB 0.254 69.177 68.868 0.093 0.000 0.900 279 T HN 0.255 nan 8.240 nan 0.000 0.503 280 K N -0.345 119.975 120.400 -0.134 0.000 2.443 280 K HA 0.527 4.847 4.320 -0.000 0.000 0.251 280 K C 0.161 176.691 176.600 -0.117 0.000 0.972 280 K CA -0.910 55.315 56.287 -0.102 0.000 0.833 280 K CB 2.196 34.634 32.500 -0.104 0.000 1.317 280 K HN -0.152 nan 8.250 nan 0.000 0.441 281 L N 2.541 123.720 121.223 -0.072 0.000 2.043 281 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 281 L C 2.030 178.860 176.870 -0.065 0.000 1.075 281 L CA 2.089 56.894 54.840 -0.059 0.000 0.752 281 L CB -0.432 41.611 42.059 -0.027 0.000 0.891 281 L HN 0.830 nan 8.230 nan 0.000 0.432 282 E N -1.119 119.042 120.200 -0.065 0.000 2.409 282 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 282 E C 1.673 178.204 176.600 -0.115 0.000 1.024 282 E CA 0.935 57.303 56.400 -0.052 0.000 0.861 282 E CB -0.399 29.304 29.700 0.006 0.000 0.788 282 E HN 0.595 nan 8.360 nan 0.000 0.521 283 L N 1.307 122.419 121.223 -0.185 0.000 2.607 283 L HA 0.133 4.473 4.340 -0.000 0.000 0.228 283 L C 2.305 179.086 176.870 -0.149 0.000 1.123 283 L CA 0.152 54.867 54.840 -0.208 0.000 0.890 283 L CB -0.173 41.714 42.059 -0.287 0.000 1.103 283 L HN 0.155 nan 8.230 nan 0.000 0.468 284 K N -0.475 119.855 120.400 -0.116 0.000 2.152 284 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 284 K C 0.480 177.043 176.600 -0.061 0.000 1.048 284 K CA 1.648 57.875 56.287 -0.101 0.000 0.933 284 K CB -0.043 32.414 32.500 -0.072 0.000 0.721 284 K HN 0.126 nan 8.250 nan 0.000 0.447 285 D N 1.025 121.417 120.400 -0.014 0.000 2.388 285 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 285 D C -0.046 176.313 176.300 0.100 0.000 1.133 285 D CA -0.227 53.809 54.000 0.060 0.000 0.831 285 D CB 0.094 40.968 40.800 0.123 0.000 0.962 285 D HN 0.236 nan 8.370 nan 0.000 0.502 286 L N 0.813 122.044 121.223 0.013 0.000 2.540 286 L HA 0.132 4.471 4.340 -0.000 0.000 0.276 286 L C 0.297 177.126 176.870 -0.068 0.000 1.212 286 L CA 0.776 55.614 54.840 -0.004 0.000 0.893 286 L CB 0.638 42.658 42.059 -0.065 0.000 1.138 286 L HN -0.076 nan 8.230 nan 0.000 0.491 290 T N 1.278 115.728 114.554 -0.173 0.000 2.803 290 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 290 T C 1.862 176.549 174.700 -0.021 0.000 1.052 290 T CA 1.312 63.357 62.100 -0.092 0.000 1.136 290 T CB -0.163 68.704 68.868 -0.001 0.000 0.864 290 T HN 0.129 nan 8.240 nan 0.000 0.467 291 I N 1.069 121.622 120.570 -0.028 0.000 2.099 291 I HA -0.222 3.947 4.170 -0.000 0.000 0.239 291 I C 2.904 179.025 176.117 0.007 0.000 1.066 291 I CA 1.471 62.768 61.300 -0.004 0.000 1.324 291 I CB -0.625 37.369 38.000 -0.009 0.000 1.037 291 I HN 0.255 nan 8.210 nan 0.000 0.401 292 A N 0.744 123.565 122.820 0.002 0.000 1.892 292 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 292 A C 2.308 179.897 177.584 0.009 0.000 1.188 292 A CA 2.116 54.158 52.037 0.009 0.000 0.631 292 A CB -0.614 18.390 19.000 0.006 0.000 0.822 292 A HN 0.377 nan 8.150 nan 0.000 0.447 293 K N -0.537 119.861 120.400 -0.003 0.000 2.026 293 K HA -0.025 4.295 4.320 -0.000 0.000 0.208 293 K C 1.928 178.552 176.600 0.039 0.000 1.048 293 K CA 1.439 57.734 56.287 0.014 0.000 0.929 293 K CB -0.371 32.131 32.500 0.003 0.000 0.713 293 K HN 0.478 nan 8.250 nan 0.000 0.439 294 L N 0.854 122.103 121.223 0.044 0.000 2.072 294 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 294 L C 2.364 179.255 176.870 0.034 0.000 1.079 294 L CA 0.911 55.779 54.840 0.046 0.000 0.752 294 L CB -0.505 41.583 42.059 0.048 0.000 0.906 294 L HN 0.168 nan 8.230 nan 0.000 0.436 295 L N 0.155 121.397 121.223 0.031 0.000 2.013 295 L HA -0.307 4.033 4.340 -0.000 0.000 0.212 295 L C 2.754 179.641 176.870 0.028 0.000 1.073 295 L CA 1.674 56.533 54.840 0.031 0.000 0.753 295 L CB -0.583 41.496 42.059 0.033 0.000 0.890 295 L HN 0.286 nan 8.230 nan 0.000 0.432 296 K N -0.103 120.312 120.400 0.026 0.000 2.063 296 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 296 K C 1.243 177.857 176.600 0.023 0.000 1.048 296 K CA 1.771 58.072 56.287 0.024 0.000 0.928 296 K CB 0.015 32.528 32.500 0.021 0.000 0.713 296 K HN 0.291 nan 8.250 nan 0.000 0.442 297 D N -0.761 119.655 120.400 0.026 0.000 2.349 297 D HA 0.058 4.698 4.640 -0.000 0.000 0.224 297 D C 0.648 176.960 176.300 0.020 0.000 1.029 297 D CA 0.932 54.947 54.000 0.024 0.000 0.879 297 D CB 0.589 41.407 40.800 0.030 0.000 0.906 297 D HN 0.521 nan 8.370 nan 0.000 0.528 298 G N 0.553 109.366 108.800 0.022 0.000 2.149 298 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.235 298 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.235 298 G C 0.264 175.175 174.900 0.018 0.000 1.018 298 G CA 0.044 45.156 45.100 0.019 0.000 0.728 298 G HN 0.259 nan 8.290 nan 0.000 0.508 299 V N 0.906 120.833 119.914 0.021 0.000 2.546 299 V HA 0.549 4.669 4.120 -0.000 0.000 0.284 299 V C 0.900 177.008 176.094 0.022 0.000 1.050 299 V CA -0.705 61.606 62.300 0.019 0.000 0.981 299 V CB 1.646 33.481 31.823 0.020 0.000 0.990 299 V HN 0.489 nan 8.190 nan 0.000 0.474 300 L N 7.770 129.006 121.223 0.021 0.000 2.369 300 L HA 0.486 4.826 4.340 -0.000 0.000 0.279 300 L C -0.237 176.648 176.870 0.024 0.000 1.108 300 L CA 0.668 55.523 54.840 0.025 0.000 0.852 300 L CB -0.087 41.986 42.059 0.024 0.000 1.169 300 L HN 0.665 nan 8.230 nan 0.000 0.452 301 I N 2.665 123.252 120.570 0.029 0.000 2.828 301 I HA 0.985 5.155 4.170 -0.000 0.000 0.302 301 I C -0.775 175.361 176.117 0.033 0.000 1.101 301 I CA -0.816 60.499 61.300 0.026 0.000 1.031 301 I CB 2.106 40.121 38.000 0.025 0.000 1.231 301 I HN 0.674 nan 8.210 nan 0.000 0.427 302 A N 4.308 127.145 122.820 0.028 0.000 2.430 302 A HA 0.855 5.175 4.320 -0.000 0.000 0.300 302 A C -1.215 176.385 177.584 0.025 0.000 1.124 302 A CA -0.639 51.419 52.037 0.035 0.000 0.766 302 A CB 1.808 20.832 19.000 0.040 0.000 1.328 302 A HN 0.786 nan 8.150 nan 0.000 0.424 306 D N 1.675 122.209 120.400 0.222 0.000 2.701 306 D HA -0.238 4.402 4.640 -0.000 0.000 0.235 306 D C 0.039 176.524 176.300 0.309 0.000 1.155 306 D CA 1.305 55.487 54.000 0.304 0.000 0.649 306 D CB -1.636 39.379 40.800 0.359 0.000 1.050 306 D HN 0.863 nan 8.370 nan 0.000 0.425 307 H N -0.523 118.645 119.070 0.163 0.000 3.140 307 H HA 0.080 4.636 4.556 -0.000 0.000 0.316 307 H C -1.344 174.105 175.328 0.201 0.000 0.986 307 H CA 0.001 56.129 56.048 0.134 0.000 1.397 307 H CB 1.023 30.847 29.762 0.103 0.000 1.377 307 H HN 0.055 nan 8.280 nan 0.000 0.585 308 P HA -0.052 nan 4.420 nan 0.000 0.255 308 P C 1.036 178.157 177.300 -0.298 0.000 1.248 308 P CA 0.161 62.854 63.100 -0.678 0.000 0.807 308 P CB 0.370 31.567 31.700 -0.838 0.000 1.150 309 V N 0.453 120.331 119.914 -0.060 0.000 2.287 309 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 309 V C 1.554 177.655 176.094 0.013 0.000 1.053 309 V CA 1.683 63.988 62.300 0.008 0.000 1.027 309 V CB -0.579 31.299 31.823 0.093 0.000 0.646 309 V HN 0.074 nan 8.190 nan 0.000 0.447 310 I N 0.206 120.807 120.570 0.050 0.000 2.436 310 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 310 I C -2.708 173.488 176.117 0.131 0.000 1.010 310 I CA -2.237 59.124 61.300 0.102 0.000 1.098 310 I CB 2.095 40.174 38.000 0.131 0.000 1.266 310 I HN -0.003 nan 8.210 nan 0.000 0.434 311 P HA 0.020 nan 4.420 nan 0.000 0.268 311 P C 0.548 178.005 177.300 0.262 0.000 1.204 311 P CA -0.305 62.916 63.100 0.202 0.000 0.768 311 P CB 0.772 32.511 31.700 0.064 0.000 0.842 312 L N 4.452 125.918 121.223 0.405 0.000 2.079 312 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 312 L C 2.071 178.947 176.870 0.011 0.000 1.081 312 L CA 1.792 56.712 54.840 0.133 0.000 0.752 312 L CB -1.261 40.766 42.059 -0.053 0.000 0.896 312 L HN 0.491 nan 8.230 nan 0.000 0.433 313 E N -1.761 118.335 120.200 -0.173 0.000 2.273 313 E HA -0.279 4.071 4.350 -0.000 0.000 0.198 313 E C 1.038 177.489 176.600 -0.249 0.000 1.002 313 E CA 1.446 57.645 56.400 -0.334 0.000 0.828 313 E CB -0.548 28.773 29.700 -0.632 0.000 0.747 313 E HN 0.478 nan 8.360 nan 0.000 0.491 314 F N 0.312 120.314 119.950 0.087 0.000 2.647 314 F HA 0.498 5.025 4.527 -0.000 0.000 0.300 314 F C 1.957 177.783 175.800 0.043 0.000 1.106 314 F CA -0.541 57.499 58.000 0.067 0.000 1.313 314 F CB 0.135 39.163 39.000 0.047 0.000 1.007 314 F HN 0.062 nan 8.300 nan 0.000 0.536 315 A N 0.407 123.333 122.820 0.176 0.000 1.927 315 A HA -0.283 4.036 4.320 -0.000 0.000 0.220 315 A C 2.422 179.993 177.584 -0.022 0.000 1.185 315 A CA 2.731 54.807 52.037 0.065 0.000 0.639 315 A CB -1.256 17.763 19.000 0.031 0.000 0.820 315 A HN 0.418 nan 8.150 nan 0.000 0.451 316 T N -2.879 111.692 114.554 0.027 0.000 2.951 316 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 316 T C 1.633 176.317 174.700 -0.027 0.000 1.073 316 T CA 1.319 63.423 62.100 0.005 0.000 1.134 316 T CB -0.582 68.356 68.868 0.118 0.000 0.884 316 T HN 0.101 nan 8.240 nan 0.000 0.479 317 V N 1.651 121.595 119.914 0.051 0.000 2.307 317 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 317 V C 2.945 178.991 176.094 -0.080 0.000 1.045 317 V CA 2.010 64.307 62.300 -0.005 0.000 1.024 317 V CB -0.919 30.915 31.823 0.018 0.000 0.651 317 V HN 0.531 nan 8.190 nan 0.000 0.449 318 Q N 0.107 119.879 119.800 -0.048 0.000 2.050 318 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 318 Q C 2.269 178.172 176.000 -0.161 0.000 0.980 318 Q CA 2.088 57.848 55.803 -0.073 0.000 0.840 318 Q CB -0.308 28.416 28.738 -0.023 0.000 0.898 318 Q HN 0.606 nan 8.270 nan 0.000 0.424 319 A N 1.012 123.685 122.820 -0.245 0.000 1.851 319 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 319 A C 2.368 179.562 177.584 -0.650 0.000 1.195 319 A CA 2.007 53.797 52.037 -0.412 0.000 0.622 319 A CB -1.343 17.384 19.000 -0.455 0.000 0.831 319 A HN 0.594 nan 8.150 nan 0.000 0.444 320 A N -1.067 121.229 122.820 -0.875 0.000 1.903 320 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 320 A C 2.283 179.662 177.584 -0.342 0.000 1.191 320 A CA 2.591 54.174 52.037 -0.757 0.000 0.638 320 A CB -1.545 17.191 19.000 -0.441 0.000 0.823 320 A HN 0.467 nan 8.150 nan 0.000 0.451 321 T N 0.298 114.728 114.554 -0.207 0.000 2.849 321 T HA 0.164 4.514 4.350 -0.000 0.000 0.270 321 T C 1.253 175.979 174.700 0.044 0.000 1.066 321 T CA 0.798 62.862 62.100 -0.059 0.000 1.130 321 T CB -0.598 68.264 68.868 -0.010 0.000 0.864 321 T HN 0.717 nan 8.240 nan 0.000 0.481 325 Y N 0.259 120.518 120.300 -0.068 0.000 2.698 325 Y HA 0.371 4.921 4.550 -0.000 0.000 0.261 325 Y C 1.238 177.102 175.900 -0.061 0.000 1.104 325 Y CA 0.235 58.295 58.100 -0.067 0.000 1.145 325 Y CB 1.642 40.056 38.460 -0.077 0.000 1.191 325 Y HN 0.273 nan 8.280 nan 0.000 0.564 326 G N 0.192 109.001 108.800 0.015 0.000 2.176 326 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.253 326 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.253 326 G C 0.295 175.205 174.900 0.017 0.000 0.979 326 G CA -0.078 45.027 45.100 0.008 0.000 0.641 326 G HN 0.685 nan 8.290 nan 0.000 0.530 327 A N -0.112 122.722 122.820 0.024 0.000 2.327 327 A HA 0.760 5.080 4.320 -0.000 0.000 0.283 327 A C 0.311 177.911 177.584 0.026 0.000 1.127 327 A CA 0.038 52.089 52.037 0.024 0.000 0.810 327 A CB 0.626 19.635 19.000 0.016 0.000 1.066 327 A HN 0.405 nan 8.150 nan 0.000 0.492 328 K N 1.021 121.451 120.400 0.051 0.000 2.123 328 K HA 0.251 4.571 4.320 -0.000 0.000 0.259 328 K C 0.902 177.584 176.600 0.136 0.000 0.960 328 K CA -0.541 55.792 56.287 0.076 0.000 0.872 328 K CB 1.916 34.458 32.500 0.071 0.000 1.079 328 K HN 0.861 nan 8.250 nan 0.000 0.440 329 E N 2.468 122.779 120.200 0.184 0.000 2.065 329 E HA -0.361 3.989 4.350 -0.000 0.000 0.201 329 E C 1.426 178.222 176.600 0.327 0.000 1.016 329 E CA 1.862 58.463 56.400 0.335 0.000 0.818 329 E CB 0.197 30.069 29.700 0.285 0.000 0.749 329 E HN 0.699 nan 8.360 nan 0.000 0.453 330 E N -0.004 120.336 120.200 0.234 0.000 2.070 330 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 330 E C 1.777 178.491 176.600 0.190 0.000 1.004 330 E CA 1.758 58.283 56.400 0.209 0.000 0.805 330 E CB -0.004 29.787 29.700 0.152 0.000 0.744 330 E HN 0.322 nan 8.360 nan 0.000 0.451 331 D N 0.315 120.811 120.400 0.159 0.000 2.097 331 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 331 D C 2.176 178.566 176.300 0.150 0.000 0.984 331 D CA 0.802 54.880 54.000 0.130 0.000 0.826 331 D CB -0.238 40.619 40.800 0.094 0.000 0.973 331 D HN 0.260 nan 8.370 nan 0.000 0.460 332 L N 0.392 121.727 121.223 0.186 0.000 2.131 332 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 332 L C 2.537 179.588 176.870 0.302 0.000 1.092 332 L CA 0.519 55.476 54.840 0.195 0.000 0.759 332 L CB -0.281 41.865 42.059 0.145 0.000 0.903 332 L HN 0.025 nan 8.230 nan 0.000 0.435 333 L N -0.519 120.917 121.223 0.356 0.000 2.056 333 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 333 L C 2.630 179.651 176.870 0.252 0.000 1.078 333 L CA 1.340 56.363 54.840 0.306 0.000 0.749 333 L CB -0.441 41.783 42.059 0.275 0.000 0.901 333 L HN 0.185 nan 8.230 nan 0.000 0.433 334 K N 0.550 121.070 120.400 0.201 0.000 2.057 334 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 334 K C 1.953 178.635 176.600 0.135 0.000 1.049 334 K CA 1.708 58.090 56.287 0.157 0.000 0.931 334 K CB -0.338 32.236 32.500 0.123 0.000 0.714 334 K HN 0.442 nan 8.250 nan 0.000 0.440 335 I N -1.464 119.177 120.570 0.119 0.000 3.176 335 I HA -0.093 4.077 4.170 -0.000 0.000 0.275 335 I C 1.297 177.464 176.117 0.083 0.000 1.298 335 I CA 1.027 62.379 61.300 0.086 0.000 1.445 335 I CB -0.127 37.910 38.000 0.061 0.000 1.075 335 I HN 0.011 nan 8.210 nan 0.000 0.482 336 L N 0.772 122.062 121.223 0.112 0.000 2.616 336 L HA 0.165 4.505 4.340 -0.000 0.000 0.229 336 L C 1.754 178.777 176.870 0.254 0.000 1.110 336 L CA 0.720 55.626 54.840 0.109 0.000 0.884 336 L CB -0.044 41.969 42.059 -0.078 0.000 1.115 336 L HN 0.512 nan 8.230 nan 0.000 0.481 337 T N -5.638 109.055 114.554 0.232 0.000 3.212 337 T HA 0.013 4.363 4.350 -0.000 0.000 0.157 337 T C 1.248 176.032 174.700 0.139 0.000 0.908 337 T CA 0.528 62.765 62.100 0.227 0.000 0.954 337 T CB -0.205 68.824 68.868 0.269 0.000 1.709 337 T HN -0.221 nan 8.240 nan 0.000 0.335 338 V N 2.793 122.780 119.914 0.122 0.000 2.358 338 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 338 V C 2.217 178.354 176.094 0.072 0.000 1.047 338 V CA 2.548 64.899 62.300 0.086 0.000 1.035 338 V CB -1.291 30.579 31.823 0.078 0.000 0.658 338 V HN 0.525 nan 8.190 nan 0.000 0.452 339 N N 0.879 119.625 118.700 0.077 0.000 2.025 339 N HA -0.087 4.653 4.740 -0.000 0.000 0.194 339 N C -0.588 174.955 175.510 0.056 0.000 1.044 339 N CA 2.277 55.365 53.050 0.062 0.000 0.851 339 N CB -1.895 36.630 38.487 0.063 0.000 1.036 339 N HN 0.445 nan 8.380 nan 0.000 0.422 340 P HA -0.124 nan 4.420 nan 0.000 0.215 340 P C 1.033 178.360 177.300 0.044 0.000 1.157 340 P CA 1.798 64.930 63.100 0.054 0.000 0.868 340 P CB -0.135 31.603 31.700 0.065 0.000 0.788 341 A N 0.533 123.382 122.820 0.049 0.000 1.903 341 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 341 A C 2.390 179.992 177.584 0.030 0.000 1.191 341 A CA 2.941 55.000 52.037 0.035 0.000 0.638 341 A CB -1.330 17.695 19.000 0.041 0.000 0.823 341 A HN 0.199 nan 8.150 nan 0.000 0.451 342 K N -0.109 120.313 120.400 0.035 0.000 2.057 342 K HA 0.027 4.347 4.320 -0.000 0.000 0.206 342 K C 1.644 178.261 176.600 0.029 0.000 1.050 342 K CA 1.546 57.852 56.287 0.031 0.000 0.935 342 K CB -0.486 32.034 32.500 0.034 0.000 0.715 342 K HN 0.461 nan 8.250 nan 0.000 0.439 343 I N 0.848 121.437 120.570 0.032 0.000 2.335 343 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 343 I C 1.622 177.757 176.117 0.028 0.000 1.129 343 I CA 1.090 62.408 61.300 0.031 0.000 1.402 343 I CB -0.142 37.877 38.000 0.033 0.000 1.069 343 I HN 0.156 nan 8.210 nan 0.000 0.424 344 L N 0.327 121.564 121.223 0.023 0.000 2.599 344 L HA 0.172 4.512 4.340 -0.000 0.000 0.230 344 L C 1.478 178.356 176.870 0.012 0.000 1.141 344 L CA 0.443 55.291 54.840 0.014 0.000 0.877 344 L CB -0.498 41.562 42.059 0.003 0.000 1.009 344 L HN 0.470 nan 8.230 nan 0.000 0.447 345 G N 0.773 109.583 108.800 0.017 0.000 2.176 345 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.252 345 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.252 345 G C 0.380 175.287 174.900 0.012 0.000 1.024 345 G CA 0.252 45.361 45.100 0.016 0.000 0.755 345 G HN 0.378 nan 8.290 nan 0.000 0.507 346 L N 0.161 121.391 121.223 0.011 0.000 3.333 346 L HA 0.228 4.567 4.340 -0.000 0.000 0.299 346 L C 2.069 178.947 176.870 0.013 0.000 1.256 346 L CA 0.374 55.218 54.840 0.007 0.000 1.037 346 L CB 0.330 42.387 42.059 -0.002 0.000 1.423 346 L HN 0.361 nan 8.230 nan 0.000 0.605 347 E N 0.805 121.016 120.200 0.019 0.000 2.472 347 E HA -0.223 4.127 4.350 -0.000 0.000 0.200 347 E C 0.701 177.313 176.600 0.021 0.000 1.046 347 E CA 1.293 57.707 56.400 0.024 0.000 0.871 347 E CB -0.010 29.707 29.700 0.028 0.000 0.806 347 E HN 0.611 nan 8.360 nan 0.000 0.533 348 D N 0.722 121.132 120.400 0.016 0.000 2.347 348 D HA -0.097 4.543 4.640 -0.000 0.000 0.215 348 D C 1.670 177.978 176.300 0.013 0.000 0.976 348 D CA 0.276 54.284 54.000 0.014 0.000 0.884 348 D CB -0.133 40.674 40.800 0.012 0.000 0.915 348 D HN 0.222 nan 8.370 nan 0.000 0.526 349 R N -0.250 120.257 120.500 0.012 0.000 2.243 349 R HA 0.345 4.685 4.340 -0.000 0.000 0.193 349 R C 0.989 177.296 176.300 0.011 0.000 0.933 349 R CA 0.253 56.359 56.100 0.010 0.000 1.105 349 R CB 0.900 31.202 30.300 0.003 0.000 1.169 349 R HN 0.235 nan 8.270 nan 0.000 0.599 350 I N -4.851 115.727 120.570 0.013 0.000 3.264 350 I HA 0.675 4.845 4.170 -0.000 0.000 0.315 350 I C 0.320 176.456 176.117 0.032 0.000 1.154 350 I CA -0.688 60.621 61.300 0.016 0.000 0.962 350 I CB 2.281 40.282 38.000 0.003 0.000 1.265 350 I HN 0.253 nan 8.210 nan 0.000 0.463 351 G N 1.912 110.738 108.800 0.043 0.000 2.157 351 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.248 351 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.248 351 G C -0.001 174.944 174.900 0.076 0.000 0.979 351 G CA 0.264 45.407 45.100 0.072 0.000 0.650 351 G HN 1.649 nan 8.290 nan 0.000 0.529 352 S N -1.315 114.416 115.700 0.053 0.000 2.565 352 S HA 0.700 5.170 4.470 -0.000 0.000 0.269 352 S C -0.584 174.033 174.600 0.029 0.000 1.153 352 S CA -0.856 57.372 58.200 0.047 0.000 0.835 352 S CB 1.510 64.738 63.200 0.047 0.000 1.122 352 S HN 0.742 nan 8.310 nan 0.000 0.462 353 I N 1.609 122.192 120.570 0.022 0.000 2.257 353 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 353 I C -0.120 176.018 176.117 0.034 0.000 1.137 353 I CA -0.012 61.298 61.300 0.017 0.000 1.255 353 I CB -0.113 37.883 38.000 -0.007 0.000 1.485 353 I HN 0.612 nan 8.210 nan 0.000 0.534 354 E N 5.791 126.009 120.200 0.030 0.000 2.288 354 E HA 0.425 4.775 4.350 -0.000 0.000 0.268 354 E C -2.552 174.063 176.600 0.024 0.000 0.885 354 E CA -2.203 54.213 56.400 0.027 0.000 0.767 354 E CB 2.055 31.768 29.700 0.022 0.000 1.220 354 E HN 0.146 nan 8.360 nan 0.000 0.427 355 P HA -0.054 nan 4.420 nan 0.000 0.264 355 P C 0.612 177.921 177.300 0.015 0.000 1.183 355 P CA 1.211 64.321 63.100 0.017 0.000 0.763 355 P CB 0.419 32.125 31.700 0.010 0.000 0.807 356 G N 1.285 110.095 108.800 0.016 0.000 2.258 356 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.233 356 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.233 356 G C 0.136 175.046 174.900 0.016 0.000 1.006 356 G CA -0.173 44.935 45.100 0.014 0.000 0.620 356 G HN 0.471 nan 8.290 nan 0.000 0.511 357 K N 1.863 122.274 120.400 0.019 0.000 2.168 357 K HA 0.486 4.805 4.320 -0.000 0.000 0.258 357 K C 0.162 176.775 176.600 0.021 0.000 1.010 357 K CA -0.891 55.407 56.287 0.019 0.000 0.929 357 K CB 0.186 32.699 32.500 0.021 0.000 0.998 357 K HN 0.233 nan 8.250 nan 0.000 0.479 358 D N 0.667 121.078 120.400 0.020 0.000 2.488 358 D HA 0.024 4.664 4.640 -0.000 0.000 0.238 358 D C -0.090 176.229 176.300 0.030 0.000 1.138 358 D CA 0.294 54.309 54.000 0.024 0.000 0.873 358 D CB 0.368 41.178 40.800 0.018 0.000 1.183 358 D HN 0.453 nan 8.370 nan 0.000 0.458 359 A N 2.797 125.643 122.820 0.044 0.000 3.063 359 A HA 0.121 4.441 4.320 -0.000 0.000 0.263 359 A C -0.494 177.133 177.584 0.071 0.000 1.736 359 A CA -0.495 51.573 52.037 0.052 0.000 1.408 359 A CB -0.286 18.755 19.000 0.068 0.000 1.108 359 A HN 0.239 nan 8.150 nan 0.000 0.621 360 D N 1.496 121.924 120.400 0.046 0.000 2.443 360 D HA 0.520 5.159 4.640 -0.000 0.000 0.221 360 D C -0.428 175.888 176.300 0.026 0.000 1.097 360 D CA 0.448 54.478 54.000 0.050 0.000 0.865 360 D CB 1.004 41.817 40.800 0.022 0.000 1.034 360 D HN 0.371 nan 8.370 nan 0.000 0.511 361 L N 1.252 122.506 121.223 0.051 0.000 2.401 361 L HA 0.598 4.938 4.340 -0.000 0.000 0.266 361 L C -0.663 176.227 176.870 0.034 0.000 0.991 361 L CA -1.149 53.683 54.840 -0.013 0.000 0.818 361 L CB 2.513 44.469 42.059 -0.171 0.000 1.321 361 L HN -0.067 nan 8.230 nan 0.000 0.413 362 V N 2.814 122.732 119.914 0.007 0.000 2.487 362 V HA 0.371 4.491 4.120 -0.000 0.000 0.298 362 V C -0.190 175.931 176.094 0.044 0.000 1.028 362 V CA -0.733 61.553 62.300 -0.023 0.000 0.860 362 V CB 2.247 34.001 31.823 -0.115 0.000 0.991 362 V HN 0.411 nan 8.190 nan 0.000 0.427 363 V N 4.259 124.170 119.914 -0.004 0.000 2.368 363 V HA 0.322 4.441 4.120 -0.000 0.000 0.266 363 V C -0.563 175.531 176.094 0.001 0.000 1.045 363 V CA -0.362 61.983 62.300 0.076 0.000 0.899 363 V CB 0.516 32.406 31.823 0.112 0.000 1.006 363 V HN 0.851 nan 8.190 nan 0.000 0.470 364 W N 2.523 123.875 121.300 0.087 0.000 2.512 364 W HA 0.414 5.074 4.660 -0.000 0.000 0.335 364 W C 1.608 178.180 176.519 0.089 0.000 1.088 364 W CA -0.300 57.056 57.345 0.019 0.000 1.236 364 W CB 1.778 31.157 29.460 -0.135 0.000 1.307 364 W HN 0.633 nan 8.180 nan 0.000 0.567 365 S N 0.910 116.779 115.700 0.283 0.000 2.453 365 S HA 0.306 4.776 4.470 -0.000 0.000 0.231 365 S C 0.683 175.386 174.600 0.171 0.000 1.005 365 S CA 0.756 59.083 58.200 0.213 0.000 0.949 365 S CB -0.167 63.120 63.200 0.145 0.000 0.774 365 S HN 0.644 nan 8.310 nan 0.000 0.510 366 G N -0.481 108.303 108.800 -0.027 0.000 2.619 366 G HA2 0.364 4.324 3.960 -0.000 0.000 0.305 366 G HA3 0.364 4.324 3.960 -0.000 0.000 0.305 366 G C -1.652 172.660 174.900 -0.981 0.000 1.330 366 G CA -0.825 43.934 45.100 -0.568 0.000 0.789 366 G HN 0.252 nan 8.290 nan 0.000 0.487 367 H N 0.804 119.165 119.070 -1.181 0.000 2.928 367 H HA 0.156 4.712 4.556 -0.000 0.000 0.338 367 H C -1.498 173.298 175.328 -0.887 0.000 1.047 367 H CA -0.749 54.703 56.048 -0.994 0.000 1.435 367 H CB 1.934 31.343 29.762 -0.588 0.000 1.428 367 H HN -0.009 nan 8.280 nan 0.000 0.590 368 P HA -0.114 nan 4.420 nan 0.000 0.222 368 P C 0.668 177.728 177.300 -0.401 0.000 1.147 368 P CA 0.978 63.170 63.100 -1.513 0.000 0.790 368 P CB 0.075 30.509 31.700 -2.109 0.000 0.780 369 F N -1.392 118.468 119.950 -0.150 0.000 2.765 369 F HA 0.186 4.713 4.527 -0.000 0.000 0.302 369 F C 1.187 176.909 175.800 -0.130 0.000 1.111 369 F CA -0.734 57.193 58.000 -0.121 0.000 1.359 369 F CB -0.937 37.999 39.000 -0.106 0.000 1.097 369 F HN -0.028 nan 8.300 nan 0.000 0.577 373 S N 1.817 117.572 115.700 0.092 0.000 2.580 373 S HA 0.386 4.856 4.470 -0.000 0.000 0.274 373 S C 0.046 174.815 174.600 0.281 0.000 1.329 373 S CA -0.607 57.687 58.200 0.156 0.000 1.036 373 S CB 1.562 64.818 63.200 0.093 0.000 0.919 373 S HN 0.203 nan 8.310 nan 0.000 0.515 374 V N -0.334 119.728 119.914 0.248 0.000 2.962 374 V HA 0.686 4.806 4.120 -0.000 0.000 0.313 374 V C -0.461 175.564 176.094 -0.115 0.000 1.099 374 V CA -1.042 61.321 62.300 0.105 0.000 0.971 374 V CB 1.579 33.442 31.823 0.066 0.000 1.028 374 V HN 0.520 nan 8.190 nan 0.000 0.430 375 V N 3.387 123.031 119.914 -0.451 0.000 2.470 375 V HA 0.249 4.369 4.120 -0.000 0.000 0.276 375 V C 1.159 177.170 176.094 -0.138 0.000 1.040 375 V CA 0.383 62.300 62.300 -0.639 0.000 1.008 375 V CB 0.385 31.706 31.823 -0.836 0.000 0.990 375 V HN 1.096 nan 8.190 nan 0.000 0.477 376 E N 4.241 124.387 120.200 -0.090 0.000 2.166 376 E HA 0.183 4.533 4.350 -0.000 0.000 0.192 376 E C 0.449 177.084 176.600 0.058 0.000 0.967 376 E CA 0.431 56.846 56.400 0.026 0.000 0.840 376 E CB 0.509 30.236 29.700 0.045 0.000 0.795 376 E HN 0.564 nan 8.360 nan 0.000 0.470 377 R N -0.028 120.506 120.500 0.055 0.000 2.663 377 R HA 0.475 4.815 4.340 -0.000 0.000 0.267 377 R C -1.633 174.684 176.300 0.028 0.000 1.038 377 R CA -0.528 55.605 56.100 0.055 0.000 0.886 377 R CB 2.586 32.910 30.300 0.042 0.000 1.249 377 R HN -0.166 nan 8.270 nan 0.000 0.463 378 V N 2.304 122.205 119.914 -0.022 0.000 2.686 378 V HA 0.479 4.598 4.120 -0.000 0.000 0.306 378 V C -1.447 174.565 176.094 -0.137 0.000 1.065 378 V CA -0.892 61.394 62.300 -0.023 0.000 0.894 378 V CB 1.778 33.591 31.823 -0.017 0.000 1.004 378 V HN 0.590 nan 8.190 nan 0.000 0.424 379 Y N 4.084 124.414 120.300 0.050 0.000 2.429 379 Y HA 0.750 5.300 4.550 -0.000 0.000 0.342 379 Y C 0.039 175.970 175.900 0.051 0.000 1.004 379 Y CA -0.898 57.248 58.100 0.077 0.000 1.075 379 Y CB 1.985 40.517 38.460 0.119 0.000 1.214 379 Y HN 0.427 nan 8.280 nan 0.000 0.455 380 I N 2.803 123.491 120.570 0.197 0.000 2.499 380 I HA 0.206 4.375 4.170 -0.000 0.000 0.288 380 I C -0.935 175.256 176.117 0.122 0.000 1.048 380 I CA -0.772 60.603 61.300 0.124 0.000 1.062 380 I CB 1.907 39.959 38.000 0.087 0.000 1.238 380 I HN 0.701 nan 8.210 nan 0.000 0.426 381 D N 5.000 125.456 120.400 0.094 0.000 2.737 381 D HA -0.201 4.439 4.640 -0.000 0.000 0.233 381 D C 1.123 177.491 176.300 0.114 0.000 1.155 381 D CA 1.645 55.695 54.000 0.083 0.000 0.667 381 D CB -1.024 39.813 40.800 0.062 0.000 1.060 381 D HN 1.166 nan 8.370 nan 0.000 0.427 382 G N -2.001 106.895 108.800 0.160 0.000 2.155 382 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 382 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 382 G C 0.304 175.379 174.900 0.292 0.000 0.983 382 G CA 0.398 45.612 45.100 0.189 0.000 0.676 382 G HN 0.624 nan 8.290 nan 0.000 0.528 383 V N 0.465 120.554 119.914 0.293 0.000 2.417 383 V HA 0.438 4.557 4.120 -0.000 0.000 0.291 383 V C 0.582 176.786 176.094 0.183 0.000 1.024 383 V CA -0.927 61.515 62.300 0.236 0.000 0.861 383 V CB 1.886 33.783 31.823 0.124 0.000 0.985 383 V HN 0.411 nan 8.190 nan 0.000 0.436 384 E N 2.776 122.995 120.200 0.032 0.000 2.366 384 E HA 0.142 4.492 4.350 -0.000 0.000 0.266 384 E C 0.529 177.048 176.600 -0.134 0.000 1.015 384 E CA 0.002 56.188 56.400 -0.356 0.000 0.906 384 E CB 1.117 30.560 29.700 -0.429 0.000 0.979 384 E HN 0.690 nan 8.360 nan 0.000 0.443 385 V N 2.603 122.459 119.914 -0.097 0.000 3.502 385 V HA 0.403 4.523 4.120 -0.000 0.000 0.288 385 V C -0.168 175.974 176.094 0.081 0.000 1.461 385 V CA -0.383 61.924 62.300 0.012 0.000 1.029 385 V CB -0.160 31.705 31.823 0.069 0.000 0.843 385 V HN 0.486 nan 8.190 nan 0.000 0.438 386 F N 1.003 120.856 119.950 -0.161 0.000 2.628 386 F HA 0.787 5.314 4.527 -0.000 0.000 0.309 386 F C -0.800 174.896 175.800 -0.174 0.000 1.108 386 F CA -0.925 56.987 58.000 -0.146 0.000 0.971 386 F CB 1.757 40.676 39.000 -0.134 0.000 1.279 386 F HN 0.021 nan 8.300 nan 0.000 0.441 387 R N 4.809 124.758 120.500 -0.918 0.000 2.533 387 R HA 0.377 4.717 4.340 -0.000 0.000 0.288 387 R C -1.244 174.508 176.300 -0.914 0.000 1.039 387 R CA -0.965 54.736 56.100 -0.665 0.000 0.909 387 R CB 1.649 31.742 30.300 -0.345 0.000 1.195 387 R HN 0.888 nan 8.270 nan 0.000 0.438 388 R N 4.023 124.194 120.500 -0.547 0.000 2.399 388 R HA 0.019 4.359 4.340 -0.000 0.000 0.324 388 R C -0.778 175.402 176.300 -0.199 0.000 1.030 388 R CA 0.564 56.490 56.100 -0.291 0.000 0.984 388 R CB 0.274 30.555 30.300 -0.032 0.000 0.961 388 R HN 0.729 nan 8.270 nan 0.000 0.433 389 E N 0.000 120.085 120.200 -0.192 0.000 2.725 389 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 389 E CA 0.000 56.327 56.400 -0.121 0.000 0.976 389 E CB 0.000 29.659 29.700 -0.068 0.000 0.812 389 E HN 0.000 nan 8.360 nan 0.000 0.440