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 3cfv_1_A DATA FIRST_RESID 0 DATA SEQUENCE AXASKEXFED TVEERVINEE YKIWKKNTPF LYDLVXTHAL QWPSLTVQWL DATA SEQUENCE PEVTKPEGKD YALHWLVLGT HTSDEQNHLV VARVHIPNDX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX VTGKIECEIK INHEGEVNRA RYXPQNPHII ATKTPSSDVL DATA SEQUENCE VFDYTKHPAK PDPSGECNPD LRLRGHQKEG YGLSWNSNLS GHLLSASDDH DATA SEQUENCE TVCLWDINAG PKEGKIVDAK AIFTGHSAVV EDVAWHLLHE SLFGSVADDQ DATA SEQUENCE KLXIWDTRSN TTSKPSHLVD AHTAEVNCLS FNPYSEFILA TGSADKTVAL DATA SEQUENCE WDLRNLKLKL HTFESHKDEI FQVHWSPHNE TILASSGTDR RLNVWDLSKI DATA SEQUENCE GEEQSAEDAE DGPPELLFIH GGHTAKISDF SWNPNEPWVI CSVSEDNIXQ DATA SEQUENCE IWQXAENIYN 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.585 177.584 0.001 0.000 1.274 0 A CA 0.000 52.038 52.037 0.002 0.000 0.836 0 A CB 0.000 19.001 19.000 0.002 0.000 0.831 3 S N -0.076 115.624 115.700 0.001 0.000 2.537 3 S HA 0.816 5.286 4.470 -0.000 0.000 0.301 3 S C -0.501 174.100 174.600 0.001 0.000 1.092 3 S CA -0.387 57.813 58.200 0.001 0.000 1.048 3 S CB 1.300 64.501 63.200 0.001 0.000 1.053 3 S HN 0.996 nan 8.310 nan 0.000 0.501 4 K N 2.911 123.310 120.400 -0.001 0.000 2.984 4 K HA 0.288 4.608 4.320 -0.000 0.000 0.211 4 K C -0.993 175.602 176.600 -0.008 0.000 1.174 4 K CA -0.188 56.099 56.287 0.000 0.000 0.978 4 K CB 0.103 32.606 32.500 0.005 0.000 1.212 4 K HN 0.784 nan 8.250 nan 0.000 0.589 8 E N 0.081 120.378 120.200 0.161 0.000 2.216 8 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 8 E C -0.030 176.621 176.600 0.085 0.000 0.988 8 E CA 0.939 57.392 56.400 0.089 0.000 0.834 8 E CB 0.158 29.896 29.700 0.064 0.000 0.772 8 E HN 0.453 nan 8.360 nan 0.000 0.479 9 D N 0.841 121.301 120.400 0.100 0.000 2.347 9 D HA 0.022 4.662 4.640 -0.000 0.000 0.235 9 D C 0.921 177.260 176.300 0.065 0.000 1.149 9 D CA 0.027 54.064 54.000 0.060 0.000 0.850 9 D CB 1.195 42.014 40.800 0.032 0.000 1.061 9 D HN -0.050 nan 8.370 nan 0.000 0.487 10 T N 0.123 114.708 114.554 0.052 0.000 3.023 10 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 10 T C 1.907 176.622 174.700 0.025 0.000 1.093 10 T CA 0.364 62.495 62.100 0.051 0.000 1.129 10 T CB 0.019 68.912 68.868 0.041 0.000 0.899 10 T HN 0.183 nan 8.240 nan 0.000 0.491 11 V N 1.543 121.464 119.914 0.011 0.000 2.323 11 V HA -0.064 4.056 4.120 -0.000 0.000 0.244 11 V C 2.745 178.824 176.094 -0.025 0.000 1.041 11 V CA 1.849 64.147 62.300 -0.003 0.000 1.025 11 V CB -0.558 31.263 31.823 -0.003 0.000 0.656 11 V HN 0.522 nan 8.190 nan 0.000 0.451 12 E N -0.103 120.075 120.200 -0.037 0.000 2.152 12 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 12 E C 2.227 178.732 176.600 -0.159 0.000 0.983 12 E CA 1.093 57.442 56.400 -0.085 0.000 0.818 12 E CB 0.024 29.674 29.700 -0.083 0.000 0.758 12 E HN 0.712 nan 8.360 nan 0.000 0.467 13 E N 0.642 120.765 120.200 -0.128 0.000 2.058 13 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 13 E C 2.092 178.625 176.600 -0.111 0.000 0.997 13 E CA 1.183 57.482 56.400 -0.168 0.000 0.801 13 E CB 0.073 29.847 29.700 0.123 0.000 0.746 13 E HN 0.146 nan 8.360 nan 0.000 0.450 14 R N 0.001 120.476 120.500 -0.043 0.000 2.073 14 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 14 R C 2.536 178.812 176.300 -0.040 0.000 1.134 14 R CA 1.559 57.646 56.100 -0.022 0.000 0.952 14 R CB -0.410 29.886 30.300 -0.006 0.000 0.850 14 R HN 0.130 nan 8.270 nan 0.000 0.433 15 V N 1.576 121.455 119.914 -0.059 0.000 2.255 15 V HA -0.277 3.842 4.120 -0.000 0.000 0.247 15 V C 2.310 178.360 176.094 -0.074 0.000 1.051 15 V CA 1.925 64.190 62.300 -0.057 0.000 1.018 15 V CB -0.459 31.326 31.823 -0.062 0.000 0.641 15 V HN 0.293 nan 8.190 nan 0.000 0.445 16 I N 0.445 120.929 120.570 -0.143 0.000 2.208 16 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 16 I C 2.383 178.447 176.117 -0.088 0.000 1.097 16 I CA 1.631 62.825 61.300 -0.177 0.000 1.363 16 I CB -0.534 37.232 38.000 -0.391 0.000 1.051 16 I HN 0.369 nan 8.210 nan 0.000 0.413 17 N N 0.451 119.108 118.700 -0.070 0.000 2.188 17 N HA -0.152 4.587 4.740 -0.000 0.000 0.184 17 N C 1.786 177.356 175.510 0.100 0.000 1.018 17 N CA 1.054 54.121 53.050 0.028 0.000 0.858 17 N CB -0.219 38.286 38.487 0.029 0.000 0.989 17 N HN 0.314 nan 8.380 nan 0.000 0.426 18 E N 1.110 121.341 120.200 0.052 0.000 2.072 18 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 18 E C 1.729 178.368 176.600 0.066 0.000 0.985 18 E CA 0.628 57.062 56.400 0.057 0.000 0.801 18 E CB -0.158 29.557 29.700 0.026 0.000 0.750 18 E HN 0.520 nan 8.360 nan 0.000 0.452 19 E N -0.032 120.197 120.200 0.049 0.000 2.085 19 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 19 E C 1.978 178.641 176.600 0.106 0.000 0.994 19 E CA 1.017 57.445 56.400 0.048 0.000 0.801 19 E CB -0.274 29.429 29.700 0.006 0.000 0.743 19 E HN 0.259 nan 8.360 nan 0.000 0.453 20 Y N 1.830 122.135 120.300 0.009 0.000 2.181 20 Y HA -0.224 4.326 4.550 -0.001 0.000 0.288 20 Y C 1.919 177.921 175.900 0.171 0.000 1.146 20 Y CA 1.660 59.797 58.100 0.061 0.000 1.164 20 Y CB 0.095 38.548 38.460 -0.011 0.000 0.982 20 Y HN -0.163 nan 8.280 nan 0.000 0.515 21 K N -0.028 120.476 120.400 0.173 0.000 2.103 21 K HA -0.176 4.143 4.320 -0.000 0.000 0.207 21 K C 1.998 178.602 176.600 0.007 0.000 1.048 21 K CA 1.896 58.233 56.287 0.084 0.000 0.930 21 K CB -0.257 32.306 32.500 0.105 0.000 0.716 21 K HN 0.406 nan 8.250 nan 0.000 0.444 22 I N -0.736 119.852 120.570 0.031 0.000 2.286 22 I HA -0.229 3.940 4.170 -0.000 0.000 0.245 22 I C 2.276 178.397 176.117 0.006 0.000 1.104 22 I CA 0.905 62.214 61.300 0.015 0.000 1.397 22 I CB -0.226 37.788 38.000 0.022 0.000 1.072 22 I HN 0.328 nan 8.210 nan 0.000 0.417 23 W N 2.429 123.622 121.300 -0.179 0.000 2.338 23 W HA -0.258 4.402 4.660 -0.000 0.000 0.304 23 W C 2.509 178.891 176.519 -0.228 0.000 1.212 23 W CA 1.705 58.927 57.345 -0.205 0.000 1.264 23 W CB -0.052 29.243 29.460 -0.275 0.000 1.142 23 W HN -0.102 nan 8.180 nan 0.000 0.512 24 K N 0.524 120.757 120.400 -0.278 0.000 2.097 24 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 24 K C 2.029 178.419 176.600 -0.350 0.000 1.049 24 K CA 1.585 57.596 56.287 -0.460 0.000 0.933 24 K CB -0.216 32.111 32.500 -0.289 0.000 0.717 24 K HN 0.115 nan 8.250 nan 0.000 0.442 25 K N -0.002 120.280 120.400 -0.196 0.000 2.211 25 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 25 K C 1.473 178.033 176.600 -0.065 0.000 1.050 25 K CA 1.243 57.467 56.287 -0.104 0.000 0.945 25 K CB -0.072 32.409 32.500 -0.032 0.000 0.732 25 K HN 0.287 nan 8.250 nan 0.000 0.451 26 N N 0.010 118.641 118.700 -0.115 0.000 2.424 26 N HA -0.077 4.662 4.740 -0.000 0.000 0.178 26 N C 1.461 176.938 175.510 -0.055 0.000 1.060 26 N CA 0.788 53.857 53.050 0.031 0.000 0.901 26 N CB 0.207 38.666 38.487 -0.047 0.000 0.979 26 N HN 0.214 nan 8.380 nan 0.000 0.451 27 T N 0.027 114.386 114.554 -0.324 0.000 2.685 27 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 27 T C -0.983 173.685 174.700 -0.054 0.000 1.034 27 T CA 1.007 62.975 62.100 -0.220 0.000 1.149 27 T CB -1.667 66.885 68.868 -0.526 0.000 0.860 27 T HN 0.135 nan 8.240 nan 0.000 0.449 28 P HA 0.045 nan 4.420 nan 0.000 0.222 28 P C 0.791 177.881 177.300 -0.350 0.000 1.147 28 P CA 0.759 63.673 63.100 -0.310 0.000 0.790 28 P CB -0.302 31.101 31.700 -0.494 0.000 0.780 29 F N -1.872 118.040 119.950 -0.063 0.000 2.530 29 F HA 0.133 4.660 4.527 -0.000 0.000 0.292 29 F C 2.034 177.787 175.800 -0.078 0.000 1.109 29 F CA 0.768 58.727 58.000 -0.069 0.000 1.450 29 F CB -0.660 38.291 39.000 -0.081 0.000 1.114 29 F HN -0.212 nan 8.300 nan 0.000 0.560 30 L N -1.974 119.287 121.223 0.063 0.000 2.556 30 L HA 0.137 4.476 4.340 -0.000 0.000 0.226 30 L C -0.756 175.910 176.870 -0.340 0.000 1.089 30 L CA 0.228 54.995 54.840 -0.121 0.000 0.864 30 L CB 0.111 42.025 42.059 -0.242 0.000 1.067 30 L HN -0.001 nan 8.230 nan 0.000 0.477 31 Y N -1.584 118.763 120.300 0.078 0.000 2.512 31 Y HA 0.244 4.793 4.550 -0.001 0.000 0.348 31 Y C 0.490 176.412 175.900 0.038 0.000 0.990 31 Y CA -0.998 57.157 58.100 0.090 0.000 1.033 31 Y CB 1.372 39.907 38.460 0.125 0.000 1.259 31 Y HN -0.205 nan 8.280 nan 0.000 0.461 32 D N 1.080 121.605 120.400 0.208 0.000 2.327 32 D HA 0.088 4.728 4.640 -0.000 0.000 0.205 32 D C -0.644 175.739 176.300 0.137 0.000 0.989 32 D CA 0.992 55.065 54.000 0.122 0.000 0.873 32 D CB 0.674 41.527 40.800 0.090 0.000 0.955 32 D HN 0.285 nan 8.370 nan 0.000 0.515 33 L N 0.503 121.852 121.223 0.212 0.000 2.543 33 L HA 0.367 4.706 4.340 -0.000 0.000 0.265 33 L C -1.081 175.905 176.870 0.193 0.000 0.945 33 L CA -0.671 54.269 54.840 0.166 0.000 0.869 33 L CB 1.886 44.026 42.059 0.135 0.000 1.294 33 L HN -0.183 nan 8.230 nan 0.000 0.405 37 H N 1.005 120.097 119.070 0.036 0.000 2.954 37 H HA 0.753 5.309 4.556 -0.001 0.000 0.361 37 H C -0.803 174.526 175.328 0.002 0.000 1.122 37 H CA 0.249 56.302 56.048 0.007 0.000 1.217 37 H CB 1.812 31.570 29.762 -0.008 0.000 1.776 37 H HN 1.150 nan 8.280 nan 0.000 0.533 38 A N 5.733 128.190 122.820 -0.604 0.000 2.289 38 A HA 0.509 4.828 4.320 -0.000 0.000 0.298 38 A C -0.640 176.524 177.584 -0.700 0.000 1.208 38 A CA -0.639 51.112 52.037 -0.476 0.000 0.845 38 A CB 0.029 18.847 19.000 -0.303 0.000 1.125 38 A HN 0.672 nan 8.150 nan 0.000 0.517 39 L N 1.712 122.732 121.223 -0.338 0.000 2.421 39 L HA 0.232 4.572 4.340 -0.000 0.000 0.263 39 L C 1.909 178.652 176.870 -0.211 0.000 1.122 39 L CA -0.341 54.391 54.840 -0.180 0.000 0.804 39 L CB 0.897 42.955 42.059 -0.002 0.000 1.150 39 L HN 1.032 nan 8.230 nan 0.000 0.457 40 Q N 1.339 121.000 119.800 -0.231 0.000 2.084 40 Q HA -0.113 4.226 4.340 -0.000 0.000 0.202 40 Q C -0.516 175.091 176.000 -0.654 0.000 0.978 40 Q CA 1.623 57.130 55.803 -0.495 0.000 0.844 40 Q CB 0.181 28.584 28.738 -0.558 0.000 0.898 40 Q HN 0.569 nan 8.270 nan 0.000 0.426 41 W N 0.583 121.880 121.300 -0.005 0.000 2.761 41 W HA 0.433 5.093 4.660 0.000 0.000 0.340 41 W C -2.201 174.330 176.519 0.021 0.000 1.072 41 W CA -2.888 54.460 57.345 0.005 0.000 1.215 41 W CB 1.079 30.552 29.460 0.021 0.000 1.420 41 W HN -0.000 nan 8.180 nan 0.000 0.519 42 P HA -0.007 nan 4.420 nan 0.000 0.268 42 P C -0.347 177.068 177.300 0.191 0.000 1.205 42 P CA 0.162 63.381 63.100 0.198 0.000 0.771 42 P CB 1.479 33.300 31.700 0.201 0.000 0.858 43 S N 2.120 117.890 115.700 0.117 0.000 2.508 43 S HA 0.308 4.778 4.470 -0.000 0.000 0.284 43 S C 1.081 175.701 174.600 0.033 0.000 1.192 43 S CA -0.699 57.547 58.200 0.077 0.000 1.070 43 S CB -0.042 63.192 63.200 0.058 0.000 1.004 43 S HN 0.331 nan 8.310 nan 0.000 0.493 44 L N 3.611 124.835 121.223 0.001 0.000 2.592 44 L HA 0.275 4.615 4.340 -0.000 0.000 0.227 44 L C 0.947 177.829 176.870 0.021 0.000 1.127 44 L CA 0.264 55.090 54.840 -0.022 0.000 0.884 44 L CB 0.472 42.496 42.059 -0.058 0.000 1.065 44 L HN 0.593 nan 8.230 nan 0.000 0.457 45 T N -0.270 114.297 114.554 0.022 0.000 2.923 45 T HA 0.635 4.984 4.350 -0.000 0.000 0.311 45 T C -1.399 173.312 174.700 0.017 0.000 1.183 45 T CA -0.486 61.635 62.100 0.034 0.000 1.020 45 T CB 1.598 70.488 68.868 0.036 0.000 1.165 45 T HN -0.171 nan 8.240 nan 0.000 0.482 46 V N 1.758 121.681 119.914 0.014 0.000 3.048 46 V HA 0.831 4.950 4.120 -0.000 0.000 0.303 46 V C -1.215 174.865 176.094 -0.023 0.000 1.214 46 V CA -0.874 61.405 62.300 -0.035 0.000 0.984 46 V CB 1.785 33.559 31.823 -0.083 0.000 1.054 46 V HN 0.990 nan 8.190 nan 0.000 0.430 47 Q N 1.774 121.557 119.800 -0.029 0.000 2.313 47 Q HA 0.397 4.737 4.340 -0.000 0.000 0.260 47 Q C -2.067 174.003 176.000 0.117 0.000 0.972 47 Q CA -0.494 55.361 55.803 0.087 0.000 0.886 47 Q CB 1.936 30.800 28.738 0.210 0.000 1.373 47 Q HN 0.829 nan 8.270 nan 0.000 0.416 48 W N 3.322 124.734 121.300 0.186 0.000 2.210 48 W HA 0.207 4.867 4.660 -0.001 0.000 0.330 48 W C 0.093 176.725 176.519 0.189 0.000 1.334 48 W CA -0.333 57.127 57.345 0.192 0.000 1.227 48 W CB 0.315 29.887 29.460 0.186 0.000 1.178 48 W HN 0.434 nan 8.180 nan 0.000 0.560 49 L N 6.437 127.866 121.223 0.342 0.000 2.452 49 L HA 0.131 4.471 4.340 -0.000 0.000 0.267 49 L C -0.754 176.168 176.870 0.086 0.000 1.188 49 L CA -2.241 52.606 54.840 0.012 0.000 0.821 49 L CB 0.303 42.395 42.059 0.055 0.000 1.102 49 L HN 0.282 nan 8.230 nan 0.000 0.470 50 P HA -0.059 nan 4.420 nan 0.000 0.229 50 P C -0.258 177.069 177.300 0.045 0.000 1.160 50 P CA 0.480 63.581 63.100 0.001 0.000 0.777 50 P CB 0.325 31.988 31.700 -0.062 0.000 0.814 51 E N -0.065 120.162 120.200 0.045 0.000 2.338 51 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 51 E C -0.346 176.401 176.600 0.244 0.000 1.029 51 E CA -0.250 56.194 56.400 0.073 0.000 0.872 51 E CB 1.073 30.707 29.700 -0.109 0.000 1.015 51 E HN -0.154 nan 8.360 nan 0.000 0.417 52 V N 2.298 122.297 119.914 0.143 0.000 3.049 52 V HA 0.730 4.850 4.120 -0.000 0.000 0.309 52 V C -1.177 174.955 176.094 0.063 0.000 1.148 52 V CA -0.234 62.077 62.300 0.020 0.000 0.990 52 V CB 2.553 34.255 31.823 -0.201 0.000 1.039 52 V HN 0.701 nan 8.190 nan 0.000 0.430 53 T N 4.766 119.332 114.554 0.020 0.000 2.982 53 T HA 0.476 4.826 4.350 -0.000 0.000 0.321 53 T C -1.584 173.099 174.700 -0.029 0.000 1.229 53 T CA -0.626 61.495 62.100 0.035 0.000 1.044 53 T CB 1.323 70.270 68.868 0.131 0.000 1.184 53 T HN 0.736 nan 8.240 nan 0.000 0.477 54 K N 4.523 124.900 120.400 -0.039 0.000 2.419 54 K HA 0.413 4.733 4.320 -0.000 0.000 0.244 54 K C -2.514 174.026 176.600 -0.100 0.000 1.045 54 K CA -1.657 54.583 56.287 -0.078 0.000 1.004 54 K CB 1.106 33.569 32.500 -0.062 0.000 1.376 54 K HN 0.358 nan 8.250 nan 0.000 0.460 55 P HA -0.111 nan 4.420 nan 0.000 0.266 55 P C -0.340 176.874 177.300 -0.143 0.000 1.193 55 P CA -0.141 62.880 63.100 -0.132 0.000 0.770 55 P CB 0.541 32.130 31.700 -0.184 0.000 0.836 56 E N 1.295 121.442 120.200 -0.088 0.000 2.376 56 E HA 0.193 4.542 4.350 -0.000 0.000 0.266 56 E C 1.092 177.637 176.600 -0.092 0.000 1.009 56 E CA 0.731 57.086 56.400 -0.075 0.000 0.902 56 E CB -0.362 29.312 29.700 -0.043 0.000 0.972 56 E HN 0.747 nan 8.360 nan 0.000 0.439 57 G N 4.126 112.871 108.800 -0.091 0.000 2.253 57 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.251 57 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.251 57 G C 0.098 174.923 174.900 -0.126 0.000 0.998 57 G CA 0.340 45.390 45.100 -0.083 0.000 0.621 57 G HN 0.485 nan 8.290 nan 0.000 0.524 58 K N 1.092 121.354 120.400 -0.230 0.000 2.098 58 K HA 0.466 4.786 4.320 -0.000 0.000 0.257 58 K C 0.433 176.825 176.600 -0.347 0.000 0.999 58 K CA 0.054 56.095 56.287 -0.409 0.000 0.924 58 K CB 1.008 32.966 32.500 -0.903 0.000 1.028 58 K HN 0.379 nan 8.250 nan 0.000 0.466 59 D N -0.546 119.680 120.400 -0.290 0.000 2.501 59 D HA 0.057 4.696 4.640 -0.000 0.000 0.226 59 D C -0.042 176.255 176.300 -0.005 0.000 1.198 59 D CA -0.206 53.738 54.000 -0.094 0.000 0.830 59 D CB -0.359 40.450 40.800 0.016 0.000 1.014 59 D HN 0.450 nan 8.370 nan 0.000 0.496 60 Y N -1.490 118.788 120.300 -0.036 0.000 2.715 60 Y HA 0.840 5.390 4.550 -0.001 0.000 0.331 60 Y C -1.213 174.643 175.900 -0.073 0.000 1.197 60 Y CA -2.126 55.948 58.100 -0.043 0.000 1.079 60 Y CB 0.821 39.248 38.460 -0.055 0.000 1.298 60 Y HN -0.005 nan 8.280 nan 0.000 0.477 61 A N 0.992 123.959 122.820 0.245 0.000 2.380 61 A HA 0.758 5.077 4.320 -0.000 0.000 0.315 61 A C -2.024 175.649 177.584 0.147 0.000 1.101 61 A CA -0.779 51.338 52.037 0.133 0.000 0.771 61 A CB 1.377 20.469 19.000 0.152 0.000 1.287 61 A HN 0.592 nan 8.150 nan 0.000 0.436 62 L N 2.838 124.021 121.223 -0.067 0.000 2.264 62 L HA 0.457 4.796 4.340 -0.000 0.000 0.289 62 L C 0.095 176.640 176.870 -0.542 0.000 1.044 62 L CA 0.357 55.002 54.840 -0.325 0.000 0.807 62 L CB 0.453 42.275 42.059 -0.395 0.000 1.192 62 L HN 0.723 nan 8.230 nan 0.000 0.425 63 H N 2.695 121.470 119.070 -0.490 0.000 2.834 63 H HA 0.451 5.007 4.556 -0.001 0.000 0.369 63 H C -1.258 173.865 175.328 -0.341 0.000 1.174 63 H CA -0.706 55.256 56.048 -0.143 0.000 1.165 63 H CB 2.271 32.175 29.762 0.237 0.000 1.820 63 H HN 0.456 nan 8.280 nan 0.000 0.558 64 W N 1.613 123.135 121.300 0.371 0.000 2.883 64 W HA 0.282 4.942 4.660 -0.000 0.000 0.335 64 W C -1.205 175.391 176.519 0.128 0.000 1.083 64 W CA -0.558 56.896 57.345 0.181 0.000 1.233 64 W CB 2.385 31.894 29.460 0.081 0.000 1.412 64 W HN 0.138 nan 8.180 nan 0.000 0.490 65 L N 2.798 124.102 121.223 0.135 0.000 2.334 65 L HA 0.499 4.838 4.340 -0.000 0.000 0.276 65 L C -0.085 176.791 176.870 0.010 0.000 1.014 65 L CA -1.148 53.647 54.840 -0.076 0.000 0.815 65 L CB 1.492 43.370 42.059 -0.301 0.000 1.268 65 L HN 0.009 nan 8.230 nan 0.000 0.428 66 V N 5.133 125.060 119.914 0.022 0.000 2.364 66 V HA 0.472 4.592 4.120 -0.000 0.000 0.272 66 V C 0.354 176.449 176.094 0.003 0.000 1.036 66 V CA -0.279 62.049 62.300 0.047 0.000 0.880 66 V CB 1.504 33.409 31.823 0.135 0.000 0.991 66 V HN 0.539 nan 8.190 nan 0.000 0.460 67 L N 3.744 124.960 121.223 -0.011 0.000 2.230 67 L HA 1.013 5.353 4.340 -0.000 0.000 0.255 67 L C 0.559 177.415 176.870 -0.024 0.000 1.039 67 L CA -0.508 54.323 54.840 -0.015 0.000 0.846 67 L CB 2.248 44.300 42.059 -0.011 0.000 1.419 67 L HN 0.714 nan 8.230 nan 0.000 0.435 68 G N -1.015 107.775 108.800 -0.016 0.000 2.766 68 G HA2 0.675 4.635 3.960 -0.000 0.000 0.288 68 G HA3 0.675 4.635 3.960 -0.000 0.000 0.288 68 G C -1.314 173.601 174.900 0.026 0.000 1.408 68 G CA -0.261 44.811 45.100 -0.046 0.000 0.852 68 G HN 0.551 nan 8.290 nan 0.000 0.487 69 T N -2.942 111.626 114.554 0.023 0.000 2.942 69 T HA 0.641 4.991 4.350 -0.000 0.000 0.289 69 T C -1.092 173.661 174.700 0.089 0.000 1.044 69 T CA -0.679 61.484 62.100 0.105 0.000 1.023 69 T CB 2.129 71.065 68.868 0.114 0.000 1.123 69 T HN 0.746 nan 8.240 nan 0.000 0.512 70 H N 0.140 119.195 119.070 -0.026 0.000 3.036 70 H HA 0.578 5.133 4.556 -0.001 0.000 0.295 70 H C -1.190 174.007 175.328 -0.218 0.000 1.124 70 H CA -0.187 55.809 56.048 -0.087 0.000 1.507 70 H CB 0.815 30.574 29.762 -0.004 0.000 1.591 70 H HN 0.930 nan 8.280 nan 0.000 0.510 71 T N 2.489 116.672 114.554 -0.618 0.000 3.109 71 T HA 0.254 4.603 4.350 -0.000 0.000 0.311 71 T C 0.850 175.211 174.700 -0.565 0.000 1.011 71 T CA 0.060 61.660 62.100 -0.833 0.000 1.026 71 T CB 0.724 68.642 68.868 -1.584 0.000 1.047 71 T HN 0.549 nan 8.240 nan 0.000 0.448 72 S N 2.985 118.412 115.700 -0.454 0.000 2.496 72 S HA 0.042 4.511 4.470 -0.000 0.000 0.224 72 S C 1.046 175.510 174.600 -0.228 0.000 0.996 72 S CA 0.557 58.590 58.200 -0.277 0.000 0.927 72 S CB -0.025 63.054 63.200 -0.202 0.000 0.774 72 S HN 0.682 nan 8.310 nan 0.000 0.524 73 D N 1.554 121.792 120.400 -0.271 0.000 2.201 73 D HA 0.249 4.889 4.640 -0.000 0.000 0.209 73 D C 0.913 177.100 176.300 -0.188 0.000 0.961 73 D CA 0.853 54.741 54.000 -0.186 0.000 0.861 73 D CB 0.185 40.903 40.800 -0.137 0.000 0.997 73 D HN 0.626 nan 8.370 nan 0.000 0.486 74 E N -0.342 119.681 120.200 -0.295 0.000 2.447 74 E HA 0.321 4.671 4.350 -0.000 0.000 0.251 74 E C -0.622 175.822 176.600 -0.261 0.000 0.910 74 E CA -0.878 55.391 56.400 -0.220 0.000 0.841 74 E CB 0.817 30.441 29.700 -0.127 0.000 1.403 74 E HN -0.260 nan 8.360 nan 0.000 0.400 75 Q N 1.548 121.243 119.800 -0.174 0.000 2.311 75 Q HA 0.067 4.407 4.340 -0.000 0.000 0.272 75 Q C -0.962 174.831 176.000 -0.345 0.000 1.012 75 Q CA 0.449 56.119 55.803 -0.222 0.000 0.891 75 Q CB 0.327 28.970 28.738 -0.159 0.000 1.201 75 Q HN 0.274 nan 8.270 nan 0.000 0.391 76 N N 2.826 121.311 118.700 -0.358 0.000 2.466 76 N HA 0.356 5.096 4.740 -0.000 0.000 0.294 76 N C -1.080 174.163 175.510 -0.444 0.000 1.129 76 N CA -0.426 52.441 53.050 -0.306 0.000 0.931 76 N CB 0.976 39.389 38.487 -0.124 0.000 1.193 76 N HN 0.604 nan 8.380 nan 0.000 0.500 77 H N -0.281 118.784 119.070 -0.009 0.000 2.806 77 H HA 0.346 4.902 4.556 -0.000 0.000 0.367 77 H C -0.705 174.546 175.328 -0.128 0.000 1.136 77 H CA -0.782 55.245 56.048 -0.034 0.000 1.178 77 H CB 2.003 31.759 29.762 -0.011 0.000 1.718 77 H HN 0.273 nan 8.280 nan 0.000 0.540 78 L N 2.991 124.163 121.223 -0.085 0.000 2.305 78 L HA 0.494 4.834 4.340 -0.000 0.000 0.281 78 L C -1.143 175.664 176.870 -0.104 0.000 1.085 78 L CA -0.176 54.549 54.840 -0.193 0.000 0.813 78 L CB 0.611 42.448 42.059 -0.371 0.000 1.157 78 L HN 0.467 nan 8.230 nan 0.000 0.436 79 V N 5.658 125.529 119.914 -0.072 0.000 2.588 79 V HA 0.486 4.606 4.120 -0.000 0.000 0.304 79 V C -0.689 175.374 176.094 -0.053 0.000 1.042 79 V CA -0.706 61.562 62.300 -0.054 0.000 0.877 79 V CB 2.132 33.944 31.823 -0.018 0.000 0.996 79 V HN 0.518 nan 8.190 nan 0.000 0.425 80 V N 4.037 123.905 119.914 -0.077 0.000 2.357 80 V HA 0.756 4.876 4.120 -0.000 0.000 0.284 80 V C 0.387 176.486 176.094 0.009 0.000 1.018 80 V CA -0.476 61.792 62.300 -0.053 0.000 0.841 80 V CB 1.474 33.180 31.823 -0.195 0.000 0.991 80 V HN 0.978 nan 8.190 nan 0.000 0.437 81 A N 5.326 128.168 122.820 0.036 0.000 2.305 81 A HA 0.773 5.093 4.320 -0.000 0.000 0.322 81 A C -0.016 177.585 177.584 0.028 0.000 1.187 81 A CA -0.690 51.350 52.037 0.006 0.000 0.825 81 A CB 0.727 19.689 19.000 -0.064 0.000 1.164 81 A HN 0.844 nan 8.150 nan 0.000 0.498 82 R N 1.673 122.141 120.500 -0.053 0.000 2.312 82 R HA 0.573 4.913 4.340 -0.000 0.000 0.311 82 R C -0.838 175.305 176.300 -0.262 0.000 1.004 82 R CA -0.281 55.611 56.100 -0.346 0.000 0.902 82 R CB 0.991 31.199 30.300 -0.153 0.000 1.073 82 R HN 0.797 nan 8.270 nan 0.000 0.457 83 V N 1.180 120.926 119.914 -0.280 0.000 2.823 83 V HA 0.478 4.598 4.120 -0.000 0.000 0.312 83 V C -1.169 174.963 176.094 0.063 0.000 1.072 83 V CA -1.033 61.216 62.300 -0.086 0.000 0.937 83 V CB 1.826 33.633 31.823 -0.027 0.000 1.013 83 V HN 0.796 nan 8.190 nan 0.000 0.430 84 H N 4.255 123.203 119.070 -0.204 0.000 2.690 84 H HA 0.601 5.157 4.556 -0.001 0.000 0.289 84 H C -0.224 175.070 175.328 -0.058 0.000 1.089 84 H CA -0.916 55.001 56.048 -0.218 0.000 1.299 84 H CB 0.817 30.246 29.762 -0.556 0.000 1.405 84 H HN 0.671 nan 8.280 nan 0.000 0.463 85 I N 6.179 126.841 120.570 0.153 0.000 2.307 85 I HA 0.218 4.387 4.170 -0.000 0.000 0.289 85 I C -2.141 174.068 176.117 0.152 0.000 1.021 85 I CA -2.105 59.256 61.300 0.102 0.000 1.224 85 I CB 1.433 39.415 38.000 -0.031 0.000 1.376 85 I HN 0.290 nan 8.210 nan 0.000 0.470 86 P HA 0.025 nan 4.420 nan 0.000 0.265 86 P C -0.759 176.604 177.300 0.105 0.000 1.193 86 P CA 0.082 63.268 63.100 0.143 0.000 0.765 86 P CB 0.303 32.063 31.700 0.101 0.000 0.823 87 N N 1.693 120.449 118.700 0.093 0.000 2.508 87 N HA 0.234 4.974 4.740 -0.000 0.000 0.264 87 N C -0.166 175.370 175.510 0.044 0.000 1.216 87 N CA 0.223 53.306 53.050 0.055 0.000 0.943 87 N CB 0.378 38.881 38.487 0.026 0.000 1.113 87 N HN 0.506 nan 8.380 nan 0.000 0.447 111 T N -0.221 114.337 114.554 0.006 0.000 2.842 111 T HA 0.811 5.161 4.350 -0.000 0.000 0.308 111 T C 0.250 174.955 174.700 0.009 0.000 1.041 111 T CA 0.381 62.490 62.100 0.015 0.000 0.964 111 T CB 0.253 69.135 68.868 0.025 0.000 0.972 111 T HN 2.897 nan 8.240 nan 0.000 0.460 112 G N 1.634 110.433 108.800 -0.002 0.000 2.756 112 G HA2 0.077 4.037 3.960 -0.000 0.000 0.678 112 G HA3 0.077 4.037 3.960 -0.000 0.000 0.678 112 G C -1.093 173.739 174.900 -0.114 0.000 1.349 112 G CA -0.620 44.465 45.100 -0.024 0.000 0.847 112 G HN 0.924 nan 8.290 nan 0.000 0.548 113 K N -0.747 119.535 120.400 -0.197 0.000 2.523 113 K HA 0.704 5.024 4.320 -0.000 0.000 0.257 113 K C -1.209 175.178 176.600 -0.354 0.000 0.932 113 K CA -0.973 55.094 56.287 -0.367 0.000 0.812 113 K CB 1.951 34.015 32.500 -0.728 0.000 1.326 113 K HN 0.865 nan 8.250 nan 0.000 0.433 114 I N 2.505 122.866 120.570 -0.348 0.000 2.509 114 I HA 0.401 4.571 4.170 -0.000 0.000 0.293 114 I C -1.251 174.684 176.117 -0.303 0.000 1.020 114 I CA -0.247 60.852 61.300 -0.335 0.000 1.088 114 I CB 1.667 39.402 38.000 -0.441 0.000 1.267 114 I HN 0.758 nan 8.210 nan 0.000 0.430 115 E N 4.946 125.011 120.200 -0.225 0.000 2.433 115 E HA 0.426 4.776 4.350 -0.000 0.000 0.273 115 E C -1.602 174.940 176.600 -0.096 0.000 0.950 115 E CA -0.805 55.503 56.400 -0.154 0.000 0.796 115 E CB 2.183 31.805 29.700 -0.129 0.000 1.330 115 E HN 0.477 nan 8.360 nan 0.000 0.455 116 C N 1.824 121.086 119.300 -0.064 0.000 2.265 116 C HA 0.174 4.634 4.460 -0.000 0.000 0.332 116 C C 1.509 176.496 174.990 -0.004 0.000 1.248 116 C CA -0.203 58.791 59.018 -0.041 0.000 1.727 116 C CB 0.123 27.829 27.740 -0.056 0.000 2.348 116 C HN 0.883 nan 8.230 nan 0.000 0.519 117 E N 2.480 122.698 120.200 0.029 0.000 2.051 117 E HA 0.164 4.514 4.350 -0.000 0.000 0.189 117 E C 0.302 176.878 176.600 -0.040 0.000 0.979 117 E CA 1.068 57.499 56.400 0.052 0.000 0.803 117 E CB 0.246 30.026 29.700 0.133 0.000 0.761 117 E HN 0.740 nan 8.360 nan 0.000 0.451 118 I N -0.624 119.893 120.570 -0.087 0.000 2.828 118 I HA 0.276 4.446 4.170 -0.000 0.000 0.295 118 I C -1.715 174.339 176.117 -0.104 0.000 1.459 118 I CA -0.827 60.412 61.300 -0.102 0.000 1.015 118 I CB 1.626 39.537 38.000 -0.149 0.000 1.345 118 I HN -0.175 nan 8.210 nan 0.000 0.449 119 K N 7.200 127.544 120.400 -0.094 0.000 2.426 119 K HA 0.647 4.967 4.320 -0.000 0.000 0.254 119 K C -1.465 175.104 176.600 -0.051 0.000 0.936 119 K CA -0.536 55.685 56.287 -0.110 0.000 0.801 119 K CB 2.491 34.848 32.500 -0.238 0.000 1.139 119 K HN 0.392 nan 8.250 nan 0.000 0.424 120 I N 2.550 123.090 120.570 -0.050 0.000 2.406 120 I HA 0.195 4.365 4.170 -0.000 0.000 0.290 120 I C -0.281 175.846 176.117 0.017 0.000 0.999 120 I CA -1.138 60.110 61.300 -0.087 0.000 1.124 120 I CB 1.524 39.284 38.000 -0.401 0.000 1.289 120 I HN 0.461 nan 8.210 nan 0.000 0.441 121 N N 4.443 123.213 118.700 0.117 0.000 2.365 121 N HA -0.065 4.675 4.740 -0.000 0.000 0.265 121 N C -0.636 174.892 175.510 0.029 0.000 1.288 121 N CA 0.662 53.758 53.050 0.076 0.000 0.869 121 N CB 0.014 38.555 38.487 0.090 0.000 1.071 121 N HN 0.529 nan 8.380 nan 0.000 0.480 122 H N 0.676 119.668 119.070 -0.131 0.000 2.689 122 H HA 0.201 4.757 4.556 -0.000 0.000 0.346 122 H C -0.803 174.487 175.328 -0.063 0.000 1.037 122 H CA -0.649 55.356 56.048 -0.073 0.000 1.234 122 H CB 0.879 30.564 29.762 -0.128 0.000 1.572 122 H HN 0.214 nan 8.280 nan 0.000 0.524 123 E N 3.639 123.651 120.200 -0.313 0.000 2.220 123 E HA 0.328 4.678 4.350 -0.000 0.000 0.272 123 E C 0.558 177.077 176.600 -0.135 0.000 1.099 123 E CA 1.023 57.308 56.400 -0.192 0.000 0.907 123 E CB 0.393 29.994 29.700 -0.164 0.000 1.022 123 E HN 1.020 nan 8.360 nan 0.000 0.428 124 G N 3.648 112.432 108.800 -0.027 0.000 2.795 124 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.664 124 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.664 124 G C -0.171 174.814 174.900 0.141 0.000 1.381 124 G CA -0.361 44.752 45.100 0.022 0.000 0.853 124 G HN 0.569 nan 8.290 nan 0.000 0.545 125 E N -0.759 119.488 120.200 0.077 0.000 2.392 125 E HA 0.358 4.707 4.350 -0.000 0.000 0.259 125 E C 0.193 176.814 176.600 0.036 0.000 1.108 125 E CA -0.414 56.034 56.400 0.079 0.000 0.916 125 E CB 1.209 31.055 29.700 0.242 0.000 0.989 125 E HN 0.776 nan 8.360 nan 0.000 0.432 126 V N 3.523 123.366 119.914 -0.119 0.000 2.339 126 V HA -0.024 4.096 4.120 -0.000 0.000 0.261 126 V C 1.097 177.112 176.094 -0.132 0.000 1.058 126 V CA -0.516 61.640 62.300 -0.239 0.000 0.897 126 V CB 0.030 31.627 31.823 -0.378 0.000 1.052 126 V HN 0.546 nan 8.190 nan 0.000 0.480 127 N N 3.373 121.974 118.700 -0.166 0.000 2.120 127 N HA -0.062 4.678 4.740 -0.000 0.000 0.188 127 N C 0.869 176.315 175.510 -0.107 0.000 1.024 127 N CA 1.078 53.949 53.050 -0.298 0.000 0.852 127 N CB 0.003 38.048 38.487 -0.738 0.000 1.003 127 N HN 0.707 nan 8.380 nan 0.000 0.424 128 R N -0.885 119.571 120.500 -0.072 0.000 2.579 128 R HA 0.564 4.904 4.340 -0.000 0.000 0.260 128 R C -2.170 174.150 176.300 0.032 0.000 1.103 128 R CA -0.460 55.653 56.100 0.022 0.000 0.942 128 R CB 1.143 31.486 30.300 0.071 0.000 1.251 128 R HN 0.014 nan 8.270 nan 0.000 0.450 129 A N 3.575 126.434 122.820 0.065 0.000 2.374 129 A HA 0.819 5.139 4.320 -0.000 0.000 0.305 129 A C -1.232 176.454 177.584 0.170 0.000 1.053 129 A CA -0.672 51.433 52.037 0.112 0.000 0.726 129 A CB 1.737 20.783 19.000 0.075 0.000 1.229 129 A HN 0.696 nan 8.150 nan 0.000 0.431 130 R N 0.904 121.553 120.500 0.249 0.000 2.564 130 R HA 0.547 4.887 4.340 -0.000 0.000 0.284 130 R C -0.903 175.647 176.300 0.417 0.000 1.031 130 R CA -0.564 55.708 56.100 0.286 0.000 0.904 130 R CB 1.264 31.721 30.300 0.260 0.000 1.199 130 R HN 0.868 nan 8.270 nan 0.000 0.443 134 Q N 0.357 120.062 119.800 -0.158 0.000 2.311 134 Q HA 0.181 4.521 4.340 -0.000 0.000 0.203 134 Q C 0.523 176.405 176.000 -0.196 0.000 0.954 134 Q CA 0.923 56.634 55.803 -0.154 0.000 0.885 134 Q CB 0.224 28.868 28.738 -0.157 0.000 0.963 134 Q HN 0.393 nan 8.270 nan 0.000 0.471 135 N N -0.446 118.092 118.700 -0.271 0.000 2.685 135 N HA 0.149 4.889 4.740 -0.000 0.000 0.252 135 N C -2.524 172.741 175.510 -0.409 0.000 1.261 135 N CA -1.365 51.448 53.050 -0.395 0.000 0.768 135 N CB 1.121 39.327 38.487 -0.467 0.000 1.304 135 N HN -0.193 nan 8.380 nan 0.000 0.536 136 P HA -0.114 nan 4.420 nan 0.000 0.226 136 P C 0.377 177.576 177.300 -0.169 0.000 1.146 136 P CA 1.172 64.150 63.100 -0.202 0.000 0.773 136 P CB -0.109 31.396 31.700 -0.324 0.000 0.772 137 H N -2.819 116.090 119.070 -0.267 0.000 2.526 137 H HA 0.291 4.847 4.556 -0.000 0.000 0.274 137 H C 0.390 175.487 175.328 -0.386 0.000 0.999 137 H CA -0.475 55.197 56.048 -0.627 0.000 1.157 137 H CB -0.902 28.181 29.762 -1.131 0.000 1.407 137 H HN 0.069 nan 8.280 nan 0.000 0.568 138 I N 1.923 122.383 120.570 -0.185 0.000 2.321 138 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 138 I C -0.635 175.520 176.117 0.063 0.000 0.998 138 I CA -0.615 60.654 61.300 -0.052 0.000 1.227 138 I CB 1.434 39.319 38.000 -0.190 0.000 1.368 138 I HN 0.149 nan 8.210 nan 0.000 0.466 139 I N 5.894 126.625 120.570 0.268 0.000 2.447 139 I HA 0.495 4.664 4.170 -0.000 0.000 0.287 139 I C 0.187 176.600 176.117 0.493 0.000 1.023 139 I CA -0.483 61.053 61.300 0.394 0.000 1.083 139 I CB 1.922 40.143 38.000 0.369 0.000 1.245 139 I HN 0.563 nan 8.210 nan 0.000 0.434 140 A N 4.025 127.205 122.820 0.599 0.000 2.286 140 A HA 0.817 5.137 4.320 -0.000 0.000 0.286 140 A C -0.101 177.647 177.584 0.274 0.000 1.097 140 A CA -0.297 51.966 52.037 0.376 0.000 0.821 140 A CB 1.300 20.391 19.000 0.151 0.000 1.076 140 A HN 0.646 nan 8.150 nan 0.000 0.490 141 T N 0.939 115.610 114.554 0.196 0.000 3.041 141 T HA 0.455 4.805 4.350 -0.000 0.000 0.321 141 T C -1.403 173.362 174.700 0.108 0.000 1.184 141 T CA -0.799 61.412 62.100 0.185 0.000 1.050 141 T CB 0.775 69.840 68.868 0.329 0.000 1.159 141 T HN 0.525 nan 8.240 nan 0.000 0.469 142 K N 3.619 124.040 120.400 0.035 0.000 2.211 142 K HA 0.478 4.798 4.320 -0.000 0.000 0.275 142 K C 0.562 177.157 176.600 -0.008 0.000 1.024 142 K CA -0.511 55.754 56.287 -0.036 0.000 0.887 142 K CB 1.566 33.988 32.500 -0.130 0.000 1.084 142 K HN 0.876 nan 8.250 nan 0.000 0.463 143 T N -1.423 113.135 114.554 0.008 0.000 2.936 143 T HA 0.387 4.737 4.350 -0.000 0.000 0.282 143 T C -1.770 172.899 174.700 -0.051 0.000 1.003 143 T CA -1.798 60.331 62.100 0.049 0.000 1.005 143 T CB 1.615 70.497 68.868 0.024 0.000 1.097 143 T HN 0.221 nan 8.240 nan 0.000 0.532 144 P HA 0.062 nan 4.420 nan 0.000 0.242 144 P C 0.808 178.086 177.300 -0.037 0.000 1.197 144 P CA 0.206 63.279 63.100 -0.046 0.000 0.765 144 P CB -0.080 31.611 31.700 -0.014 0.000 0.936 145 S N -1.488 114.191 115.700 -0.035 0.000 2.337 145 S HA 0.313 4.782 4.470 -0.000 0.000 0.258 145 S C 1.645 176.232 174.600 -0.022 0.000 1.178 145 S CA 0.036 58.219 58.200 -0.029 0.000 1.023 145 S CB 0.017 63.196 63.200 -0.035 0.000 1.136 145 S HN -0.070 nan 8.310 nan 0.000 0.458 146 S N 0.365 116.062 115.700 -0.006 0.000 2.517 146 S HA 0.183 4.653 4.470 -0.000 0.000 0.228 146 S C -0.102 174.529 174.600 0.053 0.000 1.060 146 S CA -0.062 58.158 58.200 0.032 0.000 0.937 146 S CB -0.878 62.349 63.200 0.044 0.000 0.840 146 S HN 0.723 nan 8.310 nan 0.000 0.546 147 D N 2.298 122.704 120.400 0.010 0.000 2.399 147 D HA 0.212 4.852 4.640 -0.000 0.000 0.241 147 D C 0.110 176.364 176.300 -0.077 0.000 1.133 147 D CA 0.039 54.023 54.000 -0.027 0.000 0.890 147 D CB 1.149 41.904 40.800 -0.074 0.000 1.201 147 D HN 0.281 nan 8.370 nan 0.000 0.432 148 V N -0.208 119.604 119.914 -0.171 0.000 2.481 148 V HA 0.527 4.647 4.120 -0.000 0.000 0.286 148 V C -0.344 175.592 176.094 -0.263 0.000 1.042 148 V CA -0.763 61.411 62.300 -0.209 0.000 0.928 148 V CB 0.921 32.578 31.823 -0.277 0.000 0.986 148 V HN 0.362 nan 8.190 nan 0.000 0.462 149 L N 4.858 125.994 121.223 -0.144 0.000 2.344 149 L HA 0.750 5.090 4.340 -0.000 0.000 0.272 149 L C -0.564 176.212 176.870 -0.157 0.000 1.035 149 L CA -0.952 53.766 54.840 -0.202 0.000 0.807 149 L CB 1.978 43.930 42.059 -0.178 0.000 1.237 149 L HN 0.501 nan 8.230 nan 0.000 0.442 150 V N 1.825 121.571 119.914 -0.280 0.000 2.531 150 V HA 0.453 4.572 4.120 -0.000 0.000 0.301 150 V C -0.825 175.131 176.094 -0.229 0.000 1.034 150 V CA -0.382 61.870 62.300 -0.080 0.000 0.865 150 V CB 1.661 33.493 31.823 0.014 0.000 0.995 150 V HN 0.384 nan 8.190 nan 0.000 0.424 151 F N 2.388 122.432 119.950 0.158 0.000 2.495 151 F HA 0.516 5.043 4.527 -0.000 0.000 0.327 151 F C 0.057 175.963 175.800 0.177 0.000 1.103 151 F CA -0.645 57.453 58.000 0.162 0.000 0.949 151 F CB 1.849 40.893 39.000 0.073 0.000 1.142 151 F HN 0.434 nan 8.300 nan 0.000 0.457 152 D N 2.584 123.218 120.400 0.391 0.000 2.454 152 D HA 0.069 4.709 4.640 -0.000 0.000 0.225 152 D C 0.491 176.992 176.300 0.335 0.000 1.081 152 D CA -0.551 53.605 54.000 0.259 0.000 0.864 152 D CB 0.389 41.289 40.800 0.167 0.000 1.040 152 D HN 0.577 nan 8.370 nan 0.000 0.517 153 Y N 1.512 121.971 120.300 0.265 0.000 2.574 153 Y HA -0.071 4.479 4.550 -0.000 0.000 0.294 153 Y C 1.748 177.727 175.900 0.130 0.000 1.142 153 Y CA 1.009 59.224 58.100 0.192 0.000 1.314 153 Y CB -0.380 38.127 38.460 0.077 0.000 0.991 153 Y HN 0.273 nan 8.280 nan 0.000 0.555 154 T N -2.265 112.292 114.554 0.005 0.000 3.118 154 T HA 0.060 4.409 4.350 -0.000 0.000 0.260 154 T C 0.967 175.674 174.700 0.012 0.000 1.139 154 T CA 0.415 62.480 62.100 -0.058 0.000 1.085 154 T CB -0.184 68.428 68.868 -0.427 0.000 0.934 154 T HN 0.449 nan 8.240 nan 0.000 0.518 155 K N 0.821 121.274 120.400 0.088 0.000 2.514 155 K HA 0.219 4.538 4.320 -0.000 0.000 0.207 155 K C -0.353 176.138 176.600 -0.181 0.000 1.035 155 K CA -0.319 55.946 56.287 -0.036 0.000 1.113 155 K CB 0.361 32.812 32.500 -0.081 0.000 0.846 155 K HN 0.551 nan 8.250 nan 0.000 0.491 156 H N 0.722 119.852 119.070 0.100 0.000 2.768 156 H HA 0.257 4.813 4.556 -0.000 0.000 0.371 156 H C -2.447 172.927 175.328 0.077 0.000 1.151 156 H CA -1.992 54.119 56.048 0.105 0.000 1.165 156 H CB 1.924 31.773 29.762 0.146 0.000 1.722 156 H HN -0.007 nan 8.280 nan 0.000 0.543 157 P HA 0.031 nan 4.420 nan 0.000 0.269 157 P C 0.640 177.995 177.300 0.091 0.000 1.209 157 P CA -0.059 63.100 63.100 0.100 0.000 0.776 157 P CB 0.807 32.556 31.700 0.082 0.000 0.876 158 A N 3.453 126.308 122.820 0.059 0.000 1.903 158 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 158 A C 1.188 178.786 177.584 0.023 0.000 1.191 158 A CA 1.549 53.608 52.037 0.037 0.000 0.638 158 A CB -0.630 18.386 19.000 0.027 0.000 0.823 158 A HN 0.652 nan 8.150 nan 0.000 0.451 159 K N 0.595 121.010 120.400 0.026 0.000 2.206 159 K HA 0.402 4.721 4.320 -0.000 0.000 0.264 159 K C -2.928 173.694 176.600 0.037 0.000 0.967 159 K CA -2.423 53.872 56.287 0.014 0.000 0.844 159 K CB 1.485 33.991 32.500 0.010 0.000 1.099 159 K HN 0.093 nan 8.250 nan 0.000 0.441 160 P HA 0.063 nan 4.420 nan 0.000 0.275 160 P C -0.999 176.353 177.300 0.087 0.000 1.228 160 P CA -0.254 62.897 63.100 0.084 0.000 0.786 160 P CB 0.697 32.468 31.700 0.117 0.000 0.927 161 D N 2.733 123.191 120.400 0.096 0.000 2.371 161 D HA 0.086 4.726 4.640 -0.000 0.000 0.256 161 D C -1.392 174.961 176.300 0.088 0.000 1.193 161 D CA -1.641 52.406 54.000 0.078 0.000 0.881 161 D CB 0.396 41.237 40.800 0.069 0.000 1.143 161 D HN 0.138 nan 8.370 nan 0.000 0.473 162 P HA -0.132 nan 4.420 nan 0.000 0.226 162 P C 0.746 178.084 177.300 0.064 0.000 1.146 162 P CA 0.795 63.942 63.100 0.079 0.000 0.773 162 P CB 0.041 31.776 31.700 0.058 0.000 0.772 163 S N -2.008 113.724 115.700 0.052 0.000 2.603 163 S HA 0.192 4.662 4.470 -0.000 0.000 0.220 163 S C 1.651 176.269 174.600 0.030 0.000 0.967 163 S CA 0.387 58.609 58.200 0.036 0.000 0.920 163 S CB -1.328 61.890 63.200 0.031 0.000 0.773 163 S HN 0.268 nan 8.310 nan 0.000 0.529 164 G N 1.588 110.414 108.800 0.043 0.000 2.198 164 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 164 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 164 G C -0.323 174.587 174.900 0.016 0.000 1.025 164 G CA 0.098 45.209 45.100 0.018 0.000 0.769 164 G HN 0.585 nan 8.290 nan 0.000 0.507 165 E N -0.329 119.895 120.200 0.040 0.000 2.265 165 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 165 E C 0.542 177.185 176.600 0.072 0.000 1.067 165 E CA -0.228 56.198 56.400 0.043 0.000 0.900 165 E CB 1.257 30.986 29.700 0.047 0.000 1.017 165 E HN 0.311 nan 8.360 nan 0.000 0.431 166 C N 4.692 124.027 119.300 0.058 0.000 2.303 166 C HA 0.260 4.720 4.460 -0.000 0.000 0.341 166 C C 0.024 175.089 174.990 0.126 0.000 1.244 166 C CA -0.551 58.530 59.018 0.105 0.000 1.765 166 C CB -1.472 26.291 27.740 0.039 0.000 2.379 166 C HN 0.586 nan 8.230 nan 0.000 0.530 167 N N 6.206 125.043 118.700 0.229 0.000 2.904 167 N HA 0.308 5.048 4.740 -0.000 0.000 0.257 167 N C -2.839 172.792 175.510 0.201 0.000 1.363 167 N CA -0.847 52.308 53.050 0.175 0.000 0.856 167 N CB 1.036 39.617 38.487 0.156 0.000 1.166 167 N HN 0.537 nan 8.380 nan 0.000 0.499 168 P HA 0.096 nan 4.420 nan 0.000 0.271 168 P C -0.297 176.874 177.300 -0.215 0.000 1.216 168 P CA -0.076 62.762 63.100 -0.437 0.000 0.776 168 P CB 0.982 32.372 31.700 -0.516 0.000 0.881 169 D N 0.851 121.133 120.400 -0.196 0.000 2.312 169 D HA 0.050 4.690 4.640 -0.000 0.000 0.211 169 D C 0.024 176.263 176.300 -0.103 0.000 0.964 169 D CA 1.217 55.174 54.000 -0.072 0.000 0.877 169 D CB -0.011 40.801 40.800 0.021 0.000 0.924 169 D HN 0.078 nan 8.370 nan 0.000 0.515 170 L N -0.102 121.013 121.223 -0.180 0.000 2.513 170 L HA 0.380 4.720 4.340 -0.000 0.000 0.261 170 L C -1.231 175.506 176.870 -0.223 0.000 0.945 170 L CA -0.711 54.034 54.840 -0.158 0.000 0.848 170 L CB 2.176 44.166 42.059 -0.115 0.000 1.334 170 L HN -0.239 nan 8.230 nan 0.000 0.407 171 R N 4.237 124.623 120.500 -0.191 0.000 2.393 171 R HA 0.676 5.015 4.340 -0.000 0.000 0.315 171 R C -1.207 174.946 176.300 -0.246 0.000 0.952 171 R CA -0.736 55.238 56.100 -0.210 0.000 0.842 171 R CB 1.561 31.775 30.300 -0.144 0.000 1.163 171 R HN 0.441 nan 8.270 nan 0.000 0.450 172 L N 4.396 125.375 121.223 -0.407 0.000 2.288 172 L HA 0.423 4.762 4.340 -0.000 0.000 0.283 172 L C 0.450 177.183 176.870 -0.228 0.000 1.072 172 L CA -0.487 53.962 54.840 -0.652 0.000 0.862 172 L CB 0.505 41.517 42.059 -1.744 0.000 1.245 172 L HN 0.374 nan 8.230 nan 0.000 0.432 173 R N 1.578 122.120 120.500 0.069 0.000 2.490 173 R HA 0.473 4.813 4.340 -0.000 0.000 0.280 173 R C 0.917 177.443 176.300 0.375 0.000 1.077 173 R CA 0.591 56.800 56.100 0.180 0.000 1.065 173 R CB 1.089 31.447 30.300 0.096 0.000 1.003 173 R HN 0.861 nan 8.270 nan 0.000 0.470 174 G N 0.949 109.891 108.800 0.238 0.000 3.751 174 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 174 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 174 G C -0.347 174.489 174.900 -0.107 0.000 0.911 174 G CA -0.476 44.646 45.100 0.037 0.000 0.869 174 G HN 0.606 nan 8.290 nan 0.000 0.462 175 H N -0.166 118.991 119.070 0.145 0.000 2.544 175 H HA 0.673 5.229 4.556 -0.000 0.000 0.342 175 H C 1.048 176.403 175.328 0.045 0.000 1.185 175 H CA -0.229 55.870 56.048 0.084 0.000 1.264 175 H CB 2.072 31.901 29.762 0.112 0.000 1.607 175 H HN 0.050 nan 8.280 nan 0.000 0.550 176 Q N 0.177 120.087 119.800 0.183 0.000 2.394 176 Q HA 0.225 4.564 4.340 -0.000 0.000 0.218 176 Q C -0.207 175.835 176.000 0.069 0.000 0.907 176 Q CA 0.768 56.624 55.803 0.087 0.000 0.919 176 Q CB 0.828 29.591 28.738 0.043 0.000 1.051 176 Q HN 0.417 nan 8.270 nan 0.000 0.538 177 K N -0.013 120.431 120.400 0.073 0.000 2.279 177 K HA 0.300 4.620 4.320 -0.000 0.000 0.238 177 K C -0.586 176.005 176.600 -0.015 0.000 1.084 177 K CA -0.749 55.555 56.287 0.028 0.000 0.885 177 K CB 1.267 33.783 32.500 0.026 0.000 1.319 177 K HN 0.066 nan 8.250 nan 0.000 0.494 178 E N -0.501 119.679 120.200 -0.033 0.000 2.342 178 E HA 0.543 4.893 4.350 -0.000 0.000 0.257 178 E C -0.083 176.452 176.600 -0.108 0.000 1.150 178 E CA -0.873 55.476 56.400 -0.085 0.000 0.926 178 E CB 1.007 30.660 29.700 -0.079 0.000 1.074 178 E HN 0.624 nan 8.360 nan 0.000 0.449 179 G N -0.718 107.979 108.800 -0.171 0.000 2.606 179 G HA2 0.341 4.301 3.960 -0.000 0.000 0.300 179 G HA3 0.341 4.301 3.960 -0.000 0.000 0.300 179 G C -1.240 173.546 174.900 -0.190 0.000 1.360 179 G CA -0.586 44.453 45.100 -0.102 0.000 0.783 179 G HN 0.570 nan 8.290 nan 0.000 0.484 180 Y N -0.077 120.199 120.300 -0.039 0.000 2.652 180 Y HA 0.352 4.901 4.550 -0.001 0.000 0.275 180 Y C 2.142 178.037 175.900 -0.008 0.000 1.133 180 Y CA 0.343 58.433 58.100 -0.017 0.000 1.246 180 Y CB 0.423 38.883 38.460 -0.000 0.000 1.334 180 Y HN 0.724 nan 8.280 nan 0.000 0.493 181 G N 2.046 110.930 108.800 0.139 0.000 2.353 181 G HA2 0.330 4.289 3.960 -0.000 0.000 0.239 181 G HA3 0.330 4.289 3.960 -0.000 0.000 0.239 181 G C -0.798 174.125 174.900 0.039 0.000 1.295 181 G CA 0.211 45.358 45.100 0.079 0.000 0.884 181 G HN 0.187 nan 8.290 nan 0.000 0.537 182 L N 1.309 122.555 121.223 0.037 0.000 2.588 182 L HA 0.523 4.863 4.340 -0.000 0.000 0.263 182 L C -0.761 176.117 176.870 0.013 0.000 0.935 182 L CA -0.590 54.248 54.840 -0.003 0.000 0.891 182 L CB 2.303 44.363 42.059 0.002 0.000 1.318 182 L HN 0.671 nan 8.230 nan 0.000 0.409 183 S N 2.938 118.619 115.700 -0.031 0.000 2.649 183 S HA 0.523 4.993 4.470 -0.000 0.000 0.274 183 S C -1.671 173.067 174.600 0.229 0.000 1.176 183 S CA -0.434 57.838 58.200 0.119 0.000 0.988 183 S CB 0.850 64.139 63.200 0.148 0.000 1.071 183 S HN 0.461 nan 8.310 nan 0.000 0.478 184 W N 3.237 124.694 121.300 0.261 0.000 2.313 184 W HA 0.447 5.107 4.660 -0.001 0.000 0.328 184 W C 0.821 177.365 176.519 0.041 0.000 1.197 184 W CA -0.440 57.010 57.345 0.176 0.000 1.235 184 W CB 0.567 30.040 29.460 0.022 0.000 1.158 184 W HN 0.562 nan 8.180 nan 0.000 0.578 185 N N 1.365 120.006 118.700 -0.098 0.000 2.411 185 N HA -0.025 4.714 4.740 -0.000 0.000 0.259 185 N C 0.890 176.248 175.510 -0.253 0.000 1.103 185 N CA 0.185 52.838 53.050 -0.661 0.000 0.954 185 N CB 1.200 38.943 38.487 -1.239 0.000 1.085 185 N HN 0.484 nan 8.380 nan 0.000 0.485 186 S N 2.631 118.229 115.700 -0.169 0.000 2.607 186 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 186 S C 0.715 175.226 174.600 -0.148 0.000 0.969 186 S CA 0.264 58.395 58.200 -0.115 0.000 0.927 186 S CB 0.121 63.278 63.200 -0.072 0.000 0.772 186 S HN 0.553 nan 8.310 nan 0.000 0.533 187 N N 0.028 118.602 118.700 -0.209 0.000 2.382 187 N HA 0.254 4.994 4.740 -0.000 0.000 0.200 187 N C -0.865 174.501 175.510 -0.240 0.000 1.122 187 N CA 0.024 52.958 53.050 -0.193 0.000 0.870 187 N CB 0.354 38.740 38.487 -0.169 0.000 1.176 187 N HN 0.285 nan 8.380 nan 0.000 0.474 188 L N 1.764 122.778 121.223 -0.349 0.000 2.337 188 L HA 0.317 4.657 4.340 -0.000 0.000 0.269 188 L C -0.000 176.640 176.870 -0.384 0.000 1.018 188 L CA -0.552 54.015 54.840 -0.456 0.000 0.876 188 L CB 1.057 42.697 42.059 -0.698 0.000 1.236 188 L HN -0.155 nan 8.230 nan 0.000 0.436 189 S N 3.138 118.697 115.700 -0.235 0.000 2.544 189 S HA 0.411 4.881 4.470 -0.000 0.000 0.290 189 S C 1.296 175.924 174.600 0.048 0.000 1.276 189 S CA 0.844 58.984 58.200 -0.101 0.000 1.075 189 S CB -0.053 63.091 63.200 -0.093 0.000 0.849 189 S HN 1.250 nan 8.310 nan 0.000 0.494 190 G N 3.817 112.739 108.800 0.203 0.000 2.175 190 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.244 190 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.244 190 G C -0.041 175.217 174.900 0.597 0.000 0.982 190 G CA 0.135 45.490 45.100 0.425 0.000 0.641 190 G HN 0.849 nan 8.290 nan 0.000 0.527 191 H N -0.707 118.517 119.070 0.256 0.000 2.552 191 H HA 0.571 5.127 4.556 -0.000 0.000 0.311 191 H C -0.604 174.885 175.328 0.268 0.000 1.071 191 H CA -0.558 55.606 56.048 0.193 0.000 1.307 191 H CB 1.958 31.715 29.762 -0.008 0.000 1.416 191 H HN 0.214 nan 8.280 nan 0.000 0.464 192 L N 4.639 126.050 121.223 0.314 0.000 2.408 192 L HA 0.419 4.759 4.340 -0.000 0.000 0.268 192 L C -1.579 175.408 176.870 0.195 0.000 0.986 192 L CA -0.501 54.397 54.840 0.097 0.000 0.820 192 L CB 1.678 43.474 42.059 -0.439 0.000 1.303 192 L HN 0.506 nan 8.230 nan 0.000 0.411 193 L N 2.891 124.139 121.223 0.041 0.000 2.322 193 L HA 0.830 5.170 4.340 -0.000 0.000 0.269 193 L C -0.362 176.482 176.870 -0.044 0.000 1.012 193 L CA -0.598 54.116 54.840 -0.210 0.000 0.815 193 L CB 2.046 43.668 42.059 -0.727 0.000 1.295 193 L HN 0.685 nan 8.230 nan 0.000 0.438 194 S N 0.767 116.476 115.700 0.013 0.000 2.562 194 S HA 0.772 5.242 4.470 -0.000 0.000 0.274 194 S C -1.135 173.540 174.600 0.124 0.000 1.160 194 S CA -0.441 57.848 58.200 0.148 0.000 0.933 194 S CB 1.540 65.009 63.200 0.448 0.000 1.100 194 S HN 0.742 nan 8.310 nan 0.000 0.468 195 A N 2.684 125.521 122.820 0.030 0.000 2.295 195 A HA 0.925 5.245 4.320 -0.000 0.000 0.318 195 A C 0.232 177.758 177.584 -0.096 0.000 1.134 195 A CA -0.437 51.612 52.037 0.021 0.000 0.827 195 A CB 1.413 20.425 19.000 0.021 0.000 1.136 195 A HN 1.166 nan 8.150 nan 0.000 0.493 196 S N -0.977 114.687 115.700 -0.060 0.000 2.671 196 S HA 0.448 4.918 4.470 -0.000 0.000 0.277 196 S C -0.556 174.070 174.600 0.044 0.000 1.165 196 S CA -0.474 57.649 58.200 -0.129 0.000 0.822 196 S CB 1.273 64.256 63.200 -0.362 0.000 1.150 196 S HN 0.553 nan 8.310 nan 0.000 0.479 197 D N 1.192 121.626 120.400 0.056 0.000 2.363 197 D HA 0.054 4.694 4.640 -0.000 0.000 0.220 197 D C 0.678 177.092 176.300 0.191 0.000 0.994 197 D CA 0.686 54.762 54.000 0.128 0.000 0.890 197 D CB -0.161 40.696 40.800 0.095 0.000 0.906 197 D HN 0.682 nan 8.370 nan 0.000 0.530 198 D N -1.182 119.305 120.400 0.145 0.000 2.319 198 D HA -0.076 4.564 4.640 -0.000 0.000 0.230 198 D C 0.121 176.511 176.300 0.151 0.000 1.094 198 D CA -0.067 53.971 54.000 0.062 0.000 0.856 198 D CB -0.164 40.682 40.800 0.077 0.000 0.915 198 D HN 0.003 nan 8.370 nan 0.000 0.517 199 H N -1.786 117.339 119.070 0.092 0.000 3.642 199 H HA -0.156 4.400 4.556 -0.000 0.000 0.185 199 H C 0.223 175.638 175.328 0.146 0.000 0.992 199 H CA 0.762 56.876 56.048 0.110 0.000 1.216 199 H CB -2.549 27.278 29.762 0.109 0.000 1.055 199 H HN 0.541 nan 8.280 nan 0.000 0.351 200 T N -2.326 112.384 114.554 0.260 0.000 2.950 200 T HA 0.735 5.085 4.350 -0.000 0.000 0.288 200 T C 0.106 174.924 174.700 0.198 0.000 1.035 200 T CA -0.457 61.757 62.100 0.190 0.000 1.028 200 T CB 2.899 71.827 68.868 0.101 0.000 1.109 200 T HN 0.051 nan 8.240 nan 0.000 0.514 201 V N 1.210 121.183 119.914 0.098 0.000 2.443 201 V HA 0.399 4.519 4.120 -0.000 0.000 0.293 201 V C -0.003 176.042 176.094 -0.081 0.000 1.021 201 V CA -0.940 61.381 62.300 0.035 0.000 0.848 201 V CB 0.936 32.691 31.823 -0.113 0.000 0.998 201 V HN 1.192 nan 8.190 nan 0.000 0.424 202 C N 5.394 124.541 119.300 -0.256 0.000 2.351 202 C HA 0.791 5.251 4.460 -0.000 0.000 0.359 202 C C -0.043 174.494 174.990 -0.756 0.000 1.193 202 C CA -0.524 58.069 59.018 -0.708 0.000 2.270 202 C CB 1.189 28.140 27.740 -1.315 0.000 2.369 202 C HN 0.762 nan 8.230 nan 0.000 0.553 203 L N 2.652 123.354 121.223 -0.869 0.000 2.410 203 L HA 0.712 5.051 4.340 -0.000 0.000 0.270 203 L C -1.496 174.991 176.870 -0.638 0.000 0.983 203 L CA -0.324 54.201 54.840 -0.524 0.000 0.822 203 L CB 0.932 42.906 42.059 -0.142 0.000 1.285 203 L HN 0.729 nan 8.230 nan 0.000 0.409 204 W N 2.649 123.900 121.300 -0.082 0.000 2.864 204 W HA 0.373 5.033 4.660 -0.000 0.000 0.343 204 W C -0.970 175.462 176.519 -0.146 0.000 1.109 204 W CA -0.598 56.687 57.345 -0.101 0.000 1.192 204 W CB 2.165 31.572 29.460 -0.088 0.000 1.426 204 W HN 0.487 nan 8.180 nan 0.000 0.529 205 D N 2.415 122.852 120.400 0.062 0.000 2.438 205 D HA 0.186 4.826 4.640 -0.000 0.000 0.257 205 D C 0.901 177.266 176.300 0.108 0.000 1.148 205 D CA -0.425 53.544 54.000 -0.052 0.000 0.902 205 D CB 0.342 41.000 40.800 -0.238 0.000 1.062 205 D HN 0.358 nan 8.370 nan 0.000 0.518 206 I N -0.177 120.500 120.570 0.178 0.000 3.294 206 I HA 0.047 4.217 4.170 -0.000 0.000 0.287 206 I C -0.031 176.158 176.117 0.120 0.000 1.328 206 I CA 0.253 61.642 61.300 0.148 0.000 1.375 206 I CB -0.228 37.884 38.000 0.187 0.000 1.045 206 I HN -0.018 nan 8.210 nan 0.000 0.522 207 N N 2.004 120.779 118.700 0.124 0.000 2.558 207 N HA 0.455 5.195 4.740 -0.000 0.000 0.281 207 N C 0.150 175.703 175.510 0.071 0.000 1.219 207 N CA 0.380 53.487 53.050 0.095 0.000 0.942 207 N CB 0.993 39.547 38.487 0.112 0.000 1.241 207 N HN 0.659 nan 8.380 nan 0.000 0.511 208 A N -1.167 121.690 122.820 0.062 0.000 3.508 208 A HA 0.855 5.175 4.320 -0.000 0.000 0.169 208 A C 0.667 178.273 177.584 0.037 0.000 0.817 208 A CA 0.146 52.211 52.037 0.046 0.000 1.256 208 A CB -0.161 18.866 19.000 0.045 0.000 2.053 208 A HN 0.368 nan 8.150 nan 0.000 0.825 209 G N -0.471 108.351 108.800 0.036 0.000 2.601 209 G HA2 0.027 3.986 3.960 -0.000 0.000 0.252 209 G HA3 0.027 3.986 3.960 -0.000 0.000 0.252 209 G C -1.792 173.118 174.900 0.018 0.000 1.294 209 G CA 0.172 45.289 45.100 0.027 0.000 0.912 209 G HN 0.932 nan 8.290 nan 0.000 0.574 210 P HA 0.425 nan 4.420 nan 0.000 0.337 210 P C 0.737 178.041 177.300 0.006 0.000 1.340 210 P CA -0.191 62.913 63.100 0.007 0.000 0.764 210 P CB 0.350 32.051 31.700 0.002 0.000 1.718 211 K N -0.926 119.476 120.400 0.003 0.000 2.374 211 K HA 0.140 4.460 4.320 -0.000 0.000 0.202 211 K C 0.440 177.040 176.600 -0.001 0.000 1.040 211 K CA 0.392 56.681 56.287 0.003 0.000 1.085 211 K CB 0.888 33.389 32.500 0.002 0.000 0.873 211 K HN 0.481 nan 8.250 nan 0.000 0.539 212 E N -0.406 119.793 120.200 -0.003 0.000 2.749 212 E HA 0.088 4.438 4.350 -0.000 0.000 0.157 212 E C -0.358 176.236 176.600 -0.009 0.000 0.887 212 E CA -0.172 56.224 56.400 -0.006 0.000 1.369 212 E CB 0.695 30.391 29.700 -0.007 0.000 1.005 212 E HN 0.157 nan 8.360 nan 0.000 0.469 213 G N 1.028 109.823 108.800 -0.008 0.000 2.332 213 G HA2 0.180 4.140 3.960 -0.000 0.000 0.310 213 G HA3 0.180 4.140 3.960 -0.000 0.000 0.310 213 G C 0.560 175.448 174.900 -0.019 0.000 1.123 213 G CA -0.392 44.700 45.100 -0.012 0.000 0.873 213 G HN -0.064 nan 8.290 nan 0.000 0.460 214 K N 1.580 121.963 120.400 -0.029 0.000 2.487 214 K HA 0.143 4.462 4.320 -0.000 0.000 0.192 214 K C 0.680 177.246 176.600 -0.056 0.000 1.027 214 K CA 0.260 56.521 56.287 -0.044 0.000 1.054 214 K CB 0.117 32.586 32.500 -0.052 0.000 0.824 214 K HN 0.495 nan 8.250 nan 0.000 0.510 215 I N 0.529 121.075 120.570 -0.040 0.000 2.460 215 I HA 0.241 4.411 4.170 -0.000 0.000 0.298 215 I C -0.532 175.575 176.117 -0.017 0.000 0.989 215 I CA -1.158 60.118 61.300 -0.039 0.000 1.173 215 I CB 2.196 40.181 38.000 -0.025 0.000 1.338 215 I HN -0.353 nan 8.210 nan 0.000 0.456 216 V N 5.196 125.103 119.914 -0.012 0.000 2.733 216 V HA 0.443 4.563 4.120 -0.000 0.000 0.306 216 V C -1.216 174.970 176.094 0.154 0.000 1.084 216 V CA -0.475 61.855 62.300 0.050 0.000 0.905 216 V CB 2.163 34.016 31.823 0.049 0.000 1.010 216 V HN 0.664 nan 8.190 nan 0.000 0.424 217 D N 4.423 124.924 120.400 0.168 0.000 2.312 217 D HA 0.550 5.189 4.640 -0.000 0.000 0.248 217 D C 0.450 176.876 176.300 0.210 0.000 1.086 217 D CA 0.254 54.371 54.000 0.196 0.000 0.948 217 D CB 2.069 42.908 40.800 0.066 0.000 1.162 217 D HN 0.990 nan 8.370 nan 0.000 0.446 218 A N 1.273 124.094 122.820 0.001 0.000 2.511 218 A HA -0.043 4.277 4.320 -0.000 0.000 0.242 218 A C 1.275 178.657 177.584 -0.336 0.000 1.069 218 A CA 0.117 51.808 52.037 -0.576 0.000 0.763 218 A CB 0.278 18.799 19.000 -0.798 0.000 1.001 218 A HN 0.609 nan 8.150 nan 0.000 0.498 219 K N 0.622 120.814 120.400 -0.346 0.000 2.305 219 K HA 0.287 4.607 4.320 -0.000 0.000 0.199 219 K C 0.231 176.684 176.600 -0.246 0.000 1.047 219 K CA 1.175 57.337 56.287 -0.208 0.000 0.976 219 K CB -0.004 32.407 32.500 -0.147 0.000 0.765 219 K HN 0.946 nan 8.250 nan 0.000 0.474 220 A N 0.884 123.487 122.820 -0.363 0.000 2.547 220 A HA 0.416 4.735 4.320 -0.000 0.000 0.298 220 A C -1.363 175.857 177.584 -0.605 0.000 1.062 220 A CA -0.772 50.983 52.037 -0.471 0.000 0.748 220 A CB 0.773 19.491 19.000 -0.470 0.000 1.288 220 A HN 0.128 nan 8.150 nan 0.000 0.396 221 I N 2.118 122.321 120.570 -0.612 0.000 2.378 221 I HA 0.456 4.626 4.170 -0.000 0.000 0.291 221 I C -1.102 174.679 176.117 -0.561 0.000 0.992 221 I CA -0.401 60.604 61.300 -0.491 0.000 1.154 221 I CB 1.406 39.200 38.000 -0.342 0.000 1.315 221 I HN 0.574 nan 8.210 nan 0.000 0.448 222 F N 3.269 123.038 119.950 -0.303 0.000 2.415 222 F HA 0.302 4.829 4.527 -0.000 0.000 0.348 222 F C 1.151 176.832 175.800 -0.199 0.000 1.119 222 F CA -0.542 57.238 58.000 -0.367 0.000 1.069 222 F CB 1.638 40.129 39.000 -0.849 0.000 1.124 222 F HN 0.445 nan 8.300 nan 0.000 0.472 223 T N -2.136 112.475 114.554 0.095 0.000 3.252 223 T HA 0.191 4.541 4.350 -0.000 0.000 0.286 223 T C 1.604 176.448 174.700 0.240 0.000 1.013 223 T CA 0.103 62.295 62.100 0.153 0.000 0.914 223 T CB 0.315 69.236 68.868 0.089 0.000 1.131 223 T HN 0.706 nan 8.240 nan 0.000 0.529 224 G N 0.684 109.727 108.800 0.404 0.000 2.498 224 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.219 224 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.219 224 G C 0.353 175.322 174.900 0.115 0.000 1.119 224 G CA 0.247 45.558 45.100 0.352 0.000 0.766 224 G HN 0.631 nan 8.290 nan 0.000 0.552 225 H N -0.848 118.378 119.070 0.261 0.000 2.481 225 H HA 0.367 4.922 4.556 -0.000 0.000 0.339 225 H C 1.348 176.725 175.328 0.081 0.000 1.131 225 H CA 0.238 56.372 56.048 0.143 0.000 1.301 225 H CB 1.784 31.619 29.762 0.121 0.000 1.476 225 H HN 0.162 nan 8.280 nan 0.000 0.529 226 S N 1.147 116.932 115.700 0.142 0.000 2.502 226 S HA 0.398 4.868 4.470 -0.000 0.000 0.215 226 S C 0.781 175.222 174.600 -0.265 0.000 1.009 226 S CA 0.107 58.334 58.200 0.045 0.000 0.908 226 S CB 0.588 63.820 63.200 0.053 0.000 0.801 226 S HN 0.618 nan 8.310 nan 0.000 0.505 227 A N 1.052 123.626 122.820 -0.411 0.000 2.464 227 A HA 0.783 5.103 4.320 -0.000 0.000 0.268 227 A C -0.475 176.693 177.584 -0.694 0.000 1.244 227 A CA -0.694 50.921 52.037 -0.703 0.000 0.871 227 A CB 0.520 19.371 19.000 -0.248 0.000 1.400 227 A HN 0.288 nan 8.150 nan 0.000 0.455 228 V N 1.196 120.918 119.914 -0.320 0.000 2.458 228 V HA 0.147 4.267 4.120 -0.000 0.000 0.287 228 V C 0.464 176.496 176.094 -0.103 0.000 1.009 228 V CA 0.301 62.573 62.300 -0.046 0.000 1.091 228 V CB 0.682 32.534 31.823 0.049 0.000 0.960 228 V HN 0.677 nan 8.190 nan 0.000 0.476 229 V N 6.544 126.405 119.914 -0.087 0.000 2.427 229 V HA 0.219 4.339 4.120 -0.000 0.000 0.268 229 V C 1.272 177.326 176.094 -0.067 0.000 1.046 229 V CA 0.059 62.248 62.300 -0.185 0.000 0.970 229 V CB 1.064 32.783 31.823 -0.173 0.000 1.001 229 V HN 0.954 nan 8.190 nan 0.000 0.476 230 E N 4.149 124.303 120.200 -0.076 0.000 2.033 230 E HA 0.059 4.408 4.350 -0.000 0.000 0.189 230 E C 0.087 176.705 176.600 0.029 0.000 0.979 230 E CA 0.918 57.314 56.400 -0.006 0.000 0.802 230 E CB 0.306 29.985 29.700 -0.035 0.000 0.763 230 E HN 0.885 nan 8.360 nan 0.000 0.449 231 D N -0.902 119.504 120.400 0.011 0.000 2.581 231 D HA 0.391 5.031 4.640 -0.000 0.000 0.232 231 D C -1.658 174.673 176.300 0.053 0.000 1.143 231 D CA -0.737 53.288 54.000 0.041 0.000 0.881 231 D CB 2.540 43.363 40.800 0.039 0.000 1.500 231 D HN -0.161 nan 8.370 nan 0.000 0.458 232 V N 0.647 120.595 119.914 0.056 0.000 2.971 232 V HA 0.926 5.046 4.120 -0.000 0.000 0.309 232 V C -1.709 174.428 176.094 0.072 0.000 1.130 232 V CA -0.250 62.081 62.300 0.051 0.000 0.964 232 V CB 1.687 33.463 31.823 -0.077 0.000 1.029 232 V HN 0.833 nan 8.190 nan 0.000 0.427 233 A N 4.882 127.793 122.820 0.152 0.000 2.465 233 A HA 0.669 4.989 4.320 -0.000 0.000 0.292 233 A C -1.427 176.326 177.584 0.282 0.000 1.041 233 A CA -0.572 51.622 52.037 0.261 0.000 0.718 233 A CB 0.733 19.996 19.000 0.437 0.000 1.266 233 A HN 0.885 nan 8.150 nan 0.000 0.403 234 W N 2.053 123.454 121.300 0.168 0.000 2.137 234 W HA 0.243 4.903 4.660 -0.001 0.000 0.344 234 W C 1.213 177.606 176.519 -0.209 0.000 1.286 234 W CA 0.718 58.107 57.345 0.073 0.000 1.240 234 W CB 0.398 29.886 29.460 0.047 0.000 1.141 234 W HN 0.682 nan 8.180 nan 0.000 0.579 235 H N 2.512 121.479 119.070 -0.172 0.000 2.790 235 H HA 0.037 4.593 4.556 -0.000 0.000 0.358 235 H C 0.757 175.958 175.328 -0.211 0.000 1.103 235 H CA 0.703 56.387 56.048 -0.606 0.000 1.426 235 H CB 0.973 30.518 29.762 -0.361 0.000 1.424 235 H HN 0.466 nan 8.280 nan 0.000 0.599 236 L N 4.356 125.332 121.223 -0.412 0.000 2.567 236 L HA 0.022 4.362 4.340 -0.000 0.000 0.225 236 L C 1.546 178.348 176.870 -0.114 0.000 1.119 236 L CA 0.308 55.037 54.840 -0.185 0.000 0.871 236 L CB 0.279 42.212 42.059 -0.209 0.000 1.036 236 L HN 0.561 nan 8.230 nan 0.000 0.459 237 L N -2.548 118.710 121.223 0.059 0.000 2.678 237 L HA 0.206 4.545 4.340 -0.000 0.000 0.211 237 L C 0.380 177.139 176.870 -0.184 0.000 1.043 237 L CA -0.208 54.573 54.840 -0.098 0.000 0.881 237 L CB 0.388 42.306 42.059 -0.235 0.000 1.361 237 L HN 0.124 nan 8.230 nan 0.000 0.484 238 H N 1.787 120.883 119.070 0.043 0.000 2.652 238 H HA 0.099 4.655 4.556 -0.000 0.000 0.298 238 H C 0.328 175.635 175.328 -0.034 0.000 1.076 238 H CA -0.102 55.865 56.048 -0.135 0.000 1.360 238 H CB 1.088 30.631 29.762 -0.365 0.000 1.421 238 H HN 0.352 nan 8.280 nan 0.000 0.464 239 E N 1.026 121.266 120.200 0.066 0.000 2.338 239 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 239 E C 0.607 177.270 176.600 0.104 0.000 1.007 239 E CA 0.759 57.154 56.400 -0.009 0.000 0.849 239 E CB 0.183 29.824 29.700 -0.099 0.000 0.774 239 E HN 0.222 nan 8.360 nan 0.000 0.506 240 S N 0.467 116.280 115.700 0.188 0.000 2.486 240 S HA 0.175 4.645 4.470 -0.000 0.000 0.220 240 S C 0.800 175.637 174.600 0.395 0.000 1.011 240 S CA -0.184 58.193 58.200 0.295 0.000 0.921 240 S CB 0.145 63.443 63.200 0.164 0.000 0.785 240 S HN 0.134 nan 8.310 nan 0.000 0.517 241 L N 2.576 123.968 121.223 0.281 0.000 2.350 241 L HA 0.513 4.853 4.340 -0.000 0.000 0.275 241 L C -0.571 176.504 176.870 0.343 0.000 1.099 241 L CA -0.562 54.381 54.840 0.172 0.000 0.808 241 L CB 0.790 42.826 42.059 -0.038 0.000 1.149 241 L HN 0.320 nan 8.230 nan 0.000 0.442 242 F N 0.294 120.279 119.950 0.058 0.000 2.665 242 F HA 0.778 5.304 4.527 -0.000 0.000 0.308 242 F C -0.392 175.509 175.800 0.168 0.000 1.112 242 F CA -0.818 57.160 58.000 -0.036 0.000 0.972 242 F CB 1.167 39.844 39.000 -0.537 0.000 1.295 242 F HN 0.384 nan 8.300 nan 0.000 0.440 243 G N 0.977 110.089 108.800 0.520 0.000 2.420 243 G HA2 0.610 4.569 3.960 -0.000 0.000 0.331 243 G HA3 0.610 4.569 3.960 -0.000 0.000 0.331 243 G C -1.454 173.702 174.900 0.428 0.000 1.168 243 G CA -0.618 44.744 45.100 0.437 0.000 0.936 243 G HN 1.112 nan 8.290 nan 0.000 0.479 244 S N -0.882 115.063 115.700 0.408 0.000 2.599 244 S HA 0.825 5.295 4.470 -0.000 0.000 0.294 244 S C -1.157 173.630 174.600 0.312 0.000 1.094 244 S CA -0.876 57.558 58.200 0.391 0.000 0.931 244 S CB 2.330 65.872 63.200 0.569 0.000 1.093 244 S HN 0.785 nan 8.310 nan 0.000 0.488 245 V N 0.613 120.607 119.914 0.132 0.000 2.777 245 V HA 0.868 4.988 4.120 -0.000 0.000 0.306 245 V C -0.241 175.738 176.094 -0.192 0.000 1.112 245 V CA 0.063 62.372 62.300 0.016 0.000 0.917 245 V CB 1.568 33.406 31.823 0.025 0.000 1.018 245 V HN 1.459 nan 8.190 nan 0.000 0.426 246 A N 3.013 125.687 122.820 -0.244 0.000 2.552 246 A HA 0.730 5.050 4.320 -0.000 0.000 0.288 246 A C 0.026 177.526 177.584 -0.139 0.000 1.193 246 A CA -0.348 51.498 52.037 -0.319 0.000 0.713 246 A CB 1.300 19.882 19.000 -0.698 0.000 1.305 246 A HN 0.642 nan 8.150 nan 0.000 0.424 247 D N 0.295 120.620 120.400 -0.126 0.000 2.363 247 D HA -0.016 4.624 4.640 -0.000 0.000 0.220 247 D C 0.657 176.931 176.300 -0.042 0.000 0.994 247 D CA 1.421 55.377 54.000 -0.074 0.000 0.890 247 D CB -0.018 40.743 40.800 -0.065 0.000 0.906 247 D HN 0.609 nan 8.370 nan 0.000 0.530 248 D N -0.198 120.185 120.400 -0.028 0.000 2.363 248 D HA -0.096 4.543 4.640 -0.000 0.000 0.226 248 D C 0.406 176.728 176.300 0.036 0.000 1.020 248 D CA 0.207 54.216 54.000 0.015 0.000 0.892 248 D CB -0.235 40.597 40.800 0.054 0.000 0.900 248 D HN 0.098 nan 8.370 nan 0.000 0.531 249 Q N -2.303 117.517 119.800 0.035 0.000 2.431 249 Q HA -0.183 4.156 4.340 -0.000 0.000 0.230 249 Q C -0.658 175.386 176.000 0.073 0.000 0.701 249 Q CA 0.851 56.691 55.803 0.062 0.000 1.290 249 Q CB -1.604 27.171 28.738 0.061 0.000 1.362 249 Q HN 0.226 nan 8.270 nan 0.000 0.762 250 K N 0.678 121.125 120.400 0.078 0.000 2.182 250 K HA 0.618 4.938 4.320 -0.000 0.000 0.262 250 K C -0.531 176.119 176.600 0.083 0.000 0.957 250 K CA -0.579 55.743 56.287 0.059 0.000 0.842 250 K CB 1.627 34.165 32.500 0.063 0.000 1.099 250 K HN 0.108 nan 8.250 nan 0.000 0.438 254 W N 3.789 124.683 121.300 -0.677 0.000 2.736 254 W HA 0.688 5.348 4.660 -0.001 0.000 0.355 254 W C -0.603 175.585 176.519 -0.551 0.000 1.102 254 W CA -0.257 56.614 57.345 -0.790 0.000 1.164 254 W CB 0.970 29.482 29.460 -1.580 0.000 1.422 254 W HN 0.203 nan 8.180 nan 0.000 0.572 255 D N -0.246 120.147 120.400 -0.010 0.000 2.788 255 D HA 0.171 4.811 4.640 -0.000 0.000 0.247 255 D C 0.816 177.265 176.300 0.250 0.000 1.236 255 D CA -0.229 53.823 54.000 0.086 0.000 0.898 255 D CB 2.005 42.829 40.800 0.040 0.000 1.401 255 D HN 0.455 nan 8.370 nan 0.000 0.549 256 T N 0.904 115.654 114.554 0.327 0.000 2.985 256 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 256 T C 1.555 176.420 174.700 0.275 0.000 1.076 256 T CA 0.542 62.886 62.100 0.408 0.000 1.135 256 T CB 0.023 69.182 68.868 0.484 0.000 0.890 256 T HN 0.489 nan 8.240 nan 0.000 0.480 257 R N 1.416 122.034 120.500 0.198 0.000 2.276 257 R HA 0.235 4.575 4.340 -0.000 0.000 0.196 257 R C 1.175 177.541 176.300 0.111 0.000 0.961 257 R CA 0.147 56.328 56.100 0.135 0.000 1.024 257 R CB -0.265 30.095 30.300 0.099 0.000 0.940 257 R HN 0.300 nan 8.270 nan 0.000 0.480 258 S N 1.545 117.322 115.700 0.129 0.000 2.531 258 S HA 0.082 4.552 4.470 -0.000 0.000 0.279 258 S C 0.267 174.938 174.600 0.118 0.000 1.305 258 S CA -0.631 57.634 58.200 0.108 0.000 1.058 258 S CB 0.603 63.868 63.200 0.109 0.000 0.899 258 S HN 0.261 nan 8.310 nan 0.000 0.493 259 N N 3.556 122.303 118.700 0.077 0.000 2.484 259 N HA 0.098 4.838 4.740 -0.000 0.000 0.245 259 N C -0.538 175.002 175.510 0.051 0.000 1.184 259 N CA 0.192 53.276 53.050 0.056 0.000 0.884 259 N CB 0.263 38.770 38.487 0.033 0.000 1.182 259 N HN 0.566 nan 8.380 nan 0.000 0.493 260 T N -0.910 113.698 114.554 0.090 0.000 2.881 260 T HA 0.271 4.621 4.350 -0.000 0.000 0.290 260 T C 0.484 175.286 174.700 0.169 0.000 1.000 260 T CA -0.562 61.593 62.100 0.093 0.000 0.978 260 T CB 0.876 69.795 68.868 0.085 0.000 0.997 260 T HN 0.167 nan 8.240 nan 0.000 0.443 261 T N 0.452 115.056 114.554 0.083 0.000 3.248 261 T HA 0.291 4.641 4.350 -0.000 0.000 0.271 261 T C 1.074 175.884 174.700 0.184 0.000 1.005 261 T CA 0.186 62.305 62.100 0.031 0.000 0.902 261 T CB -0.229 68.410 68.868 -0.381 0.000 1.102 261 T HN 0.530 nan 8.240 nan 0.000 0.548 262 S N -0.613 115.254 115.700 0.278 0.000 2.744 262 S HA 0.394 4.864 4.470 -0.000 0.000 0.265 262 S C 0.050 174.787 174.600 0.228 0.000 1.065 262 S CA -0.628 57.721 58.200 0.248 0.000 1.191 262 S CB 0.237 63.504 63.200 0.112 0.000 1.150 262 S HN 0.323 nan 8.310 nan 0.000 0.646 263 K N 2.854 123.362 120.400 0.181 0.000 2.578 263 K HA 0.482 4.802 4.320 -0.000 0.000 0.250 263 K C -3.109 173.319 176.600 -0.287 0.000 0.955 263 K CA -1.787 54.461 56.287 -0.065 0.000 0.825 263 K CB 2.551 35.021 32.500 -0.051 0.000 1.151 263 K HN 0.160 nan 8.250 nan 0.000 0.432 264 P HA 0.126 nan 4.420 nan 0.000 0.274 264 P C 0.134 177.135 177.300 -0.499 0.000 1.246 264 P CA -0.297 62.115 63.100 -1.147 0.000 0.795 264 P CB 1.180 31.845 31.700 -1.725 0.000 1.006 265 S N -0.414 115.076 115.700 -0.350 0.000 2.399 265 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 265 S C 0.385 175.115 174.600 0.218 0.000 1.022 265 S CA 1.374 59.552 58.200 -0.037 0.000 0.983 265 S CB -0.568 62.622 63.200 -0.017 0.000 0.803 265 S HN 0.611 nan 8.310 nan 0.000 0.480 266 H N -1.434 117.430 119.070 -0.343 0.000 2.895 266 H HA 0.713 5.269 4.556 -0.000 0.000 0.373 266 H C -0.909 174.217 175.328 -0.338 0.000 1.174 266 H CA -0.869 55.014 56.048 -0.275 0.000 1.144 266 H CB 1.258 30.898 29.762 -0.203 0.000 1.793 266 H HN 0.066 nan 8.280 nan 0.000 0.551 267 L N 1.920 123.039 121.223 -0.173 0.000 2.436 267 L HA 0.713 5.053 4.340 -0.000 0.000 0.268 267 L C -1.539 175.222 176.870 -0.182 0.000 0.974 267 L CA -0.823 53.894 54.840 -0.205 0.000 0.826 267 L CB 1.501 43.439 42.059 -0.201 0.000 1.291 267 L HN 0.454 nan 8.230 nan 0.000 0.406 268 V N 2.525 122.315 119.914 -0.206 0.000 2.569 268 V HA 0.274 4.393 4.120 -0.000 0.000 0.301 268 V C -0.765 175.224 176.094 -0.175 0.000 1.044 268 V CA -0.673 61.480 62.300 -0.245 0.000 0.874 268 V CB 1.670 33.188 31.823 -0.509 0.000 1.002 268 V HN 0.667 nan 8.190 nan 0.000 0.424 269 D N 3.506 123.848 120.400 -0.097 0.000 2.498 269 D HA 0.352 4.992 4.640 -0.000 0.000 0.229 269 D C 1.009 177.304 176.300 -0.009 0.000 1.188 269 D CA 0.520 54.500 54.000 -0.034 0.000 1.028 269 D CB 1.369 42.165 40.800 -0.007 0.000 1.087 269 D HN 0.681 nan 8.370 nan 0.000 0.510 270 A N 3.592 126.393 122.820 -0.032 0.000 1.930 270 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 270 A C 0.486 177.992 177.584 -0.130 0.000 1.176 270 A CA 1.088 53.130 52.037 0.009 0.000 0.632 270 A CB -0.030 18.962 19.000 -0.014 0.000 0.819 270 A HN 0.647 nan 8.150 nan 0.000 0.445 271 H N -3.636 115.510 119.070 0.127 0.000 2.949 271 H HA 0.379 4.935 4.556 -0.000 0.000 0.356 271 H C 0.973 176.328 175.328 0.045 0.000 1.212 271 H CA 0.102 56.202 56.048 0.087 0.000 1.136 271 H CB 1.438 31.238 29.762 0.063 0.000 1.869 271 H HN 0.086 nan 8.280 nan 0.000 0.556 272 T N -1.817 112.844 114.554 0.179 0.000 3.081 272 T HA 0.500 4.850 4.350 -0.000 0.000 0.255 272 T C 0.754 175.494 174.700 0.067 0.000 1.113 272 T CA 0.474 62.629 62.100 0.091 0.000 1.082 272 T CB 0.141 69.048 68.868 0.065 0.000 0.939 272 T HN 0.531 nan 8.240 nan 0.000 0.506 273 A N 1.554 124.417 122.820 0.073 0.000 2.475 273 A HA 0.647 4.967 4.320 -0.000 0.000 0.281 273 A C -0.452 177.132 177.584 0.000 0.000 1.263 273 A CA -1.067 50.980 52.037 0.016 0.000 0.776 273 A CB 0.869 19.856 19.000 -0.022 0.000 1.347 273 A HN 0.386 nan 8.150 nan 0.000 0.443 274 E N 0.465 120.639 120.200 -0.043 0.000 2.437 274 E HA 0.250 4.600 4.350 -0.000 0.000 0.263 274 E C -0.765 175.761 176.600 -0.123 0.000 1.030 274 E CA -0.052 56.308 56.400 -0.066 0.000 0.934 274 E CB 0.221 29.873 29.700 -0.079 0.000 0.943 274 E HN 0.251 nan 8.360 nan 0.000 0.444 275 V N 2.924 122.783 119.914 -0.090 0.000 2.394 275 V HA 0.086 4.205 4.120 -0.000 0.000 0.282 275 V C 0.705 176.708 176.094 -0.152 0.000 1.031 275 V CA -0.751 61.480 62.300 -0.115 0.000 0.881 275 V CB 1.104 32.947 31.823 0.033 0.000 0.982 275 V HN 0.604 nan 8.190 nan 0.000 0.451 276 N N 2.040 120.604 118.700 -0.228 0.000 2.368 276 N HA 0.148 4.887 4.740 -0.000 0.000 0.178 276 N C 0.138 175.579 175.510 -0.116 0.000 1.076 276 N CA 0.641 53.548 53.050 -0.238 0.000 0.889 276 N CB 0.667 38.821 38.487 -0.554 0.000 1.040 276 N HN 0.854 nan 8.380 nan 0.000 0.463 277 C N -0.265 118.980 119.300 -0.093 0.000 3.285 277 C HA 0.834 5.294 4.460 -0.000 0.000 0.325 277 C C -0.957 174.023 174.990 -0.016 0.000 1.304 277 C CA -1.646 57.344 59.018 -0.046 0.000 1.319 277 C CB 0.720 28.419 27.740 -0.068 0.000 1.640 277 C HN 0.218 nan 8.230 nan 0.000 0.477 278 L N -0.346 120.876 121.223 -0.002 0.000 2.518 278 L HA 0.960 5.300 4.340 -0.000 0.000 0.257 278 L C -0.792 176.094 176.870 0.026 0.000 0.980 278 L CA -0.229 54.617 54.840 0.010 0.000 0.837 278 L CB 1.929 43.986 42.059 -0.003 0.000 1.410 278 L HN 1.032 nan 8.230 nan 0.000 0.410 279 S N 1.358 117.088 115.700 0.050 0.000 2.649 279 S HA 0.661 5.131 4.470 -0.000 0.000 0.274 279 S C -1.240 173.593 174.600 0.387 0.000 1.176 279 S CA -0.410 57.926 58.200 0.228 0.000 0.988 279 S CB 0.689 64.015 63.200 0.210 0.000 1.071 279 S HN 0.506 nan 8.310 nan 0.000 0.478 280 F N 3.909 124.058 119.950 0.331 0.000 2.443 280 F HA 0.350 4.876 4.527 -0.001 0.000 0.353 280 F C 1.304 177.032 175.800 -0.121 0.000 1.101 280 F CA -0.344 57.736 58.000 0.132 0.000 1.226 280 F CB 0.647 39.607 39.000 -0.066 0.000 1.140 280 F HN 0.554 nan 8.300 nan 0.000 0.557 281 N N 5.273 123.688 118.700 -0.475 0.000 2.483 281 N HA 0.028 4.768 4.740 -0.000 0.000 0.264 281 N C -1.702 173.531 175.510 -0.462 0.000 1.197 281 N CA -1.129 51.267 53.050 -1.091 0.000 0.927 281 N CB 1.242 38.936 38.487 -1.321 0.000 1.065 281 N HN 0.252 nan 8.380 nan 0.000 0.461 282 P HA -0.025 nan 4.420 nan 0.000 0.241 282 P C 0.130 177.100 177.300 -0.549 0.000 1.191 282 P CA 1.020 63.873 63.100 -0.413 0.000 0.771 282 P CB 0.071 31.497 31.700 -0.457 0.000 0.929 283 Y N -1.235 118.914 120.300 -0.251 0.000 2.535 283 Y HA 0.252 4.802 4.550 -0.001 0.000 0.264 283 Y C 1.374 177.164 175.900 -0.183 0.000 1.087 283 Y CA -0.008 57.978 58.100 -0.190 0.000 1.285 283 Y CB 0.427 38.790 38.460 -0.162 0.000 1.200 283 Y HN -0.156 nan 8.280 nan 0.000 0.514 284 S N 0.996 116.641 115.700 -0.092 0.000 2.449 284 S HA 0.129 4.599 4.470 -0.000 0.000 0.310 284 S C 0.683 175.179 174.600 -0.173 0.000 1.096 284 S CA -0.665 57.476 58.200 -0.098 0.000 1.095 284 S CB 0.676 63.855 63.200 -0.035 0.000 1.007 284 S HN 0.504 nan 8.310 nan 0.000 0.474 285 E N 3.750 123.761 120.200 -0.315 0.000 2.516 285 E HA -0.042 4.307 4.350 -0.000 0.000 0.199 285 E C 0.259 176.723 176.600 -0.226 0.000 1.069 285 E CA 0.931 57.135 56.400 -0.326 0.000 0.876 285 E CB -0.184 29.193 29.700 -0.537 0.000 0.843 285 E HN 0.782 nan 8.360 nan 0.000 0.530 286 F N 0.655 120.725 119.950 0.200 0.000 2.637 286 F HA 0.333 4.860 4.527 -0.000 0.000 0.284 286 F C 1.193 177.115 175.800 0.205 0.000 1.105 286 F CA -0.723 57.406 58.000 0.215 0.000 1.356 286 F CB 0.543 39.634 39.000 0.153 0.000 1.096 286 F HN -0.143 nan 8.300 nan 0.000 0.616 287 I N 2.357 123.087 120.570 0.267 0.000 2.519 287 I HA 0.224 4.393 4.170 -0.000 0.000 0.287 287 I C -0.364 175.859 176.117 0.178 0.000 1.047 287 I CA -0.161 61.256 61.300 0.194 0.000 1.381 287 I CB 1.406 39.439 38.000 0.055 0.000 1.417 287 I HN 0.042 nan 8.210 nan 0.000 0.540 288 L N 4.727 126.132 121.223 0.304 0.000 2.415 288 L HA 0.810 5.150 4.340 -0.000 0.000 0.256 288 L C -1.163 176.014 176.870 0.511 0.000 1.010 288 L CA -0.565 54.443 54.840 0.280 0.000 0.826 288 L CB 2.217 44.324 42.059 0.081 0.000 1.405 288 L HN 0.713 nan 8.230 nan 0.000 0.410 289 A N 0.991 124.084 122.820 0.456 0.000 2.454 289 A HA 0.892 5.211 4.320 -0.000 0.000 0.302 289 A C -1.072 176.663 177.584 0.251 0.000 1.079 289 A CA -0.429 51.803 52.037 0.324 0.000 0.731 289 A CB 2.141 21.161 19.000 0.033 0.000 1.299 289 A HN 0.557 nan 8.150 nan 0.000 0.413 290 T N 0.407 115.127 114.554 0.276 0.000 3.071 290 T HA 0.617 4.967 4.350 -0.000 0.000 0.311 290 T C -0.125 174.695 174.700 0.200 0.000 1.042 290 T CA 0.002 62.282 62.100 0.299 0.000 1.028 290 T CB 1.627 70.853 68.868 0.596 0.000 1.068 290 T HN 1.263 nan 8.240 nan 0.000 0.451 291 G N 1.140 109.957 108.800 0.029 0.000 2.388 291 G HA2 0.646 4.606 3.960 -0.000 0.000 0.330 291 G HA3 0.646 4.606 3.960 -0.000 0.000 0.330 291 G C -0.715 174.009 174.900 -0.294 0.000 1.142 291 G CA -0.420 44.615 45.100 -0.109 0.000 0.908 291 G HN 0.695 nan 8.290 nan 0.000 0.473 292 S N -0.069 115.362 115.700 -0.448 0.000 2.704 292 S HA 0.640 5.110 4.470 -0.000 0.000 0.296 292 S C 1.206 175.563 174.600 -0.405 0.000 1.138 292 S CA 0.262 58.119 58.200 -0.573 0.000 0.875 292 S CB 1.589 64.093 63.200 -1.160 0.000 1.151 292 S HN 1.246 nan 8.310 nan 0.000 0.500 293 A N 0.752 123.369 122.820 -0.339 0.000 2.167 293 A HA 0.096 4.416 4.320 -0.000 0.000 0.214 293 A C 1.019 178.520 177.584 -0.140 0.000 1.151 293 A CA 1.434 53.322 52.037 -0.248 0.000 0.735 293 A CB -0.838 18.044 19.000 -0.195 0.000 0.802 293 A HN 0.878 nan 8.150 nan 0.000 0.467 294 D N -1.491 118.832 120.400 -0.128 0.000 2.328 294 D HA 0.060 4.699 4.640 -0.000 0.000 0.226 294 D C 0.497 176.788 176.300 -0.016 0.000 1.066 294 D CA 0.188 54.164 54.000 -0.040 0.000 0.861 294 D CB -0.317 40.494 40.800 0.017 0.000 0.912 294 D HN 0.395 nan 8.370 nan 0.000 0.521 295 K N -1.429 118.945 120.400 -0.044 0.000 3.434 295 K HA -0.134 4.186 4.320 -0.000 0.000 0.303 295 K C -0.394 176.259 176.600 0.088 0.000 1.351 295 K CA 1.106 57.412 56.287 0.031 0.000 0.900 295 K CB -2.692 29.851 32.500 0.073 0.000 1.385 295 K HN 0.553 nan 8.250 nan 0.000 0.477 296 T N -2.722 111.851 114.554 0.032 0.000 2.906 296 T HA 0.646 4.995 4.350 -0.000 0.000 0.295 296 T C -0.073 174.671 174.700 0.074 0.000 1.061 296 T CA -0.871 61.277 62.100 0.081 0.000 1.000 296 T CB 2.551 71.470 68.868 0.085 0.000 1.103 296 T HN -0.049 nan 8.240 nan 0.000 0.486 297 V N 1.843 121.808 119.914 0.085 0.000 2.427 297 V HA 0.739 4.859 4.120 -0.000 0.000 0.286 297 V C 0.559 176.767 176.094 0.190 0.000 1.034 297 V CA -0.811 61.544 62.300 0.093 0.000 0.893 297 V CB 0.924 32.663 31.823 -0.141 0.000 0.982 297 V HN 1.278 nan 8.190 nan 0.000 0.452 298 A N 5.640 128.573 122.820 0.188 0.000 2.317 298 A HA 0.745 5.064 4.320 -0.000 0.000 0.327 298 A C -0.735 176.690 177.584 -0.265 0.000 1.178 298 A CA -0.545 51.411 52.037 -0.134 0.000 0.817 298 A CB 1.033 19.889 19.000 -0.241 0.000 1.189 298 A HN 0.723 nan 8.150 nan 0.000 0.489 299 L N 2.832 123.815 121.223 -0.400 0.000 2.272 299 L HA 0.547 4.887 4.340 -0.000 0.000 0.289 299 L C -1.555 175.068 176.870 -0.411 0.000 1.032 299 L CA -0.160 54.593 54.840 -0.145 0.000 0.810 299 L CB 0.659 42.788 42.059 0.116 0.000 1.205 299 L HN 0.896 nan 8.230 nan 0.000 0.422 300 W N 3.894 125.298 121.300 0.173 0.000 2.761 300 W HA 0.400 5.060 4.660 -0.000 0.000 0.340 300 W C -0.209 176.399 176.519 0.147 0.000 1.072 300 W CA -0.600 56.817 57.345 0.121 0.000 1.215 300 W CB 1.606 31.115 29.460 0.081 0.000 1.420 300 W HN 0.387 nan 8.180 nan 0.000 0.519 301 D N 2.033 122.674 120.400 0.403 0.000 2.391 301 D HA 0.252 4.892 4.640 -0.000 0.000 0.245 301 D C 0.528 177.006 176.300 0.298 0.000 1.069 301 D CA -0.352 53.831 54.000 0.306 0.000 0.831 301 D CB 2.079 42.997 40.800 0.197 0.000 1.204 301 D HN 0.414 nan 8.370 nan 0.000 0.503 302 L N 3.066 124.489 121.223 0.333 0.000 2.456 302 L HA -0.029 4.310 4.340 -0.000 0.000 0.224 302 L C 2.256 179.257 176.870 0.218 0.000 1.148 302 L CA 0.631 55.647 54.840 0.292 0.000 0.825 302 L CB 0.033 42.319 42.059 0.378 0.000 0.937 302 L HN 0.249 nan 8.230 nan 0.000 0.450 303 R N -0.312 120.268 120.500 0.134 0.000 2.119 303 R HA 0.004 4.344 4.340 -0.000 0.000 0.222 303 R C 0.841 177.176 176.300 0.059 0.000 1.088 303 R CA 0.631 56.743 56.100 0.020 0.000 0.984 303 R CB 0.039 30.233 30.300 -0.175 0.000 0.884 303 R HN 0.280 nan 8.270 nan 0.000 0.447 304 N N 0.269 119.026 118.700 0.094 0.000 2.664 304 N HA 0.023 4.763 4.740 -0.000 0.000 0.268 304 N C 0.081 175.679 175.510 0.145 0.000 1.222 304 N CA -0.198 52.905 53.050 0.090 0.000 0.805 304 N CB 1.111 39.628 38.487 0.050 0.000 1.399 304 N HN -0.071 nan 8.380 nan 0.000 0.547 305 L N 2.678 123.986 121.223 0.142 0.000 2.291 305 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 305 L C 2.332 179.300 176.870 0.163 0.000 1.120 305 L CA 1.241 56.171 54.840 0.151 0.000 0.799 305 L CB -0.834 41.248 42.059 0.037 0.000 0.925 305 L HN 0.645 nan 8.230 nan 0.000 0.446 306 K N 0.087 120.544 120.400 0.094 0.000 2.211 306 K HA -0.173 4.147 4.320 -0.000 0.000 0.204 306 K C 0.643 177.327 176.600 0.142 0.000 1.047 306 K CA 0.608 56.945 56.287 0.083 0.000 0.935 306 K CB 0.075 32.591 32.500 0.027 0.000 0.728 306 K HN 0.033 nan 8.250 nan 0.000 0.452 307 L N 2.032 123.350 121.223 0.157 0.000 2.257 307 L HA 0.185 4.525 4.340 -0.000 0.000 0.290 307 L C -0.722 176.230 176.870 0.137 0.000 1.044 307 L CA -0.110 54.800 54.840 0.115 0.000 0.810 307 L CB 1.181 43.278 42.059 0.063 0.000 1.193 307 L HN -0.125 nan 8.230 nan 0.000 0.425 308 K N 5.159 125.557 120.400 -0.002 0.000 2.292 308 K HA 0.167 4.486 4.320 -0.000 0.000 0.290 308 K C 0.821 177.237 176.600 -0.307 0.000 1.083 308 K CA -0.255 55.790 56.287 -0.403 0.000 0.918 308 K CB 0.485 32.658 32.500 -0.546 0.000 1.089 308 K HN 0.836 nan 8.250 nan 0.000 0.473 309 L N 2.447 123.510 121.223 -0.266 0.000 2.042 309 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 309 L C 0.855 177.660 176.870 -0.108 0.000 1.076 309 L CA 1.369 56.136 54.840 -0.122 0.000 0.749 309 L CB -0.349 41.685 42.059 -0.041 0.000 0.893 309 L HN 0.724 nan 8.230 nan 0.000 0.432 310 H N -2.468 116.379 119.070 -0.373 0.000 3.042 310 H HA 0.340 4.895 4.556 -0.001 0.000 0.346 310 H C -1.357 173.652 175.328 -0.533 0.000 1.294 310 H CA -0.714 55.066 56.048 -0.447 0.000 1.141 310 H CB 1.790 31.231 29.762 -0.535 0.000 1.872 310 H HN -0.300 nan 8.280 nan 0.000 0.541 311 T N 3.689 117.550 114.554 -1.156 0.000 2.890 311 T HA 0.340 4.690 4.350 -0.000 0.000 0.295 311 T C -1.123 173.056 174.700 -0.869 0.000 0.993 311 T CA -0.484 61.165 62.100 -0.752 0.000 0.979 311 T CB -0.090 68.509 68.868 -0.448 0.000 0.967 311 T HN 0.267 nan 8.240 nan 0.000 0.441 312 F N 2.600 122.271 119.950 -0.464 0.000 2.421 312 F HA 0.377 4.904 4.527 -0.000 0.000 0.358 312 F C 1.099 176.693 175.800 -0.343 0.000 1.115 312 F CA -0.705 56.922 58.000 -0.622 0.000 1.160 312 F CB 0.679 38.790 39.000 -1.482 0.000 1.123 312 F HN 0.407 nan 8.300 nan 0.000 0.508 313 E N 1.871 122.109 120.200 0.064 0.000 2.171 313 E HA 0.591 4.941 4.350 -0.000 0.000 0.271 313 E C -0.165 176.655 176.600 0.367 0.000 0.916 313 E CA -0.371 56.138 56.400 0.181 0.000 0.774 313 E CB 1.897 31.644 29.700 0.078 0.000 1.128 313 E HN 0.682 nan 8.360 nan 0.000 0.403 314 S N 0.562 116.460 115.700 0.330 0.000 2.365 314 S HA -0.049 4.421 4.470 -0.000 0.000 0.126 314 S C -0.462 174.211 174.600 0.120 0.000 0.626 314 S CA -0.353 57.972 58.200 0.208 0.000 1.493 314 S CB -0.268 63.039 63.200 0.179 0.000 0.946 314 S HN 0.622 nan 8.310 nan 0.000 0.277 315 H N 2.576 121.788 119.070 0.237 0.000 3.034 315 H HA 0.170 4.726 4.556 -0.001 0.000 0.324 315 H C 0.838 176.223 175.328 0.094 0.000 1.015 315 H CA 0.796 56.936 56.048 0.152 0.000 1.429 315 H CB 0.547 30.413 29.762 0.173 0.000 1.429 315 H HN 0.162 nan 8.280 nan 0.000 0.585 316 K N 2.038 122.556 120.400 0.196 0.000 2.417 316 K HA 0.046 4.366 4.320 -0.000 0.000 0.196 316 K C -0.156 176.501 176.600 0.095 0.000 1.023 316 K CA 0.236 56.590 56.287 0.112 0.000 1.122 316 K CB 0.519 33.060 32.500 0.068 0.000 0.850 316 K HN 0.561 nan 8.250 nan 0.000 0.521 317 D N -0.056 120.411 120.400 0.113 0.000 2.851 317 D HA 0.085 4.725 4.640 -0.000 0.000 0.339 317 D C -1.218 175.101 176.300 0.030 0.000 1.347 317 D CA -0.646 53.394 54.000 0.067 0.000 0.888 317 D CB 0.971 41.812 40.800 0.069 0.000 1.431 317 D HN -0.116 nan 8.370 nan 0.000 0.509 318 E N 0.401 120.607 120.200 0.010 0.000 2.502 318 E HA 0.123 4.473 4.350 -0.000 0.000 0.261 318 E C -0.175 176.346 176.600 -0.131 0.000 0.974 318 E CA 0.549 56.894 56.400 -0.091 0.000 0.936 318 E CB 0.586 30.250 29.700 -0.060 0.000 0.926 318 E HN 0.213 nan 8.360 nan 0.000 0.459 319 I N 3.384 123.782 120.570 -0.288 0.000 2.336 319 I HA 0.105 4.275 4.170 -0.000 0.000 0.292 319 I C 0.177 176.082 176.117 -0.354 0.000 0.991 319 I CA -0.173 60.961 61.300 -0.276 0.000 1.227 319 I CB 0.672 38.517 38.000 -0.259 0.000 1.366 319 I HN 0.584 nan 8.210 nan 0.000 0.466 320 F N 2.915 122.799 119.950 -0.110 0.000 2.746 320 F HA 0.234 4.761 4.527 -0.000 0.000 0.313 320 F C 0.684 176.439 175.800 -0.076 0.000 1.095 320 F CA -0.153 57.787 58.000 -0.100 0.000 1.224 320 F CB 0.646 39.578 39.000 -0.114 0.000 1.060 320 F HN 0.376 nan 8.300 nan 0.000 0.584 321 Q N 0.531 120.405 119.800 0.123 0.000 2.359 321 Q HA 0.669 5.009 4.340 -0.000 0.000 0.274 321 Q C -1.622 174.416 176.000 0.064 0.000 1.074 321 Q CA -0.541 55.289 55.803 0.045 0.000 0.810 321 Q CB 2.606 31.405 28.738 0.101 0.000 1.342 321 Q HN -0.116 nan 8.270 nan 0.000 0.427 322 V N 4.244 124.036 119.914 -0.203 0.000 2.733 322 V HA 0.599 4.719 4.120 -0.000 0.000 0.306 322 V C -1.338 174.521 176.094 -0.392 0.000 1.084 322 V CA -0.665 61.566 62.300 -0.116 0.000 0.905 322 V CB 2.171 33.929 31.823 -0.108 0.000 1.010 322 V HN 0.817 nan 8.190 nan 0.000 0.424 323 H N 2.075 121.281 119.070 0.227 0.000 2.947 323 H HA 0.311 4.866 4.556 -0.000 0.000 0.354 323 H C -1.306 174.217 175.328 0.326 0.000 1.085 323 H CA -0.767 55.456 56.048 0.291 0.000 1.253 323 H CB 1.491 31.468 29.762 0.360 0.000 1.757 323 H HN 0.648 nan 8.280 nan 0.000 0.523 324 W N 1.150 122.638 121.300 0.313 0.000 2.215 324 W HA 0.281 4.941 4.660 -0.000 0.000 0.342 324 W C 1.038 177.249 176.519 -0.514 0.000 1.237 324 W CA -0.220 57.136 57.345 0.019 0.000 1.283 324 W CB 0.655 30.122 29.460 0.011 0.000 1.131 324 W HN 0.381 nan 8.180 nan 0.000 0.606 325 S N 3.192 118.509 115.700 -0.637 0.000 2.531 325 S HA 0.148 4.618 4.470 -0.000 0.000 0.279 325 S C -1.063 173.223 174.600 -0.523 0.000 1.305 325 S CA -1.238 56.177 58.200 -1.307 0.000 1.058 325 S CB 0.707 63.113 63.200 -1.323 0.000 0.899 325 S HN 0.302 nan 8.310 nan 0.000 0.493 326 P HA 0.089 nan 4.420 nan 0.000 0.241 326 P C 0.018 177.105 177.300 -0.356 0.000 1.191 326 P CA 0.817 63.699 63.100 -0.363 0.000 0.771 326 P CB -0.038 31.407 31.700 -0.425 0.000 0.929 327 H N -1.534 117.436 119.070 -0.168 0.000 2.788 327 H HA 0.246 4.802 4.556 -0.000 0.000 0.262 327 H C 0.151 175.348 175.328 -0.218 0.000 0.968 327 H CA 0.028 55.990 56.048 -0.144 0.000 1.218 327 H CB 0.231 29.844 29.762 -0.250 0.000 1.443 327 H HN 0.100 nan 8.280 nan 0.000 0.478 328 N N 1.064 119.630 118.700 -0.223 0.000 2.442 328 N HA 0.067 4.806 4.740 -0.000 0.000 0.274 328 N C -0.026 175.368 175.510 -0.192 0.000 1.002 328 N CA -0.316 52.591 53.050 -0.239 0.000 0.910 328 N CB 1.827 40.160 38.487 -0.257 0.000 1.244 328 N HN 0.297 nan 8.380 nan 0.000 0.492 329 E N -0.026 119.995 120.200 -0.298 0.000 2.418 329 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 329 E C 0.728 177.339 176.600 0.019 0.000 1.026 329 E CA 0.979 57.257 56.400 -0.203 0.000 0.862 329 E CB -0.090 29.348 29.700 -0.437 0.000 0.799 329 E HN 0.628 nan 8.360 nan 0.000 0.518 330 T N -1.374 113.229 114.554 0.081 0.000 3.044 330 T HA 0.237 4.587 4.350 -0.000 0.000 0.260 330 T C 0.507 175.389 174.700 0.303 0.000 1.019 330 T CA -0.482 61.748 62.100 0.216 0.000 0.921 330 T CB 0.112 69.080 68.868 0.165 0.000 1.053 330 T HN -0.093 nan 8.240 nan 0.000 0.533 331 I N 2.331 123.038 120.570 0.228 0.000 2.336 331 I HA 0.524 4.693 4.170 -0.000 0.000 0.292 331 I C -0.285 175.945 176.117 0.187 0.000 0.991 331 I CA -1.470 59.941 61.300 0.185 0.000 1.227 331 I CB 1.389 39.364 38.000 -0.041 0.000 1.366 331 I HN 0.326 nan 8.210 nan 0.000 0.466 332 L N 5.210 126.553 121.223 0.201 0.000 2.388 332 L HA 0.850 5.190 4.340 -0.000 0.000 0.264 332 L C -0.830 176.262 176.870 0.370 0.000 0.998 332 L CA -0.512 54.341 54.840 0.022 0.000 0.817 332 L CB 2.296 44.063 42.059 -0.488 0.000 1.338 332 L HN 0.724 nan 8.230 nan 0.000 0.414 333 A N 2.030 125.138 122.820 0.480 0.000 2.435 333 A HA 0.871 5.191 4.320 -0.000 0.000 0.304 333 A C -0.956 176.940 177.584 0.520 0.000 1.064 333 A CA -0.297 52.042 52.037 0.504 0.000 0.727 333 A CB 2.019 21.272 19.000 0.422 0.000 1.284 333 A HN 0.698 nan 8.150 nan 0.000 0.415 334 S N 0.121 116.077 115.700 0.426 0.000 2.579 334 S HA 0.927 5.397 4.470 -0.000 0.000 0.272 334 S C -0.487 174.339 174.600 0.376 0.000 1.141 334 S CA 0.110 58.599 58.200 0.482 0.000 0.843 334 S CB 1.522 65.038 63.200 0.527 0.000 1.122 334 S HN 2.293 nan 8.310 nan 0.000 0.468 335 S N -0.187 115.677 115.700 0.272 0.000 2.643 335 S HA 1.011 5.480 4.470 -0.000 0.000 0.270 335 S C -0.045 174.570 174.600 0.026 0.000 1.166 335 S CA -0.290 58.009 58.200 0.165 0.000 0.815 335 S CB 0.915 64.263 63.200 0.247 0.000 1.139 335 S HN 2.277 nan 8.310 nan 0.000 0.472 336 G N 0.064 108.889 108.800 0.043 0.000 2.392 336 G HA2 0.377 4.337 3.960 -0.000 0.000 0.260 336 G HA3 0.377 4.337 3.960 -0.000 0.000 0.260 336 G C 0.257 175.219 174.900 0.102 0.000 1.226 336 G CA 0.241 45.408 45.100 0.113 0.000 0.913 336 G HN 0.903 nan 8.290 nan 0.000 0.483 337 T N 1.530 116.175 114.554 0.152 0.000 2.881 337 T HA -0.043 4.307 4.350 -0.000 0.000 0.270 337 T C 1.775 176.514 174.700 0.064 0.000 1.068 337 T CA 1.973 64.131 62.100 0.097 0.000 1.131 337 T CB -0.340 68.610 68.868 0.138 0.000 0.871 337 T HN 0.667 nan 8.240 nan 0.000 0.479 338 D N 1.366 121.815 120.400 0.082 0.000 2.378 338 D HA -0.111 4.529 4.640 -0.000 0.000 0.227 338 D C 0.867 177.201 176.300 0.056 0.000 1.012 338 D CA 0.150 54.197 54.000 0.079 0.000 0.905 338 D CB -0.384 40.497 40.800 0.135 0.000 0.895 338 D HN 0.390 nan 8.370 nan 0.000 0.532 339 R N -1.241 119.289 120.500 0.050 0.000 3.954 339 R HA -0.130 4.210 4.340 -0.000 0.000 0.422 339 R C -0.145 176.171 176.300 0.026 0.000 1.091 339 R CA 0.837 56.950 56.100 0.022 0.000 1.168 339 R CB -1.362 28.928 30.300 -0.017 0.000 1.752 339 R HN 0.239 nan 8.270 nan 0.000 0.547 340 R N 0.883 121.433 120.500 0.084 0.000 2.720 340 R HA 0.524 4.864 4.340 -0.000 0.000 0.272 340 R C -0.248 176.168 176.300 0.192 0.000 0.991 340 R CA -0.877 55.269 56.100 0.077 0.000 1.010 340 R CB 1.199 31.525 30.300 0.042 0.000 1.141 340 R HN 0.075 nan 8.270 nan 0.000 0.494 341 L N 1.965 123.286 121.223 0.163 0.000 2.343 341 L HA 0.407 4.746 4.340 -0.000 0.000 0.278 341 L C -0.804 176.132 176.870 0.109 0.000 0.996 341 L CA -0.346 54.603 54.840 0.183 0.000 0.831 341 L CB 1.167 43.338 42.059 0.187 0.000 1.232 341 L HN 0.558 nan 8.230 nan 0.000 0.413 342 N N 3.632 122.359 118.700 0.044 0.000 2.430 342 N HA 0.457 5.197 4.740 -0.000 0.000 0.292 342 N C -1.200 174.149 175.510 -0.269 0.000 1.051 342 N CA -0.745 52.131 53.050 -0.289 0.000 0.917 342 N CB 2.405 40.463 38.487 -0.716 0.000 1.164 342 N HN 0.220 nan 8.380 nan 0.000 0.484 343 V N 2.288 122.069 119.914 -0.221 0.000 2.398 343 V HA 0.391 4.511 4.120 -0.000 0.000 0.286 343 V C -0.827 175.163 176.094 -0.173 0.000 1.026 343 V CA -0.669 61.639 62.300 0.014 0.000 0.868 343 V CB 0.384 32.433 31.823 0.376 0.000 0.982 343 V HN 0.624 nan 8.190 nan 0.000 0.443 344 W N 1.997 123.401 121.300 0.172 0.000 2.606 344 W HA 0.616 5.276 4.660 -0.000 0.000 0.332 344 W C -0.299 176.338 176.519 0.197 0.000 1.052 344 W CA -0.640 56.782 57.345 0.128 0.000 1.223 344 W CB 1.052 30.422 29.460 -0.150 0.000 1.383 344 W HN 0.417 nan 8.180 nan 0.000 0.524 345 D N 2.456 123.138 120.400 0.470 0.000 2.453 345 D HA 0.241 4.881 4.640 -0.000 0.000 0.238 345 D C 0.742 177.256 176.300 0.356 0.000 1.088 345 D CA -0.268 53.958 54.000 0.377 0.000 0.854 345 D CB 1.145 42.137 40.800 0.320 0.000 1.076 345 D HN 0.394 nan 8.370 nan 0.000 0.533 346 L N 2.230 123.659 121.223 0.344 0.000 2.127 346 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 346 L C 2.137 179.108 176.870 0.169 0.000 1.089 346 L CA 1.300 56.309 54.840 0.283 0.000 0.757 346 L CB -0.567 41.672 42.059 0.301 0.000 0.899 346 L HN 0.410 nan 8.230 nan 0.000 0.434 347 S N -0.757 115.044 115.700 0.169 0.000 2.595 347 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 347 S C 1.184 175.847 174.600 0.106 0.000 0.974 347 S CA 0.562 58.834 58.200 0.120 0.000 0.942 347 S CB -0.241 63.032 63.200 0.121 0.000 0.766 347 S HN 0.460 nan 8.310 nan 0.000 0.536 348 K N -0.026 120.448 120.400 0.122 0.000 2.592 348 K HA 0.440 4.759 4.320 -0.000 0.000 0.203 348 K C 0.580 177.229 176.600 0.083 0.000 1.070 348 K CA -0.130 56.222 56.287 0.108 0.000 1.062 348 K CB 0.260 32.843 32.500 0.140 0.000 0.814 348 K HN 0.307 nan 8.250 nan 0.000 0.502 349 I N 0.329 120.912 120.570 0.021 0.000 2.286 349 I HA -0.132 4.037 4.170 -0.000 0.000 0.245 349 I C 1.834 177.928 176.117 -0.038 0.000 1.104 349 I CA 1.455 62.698 61.300 -0.095 0.000 1.397 349 I CB 0.112 37.908 38.000 -0.341 0.000 1.072 349 I HN 0.272 nan 8.210 nan 0.000 0.417 350 G N 0.329 109.121 108.800 -0.013 0.000 3.314 350 G HA2 0.002 3.962 3.960 -0.000 0.000 0.238 350 G HA3 0.002 3.962 3.960 -0.000 0.000 0.238 350 G C 0.321 175.237 174.900 0.027 0.000 1.184 350 G CA -0.284 44.821 45.100 0.009 0.000 0.806 350 G HN 0.281 nan 8.290 nan 0.000 0.536 351 E N 1.356 121.580 120.200 0.039 0.000 2.338 351 E HA 0.223 4.573 4.350 -0.000 0.000 0.272 351 E C 0.415 177.041 176.600 0.043 0.000 1.029 351 E CA -0.459 55.968 56.400 0.044 0.000 0.872 351 E CB 0.531 30.265 29.700 0.057 0.000 1.015 351 E HN 0.561 nan 8.360 nan 0.000 0.417 352 E N 3.643 123.864 120.200 0.035 0.000 2.349 352 E HA 0.134 4.484 4.350 -0.000 0.000 0.265 352 E C -0.603 176.016 176.600 0.032 0.000 1.064 352 E CA -0.565 55.853 56.400 0.030 0.000 0.886 352 E CB 0.923 30.637 29.700 0.023 0.000 1.036 352 E HN 0.513 nan 8.360 nan 0.000 0.413 353 Q N 0.535 120.353 119.800 0.029 0.000 2.435 353 Q HA 0.377 4.717 4.340 -0.000 0.000 0.282 353 Q C -0.939 175.073 176.000 0.020 0.000 1.020 353 Q CA -1.076 54.743 55.803 0.027 0.000 0.820 353 Q CB 1.335 30.095 28.738 0.036 0.000 1.436 353 Q HN 0.683 nan 8.270 nan 0.000 0.395 354 S N 0.369 116.078 115.700 0.015 0.000 2.617 354 S HA 0.450 4.920 4.470 -0.000 0.000 0.259 354 S C 1.075 175.681 174.600 0.010 0.000 1.301 354 S CA -0.019 58.186 58.200 0.010 0.000 0.984 354 S CB 0.893 64.096 63.200 0.005 0.000 0.954 354 S HN 0.876 nan 8.310 nan 0.000 0.572 355 A N 0.724 123.547 122.820 0.006 0.000 1.930 355 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 355 A C 2.170 179.756 177.584 0.003 0.000 1.175 355 A CA 1.346 53.387 52.037 0.005 0.000 0.627 355 A CB -1.091 17.911 19.000 0.003 0.000 0.815 355 A HN 0.996 nan 8.150 nan 0.000 0.443 356 E N -0.774 119.425 120.200 -0.001 0.000 2.274 356 E HA -0.147 4.202 4.350 -0.000 0.000 0.194 356 E C 0.643 177.240 176.600 -0.005 0.000 0.996 356 E CA 1.120 57.517 56.400 -0.005 0.000 0.840 356 E CB -0.226 29.467 29.700 -0.010 0.000 0.772 356 E HN 0.410 nan 8.360 nan 0.000 0.491 357 D N 0.962 121.363 120.400 0.001 0.000 2.271 357 D HA 0.110 4.750 4.640 -0.000 0.000 0.206 357 D C 1.806 178.115 176.300 0.016 0.000 0.967 357 D CA 1.110 55.113 54.000 0.006 0.000 0.867 357 D CB 0.131 40.937 40.800 0.011 0.000 0.960 357 D HN 0.285 nan 8.370 nan 0.000 0.509 358 A N 0.590 123.422 122.820 0.019 0.000 2.119 358 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 358 A C 1.866 179.463 177.584 0.023 0.000 1.152 358 A CA 0.770 52.823 52.037 0.027 0.000 0.708 358 A CB -0.272 18.744 19.000 0.026 0.000 0.805 358 A HN 0.127 nan 8.150 nan 0.000 0.460 359 E N 0.085 120.293 120.200 0.012 0.000 2.208 359 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 359 E C 0.580 177.183 176.600 0.004 0.000 0.988 359 E CA 0.945 57.349 56.400 0.007 0.000 0.828 359 E CB -0.025 29.674 29.700 -0.001 0.000 0.763 359 E HN 0.520 nan 8.360 nan 0.000 0.478 360 D N -0.323 120.077 120.400 0.001 0.000 2.349 360 D HA 0.110 4.749 4.640 -0.000 0.000 0.215 360 D C 0.821 177.123 176.300 0.004 0.000 1.016 360 D CA 0.710 54.704 54.000 -0.010 0.000 0.870 360 D CB 0.917 41.704 40.800 -0.023 0.000 0.917 360 D HN 0.200 nan 8.370 nan 0.000 0.524 361 G N 0.805 109.625 108.800 0.033 0.000 2.353 361 G HA2 0.002 3.962 3.960 -0.000 0.000 0.424 361 G HA3 0.002 3.962 3.960 -0.000 0.000 0.424 361 G C -2.966 171.997 174.900 0.105 0.000 1.320 361 G CA -1.086 44.057 45.100 0.073 0.000 0.995 361 G HN -0.189 nan 8.290 nan 0.000 0.580 362 P HA 0.249 nan 4.420 nan 0.000 0.272 362 P C -1.856 175.563 177.300 0.198 0.000 1.230 362 P CA -0.970 62.243 63.100 0.189 0.000 0.788 362 P CB 0.994 32.854 31.700 0.266 0.000 0.949 363 P HA -0.160 nan 4.420 nan 0.000 0.222 363 P C 1.092 178.510 177.300 0.197 0.000 1.147 363 P CA 1.509 64.697 63.100 0.146 0.000 0.790 363 P CB -0.028 31.738 31.700 0.111 0.000 0.780 364 E N -0.076 120.296 120.200 0.287 0.000 2.481 364 E HA -0.045 4.304 4.350 -0.000 0.000 0.195 364 E C 0.675 177.567 176.600 0.487 0.000 1.047 364 E CA -0.171 56.461 56.400 0.387 0.000 0.867 364 E CB -0.773 29.197 29.700 0.451 0.000 0.858 364 E HN 0.202 nan 8.360 nan 0.000 0.513 365 L N 2.235 123.696 121.223 0.396 0.000 2.485 365 L HA 0.078 4.417 4.340 -0.000 0.000 0.279 365 L C 0.960 177.867 176.870 0.061 0.000 1.124 365 L CA -0.048 54.863 54.840 0.117 0.000 0.888 365 L CB 0.457 42.510 42.059 -0.009 0.000 1.217 365 L HN 0.088 nan 8.230 nan 0.000 0.464 366 L N 5.116 126.384 121.223 0.075 0.000 2.127 366 L HA 0.203 4.543 4.340 -0.000 0.000 0.203 366 L C -0.238 176.752 176.870 0.200 0.000 1.080 366 L CA 0.543 55.484 54.840 0.168 0.000 0.768 366 L CB 0.279 42.499 42.059 0.268 0.000 0.924 366 L HN 0.638 nan 8.230 nan 0.000 0.444 367 F N -0.408 119.499 119.950 -0.071 0.000 2.652 367 F HA 0.398 4.925 4.527 -0.001 0.000 0.320 367 F C -1.319 174.415 175.800 -0.110 0.000 1.115 367 F CA -0.883 57.089 58.000 -0.046 0.000 1.053 367 F CB 1.143 40.183 39.000 0.068 0.000 1.297 367 F HN -0.268 nan 8.300 nan 0.000 0.471 368 I N 5.305 125.469 120.570 -0.677 0.000 2.355 368 I HA 0.207 4.377 4.170 -0.000 0.000 0.288 368 I C -0.866 174.905 176.117 -0.577 0.000 0.999 368 I CA -0.822 60.196 61.300 -0.471 0.000 1.163 368 I CB 1.403 39.181 38.000 -0.371 0.000 1.316 368 I HN 0.578 nan 8.210 nan 0.000 0.454 369 H N 5.442 124.365 119.070 -0.245 0.000 2.782 369 H HA 0.379 4.935 4.556 -0.001 0.000 0.285 369 H C 0.674 175.874 175.328 -0.214 0.000 1.093 369 H CA -0.514 55.432 56.048 -0.169 0.000 1.410 369 H CB 1.139 30.699 29.762 -0.336 0.000 1.439 369 H HN 0.680 nan 8.280 nan 0.000 0.469 370 G N 2.901 111.315 108.800 -0.644 0.000 3.936 370 G HA2 0.150 4.110 3.960 -0.000 0.000 0.296 370 G HA3 0.150 4.110 3.960 -0.000 0.000 0.296 370 G C 1.207 175.227 174.900 -1.466 0.000 1.121 370 G CA 0.058 44.714 45.100 -0.741 0.000 0.899 370 G HN 0.776 nan 8.290 nan 0.000 0.542 371 G N -0.281 107.291 108.800 -2.046 0.000 2.551 371 G HA2 0.031 3.991 3.960 -0.000 0.000 0.216 371 G HA3 0.031 3.991 3.960 -0.000 0.000 0.216 371 G C 0.584 174.806 174.900 -1.129 0.000 1.137 371 G CA -0.028 43.678 45.100 -2.323 0.000 0.798 371 G HN 0.474 nan 8.290 nan 0.000 0.536 372 H N -0.045 118.668 119.070 -0.594 0.000 2.481 372 H HA 0.263 4.819 4.556 -0.000 0.000 0.339 372 H C 0.752 175.953 175.328 -0.211 0.000 1.131 372 H CA 0.813 56.704 56.048 -0.261 0.000 1.301 372 H CB 1.670 31.362 29.762 -0.117 0.000 1.476 372 H HN 0.136 nan 8.280 nan 0.000 0.529 373 T N -1.145 113.404 114.554 -0.009 0.000 3.044 373 T HA 0.556 4.905 4.350 -0.000 0.000 0.260 373 T C 0.551 175.273 174.700 0.037 0.000 1.019 373 T CA -0.193 61.877 62.100 -0.050 0.000 0.921 373 T CB 0.340 69.181 68.868 -0.045 0.000 1.053 373 T HN 0.620 nan 8.240 nan 0.000 0.533 374 A N 0.996 123.887 122.820 0.118 0.000 2.564 374 A HA 0.704 5.024 4.320 -0.000 0.000 0.288 374 A C -0.694 176.922 177.584 0.053 0.000 1.164 374 A CA -1.148 50.972 52.037 0.138 0.000 0.712 374 A CB 1.150 20.293 19.000 0.238 0.000 1.303 374 A HN 0.276 nan 8.150 nan 0.000 0.418 375 K N 0.807 121.225 120.400 0.030 0.000 2.511 375 K HA 0.139 4.459 4.320 -0.000 0.000 0.280 375 K C -0.810 175.758 176.600 -0.052 0.000 1.008 375 K CA 0.335 56.613 56.287 -0.015 0.000 1.050 375 K CB -0.089 32.383 32.500 -0.047 0.000 0.889 375 K HN 0.471 nan 8.250 nan 0.000 0.484 376 I N 4.769 125.303 120.570 -0.060 0.000 2.379 376 I HA -0.048 4.122 4.170 -0.000 0.000 0.290 376 I C 1.097 177.189 176.117 -0.041 0.000 1.063 376 I CA -0.189 61.053 61.300 -0.097 0.000 1.351 376 I CB 1.452 39.411 38.000 -0.067 0.000 1.410 376 I HN 0.765 nan 8.210 nan 0.000 0.505 377 S N 3.593 119.258 115.700 -0.059 0.000 2.348 377 S HA -0.043 4.427 4.470 -0.000 0.000 0.219 377 S C 0.436 175.046 174.600 0.017 0.000 1.033 377 S CA 0.855 59.013 58.200 -0.069 0.000 0.974 377 S CB -0.006 63.151 63.200 -0.071 0.000 0.868 377 S HN 0.737 nan 8.310 nan 0.000 0.459 378 D N -1.193 119.252 120.400 0.075 0.000 2.599 378 D HA 0.553 5.193 4.640 -0.000 0.000 0.252 378 D C -1.542 174.899 176.300 0.236 0.000 1.232 378 D CA -0.741 53.333 54.000 0.122 0.000 0.819 378 D CB 1.733 42.575 40.800 0.071 0.000 1.401 378 D HN 0.139 nan 8.370 nan 0.000 0.429 379 F N -0.657 119.381 119.950 0.146 0.000 2.662 379 F HA 0.767 5.294 4.527 -0.000 0.000 0.312 379 F C -1.334 174.493 175.800 0.045 0.000 1.113 379 F CA -0.834 57.223 58.000 0.094 0.000 0.951 379 F CB 1.786 40.849 39.000 0.105 0.000 1.344 379 F HN 0.145 nan 8.300 nan 0.000 0.462 380 S N 0.953 116.759 115.700 0.178 0.000 2.614 380 S HA 0.466 4.936 4.470 -0.000 0.000 0.275 380 S C -2.032 172.801 174.600 0.389 0.000 1.161 380 S CA -0.543 57.725 58.200 0.114 0.000 0.969 380 S CB 0.514 63.780 63.200 0.109 0.000 1.059 380 S HN 0.677 nan 8.310 nan 0.000 0.482 381 W N 3.801 125.257 121.300 0.261 0.000 2.253 381 W HA 0.337 4.996 4.660 -0.000 0.000 0.322 381 W C 1.056 177.579 176.519 0.007 0.000 1.342 381 W CA -0.138 57.294 57.345 0.145 0.000 1.218 381 W CB 0.432 29.929 29.460 0.063 0.000 1.205 381 W HN 0.605 nan 8.180 nan 0.000 0.551 382 N N 5.099 123.698 118.700 -0.168 0.000 2.468 382 N HA 0.026 4.766 4.740 -0.000 0.000 0.265 382 N C -1.340 174.103 175.510 -0.111 0.000 1.199 382 N CA -0.845 51.754 53.050 -0.752 0.000 0.928 382 N CB 1.347 39.209 38.487 -1.041 0.000 1.059 382 N HN 0.167 nan 8.380 nan 0.000 0.467 383 P HA 0.111 nan 4.420 nan 0.000 0.255 383 P C -0.243 177.146 177.300 0.148 0.000 1.248 383 P CA 0.740 63.857 63.100 0.029 0.000 0.807 383 P CB 0.519 32.258 31.700 0.065 0.000 1.150 384 N N -1.049 117.732 118.700 0.136 0.000 2.317 384 N HA 0.063 4.803 4.740 -0.000 0.000 0.199 384 N C 0.127 175.683 175.510 0.078 0.000 1.145 384 N CA 0.040 53.174 53.050 0.140 0.000 0.882 384 N CB 0.525 39.066 38.487 0.090 0.000 1.113 384 N HN -0.104 nan 8.380 nan 0.000 0.486 385 E N 1.533 121.729 120.200 -0.005 0.000 2.207 385 E HA 0.300 4.649 4.350 -0.000 0.000 0.250 385 E C -2.668 173.808 176.600 -0.205 0.000 0.890 385 E CA -2.072 54.264 56.400 -0.107 0.000 0.749 385 E CB 1.674 31.313 29.700 -0.102 0.000 1.193 385 E HN 0.009 nan 8.360 nan 0.000 0.423 386 P HA -0.110 nan 4.420 nan 0.000 0.261 386 P C -0.378 176.915 177.300 -0.013 0.000 1.173 386 P CA 0.595 63.382 63.100 -0.522 0.000 0.760 386 P CB 0.094 31.553 31.700 -0.402 0.000 0.783 387 W N -0.299 120.993 121.300 -0.013 0.000 1.828 387 W HA -0.213 4.447 4.660 -0.000 0.000 0.253 387 W C -0.208 176.239 176.519 -0.119 0.000 1.019 387 W CA -0.035 57.307 57.345 -0.004 0.000 0.447 387 W CB -2.091 27.227 29.460 -0.237 0.000 2.033 387 W HN 0.071 nan 8.180 nan 0.000 1.268 388 V N 3.015 122.931 119.914 0.004 0.000 2.488 388 V HA 0.326 4.445 4.120 -0.000 0.000 0.277 388 V C 0.687 176.596 176.094 -0.309 0.000 1.046 388 V CA 0.135 62.323 62.300 -0.186 0.000 0.986 388 V CB 0.708 32.382 31.823 -0.250 0.000 0.989 388 V HN 0.015 nan 8.190 nan 0.000 0.475 389 I N 4.121 124.338 120.570 -0.588 0.000 2.689 389 I HA 0.460 4.629 4.170 -0.000 0.000 0.299 389 I C -0.609 175.323 176.117 -0.307 0.000 1.059 389 I CA -0.434 60.497 61.300 -0.615 0.000 1.055 389 I CB 2.205 39.390 38.000 -1.359 0.000 1.243 389 I HN 0.631 nan 8.210 nan 0.000 0.425 390 C N 4.655 124.033 119.300 0.131 0.000 2.340 390 C HA 0.733 5.193 4.460 -0.000 0.000 0.323 390 C C 0.071 175.172 174.990 0.185 0.000 1.260 390 C CA -0.257 58.833 59.018 0.121 0.000 1.464 390 C CB 0.004 27.664 27.740 -0.133 0.000 2.156 390 C HN 0.813 nan 8.230 nan 0.000 0.476 391 S N 5.093 121.003 115.700 0.350 0.000 2.503 391 S HA 0.809 5.278 4.470 -0.000 0.000 0.301 391 S C -0.589 174.176 174.600 0.275 0.000 1.087 391 S CA -0.617 57.801 58.200 0.364 0.000 1.042 391 S CB 1.350 64.850 63.200 0.499 0.000 1.043 391 S HN 1.510 nan 8.310 nan 0.000 0.489 392 V N -0.006 119.975 119.914 0.112 0.000 2.628 392 V HA 0.957 5.077 4.120 -0.000 0.000 0.306 392 V C -0.084 175.974 176.094 -0.060 0.000 1.045 392 V CA -0.605 61.739 62.300 0.074 0.000 0.905 392 V CB 0.990 32.851 31.823 0.063 0.000 0.997 392 V HN 1.160 nan 8.190 nan 0.000 0.436 393 S N 1.631 117.318 115.700 -0.022 0.000 2.715 393 S HA 0.529 4.999 4.470 -0.000 0.000 0.307 393 S C 0.370 174.982 174.600 0.020 0.000 1.119 393 S CA -0.644 57.525 58.200 -0.052 0.000 0.937 393 S CB 1.828 65.010 63.200 -0.031 0.000 1.150 393 S HN 0.762 nan 8.310 nan 0.000 0.521 394 E N 0.506 120.715 120.200 0.016 0.000 2.472 394 E HA -0.091 4.258 4.350 -0.000 0.000 0.200 394 E C -0.054 176.579 176.600 0.054 0.000 1.046 394 E CA 0.978 57.399 56.400 0.035 0.000 0.871 394 E CB -0.176 29.537 29.700 0.021 0.000 0.806 394 E HN 0.733 nan 8.360 nan 0.000 0.533 395 D N -0.745 119.684 120.400 0.048 0.000 2.491 395 D HA 0.039 4.679 4.640 -0.000 0.000 0.228 395 D C -0.203 176.085 176.300 -0.021 0.000 1.183 395 D CA -0.405 53.589 54.000 -0.009 0.000 0.827 395 D CB -0.028 40.755 40.800 -0.027 0.000 0.989 395 D HN -0.086 nan 8.370 nan 0.000 0.494 396 N N -1.007 117.705 118.700 0.020 0.000 2.980 396 N HA -0.145 4.595 4.740 -0.000 0.000 0.219 396 N C -0.177 175.334 175.510 0.001 0.000 0.883 396 N CA 0.745 53.797 53.050 0.002 0.000 1.018 396 N CB -0.997 37.449 38.487 -0.067 0.000 1.041 396 N HN 0.298 nan 8.380 nan 0.000 0.592 400 I N 3.580 124.337 120.570 0.311 0.000 2.354 400 I HA 0.555 4.724 4.170 -0.000 0.000 0.286 400 I C -0.577 175.707 176.117 0.277 0.000 1.007 400 I CA -0.471 60.979 61.300 0.250 0.000 1.167 400 I CB 0.495 38.628 38.000 0.221 0.000 1.320 400 I HN 0.481 nan 8.210 nan 0.000 0.458 401 W N 5.651 126.997 121.300 0.077 0.000 3.062 401 W HA 0.717 5.376 4.660 -0.001 0.000 0.336 401 W C -1.642 174.939 176.519 0.104 0.000 1.224 401 W CA -0.793 56.584 57.345 0.053 0.000 1.159 401 W CB 1.643 31.081 29.460 -0.037 0.000 1.454 401 W HN 0.458 nan 8.180 nan 0.000 0.569 405 E N 1.128 121.122 120.200 -0.344 0.000 2.153 405 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 405 E C 1.245 177.348 176.600 -0.827 0.000 0.988 405 E CA 1.844 57.780 56.400 -0.774 0.000 0.811 405 E CB -0.151 29.315 29.700 -0.390 0.000 0.746 405 E HN 0.768 nan 8.360 nan 0.000 0.466 406 N N -0.248 118.195 118.700 -0.428 0.000 2.551 406 N HA -0.059 4.681 4.740 -0.000 0.000 0.199 406 N C 1.124 176.469 175.510 -0.275 0.000 1.277 406 N CA 0.523 53.392 53.050 -0.302 0.000 0.870 406 N CB 0.064 38.453 38.487 -0.164 0.000 1.028 406 N HN 0.290 nan 8.380 nan 0.000 0.452 407 I N -1.478 118.862 120.570 -0.384 0.000 3.718 407 I HA 0.046 4.215 4.170 -0.000 0.000 0.297 407 I C 0.964 176.969 176.117 -0.187 0.000 1.220 407 I CA 0.001 61.176 61.300 -0.209 0.000 1.381 407 I CB -0.025 37.916 38.000 -0.099 0.000 1.238 407 I HN 0.159 nan 8.210 nan 0.000 0.448 408 Y N -0.576 119.547 120.300 -0.294 0.000 2.481 408 Y HA 0.376 4.926 4.550 -0.000 0.000 0.258 408 Y C 1.111 176.905 175.900 -0.177 0.000 1.103 408 Y CA -0.742 57.170 58.100 -0.313 0.000 1.287 408 Y CB -0.715 37.238 38.460 -0.844 0.000 1.108 408 Y HN -0.037 nan 8.280 nan 0.000 0.529 409 N N 0.000 118.435 118.700 -0.441 0.000 1.763 409 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 409 N CA 0.000 52.927 53.050 -0.205 0.000 0.885 409 N CB 0.000 38.288 38.487 -0.332 0.000 1.341 409 N HN 0.000 nan 8.380 nan 0.000 0.667