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 2jkv_1_C DATA FIRST_RESID 2 DATA SEQUENCE AQADIALIGL AVMGQNLILN MNDHGFVVCA FNRTVSKVDD FLANEAKGTK DATA SEQUENCE VVGAQSLKEM VSKLKKPRRI ILLVKAGQAV DDFIEKLVPL LDTGDIIIDG DATA SEQUENCE GNSEYRDTTR RCRDLKAKGI LFVGSGVSGG EEGARYGPSL MPGGNKEAWP DATA SEQUENCE HIKTIFQGIA AKVGTGEPCC DWVGDEGAGH FVKMVHNGIE YGDMQLICEA DATA SEQUENCE YHLMKDVLGM AQDEMAQAFE DWNKTELDSF LIEITANILK FQDTDGKHLL DATA SEQUENCE PKIRDSAGQK GTGKWTAISA LEYGVPVTLI GEAVFARCLS SLKDERIQAS DATA SEQUENCE KKLKGPQKFQ FDGDKKSFLE DIRKALYASK IISYAQGFML LRQAATEFGW DATA SEQUENCE TLNYGGIALM WRGGCIIRSV FLGKIKDAFD RNPELQNLLL DDFFKSAVEN DATA SEQUENCE CQDSWRRAVS TGVQAGIPMP CFTTALSFYD GYRHEMLPAS LIQAQRDYFG DATA SEQUENCE AHTYELLAKP GQFIHTNWTG HGGTVSSSSY NA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.591 177.584 0.012 0.000 1.274 2 A CA 0.000 52.040 52.037 0.005 0.000 0.836 2 A CB 0.000 19.001 19.000 0.002 0.000 0.831 3 Q N 0.051 119.860 119.800 0.015 0.000 2.304 3 Q HA 0.286 4.626 4.340 -0.000 0.000 0.204 3 Q C 1.169 177.190 176.000 0.034 0.000 0.936 3 Q CA 1.231 57.047 55.803 0.022 0.000 0.878 3 Q CB 0.110 28.860 28.738 0.020 0.000 0.983 3 Q HN 0.984 nan 8.270 nan 0.000 0.516 4 A N 1.752 124.592 122.820 0.034 0.000 2.388 4 A HA 0.115 4.434 4.320 -0.000 0.000 0.257 4 A C 0.459 178.074 177.584 0.051 0.000 1.095 4 A CA -0.240 51.825 52.037 0.047 0.000 0.791 4 A CB 0.346 19.371 19.000 0.041 0.000 1.029 4 A HN 0.084 nan 8.150 nan 0.000 0.489 5 D N 0.459 120.906 120.400 0.078 0.000 2.249 5 D HA 0.124 4.764 4.640 -0.000 0.000 0.205 5 D C 0.179 176.494 176.300 0.026 0.000 0.962 5 D CA 1.372 55.418 54.000 0.076 0.000 0.860 5 D CB 0.300 41.199 40.800 0.164 0.000 0.955 5 D HN 0.533 nan 8.370 nan 0.000 0.505 6 I N -0.734 119.853 120.570 0.029 0.000 2.882 6 I HA 0.384 4.554 4.170 -0.000 0.000 0.298 6 I C -1.966 174.163 176.117 0.021 0.000 1.462 6 I CA -0.685 60.618 61.300 0.006 0.000 1.000 6 I CB 2.082 40.067 38.000 -0.026 0.000 1.340 6 I HN -0.197 nan 8.210 nan 0.000 0.462 7 A N 5.959 128.785 122.820 0.011 0.000 2.356 7 A HA 0.901 5.221 4.320 -0.000 0.000 0.323 7 A C -1.849 175.740 177.584 0.008 0.000 1.119 7 A CA -0.556 51.491 52.037 0.017 0.000 0.790 7 A CB 1.745 20.747 19.000 0.003 0.000 1.273 7 A HN 0.704 nan 8.150 nan 0.000 0.452 8 L N 1.852 123.083 121.223 0.013 0.000 2.436 8 L HA 0.704 5.044 4.340 -0.000 0.000 0.268 8 L C -1.614 175.233 176.870 -0.037 0.000 0.974 8 L CA -0.516 54.311 54.840 -0.020 0.000 0.826 8 L CB 1.552 43.597 42.059 -0.023 0.000 1.291 8 L HN 0.662 nan 8.230 nan 0.000 0.406 9 I N 4.622 125.128 120.570 -0.106 0.000 2.362 9 I HA 0.763 4.933 4.170 -0.000 0.000 0.289 9 I C 0.173 176.164 176.117 -0.210 0.000 0.994 9 I CA -0.618 60.569 61.300 -0.188 0.000 1.158 9 I CB 1.692 39.440 38.000 -0.420 0.000 1.315 9 I HN 0.777 nan 8.210 nan 0.000 0.451 10 G N 6.003 114.688 108.800 -0.192 0.000 3.393 10 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.676 10 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.676 10 G C -0.869 173.915 174.900 -0.193 0.000 1.224 10 G CA -0.949 44.058 45.100 -0.155 0.000 1.109 10 G HN 0.563 nan 8.290 nan 0.000 0.519 11 L N 1.798 122.895 121.223 -0.209 0.000 3.154 11 L HA 0.557 4.897 4.340 -0.000 0.000 0.266 11 L C 1.398 178.133 176.870 -0.225 0.000 1.300 11 L CA 0.186 54.843 54.840 -0.305 0.000 1.028 11 L CB 0.148 41.999 42.059 -0.348 0.000 1.412 11 L HN 0.847 nan 8.230 nan 0.000 0.564 12 A N 0.057 122.783 122.820 -0.156 0.000 2.529 12 A HA 0.293 4.613 4.320 -0.000 0.000 0.269 12 A C 1.418 178.935 177.584 -0.111 0.000 1.509 12 A CA 0.269 52.240 52.037 -0.109 0.000 0.857 12 A CB 0.228 19.184 19.000 -0.073 0.000 1.531 12 A HN -0.034 nan 8.150 nan 0.000 0.541 13 V N -0.529 119.341 119.914 -0.073 0.000 2.252 13 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 13 V C 2.271 178.323 176.094 -0.069 0.000 1.056 13 V CA 2.871 65.136 62.300 -0.059 0.000 1.022 13 V CB -0.683 31.116 31.823 -0.039 0.000 0.641 13 V HN 0.657 nan 8.190 nan 0.000 0.445 14 M N 0.342 119.899 119.600 -0.071 0.000 2.086 14 M HA -0.024 4.456 4.480 -0.000 0.000 0.261 14 M C 2.344 178.588 176.300 -0.093 0.000 1.067 14 M CA 2.052 57.308 55.300 -0.073 0.000 1.116 14 M CB -2.204 30.357 32.600 -0.065 0.000 1.348 14 M HN 0.498 nan 8.290 nan 0.000 0.407 15 G N -0.339 108.390 108.800 -0.119 0.000 2.433 15 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 15 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 15 G C 1.525 176.307 174.900 -0.196 0.000 1.186 15 G CA 0.447 45.456 45.100 -0.153 0.000 0.779 15 G HN 0.499 nan 8.290 nan 0.000 0.543 16 Q N 0.190 119.824 119.800 -0.276 0.000 2.045 16 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 16 Q C 2.574 178.558 176.000 -0.025 0.000 0.991 16 Q CA 1.353 56.961 55.803 -0.326 0.000 0.851 16 Q CB -0.266 28.319 28.738 -0.254 0.000 0.911 16 Q HN 0.446 nan 8.270 nan 0.000 0.418 17 N N 0.564 119.240 118.700 -0.040 0.000 2.166 17 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 17 N C 1.855 177.339 175.510 -0.043 0.000 1.019 17 N CA 0.759 53.788 53.050 -0.034 0.000 0.856 17 N CB -0.127 38.325 38.487 -0.058 0.000 0.993 17 N HN 0.115 nan 8.380 nan 0.000 0.426 18 L N 1.574 122.766 121.223 -0.052 0.000 2.093 18 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 18 L C 2.059 178.926 176.870 -0.005 0.000 1.085 18 L CA 0.949 55.758 54.840 -0.052 0.000 0.755 18 L CB -0.314 41.696 42.059 -0.082 0.000 0.904 18 L HN 0.076 nan 8.230 nan 0.000 0.435 19 I N -1.158 119.428 120.570 0.027 0.000 2.179 19 I HA -0.347 3.823 4.170 -0.000 0.000 0.242 19 I C 2.273 178.469 176.117 0.131 0.000 1.088 19 I CA 1.409 62.771 61.300 0.102 0.000 1.357 19 I CB -0.344 37.767 38.000 0.186 0.000 1.051 19 I HN 0.218 nan 8.210 nan 0.000 0.409 20 L N 0.430 121.732 121.223 0.133 0.000 2.079 20 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 20 L C 2.429 179.322 176.870 0.038 0.000 1.081 20 L CA 1.151 56.034 54.840 0.071 0.000 0.752 20 L CB -0.907 41.172 42.059 0.033 0.000 0.896 20 L HN 0.385 nan 8.230 nan 0.000 0.433 21 N N 0.865 119.581 118.700 0.027 0.000 2.043 21 N HA -0.205 4.534 4.740 -0.000 0.000 0.193 21 N C 1.918 177.577 175.510 0.249 0.000 1.037 21 N CA 1.862 54.964 53.050 0.087 0.000 0.851 21 N CB -0.142 38.366 38.487 0.035 0.000 1.027 21 N HN 0.231 nan 8.380 nan 0.000 0.422 22 M N 0.114 119.832 119.600 0.198 0.000 2.159 22 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 22 M C 1.940 178.440 176.300 0.332 0.000 1.063 22 M CA 1.457 56.946 55.300 0.315 0.000 1.110 22 M CB -0.402 32.315 32.600 0.194 0.000 1.374 22 M HN 0.235 nan 8.290 nan 0.000 0.411 23 N N 0.683 119.497 118.700 0.189 0.000 2.069 23 N HA -0.206 4.534 4.740 -0.000 0.000 0.191 23 N C 1.041 176.582 175.510 0.052 0.000 1.031 23 N CA 1.830 54.948 53.050 0.113 0.000 0.852 23 N CB -0.018 38.509 38.487 0.067 0.000 1.018 23 N HN 0.184 nan 8.380 nan 0.000 0.423 24 D N -1.244 119.177 120.400 0.035 0.000 2.310 24 D HA -0.082 4.558 4.640 -0.000 0.000 0.212 24 D C 0.681 176.864 176.300 -0.196 0.000 0.965 24 D CA 0.989 54.941 54.000 -0.080 0.000 0.879 24 D CB -0.256 40.480 40.800 -0.107 0.000 0.921 24 D HN 0.562 nan 8.370 nan 0.000 0.510 25 H N -1.368 117.687 119.070 -0.024 0.000 2.517 25 H HA 0.362 4.918 4.556 -0.000 0.000 0.282 25 H C 1.458 176.524 175.328 -0.436 0.000 1.023 25 H CA 0.503 56.477 56.048 -0.124 0.000 1.169 25 H CB 0.579 30.366 29.762 0.042 0.000 1.454 25 H HN 0.137 nan 8.280 nan 0.000 0.556 26 G N -0.259 108.396 108.800 -0.242 0.000 2.176 26 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.232 26 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.232 26 G C -0.168 174.541 174.900 -0.317 0.000 0.986 26 G CA -0.391 44.524 45.100 -0.308 0.000 0.643 26 G HN 0.177 nan 8.290 nan 0.000 0.522 27 F N 0.780 120.767 119.950 0.061 0.000 2.396 27 F HA 0.574 5.101 4.527 -0.000 0.000 0.343 27 F C 0.906 176.730 175.800 0.040 0.000 1.104 27 F CA -0.960 57.069 58.000 0.049 0.000 1.161 27 F CB 1.596 40.629 39.000 0.055 0.000 1.146 27 F HN -0.049 nan 8.300 nan 0.000 0.522 28 V N 4.704 124.748 119.914 0.215 0.000 2.432 28 V HA 0.324 4.444 4.120 -0.000 0.000 0.271 28 V C -0.103 176.069 176.094 0.130 0.000 1.046 28 V CA -0.526 61.852 62.300 0.131 0.000 0.945 28 V CB 0.999 32.873 31.823 0.086 0.000 0.992 28 V HN 0.503 nan 8.190 nan 0.000 0.471 29 V N 4.501 124.483 119.914 0.115 0.000 2.555 29 V HA 0.348 4.468 4.120 -0.000 0.000 0.302 29 V C -0.076 176.075 176.094 0.096 0.000 1.038 29 V CA -0.613 61.750 62.300 0.105 0.000 0.887 29 V CB 1.854 33.749 31.823 0.120 0.000 0.991 29 V HN 0.971 nan 8.190 nan 0.000 0.434 30 C N 5.405 124.753 119.300 0.080 0.000 2.255 30 C HA 0.813 5.273 4.460 -0.000 0.000 0.326 30 C C 0.759 175.814 174.990 0.109 0.000 1.258 30 C CA -0.480 58.589 59.018 0.085 0.000 1.676 30 C CB -0.573 27.198 27.740 0.051 0.000 2.314 30 C HN 1.050 nan 8.230 nan 0.000 0.509 31 A N 5.767 128.680 122.820 0.155 0.000 2.309 31 A HA 0.810 5.130 4.320 -0.000 0.000 0.298 31 A C -0.911 176.817 177.584 0.240 0.000 1.165 31 A CA -0.216 51.922 52.037 0.168 0.000 0.821 31 A CB 0.418 19.558 19.000 0.233 0.000 1.102 31 A HN 0.935 nan 8.150 nan 0.000 0.500 32 F N 1.405 121.340 119.950 -0.025 0.000 2.626 32 F HA 0.683 5.210 4.527 -0.000 0.000 0.311 32 F C -0.678 175.090 175.800 -0.053 0.000 1.088 32 F CA -0.966 57.020 58.000 -0.023 0.000 0.949 32 F CB 2.237 41.219 39.000 -0.029 0.000 1.322 32 F HN 0.675 nan 8.300 nan 0.000 0.461 33 N N 1.583 119.733 118.700 -0.917 0.000 2.598 33 N HA 0.307 5.047 4.740 -0.000 0.000 0.263 33 N C 0.231 175.325 175.510 -0.693 0.000 1.254 33 N CA -0.602 52.094 53.050 -0.589 0.000 0.863 33 N CB 1.971 40.273 38.487 -0.309 0.000 1.586 33 N HN 0.667 nan 8.380 nan 0.000 0.491 34 R N 0.451 120.834 120.500 -0.195 0.000 2.097 34 R HA -0.048 4.291 4.340 -0.000 0.000 0.236 34 R C -0.251 175.966 176.300 -0.139 0.000 1.135 34 R CA 1.684 57.746 56.100 -0.064 0.000 0.934 34 R CB -0.616 29.715 30.300 0.051 0.000 0.846 34 R HN 0.624 nan 8.270 nan 0.000 0.431 35 T N 1.611 116.095 114.554 -0.117 0.000 2.848 35 T HA 0.132 4.481 4.350 -0.000 0.000 0.283 35 T C 1.104 175.732 174.700 -0.120 0.000 0.919 35 T CA -0.331 61.715 62.100 -0.089 0.000 1.071 35 T CB 1.404 70.237 68.868 -0.058 0.000 0.912 35 T HN 0.042 nan 8.240 nan 0.000 0.570 36 V N 3.012 122.865 119.914 -0.101 0.000 2.594 36 V HA -0.186 3.934 4.120 -0.000 0.000 0.253 36 V C 2.747 178.830 176.094 -0.019 0.000 1.069 36 V CA 1.875 64.126 62.300 -0.081 0.000 1.082 36 V CB -0.891 30.947 31.823 0.025 0.000 0.680 36 V HN 0.977 nan 8.190 nan 0.000 0.469 37 S N 0.710 116.405 115.700 -0.008 0.000 2.387 37 S HA -0.313 4.157 4.470 -0.000 0.000 0.230 37 S C 1.947 176.556 174.600 0.015 0.000 1.035 37 S CA 1.805 60.011 58.200 0.011 0.000 1.014 37 S CB -0.510 62.694 63.200 0.007 0.000 0.836 37 S HN 0.660 nan 8.310 nan 0.000 0.466 38 K N 0.510 120.904 120.400 -0.009 0.000 2.209 38 K HA 0.029 4.349 4.320 -0.000 0.000 0.204 38 K C 2.055 178.680 176.600 0.041 0.000 1.048 38 K CA 1.141 57.428 56.287 -0.001 0.000 0.940 38 K CB -0.425 32.046 32.500 -0.049 0.000 0.729 38 K HN 0.334 nan 8.250 nan 0.000 0.451 39 V N 2.234 122.168 119.914 0.034 0.000 2.295 39 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 39 V C 1.703 177.891 176.094 0.156 0.000 1.049 39 V CA 1.945 64.311 62.300 0.110 0.000 1.024 39 V CB -0.380 31.508 31.823 0.109 0.000 0.648 39 V HN 0.311 nan 8.190 nan 0.000 0.447 40 D N -0.028 120.434 120.400 0.102 0.000 2.117 40 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 40 D C 1.859 178.209 176.300 0.083 0.000 0.982 40 D CA 1.381 55.431 54.000 0.083 0.000 0.828 40 D CB -0.415 40.420 40.800 0.059 0.000 0.967 40 D HN 0.415 nan 8.370 nan 0.000 0.464 41 D N 0.363 120.817 120.400 0.089 0.000 2.123 41 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 41 D C 1.826 178.210 176.300 0.139 0.000 0.992 41 D CA 0.508 54.561 54.000 0.090 0.000 0.833 41 D CB -0.537 40.310 40.800 0.079 0.000 0.954 41 D HN 0.154 nan 8.370 nan 0.000 0.455 42 F N 1.217 121.167 119.950 -0.001 0.000 2.102 42 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 42 F C 2.177 177.979 175.800 0.004 0.000 1.105 42 F CA 0.993 58.992 58.000 -0.001 0.000 1.239 42 F CB -0.545 38.454 39.000 -0.002 0.000 0.991 42 F HN -0.113 nan 8.300 nan 0.000 0.474 43 L N -0.403 120.806 121.223 -0.025 0.000 2.201 43 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 43 L C 2.447 179.247 176.870 -0.116 0.000 1.105 43 L CA 1.045 55.802 54.840 -0.138 0.000 0.775 43 L CB -0.786 41.265 42.059 -0.014 0.000 0.913 43 L HN 0.245 nan 8.230 nan 0.000 0.440 44 A N -1.239 121.549 122.820 -0.053 0.000 2.132 44 A HA 0.020 4.340 4.320 -0.000 0.000 0.213 44 A C 1.672 179.227 177.584 -0.048 0.000 1.154 44 A CA 0.481 52.495 52.037 -0.038 0.000 0.753 44 A CB -0.057 18.941 19.000 -0.004 0.000 0.826 44 A HN 0.379 nan 8.150 nan 0.000 0.469 45 N N -0.774 117.887 118.700 -0.065 0.000 2.690 45 N HA 0.024 4.764 4.740 -0.000 0.000 0.187 45 N C 1.129 176.577 175.510 -0.103 0.000 1.295 45 N CA 0.551 53.572 53.050 -0.049 0.000 1.100 45 N CB -0.318 38.176 38.487 0.011 0.000 1.336 45 N HN 0.171 nan 8.380 nan 0.000 0.458 46 E N 1.623 121.766 120.200 -0.096 0.000 2.160 46 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 46 E C 0.999 177.405 176.600 -0.323 0.000 0.991 46 E CA 1.190 57.519 56.400 -0.117 0.000 0.810 46 E CB -0.128 29.633 29.700 0.101 0.000 0.742 46 E HN 0.425 nan 8.360 nan 0.000 0.466 47 A N 0.219 122.648 122.820 -0.652 0.000 2.415 47 A HA 0.163 4.483 4.320 -0.000 0.000 0.248 47 A C 1.543 178.939 177.584 -0.312 0.000 1.299 47 A CA -0.080 51.596 52.037 -0.602 0.000 0.899 47 A CB -0.077 18.318 19.000 -1.010 0.000 0.997 47 A HN -0.026 nan 8.150 nan 0.000 0.506 48 K N 0.647 120.917 120.400 -0.216 0.000 2.074 48 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 48 K C 1.299 177.841 176.600 -0.096 0.000 1.048 48 K CA 1.952 58.161 56.287 -0.128 0.000 0.926 48 K CB -0.420 32.028 32.500 -0.086 0.000 0.713 48 K HN 0.352 nan 8.250 nan 0.000 0.444 49 G N 0.175 108.920 108.800 -0.091 0.000 4.098 49 G HA2 0.179 4.139 3.960 -0.000 0.000 0.300 49 G HA3 0.179 4.139 3.960 -0.000 0.000 0.300 49 G C -0.390 174.473 174.900 -0.062 0.000 1.187 49 G CA 0.118 45.180 45.100 -0.064 0.000 0.964 49 G HN 0.423 nan 8.290 nan 0.000 0.559 50 T N -3.547 110.962 114.554 -0.076 0.000 2.883 50 T HA 0.441 4.791 4.350 -0.000 0.000 0.284 50 T C 0.762 175.437 174.700 -0.041 0.000 1.041 50 T CA -0.796 61.267 62.100 -0.062 0.000 1.007 50 T CB 1.974 70.790 68.868 -0.086 0.000 1.220 50 T HN -0.023 nan 8.240 nan 0.000 0.552 51 K N 0.320 120.708 120.400 -0.020 0.000 2.458 51 K HA 0.281 4.601 4.320 -0.000 0.000 0.194 51 K C 0.144 176.752 176.600 0.014 0.000 1.024 51 K CA -0.182 56.104 56.287 -0.002 0.000 1.108 51 K CB -0.008 32.497 32.500 0.009 0.000 0.846 51 K HN 0.312 nan 8.250 nan 0.000 0.518 52 V N 2.834 122.750 119.914 0.004 0.000 2.655 52 V HA -0.004 4.115 4.120 -0.000 0.000 0.300 52 V C 0.368 176.482 176.094 0.034 0.000 1.044 52 V CA -0.330 61.990 62.300 0.034 0.000 1.095 52 V CB 0.760 32.594 31.823 0.018 0.000 0.952 52 V HN 0.067 nan 8.190 nan 0.000 0.485 53 V N 2.562 122.514 119.914 0.063 0.000 2.919 53 V HA 1.054 5.174 4.120 -0.000 0.000 0.316 53 V C 0.286 176.437 176.094 0.096 0.000 1.077 53 V CA -0.305 62.031 62.300 0.061 0.000 0.977 53 V CB 1.641 33.493 31.823 0.048 0.000 1.039 53 V HN 0.901 nan 8.190 nan 0.000 0.441 54 G N 0.603 109.461 108.800 0.097 0.000 2.489 54 G HA2 0.869 4.829 3.960 -0.000 0.000 0.327 54 G HA3 0.869 4.829 3.960 -0.000 0.000 0.327 54 G C -0.763 174.211 174.900 0.122 0.000 1.189 54 G CA -0.432 44.751 45.100 0.138 0.000 0.962 54 G HN 1.558 nan 8.290 nan 0.000 0.486 55 A N -0.033 122.894 122.820 0.179 0.000 2.413 55 A HA 0.676 4.996 4.320 -0.000 0.000 0.307 55 A C 0.257 177.990 177.584 0.249 0.000 1.087 55 A CA -0.580 51.528 52.037 0.119 0.000 0.750 55 A CB 1.842 20.811 19.000 -0.052 0.000 1.296 55 A HN 0.456 nan 8.150 nan 0.000 0.423 56 Q N 0.177 120.071 119.800 0.157 0.000 2.282 56 Q HA 0.169 4.509 4.340 -0.000 0.000 0.206 56 Q C 0.188 176.353 176.000 0.276 0.000 0.878 56 Q CA 0.907 56.853 55.803 0.240 0.000 0.944 56 Q CB 0.541 29.358 28.738 0.132 0.000 1.100 56 Q HN 0.935 nan 8.270 nan 0.000 0.509 57 S N -2.210 113.486 115.700 -0.006 0.000 2.588 57 S HA 0.399 4.869 4.470 -0.000 0.000 0.269 57 S C 0.520 174.690 174.600 -0.716 0.000 1.157 57 S CA -0.753 57.338 58.200 -0.182 0.000 0.824 57 S CB 0.507 63.684 63.200 -0.039 0.000 1.126 57 S HN 0.036 nan 8.310 nan 0.000 0.464 58 L N 1.121 121.998 121.223 -0.577 0.000 2.046 58 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 58 L C 2.779 179.494 176.870 -0.258 0.000 1.077 58 L CA 1.766 56.327 54.840 -0.465 0.000 0.747 58 L CB -0.541 41.453 42.059 -0.108 0.000 0.896 58 L HN 0.906 nan 8.230 nan 0.000 0.432 59 K N 0.320 120.629 120.400 -0.152 0.000 2.020 59 K HA -0.290 4.030 4.320 -0.000 0.000 0.212 59 K C 2.098 178.637 176.600 -0.103 0.000 1.050 59 K CA 2.053 58.285 56.287 -0.092 0.000 0.929 59 K CB -0.097 32.371 32.500 -0.053 0.000 0.714 59 K HN 0.260 nan 8.250 nan 0.000 0.443 60 E N 0.256 120.381 120.200 -0.125 0.000 2.077 60 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 60 E C 2.081 178.612 176.600 -0.115 0.000 0.989 60 E CA 1.258 57.599 56.400 -0.099 0.000 0.800 60 E CB -0.086 29.566 29.700 -0.080 0.000 0.746 60 E HN 0.383 nan 8.360 nan 0.000 0.452 61 M N 0.446 119.923 119.600 -0.204 0.000 2.086 61 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 61 M C 2.155 178.392 176.300 -0.105 0.000 1.067 61 M CA 1.416 56.611 55.300 -0.176 0.000 1.116 61 M CB 0.010 32.421 32.600 -0.314 0.000 1.348 61 M HN 0.094 nan 8.290 nan 0.000 0.407 62 V N 0.552 120.402 119.914 -0.107 0.000 2.407 62 V HA -0.240 3.879 4.120 -0.000 0.000 0.248 62 V C 2.544 178.611 176.094 -0.044 0.000 1.055 62 V CA 2.034 64.296 62.300 -0.063 0.000 1.049 62 V CB -1.093 30.698 31.823 -0.053 0.000 0.662 62 V HN 0.745 nan 8.190 nan 0.000 0.455 63 S N -0.110 115.563 115.700 -0.046 0.000 2.447 63 S HA -0.155 4.314 4.470 -0.000 0.000 0.233 63 S C 1.757 176.344 174.600 -0.021 0.000 1.006 63 S CA 1.037 59.219 58.200 -0.030 0.000 0.957 63 S CB -0.391 62.791 63.200 -0.029 0.000 0.773 63 S HN 0.654 nan 8.310 nan 0.000 0.507 64 K N 0.448 120.834 120.400 -0.022 0.000 2.487 64 K HA 0.298 4.618 4.320 -0.000 0.000 0.192 64 K C -0.051 176.548 176.600 -0.003 0.000 1.027 64 K CA 0.032 56.314 56.287 -0.009 0.000 1.054 64 K CB -0.067 32.430 32.500 -0.004 0.000 0.824 64 K HN 0.415 nan 8.250 nan 0.000 0.510 65 L N 2.009 123.226 121.223 -0.009 0.000 2.312 65 L HA 0.190 4.530 4.340 -0.000 0.000 0.281 65 L C 0.050 176.917 176.870 -0.005 0.000 1.070 65 L CA -0.570 54.266 54.840 -0.006 0.000 0.805 65 L CB 1.036 43.087 42.059 -0.014 0.000 1.174 65 L HN -0.040 nan 8.230 nan 0.000 0.434 66 K N 1.791 122.192 120.400 0.002 0.000 2.326 66 K HA 0.157 4.477 4.320 -0.000 0.000 0.275 66 K C -0.377 176.216 176.600 -0.012 0.000 1.018 66 K CA -0.431 55.857 56.287 0.001 0.000 0.962 66 K CB 0.733 33.241 32.500 0.014 0.000 0.953 66 K HN 0.256 nan 8.250 nan 0.000 0.475 67 K N 2.608 122.997 120.400 -0.017 0.000 2.143 67 K HA 0.261 4.581 4.320 -0.000 0.000 0.272 67 K C -2.134 174.441 176.600 -0.041 0.000 1.001 67 K CA -1.569 54.697 56.287 -0.035 0.000 0.915 67 K CB 0.374 32.854 32.500 -0.033 0.000 1.047 67 K HN 0.611 nan 8.250 nan 0.000 0.458 68 P HA 0.150 nan 4.420 nan 0.000 0.271 68 P C -0.563 176.683 177.300 -0.090 0.000 1.226 68 P CA -0.225 62.797 63.100 -0.129 0.000 0.765 68 P CB 0.408 31.938 31.700 -0.284 0.000 0.835 69 R N 2.952 123.413 120.500 -0.065 0.000 2.570 69 R HA 0.196 4.536 4.340 -0.000 0.000 0.277 69 R C 0.485 176.758 176.300 -0.044 0.000 1.039 69 R CA 0.128 56.202 56.100 -0.042 0.000 1.065 69 R CB 0.461 30.743 30.300 -0.031 0.000 0.964 69 R HN 0.452 nan 8.270 nan 0.000 0.428 70 R N 2.798 123.279 120.500 -0.031 0.000 2.409 70 R HA 0.392 4.732 4.340 -0.000 0.000 0.313 70 R C -0.909 175.383 176.300 -0.013 0.000 0.953 70 R CA -0.592 55.492 56.100 -0.027 0.000 0.849 70 R CB 1.295 31.577 30.300 -0.030 0.000 1.171 70 R HN 0.409 nan 8.270 nan 0.000 0.458 71 I N 4.189 124.753 120.570 -0.009 0.000 2.436 71 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 71 I C -0.340 175.773 176.117 -0.007 0.000 1.010 71 I CA -0.384 60.911 61.300 -0.008 0.000 1.098 71 I CB 1.925 39.920 38.000 -0.007 0.000 1.266 71 I HN 0.431 nan 8.210 nan 0.000 0.434 72 I N 6.434 126.998 120.570 -0.009 0.000 2.359 72 I HA 0.386 4.556 4.170 -0.000 0.000 0.294 72 I C -0.641 175.449 176.117 -0.044 0.000 0.987 72 I CA -0.587 60.709 61.300 -0.007 0.000 1.225 72 I CB 1.133 39.137 38.000 0.006 0.000 1.366 72 I HN 0.280 nan 8.210 nan 0.000 0.466 73 L N 7.433 128.637 121.223 -0.032 0.000 2.280 73 L HA 0.460 4.800 4.340 -0.000 0.000 0.287 73 L C -0.410 176.446 176.870 -0.024 0.000 1.023 73 L CA -0.376 54.432 54.840 -0.054 0.000 0.819 73 L CB 1.198 43.260 42.059 0.006 0.000 1.212 73 L HN 0.517 nan 8.230 nan 0.000 0.420 74 L N 5.790 126.980 121.223 -0.054 0.000 2.732 74 L HA 0.343 4.683 4.340 -0.000 0.000 0.246 74 L C -0.269 176.582 176.870 -0.032 0.000 1.407 74 L CA -0.392 54.426 54.840 -0.036 0.000 0.861 74 L CB 1.127 43.151 42.059 -0.059 0.000 1.161 74 L HN 0.431 nan 8.230 nan 0.000 0.510 75 V N -2.389 117.531 119.914 0.009 0.000 3.103 75 V HA 0.491 4.611 4.120 -0.000 0.000 0.318 75 V C 0.157 176.284 176.094 0.055 0.000 1.114 75 V CA -1.298 61.028 62.300 0.042 0.000 1.020 75 V CB 1.844 33.740 31.823 0.123 0.000 1.085 75 V HN 0.399 nan 8.190 nan 0.000 0.446 76 K N 1.751 122.183 120.400 0.053 0.000 2.504 76 K HA 0.286 4.606 4.320 -0.000 0.000 0.278 76 K C 0.461 177.103 176.600 0.071 0.000 1.025 76 K CA 0.558 56.874 56.287 0.049 0.000 1.093 76 K CB 0.117 32.641 32.500 0.041 0.000 0.873 76 K HN 1.233 nan 8.250 nan 0.000 0.483 77 A N 3.812 126.677 122.820 0.075 0.000 2.507 77 A HA 0.460 4.780 4.320 -0.000 0.000 0.235 77 A C 0.891 178.529 177.584 0.090 0.000 1.070 77 A CA 0.666 52.758 52.037 0.092 0.000 0.768 77 A CB -0.144 18.944 19.000 0.147 0.000 1.011 77 A HN 1.133 nan 8.150 nan 0.000 0.502 78 G N -0.024 108.814 108.800 0.062 0.000 2.395 78 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.201 78 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.201 78 G C 0.652 175.567 174.900 0.024 0.000 1.206 78 G CA 0.711 45.832 45.100 0.036 0.000 1.210 78 G HN 1.043 nan 8.290 nan 0.000 0.557 79 Q N 0.547 120.354 119.800 0.012 0.000 2.124 79 Q HA 0.203 4.543 4.340 -0.000 0.000 0.202 79 Q C 2.909 178.910 176.000 0.002 0.000 0.977 79 Q CA 3.383 59.183 55.803 -0.004 0.000 0.850 79 Q CB -0.860 27.868 28.738 -0.017 0.000 0.901 79 Q HN 1.523 nan 8.270 nan 0.000 0.429 80 A N -0.563 122.269 122.820 0.020 0.000 1.927 80 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 80 A C 2.255 179.922 177.584 0.139 0.000 1.185 80 A CA 1.940 53.997 52.037 0.035 0.000 0.639 80 A CB -0.965 18.091 19.000 0.093 0.000 0.820 80 A HN 0.287 nan 8.150 nan 0.000 0.451 81 V N 0.413 120.423 119.914 0.161 0.000 2.307 81 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 81 V C 2.175 178.372 176.094 0.171 0.000 1.045 81 V CA 2.185 64.616 62.300 0.219 0.000 1.024 81 V CB -0.777 31.151 31.823 0.175 0.000 0.651 81 V HN 0.521 nan 8.190 nan 0.000 0.449 82 D N 0.048 120.492 120.400 0.074 0.000 2.144 82 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 82 D C 1.884 178.197 176.300 0.022 0.000 0.984 82 D CA 1.419 55.435 54.000 0.027 0.000 0.834 82 D CB -0.305 40.486 40.800 -0.015 0.000 0.955 82 D HN 0.418 nan 8.370 nan 0.000 0.465 83 D N 0.090 120.478 120.400 -0.019 0.000 2.106 83 D HA -0.157 4.482 4.640 -0.000 0.000 0.191 83 D C 1.996 178.247 176.300 -0.081 0.000 0.997 83 D CA 0.744 54.680 54.000 -0.107 0.000 0.834 83 D CB -0.516 40.139 40.800 -0.243 0.000 0.956 83 D HN 0.210 nan 8.370 nan 0.000 0.448 84 F N 0.674 120.657 119.950 0.054 0.000 2.146 84 F HA 0.006 4.532 4.527 -0.000 0.000 0.298 84 F C 2.445 178.286 175.800 0.068 0.000 1.096 84 F CA 0.334 58.379 58.000 0.075 0.000 1.275 84 F CB -0.504 38.553 39.000 0.096 0.000 1.008 84 F HN -0.062 nan 8.300 nan 0.000 0.480 85 I N -0.242 120.475 120.570 0.245 0.000 2.208 85 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 85 I C 2.403 178.576 176.117 0.094 0.000 1.097 85 I CA 1.566 62.959 61.300 0.154 0.000 1.363 85 I CB -0.447 37.606 38.000 0.088 0.000 1.051 85 I HN 0.137 nan 8.210 nan 0.000 0.413 86 E N 0.626 120.863 120.200 0.061 0.000 2.085 86 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 86 E C 2.322 178.946 176.600 0.040 0.000 0.994 86 E CA 1.481 57.898 56.400 0.029 0.000 0.801 86 E CB 0.178 29.879 29.700 0.002 0.000 0.743 86 E HN 0.168 nan 8.360 nan 0.000 0.453 87 K N -0.404 120.034 120.400 0.065 0.000 2.228 87 K HA 0.046 4.366 4.320 -0.000 0.000 0.202 87 K C 2.024 178.674 176.600 0.083 0.000 1.051 87 K CA 0.597 56.927 56.287 0.071 0.000 0.960 87 K CB -0.224 32.332 32.500 0.093 0.000 0.743 87 K HN 0.251 nan 8.250 nan 0.000 0.458 88 L N -0.228 121.061 121.223 0.109 0.000 2.095 88 L HA -0.037 4.302 4.340 -0.000 0.000 0.204 88 L C 2.340 179.242 176.870 0.055 0.000 1.080 88 L CA 0.646 55.538 54.840 0.087 0.000 0.759 88 L CB -0.493 41.633 42.059 0.112 0.000 0.914 88 L HN 0.038 nan 8.230 nan 0.000 0.439 89 V N 0.987 120.933 119.914 0.053 0.000 2.278 89 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 89 V C -0.263 175.844 176.094 0.021 0.000 1.062 89 V CA 2.332 64.653 62.300 0.035 0.000 1.038 89 V CB -1.244 30.595 31.823 0.027 0.000 0.646 89 V HN 0.360 nan 8.190 nan 0.000 0.447 90 P HA -0.061 nan 4.420 nan 0.000 0.223 90 P C 1.540 178.845 177.300 0.007 0.000 1.151 90 P CA 1.175 64.282 63.100 0.011 0.000 0.787 90 P CB -0.031 31.675 31.700 0.010 0.000 0.788 91 L N -2.313 118.916 121.223 0.010 0.000 2.509 91 L HA 0.104 4.444 4.340 -0.000 0.000 0.222 91 L C 1.124 177.993 176.870 -0.002 0.000 1.123 91 L CA 0.121 54.961 54.840 0.001 0.000 0.856 91 L CB -0.253 41.804 42.059 -0.002 0.000 0.985 91 L HN -0.048 nan 8.230 nan 0.000 0.456 92 L N -0.877 120.348 121.223 0.004 0.000 2.387 92 L HA 0.371 4.711 4.340 -0.000 0.000 0.266 92 L C -0.571 176.296 176.870 -0.005 0.000 1.059 92 L CA -0.765 54.075 54.840 -0.000 0.000 0.801 92 L CB 1.071 43.135 42.059 0.009 0.000 1.223 92 L HN -0.083 nan 8.230 nan 0.000 0.456 93 D N -0.558 119.835 120.400 -0.012 0.000 2.272 93 D HA 0.219 4.859 4.640 -0.000 0.000 0.247 93 D C -0.356 175.933 176.300 -0.018 0.000 0.990 93 D CA -0.403 53.588 54.000 -0.015 0.000 0.931 93 D CB 1.608 42.395 40.800 -0.021 0.000 1.195 93 D HN 0.351 nan 8.370 nan 0.000 0.477 94 T N 0.194 114.737 114.554 -0.018 0.000 2.866 94 T HA 0.357 4.707 4.350 -0.000 0.000 0.293 94 T C 1.256 175.934 174.700 -0.037 0.000 1.005 94 T CA 1.432 63.520 62.100 -0.020 0.000 1.162 94 T CB 0.220 69.078 68.868 -0.016 0.000 0.968 94 T HN 0.635 nan 8.240 nan 0.000 0.530 95 G N 3.655 112.429 108.800 -0.044 0.000 2.194 95 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.236 95 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.236 95 G C -0.027 174.803 174.900 -0.116 0.000 0.987 95 G CA -0.182 44.867 45.100 -0.086 0.000 0.635 95 G HN 0.667 nan 8.290 nan 0.000 0.520 96 D N 0.127 120.485 120.400 -0.070 0.000 2.360 96 D HA 0.578 5.218 4.640 -0.000 0.000 0.242 96 D C 0.826 177.102 176.300 -0.040 0.000 1.184 96 D CA 0.359 54.321 54.000 -0.062 0.000 0.930 96 D CB 0.851 41.632 40.800 -0.031 0.000 1.161 96 D HN 0.336 nan 8.370 nan 0.000 0.447 97 I N 1.427 121.976 120.570 -0.035 0.000 2.478 97 I HA 0.328 4.497 4.170 -0.000 0.000 0.287 97 I C -0.465 175.652 176.117 -0.001 0.000 1.042 97 I CA -0.561 60.727 61.300 -0.021 0.000 1.067 97 I CB 1.579 39.545 38.000 -0.057 0.000 1.233 97 I HN 0.038 nan 8.210 nan 0.000 0.431 98 I N 6.965 127.552 120.570 0.028 0.000 2.406 98 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 98 I C -0.640 175.368 176.117 -0.182 0.000 0.999 98 I CA -0.566 60.747 61.300 0.022 0.000 1.124 98 I CB 2.022 40.141 38.000 0.199 0.000 1.289 98 I HN 0.387 nan 8.210 nan 0.000 0.441 99 I N 4.926 125.403 120.570 -0.155 0.000 2.390 99 I HA 0.196 4.366 4.170 -0.000 0.000 0.283 99 I C -0.524 175.505 176.117 -0.146 0.000 1.016 99 I CA -0.418 60.752 61.300 -0.217 0.000 1.151 99 I CB 1.300 39.283 38.000 -0.027 0.000 1.293 99 I HN 0.456 nan 8.210 nan 0.000 0.458 100 D N 4.980 125.231 120.400 -0.248 0.000 2.365 100 D HA 0.263 4.902 4.640 -0.000 0.000 0.237 100 D C 1.041 177.412 176.300 0.119 0.000 1.190 100 D CA -0.145 53.872 54.000 0.029 0.000 0.867 100 D CB 1.500 42.442 40.800 0.238 0.000 1.050 100 D HN 0.670 nan 8.370 nan 0.000 0.491 101 G N 2.629 111.490 108.800 0.102 0.000 3.088 101 G HA2 0.252 4.212 3.960 -0.000 0.000 0.217 101 G HA3 0.252 4.212 3.960 -0.000 0.000 0.217 101 G C 0.799 175.767 174.900 0.115 0.000 1.159 101 G CA 0.025 45.190 45.100 0.109 0.000 0.760 101 G HN 0.573 nan 8.290 nan 0.000 0.550 102 G N 0.153 109.012 108.800 0.098 0.000 2.653 102 G HA2 0.267 4.227 3.960 -0.000 0.000 0.265 102 G HA3 0.267 4.227 3.960 -0.000 0.000 0.265 102 G C -0.131 174.758 174.900 -0.019 0.000 1.237 102 G CA -0.647 44.475 45.100 0.036 0.000 0.946 102 G HN 0.076 nan 8.290 nan 0.000 0.522 103 N N 0.568 119.257 118.700 -0.019 0.000 3.050 103 N HA 0.197 4.937 4.740 -0.000 0.000 0.289 103 N C -0.166 175.376 175.510 0.054 0.000 1.209 103 N CA 0.067 53.112 53.050 -0.009 0.000 1.154 103 N CB 0.458 38.947 38.487 0.004 0.000 1.444 103 N HN 0.209 nan 8.380 nan 0.000 0.529 104 S N 0.288 115.818 115.700 -0.283 0.000 2.586 104 S HA 0.190 4.659 4.470 -0.000 0.000 0.274 104 S C 0.350 174.815 174.600 -0.225 0.000 1.281 104 S CA -0.737 57.320 58.200 -0.237 0.000 1.035 104 S CB 1.464 64.479 63.200 -0.308 0.000 0.962 104 S HN 0.355 nan 8.310 nan 0.000 0.512 105 E N 1.377 121.311 120.200 -0.444 0.000 2.417 105 E HA -0.052 4.298 4.350 -0.000 0.000 0.261 105 E C 0.506 176.969 176.600 -0.229 0.000 1.000 105 E CA 0.033 56.054 56.400 -0.632 0.000 0.919 105 E CB 0.196 29.300 29.700 -0.993 0.000 0.955 105 E HN 0.794 nan 8.360 nan 0.000 0.455 106 Y N 3.538 123.815 120.300 -0.039 0.000 2.256 106 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 106 Y C 1.786 177.719 175.900 0.055 0.000 1.155 106 Y CA 1.104 59.279 58.100 0.124 0.000 1.203 106 Y CB -0.294 38.355 38.460 0.316 0.000 0.980 106 Y HN 0.348 nan 8.280 nan 0.000 0.530 107 R N 0.523 120.575 120.500 -0.747 0.000 2.081 107 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 107 R C 1.740 177.897 176.300 -0.240 0.000 1.131 107 R CA 1.504 57.302 56.100 -0.504 0.000 0.960 107 R CB -0.390 29.565 30.300 -0.575 0.000 0.856 107 R HN 0.395 nan 8.270 nan 0.000 0.436 108 D N -0.255 120.002 120.400 -0.239 0.000 2.117 108 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 108 D C 1.764 178.026 176.300 -0.064 0.000 0.987 108 D CA 1.512 55.421 54.000 -0.151 0.000 0.829 108 D CB -0.225 40.477 40.800 -0.163 0.000 0.961 108 D HN 0.178 nan 8.370 nan 0.000 0.460 109 T N 0.075 114.657 114.554 0.047 0.000 2.708 109 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 109 T C 2.021 176.791 174.700 0.116 0.000 1.037 109 T CA 1.668 63.897 62.100 0.215 0.000 1.146 109 T CB -0.550 68.565 68.868 0.411 0.000 0.865 109 T HN 0.135 nan 8.240 nan 0.000 0.435 110 T N 1.720 116.323 114.554 0.082 0.000 2.720 110 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 110 T C 2.032 176.732 174.700 0.001 0.000 1.037 110 T CA 1.442 63.583 62.100 0.069 0.000 1.144 110 T CB -0.208 68.707 68.868 0.078 0.000 0.864 110 T HN 0.384 nan 8.240 nan 0.000 0.444 111 R N 0.941 121.410 120.500 -0.053 0.000 2.070 111 R HA -0.074 4.266 4.340 -0.000 0.000 0.233 111 R C 2.542 178.756 176.300 -0.144 0.000 1.137 111 R CA 1.499 57.548 56.100 -0.085 0.000 0.945 111 R CB -0.132 30.108 30.300 -0.101 0.000 0.845 111 R HN 0.289 nan 8.270 nan 0.000 0.430 112 R N -0.155 120.196 120.500 -0.249 0.000 2.091 112 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 112 R C 2.648 178.656 176.300 -0.486 0.000 1.136 112 R CA 1.578 57.385 56.100 -0.489 0.000 0.959 112 R CB -0.839 28.919 30.300 -0.903 0.000 0.856 112 R HN 0.381 nan 8.270 nan 0.000 0.437 113 C N 0.718 119.852 119.300 -0.277 0.000 2.413 113 C HA -0.092 4.368 4.460 -0.000 0.000 0.276 113 C C 2.566 177.562 174.990 0.010 0.000 1.236 113 C CA 0.992 60.019 59.018 0.015 0.000 1.735 113 C CB -0.671 27.184 27.740 0.191 0.000 2.031 113 C HN 0.407 nan 8.230 nan 0.000 0.474 114 R N 0.292 120.787 120.500 -0.010 0.000 2.075 114 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 114 R C 1.982 178.271 176.300 -0.020 0.000 1.126 114 R CA 2.054 58.155 56.100 0.002 0.000 0.963 114 R CB -0.567 29.736 30.300 0.005 0.000 0.858 114 R HN 0.673 nan 8.270 nan 0.000 0.435 115 D N 0.653 121.018 120.400 -0.058 0.000 2.097 115 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 115 D C 1.805 178.079 176.300 -0.044 0.000 0.989 115 D CA 1.210 55.176 54.000 -0.058 0.000 0.827 115 D CB 0.005 40.753 40.800 -0.086 0.000 0.966 115 D HN 0.108 nan 8.370 nan 0.000 0.456 116 L N -0.129 121.058 121.223 -0.060 0.000 2.093 116 L HA -0.090 4.249 4.340 -0.000 0.000 0.208 116 L C 2.625 179.507 176.870 0.021 0.000 1.085 116 L CA 0.966 55.797 54.840 -0.014 0.000 0.755 116 L CB -0.528 41.534 42.059 0.006 0.000 0.904 116 L HN 0.098 nan 8.230 nan 0.000 0.435 117 K N 0.898 121.315 120.400 0.030 0.000 2.032 117 K HA -0.220 4.099 4.320 -0.000 0.000 0.209 117 K C 2.101 178.713 176.600 0.020 0.000 1.048 117 K CA 1.596 57.905 56.287 0.037 0.000 0.927 117 K CB -0.145 32.382 32.500 0.045 0.000 0.712 117 K HN 0.257 nan 8.250 nan 0.000 0.441 118 A N 0.957 123.783 122.820 0.010 0.000 2.076 118 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 118 A C 1.466 179.052 177.584 0.004 0.000 1.160 118 A CA 1.478 53.519 52.037 0.005 0.000 0.653 118 A CB -0.197 18.803 19.000 -0.000 0.000 0.801 118 A HN 0.338 nan 8.150 nan 0.000 0.455 119 K N -1.606 118.796 120.400 0.004 0.000 2.397 119 K HA 0.286 4.605 4.320 -0.000 0.000 0.202 119 K C 0.905 177.509 176.600 0.007 0.000 1.022 119 K CA 0.391 56.680 56.287 0.004 0.000 1.141 119 K CB 0.186 32.688 32.500 0.002 0.000 0.857 119 K HN 0.575 nan 8.250 nan 0.000 0.514 120 G N 1.850 110.656 108.800 0.010 0.000 2.148 120 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.254 120 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.254 120 G C 0.039 174.946 174.900 0.011 0.000 0.981 120 G CA -0.047 45.057 45.100 0.008 0.000 0.670 120 G HN 0.260 nan 8.290 nan 0.000 0.528 121 I N 0.930 121.516 120.570 0.027 0.000 2.377 121 I HA 0.440 4.610 4.170 -0.000 0.000 0.293 121 I C 0.652 176.816 176.117 0.079 0.000 0.987 121 I CA -0.974 60.352 61.300 0.045 0.000 1.185 121 I CB 1.464 39.500 38.000 0.060 0.000 1.341 121 I HN -0.043 nan 8.210 nan 0.000 0.455 122 L N 6.508 127.772 121.223 0.068 0.000 2.278 122 L HA 0.334 4.674 4.340 -0.000 0.000 0.287 122 L C -0.679 176.284 176.870 0.155 0.000 1.072 122 L CA -0.162 54.731 54.840 0.088 0.000 0.819 122 L CB 0.281 42.355 42.059 0.025 0.000 1.176 122 L HN 0.435 nan 8.230 nan 0.000 0.435 123 F N 4.356 124.329 119.950 0.039 0.000 2.436 123 F HA 0.573 5.100 4.527 -0.000 0.000 0.340 123 F C -0.394 175.446 175.800 0.067 0.000 1.113 123 F CA -0.570 57.458 58.000 0.047 0.000 1.022 123 F CB 1.467 40.492 39.000 0.043 0.000 1.128 123 F HN 0.025 nan 8.300 nan 0.000 0.466 124 V N 5.087 124.655 119.914 -0.576 0.000 2.448 124 V HA 0.606 4.726 4.120 -0.000 0.000 0.295 124 V C 0.137 175.779 176.094 -0.754 0.000 1.025 124 V CA -0.748 61.297 62.300 -0.425 0.000 0.859 124 V CB 1.470 33.169 31.823 -0.207 0.000 0.988 124 V HN 0.950 nan 8.190 nan 0.000 0.431 125 G N 2.251 110.736 108.800 -0.525 0.000 2.415 125 G HA2 0.531 4.491 3.960 -0.000 0.000 0.317 125 G HA3 0.531 4.491 3.960 -0.000 0.000 0.317 125 G C -0.424 174.003 174.900 -0.789 0.000 1.152 125 G CA -0.280 44.481 45.100 -0.565 0.000 0.956 125 G HN 0.689 nan 8.290 nan 0.000 0.458 126 S N 1.837 117.218 115.700 -0.532 0.000 2.532 126 S HA 0.732 5.202 4.470 -0.000 0.000 0.299 126 S C 0.541 175.082 174.600 -0.098 0.000 1.105 126 S CA -0.263 57.760 58.200 -0.295 0.000 1.018 126 S CB 1.232 64.448 63.200 0.027 0.000 1.021 126 S HN 0.925 nan 8.310 nan 0.000 0.483 127 G N 2.214 110.964 108.800 -0.082 0.000 2.483 127 G HA2 0.523 4.483 3.960 -0.000 0.000 0.248 127 G HA3 0.523 4.483 3.960 -0.000 0.000 0.248 127 G C -0.930 173.949 174.900 -0.035 0.000 1.248 127 G CA -0.310 44.803 45.100 0.022 0.000 0.838 127 G HN 0.811 nan 8.290 nan 0.000 0.566 128 V N 1.093 120.969 119.914 -0.063 0.000 2.483 128 V HA 0.573 4.693 4.120 -0.000 0.000 0.297 128 V C 0.098 176.097 176.094 -0.158 0.000 1.027 128 V CA -0.699 61.540 62.300 -0.101 0.000 0.855 128 V CB 1.466 33.236 31.823 -0.087 0.000 0.995 128 V HN 0.820 nan 8.190 nan 0.000 0.424 129 S N 2.638 118.235 115.700 -0.172 0.000 2.607 129 S HA 0.836 5.306 4.470 -0.000 0.000 0.303 129 S C 0.746 175.263 174.600 -0.138 0.000 1.086 129 S CA 0.561 58.636 58.200 -0.209 0.000 0.995 129 S CB 1.705 64.738 63.200 -0.277 0.000 1.084 129 S HN 1.740 nan 8.310 nan 0.000 0.507 130 G N 1.059 109.763 108.800 -0.160 0.000 2.229 130 G HA2 0.166 4.126 3.960 -0.000 0.000 0.189 130 G HA3 0.166 4.126 3.960 -0.000 0.000 0.189 130 G C 1.244 176.071 174.900 -0.121 0.000 1.000 130 G CA 0.392 45.382 45.100 -0.184 0.000 0.663 130 G HN 1.953 nan 8.290 nan 0.000 0.493 131 G N 0.346 109.095 108.800 -0.086 0.000 2.574 131 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.282 131 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.282 131 G C 0.824 175.713 174.900 -0.018 0.000 1.257 131 G CA 1.345 46.421 45.100 -0.039 0.000 0.956 131 G HN 1.394 nan 8.290 nan 0.000 0.560 132 E N -0.760 119.444 120.200 0.007 0.000 2.038 132 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 132 E C 2.248 178.877 176.600 0.049 0.000 1.000 132 E CA 1.704 58.114 56.400 0.017 0.000 0.803 132 E CB -0.232 29.485 29.700 0.028 0.000 0.750 132 E HN 0.531 nan 8.360 nan 0.000 0.448 133 E N -0.338 119.924 120.200 0.102 0.000 2.077 133 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 133 E C 2.015 178.733 176.600 0.197 0.000 0.989 133 E CA 1.098 57.621 56.400 0.205 0.000 0.800 133 E CB -0.292 29.529 29.700 0.201 0.000 0.746 133 E HN 0.443 nan 8.360 nan 0.000 0.452 134 G N 0.940 109.788 108.800 0.080 0.000 2.421 134 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 134 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 134 G C 1.718 176.628 174.900 0.017 0.000 1.171 134 G CA 1.248 46.372 45.100 0.039 0.000 0.775 134 G HN 0.384 nan 8.290 nan 0.000 0.543 135 A N 0.562 123.369 122.820 -0.020 0.000 1.940 135 A HA -0.055 4.264 4.320 -0.000 0.000 0.219 135 A C 2.360 179.899 177.584 -0.075 0.000 1.176 135 A CA 2.226 54.230 52.037 -0.055 0.000 0.631 135 A CB -0.366 18.596 19.000 -0.062 0.000 0.814 135 A HN 0.308 nan 8.150 nan 0.000 0.446 136 R N -1.675 118.761 120.500 -0.106 0.000 2.073 136 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 136 R C 1.138 177.149 176.300 -0.482 0.000 1.120 136 R CA 1.836 57.730 56.100 -0.343 0.000 0.967 136 R CB -0.516 29.491 30.300 -0.488 0.000 0.862 136 R HN 0.616 nan 8.270 nan 0.000 0.436 137 Y N -2.857 117.477 120.300 0.057 0.000 2.467 137 Y HA 0.489 5.038 4.550 -0.000 0.000 0.259 137 Y C 0.385 176.340 175.900 0.092 0.000 1.084 137 Y CA 0.171 58.319 58.100 0.080 0.000 1.275 137 Y CB 1.503 40.001 38.460 0.062 0.000 1.208 137 Y HN 0.129 nan 8.280 nan 0.000 0.511 138 G N 1.729 110.632 108.800 0.171 0.000 2.110 138 G HA2 0.201 4.161 3.960 -0.000 0.000 0.218 138 G HA3 0.201 4.161 3.960 -0.000 0.000 0.218 138 G C -3.457 171.471 174.900 0.048 0.000 2.460 138 G CA -0.860 44.301 45.100 0.101 0.000 0.838 138 G HN -0.235 nan 8.290 nan 0.000 0.534 139 P HA 0.525 nan 4.420 nan 0.000 0.285 139 P C 0.124 177.414 177.300 -0.018 0.000 1.269 139 P CA -0.421 62.659 63.100 -0.034 0.000 0.844 139 P CB 2.073 33.725 31.700 -0.081 0.000 1.094 140 S N 1.157 116.856 115.700 -0.002 0.000 2.505 140 S HA 0.360 4.830 4.470 -0.000 0.000 0.276 140 S C -0.284 174.321 174.600 0.008 0.000 1.274 140 S CA -0.464 57.767 58.200 0.051 0.000 1.053 140 S CB -0.988 62.294 63.200 0.137 0.000 0.919 140 S HN 0.243 nan 8.310 nan 0.000 0.490 141 L N 5.339 126.578 121.223 0.027 0.000 2.341 141 L HA 0.539 4.879 4.340 -0.000 0.000 0.278 141 L C -0.421 176.475 176.870 0.043 0.000 1.005 141 L CA -0.378 54.472 54.840 0.016 0.000 0.818 141 L CB 1.762 43.821 42.059 -0.001 0.000 1.259 141 L HN 0.638 nan 8.230 nan 0.000 0.418 142 M N 5.348 124.944 119.600 -0.008 0.000 2.386 142 M HA 0.301 4.781 4.480 -0.000 0.000 0.245 142 M C -2.551 173.595 176.300 -0.257 0.000 0.982 142 M CA -1.472 53.759 55.300 -0.116 0.000 0.860 142 M CB 1.210 33.770 32.600 -0.067 0.000 1.371 142 M HN 0.153 nan 8.290 nan 0.000 0.425 143 P HA 0.428 nan 4.420 nan 0.000 0.281 143 P C -0.257 176.341 177.300 -1.171 0.000 1.252 143 P CA 0.158 62.951 63.100 -0.511 0.000 0.778 143 P CB 1.559 33.061 31.700 -0.330 0.000 0.895 144 G N 0.545 108.645 108.800 -1.167 0.000 2.695 144 G HA2 0.726 4.686 3.960 -0.000 0.000 0.290 144 G HA3 0.726 4.686 3.960 -0.000 0.000 0.290 144 G C -0.434 173.991 174.900 -0.791 0.000 1.410 144 G CA -0.389 43.828 45.100 -1.472 0.000 0.844 144 G HN 0.754 nan 8.290 nan 0.000 0.478 145 G N 0.099 108.682 108.800 -0.361 0.000 2.246 145 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.196 145 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.196 145 G C -0.615 174.501 174.900 0.359 0.000 1.180 145 G CA 0.037 45.184 45.100 0.077 0.000 1.291 145 G HN 1.149 nan 8.290 nan 0.000 0.508 146 N N 1.551 120.455 118.700 0.340 0.000 2.439 146 N HA 0.248 4.988 4.740 -0.000 0.000 0.243 146 N C 1.026 176.571 175.510 0.058 0.000 1.088 146 N CA 0.009 53.184 53.050 0.209 0.000 0.940 146 N CB 1.264 39.841 38.487 0.150 0.000 1.180 146 N HN 0.633 nan 8.380 nan 0.000 0.505 147 K N 2.331 122.646 120.400 -0.142 0.000 2.442 147 K HA -0.125 4.195 4.320 -0.000 0.000 0.198 147 K C 1.156 177.494 176.600 -0.437 0.000 1.044 147 K CA 0.809 56.618 56.287 -0.796 0.000 0.948 147 K CB 0.235 32.246 32.500 -0.816 0.000 0.762 147 K HN 0.624 nan 8.250 nan 0.000 0.472 148 E N -0.236 119.858 120.200 -0.177 0.000 2.338 148 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 148 E C 1.339 177.945 176.600 0.011 0.000 1.007 148 E CA 0.753 57.110 56.400 -0.071 0.000 0.849 148 E CB 0.057 29.747 29.700 -0.017 0.000 0.774 148 E HN 0.398 nan 8.360 nan 0.000 0.506 149 A N 0.949 123.758 122.820 -0.019 0.000 2.072 149 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 149 A C 1.855 179.469 177.584 0.050 0.000 1.156 149 A CA 0.289 52.366 52.037 0.067 0.000 0.701 149 A CB -1.002 18.019 19.000 0.036 0.000 0.816 149 A HN 0.683 nan 8.150 nan 0.000 0.458 150 W N 1.693 122.774 121.300 -0.366 0.000 2.317 150 W HA -0.176 4.484 4.660 -0.000 0.000 0.318 150 W C -1.386 174.966 176.519 -0.278 0.000 1.227 150 W CA 2.014 59.125 57.345 -0.391 0.000 1.269 150 W CB -0.937 28.099 29.460 -0.707 0.000 1.155 150 W HN 0.270 nan 8.180 nan 0.000 0.484 151 P HA -0.159 nan 4.420 nan 0.000 0.219 151 P C 0.422 177.369 177.300 -0.589 0.000 1.146 151 P CA 1.998 64.732 63.100 -0.609 0.000 0.808 151 P CB -0.356 31.007 31.700 -0.562 0.000 0.779 152 H N -1.878 117.040 119.070 -0.253 0.000 2.548 152 H HA 0.175 4.731 4.556 -0.000 0.000 0.265 152 H C 1.656 176.853 175.328 -0.218 0.000 0.969 152 H CA 0.526 56.457 56.048 -0.195 0.000 1.155 152 H CB -0.346 29.336 29.762 -0.133 0.000 1.394 152 H HN 0.255 nan 8.280 nan 0.000 0.570 153 I N -3.211 117.229 120.570 -0.217 0.000 4.403 153 I HA 0.217 4.386 4.170 -0.000 0.000 0.331 153 I C 1.788 177.693 176.117 -0.353 0.000 1.327 153 I CA -0.101 61.045 61.300 -0.257 0.000 1.175 153 I CB 0.313 38.101 38.000 -0.353 0.000 1.165 153 I HN -0.134 nan 8.210 nan 0.000 0.413 154 K N 2.069 122.071 120.400 -0.664 0.000 2.044 154 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 154 K C 2.109 178.502 176.600 -0.346 0.000 1.049 154 K CA 2.803 58.538 56.287 -0.920 0.000 0.927 154 K CB -0.233 31.507 32.500 -1.267 0.000 0.713 154 K HN 0.638 nan 8.250 nan 0.000 0.443 155 T N -0.723 113.684 114.554 -0.244 0.000 2.821 155 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 155 T C 2.035 176.728 174.700 -0.011 0.000 1.046 155 T CA 1.158 63.209 62.100 -0.083 0.000 1.139 155 T CB -0.350 68.499 68.868 -0.031 0.000 0.871 155 T HN 0.173 nan 8.240 nan 0.000 0.454 156 I N -0.236 120.262 120.570 -0.121 0.000 2.202 156 I HA -0.014 4.156 4.170 -0.000 0.000 0.242 156 I C 2.399 178.511 176.117 -0.008 0.000 1.091 156 I CA 1.418 62.553 61.300 -0.275 0.000 1.368 156 I CB -0.456 37.258 38.000 -0.476 0.000 1.058 156 I HN 0.138 nan 8.210 nan 0.000 0.410 157 F N 1.113 120.983 119.950 -0.134 0.000 2.069 157 F HA -0.283 4.243 4.527 -0.000 0.000 0.298 157 F C 2.843 178.647 175.800 0.006 0.000 1.113 157 F CA 1.517 59.505 58.000 -0.021 0.000 1.214 157 F CB -0.248 38.825 39.000 0.122 0.000 0.978 157 F HN 0.064 nan 8.300 nan 0.000 0.474 158 Q N -0.364 119.560 119.800 0.207 0.000 2.224 158 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 158 Q C 2.480 178.510 176.000 0.050 0.000 0.970 158 Q CA 0.972 56.854 55.803 0.131 0.000 0.865 158 Q CB -0.505 28.302 28.738 0.114 0.000 0.922 158 Q HN 0.540 nan 8.270 nan 0.000 0.445 159 G N 1.855 110.674 108.800 0.031 0.000 2.421 159 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 159 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 159 G C 1.468 176.207 174.900 -0.268 0.000 1.171 159 G CA 0.967 46.063 45.100 -0.006 0.000 0.775 159 G HN 0.509 nan 8.290 nan 0.000 0.543 160 I N -1.308 119.087 120.570 -0.291 0.000 3.603 160 I HA 0.558 4.728 4.170 -0.000 0.000 0.297 160 I C 1.341 177.349 176.117 -0.182 0.000 1.269 160 I CA -0.236 60.803 61.300 -0.434 0.000 1.361 160 I CB 0.019 37.854 38.000 -0.276 0.000 1.063 160 I HN 0.091 nan 8.210 nan 0.000 0.448 161 A N 2.116 124.876 122.820 -0.100 0.000 2.445 161 A HA 0.610 4.930 4.320 -0.000 0.000 0.242 161 A C 0.881 178.479 177.584 0.024 0.000 1.075 161 A CA 0.171 52.191 52.037 -0.027 0.000 0.777 161 A CB -0.022 18.993 19.000 0.026 0.000 1.013 161 A HN 0.567 nan 8.150 nan 0.000 0.493 162 A N 2.331 125.177 122.820 0.043 0.000 2.587 162 A HA 0.384 4.704 4.320 -0.000 0.000 0.235 162 A C 0.349 177.979 177.584 0.076 0.000 1.044 162 A CA 0.375 52.454 52.037 0.070 0.000 0.754 162 A CB -0.061 18.980 19.000 0.068 0.000 0.968 162 A HN 0.653 nan 8.150 nan 0.000 0.509 163 K N 1.260 121.710 120.400 0.083 0.000 2.207 163 K HA 0.584 4.904 4.320 -0.000 0.000 0.255 163 K C -0.327 176.318 176.600 0.075 0.000 0.941 163 K CA -0.507 55.827 56.287 0.079 0.000 0.825 163 K CB 1.675 34.225 32.500 0.083 0.000 1.119 163 K HN 0.739 nan 8.250 nan 0.000 0.430 164 V N -1.951 118.005 119.914 0.071 0.000 2.960 164 V HA 0.752 4.872 4.120 -0.000 0.000 0.315 164 V C 1.087 177.215 176.094 0.057 0.000 1.087 164 V CA 0.005 62.344 62.300 0.066 0.000 0.982 164 V CB 1.071 32.937 31.823 0.071 0.000 1.039 164 V HN 0.913 nan 8.190 nan 0.000 0.437 165 G N 3.169 112.000 108.800 0.051 0.000 2.690 165 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.362 165 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.362 165 G C 1.093 176.017 174.900 0.041 0.000 1.132 165 G CA 2.185 47.311 45.100 0.043 0.000 0.922 165 G HN 2.106 nan 8.290 nan 0.000 0.595 166 T N -0.330 114.248 114.554 0.040 0.000 3.215 166 T HA 0.413 4.763 4.350 -0.000 0.000 0.254 166 T C 2.030 176.755 174.700 0.042 0.000 1.149 166 T CA 1.299 63.422 62.100 0.038 0.000 1.042 166 T CB -0.050 68.838 68.868 0.034 0.000 0.966 166 T HN 2.526 nan 8.240 nan 0.000 0.534 167 G N 1.439 110.268 108.800 0.049 0.000 2.144 167 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 167 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 167 G C -0.349 174.587 174.900 0.060 0.000 0.988 167 G CA -0.380 44.753 45.100 0.055 0.000 0.659 167 G HN 0.650 nan 8.290 nan 0.000 0.522 168 E N 1.614 121.849 120.200 0.059 0.000 2.384 168 E HA 0.422 4.772 4.350 -0.000 0.000 0.266 168 E C -2.291 174.352 176.600 0.072 0.000 1.012 168 E CA -1.451 54.987 56.400 0.063 0.000 0.901 168 E CB 0.830 30.566 29.700 0.061 0.000 0.967 168 E HN 0.273 nan 8.360 nan 0.000 0.435 169 P HA 0.065 nan 4.420 nan 0.000 0.279 169 P C -0.648 176.708 177.300 0.094 0.000 1.239 169 P CA -0.566 62.586 63.100 0.087 0.000 0.789 169 P CB 0.671 32.431 31.700 0.100 0.000 0.933 170 C N 3.172 122.527 119.300 0.092 0.000 2.700 170 C HA 0.414 4.874 4.460 -0.000 0.000 0.529 170 C C 0.527 175.578 174.990 0.102 0.000 1.093 170 C CA -0.189 58.887 59.018 0.098 0.000 1.320 170 C CB -1.958 25.848 27.740 0.110 0.000 1.478 170 C HN 0.658 nan 8.230 nan 0.000 0.598 171 C N 2.607 121.978 119.300 0.118 0.000 3.018 171 C HA 0.608 5.068 4.460 -0.000 0.000 0.413 171 C C -1.760 173.351 174.990 0.202 0.000 1.015 171 C CA -0.202 58.910 59.018 0.156 0.000 1.233 171 C CB 0.298 28.171 27.740 0.221 0.000 1.630 171 C HN 0.700 nan 8.230 nan 0.000 0.532 172 D N 2.749 123.191 120.400 0.069 0.000 2.583 172 D HA 0.351 4.991 4.640 -0.000 0.000 0.248 172 D C -1.260 174.828 176.300 -0.353 0.000 1.209 172 D CA -0.235 53.775 54.000 0.017 0.000 0.848 172 D CB 1.666 42.492 40.800 0.044 0.000 1.431 172 D HN 0.781 nan 8.370 nan 0.000 0.436 173 W N 3.339 124.100 121.300 -0.898 0.000 2.308 173 W HA 0.128 4.788 4.660 -0.000 0.000 0.324 173 W C 0.102 176.277 176.519 -0.573 0.000 1.387 173 W CA -0.287 56.411 57.345 -1.079 0.000 1.250 173 W CB 0.845 29.459 29.460 -1.409 0.000 1.257 173 W HN 0.157 nan 8.180 nan 0.000 0.554 174 V N 6.364 125.642 119.914 -1.060 0.000 2.379 174 V HA 0.176 4.296 4.120 -0.000 0.000 0.243 174 V C 1.229 176.876 176.094 -0.745 0.000 1.035 174 V CA 1.984 63.823 62.300 -0.769 0.000 1.035 174 V CB -0.573 30.833 31.823 -0.696 0.000 0.673 174 V HN 0.839 nan 8.190 nan 0.000 0.457 175 G N -0.847 107.287 108.800 -1.110 0.000 2.345 175 G HA2 0.170 4.129 3.960 -0.000 0.000 0.285 175 G HA3 0.170 4.129 3.960 -0.000 0.000 0.285 175 G C -2.004 172.591 174.900 -0.508 0.000 1.297 175 G CA -0.266 44.494 45.100 -0.567 0.000 0.875 175 G HN 0.071 nan 8.290 nan 0.000 0.506 176 D N 0.425 120.638 120.400 -0.313 0.000 2.341 176 D HA 0.475 5.114 4.640 -0.000 0.000 0.245 176 D C 1.164 177.284 176.300 -0.300 0.000 1.106 176 D CA 0.907 54.836 54.000 -0.118 0.000 0.905 176 D CB 0.731 41.580 40.800 0.082 0.000 1.202 176 D HN 0.690 nan 8.370 nan 0.000 0.426 177 E N 0.982 121.147 120.200 -0.058 0.000 3.289 177 E HA -0.291 4.059 4.350 -0.000 0.000 0.386 177 E C 1.194 177.712 176.600 -0.137 0.000 1.526 177 E CA 1.492 57.891 56.400 -0.001 0.000 1.519 177 E CB -1.312 28.473 29.700 0.141 0.000 1.657 177 E HN 0.577 nan 8.360 nan 0.000 0.479 178 G N -0.054 108.715 108.800 -0.052 0.000 2.848 178 G HA2 0.163 4.123 3.960 -0.000 0.000 0.208 178 G HA3 0.163 4.123 3.960 -0.000 0.000 0.208 178 G C 1.247 175.913 174.900 -0.390 0.000 1.152 178 G CA 1.012 46.104 45.100 -0.013 0.000 0.789 178 G HN 0.577 nan 8.290 nan 0.000 0.531 179 A N 1.132 123.273 122.820 -1.132 0.000 1.892 179 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 179 A C 2.682 179.881 177.584 -0.641 0.000 1.188 179 A CA 2.204 53.376 52.037 -1.442 0.000 0.631 179 A CB -1.036 17.006 19.000 -1.596 0.000 0.822 179 A HN 0.494 nan 8.150 nan 0.000 0.447 180 G N -1.315 107.112 108.800 -0.620 0.000 2.446 180 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 180 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 180 G C 1.409 176.167 174.900 -0.237 0.000 1.168 180 G CA 1.297 46.103 45.100 -0.491 0.000 0.771 180 G HN 0.789 nan 8.290 nan 0.000 0.551 181 H N -1.724 117.293 119.070 -0.089 0.000 2.495 181 H HA 0.086 4.642 4.556 -0.000 0.000 0.287 181 H C 2.052 177.439 175.328 0.100 0.000 1.033 181 H CA 0.613 56.682 56.048 0.035 0.000 1.307 181 H CB 0.024 29.847 29.762 0.101 0.000 1.401 181 H HN 0.383 nan 8.280 nan 0.000 0.555 182 F N 0.407 120.390 119.950 0.056 0.000 2.098 182 F HA -0.166 4.361 4.527 -0.000 0.000 0.294 182 F C 2.165 177.981 175.800 0.027 0.000 1.107 182 F CA 0.784 58.790 58.000 0.010 0.000 1.234 182 F CB -0.494 38.468 39.000 -0.063 0.000 1.002 182 F HN -0.133 nan 8.300 nan 0.000 0.472 183 V N 0.864 120.914 119.914 0.227 0.000 2.324 183 V HA -0.358 3.762 4.120 -0.000 0.000 0.250 183 V C 2.390 178.593 176.094 0.181 0.000 1.060 183 V CA 2.342 64.754 62.300 0.187 0.000 1.042 183 V CB -0.770 31.096 31.823 0.072 0.000 0.650 183 V HN 0.288 nan 8.190 nan 0.000 0.450 184 K N 0.175 120.640 120.400 0.108 0.000 2.148 184 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 184 K C 2.088 178.699 176.600 0.019 0.000 1.050 184 K CA 1.842 58.163 56.287 0.057 0.000 0.942 184 K CB -0.446 32.084 32.500 0.049 0.000 0.724 184 K HN 0.448 nan 8.250 nan 0.000 0.446 185 M N -0.234 119.356 119.600 -0.017 0.000 2.086 185 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 185 M C 1.648 177.839 176.300 -0.181 0.000 1.067 185 M CA 1.725 56.966 55.300 -0.097 0.000 1.116 185 M CB -0.064 32.432 32.600 -0.174 0.000 1.348 185 M HN 0.044 nan 8.290 nan 0.000 0.407 186 V N 0.393 120.179 119.914 -0.213 0.000 2.287 186 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 186 V C 2.631 178.627 176.094 -0.164 0.000 1.053 186 V CA 2.361 64.556 62.300 -0.175 0.000 1.027 186 V CB -1.456 30.328 31.823 -0.065 0.000 0.646 186 V HN 0.644 nan 8.190 nan 0.000 0.447 187 H N 1.077 120.004 119.070 -0.238 0.000 2.321 187 H HA -0.211 4.345 4.556 -0.000 0.000 0.295 187 H C 2.129 177.214 175.328 -0.405 0.000 1.102 187 H CA 2.472 58.214 56.048 -0.511 0.000 1.266 187 H CB -0.191 29.298 29.762 -0.456 0.000 1.363 187 H HN 0.407 nan 8.280 nan 0.000 0.492 188 N N 0.140 118.816 118.700 -0.040 0.000 2.331 188 N HA -0.058 4.682 4.740 -0.000 0.000 0.180 188 N C 2.165 177.518 175.510 -0.262 0.000 1.019 188 N CA 0.945 53.942 53.050 -0.089 0.000 0.881 188 N CB -0.776 37.654 38.487 -0.095 0.000 0.972 188 N HN 0.511 nan 8.380 nan 0.000 0.435 189 G N 1.375 109.977 108.800 -0.329 0.000 2.433 189 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 189 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 189 G C 1.528 176.280 174.900 -0.247 0.000 1.186 189 G CA 0.507 45.406 45.100 -0.336 0.000 0.779 189 G HN 0.271 nan 8.290 nan 0.000 0.543 190 I N 0.778 121.158 120.570 -0.317 0.000 2.208 190 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 190 I C 2.676 178.600 176.117 -0.322 0.000 1.097 190 I CA 1.652 62.719 61.300 -0.388 0.000 1.363 190 I CB -0.354 37.257 38.000 -0.649 0.000 1.051 190 I HN 0.360 nan 8.210 nan 0.000 0.413 191 E N 1.026 121.034 120.200 -0.319 0.000 2.038 191 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 191 E C 2.363 178.951 176.600 -0.019 0.000 1.000 191 E CA 1.673 57.960 56.400 -0.189 0.000 0.803 191 E CB -0.239 29.347 29.700 -0.191 0.000 0.750 191 E HN 0.401 nan 8.360 nan 0.000 0.448 192 Y N 0.596 120.782 120.300 -0.190 0.000 2.114 192 Y HA -0.171 4.378 4.550 -0.000 0.000 0.282 192 Y C 2.510 178.328 175.900 -0.137 0.000 1.165 192 Y CA 1.600 59.609 58.100 -0.152 0.000 1.148 192 Y CB -1.088 37.276 38.460 -0.159 0.000 0.972 192 Y HN 0.233 nan 8.280 nan 0.000 0.504 193 G N -0.748 108.069 108.800 0.027 0.000 2.433 193 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 193 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 193 G C 1.591 176.460 174.900 -0.052 0.000 1.186 193 G CA 1.088 46.167 45.100 -0.034 0.000 0.779 193 G HN 0.328 nan 8.290 nan 0.000 0.543 194 D N 0.221 120.588 120.400 -0.055 0.000 2.104 194 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 194 D C 2.665 178.947 176.300 -0.030 0.000 0.994 194 D CA 1.039 55.028 54.000 -0.019 0.000 0.830 194 D CB -0.063 40.738 40.800 0.002 0.000 0.959 194 D HN 0.288 nan 8.370 nan 0.000 0.452 195 M N 0.090 119.655 119.600 -0.059 0.000 2.117 195 M HA -0.218 4.261 4.480 -0.000 0.000 0.262 195 M C 2.281 178.530 176.300 -0.086 0.000 1.065 195 M CA 1.321 56.569 55.300 -0.086 0.000 1.114 195 M CB -0.154 32.363 32.600 -0.138 0.000 1.361 195 M HN -0.104 nan 8.290 nan 0.000 0.408 196 Q N 0.984 120.730 119.800 -0.089 0.000 2.079 196 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 196 Q C 1.749 177.689 176.000 -0.099 0.000 0.974 196 Q CA 1.706 57.461 55.803 -0.079 0.000 0.840 196 Q CB -0.463 28.237 28.738 -0.063 0.000 0.898 196 Q HN 0.532 nan 8.270 nan 0.000 0.430 197 L N -0.265 120.865 121.223 -0.156 0.000 2.042 197 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 197 L C 2.395 179.178 176.870 -0.144 0.000 1.076 197 L CA 1.210 55.852 54.840 -0.331 0.000 0.749 197 L CB -0.484 41.380 42.059 -0.325 0.000 0.893 197 L HN 0.289 nan 8.230 nan 0.000 0.432 198 I N -1.067 119.515 120.570 0.020 0.000 2.226 198 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 198 I C 2.614 178.871 176.117 0.235 0.000 1.100 198 I CA 1.126 62.542 61.300 0.193 0.000 1.374 198 I CB -0.350 37.709 38.000 0.099 0.000 1.057 198 I HN 0.406 nan 8.210 nan 0.000 0.413 199 C N 0.578 119.940 119.300 0.103 0.000 2.425 199 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 199 C C 2.646 177.807 174.990 0.286 0.000 1.280 199 C CA 0.921 60.032 59.018 0.155 0.000 1.744 199 C CB -1.030 26.731 27.740 0.036 0.000 1.989 199 C HN 0.493 nan 8.230 nan 0.000 0.491 200 E N 0.714 121.036 120.200 0.203 0.000 2.072 200 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 200 E C 2.358 179.248 176.600 0.484 0.000 0.985 200 E CA 1.193 57.779 56.400 0.310 0.000 0.801 200 E CB -0.229 29.579 29.700 0.180 0.000 0.750 200 E HN 0.648 nan 8.360 nan 0.000 0.452 201 A N 0.824 123.956 122.820 0.521 0.000 1.883 201 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 201 A C 2.077 179.951 177.584 0.484 0.000 1.186 201 A CA 1.615 53.991 52.037 0.565 0.000 0.624 201 A CB -0.903 18.458 19.000 0.602 0.000 0.822 201 A HN 0.459 nan 8.150 nan 0.000 0.444 202 Y N -0.219 120.335 120.300 0.423 0.000 2.165 202 Y HA -0.301 4.249 4.550 -0.000 0.000 0.286 202 Y C 2.312 178.391 175.900 0.298 0.000 1.155 202 Y CA 2.325 60.641 58.100 0.359 0.000 1.164 202 Y CB -0.809 37.818 38.460 0.278 0.000 0.978 202 Y HN 0.594 nan 8.280 nan 0.000 0.513 203 H N -0.482 118.633 119.070 0.076 0.000 2.353 203 H HA -0.156 4.400 4.556 -0.000 0.000 0.300 203 H C 2.195 177.509 175.328 -0.023 0.000 1.090 203 H CA 1.459 57.476 56.048 -0.052 0.000 1.327 203 H CB -0.090 29.728 29.762 0.094 0.000 1.383 203 H HN 0.385 nan 8.280 nan 0.000 0.508 204 L N 0.051 121.364 121.223 0.150 0.000 2.046 204 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 204 L C 2.743 179.651 176.870 0.065 0.000 1.077 204 L CA 1.193 56.099 54.840 0.109 0.000 0.747 204 L CB -0.281 41.913 42.059 0.225 0.000 0.896 204 L HN 0.387 nan 8.230 nan 0.000 0.432 205 M N -0.682 118.956 119.600 0.064 0.000 2.117 205 M HA -0.244 4.236 4.480 -0.000 0.000 0.262 205 M C 2.352 178.601 176.300 -0.084 0.000 1.065 205 M CA 1.749 57.050 55.300 0.002 0.000 1.114 205 M CB -0.354 32.249 32.600 0.006 0.000 1.361 205 M HN 0.108 nan 8.290 nan 0.000 0.408 206 K N 0.213 120.509 120.400 -0.173 0.000 2.031 206 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 206 K C 0.920 177.454 176.600 -0.110 0.000 1.049 206 K CA 1.556 57.726 56.287 -0.195 0.000 0.939 206 K CB 0.216 32.495 32.500 -0.368 0.000 0.717 206 K HN 0.178 nan 8.250 nan 0.000 0.438 207 D N -0.851 119.482 120.400 -0.112 0.000 2.388 207 D HA 0.000 4.640 4.640 -0.000 0.000 0.208 207 D C 1.543 177.804 176.300 -0.065 0.000 1.035 207 D CA 0.332 54.272 54.000 -0.100 0.000 0.875 207 D CB 0.697 41.377 40.800 -0.201 0.000 0.984 207 D HN -0.027 nan 8.370 nan 0.000 0.508 208 V N 0.271 120.142 119.914 -0.073 0.000 2.581 208 V HA 0.066 4.186 4.120 -0.000 0.000 0.240 208 V C 2.012 177.978 176.094 -0.212 0.000 1.054 208 V CA 0.710 62.976 62.300 -0.057 0.000 1.076 208 V CB 0.093 31.881 31.823 -0.057 0.000 0.748 208 V HN 0.141 nan 8.190 nan 0.000 0.474 209 L N 0.550 121.639 121.223 -0.223 0.000 2.567 209 L HA 0.312 4.652 4.340 -0.000 0.000 0.225 209 L C 1.631 178.412 176.870 -0.148 0.000 1.119 209 L CA 0.785 55.453 54.840 -0.286 0.000 0.871 209 L CB -0.471 41.472 42.059 -0.194 0.000 1.036 209 L HN 0.579 nan 8.230 nan 0.000 0.459 210 G N 1.350 110.091 108.800 -0.098 0.000 2.305 210 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.287 210 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.287 210 G C 0.247 175.116 174.900 -0.053 0.000 1.036 210 G CA 0.183 45.247 45.100 -0.060 0.000 0.887 210 G HN 0.280 nan 8.290 nan 0.000 0.505 211 M N 0.212 119.775 119.600 -0.062 0.000 2.242 211 M HA 0.519 4.998 4.480 -0.000 0.000 0.344 211 M C 1.001 177.277 176.300 -0.040 0.000 1.140 211 M CA 0.217 55.487 55.300 -0.050 0.000 1.160 211 M CB 1.037 33.604 32.600 -0.056 0.000 1.491 211 M HN 0.436 nan 8.290 nan 0.000 0.459 212 A N 1.904 124.708 122.820 -0.028 0.000 2.313 212 A HA 0.172 4.492 4.320 -0.000 0.000 0.261 212 A C 0.970 178.530 177.584 -0.041 0.000 1.090 212 A CA -0.514 51.508 52.037 -0.025 0.000 0.807 212 A CB 0.534 19.530 19.000 -0.006 0.000 1.055 212 A HN 0.907 nan 8.150 nan 0.000 0.492 213 Q N 0.254 119.997 119.800 -0.096 0.000 2.045 213 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 213 Q C 1.089 177.010 176.000 -0.132 0.000 0.991 213 Q CA 2.238 57.922 55.803 -0.198 0.000 0.851 213 Q CB -0.283 28.052 28.738 -0.671 0.000 0.911 213 Q HN 0.814 nan 8.270 nan 0.000 0.418 214 D N 0.220 120.572 120.400 -0.080 0.000 2.178 214 D HA -0.119 4.520 4.640 -0.000 0.000 0.202 214 D C 1.772 178.073 176.300 0.002 0.000 0.974 214 D CA 0.631 54.643 54.000 0.020 0.000 0.841 214 D CB -0.061 40.794 40.800 0.093 0.000 0.953 214 D HN 0.373 nan 8.370 nan 0.000 0.478 215 E N -0.001 120.191 120.200 -0.014 0.000 2.077 215 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 215 E C 2.104 178.668 176.600 -0.059 0.000 0.989 215 E CA 0.674 57.054 56.400 -0.033 0.000 0.800 215 E CB 0.081 29.761 29.700 -0.032 0.000 0.746 215 E HN 0.213 nan 8.360 nan 0.000 0.452 216 M N -0.026 119.557 119.600 -0.027 0.000 2.132 216 M HA -0.110 4.369 4.480 -0.000 0.000 0.263 216 M C 2.480 178.819 176.300 0.065 0.000 1.065 216 M CA 1.209 56.509 55.300 -0.000 0.000 1.122 216 M CB -0.189 32.492 32.600 0.136 0.000 1.365 216 M HN 0.151 nan 8.290 nan 0.000 0.411 217 A N 0.095 122.955 122.820 0.066 0.000 1.892 217 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 217 A C 2.005 179.598 177.584 0.015 0.000 1.188 217 A CA 2.169 54.244 52.037 0.064 0.000 0.631 217 A CB -0.821 18.200 19.000 0.035 0.000 0.822 217 A HN 0.463 nan 8.150 nan 0.000 0.447 218 Q N -0.345 119.431 119.800 -0.039 0.000 2.084 218 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 218 Q C 2.093 177.980 176.000 -0.188 0.000 0.978 218 Q CA 2.140 57.896 55.803 -0.077 0.000 0.844 218 Q CB -0.644 28.055 28.738 -0.064 0.000 0.898 218 Q HN 0.582 nan 8.270 nan 0.000 0.426 219 A N -0.541 122.079 122.820 -0.333 0.000 1.883 219 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 219 A C 1.929 178.869 177.584 -1.073 0.000 1.186 219 A CA 1.635 53.215 52.037 -0.761 0.000 0.624 219 A CB -1.050 17.372 19.000 -0.963 0.000 0.822 219 A HN 0.473 nan 8.150 nan 0.000 0.444 220 F N -0.217 119.326 119.950 -0.679 0.000 2.134 220 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 220 F C 2.383 178.094 175.800 -0.149 0.000 1.097 220 F CA 1.724 59.500 58.000 -0.374 0.000 1.264 220 F CB -0.355 38.535 39.000 -0.184 0.000 1.001 220 F HN 0.377 nan 8.300 nan 0.000 0.479 221 E N 0.220 120.439 120.200 0.033 0.000 2.085 221 E HA -0.231 4.118 4.350 -0.000 0.000 0.194 221 E C 1.681 178.298 176.600 0.030 0.000 0.994 221 E CA 1.634 58.052 56.400 0.030 0.000 0.801 221 E CB -0.048 29.654 29.700 0.004 0.000 0.743 221 E HN 0.335 nan 8.360 nan 0.000 0.453 222 D N -0.343 120.041 120.400 -0.027 0.000 2.123 222 D HA -0.153 4.487 4.640 -0.000 0.000 0.200 222 D C 1.623 178.034 176.300 0.185 0.000 0.976 222 D CA 0.651 54.674 54.000 0.039 0.000 0.831 222 D CB -0.414 40.386 40.800 -0.001 0.000 0.974 222 D HN 0.369 nan 8.370 nan 0.000 0.469 223 W N 1.639 122.924 121.300 -0.025 0.000 2.350 223 W HA -0.112 4.548 4.660 -0.000 0.000 0.289 223 W C 2.013 178.525 176.519 -0.012 0.000 1.215 223 W CA 0.516 57.837 57.345 -0.040 0.000 1.236 223 W CB -1.482 27.941 29.460 -0.062 0.000 1.130 223 W HN 0.078 nan 8.180 nan 0.000 0.541 224 N N 0.455 119.304 118.700 0.248 0.000 2.550 224 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 224 N C 1.327 176.889 175.510 0.087 0.000 1.110 224 N CA 1.029 54.168 53.050 0.149 0.000 0.912 224 N CB -0.145 38.414 38.487 0.119 0.000 0.968 224 N HN 0.073 nan 8.380 nan 0.000 0.448 225 K N -1.210 119.240 120.400 0.083 0.000 2.356 225 K HA 0.083 4.403 4.320 -0.000 0.000 0.195 225 K C 0.783 177.397 176.600 0.024 0.000 1.037 225 K CA 0.807 57.123 56.287 0.048 0.000 1.014 225 K CB 0.467 32.995 32.500 0.046 0.000 0.815 225 K HN 0.301 nan 8.250 nan 0.000 0.507 226 T N -1.116 113.445 114.554 0.010 0.000 2.909 226 T HA 0.139 4.489 4.350 -0.000 0.000 0.251 226 T C 1.133 175.771 174.700 -0.105 0.000 1.119 226 T CA -0.525 61.545 62.100 -0.050 0.000 1.009 226 T CB -0.108 68.712 68.868 -0.081 0.000 2.376 226 T HN -0.224 nan 8.240 nan 0.000 0.526 227 E N 0.849 120.896 120.200 -0.255 0.000 2.160 227 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 227 E C 1.759 178.192 176.600 -0.279 0.000 0.991 227 E CA 0.826 56.969 56.400 -0.427 0.000 0.810 227 E CB -0.673 28.283 29.700 -1.240 0.000 0.742 227 E HN 0.432 nan 8.360 nan 0.000 0.466 228 L N 1.062 122.165 121.223 -0.200 0.000 2.627 228 L HA 0.029 4.369 4.340 -0.000 0.000 0.233 228 L C 0.462 177.356 176.870 0.039 0.000 1.144 228 L CA -0.343 54.489 54.840 -0.014 0.000 0.892 228 L CB -0.204 41.876 42.059 0.036 0.000 1.039 228 L HN 0.047 nan 8.230 nan 0.000 0.442 229 D N 1.727 122.132 120.400 0.007 0.000 2.536 229 D HA 0.003 4.643 4.640 -0.000 0.000 0.260 229 D C -0.021 176.284 176.300 0.008 0.000 1.270 229 D CA 0.635 54.648 54.000 0.022 0.000 0.934 229 D CB 0.357 41.163 40.800 0.010 0.000 1.129 229 D HN 0.287 nan 8.370 nan 0.000 0.533 230 S N 2.584 118.313 115.700 0.049 0.000 2.595 230 S HA 0.194 4.664 4.470 -0.000 0.000 0.270 230 S C 0.391 175.059 174.600 0.113 0.000 1.145 230 S CA -0.906 57.337 58.200 0.072 0.000 0.825 230 S CB 0.107 63.342 63.200 0.057 0.000 1.107 230 S HN 0.217 nan 8.310 nan 0.000 0.461 231 F N 1.363 121.320 119.950 0.011 0.000 2.069 231 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 231 F C 1.805 177.601 175.800 -0.006 0.000 1.113 231 F CA 1.901 59.905 58.000 0.006 0.000 1.214 231 F CB -0.452 38.550 39.000 0.003 0.000 0.978 231 F HN 0.602 nan 8.300 nan 0.000 0.474 232 L N -0.222 121.021 121.223 0.033 0.000 2.046 232 L HA -0.256 4.083 4.340 -0.000 0.000 0.208 232 L C 2.501 179.279 176.870 -0.153 0.000 1.077 232 L CA 0.736 55.517 54.840 -0.097 0.000 0.747 232 L CB -0.694 41.392 42.059 0.045 0.000 0.896 232 L HN 0.207 nan 8.230 nan 0.000 0.432 233 I N 0.036 120.596 120.570 -0.018 0.000 2.179 233 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 233 I C 2.521 178.616 176.117 -0.038 0.000 1.088 233 I CA 1.504 62.847 61.300 0.072 0.000 1.357 233 I CB -1.038 37.097 38.000 0.224 0.000 1.051 233 I HN 0.426 nan 8.210 nan 0.000 0.409 234 E N 1.536 121.685 120.200 -0.084 0.000 2.048 234 E HA -0.265 4.085 4.350 -0.000 0.000 0.202 234 E C 2.270 178.732 176.600 -0.230 0.000 1.021 234 E CA 2.434 58.756 56.400 -0.129 0.000 0.825 234 E CB -0.218 29.397 29.700 -0.142 0.000 0.756 234 E HN 0.617 nan 8.360 nan 0.000 0.454 235 I N -1.481 118.846 120.570 -0.405 0.000 2.546 235 I HA -0.106 4.064 4.170 -0.000 0.000 0.255 235 I C 2.226 178.148 176.117 -0.324 0.000 1.163 235 I CA 1.289 62.350 61.300 -0.399 0.000 1.457 235 I CB -0.425 37.228 38.000 -0.578 0.000 1.092 235 I HN -0.058 nan 8.210 nan 0.000 0.434 236 T N 1.450 115.777 114.554 -0.377 0.000 2.746 236 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 236 T C 2.165 176.608 174.700 -0.428 0.000 1.039 236 T CA 1.725 63.522 62.100 -0.506 0.000 1.142 236 T CB -0.357 68.012 68.868 -0.831 0.000 0.866 236 T HN 0.599 nan 8.240 nan 0.000 0.444 237 A N 2.496 125.149 122.820 -0.279 0.000 1.883 237 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 237 A C 2.231 179.769 177.584 -0.076 0.000 1.186 237 A CA 1.828 53.804 52.037 -0.102 0.000 0.624 237 A CB -0.705 18.288 19.000 -0.013 0.000 0.822 237 A HN 0.425 nan 8.150 nan 0.000 0.444 238 N N 0.240 118.885 118.700 -0.090 0.000 2.084 238 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 238 N C 1.642 177.157 175.510 0.008 0.000 1.030 238 N CA 1.623 54.656 53.050 -0.028 0.000 0.849 238 N CB -0.568 37.891 38.487 -0.048 0.000 1.012 238 N HN 0.574 nan 8.380 nan 0.000 0.423 239 I N 0.923 121.439 120.570 -0.090 0.000 2.163 239 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 239 I C 1.969 178.074 176.117 -0.020 0.000 1.085 239 I CA 0.950 62.194 61.300 -0.093 0.000 1.347 239 I CB -0.285 37.586 38.000 -0.214 0.000 1.044 239 I HN 0.069 nan 8.210 nan 0.000 0.408 240 L N 0.340 121.515 121.223 -0.080 0.000 2.131 240 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 240 L C 2.415 179.330 176.870 0.075 0.000 1.092 240 L CA 1.429 56.242 54.840 -0.045 0.000 0.759 240 L CB -0.452 41.573 42.059 -0.057 0.000 0.903 240 L HN 0.194 nan 8.230 nan 0.000 0.435 241 K N -0.628 119.848 120.400 0.127 0.000 2.228 241 K HA -0.057 4.263 4.320 -0.000 0.000 0.202 241 K C 0.603 177.351 176.600 0.247 0.000 1.051 241 K CA 0.097 56.501 56.287 0.194 0.000 0.960 241 K CB 0.021 32.581 32.500 0.099 0.000 0.743 241 K HN -0.020 nan 8.250 nan 0.000 0.458 242 F N 2.864 122.867 119.950 0.089 0.000 2.578 242 F HA -0.065 4.462 4.527 -0.000 0.000 0.381 242 F C 0.118 175.933 175.800 0.026 0.000 1.069 242 F CA 0.387 58.407 58.000 0.033 0.000 1.231 242 F CB 0.412 39.410 39.000 -0.003 0.000 1.086 242 F HN -0.040 nan 8.300 nan 0.000 0.564 243 Q N 4.363 123.853 119.800 -0.517 0.000 2.312 243 Q HA 0.186 4.526 4.340 -0.000 0.000 0.263 243 Q C -0.796 175.002 176.000 -0.337 0.000 0.995 243 Q CA -1.004 54.583 55.803 -0.360 0.000 0.853 243 Q CB 1.589 30.093 28.738 -0.390 0.000 1.300 243 Q HN 0.608 nan 8.270 nan 0.000 0.448 244 D N 0.089 120.445 120.400 -0.073 0.000 2.371 244 D HA -0.023 4.617 4.640 -0.000 0.000 0.242 244 D C 0.970 177.235 176.300 -0.059 0.000 1.218 244 D CA 0.218 54.225 54.000 0.013 0.000 0.945 244 D CB 1.189 42.025 40.800 0.060 0.000 1.137 244 D HN 0.684 nan 8.370 nan 0.000 0.464 245 T N -1.491 113.052 114.554 -0.019 0.000 2.869 245 T HA -0.237 4.113 4.350 -0.000 0.000 0.270 245 T C 0.934 175.610 174.700 -0.040 0.000 1.082 245 T CA 1.442 63.522 62.100 -0.033 0.000 1.123 245 T CB -0.180 68.685 68.868 -0.006 0.000 0.856 245 T HN 0.514 nan 8.240 nan 0.000 0.499 246 D N 0.488 120.868 120.400 -0.033 0.000 2.340 246 D HA 0.247 4.887 4.640 -0.000 0.000 0.217 246 D C 1.650 177.919 176.300 -0.052 0.000 1.081 246 D CA 0.450 54.431 54.000 -0.032 0.000 0.842 246 D CB -0.539 40.252 40.800 -0.015 0.000 0.934 246 D HN 0.561 nan 8.370 nan 0.000 0.511 247 G N 0.475 109.225 108.800 -0.084 0.000 2.253 247 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.251 247 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.251 247 G C 0.325 175.139 174.900 -0.143 0.000 0.998 247 G CA 0.242 45.272 45.100 -0.117 0.000 0.621 247 G HN 0.440 nan 8.290 nan 0.000 0.524 248 K N 0.719 121.066 120.400 -0.089 0.000 2.202 248 K HA 0.393 4.713 4.320 -0.000 0.000 0.264 248 K C 0.113 176.670 176.600 -0.071 0.000 1.010 248 K CA -0.638 55.611 56.287 -0.063 0.000 0.940 248 K CB 0.509 33.014 32.500 0.009 0.000 0.983 248 K HN 0.471 nan 8.250 nan 0.000 0.475 249 H N 1.205 120.288 119.070 0.021 0.000 2.928 249 H HA -0.092 4.464 4.556 -0.000 0.000 0.338 249 H C 1.040 176.411 175.328 0.072 0.000 1.047 249 H CA -0.202 55.874 56.048 0.047 0.000 1.435 249 H CB 0.619 30.412 29.762 0.050 0.000 1.428 249 H HN 0.386 nan 8.280 nan 0.000 0.590 250 L N 3.687 125.059 121.223 0.248 0.000 2.072 250 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 250 L C 1.927 178.864 176.870 0.111 0.000 1.079 250 L CA 1.213 56.166 54.840 0.188 0.000 0.752 250 L CB -0.786 41.438 42.059 0.274 0.000 0.906 250 L HN 0.684 nan 8.230 nan 0.000 0.436 251 L N 0.697 121.980 121.223 0.099 0.000 2.013 251 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 251 L C -0.615 176.272 176.870 0.027 0.000 1.073 251 L CA 2.104 56.953 54.840 0.014 0.000 0.753 251 L CB -1.843 40.192 42.059 -0.039 0.000 0.890 251 L HN 0.216 nan 8.230 nan 0.000 0.432 252 P HA -0.102 nan 4.420 nan 0.000 0.230 252 P C 0.907 178.236 177.300 0.050 0.000 1.158 252 P CA 1.287 64.427 63.100 0.066 0.000 0.769 252 P CB -0.039 31.712 31.700 0.084 0.000 0.807 253 K N -0.977 119.452 120.400 0.047 0.000 2.418 253 K HA 0.119 4.439 4.320 -0.000 0.000 0.195 253 K C 0.695 177.304 176.600 0.015 0.000 1.035 253 K CA 0.142 56.449 56.287 0.033 0.000 1.003 253 K CB 0.029 32.552 32.500 0.039 0.000 0.793 253 K HN 0.209 nan 8.250 nan 0.000 0.494 254 I N 2.123 122.695 120.570 0.003 0.000 2.441 254 I HA 0.062 4.232 4.170 -0.000 0.000 0.287 254 I C 0.483 176.589 176.117 -0.019 0.000 1.049 254 I CA -0.661 60.629 61.300 -0.017 0.000 1.381 254 I CB 0.819 38.794 38.000 -0.042 0.000 1.409 254 I HN 0.043 nan 8.210 nan 0.000 0.523 255 R N 5.896 126.383 120.500 -0.021 0.000 2.522 255 R HA -0.026 4.314 4.340 -0.000 0.000 0.284 255 R C 0.033 176.314 176.300 -0.030 0.000 1.032 255 R CA -0.213 55.875 56.100 -0.020 0.000 1.049 255 R CB 0.356 30.645 30.300 -0.019 0.000 0.956 255 R HN 0.617 nan 8.270 nan 0.000 0.422 256 D N 2.775 123.159 120.400 -0.025 0.000 2.994 256 D HA -0.005 4.635 4.640 -0.000 0.000 0.240 256 D C -0.905 175.374 176.300 -0.035 0.000 1.195 256 D CA -0.086 53.893 54.000 -0.034 0.000 0.957 256 D CB 0.537 41.320 40.800 -0.028 0.000 1.105 256 D HN 0.204 nan 8.370 nan 0.000 0.477 257 S N 0.062 115.738 115.700 -0.040 0.000 2.774 257 S HA 0.547 5.017 4.470 -0.000 0.000 0.297 257 S C -0.518 174.051 174.600 -0.052 0.000 1.143 257 S CA -0.655 57.523 58.200 -0.037 0.000 1.090 257 S CB 0.647 63.831 63.200 -0.027 0.000 1.019 257 S HN 0.456 nan 8.310 nan 0.000 0.482 258 A N 3.847 126.630 122.820 -0.062 0.000 2.409 258 A HA 0.691 5.011 4.320 -0.000 0.000 0.262 258 A C 0.853 178.387 177.584 -0.083 0.000 1.113 258 A CA -0.035 51.948 52.037 -0.090 0.000 0.790 258 A CB 0.067 18.998 19.000 -0.116 0.000 1.046 258 A HN 0.956 nan 8.150 nan 0.000 0.496 259 G N 0.987 109.731 108.800 -0.093 0.000 2.528 259 G HA2 0.569 4.529 3.960 -0.000 0.000 0.289 259 G HA3 0.569 4.529 3.960 -0.000 0.000 0.289 259 G C -0.441 174.399 174.900 -0.101 0.000 1.192 259 G CA -0.364 44.688 45.100 -0.079 0.000 0.921 259 G HN 1.080 nan 8.290 nan 0.000 0.512 260 Q N -1.300 118.459 119.800 -0.069 0.000 2.472 260 Q HA 0.470 4.810 4.340 -0.000 0.000 0.281 260 Q C -1.200 174.765 176.000 -0.059 0.000 0.997 260 Q CA -0.976 54.797 55.803 -0.048 0.000 0.828 260 Q CB 1.977 30.724 28.738 0.014 0.000 1.443 260 Q HN 0.423 nan 8.270 nan 0.000 0.390 261 K N 0.193 120.541 120.400 -0.087 0.000 2.506 261 K HA 0.357 4.676 4.320 -0.000 0.000 0.204 261 K C 0.499 176.910 176.600 -0.315 0.000 1.045 261 K CA 0.441 56.645 56.287 -0.138 0.000 1.074 261 K CB 1.282 33.721 32.500 -0.102 0.000 0.842 261 K HN 0.963 nan 8.250 nan 0.000 0.514 262 G N 1.032 109.551 108.800 -0.468 0.000 2.436 262 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.204 262 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.204 262 G C 1.250 175.133 174.900 -1.694 0.000 1.026 262 G CA 0.381 44.872 45.100 -1.015 0.000 0.658 262 G HN 0.269 nan 8.290 nan 0.000 0.499 263 T N -0.133 113.633 114.554 -1.314 0.000 2.720 263 T HA 0.131 4.481 4.350 -0.000 0.000 0.268 263 T C 2.503 176.763 174.700 -0.734 0.000 1.037 263 T CA 2.270 63.799 62.100 -0.951 0.000 1.144 263 T CB -0.928 67.653 68.868 -0.478 0.000 0.864 263 T HN 1.360 nan 8.240 nan 0.000 0.444 264 G N 1.866 110.082 108.800 -0.972 0.000 2.433 264 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 264 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 264 G C 1.520 176.063 174.900 -0.595 0.000 1.186 264 G CA 1.066 45.414 45.100 -1.254 0.000 0.779 264 G HN 0.653 nan 8.290 nan 0.000 0.543 265 K N -0.638 119.492 120.400 -0.450 0.000 2.044 265 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 265 K C 2.267 178.828 176.600 -0.065 0.000 1.049 265 K CA 1.793 57.938 56.287 -0.237 0.000 0.927 265 K CB -0.314 32.082 32.500 -0.173 0.000 0.713 265 K HN 0.414 nan 8.250 nan 0.000 0.443 266 W N 1.322 122.545 121.300 -0.128 0.000 2.363 266 W HA -0.081 4.579 4.660 -0.000 0.000 0.296 266 W C 2.221 178.692 176.519 -0.080 0.000 1.212 266 W CA 1.246 58.550 57.345 -0.069 0.000 1.260 266 W CB -1.430 28.008 29.460 -0.035 0.000 1.131 266 W HN 0.176 nan 8.180 nan 0.000 0.530 267 T N 0.784 115.348 114.554 0.016 0.000 2.708 267 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 267 T C 2.139 176.811 174.700 -0.047 0.000 1.037 267 T CA 2.306 64.355 62.100 -0.085 0.000 1.146 267 T CB -0.764 67.969 68.868 -0.224 0.000 0.865 267 T HN 0.124 nan 8.240 nan 0.000 0.435 268 A N 1.116 123.880 122.820 -0.094 0.000 1.902 268 A HA -0.033 4.286 4.320 -0.000 0.000 0.217 268 A C 2.318 179.893 177.584 -0.016 0.000 1.181 268 A CA 1.303 53.285 52.037 -0.091 0.000 0.623 268 A CB -0.832 18.056 19.000 -0.187 0.000 0.818 268 A HN 0.528 nan 8.150 nan 0.000 0.443 269 I N -0.570 120.017 120.570 0.029 0.000 2.252 269 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 269 I C 2.680 178.847 176.117 0.083 0.000 1.102 269 I CA 1.327 62.664 61.300 0.063 0.000 1.385 269 I CB -0.264 37.797 38.000 0.103 0.000 1.064 269 I HN 0.223 nan 8.210 nan 0.000 0.414 270 S N 0.646 116.438 115.700 0.153 0.000 2.368 270 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 270 S C 2.282 177.022 174.600 0.233 0.000 1.030 270 S CA 1.317 59.670 58.200 0.255 0.000 0.999 270 S CB -0.335 63.099 63.200 0.390 0.000 0.844 270 S HN 0.535 nan 8.310 nan 0.000 0.459 271 A N 1.566 124.482 122.820 0.159 0.000 1.873 271 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 271 A C 2.132 179.777 177.584 0.102 0.000 1.193 271 A CA 1.524 53.641 52.037 0.133 0.000 0.629 271 A CB -0.926 18.111 19.000 0.061 0.000 0.826 271 A HN 0.460 nan 8.150 nan 0.000 0.447 272 L N -0.794 120.462 121.223 0.056 0.000 2.012 272 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 272 L C 2.645 179.513 176.870 -0.004 0.000 1.073 272 L CA 1.844 56.706 54.840 0.036 0.000 0.748 272 L CB -0.642 41.434 42.059 0.029 0.000 0.891 272 L HN 0.478 nan 8.230 nan 0.000 0.431 273 E N -0.859 119.296 120.200 -0.075 0.000 2.160 273 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 273 E C 1.364 177.754 176.600 -0.352 0.000 0.991 273 E CA 1.323 57.566 56.400 -0.261 0.000 0.810 273 E CB 0.008 29.450 29.700 -0.430 0.000 0.742 273 E HN 0.507 nan 8.360 nan 0.000 0.466 274 Y N -0.755 119.588 120.300 0.072 0.000 2.507 274 Y HA 0.287 4.837 4.550 -0.000 0.000 0.254 274 Y C 1.232 177.156 175.900 0.039 0.000 1.171 274 Y CA 0.155 58.279 58.100 0.040 0.000 1.238 274 Y CB 1.019 39.495 38.460 0.027 0.000 1.148 274 Y HN 0.029 nan 8.280 nan 0.000 0.525 275 G N 0.913 109.803 108.800 0.149 0.000 2.246 275 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.273 275 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.273 275 G C -0.432 174.547 174.900 0.133 0.000 1.055 275 G CA 0.280 45.452 45.100 0.120 0.000 0.851 275 G HN 0.127 nan 8.290 nan 0.000 0.500 276 V N 0.765 120.766 119.914 0.144 0.000 2.394 276 V HA 0.461 4.581 4.120 -0.000 0.000 0.282 276 V C -1.478 174.687 176.094 0.118 0.000 1.031 276 V CA -1.607 60.774 62.300 0.135 0.000 0.881 276 V CB 1.791 33.695 31.823 0.135 0.000 0.982 276 V HN 0.182 nan 8.190 nan 0.000 0.451 277 P HA 0.154 nan 4.420 nan 0.000 0.237 277 P C -0.149 177.176 177.300 0.043 0.000 1.788 277 P CA -0.060 63.131 63.100 0.151 0.000 1.061 277 P CB -0.011 31.863 31.700 0.290 0.000 1.967 278 V N 2.136 122.047 119.914 -0.006 0.000 2.071 278 V HA -0.005 4.115 4.120 -0.000 0.000 0.254 278 V C 1.972 178.012 176.094 -0.091 0.000 1.456 278 V CA 0.515 62.759 62.300 -0.094 0.000 1.383 278 V CB -0.980 30.805 31.823 -0.064 0.000 1.433 278 V HN 0.409 nan 8.190 nan 0.000 0.499 279 T N -0.263 114.230 114.554 -0.102 0.000 2.821 279 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 279 T C 1.750 176.431 174.700 -0.031 0.000 1.046 279 T CA 0.931 63.019 62.100 -0.021 0.000 1.139 279 T CB -0.119 68.781 68.868 0.054 0.000 0.871 279 T HN 0.398 nan 8.240 nan 0.000 0.454 280 L N -0.145 121.033 121.223 -0.076 0.000 2.017 280 L HA 0.020 4.359 4.340 -0.000 0.000 0.208 280 L C 2.632 179.469 176.870 -0.056 0.000 1.073 280 L CA 1.168 55.980 54.840 -0.047 0.000 0.745 280 L CB -0.506 41.513 42.059 -0.067 0.000 0.894 280 L HN 0.245 nan 8.230 nan 0.000 0.432 281 I N 0.095 120.609 120.570 -0.094 0.000 2.226 281 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 281 I C 2.263 178.296 176.117 -0.139 0.000 1.100 281 I CA 1.698 62.930 61.300 -0.114 0.000 1.374 281 I CB -0.848 37.052 38.000 -0.166 0.000 1.057 281 I HN 0.140 nan 8.210 nan 0.000 0.413 282 G N 0.054 108.762 108.800 -0.153 0.000 2.491 282 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 282 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 282 G C 1.542 176.306 174.900 -0.226 0.000 1.180 282 G CA 0.805 45.751 45.100 -0.257 0.000 0.774 282 G HN 0.419 nan 8.290 nan 0.000 0.562 283 E N 0.856 121.041 120.200 -0.026 0.000 2.077 283 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 283 E C 2.960 179.596 176.600 0.061 0.000 0.989 283 E CA 1.011 57.461 56.400 0.084 0.000 0.800 283 E CB -0.584 29.172 29.700 0.094 0.000 0.746 283 E HN 0.364 nan 8.360 nan 0.000 0.452 284 A N 1.043 123.873 122.820 0.016 0.000 1.883 284 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 284 A C 2.639 180.258 177.584 0.059 0.000 1.186 284 A CA 1.640 53.700 52.037 0.038 0.000 0.624 284 A CB -0.748 18.293 19.000 0.069 0.000 0.822 284 A HN 0.140 nan 8.150 nan 0.000 0.444 285 V N -1.114 118.810 119.914 0.016 0.000 2.307 285 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 285 V C 2.337 178.456 176.094 0.042 0.000 1.045 285 V CA 1.937 64.241 62.300 0.008 0.000 1.024 285 V CB -0.964 30.753 31.823 -0.178 0.000 0.651 285 V HN 0.533 nan 8.190 nan 0.000 0.449 286 F N 0.923 120.896 119.950 0.039 0.000 2.216 286 F HA -0.104 4.422 4.527 -0.000 0.000 0.300 286 F C 2.421 178.231 175.800 0.017 0.000 1.085 286 F CA 0.834 58.850 58.000 0.026 0.000 1.326 286 F CB -1.403 37.613 39.000 0.027 0.000 1.027 286 F HN 0.113 nan 8.300 nan 0.000 0.497 287 A N 0.332 123.268 122.820 0.195 0.000 1.908 287 A HA -0.208 4.111 4.320 -0.000 0.000 0.218 287 A C 2.446 180.065 177.584 0.058 0.000 1.181 287 A CA 1.577 53.675 52.037 0.103 0.000 0.627 287 A CB -0.616 18.421 19.000 0.061 0.000 0.818 287 A HN 0.290 nan 8.150 nan 0.000 0.445 288 R N -0.826 119.697 120.500 0.037 0.000 2.081 288 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 288 R C 2.316 178.634 176.300 0.030 0.000 1.131 288 R CA 1.583 57.681 56.100 -0.003 0.000 0.960 288 R CB -0.956 29.317 30.300 -0.046 0.000 0.856 288 R HN 0.630 nan 8.270 nan 0.000 0.436 289 C N 0.892 120.242 119.300 0.085 0.000 2.413 289 C HA -0.124 4.336 4.460 -0.000 0.000 0.276 289 C C 2.639 177.663 174.990 0.056 0.000 1.236 289 C CA 0.409 59.480 59.018 0.089 0.000 1.735 289 C CB -1.038 26.804 27.740 0.170 0.000 2.031 289 C HN 0.451 nan 8.230 nan 0.000 0.474 290 L N 2.413 123.673 121.223 0.061 0.000 2.042 290 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 290 L C 2.720 179.601 176.870 0.019 0.000 1.076 290 L CA 2.700 57.559 54.840 0.032 0.000 0.749 290 L CB -0.958 41.125 42.059 0.039 0.000 0.893 290 L HN 0.479 nan 8.230 nan 0.000 0.432 291 S N -2.116 113.592 115.700 0.014 0.000 2.399 291 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 291 S C 1.969 176.566 174.600 -0.005 0.000 1.022 291 S CA 1.246 59.445 58.200 -0.003 0.000 0.983 291 S CB -0.780 62.408 63.200 -0.020 0.000 0.803 291 S HN 0.519 nan 8.310 nan 0.000 0.480 292 S N 1.794 117.493 115.700 -0.000 0.000 2.423 292 S HA 0.203 4.673 4.470 -0.000 0.000 0.231 292 S C 1.172 175.773 174.600 0.001 0.000 1.014 292 S CA 0.665 58.864 58.200 -0.002 0.000 0.965 292 S CB -0.497 62.706 63.200 0.004 0.000 0.785 292 S HN 0.525 nan 8.310 nan 0.000 0.495 293 L N 2.095 123.320 121.223 0.004 0.000 2.873 293 L HA 0.119 4.459 4.340 -0.000 0.000 0.252 293 L C 1.823 178.694 176.870 0.002 0.000 1.266 293 L CA -0.045 54.796 54.840 0.003 0.000 1.111 293 L CB -0.420 41.641 42.059 0.002 0.000 1.440 293 L HN 0.161 nan 8.230 nan 0.000 0.427 294 K N 0.939 121.339 120.400 0.000 0.000 2.044 294 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 294 K C 1.469 178.070 176.600 0.002 0.000 1.049 294 K CA 1.894 58.181 56.287 0.000 0.000 0.927 294 K CB 0.024 32.522 32.500 -0.003 0.000 0.713 294 K HN 0.251 nan 8.250 nan 0.000 0.443 295 D N 0.513 120.914 120.400 0.002 0.000 2.117 295 D HA -0.148 4.491 4.640 -0.000 0.000 0.197 295 D C 1.820 178.122 176.300 0.003 0.000 0.987 295 D CA 1.255 55.256 54.000 0.003 0.000 0.829 295 D CB -0.119 40.682 40.800 0.002 0.000 0.961 295 D HN 0.463 nan 8.370 nan 0.000 0.460 296 E N 0.420 120.621 120.200 0.003 0.000 2.110 296 E HA -0.140 4.209 4.350 -0.000 0.000 0.193 296 E C 2.228 178.831 176.600 0.005 0.000 0.988 296 E CA 0.602 57.004 56.400 0.002 0.000 0.804 296 E CB 0.036 29.736 29.700 0.000 0.000 0.745 296 E HN 0.239 nan 8.360 nan 0.000 0.458 297 R N 0.277 120.780 120.500 0.006 0.000 2.090 297 R HA -0.046 4.293 4.340 -0.000 0.000 0.228 297 R C 2.422 178.730 176.300 0.012 0.000 1.110 297 R CA 0.766 56.872 56.100 0.010 0.000 0.973 297 R CB -0.177 30.130 30.300 0.012 0.000 0.869 297 R HN 0.200 nan 8.270 nan 0.000 0.440 298 I N 0.662 121.239 120.570 0.011 0.000 2.179 298 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 298 I C 2.666 178.790 176.117 0.011 0.000 1.088 298 I CA 1.290 62.597 61.300 0.012 0.000 1.357 298 I CB -0.364 37.641 38.000 0.009 0.000 1.051 298 I HN 0.121 nan 8.210 nan 0.000 0.409 299 Q N 1.654 121.459 119.800 0.008 0.000 2.045 299 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 299 Q C 2.166 178.171 176.000 0.008 0.000 0.991 299 Q CA 2.673 58.480 55.803 0.007 0.000 0.851 299 Q CB -0.441 28.300 28.738 0.005 0.000 0.911 299 Q HN 0.488 nan 8.270 nan 0.000 0.418 300 A N -0.085 122.740 122.820 0.008 0.000 2.015 300 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 300 A C 2.222 179.814 177.584 0.013 0.000 1.163 300 A CA 1.753 53.795 52.037 0.009 0.000 0.646 300 A CB -0.957 18.048 19.000 0.008 0.000 0.806 300 A HN 0.625 nan 8.150 nan 0.000 0.448 301 S N -0.147 115.562 115.700 0.015 0.000 2.442 301 S HA -0.147 4.323 4.470 -0.000 0.000 0.236 301 S C 1.651 176.261 174.600 0.017 0.000 1.007 301 S CA 1.525 59.737 58.200 0.019 0.000 0.965 301 S CB -0.271 62.943 63.200 0.023 0.000 0.773 301 S HN 0.602 nan 8.310 nan 0.000 0.504 302 K N 1.056 121.465 120.400 0.014 0.000 2.305 302 K HA 0.139 4.458 4.320 -0.000 0.000 0.199 302 K C 2.056 178.663 176.600 0.011 0.000 1.047 302 K CA 0.892 57.186 56.287 0.013 0.000 0.976 302 K CB 0.101 32.607 32.500 0.011 0.000 0.765 302 K HN 0.488 nan 8.250 nan 0.000 0.474 303 K N -0.058 120.348 120.400 0.010 0.000 2.387 303 K HA 0.182 4.501 4.320 -0.000 0.000 0.197 303 K C 0.146 176.752 176.600 0.009 0.000 1.127 303 K CA 0.118 56.410 56.287 0.009 0.000 0.950 303 K CB 0.518 33.022 32.500 0.006 0.000 1.017 303 K HN -0.008 nan 8.250 nan 0.000 0.519 304 L N 3.051 124.280 121.223 0.011 0.000 2.257 304 L HA 0.313 4.653 4.340 -0.000 0.000 0.290 304 L C -0.313 176.566 176.870 0.014 0.000 1.044 304 L CA -0.602 54.245 54.840 0.011 0.000 0.810 304 L CB 0.830 42.896 42.059 0.010 0.000 1.193 304 L HN -0.078 nan 8.230 nan 0.000 0.425 305 K N 1.599 122.007 120.400 0.013 0.000 2.098 305 K HA 0.577 4.897 4.320 -0.000 0.000 0.261 305 K C 0.497 177.106 176.600 0.015 0.000 0.987 305 K CA -0.459 55.837 56.287 0.016 0.000 0.916 305 K CB 1.699 34.208 32.500 0.015 0.000 1.039 305 K HN 0.702 nan 8.250 nan 0.000 0.455 306 G N 1.355 110.165 108.800 0.017 0.000 2.606 306 G HA2 0.338 4.298 3.960 -0.000 0.000 0.262 306 G HA3 0.338 4.298 3.960 -0.000 0.000 0.262 306 G C -2.288 172.621 174.900 0.015 0.000 1.394 306 G CA -1.056 44.051 45.100 0.012 0.000 1.044 306 G HN 0.370 nan 8.290 nan 0.000 0.553 307 P HA 0.349 nan 4.420 nan 0.000 0.262 307 P C 0.735 178.069 177.300 0.056 0.000 1.199 307 P CA 0.513 63.630 63.100 0.029 0.000 0.763 307 P CB 0.742 32.449 31.700 0.011 0.000 0.790 308 Q N 2.981 122.813 119.800 0.053 0.000 2.049 308 Q HA 0.049 4.389 4.340 -0.000 0.000 0.198 308 Q C 1.590 177.630 176.000 0.068 0.000 0.971 308 Q CA 1.956 57.789 55.803 0.051 0.000 0.833 308 Q CB -0.979 27.780 28.738 0.034 0.000 0.896 308 Q HN 0.510 nan 8.270 nan 0.000 0.434 309 K N 0.106 120.553 120.400 0.079 0.000 2.724 309 K HA 0.612 4.932 4.320 -0.000 0.000 0.198 309 K C -0.931 175.738 176.600 0.114 0.000 1.099 309 K CA -0.652 55.676 56.287 0.069 0.000 1.025 309 K CB -0.401 32.119 32.500 0.034 0.000 1.509 309 K HN 0.533 nan 8.250 nan 0.000 0.564 310 F N 1.270 121.216 119.950 -0.007 0.000 2.444 310 F HA 0.610 5.137 4.527 -0.000 0.000 0.342 310 F C 0.054 175.852 175.800 -0.003 0.000 1.121 310 F CA -0.470 57.525 58.000 -0.008 0.000 0.997 310 F CB 1.952 40.950 39.000 -0.005 0.000 1.130 310 F HN 0.452 nan 8.300 nan 0.000 0.454 311 Q N 5.881 125.168 119.800 -0.854 0.000 2.285 311 Q HA 0.403 4.743 4.340 -0.000 0.000 0.269 311 Q C -1.760 173.677 176.000 -0.938 0.000 1.030 311 Q CA -0.873 54.532 55.803 -0.664 0.000 0.788 311 Q CB 1.487 30.042 28.738 -0.306 0.000 1.266 311 Q HN 0.816 nan 8.270 nan 0.000 0.438 312 F N 2.243 121.727 119.950 -0.777 0.000 2.502 312 F HA 0.467 4.993 4.527 -0.000 0.000 0.371 312 F C 0.589 176.201 175.800 -0.312 0.000 1.083 312 F CA 0.854 58.554 58.000 -0.501 0.000 1.174 312 F CB 0.442 39.300 39.000 -0.237 0.000 1.096 312 F HN 0.689 nan 8.300 nan 0.000 0.545 313 D N 4.855 124.768 120.400 -0.811 0.000 2.634 313 D HA 0.572 5.212 4.640 -0.000 0.000 0.318 313 D C 0.101 175.986 176.300 -0.691 0.000 1.226 313 D CA 0.078 53.747 54.000 -0.552 0.000 0.899 313 D CB 0.450 41.040 40.800 -0.349 0.000 1.025 313 D HN 0.940 nan 8.370 nan 0.000 0.501 314 G N -0.497 107.703 108.800 -1.000 0.000 2.788 314 G HA2 0.487 4.447 3.960 -0.000 0.000 0.293 314 G HA3 0.487 4.447 3.960 -0.000 0.000 0.293 314 G C -1.407 173.491 174.900 -0.003 0.000 1.392 314 G CA -0.580 44.165 45.100 -0.592 0.000 0.810 314 G HN 0.223 nan 8.290 nan 0.000 0.508 315 D N -0.116 120.366 120.400 0.136 0.000 2.338 315 D HA 0.208 4.847 4.640 -0.000 0.000 0.255 315 D C 1.402 177.920 176.300 0.363 0.000 1.237 315 D CA -0.087 54.046 54.000 0.222 0.000 0.883 315 D CB 1.043 41.927 40.800 0.140 0.000 1.087 315 D HN 0.335 nan 8.370 nan 0.000 0.485 316 K N 3.086 123.671 120.400 0.307 0.000 2.063 316 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 316 K C 1.703 178.404 176.600 0.169 0.000 1.048 316 K CA 1.205 57.598 56.287 0.178 0.000 0.928 316 K CB 0.071 32.610 32.500 0.065 0.000 0.713 316 K HN 0.336 nan 8.250 nan 0.000 0.442 317 K N 0.817 121.301 120.400 0.140 0.000 2.026 317 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 317 K C 2.360 179.043 176.600 0.137 0.000 1.048 317 K CA 1.715 58.071 56.287 0.115 0.000 0.929 317 K CB -0.182 32.370 32.500 0.086 0.000 0.713 317 K HN 0.028 nan 8.250 nan 0.000 0.439 318 S N -0.407 115.391 115.700 0.163 0.000 2.368 318 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 318 S C 1.789 176.505 174.600 0.193 0.000 1.030 318 S CA 1.155 59.449 58.200 0.156 0.000 0.999 318 S CB -0.447 62.847 63.200 0.157 0.000 0.844 318 S HN 0.441 nan 8.310 nan 0.000 0.459 319 F N 1.387 121.415 119.950 0.130 0.000 2.259 319 F HA 0.113 4.640 4.527 -0.000 0.000 0.298 319 F C 1.775 177.615 175.800 0.067 0.000 1.088 319 F CA 0.912 58.985 58.000 0.121 0.000 1.358 319 F CB -0.352 38.764 39.000 0.193 0.000 1.040 319 F HN 0.289 nan 8.300 nan 0.000 0.505 320 L N 0.657 121.967 121.223 0.145 0.000 2.046 320 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 320 L C 2.292 179.214 176.870 0.087 0.000 1.077 320 L CA 2.114 57.033 54.840 0.132 0.000 0.747 320 L CB -0.958 41.199 42.059 0.164 0.000 0.896 320 L HN 0.163 nan 8.230 nan 0.000 0.432 321 E N -0.280 119.942 120.200 0.037 0.000 2.110 321 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 321 E C 1.819 178.308 176.600 -0.186 0.000 0.988 321 E CA 1.577 57.947 56.400 -0.050 0.000 0.804 321 E CB -0.282 29.411 29.700 -0.013 0.000 0.745 321 E HN 0.524 nan 8.360 nan 0.000 0.458 322 D N 0.095 120.368 120.400 -0.212 0.000 2.104 322 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 322 D C 2.054 178.105 176.300 -0.415 0.000 0.994 322 D CA 1.320 55.132 54.000 -0.314 0.000 0.830 322 D CB -0.280 40.265 40.800 -0.426 0.000 0.959 322 D HN 0.317 nan 8.370 nan 0.000 0.452 323 I N 0.515 120.796 120.570 -0.481 0.000 2.208 323 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 323 I C 2.646 178.491 176.117 -0.454 0.000 1.097 323 I CA 0.892 61.960 61.300 -0.386 0.000 1.363 323 I CB -0.203 37.713 38.000 -0.141 0.000 1.051 323 I HN -0.034 nan 8.210 nan 0.000 0.413 324 R N 1.382 121.458 120.500 -0.707 0.000 2.073 324 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 324 R C 2.321 178.260 176.300 -0.602 0.000 1.134 324 R CA 1.486 56.879 56.100 -1.180 0.000 0.952 324 R CB -0.008 29.475 30.300 -1.361 0.000 0.850 324 R HN 0.261 nan 8.270 nan 0.000 0.433 325 K N -0.043 120.114 120.400 -0.405 0.000 2.057 325 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 325 K C 2.089 178.517 176.600 -0.287 0.000 1.050 325 K CA 1.212 57.351 56.287 -0.247 0.000 0.935 325 K CB -0.201 32.191 32.500 -0.181 0.000 0.715 325 K HN 0.230 nan 8.250 nan 0.000 0.439 326 A N 1.827 124.444 122.820 -0.340 0.000 1.902 326 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 326 A C 2.193 179.627 177.584 -0.250 0.000 1.181 326 A CA 1.160 52.915 52.037 -0.470 0.000 0.623 326 A CB -0.537 18.166 19.000 -0.494 0.000 0.818 326 A HN 0.205 nan 8.150 nan 0.000 0.443 327 L N -1.694 119.525 121.223 -0.006 0.000 2.046 327 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 327 L C 2.293 179.192 176.870 0.048 0.000 1.077 327 L CA 2.231 57.181 54.840 0.183 0.000 0.747 327 L CB -0.936 41.182 42.059 0.099 0.000 0.896 327 L HN 0.520 nan 8.230 nan 0.000 0.432 328 Y N 0.304 120.486 120.300 -0.197 0.000 2.145 328 Y HA -0.218 4.331 4.550 -0.000 0.000 0.286 328 Y C 2.399 178.178 175.900 -0.201 0.000 1.145 328 Y CA 1.567 59.581 58.100 -0.143 0.000 1.148 328 Y CB -0.909 37.444 38.460 -0.179 0.000 0.981 328 Y HN 0.255 nan 8.280 nan 0.000 0.507 329 A N -0.764 121.724 122.820 -0.552 0.000 1.877 329 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 329 A C 2.461 179.607 177.584 -0.729 0.000 1.186 329 A CA 2.207 53.702 52.037 -0.903 0.000 0.620 329 A CB -1.177 16.877 19.000 -1.577 0.000 0.822 329 A HN 0.490 nan 8.150 nan 0.000 0.443 330 S N -0.434 114.907 115.700 -0.598 0.000 2.368 330 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 330 S C 1.978 176.580 174.600 0.002 0.000 1.030 330 S CA 1.443 59.576 58.200 -0.113 0.000 0.999 330 S CB -0.262 63.023 63.200 0.142 0.000 0.844 330 S HN 0.644 nan 8.310 nan 0.000 0.459 331 K N 1.136 121.556 120.400 0.033 0.000 2.063 331 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 331 K C 2.014 178.795 176.600 0.302 0.000 1.048 331 K CA 1.285 57.703 56.287 0.218 0.000 0.928 331 K CB -0.313 32.376 32.500 0.315 0.000 0.713 331 K HN 0.316 nan 8.250 nan 0.000 0.442 332 I N 1.291 121.899 120.570 0.062 0.000 2.127 332 I HA -0.329 3.841 4.170 -0.000 0.000 0.241 332 I C 2.188 178.322 176.117 0.030 0.000 1.075 332 I CA 0.846 62.119 61.300 -0.045 0.000 1.334 332 I CB -0.253 37.587 38.000 -0.266 0.000 1.040 332 I HN 0.194 nan 8.210 nan 0.000 0.405 333 I N 0.193 120.791 120.570 0.045 0.000 2.113 333 I HA -0.369 3.801 4.170 -0.000 0.000 0.242 333 I C 2.779 178.905 176.117 0.016 0.000 1.064 333 I CA 1.674 63.023 61.300 0.082 0.000 1.320 333 I CB -1.636 36.478 38.000 0.189 0.000 1.028 333 I HN 0.258 nan 8.210 nan 0.000 0.406 334 S N 0.060 115.795 115.700 0.058 0.000 2.368 334 S HA -0.252 4.218 4.470 -0.000 0.000 0.226 334 S C 2.207 176.813 174.600 0.011 0.000 1.044 334 S CA 1.689 59.889 58.200 0.000 0.000 1.062 334 S CB -0.422 62.782 63.200 0.006 0.000 0.931 334 S HN 0.396 nan 8.310 nan 0.000 0.440 335 Y N 1.461 121.816 120.300 0.091 0.000 2.200 335 Y HA 0.031 4.581 4.550 -0.000 0.000 0.290 335 Y C 2.709 178.730 175.900 0.202 0.000 1.137 335 Y CA 0.913 59.139 58.100 0.211 0.000 1.163 335 Y CB -0.829 37.798 38.460 0.278 0.000 0.988 335 Y HN 0.370 nan 8.280 nan 0.000 0.518 336 A N -0.110 122.805 122.820 0.158 0.000 1.902 336 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 336 A C 2.102 179.727 177.584 0.067 0.000 1.181 336 A CA 1.914 53.982 52.037 0.051 0.000 0.623 336 A CB -0.687 18.287 19.000 -0.043 0.000 0.818 336 A HN 0.533 nan 8.150 nan 0.000 0.443 337 Q N -0.908 118.865 119.800 -0.045 0.000 2.050 337 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 337 Q C 2.284 178.280 176.000 -0.007 0.000 0.980 337 Q CA 1.159 56.892 55.803 -0.116 0.000 0.840 337 Q CB -0.507 28.073 28.738 -0.264 0.000 0.898 337 Q HN 0.689 nan 8.270 nan 0.000 0.424 338 G N 0.265 109.071 108.800 0.011 0.000 2.513 338 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 338 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 338 G C 1.014 175.919 174.900 0.007 0.000 1.160 338 G CA 0.851 45.941 45.100 -0.017 0.000 0.767 338 G HN 0.253 nan 8.290 nan 0.000 0.571 339 F N 0.296 120.321 119.950 0.125 0.000 2.456 339 F HA 0.221 4.748 4.527 -0.000 0.000 0.298 339 F C 2.869 178.702 175.800 0.055 0.000 1.104 339 F CA 0.649 58.729 58.000 0.134 0.000 1.435 339 F CB -0.090 39.023 39.000 0.188 0.000 1.078 339 F HN 0.047 nan 8.300 nan 0.000 0.546 340 M N -0.879 118.833 119.600 0.188 0.000 2.117 340 M HA -0.197 4.283 4.480 -0.000 0.000 0.262 340 M C 2.188 178.551 176.300 0.106 0.000 1.065 340 M CA 1.416 56.785 55.300 0.114 0.000 1.114 340 M CB -0.517 32.135 32.600 0.088 0.000 1.361 340 M HN 0.205 nan 8.290 nan 0.000 0.408 341 L N 0.526 121.817 121.223 0.114 0.000 2.109 341 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 341 L C 2.036 179.048 176.870 0.236 0.000 1.086 341 L CA 1.648 56.585 54.840 0.162 0.000 0.760 341 L CB -0.492 41.650 42.059 0.137 0.000 0.910 341 L HN 0.233 nan 8.230 nan 0.000 0.437 342 L N -0.788 120.565 121.223 0.217 0.000 1.994 342 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 342 L C 2.767 179.795 176.870 0.264 0.000 1.071 342 L CA 1.544 56.556 54.840 0.287 0.000 0.745 342 L CB -0.617 41.582 42.059 0.234 0.000 0.892 342 L HN 0.268 nan 8.230 nan 0.000 0.431 343 R N 0.433 121.022 120.500 0.150 0.000 2.103 343 R HA -0.252 4.088 4.340 -0.000 0.000 0.242 343 R C 2.250 178.572 176.300 0.037 0.000 1.142 343 R CA 1.843 57.981 56.100 0.063 0.000 0.960 343 R CB -0.525 29.726 30.300 -0.081 0.000 0.858 343 R HN 0.231 nan 8.270 nan 0.000 0.439 344 Q N -0.316 119.486 119.800 0.004 0.000 2.124 344 Q HA 0.022 4.362 4.340 -0.000 0.000 0.202 344 Q C 1.895 177.717 176.000 -0.296 0.000 0.977 344 Q CA 2.136 57.878 55.803 -0.103 0.000 0.850 344 Q CB -0.470 28.241 28.738 -0.044 0.000 0.901 344 Q HN 0.445 nan 8.270 nan 0.000 0.429 345 A N 0.260 122.926 122.820 -0.257 0.000 1.877 345 A HA -0.101 4.218 4.320 -0.000 0.000 0.216 345 A C 2.306 179.610 177.584 -0.467 0.000 1.186 345 A CA 1.975 53.703 52.037 -0.516 0.000 0.620 345 A CB -1.295 17.299 19.000 -0.677 0.000 0.822 345 A HN 0.505 nan 8.150 nan 0.000 0.443 346 A N -1.143 121.585 122.820 -0.153 0.000 1.917 346 A HA -0.156 4.163 4.320 -0.000 0.000 0.219 346 A C 2.329 179.792 177.584 -0.202 0.000 1.182 346 A CA 2.535 54.532 52.037 -0.066 0.000 0.633 346 A CB -1.336 17.732 19.000 0.114 0.000 0.819 346 A HN 0.447 nan 8.150 nan 0.000 0.448 347 T N -0.930 113.486 114.554 -0.231 0.000 2.701 347 T HA -0.107 4.243 4.350 -0.000 0.000 0.263 347 T C 1.950 176.394 174.700 -0.426 0.000 1.040 347 T CA 1.698 63.648 62.100 -0.249 0.000 1.147 347 T CB -0.245 68.504 68.868 -0.197 0.000 0.865 347 T HN 0.571 nan 8.240 nan 0.000 0.426 348 E N 0.285 120.049 120.200 -0.728 0.000 2.085 348 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 348 E C 1.193 177.129 176.600 -1.106 0.000 0.994 348 E CA 1.387 57.114 56.400 -1.122 0.000 0.801 348 E CB -0.147 28.341 29.700 -2.021 0.000 0.743 348 E HN 0.586 nan 8.360 nan 0.000 0.453 349 F N -2.504 117.037 119.950 -0.682 0.000 2.728 349 F HA 0.390 4.917 4.527 -0.000 0.000 0.314 349 F C 1.553 176.998 175.800 -0.591 0.000 1.094 349 F CA 0.315 57.836 58.000 -0.799 0.000 1.217 349 F CB 0.785 38.825 39.000 -1.601 0.000 1.056 349 F HN 0.107 nan 8.300 nan 0.000 0.577 350 G N -0.706 107.917 108.800 -0.296 0.000 2.159 350 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.256 350 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.256 350 G C 0.008 174.946 174.900 0.064 0.000 0.977 350 G CA -0.389 44.656 45.100 -0.092 0.000 0.652 350 G HN 0.130 nan 8.290 nan 0.000 0.531 351 W N 1.763 123.060 121.300 -0.004 0.000 2.223 351 W HA 0.461 5.121 4.660 -0.000 0.000 0.334 351 W C 1.149 177.621 176.519 -0.079 0.000 1.334 351 W CA 0.327 57.643 57.345 -0.048 0.000 1.246 351 W CB -0.255 29.152 29.460 -0.089 0.000 1.184 351 W HN 0.352 nan 8.180 nan 0.000 0.563 352 T N 1.969 116.610 114.554 0.144 0.000 3.364 352 T HA 0.484 4.834 4.350 -0.000 0.000 0.323 352 T C 0.115 174.751 174.700 -0.107 0.000 1.323 352 T CA -0.602 61.504 62.100 0.010 0.000 1.073 352 T CB -0.354 68.520 68.868 0.009 0.000 1.150 352 T HN 0.159 nan 8.240 nan 0.000 0.727 353 L N 2.911 124.008 121.223 -0.210 0.000 2.349 353 L HA 0.375 4.715 4.340 -0.000 0.000 0.275 353 L C 0.766 177.204 176.870 -0.720 0.000 1.115 353 L CA -0.736 53.845 54.840 -0.432 0.000 0.820 353 L CB 0.595 42.397 42.059 -0.428 0.000 1.135 353 L HN 0.506 nan 8.230 nan 0.000 0.445 354 N N 2.393 120.771 118.700 -0.536 0.000 2.678 354 N HA 0.092 4.832 4.740 -0.000 0.000 0.231 354 N C 0.423 175.667 175.510 -0.443 0.000 1.038 354 N CA -0.208 52.574 53.050 -0.448 0.000 0.932 354 N CB 0.491 38.837 38.487 -0.234 0.000 1.176 354 N HN 0.339 nan 8.380 nan 0.000 0.511 355 Y N 1.708 121.844 120.300 -0.273 0.000 2.145 355 Y HA -0.017 4.533 4.550 -0.000 0.000 0.286 355 Y C 2.364 178.178 175.900 -0.144 0.000 1.145 355 Y CA 1.548 59.458 58.100 -0.317 0.000 1.148 355 Y CB -0.717 37.111 38.460 -1.053 0.000 0.981 355 Y HN 0.528 nan 8.280 nan 0.000 0.507 356 G N -0.123 108.682 108.800 0.008 0.000 2.440 356 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.218 356 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.218 356 G C 2.048 176.967 174.900 0.032 0.000 1.154 356 G CA 1.009 46.180 45.100 0.119 0.000 0.767 356 G HN 0.547 nan 8.290 nan 0.000 0.552 357 G N 0.889 109.663 108.800 -0.044 0.000 2.418 357 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 357 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 357 G C 1.779 176.584 174.900 -0.159 0.000 1.158 357 G CA 0.785 45.836 45.100 -0.082 0.000 0.771 357 G HN 0.442 nan 8.290 nan 0.000 0.545 358 I N 1.393 121.823 120.570 -0.234 0.000 2.179 358 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 358 I C 3.299 179.026 176.117 -0.649 0.000 1.088 358 I CA 0.986 61.989 61.300 -0.496 0.000 1.357 358 I CB -0.188 37.501 38.000 -0.519 0.000 1.051 358 I HN 0.240 nan 8.210 nan 0.000 0.409 359 A N 0.901 123.604 122.820 -0.196 0.000 1.917 359 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 359 A C 2.294 179.917 177.584 0.066 0.000 1.182 359 A CA 1.626 53.702 52.037 0.064 0.000 0.633 359 A CB -0.953 18.181 19.000 0.223 0.000 0.819 359 A HN 0.415 nan 8.150 nan 0.000 0.448 360 L N -1.441 119.790 121.223 0.014 0.000 2.083 360 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 360 L C 2.747 179.647 176.870 0.051 0.000 1.083 360 L CA 1.488 56.358 54.840 0.050 0.000 0.752 360 L CB -0.606 41.474 42.059 0.034 0.000 0.899 360 L HN 0.433 nan 8.230 nan 0.000 0.433 361 M N -1.563 118.007 119.600 -0.049 0.000 2.358 361 M HA -0.197 4.283 4.480 -0.000 0.000 0.264 361 M C 1.360 177.795 176.300 0.225 0.000 1.064 361 M CA 1.472 56.776 55.300 0.007 0.000 1.093 361 M CB -0.241 32.293 32.600 -0.110 0.000 1.401 361 M HN 0.317 nan 8.290 nan 0.000 0.440 362 W N 0.000 121.381 121.300 0.134 0.000 3.290 362 W HA 0.166 4.826 4.660 -0.000 0.000 0.287 362 W C 1.686 178.275 176.519 0.117 0.000 1.288 362 W CA -0.036 57.398 57.345 0.148 0.000 1.725 362 W CB -0.771 28.820 29.460 0.218 0.000 1.103 362 W HN 0.216 nan 8.180 nan 0.000 0.670 363 R N -0.236 120.438 120.500 0.291 0.000 2.235 363 R HA 0.132 4.472 4.340 -0.000 0.000 0.213 363 R C 1.216 177.603 176.300 0.146 0.000 1.059 363 R CA 0.873 57.089 56.100 0.193 0.000 0.997 363 R CB -0.070 30.316 30.300 0.143 0.000 0.884 363 R HN -0.016 nan 8.270 nan 0.000 0.462 364 G N -2.356 106.530 108.800 0.143 0.000 2.660 364 G HA2 0.418 4.378 3.960 -0.000 0.000 0.294 364 G HA3 0.418 4.378 3.960 -0.000 0.000 0.294 364 G C -0.081 174.861 174.900 0.071 0.000 1.369 364 G CA -0.331 44.828 45.100 0.098 0.000 0.912 364 G HN 0.069 nan 8.290 nan 0.000 0.479 365 G N -1.588 107.228 108.800 0.028 0.000 2.341 365 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.292 365 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.292 365 G C 0.348 175.203 174.900 -0.075 0.000 1.021 365 G CA 0.944 46.033 45.100 -0.018 0.000 0.905 365 G HN 1.646 nan 8.290 nan 0.000 0.508 366 C N -0.009 119.215 119.300 -0.127 0.000 2.609 366 C HA 0.646 5.106 4.460 -0.000 0.000 0.313 366 C C 1.674 176.479 174.990 -0.308 0.000 1.175 366 C CA -0.845 58.112 59.018 -0.101 0.000 1.434 366 C CB 0.521 28.309 27.740 0.079 0.000 2.005 366 C HN 0.306 nan 8.230 nan 0.000 0.471 367 I N 4.694 125.093 120.570 -0.284 0.000 2.493 367 I HA -0.069 4.100 4.170 -0.000 0.000 0.254 367 I C 1.680 177.703 176.117 -0.156 0.000 1.160 367 I CA 1.816 62.875 61.300 -0.401 0.000 1.445 367 I CB -0.633 37.272 38.000 -0.159 0.000 1.086 367 I HN 0.801 nan 8.210 nan 0.000 0.433 368 I N -0.911 119.497 120.570 -0.269 0.000 3.874 368 I HA 0.231 4.401 4.170 -0.000 0.000 0.331 368 I C 1.064 177.215 176.117 0.056 0.000 1.489 368 I CA -0.518 60.674 61.300 -0.179 0.000 1.187 368 I CB -0.353 37.324 38.000 -0.539 0.000 1.150 368 I HN -0.019 nan 8.210 nan 0.000 0.412 369 R N 2.173 122.715 120.500 0.070 0.000 2.480 369 R HA 0.171 4.511 4.340 -0.000 0.000 0.303 369 R C -0.321 176.031 176.300 0.086 0.000 0.985 369 R CA 0.459 56.637 56.100 0.129 0.000 1.051 369 R CB 0.448 30.818 30.300 0.118 0.000 0.935 369 R HN 0.514 nan 8.270 nan 0.000 0.410 370 S N 2.818 118.516 115.700 -0.002 0.000 2.549 370 S HA 0.101 4.571 4.470 -0.000 0.000 0.280 370 S C 0.451 174.913 174.600 -0.230 0.000 1.109 370 S CA -0.780 57.273 58.200 -0.246 0.000 0.905 370 S CB 1.991 64.745 63.200 -0.743 0.000 1.081 370 S HN 0.518 nan 8.310 nan 0.000 0.477 371 V N 4.715 124.504 119.914 -0.209 0.000 2.867 371 V HA 0.032 4.152 4.120 -0.000 0.000 0.260 371 V C 1.232 177.322 176.094 -0.006 0.000 1.099 371 V CA 2.313 64.573 62.300 -0.066 0.000 1.122 371 V CB -1.104 30.712 31.823 -0.013 0.000 0.708 371 V HN 0.807 nan 8.190 nan 0.000 0.490 372 F N -2.383 117.599 119.950 0.054 0.000 2.727 372 F HA 0.318 4.844 4.527 -0.000 0.000 0.302 372 F C 1.495 177.308 175.800 0.022 0.000 1.097 372 F CA -0.131 57.863 58.000 -0.010 0.000 1.330 372 F CB -0.534 38.548 39.000 0.136 0.000 1.084 372 F HN 0.070 nan 8.300 nan 0.000 0.578 373 L N 1.504 122.914 121.223 0.311 0.000 2.081 373 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 373 L C 2.812 179.815 176.870 0.220 0.000 1.080 373 L CA 1.525 56.566 54.840 0.335 0.000 0.754 373 L CB -1.155 41.081 42.059 0.296 0.000 0.893 373 L HN 0.491 nan 8.230 nan 0.000 0.433 374 G N -0.351 108.523 108.800 0.124 0.000 2.422 374 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 374 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 374 G C 1.689 176.584 174.900 -0.009 0.000 1.146 374 G CA 0.370 45.500 45.100 0.050 0.000 0.769 374 G HN 0.167 nan 8.290 nan 0.000 0.547 375 K N 0.447 120.790 120.400 -0.095 0.000 2.097 375 K HA 0.068 4.388 4.320 -0.000 0.000 0.205 375 K C 2.412 179.023 176.600 0.019 0.000 1.050 375 K CA 0.495 56.614 56.287 -0.280 0.000 0.938 375 K CB -0.455 31.457 32.500 -0.980 0.000 0.718 375 K HN 0.405 nan 8.250 nan 0.000 0.442 376 I N 1.195 121.883 120.570 0.197 0.000 2.163 376 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 376 I C 2.507 178.698 176.117 0.125 0.000 1.085 376 I CA 1.310 62.680 61.300 0.117 0.000 1.347 376 I CB -0.364 37.659 38.000 0.039 0.000 1.044 376 I HN 0.123 nan 8.210 nan 0.000 0.408 377 K N 1.473 121.963 120.400 0.150 0.000 2.032 377 K HA -0.235 4.084 4.320 -0.000 0.000 0.209 377 K C 1.639 178.316 176.600 0.129 0.000 1.048 377 K CA 2.006 58.393 56.287 0.168 0.000 0.927 377 K CB -0.265 32.301 32.500 0.110 0.000 0.712 377 K HN 0.168 nan 8.250 nan 0.000 0.441 378 D N 0.185 120.617 120.400 0.054 0.000 2.097 378 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 378 D C 1.835 178.142 176.300 0.013 0.000 0.989 378 D CA 1.651 55.663 54.000 0.020 0.000 0.827 378 D CB -0.534 40.244 40.800 -0.036 0.000 0.966 378 D HN 0.379 nan 8.370 nan 0.000 0.456 379 A N 0.308 123.112 122.820 -0.027 0.000 1.873 379 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 379 A C 2.061 179.545 177.584 -0.167 0.000 1.193 379 A CA 1.375 53.336 52.037 -0.127 0.000 0.629 379 A CB -1.115 17.742 19.000 -0.238 0.000 0.826 379 A HN 0.203 nan 8.150 nan 0.000 0.447 380 F N 0.051 120.016 119.950 0.025 0.000 2.407 380 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 380 F C 2.013 177.848 175.800 0.058 0.000 1.097 380 F CA 1.139 59.169 58.000 0.049 0.000 1.422 380 F CB -0.352 38.701 39.000 0.089 0.000 1.067 380 F HN 0.189 nan 8.300 nan 0.000 0.539 381 D N 0.165 120.682 120.400 0.195 0.000 2.097 381 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 381 D C 2.628 178.982 176.300 0.090 0.000 0.984 381 D CA 1.656 55.732 54.000 0.126 0.000 0.826 381 D CB -0.228 40.624 40.800 0.087 0.000 0.973 381 D HN 0.193 nan 8.370 nan 0.000 0.460 382 R N 0.405 120.941 120.500 0.061 0.000 2.148 382 R HA -0.016 4.324 4.340 -0.000 0.000 0.227 382 R C 1.067 177.396 176.300 0.049 0.000 1.103 382 R CA 1.465 57.590 56.100 0.041 0.000 0.983 382 R CB -0.843 29.470 30.300 0.020 0.000 0.874 382 R HN 0.224 nan 8.270 nan 0.000 0.451 383 N N -1.364 117.375 118.700 0.065 0.000 2.827 383 N HA 0.236 4.976 4.740 -0.000 0.000 0.240 383 N C -2.739 172.864 175.510 0.156 0.000 1.352 383 N CA -2.007 51.088 53.050 0.076 0.000 0.760 383 N CB 1.883 40.389 38.487 0.031 0.000 1.426 383 N HN -0.135 nan 8.380 nan 0.000 0.561 384 P HA -0.051 nan 4.420 nan 0.000 0.221 384 P C 0.354 177.830 177.300 0.294 0.000 1.145 384 P CA 1.057 64.324 63.100 0.278 0.000 0.795 384 P CB 0.410 32.218 31.700 0.180 0.000 0.775 385 E N -0.928 119.390 120.200 0.196 0.000 2.437 385 E HA 0.066 4.416 4.350 -0.000 0.000 0.189 385 E C 0.440 177.126 176.600 0.144 0.000 1.054 385 E CA -0.497 55.998 56.400 0.158 0.000 0.874 385 E CB -0.550 29.213 29.700 0.105 0.000 1.011 385 E HN 0.176 nan 8.360 nan 0.000 0.474 386 L N 1.804 123.124 121.223 0.161 0.000 2.700 386 L HA -0.149 4.191 4.340 -0.000 0.000 0.276 386 L C 1.117 178.040 176.870 0.088 0.000 1.200 386 L CA 0.897 55.765 54.840 0.045 0.000 0.951 386 L CB 0.428 42.356 42.059 -0.218 0.000 1.226 386 L HN 0.008 nan 8.230 nan 0.000 0.489 387 Q N 2.869 122.707 119.800 0.063 0.000 2.354 387 Q HA 0.122 4.461 4.340 -0.000 0.000 0.203 387 Q C -0.031 176.024 176.000 0.092 0.000 0.933 387 Q CA 0.573 56.429 55.803 0.089 0.000 0.901 387 Q CB 0.333 29.132 28.738 0.103 0.000 1.007 387 Q HN 0.834 nan 8.270 nan 0.000 0.495 388 N N -1.270 117.460 118.700 0.049 0.000 2.516 388 N HA 0.135 4.875 4.740 -0.000 0.000 0.268 388 N C -0.111 175.347 175.510 -0.087 0.000 1.096 388 N CA -0.232 52.827 53.050 0.015 0.000 0.954 388 N CB 1.021 39.552 38.487 0.074 0.000 1.676 388 N HN -0.121 nan 8.380 nan 0.000 0.490 389 L N 2.117 123.228 121.223 -0.188 0.000 2.129 389 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 389 L C 1.669 178.444 176.870 -0.159 0.000 1.087 389 L CA 1.201 55.825 54.840 -0.360 0.000 0.757 389 L CB -0.315 41.353 42.059 -0.651 0.000 0.896 389 L HN 0.695 nan 8.230 nan 0.000 0.434 390 L N -0.614 120.589 121.223 -0.034 0.000 2.275 390 L HA -0.200 4.140 4.340 -0.000 0.000 0.215 390 L C 2.244 179.201 176.870 0.145 0.000 1.119 390 L CA 0.785 55.692 54.840 0.112 0.000 0.790 390 L CB -0.256 41.923 42.059 0.199 0.000 0.919 390 L HN 0.314 nan 8.230 nan 0.000 0.443 391 L N -1.038 120.248 121.223 0.105 0.000 2.418 391 L HA -0.011 4.328 4.340 -0.000 0.000 0.218 391 L C 0.682 177.591 176.870 0.065 0.000 1.125 391 L CA -0.063 54.831 54.840 0.091 0.000 0.835 391 L CB -0.394 41.712 42.059 0.079 0.000 0.953 391 L HN 0.175 nan 8.230 nan 0.000 0.454 392 D N -0.236 120.207 120.400 0.071 0.000 2.382 392 D HA -0.043 4.597 4.640 -0.000 0.000 0.245 392 D C 0.809 177.185 176.300 0.127 0.000 1.120 392 D CA -0.109 53.949 54.000 0.097 0.000 0.890 392 D CB 1.070 41.962 40.800 0.152 0.000 1.201 392 D HN -0.071 nan 8.370 nan 0.000 0.433 393 D N 2.076 122.525 120.400 0.081 0.000 2.104 393 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 393 D C 1.491 177.803 176.300 0.021 0.000 0.994 393 D CA 0.861 54.891 54.000 0.050 0.000 0.830 393 D CB -0.308 40.515 40.800 0.038 0.000 0.959 393 D HN 0.511 nan 8.370 nan 0.000 0.452 394 F N 0.237 120.096 119.950 -0.151 0.000 2.091 394 F HA -0.246 4.280 4.527 -0.000 0.000 0.299 394 F C 1.909 177.464 175.800 -0.408 0.000 1.103 394 F CA 1.508 59.312 58.000 -0.327 0.000 1.228 394 F CB -0.329 38.352 39.000 -0.531 0.000 0.984 394 F HN -0.103 nan 8.300 nan 0.000 0.477 395 F N 0.404 120.324 119.950 -0.049 0.000 2.234 395 F HA 0.003 4.530 4.527 -0.000 0.000 0.296 395 F C 2.452 178.143 175.800 -0.182 0.000 1.089 395 F CA 1.243 59.121 58.000 -0.203 0.000 1.343 395 F CB -0.936 37.978 39.000 -0.142 0.000 1.040 395 F HN -0.141 nan 8.300 nan 0.000 0.498 396 K N 0.532 120.979 120.400 0.079 0.000 2.032 396 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 396 K C 2.148 178.735 176.600 -0.022 0.000 1.048 396 K CA 1.969 58.295 56.287 0.064 0.000 0.927 396 K CB -0.301 32.243 32.500 0.073 0.000 0.712 396 K HN 0.182 nan 8.250 nan 0.000 0.441 397 S N 0.692 116.333 115.700 -0.098 0.000 2.368 397 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 397 S C 2.090 176.583 174.600 -0.178 0.000 1.029 397 S CA 1.112 59.236 58.200 -0.127 0.000 0.988 397 S CB -0.312 62.795 63.200 -0.155 0.000 0.838 397 S HN 0.528 nan 8.310 nan 0.000 0.462 398 A N 1.415 124.049 122.820 -0.310 0.000 1.865 398 A HA -0.090 4.229 4.320 -0.000 0.000 0.217 398 A C 2.363 179.808 177.584 -0.231 0.000 1.191 398 A CA 1.847 53.704 52.037 -0.301 0.000 0.623 398 A CB -1.056 17.628 19.000 -0.528 0.000 0.826 398 A HN 0.349 nan 8.150 nan 0.000 0.444 399 V N -0.042 119.733 119.914 -0.232 0.000 2.427 399 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 399 V C 2.566 178.587 176.094 -0.121 0.000 1.051 399 V CA 2.264 64.434 62.300 -0.217 0.000 1.048 399 V CB -0.729 30.977 31.823 -0.195 0.000 0.666 399 V HN 0.672 nan 8.190 nan 0.000 0.456 400 E N 1.141 121.304 120.200 -0.062 0.000 2.077 400 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 400 E C 1.988 178.578 176.600 -0.015 0.000 0.989 400 E CA 1.652 58.048 56.400 -0.007 0.000 0.800 400 E CB -0.440 29.268 29.700 0.013 0.000 0.746 400 E HN 0.649 nan 8.360 nan 0.000 0.452 401 N N -1.082 117.592 118.700 -0.042 0.000 2.396 401 N HA -0.087 4.652 4.740 -0.000 0.000 0.180 401 N C 1.032 176.526 175.510 -0.027 0.000 1.028 401 N CA 0.959 53.990 53.050 -0.032 0.000 0.893 401 N CB 0.044 38.505 38.487 -0.043 0.000 0.967 401 N HN 0.267 nan 8.380 nan 0.000 0.440 402 C N 0.171 119.445 119.300 -0.042 0.000 2.780 402 C HA 0.104 4.564 4.460 -0.000 0.000 0.267 402 C C 2.600 177.617 174.990 0.045 0.000 1.266 402 C CA -0.397 58.592 59.018 -0.048 0.000 1.709 402 C CB -0.547 27.102 27.740 -0.151 0.000 1.975 402 C HN 0.469 nan 8.230 nan 0.000 0.582 403 Q N 2.000 121.851 119.800 0.085 0.000 2.077 403 Q HA -0.229 4.110 4.340 -0.000 0.000 0.206 403 Q C 2.085 178.175 176.000 0.151 0.000 0.989 403 Q CA 2.673 58.585 55.803 0.181 0.000 0.853 403 Q CB -0.215 28.578 28.738 0.092 0.000 0.907 403 Q HN 0.781 nan 8.270 nan 0.000 0.418 404 D N -0.697 119.753 120.400 0.083 0.000 2.117 404 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 404 D C 1.918 178.257 176.300 0.066 0.000 0.987 404 D CA 1.447 55.485 54.000 0.063 0.000 0.829 404 D CB -0.690 40.135 40.800 0.042 0.000 0.961 404 D HN 0.362 nan 8.370 nan 0.000 0.460 405 S N -0.932 114.796 115.700 0.046 0.000 2.368 405 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 405 S C 1.798 176.416 174.600 0.030 0.000 1.030 405 S CA 1.018 59.217 58.200 -0.002 0.000 0.999 405 S CB -0.423 62.738 63.200 -0.066 0.000 0.844 405 S HN 0.723 nan 8.310 nan 0.000 0.459 406 W N 3.076 124.288 121.300 -0.146 0.000 2.317 406 W HA -0.114 4.545 4.660 -0.000 0.000 0.318 406 W C 2.257 178.696 176.519 -0.134 0.000 1.227 406 W CA 1.269 58.514 57.345 -0.167 0.000 1.269 406 W CB -0.791 28.597 29.460 -0.120 0.000 1.155 406 W HN 0.248 nan 8.180 nan 0.000 0.484 407 R N -0.639 119.924 120.500 0.105 0.000 2.115 407 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 407 R C 2.406 178.727 176.300 0.036 0.000 1.111 407 R CA 1.356 57.448 56.100 -0.013 0.000 0.976 407 R CB -0.583 29.706 30.300 -0.019 0.000 0.870 407 R HN 0.127 nan 8.270 nan 0.000 0.445 408 R N 0.618 121.159 120.500 0.068 0.000 2.073 408 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 408 R C 2.247 178.656 176.300 0.182 0.000 1.134 408 R CA 1.512 57.688 56.100 0.127 0.000 0.952 408 R CB -0.207 30.172 30.300 0.132 0.000 0.850 408 R HN 0.219 nan 8.270 nan 0.000 0.433 409 A N -0.037 122.795 122.820 0.019 0.000 1.877 409 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 409 A C 2.239 179.849 177.584 0.044 0.000 1.186 409 A CA 1.509 53.499 52.037 -0.078 0.000 0.620 409 A CB -0.542 18.226 19.000 -0.386 0.000 0.822 409 A HN 0.207 nan 8.150 nan 0.000 0.443 410 V N -0.485 119.425 119.914 -0.008 0.000 2.307 410 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 410 V C 2.803 178.929 176.094 0.053 0.000 1.045 410 V CA 2.266 64.574 62.300 0.014 0.000 1.024 410 V CB -0.760 31.058 31.823 -0.009 0.000 0.651 410 V HN 0.552 nan 8.190 nan 0.000 0.449 411 S N -0.392 115.345 115.700 0.061 0.000 2.370 411 S HA -0.219 4.250 4.470 -0.000 0.000 0.226 411 S C 2.096 176.743 174.600 0.079 0.000 1.033 411 S CA 2.132 60.370 58.200 0.063 0.000 1.011 411 S CB -0.363 62.878 63.200 0.069 0.000 0.852 411 S HN 0.698 nan 8.310 nan 0.000 0.457 412 T N 1.068 115.718 114.554 0.161 0.000 2.777 412 T HA -0.013 4.336 4.350 -0.000 0.000 0.266 412 T C 2.016 176.722 174.700 0.010 0.000 1.040 412 T CA 1.197 63.389 62.100 0.153 0.000 1.141 412 T CB -0.784 68.260 68.868 0.294 0.000 0.868 412 T HN 0.528 nan 8.240 nan 0.000 0.444 413 G N 1.098 109.947 108.800 0.082 0.000 2.440 413 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 413 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 413 G C 1.703 176.554 174.900 -0.081 0.000 1.154 413 G CA 0.879 45.983 45.100 0.008 0.000 0.767 413 G HN 0.420 nan 8.290 nan 0.000 0.552 414 V N 0.338 120.229 119.914 -0.039 0.000 2.343 414 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 414 V C 3.042 179.063 176.094 -0.121 0.000 1.051 414 V CA 1.928 64.199 62.300 -0.048 0.000 1.036 414 V CB -0.296 31.522 31.823 -0.007 0.000 0.654 414 V HN 0.284 nan 8.190 nan 0.000 0.451 415 Q N -0.136 119.565 119.800 -0.165 0.000 2.124 415 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 415 Q C 2.313 177.955 176.000 -0.596 0.000 0.977 415 Q CA 1.887 57.548 55.803 -0.235 0.000 0.850 415 Q CB -0.743 27.938 28.738 -0.095 0.000 0.901 415 Q HN 0.656 nan 8.270 nan 0.000 0.429 416 A N -0.575 121.689 122.820 -0.926 0.000 2.119 416 A HA 0.265 4.584 4.320 -0.000 0.000 0.216 416 A C 1.481 178.803 177.584 -0.436 0.000 1.152 416 A CA 1.232 52.589 52.037 -1.133 0.000 0.708 416 A CB -0.262 18.187 19.000 -0.918 0.000 0.805 416 A HN 0.439 nan 8.150 nan 0.000 0.460 417 G N -1.038 107.600 108.800 -0.270 0.000 2.132 417 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.228 417 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.228 417 G C -0.133 174.713 174.900 -0.090 0.000 1.000 417 G CA 0.070 45.093 45.100 -0.129 0.000 0.693 417 G HN 0.325 nan 8.290 nan 0.000 0.515 418 I N 1.141 121.643 120.570 -0.112 0.000 2.352 418 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 418 I C -1.921 174.233 176.117 0.062 0.000 1.036 418 I CA -3.259 57.996 61.300 -0.074 0.000 1.336 418 I CB 0.546 38.457 38.000 -0.148 0.000 1.407 418 I HN -0.140 nan 8.210 nan 0.000 0.497 419 P HA 0.227 nan 4.420 nan 0.000 0.266 419 P C -0.340 177.081 177.300 0.203 0.000 1.215 419 P CA 0.178 63.372 63.100 0.157 0.000 0.763 419 P CB 0.293 32.091 31.700 0.164 0.000 0.806 420 M N 5.443 125.158 119.600 0.193 0.000 2.952 420 M HA 0.221 4.701 4.480 -0.000 0.000 0.259 420 M C -1.885 174.543 176.300 0.213 0.000 1.306 420 M CA -1.561 53.894 55.300 0.258 0.000 0.626 420 M CB 1.721 34.536 32.600 0.359 0.000 1.423 420 M HN 0.127 nan 8.290 nan 0.000 0.459 421 P HA -0.107 nan 4.420 nan 0.000 0.216 421 P C 1.122 178.502 177.300 0.135 0.000 1.153 421 P CA 1.604 64.784 63.100 0.134 0.000 0.858 421 P CB 0.201 31.970 31.700 0.115 0.000 0.789 422 C N -2.939 116.419 119.300 0.098 0.000 2.505 422 C HA 0.072 4.532 4.460 -0.000 0.000 0.279 422 C C 2.485 177.568 174.990 0.155 0.000 1.316 422 C CA 0.071 59.127 59.018 0.063 0.000 1.720 422 C CB -1.928 25.785 27.740 -0.044 0.000 2.050 422 C HN 0.093 nan 8.230 nan 0.000 0.493 423 F N 2.345 122.414 119.950 0.199 0.000 2.095 423 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 423 F C 2.807 178.772 175.800 0.274 0.000 1.104 423 F CA 2.198 60.370 58.000 0.287 0.000 1.232 423 F CB -1.322 37.836 39.000 0.263 0.000 0.987 423 F HN 0.309 nan 8.300 nan 0.000 0.475 424 T N -4.489 110.289 114.554 0.374 0.000 2.857 424 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 424 T C 2.065 176.876 174.700 0.184 0.000 1.048 424 T CA 1.611 63.839 62.100 0.213 0.000 1.139 424 T CB -1.021 67.939 68.868 0.153 0.000 0.874 424 T HN 0.256 nan 8.240 nan 0.000 0.455 425 T N 1.171 115.844 114.554 0.200 0.000 2.821 425 T HA 0.107 4.457 4.350 -0.000 0.000 0.267 425 T C 2.222 177.071 174.700 0.248 0.000 1.046 425 T CA 1.437 63.649 62.100 0.186 0.000 1.139 425 T CB -0.868 68.089 68.868 0.148 0.000 0.871 425 T HN 0.550 nan 8.240 nan 0.000 0.454 426 A N 1.067 124.072 122.820 0.308 0.000 1.898 426 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 426 A C 2.217 180.088 177.584 0.479 0.000 1.181 426 A CA 1.498 53.798 52.037 0.439 0.000 0.620 426 A CB -0.862 18.468 19.000 0.550 0.000 0.819 426 A HN 0.512 nan 8.150 nan 0.000 0.442 427 L N -0.171 121.184 121.223 0.220 0.000 2.056 427 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 427 L C 2.534 179.376 176.870 -0.046 0.000 1.078 427 L CA 2.414 57.060 54.840 -0.324 0.000 0.749 427 L CB -0.853 40.843 42.059 -0.605 0.000 0.901 427 L HN 0.289 nan 8.230 nan 0.000 0.433 428 S N -0.763 114.972 115.700 0.059 0.000 2.370 428 S HA -0.233 4.237 4.470 -0.000 0.000 0.226 428 S C 1.825 176.506 174.600 0.135 0.000 1.033 428 S CA 1.732 59.977 58.200 0.076 0.000 1.011 428 S CB -0.637 62.618 63.200 0.092 0.000 0.852 428 S HN 0.566 nan 8.310 nan 0.000 0.457 429 F N 1.089 121.100 119.950 0.101 0.000 2.102 429 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 429 F C 2.096 178.001 175.800 0.176 0.000 1.105 429 F CA 1.463 59.542 58.000 0.131 0.000 1.239 429 F CB -0.686 38.398 39.000 0.140 0.000 0.991 429 F HN 0.244 nan 8.300 nan 0.000 0.474 430 Y N 1.473 121.869 120.300 0.159 0.000 2.114 430 Y HA -0.287 4.262 4.550 -0.000 0.000 0.282 430 Y C 2.254 178.153 175.900 -0.001 0.000 1.165 430 Y CA 2.321 60.472 58.100 0.085 0.000 1.148 430 Y CB -0.843 37.711 38.460 0.156 0.000 0.972 430 Y HN 0.094 nan 8.280 nan 0.000 0.504 431 D N -0.534 119.846 120.400 -0.034 0.000 2.178 431 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 431 D C 2.308 178.578 176.300 -0.050 0.000 0.974 431 D CA 1.387 55.354 54.000 -0.055 0.000 0.841 431 D CB -0.751 40.052 40.800 0.005 0.000 0.953 431 D HN 0.552 nan 8.370 nan 0.000 0.478 432 G N -0.337 108.393 108.800 -0.117 0.000 2.404 432 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.214 432 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.214 432 G C 1.591 176.406 174.900 -0.143 0.000 1.189 432 G CA 0.325 45.344 45.100 -0.135 0.000 0.789 432 G HN 0.252 nan 8.290 nan 0.000 0.533 433 Y N 2.371 122.409 120.300 -0.437 0.000 2.256 433 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 433 Y C 2.867 178.592 175.900 -0.291 0.000 1.155 433 Y CA 2.003 59.841 58.100 -0.436 0.000 1.203 433 Y CB 0.003 38.043 38.460 -0.700 0.000 0.980 433 Y HN 0.303 nan 8.280 nan 0.000 0.530 434 R N -1.191 119.122 120.500 -0.312 0.000 2.299 434 R HA -0.003 4.337 4.340 -0.000 0.000 0.197 434 R C -0.395 175.741 176.300 -0.273 0.000 0.971 434 R CA 0.331 56.221 56.100 -0.350 0.000 1.030 434 R CB -0.702 29.308 30.300 -0.483 0.000 0.932 434 R HN 0.275 nan 8.270 nan 0.000 0.477 435 H N 1.656 120.574 119.070 -0.254 0.000 2.742 435 H HA 0.027 4.583 4.556 -0.000 0.000 0.302 435 H C 0.850 176.075 175.328 -0.172 0.000 1.069 435 H CA 0.052 55.993 56.048 -0.179 0.000 1.446 435 H CB 1.768 31.446 29.762 -0.140 0.000 1.462 435 H HN 0.367 nan 8.280 nan 0.000 0.499 436 E N 3.501 123.646 120.200 -0.092 0.000 2.152 436 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 436 E C -0.181 176.404 176.600 -0.024 0.000 0.983 436 E CA 0.891 57.244 56.400 -0.079 0.000 0.818 436 E CB 0.324 29.969 29.700 -0.091 0.000 0.758 436 E HN 0.313 nan 8.360 nan 0.000 0.467 437 M N 1.509 121.126 119.600 0.028 0.000 2.227 437 M HA 0.436 4.915 4.480 -0.000 0.000 0.335 437 M C -0.807 175.524 176.300 0.052 0.000 1.053 437 M CA -0.674 54.648 55.300 0.036 0.000 0.973 437 M CB 1.597 34.216 32.600 0.032 0.000 1.623 437 M HN 0.101 nan 8.290 nan 0.000 0.434 438 L N 4.617 125.839 121.223 -0.003 0.000 2.323 438 L HA 0.556 4.896 4.340 -0.000 0.000 0.265 438 L C -1.271 175.576 176.870 -0.039 0.000 1.012 438 L CA -1.471 53.340 54.840 -0.048 0.000 0.820 438 L CB 2.376 44.402 42.059 -0.054 0.000 1.334 438 L HN 0.482 nan 8.230 nan 0.000 0.427 439 P HA -0.010 nan 4.420 nan 0.000 0.247 439 P C 0.854 178.135 177.300 -0.032 0.000 1.225 439 P CA 0.260 63.334 63.100 -0.043 0.000 0.768 439 P CB 0.311 31.979 31.700 -0.053 0.000 1.020 440 A N 1.476 124.282 122.820 -0.024 0.000 2.024 440 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 440 A C 2.426 180.005 177.584 -0.007 0.000 1.164 440 A CA 2.017 54.049 52.037 -0.010 0.000 0.643 440 A CB -1.270 17.732 19.000 0.003 0.000 0.806 440 A HN 0.432 nan 8.150 nan 0.000 0.451 441 S N -0.317 115.377 115.700 -0.009 0.000 2.400 441 S HA -0.176 4.294 4.470 -0.000 0.000 0.232 441 S C 1.785 176.360 174.600 -0.042 0.000 1.025 441 S CA 1.449 59.642 58.200 -0.011 0.000 0.993 441 S CB -0.570 62.626 63.200 -0.007 0.000 0.808 441 S HN 0.453 nan 8.310 nan 0.000 0.478 442 L N 1.604 122.796 121.223 -0.051 0.000 2.093 442 L HA 0.190 4.530 4.340 -0.000 0.000 0.208 442 L C 2.196 179.012 176.870 -0.091 0.000 1.085 442 L CA 1.270 56.061 54.840 -0.083 0.000 0.755 442 L CB -0.791 41.226 42.059 -0.070 0.000 0.904 442 L HN 0.363 nan 8.230 nan 0.000 0.435 443 I N -0.879 119.661 120.570 -0.050 0.000 2.208 443 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 443 I C 2.468 178.557 176.117 -0.048 0.000 1.097 443 I CA 0.949 62.230 61.300 -0.031 0.000 1.363 443 I CB -0.281 37.716 38.000 -0.005 0.000 1.051 443 I HN 0.365 nan 8.210 nan 0.000 0.413 444 Q N 0.428 120.211 119.800 -0.028 0.000 2.096 444 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 444 Q C 2.391 178.358 176.000 -0.055 0.000 0.982 444 Q CA 1.946 57.755 55.803 0.010 0.000 0.850 444 Q CB -0.544 28.244 28.738 0.083 0.000 0.901 444 Q HN 0.580 nan 8.270 nan 0.000 0.422 445 A N 0.839 123.560 122.820 -0.164 0.000 1.877 445 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 445 A C 2.123 179.402 177.584 -0.509 0.000 1.186 445 A CA 1.611 53.423 52.037 -0.374 0.000 0.620 445 A CB -0.540 18.205 19.000 -0.425 0.000 0.822 445 A HN 0.411 nan 8.150 nan 0.000 0.443 446 Q N -0.717 118.878 119.800 -0.343 0.000 2.050 446 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 446 Q C 2.384 178.093 176.000 -0.485 0.000 0.980 446 Q CA 1.633 57.284 55.803 -0.254 0.000 0.840 446 Q CB -0.203 28.534 28.738 -0.002 0.000 0.898 446 Q HN 0.599 nan 8.270 nan 0.000 0.424 447 R N 0.410 120.623 120.500 -0.479 0.000 2.091 447 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 447 R C 1.896 177.928 176.300 -0.446 0.000 1.136 447 R CA 1.649 57.333 56.100 -0.694 0.000 0.959 447 R CB -0.222 29.933 30.300 -0.242 0.000 0.856 447 R HN 0.262 nan 8.270 nan 0.000 0.437 448 D N -0.495 119.825 120.400 -0.133 0.000 2.178 448 D HA -0.179 4.461 4.640 -0.000 0.000 0.202 448 D C 1.645 178.012 176.300 0.112 0.000 0.974 448 D CA 0.823 54.913 54.000 0.151 0.000 0.841 448 D CB -0.006 41.115 40.800 0.535 0.000 0.953 448 D HN 0.175 nan 8.370 nan 0.000 0.478 449 Y N 0.161 120.245 120.300 -0.361 0.000 2.163 449 Y HA -0.145 4.405 4.550 -0.000 0.000 0.288 449 Y C 1.779 177.665 175.900 -0.024 0.000 1.136 449 Y CA 2.033 59.945 58.100 -0.314 0.000 1.147 449 Y CB -0.597 37.493 38.460 -0.616 0.000 0.987 449 Y HN 0.126 nan 8.280 nan 0.000 0.509 450 F N -2.137 117.985 119.950 0.287 0.000 2.530 450 F HA 0.427 4.954 4.527 -0.000 0.000 0.292 450 F C 1.909 177.764 175.800 0.093 0.000 1.109 450 F CA 0.818 58.945 58.000 0.211 0.000 1.450 450 F CB -0.781 38.329 39.000 0.182 0.000 1.114 450 F HN -0.103 nan 8.300 nan 0.000 0.560 451 G N -0.845 107.860 108.800 -0.159 0.000 3.274 451 G HA2 0.406 4.366 3.960 -0.000 0.000 0.250 451 G HA3 0.406 4.366 3.960 -0.000 0.000 0.250 451 G C 0.883 175.450 174.900 -0.554 0.000 1.024 451 G CA -0.025 44.939 45.100 -0.226 0.000 0.840 451 G HN 0.818 nan 8.290 nan 0.000 0.522 452 A N 0.644 123.269 122.820 -0.326 0.000 2.745 452 A HA -0.229 4.091 4.320 -0.000 0.000 0.296 452 A C 1.218 178.594 177.584 -0.346 0.000 1.500 452 A CA 1.084 52.888 52.037 -0.389 0.000 0.766 452 A CB -2.451 16.157 19.000 -0.652 0.000 1.030 452 A HN 0.567 nan 8.150 nan 0.000 0.489 453 H N 0.197 119.214 119.070 -0.089 0.000 2.555 453 H HA 0.105 4.661 4.556 -0.000 0.000 0.269 453 H C 1.419 176.748 175.328 0.000 0.000 0.988 453 H CA 2.160 58.152 56.048 -0.094 0.000 1.178 453 H CB -0.144 29.534 29.762 -0.140 0.000 1.373 453 H HN 1.660 nan 8.280 nan 0.000 0.588 454 T N -1.069 113.628 114.554 0.238 0.000 0.541 454 T HA -0.204 4.145 4.350 -0.000 0.000 0.774 454 T C -0.609 174.375 174.700 0.474 0.000 0.992 454 T CA 0.532 62.824 62.100 0.320 0.000 4.077 454 T CB -1.365 67.622 68.868 0.198 0.000 2.303 454 T HN 0.590 nan 8.240 nan 0.000 0.398 455 Y N -0.675 119.858 120.300 0.390 0.000 2.689 455 Y HA 0.861 5.411 4.550 -0.000 0.000 0.333 455 Y C -0.537 175.406 175.900 0.070 0.000 1.190 455 Y CA -1.321 56.962 58.100 0.305 0.000 1.063 455 Y CB 1.063 39.651 38.460 0.215 0.000 1.294 455 Y HN 0.971 nan 8.280 nan 0.000 0.466 456 E N 1.659 121.869 120.200 0.016 0.000 2.221 456 E HA 0.566 4.916 4.350 -0.000 0.000 0.268 456 E C -1.335 175.307 176.600 0.070 0.000 0.933 456 E CA -1.040 55.207 56.400 -0.256 0.000 0.809 456 E CB 2.612 32.024 29.700 -0.480 0.000 1.190 456 E HN 0.518 nan 8.360 nan 0.000 0.406 457 L N 2.612 123.831 121.223 -0.008 0.000 2.375 457 L HA 0.182 4.522 4.340 -0.000 0.000 0.271 457 L C 1.497 178.366 176.870 -0.002 0.000 1.107 457 L CA -0.378 54.494 54.840 0.054 0.000 0.806 457 L CB 0.521 42.596 42.059 0.027 0.000 1.146 457 L HN 0.584 nan 8.230 nan 0.000 0.447 458 L N 2.282 123.514 121.223 0.015 0.000 2.021 458 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 458 L C 2.442 179.302 176.870 -0.018 0.000 1.074 458 L CA 1.903 56.740 54.840 -0.004 0.000 0.760 458 L CB -0.420 41.640 42.059 0.002 0.000 0.889 458 L HN 0.894 nan 8.230 nan 0.000 0.433 459 A N -1.148 121.664 122.820 -0.014 0.000 2.209 459 A HA -0.101 4.219 4.320 -0.000 0.000 0.212 459 A C 1.360 178.925 177.584 -0.031 0.000 1.158 459 A CA 0.900 52.925 52.037 -0.020 0.000 0.742 459 A CB -0.102 18.889 19.000 -0.014 0.000 0.790 459 A HN 0.314 nan 8.150 nan 0.000 0.472 460 K N 0.110 120.483 120.400 -0.046 0.000 3.262 460 K HA 0.254 4.574 4.320 -0.000 0.000 0.166 460 K C -3.131 173.408 176.600 -0.102 0.000 1.091 460 K CA -1.612 54.637 56.287 -0.063 0.000 0.798 460 K CB 1.192 33.654 32.500 -0.064 0.000 0.953 460 K HN 0.040 nan 8.250 nan 0.000 0.588 461 P HA 0.069 nan 4.420 nan 0.000 0.267 461 P C 0.728 177.942 177.300 -0.144 0.000 1.200 461 P CA 0.926 63.947 63.100 -0.131 0.000 0.772 461 P CB 0.949 32.608 31.700 -0.069 0.000 0.855 462 G N 1.169 109.828 108.800 -0.235 0.000 2.254 462 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.225 462 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.225 462 G C -0.076 174.755 174.900 -0.116 0.000 1.003 462 G CA -0.369 44.666 45.100 -0.107 0.000 0.622 462 G HN 0.585 nan 8.290 nan 0.000 0.507 463 Q N 0.254 119.914 119.800 -0.235 0.000 2.340 463 Q HA 0.630 4.970 4.340 -0.000 0.000 0.259 463 Q C -0.913 174.912 176.000 -0.292 0.000 0.964 463 Q CA -0.517 55.202 55.803 -0.141 0.000 0.900 463 Q CB 0.961 29.639 28.738 -0.100 0.000 1.228 463 Q HN 0.278 nan 8.270 nan 0.000 0.449 464 F N 2.627 122.539 119.950 -0.064 0.000 2.385 464 F HA 0.477 5.004 4.527 -0.000 0.000 0.336 464 F C 0.302 175.998 175.800 -0.172 0.000 1.100 464 F CA -0.513 57.423 58.000 -0.108 0.000 1.116 464 F CB 0.876 39.849 39.000 -0.045 0.000 1.166 464 F HN 0.312 nan 8.300 nan 0.000 0.511 465 I N 1.986 122.434 120.570 -0.204 0.000 2.646 465 I HA 0.318 4.488 4.170 -0.000 0.000 0.299 465 I C -1.089 174.899 176.117 -0.215 0.000 1.036 465 I CA -0.929 60.178 61.300 -0.322 0.000 1.074 465 I CB 2.274 39.893 38.000 -0.635 0.000 1.258 465 I HN 0.535 nan 8.210 nan 0.000 0.430 466 H N 2.907 121.913 119.070 -0.108 0.000 2.489 466 H HA 0.548 5.104 4.556 -0.000 0.000 0.343 466 H C -1.235 174.124 175.328 0.051 0.000 1.086 466 H CA -0.190 55.886 56.048 0.048 0.000 1.198 466 H CB 1.734 31.529 29.762 0.056 0.000 1.490 466 H HN 0.519 nan 8.280 nan 0.000 0.504 467 T N 4.225 118.490 114.554 -0.482 0.000 2.855 467 T HA 0.112 4.462 4.350 -0.000 0.000 0.281 467 T C 0.179 174.403 174.700 -0.793 0.000 1.007 467 T CA -0.852 60.876 62.100 -0.620 0.000 1.009 467 T CB 0.567 68.968 68.868 -0.779 0.000 0.983 467 T HN 0.619 nan 8.240 nan 0.000 0.455 468 N N 2.019 120.397 118.700 -0.536 0.000 3.050 468 N HA 0.076 4.816 4.740 -0.000 0.000 0.289 468 N C 0.552 175.932 175.510 -0.215 0.000 1.209 468 N CA -0.520 52.357 53.050 -0.289 0.000 1.154 468 N CB -0.270 38.101 38.487 -0.193 0.000 1.444 468 N HN 0.637 nan 8.380 nan 0.000 0.529 469 W N 0.225 121.395 121.300 -0.217 0.000 2.318 469 W HA -0.212 4.448 4.660 -0.000 0.000 0.313 469 W C 2.528 178.950 176.519 -0.162 0.000 1.221 469 W CA 1.856 59.099 57.345 -0.170 0.000 1.266 469 W CB -0.798 28.540 29.460 -0.202 0.000 1.150 469 W HN 0.442 nan 8.180 nan 0.000 0.496 470 T N -3.210 111.323 114.554 -0.035 0.000 3.023 470 T HA 0.237 4.587 4.350 -0.000 0.000 0.266 470 T C 1.849 176.533 174.700 -0.026 0.000 1.093 470 T CA 1.187 63.304 62.100 0.029 0.000 1.129 470 T CB -0.390 68.506 68.868 0.048 0.000 0.899 470 T HN 0.516 nan 8.240 nan 0.000 0.491 471 G N 0.725 109.441 108.800 -0.140 0.000 2.176 471 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.253 471 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.253 471 G C 0.434 175.033 174.900 -0.502 0.000 0.979 471 G CA 0.532 45.437 45.100 -0.324 0.000 0.641 471 G HN 0.717 nan 8.290 nan 0.000 0.530 472 H N -0.268 118.802 119.070 -0.001 0.000 3.233 472 H HA 0.463 5.019 4.556 -0.000 0.000 0.263 472 H C 1.719 177.054 175.328 0.012 0.000 1.168 472 H CA 0.119 56.171 56.048 0.007 0.000 1.159 472 H CB 0.708 30.479 29.762 0.014 0.000 1.593 472 H HN 0.538 nan 8.280 nan 0.000 0.580 473 G N 0.042 108.893 108.800 0.085 0.000 2.621 473 G HA2 0.405 4.365 3.960 -0.000 0.000 0.271 473 G HA3 0.405 4.365 3.960 -0.000 0.000 0.271 473 G C 0.639 175.584 174.900 0.076 0.000 1.236 473 G CA -0.023 45.128 45.100 0.086 0.000 0.958 473 G HN 0.299 nan 8.290 nan 0.000 0.512 474 G N -2.045 106.805 108.800 0.083 0.000 2.525 474 G HA2 0.416 4.376 3.960 -0.000 0.000 0.287 474 G HA3 0.416 4.376 3.960 -0.000 0.000 0.287 474 G C 1.080 176.039 174.900 0.098 0.000 1.350 474 G CA 0.686 45.827 45.100 0.067 0.000 1.039 474 G HN 0.909 nan 8.290 nan 0.000 0.513 475 T N -3.304 111.292 114.554 0.071 0.000 3.023 475 T HA 0.094 4.444 4.350 -0.000 0.000 0.249 475 T C 0.897 175.641 174.700 0.074 0.000 1.050 475 T CA 0.113 62.267 62.100 0.089 0.000 1.088 475 T CB -0.118 68.778 68.868 0.046 0.000 0.946 475 T HN 0.229 nan 8.240 nan 0.000 0.480 476 V N 4.343 124.272 119.914 0.024 0.000 2.450 476 V HA 0.404 4.524 4.120 -0.000 0.000 0.281 476 V C 0.819 176.861 176.094 -0.086 0.000 1.019 476 V CA -0.391 61.899 62.300 -0.016 0.000 1.062 476 V CB -0.290 31.523 31.823 -0.015 0.000 0.979 476 V HN 0.725 nan 8.190 nan 0.000 0.477 477 S N 3.460 119.084 115.700 -0.126 0.000 2.748 477 S HA 0.660 5.129 4.470 -0.000 0.000 0.299 477 S C 0.146 174.639 174.600 -0.177 0.000 1.119 477 S CA -0.443 57.593 58.200 -0.274 0.000 0.997 477 S CB 1.644 64.628 63.200 -0.360 0.000 1.223 477 S HN 0.682 nan 8.310 nan 0.000 0.541 478 S N 0.103 115.669 115.700 -0.222 0.000 2.655 478 S HA 0.564 5.034 4.470 -0.000 0.000 0.265 478 S C 0.153 174.721 174.600 -0.053 0.000 1.240 478 S CA -0.569 57.552 58.200 -0.132 0.000 0.986 478 S CB 0.054 63.115 63.200 -0.232 0.000 0.985 478 S HN 0.936 nan 8.310 nan 0.000 0.562 479 S N 1.519 117.251 115.700 0.053 0.000 2.632 479 S HA 0.442 4.912 4.470 -0.000 0.000 0.271 479 S C -0.148 174.467 174.600 0.024 0.000 1.260 479 S CA -0.750 57.505 58.200 0.091 0.000 1.010 479 S CB 1.291 64.608 63.200 0.196 0.000 0.965 479 S HN 0.579 nan 8.310 nan 0.000 0.534 480 S N 1.743 117.399 115.700 -0.074 0.000 2.410 480 S HA 0.626 5.095 4.470 -0.000 0.000 0.304 480 S C -1.200 173.305 174.600 -0.157 0.000 1.095 480 S CA -0.715 57.308 58.200 -0.295 0.000 1.089 480 S CB -0.773 61.972 63.200 -0.759 0.000 0.968 480 S HN 0.699 nan 8.310 nan 0.000 0.480 481 Y N 2.139 122.334 120.300 -0.175 0.000 2.624 481 Y HA 0.632 5.182 4.550 -0.000 0.000 0.334 481 Y C -1.014 174.840 175.900 -0.076 0.000 1.155 481 Y CA -1.401 56.627 58.100 -0.119 0.000 1.046 481 Y CB 0.607 39.023 38.460 -0.072 0.000 1.316 481 Y HN 0.359 nan 8.280 nan 0.000 0.457 482 N N 0.993 119.763 118.700 0.116 0.000 2.404 482 N HA 0.882 5.621 4.740 -0.000 0.000 0.297 482 N C -1.079 174.524 175.510 0.155 0.000 1.163 482 N CA -0.293 52.791 53.050 0.055 0.000 0.864 482 N CB 2.151 40.658 38.487 0.033 0.000 1.247 482 N HN 1.085 nan 8.380 nan 0.000 0.510 483 A N 0.000 122.878 122.820 0.097 0.000 2.254 483 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 483 A CA 0.000 52.099 52.037 0.102 0.000 0.836 483 A CB 0.000 19.103 19.000 0.172 0.000 0.831 483 A HN 0.000 nan 8.150 nan 0.000 0.486