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 2iag_1_A DATA FIRST_RESID 23 DATA SEQUENCE RTRRPGEPPL DLGSIPWLGY ALDFGKDAAS FLTRMKEKHG DIFTILVGGR DATA SEQUENCE YVTVLLDPHS YDAVVWEPRT RLDFHAYAIF LMERIFDVQL PHYSPSDEKA DATA SEQUENCE RMKLTLLHRE LQALTEAMYT NLHAVLLGDA TEAGSGWHEM GLLDFSYSFL DATA SEQUENCE LRAGYLTLYG IEALPRTHES QAQDRVHSAD VFHTFRQLDR LLPKLARGSL DATA SEQUENCE SVGDKDHMCS VKSRLWKLLS PARLARRAHR SKWLESYLLH LEEMGVSEEM DATA SEQUENCE QARALVLQLW ATQGNMGPAA FWLLLFLLKN PEALAAVRGE LESILWQXXX DATA SEQUENCE XXXXXTTLPQ KVLDSTPVLD SVLSESLRLT AAPFITREVV VDLAMPMADG DATA SEQUENCE REFNLRRGDR LLLFPFLSPQ RDPEIYTDPE VFKYNRFLNP DGSEKKDFYK DATA SEQUENCE DGKRLKNYNM PWGAGHNHCL GRSYAVNSIK QFVFLVLVHL DLELINADVE DATA SEQUENCE IPEFDLSRYG FGLMQPEHDV PVRYRIRPH 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 23 R HA 0.000 nan 4.340 nan 0.000 0.208 23 R C 0.000 176.243 176.300 -0.096 0.000 0.893 23 R CA 0.000 55.992 56.100 -0.181 0.000 0.921 23 R CB 0.000 30.103 30.300 -0.329 0.000 0.687 24 T N 3.252 117.757 114.554 -0.082 0.000 2.856 24 T HA 0.509 4.859 4.350 0.000 0.000 0.283 24 T C -0.268 174.403 174.700 -0.048 0.000 1.008 24 T CA -0.851 61.223 62.100 -0.044 0.000 0.997 24 T CB 1.478 70.332 68.868 -0.024 0.000 0.992 24 T HN 0.326 nan 8.240 nan 0.000 0.454 25 R N 2.034 122.520 120.500 -0.023 0.000 2.484 25 R HA 0.224 4.564 4.340 0.000 0.000 0.293 25 R C 0.405 176.698 176.300 -0.012 0.000 1.023 25 R CA 0.056 56.149 56.100 -0.011 0.000 1.037 25 R CB 0.532 30.842 30.300 0.016 0.000 0.951 25 R HN 0.411 nan 8.270 nan 0.000 0.418 26 R N 3.402 123.893 120.500 -0.014 0.000 2.543 26 R HA 0.230 4.570 4.340 0.000 0.000 0.268 26 R C -2.154 174.142 176.300 -0.006 0.000 1.067 26 R CA -1.805 54.288 56.100 -0.012 0.000 1.142 26 R CB 0.246 30.536 30.300 -0.016 0.000 1.110 26 R HN 0.357 nan 8.270 nan 0.000 0.549 27 P HA 0.008 nan 4.420 nan 0.000 0.264 27 P C 0.374 177.655 177.300 -0.031 0.000 1.193 27 P CA 0.832 63.919 63.100 -0.021 0.000 0.763 27 P CB 0.652 32.338 31.700 -0.023 0.000 0.810 28 G N 1.506 110.271 108.800 -0.058 0.000 2.199 28 G HA2 -0.237 3.723 3.960 0.000 0.000 0.254 28 G HA3 -0.237 3.723 3.960 0.000 0.000 0.254 28 G C 0.133 175.005 174.900 -0.047 0.000 0.982 28 G CA -0.252 44.783 45.100 -0.108 0.000 0.632 28 G HN 0.556 nan 8.290 nan 0.000 0.529 29 E N 1.289 121.514 120.200 0.042 0.000 2.374 29 E HA 0.377 4.727 4.350 0.000 0.000 0.260 29 E C -2.142 174.645 176.600 0.313 0.000 1.101 29 E CA -1.742 54.747 56.400 0.148 0.000 0.907 29 E CB 0.703 30.446 29.700 0.072 0.000 1.014 29 E HN 0.165 nan 8.360 nan 0.000 0.427 30 P HA 0.018 nan 4.420 nan 0.000 0.270 30 P C -2.507 174.911 177.300 0.197 0.000 1.227 30 P CA -0.877 62.426 63.100 0.338 0.000 0.788 30 P CB -0.336 31.354 31.700 -0.016 0.000 0.926 31 P HA -0.057 nan 4.420 nan 0.000 0.261 31 P C -0.745 176.572 177.300 0.029 0.000 1.165 31 P CA 0.689 63.856 63.100 0.113 0.000 0.759 31 P CB 0.086 31.868 31.700 0.137 0.000 0.772 32 L N 3.996 125.234 121.223 0.025 0.000 2.333 32 L HA 0.607 4.948 4.340 0.000 0.000 0.280 32 L C -0.852 176.034 176.870 0.026 0.000 1.004 32 L CA -0.119 54.732 54.840 0.018 0.000 0.820 32 L CB 1.597 43.671 42.059 0.025 0.000 1.247 32 L HN 0.150 nan 8.230 nan 0.000 0.416 33 D N 4.748 125.174 120.400 0.043 0.000 2.421 33 D HA 0.237 4.877 4.640 0.000 0.000 0.254 33 D C 0.345 176.792 176.300 0.245 0.000 1.238 33 D CA -0.218 53.859 54.000 0.130 0.000 0.919 33 D CB 1.071 41.888 40.800 0.029 0.000 1.152 33 D HN 0.676 nan 8.370 nan 0.000 0.552 34 L N 2.569 123.896 121.223 0.173 0.000 2.492 34 L HA 0.280 4.620 4.340 0.000 0.000 0.223 34 L C 1.632 178.468 176.870 -0.057 0.000 1.132 34 L CA 0.522 55.424 54.840 0.103 0.000 0.850 34 L CB -0.509 41.603 42.059 0.088 0.000 0.966 34 L HN 0.655 nan 8.230 nan 0.000 0.454 35 G N -0.081 108.683 108.800 -0.060 0.000 2.593 35 G HA2 -0.290 3.670 3.960 0.000 0.000 0.237 35 G HA3 -0.290 3.670 3.960 0.000 0.000 0.237 35 G C 0.456 175.229 174.900 -0.212 0.000 1.312 35 G CA -0.041 44.790 45.100 -0.448 0.000 0.896 35 G HN 0.114 nan 8.290 nan 0.000 0.574 36 S N -0.730 114.817 115.700 -0.255 0.000 2.545 36 S HA 0.364 4.834 4.470 0.000 0.000 0.232 36 S C 1.182 175.731 174.600 -0.084 0.000 1.070 36 S CA 0.464 58.602 58.200 -0.103 0.000 0.923 36 S CB 0.372 63.539 63.200 -0.054 0.000 0.806 36 S HN 0.557 nan 8.310 nan 0.000 0.506 37 I N 3.779 124.276 120.570 -0.122 0.000 2.342 37 I HA 0.278 4.448 4.170 0.000 0.000 0.291 37 I C -2.708 173.386 176.117 -0.039 0.000 1.010 37 I CA -2.463 58.800 61.300 -0.061 0.000 1.308 37 I CB 1.156 39.127 38.000 -0.049 0.000 1.400 37 I HN -0.041 nan 8.210 nan 0.000 0.488 38 P HA -0.048 nan 4.420 nan 0.000 0.271 38 P C 0.050 177.454 177.300 0.174 0.000 1.216 38 P CA 0.183 63.325 63.100 0.071 0.000 0.771 38 P CB 0.396 32.142 31.700 0.075 0.000 0.864 39 W N 2.067 123.325 121.300 -0.069 0.000 0.692 39 W HA -0.398 4.262 4.660 0.000 0.000 0.217 39 W C 1.056 177.498 176.519 -0.128 0.000 0.920 39 W CA 1.823 59.112 57.345 -0.093 0.000 0.374 39 W CB -1.831 27.590 29.460 -0.065 0.000 1.907 39 W HN 0.277 nan 8.180 nan 0.000 1.212 40 L N 0.211 121.530 121.223 0.159 0.000 2.027 40 L HA 0.100 4.440 4.340 0.000 0.000 0.206 40 L C 2.333 179.093 176.870 -0.183 0.000 1.074 40 L CA 1.952 56.798 54.840 0.010 0.000 0.745 40 L CB -1.358 40.762 42.059 0.101 0.000 0.898 40 L HN 0.640 nan 8.230 nan 0.000 0.433 41 G N -0.528 108.157 108.800 -0.192 0.000 2.561 41 G HA2 -0.387 3.573 3.960 0.000 0.000 0.289 41 G HA3 -0.387 3.573 3.960 0.000 0.000 0.289 41 G C 0.089 174.777 174.900 -0.353 0.000 1.169 41 G CA 0.590 45.499 45.100 -0.318 0.000 0.980 41 G HN 0.309 nan 8.290 nan 0.000 0.550 42 Y N 2.517 122.734 120.300 -0.138 0.000 2.645 42 Y HA 0.509 5.059 4.550 0.000 0.000 0.307 42 Y C 2.442 178.169 175.900 -0.288 0.000 1.151 42 Y CA 0.702 58.660 58.100 -0.237 0.000 1.291 42 Y CB -0.117 38.151 38.460 -0.321 0.000 1.135 42 Y HN 0.720 nan 8.280 nan 0.000 0.523 43 A N 0.338 123.104 122.820 -0.090 0.000 1.917 43 A HA -0.241 4.080 4.320 0.000 0.000 0.219 43 A C 2.101 179.690 177.584 0.009 0.000 1.182 43 A CA 1.894 53.897 52.037 -0.057 0.000 0.633 43 A CB -0.584 18.387 19.000 -0.050 0.000 0.819 43 A HN 0.511 nan 8.150 nan 0.000 0.448 44 L N 0.059 121.280 121.223 -0.003 0.000 2.027 44 L HA -0.110 4.230 4.340 0.000 0.000 0.206 44 L C 1.748 178.621 176.870 0.004 0.000 1.074 44 L CA 2.446 57.299 54.840 0.020 0.000 0.745 44 L CB -0.750 41.324 42.059 0.024 0.000 0.898 44 L HN 0.392 nan 8.230 nan 0.000 0.433 45 D N -0.857 119.500 120.400 -0.073 0.000 2.084 45 D HA -0.246 4.394 4.640 0.000 0.000 0.194 45 D C 2.092 178.287 176.300 -0.174 0.000 0.990 45 D CA 1.670 55.585 54.000 -0.142 0.000 0.826 45 D CB -0.397 40.224 40.800 -0.298 0.000 0.971 45 D HN 0.373 nan 8.370 nan 0.000 0.453 46 F N 2.009 121.650 119.950 -0.516 0.000 2.065 46 F HA -0.171 4.356 4.527 0.000 0.000 0.298 46 F C 2.385 178.183 175.800 -0.003 0.000 1.112 46 F CA 2.203 60.061 58.000 -0.237 0.000 1.212 46 F CB -0.460 38.391 39.000 -0.249 0.000 0.975 46 F HN -0.044 nan 8.300 nan 0.000 0.476 47 G N -0.321 108.588 108.800 0.181 0.000 2.418 47 G HA2 -0.306 3.654 3.960 0.000 0.000 0.217 47 G HA3 -0.306 3.654 3.960 0.000 0.000 0.217 47 G C 1.708 176.667 174.900 0.098 0.000 1.158 47 G CA 0.921 46.113 45.100 0.153 0.000 0.771 47 G HN 0.383 nan 8.290 nan 0.000 0.545 48 K N -0.334 120.117 120.400 0.085 0.000 2.025 48 K HA -0.086 4.235 4.320 0.000 0.000 0.207 48 K C -0.086 176.596 176.600 0.137 0.000 1.049 48 K CA 1.382 57.727 56.287 0.097 0.000 0.933 48 K CB 0.157 32.709 32.500 0.087 0.000 0.714 48 K HN 0.207 nan 8.250 nan 0.000 0.438 49 D N -1.202 119.286 120.400 0.147 0.000 2.584 49 D HA 0.203 4.844 4.640 0.000 0.000 0.238 49 D C -0.081 176.308 176.300 0.148 0.000 1.302 49 D CA 0.012 54.160 54.000 0.247 0.000 0.884 49 D CB 1.189 42.138 40.800 0.248 0.000 1.456 49 D HN 0.170 nan 8.370 nan 0.000 0.528 50 A N 2.204 125.027 122.820 0.004 0.000 1.972 50 A HA 0.070 4.390 4.320 0.000 0.000 0.219 50 A C 2.123 179.606 177.584 -0.169 0.000 1.169 50 A CA 1.894 53.744 52.037 -0.312 0.000 0.635 50 A CB -0.217 18.292 19.000 -0.818 0.000 0.810 50 A HN 0.546 nan 8.150 nan 0.000 0.446 51 A N -0.598 122.004 122.820 -0.364 0.000 1.873 51 A HA -0.025 4.295 4.320 0.000 0.000 0.215 51 A C 2.446 180.090 177.584 0.099 0.000 1.186 51 A CA 1.932 53.929 52.037 -0.067 0.000 0.616 51 A CB -0.833 17.986 19.000 -0.301 0.000 0.823 51 A HN 0.445 nan 8.150 nan 0.000 0.442 52 S N -0.827 114.948 115.700 0.124 0.000 2.356 52 S HA -0.135 4.335 4.470 0.000 0.000 0.223 52 S C 1.688 176.372 174.600 0.141 0.000 1.032 52 S CA 1.523 59.811 58.200 0.146 0.000 1.005 52 S CB -0.551 62.751 63.200 0.171 0.000 0.867 52 S HN 0.645 nan 8.310 nan 0.000 0.449 53 F N 2.588 122.560 119.950 0.036 0.000 2.046 53 F HA -0.072 4.456 4.527 0.000 0.000 0.297 53 F C 1.840 177.653 175.800 0.022 0.000 1.123 53 F CA 1.354 59.367 58.000 0.022 0.000 1.199 53 F CB -0.658 38.368 39.000 0.043 0.000 0.972 53 F HN 0.070 nan 8.300 nan 0.000 0.474 54 L N -0.214 120.928 121.223 -0.135 0.000 2.187 54 L HA -0.231 4.109 4.340 0.000 0.000 0.213 54 L C 2.294 179.127 176.870 -0.063 0.000 1.100 54 L CA 1.640 56.407 54.840 -0.121 0.000 0.765 54 L CB -1.148 41.032 42.059 0.201 0.000 0.904 54 L HN 0.260 nan 8.230 nan 0.000 0.437 55 T N -0.672 113.871 114.554 -0.018 0.000 2.708 55 T HA -0.165 4.185 4.350 0.000 0.000 0.266 55 T C 2.009 176.646 174.700 -0.105 0.000 1.037 55 T CA 1.151 63.242 62.100 -0.014 0.000 1.146 55 T CB -0.131 68.752 68.868 0.026 0.000 0.865 55 T HN 0.326 nan 8.240 nan 0.000 0.435 56 R N 0.594 120.999 120.500 -0.158 0.000 2.091 56 R HA -0.002 4.338 4.340 0.000 0.000 0.238 56 R C 2.539 178.638 176.300 -0.335 0.000 1.136 56 R CA 1.236 57.216 56.100 -0.201 0.000 0.959 56 R CB -0.333 29.872 30.300 -0.158 0.000 0.856 56 R HN 0.346 nan 8.270 nan 0.000 0.437 57 M N 0.744 120.020 119.600 -0.540 0.000 2.229 57 M HA -0.126 4.355 4.480 0.000 0.000 0.264 57 M C 2.172 178.040 176.300 -0.720 0.000 1.063 57 M CA 1.359 56.190 55.300 -0.782 0.000 1.114 57 M CB -0.617 31.221 32.600 -1.271 0.000 1.387 57 M HN 0.099 nan 8.290 nan 0.000 0.420 58 K N 0.794 120.990 120.400 -0.339 0.000 2.057 58 K HA -0.195 4.125 4.320 0.000 0.000 0.207 58 K C 1.729 178.265 176.600 -0.106 0.000 1.049 58 K CA 1.612 57.858 56.287 -0.068 0.000 0.931 58 K CB 0.076 32.611 32.500 0.058 0.000 0.714 58 K HN 0.300 nan 8.250 nan 0.000 0.440 59 E N 0.241 120.353 120.200 -0.147 0.000 2.077 59 E HA -0.146 4.205 4.350 0.000 0.000 0.193 59 E C 1.957 178.444 176.600 -0.188 0.000 0.989 59 E CA 1.285 57.607 56.400 -0.130 0.000 0.800 59 E CB 0.178 29.809 29.700 -0.114 0.000 0.746 59 E HN 0.215 nan 8.360 nan 0.000 0.452 60 K N -0.464 119.745 120.400 -0.319 0.000 2.057 60 K HA -0.086 4.234 4.320 0.000 0.000 0.206 60 K C 1.610 177.882 176.600 -0.546 0.000 1.050 60 K CA 1.079 57.063 56.287 -0.505 0.000 0.935 60 K CB 0.106 32.132 32.500 -0.791 0.000 0.715 60 K HN 0.286 nan 8.250 nan 0.000 0.439 61 H N -1.580 117.368 119.070 -0.203 0.000 3.046 61 H HA 0.195 4.751 4.556 0.000 0.000 0.262 61 H C 1.011 176.345 175.328 0.009 0.000 1.044 61 H CA 0.667 56.651 56.048 -0.106 0.000 1.209 61 H CB 1.329 30.983 29.762 -0.180 0.000 1.507 61 H HN 0.351 nan 8.280 nan 0.000 0.507 62 G N 1.585 110.440 108.800 0.091 0.000 2.568 62 G HA2 -0.271 3.689 3.960 0.000 0.000 0.222 62 G HA3 -0.271 3.689 3.960 0.000 0.000 0.222 62 G C -0.075 174.941 174.900 0.193 0.000 1.321 62 G CA 0.083 45.252 45.100 0.116 0.000 0.893 62 G HN 0.242 nan 8.290 nan 0.000 0.569 63 D N -0.173 120.302 120.400 0.126 0.000 2.363 63 D HA 0.276 4.916 4.640 0.000 0.000 0.226 63 D C 0.876 177.177 176.300 0.002 0.000 1.020 63 D CA 1.275 55.327 54.000 0.088 0.000 0.892 63 D CB 0.276 41.098 40.800 0.036 0.000 0.900 63 D HN 0.569 nan 8.370 nan 0.000 0.531 64 I N 0.251 120.808 120.570 -0.022 0.000 2.644 64 I HA 0.364 4.534 4.170 0.000 0.000 0.291 64 I C -1.802 174.278 176.117 -0.061 0.000 1.180 64 I CA -0.959 60.189 61.300 -0.253 0.000 1.040 64 I CB 1.151 38.794 38.000 -0.596 0.000 1.255 64 I HN -0.235 nan 8.210 nan 0.000 0.422 65 F N 2.735 122.569 119.950 -0.194 0.000 2.654 65 F HA 0.698 5.225 4.527 0.000 0.000 0.308 65 F C -1.177 174.519 175.800 -0.173 0.000 1.108 65 F CA -0.861 57.015 58.000 -0.207 0.000 0.957 65 F CB 1.360 40.183 39.000 -0.294 0.000 1.309 65 F HN 0.158 nan 8.300 nan 0.000 0.446 66 T N 3.683 118.242 114.554 0.008 0.000 2.771 66 T HA 0.732 5.082 4.350 0.000 0.000 0.281 66 T C -0.318 174.442 174.700 0.101 0.000 0.982 66 T CA -0.415 61.685 62.100 0.001 0.000 0.978 66 T CB 0.841 69.712 68.868 0.005 0.000 0.930 66 T HN 0.711 nan 8.240 nan 0.000 0.447 67 I N 0.774 121.417 120.570 0.122 0.000 2.740 67 I HA 0.781 4.951 4.170 0.000 0.000 0.303 67 I C -1.044 175.138 176.117 0.108 0.000 1.044 67 I CA -1.665 59.760 61.300 0.208 0.000 1.064 67 I CB 1.694 39.888 38.000 0.323 0.000 1.249 67 I HN 0.397 nan 8.210 nan 0.000 0.433 68 L N 5.785 127.070 121.223 0.103 0.000 2.275 68 L HA 0.759 5.099 4.340 0.000 0.000 0.288 68 L C -0.784 175.967 176.870 -0.199 0.000 1.046 68 L CA -0.349 54.379 54.840 -0.186 0.000 0.805 68 L CB 1.439 43.347 42.059 -0.251 0.000 1.193 68 L HN 0.654 nan 8.230 nan 0.000 0.426 69 V N 4.950 124.641 119.914 -0.372 0.000 2.668 69 V HA 0.719 4.840 4.120 0.000 0.000 0.304 69 V C 0.536 176.336 176.094 -0.490 0.000 1.071 69 V CA 0.162 62.241 62.300 -0.369 0.000 0.894 69 V CB 1.316 32.901 31.823 -0.396 0.000 1.008 69 V HN 1.170 nan 8.190 nan 0.000 0.425 70 G N 4.218 112.749 108.800 -0.449 0.000 2.412 70 G HA2 0.117 4.077 3.960 0.000 0.000 0.297 70 G HA3 0.117 4.077 3.960 0.000 0.000 0.297 70 G C 1.493 175.689 174.900 -1.174 0.000 0.965 70 G CA 1.200 45.966 45.100 -0.557 0.000 1.134 70 G HN 2.814 nan 8.290 nan 0.000 0.511 71 G N -1.610 106.189 108.800 -1.669 0.000 2.205 71 G HA2 -0.271 3.689 3.960 0.000 0.000 0.261 71 G HA3 -0.271 3.689 3.960 0.000 0.000 0.261 71 G C 0.569 174.831 174.900 -1.062 0.000 0.980 71 G CA 0.930 44.840 45.100 -1.983 0.000 0.632 71 G HN 0.949 nan 8.290 nan 0.000 0.533 72 R N -0.521 119.466 120.500 -0.855 0.000 2.604 72 R HA 0.577 4.917 4.340 0.000 0.000 0.287 72 R C -0.912 174.952 176.300 -0.726 0.000 0.970 72 R CA -0.896 54.817 56.100 -0.645 0.000 0.946 72 R CB 0.699 30.730 30.300 -0.448 0.000 1.127 72 R HN 0.209 nan 8.270 nan 0.000 0.473 73 Y N 0.544 120.707 120.300 -0.227 0.000 2.454 73 Y HA 0.257 4.807 4.550 0.000 0.000 0.345 73 Y C 0.371 176.153 175.900 -0.196 0.000 0.970 73 Y CA -0.668 57.325 58.100 -0.179 0.000 1.204 73 Y CB 1.091 39.476 38.460 -0.125 0.000 1.122 73 Y HN 0.068 nan 8.280 nan 0.000 0.514 74 V N 3.570 123.407 119.914 -0.127 0.000 2.350 74 V HA 0.230 4.350 4.120 0.000 0.000 0.276 74 V C 0.159 176.145 176.094 -0.181 0.000 1.028 74 V CA -0.741 61.432 62.300 -0.212 0.000 0.860 74 V CB 1.173 32.784 31.823 -0.353 0.000 0.990 74 V HN 0.728 nan 8.190 nan 0.000 0.453 75 T N 5.217 119.659 114.554 -0.188 0.000 2.723 75 T HA 0.315 4.665 4.350 0.000 0.000 0.297 75 T C 0.062 174.557 174.700 -0.342 0.000 0.925 75 T CA -0.142 61.817 62.100 -0.235 0.000 1.030 75 T CB 0.761 69.530 68.868 -0.165 0.000 0.905 75 T HN 0.382 nan 8.240 nan 0.000 0.502 76 V N 5.929 125.504 119.914 -0.564 0.000 2.432 76 V HA 0.305 4.426 4.120 0.000 0.000 0.271 76 V C 0.281 176.036 176.094 -0.566 0.000 1.046 76 V CA -0.685 61.224 62.300 -0.653 0.000 0.945 76 V CB 0.970 32.174 31.823 -1.033 0.000 0.992 76 V HN 0.709 nan 8.190 nan 0.000 0.471 77 L N 5.862 126.921 121.223 -0.273 0.000 2.287 77 L HA 0.413 4.753 4.340 0.000 0.000 0.287 77 L C -0.126 176.815 176.870 0.118 0.000 1.022 77 L CA -0.442 54.341 54.840 -0.095 0.000 0.814 77 L CB 1.539 43.604 42.059 0.010 0.000 1.217 77 L HN 0.558 nan 8.230 nan 0.000 0.420 78 L N 3.050 124.332 121.223 0.098 0.000 3.016 78 L HA 0.276 4.616 4.340 0.000 0.000 0.267 78 L C -0.073 176.815 176.870 0.029 0.000 1.182 78 L CA 0.164 55.102 54.840 0.163 0.000 0.997 78 L CB 0.123 42.265 42.059 0.138 0.000 1.354 78 L HN 0.502 nan 8.230 nan 0.000 0.569 79 D N 0.813 121.180 120.400 -0.056 0.000 2.380 79 D HA 0.195 4.835 4.640 0.000 0.000 0.230 79 D C -1.508 174.425 176.300 -0.612 0.000 1.154 79 D CA -2.027 51.856 54.000 -0.194 0.000 0.859 79 D CB 1.600 42.364 40.800 -0.060 0.000 1.045 79 D HN -0.036 nan 8.370 nan 0.000 0.495 80 P HA -0.162 nan 4.420 nan 0.000 0.220 80 P C 0.988 177.911 177.300 -0.629 0.000 1.148 80 P CA 0.911 63.328 63.100 -1.139 0.000 0.803 80 P CB 0.174 31.502 31.700 -0.619 0.000 0.782 81 H N -0.249 118.654 119.070 -0.279 0.000 2.489 81 H HA 0.079 4.635 4.556 0.000 0.000 0.293 81 H C 1.306 176.596 175.328 -0.064 0.000 1.066 81 H CA 1.129 57.107 56.048 -0.116 0.000 1.305 81 H CB -0.290 29.435 29.762 -0.061 0.000 1.386 81 H HN 0.149 nan 8.280 nan 0.000 0.551 82 S N 0.340 116.045 115.700 0.009 0.000 2.572 82 S HA 0.041 4.511 4.470 0.000 0.000 0.228 82 S C 1.085 175.796 174.600 0.185 0.000 0.963 82 S CA -0.348 57.906 58.200 0.089 0.000 0.939 82 S CB 0.031 63.281 63.200 0.084 0.000 0.804 82 S HN 0.307 nan 8.310 nan 0.000 0.480 83 Y N 2.067 122.398 120.300 0.051 0.000 2.314 83 Y HA 0.008 4.558 4.550 0.000 0.000 0.293 83 Y C 1.965 177.883 175.900 0.030 0.000 1.129 83 Y CA -0.173 57.936 58.100 0.015 0.000 1.201 83 Y CB -0.624 37.829 38.460 -0.013 0.000 0.999 83 Y HN 0.221 nan 8.280 nan 0.000 0.541 84 D N -0.357 120.198 120.400 0.259 0.000 2.264 84 D HA -0.067 4.573 4.640 0.000 0.000 0.208 84 D C 1.997 178.482 176.300 0.310 0.000 0.966 84 D CA 0.994 55.184 54.000 0.317 0.000 0.864 84 D CB -0.136 40.867 40.800 0.339 0.000 0.933 84 D HN 0.275 nan 8.370 nan 0.000 0.499 85 A N -0.159 122.789 122.820 0.214 0.000 2.235 85 A HA 0.097 4.417 4.320 0.000 0.000 0.208 85 A C 2.017 179.693 177.584 0.153 0.000 1.172 85 A CA 0.433 52.577 52.037 0.179 0.000 0.786 85 A CB 0.307 19.393 19.000 0.144 0.000 0.804 85 A HN 0.131 nan 8.150 nan 0.000 0.479 86 V N -1.276 118.714 119.914 0.126 0.000 3.058 86 V HA -0.054 4.066 4.120 0.000 0.000 0.233 86 V C 2.341 178.439 176.094 0.006 0.000 1.255 86 V CA 1.097 63.436 62.300 0.066 0.000 1.267 86 V CB 0.324 32.170 31.823 0.038 0.000 1.049 86 V HN 0.396 nan 8.190 nan 0.000 0.486 87 V N -2.605 117.238 119.914 -0.118 0.000 2.667 87 V HA -0.130 3.990 4.120 0.000 0.000 0.252 87 V C 1.794 177.644 176.094 -0.406 0.000 1.065 87 V CA 1.554 63.643 62.300 -0.351 0.000 1.083 87 V CB -0.952 30.512 31.823 -0.599 0.000 0.692 87 V HN 0.662 nan 8.190 nan 0.000 0.468 88 W N -0.190 121.109 121.300 -0.001 0.000 3.290 88 W HA 0.378 5.038 4.660 0.000 0.000 0.287 88 W C 0.886 177.481 176.519 0.127 0.000 1.288 88 W CA -0.645 56.694 57.345 -0.009 0.000 1.725 88 W CB 0.137 29.585 29.460 -0.020 0.000 1.103 88 W HN 0.068 nan 8.180 nan 0.000 0.670 89 E N 1.630 121.995 120.200 0.275 0.000 2.413 89 E HA 0.036 4.386 4.350 0.000 0.000 0.263 89 E C -1.937 174.813 176.600 0.250 0.000 1.015 89 E CA -1.683 54.854 56.400 0.228 0.000 0.916 89 E CB -0.250 29.543 29.700 0.156 0.000 0.947 89 E HN -0.132 nan 8.360 nan 0.000 0.440 90 P HA 0.127 nan 4.420 nan 0.000 0.270 90 P C 0.755 178.134 177.300 0.132 0.000 1.223 90 P CA -0.222 62.980 63.100 0.170 0.000 0.785 90 P CB 0.629 32.399 31.700 0.116 0.000 0.923 91 R N 0.461 121.017 120.500 0.094 0.000 2.127 91 R HA -0.101 4.239 4.340 0.000 0.000 0.238 91 R C 1.704 178.014 176.300 0.015 0.000 1.134 91 R CA 2.043 58.155 56.100 0.020 0.000 0.975 91 R CB -1.078 29.175 30.300 -0.078 0.000 0.865 91 R HN 0.659 nan 8.270 nan 0.000 0.447 92 T N -2.180 112.391 114.554 0.029 0.000 3.113 92 T HA -0.007 4.344 4.350 0.000 0.000 0.263 92 T C 1.672 176.393 174.700 0.035 0.000 1.143 92 T CA 0.668 62.784 62.100 0.026 0.000 1.090 92 T CB 0.062 68.947 68.868 0.028 0.000 0.922 92 T HN 0.249 nan 8.240 nan 0.000 0.521 93 R N -0.369 120.160 120.500 0.049 0.000 2.191 93 R HA 0.503 4.843 4.340 0.000 0.000 0.187 93 R C -0.025 176.306 176.300 0.051 0.000 1.078 93 R CA 0.066 56.197 56.100 0.052 0.000 1.139 93 R CB 0.427 30.766 30.300 0.066 0.000 1.120 93 R HN 0.259 nan 8.270 nan 0.000 0.536 94 L N 1.702 122.967 121.223 0.071 0.000 2.376 94 L HA 0.370 4.710 4.340 0.000 0.000 0.275 94 L C -1.539 175.388 176.870 0.095 0.000 0.987 94 L CA -0.814 54.070 54.840 0.073 0.000 0.828 94 L CB 2.076 44.184 42.059 0.083 0.000 1.249 94 L HN 0.019 nan 8.230 nan 0.000 0.409 95 D N 1.629 122.064 120.400 0.058 0.000 2.391 95 D HA 0.303 4.943 4.640 0.000 0.000 0.245 95 D C 0.312 176.651 176.300 0.065 0.000 1.069 95 D CA -0.507 53.494 54.000 0.002 0.000 0.831 95 D CB 1.225 41.995 40.800 -0.050 0.000 1.204 95 D HN 0.343 nan 8.370 nan 0.000 0.503 96 F N 2.100 122.114 119.950 0.106 0.000 2.656 96 F HA 0.244 4.772 4.527 0.000 0.000 0.291 96 F C 1.624 177.546 175.800 0.204 0.000 1.122 96 F CA 0.067 58.151 58.000 0.140 0.000 1.427 96 F CB -0.467 38.610 39.000 0.129 0.000 1.125 96 F HN 0.414 nan 8.300 nan 0.000 0.583 97 H N 1.168 119.947 119.070 -0.484 0.000 2.395 97 H HA 0.185 4.741 4.556 0.000 0.000 0.299 97 H C 2.225 177.521 175.328 -0.052 0.000 1.070 97 H CA 1.177 57.039 56.048 -0.309 0.000 1.356 97 H CB -0.318 29.114 29.762 -0.550 0.000 1.401 97 H HN 0.271 nan 8.280 nan 0.000 0.524 98 A N -0.157 122.637 122.820 -0.043 0.000 1.892 98 A HA -0.259 4.061 4.320 0.000 0.000 0.218 98 A C 2.220 179.881 177.584 0.129 0.000 1.188 98 A CA 1.877 53.914 52.037 -0.001 0.000 0.631 98 A CB -1.216 17.804 19.000 0.033 0.000 0.822 98 A HN 0.589 nan 8.150 nan 0.000 0.447 99 Y N 0.236 120.560 120.300 0.040 0.000 2.220 99 Y HA 0.042 4.592 4.550 0.000 0.000 0.291 99 Y C 2.747 178.771 175.900 0.206 0.000 1.129 99 Y CA 0.610 58.773 58.100 0.105 0.000 1.161 99 Y CB -0.722 37.781 38.460 0.073 0.000 0.997 99 Y HN 0.326 nan 8.280 nan 0.000 0.522 100 A N 0.613 123.543 122.820 0.183 0.000 1.865 100 A HA -0.202 4.118 4.320 0.000 0.000 0.217 100 A C 2.257 179.874 177.584 0.055 0.000 1.191 100 A CA 1.965 54.090 52.037 0.147 0.000 0.623 100 A CB -1.079 18.090 19.000 0.281 0.000 0.826 100 A HN 0.419 nan 8.150 nan 0.000 0.444 101 I N -1.215 119.301 120.570 -0.089 0.000 2.113 101 I HA -0.283 3.887 4.170 0.000 0.000 0.242 101 I C 2.435 178.571 176.117 0.032 0.000 1.064 101 I CA 2.128 63.371 61.300 -0.094 0.000 1.320 101 I CB -1.374 36.494 38.000 -0.220 0.000 1.028 101 I HN 0.517 nan 8.210 nan 0.000 0.406 102 F N 1.506 121.414 119.950 -0.069 0.000 2.161 102 F HA -0.205 4.322 4.527 0.000 0.000 0.300 102 F C 2.358 178.112 175.800 -0.077 0.000 1.089 102 F CA 1.589 59.559 58.000 -0.049 0.000 1.282 102 F CB -0.311 38.683 39.000 -0.009 0.000 1.010 102 F HN -0.084 nan 8.300 nan 0.000 0.485 103 L N -0.591 120.648 121.223 0.027 0.000 2.072 103 L HA -0.206 4.134 4.340 0.000 0.000 0.205 103 L C 2.559 179.444 176.870 0.025 0.000 1.079 103 L CA 1.284 56.106 54.840 -0.029 0.000 0.752 103 L CB -0.609 41.449 42.059 -0.002 0.000 0.906 103 L HN 0.222 nan 8.230 nan 0.000 0.436 104 M N -0.504 119.158 119.600 0.103 0.000 2.088 104 M HA -0.278 4.202 4.480 0.000 0.000 0.256 104 M C 2.384 178.754 176.300 0.117 0.000 1.071 104 M CA 1.949 57.357 55.300 0.179 0.000 1.097 104 M CB -0.443 32.242 32.600 0.142 0.000 1.315 104 M HN 0.215 nan 8.290 nan 0.000 0.406 105 E N 0.543 120.732 120.200 -0.019 0.000 2.028 105 E HA -0.234 4.116 4.350 0.000 0.000 0.191 105 E C 2.028 178.540 176.600 -0.147 0.000 0.988 105 E CA 1.615 57.972 56.400 -0.073 0.000 0.799 105 E CB -0.260 29.373 29.700 -0.112 0.000 0.755 105 E HN 0.453 nan 8.360 nan 0.000 0.447 106 R N 0.028 120.328 120.500 -0.333 0.000 2.092 106 R HA -0.039 4.302 4.340 0.000 0.000 0.231 106 R C 2.534 178.679 176.300 -0.260 0.000 1.119 106 R CA 1.390 57.270 56.100 -0.366 0.000 0.970 106 R CB -0.120 29.792 30.300 -0.646 0.000 0.864 106 R HN 0.235 nan 8.270 nan 0.000 0.440 107 I N -1.142 119.271 120.570 -0.262 0.000 2.429 107 I HA -0.055 4.116 4.170 0.000 0.000 0.247 107 I C 0.974 176.781 176.117 -0.516 0.000 1.099 107 I CA 0.753 61.775 61.300 -0.462 0.000 1.422 107 I CB 0.103 37.709 38.000 -0.657 0.000 1.112 107 I HN 0.076 nan 8.210 nan 0.000 0.430 108 F N 0.238 120.163 119.950 -0.042 0.000 2.678 108 F HA 0.154 4.682 4.527 0.000 0.000 0.305 108 F C 0.212 176.122 175.800 0.184 0.000 1.090 108 F CA -0.331 57.723 58.000 0.090 0.000 1.272 108 F CB 0.155 39.220 39.000 0.107 0.000 1.060 108 F HN -0.003 nan 8.300 nan 0.000 0.576 109 D N 0.939 121.462 120.400 0.206 0.000 2.837 109 D HA -0.158 4.482 4.640 0.000 0.000 0.230 109 D C -0.093 176.240 176.300 0.056 0.000 1.152 109 D CA 0.684 54.761 54.000 0.129 0.000 0.736 109 D CB -1.530 39.407 40.800 0.227 0.000 1.084 109 D HN 0.265 nan 8.370 nan 0.000 0.429 110 V N 0.144 120.116 119.914 0.097 0.000 2.398 110 V HA 0.552 4.672 4.120 0.000 0.000 0.286 110 V C -0.308 175.807 176.094 0.035 0.000 1.026 110 V CA -0.320 62.005 62.300 0.042 0.000 0.868 110 V CB 1.887 33.750 31.823 0.066 0.000 0.982 110 V HN 0.172 nan 8.190 nan 0.000 0.443 111 Q N 5.783 125.588 119.800 0.008 0.000 2.304 111 Q HA 0.738 5.078 4.340 0.000 0.000 0.270 111 Q C -1.798 174.218 176.000 0.025 0.000 1.035 111 Q CA -0.856 54.964 55.803 0.028 0.000 0.781 111 Q CB 2.283 31.034 28.738 0.021 0.000 1.261 111 Q HN 0.591 nan 8.270 nan 0.000 0.444 112 L N 2.694 123.957 121.223 0.066 0.000 2.319 112 L HA 0.681 5.021 4.340 0.000 0.000 0.267 112 L C -2.184 174.764 176.870 0.131 0.000 1.011 112 L CA -2.271 52.600 54.840 0.050 0.000 0.818 112 L CB 1.008 43.075 42.059 0.014 0.000 1.316 112 L HN 0.670 nan 8.230 nan 0.000 0.432 113 P HA 0.058 nan 4.420 nan 0.000 0.266 113 P C -0.500 177.003 177.300 0.338 0.000 1.193 113 P CA 0.017 63.223 63.100 0.176 0.000 0.770 113 P CB 0.134 31.881 31.700 0.078 0.000 0.836 114 H N 1.835 121.008 119.070 0.171 0.000 3.094 114 H HA 0.006 4.563 4.556 0.000 0.000 0.320 114 H C -0.042 175.442 175.328 0.260 0.000 1.000 114 H CA 0.714 56.879 56.048 0.195 0.000 1.413 114 H CB 0.003 29.823 29.762 0.097 0.000 1.405 114 H HN 0.497 nan 8.280 nan 0.000 0.586 115 Y N -0.585 119.811 120.300 0.159 0.000 2.644 115 Y HA 0.342 4.892 4.550 0.000 0.000 0.338 115 Y C -0.676 175.253 175.900 0.049 0.000 1.119 115 Y CA -1.312 56.862 58.100 0.123 0.000 1.060 115 Y CB 1.142 39.703 38.460 0.169 0.000 1.294 115 Y HN 0.394 nan 8.280 nan 0.000 0.472 116 S N 3.347 119.062 115.700 0.025 0.000 2.439 116 S HA 0.281 4.751 4.470 0.000 0.000 0.282 116 S C -1.581 172.906 174.600 -0.188 0.000 1.170 116 S CA -1.661 56.452 58.200 -0.145 0.000 1.054 116 S CB 0.604 63.793 63.200 -0.019 0.000 0.956 116 S HN 0.626 nan 8.310 nan 0.000 0.490 117 P HA -0.104 nan 4.420 nan 0.000 0.217 117 P C 1.426 178.744 177.300 0.029 0.000 1.150 117 P CA 1.118 64.053 63.100 -0.275 0.000 0.832 117 P CB -0.159 31.212 31.700 -0.548 0.000 0.787 118 S N -1.007 114.697 115.700 0.007 0.000 2.428 118 S HA -0.096 4.374 4.470 0.000 0.000 0.230 118 S C 1.664 176.279 174.600 0.025 0.000 1.014 118 S CA 0.949 59.171 58.200 0.037 0.000 0.957 118 S CB -1.031 62.161 63.200 -0.013 0.000 0.784 118 S HN -0.011 nan 8.310 nan 0.000 0.499 119 D N 1.732 122.147 120.400 0.025 0.000 2.103 119 D HA -0.031 4.609 4.640 0.000 0.000 0.199 119 D C 2.036 178.355 176.300 0.032 0.000 0.978 119 D CA 1.446 55.467 54.000 0.035 0.000 0.829 119 D CB -0.386 40.444 40.800 0.050 0.000 0.981 119 D HN 0.554 nan 8.370 nan 0.000 0.464 120 E N 1.279 121.517 120.200 0.063 0.000 2.107 120 E HA -0.090 4.260 4.350 0.000 0.000 0.191 120 E C 1.705 178.313 176.600 0.013 0.000 0.982 120 E CA 1.139 57.538 56.400 -0.001 0.000 0.809 120 E CB 0.049 29.802 29.700 0.089 0.000 0.756 120 E HN 0.081 nan 8.360 nan 0.000 0.459 121 K N -0.054 120.382 120.400 0.060 0.000 2.057 121 K HA -0.013 4.307 4.320 0.000 0.000 0.206 121 K C 2.143 178.754 176.600 0.020 0.000 1.050 121 K CA 1.079 57.387 56.287 0.036 0.000 0.935 121 K CB -0.200 32.318 32.500 0.030 0.000 0.715 121 K HN 0.195 nan 8.250 nan 0.000 0.439 122 A N 1.690 124.529 122.820 0.030 0.000 1.877 122 A HA -0.210 4.111 4.320 0.000 0.000 0.216 122 A C 2.128 179.726 177.584 0.024 0.000 1.186 122 A CA 1.467 53.526 52.037 0.037 0.000 0.620 122 A CB -0.495 18.529 19.000 0.040 0.000 0.822 122 A HN 0.203 nan 8.150 nan 0.000 0.443 123 R N -1.042 119.459 120.500 0.002 0.000 2.082 123 R HA -0.165 4.175 4.340 0.000 0.000 0.234 123 R C 2.345 178.640 176.300 -0.009 0.000 1.136 123 R CA 2.047 58.138 56.100 -0.015 0.000 0.935 123 R CB -0.421 29.841 30.300 -0.063 0.000 0.842 123 R HN 0.588 nan 8.270 nan 0.000 0.430 124 M N 0.796 120.388 119.600 -0.014 0.000 2.082 124 M HA -0.235 4.245 4.480 0.000 0.000 0.258 124 M C 2.258 178.592 176.300 0.057 0.000 1.069 124 M CA 1.879 57.194 55.300 0.024 0.000 1.102 124 M CB -0.116 32.503 32.600 0.032 0.000 1.336 124 M HN 0.050 nan 8.290 nan 0.000 0.404 125 K N 0.117 120.533 120.400 0.027 0.000 2.147 125 K HA -0.134 4.186 4.320 0.000 0.000 0.205 125 K C 1.797 178.391 176.600 -0.010 0.000 1.049 125 K CA 1.119 57.411 56.287 0.008 0.000 0.936 125 K CB -0.159 32.346 32.500 0.009 0.000 0.722 125 K HN 0.428 nan 8.250 nan 0.000 0.446 126 L N 0.545 121.776 121.223 0.014 0.000 2.083 126 L HA -0.154 4.186 4.340 0.000 0.000 0.209 126 L C 2.302 179.178 176.870 0.010 0.000 1.083 126 L CA 1.745 56.598 54.840 0.021 0.000 0.752 126 L CB -0.676 41.417 42.059 0.057 0.000 0.899 126 L HN 0.393 nan 8.230 nan 0.000 0.433 127 T N -3.112 111.460 114.554 0.029 0.000 3.163 127 T HA -0.051 4.299 4.350 0.000 0.000 0.260 127 T C 1.150 175.859 174.700 0.014 0.000 1.156 127 T CA 0.435 62.562 62.100 0.045 0.000 1.072 127 T CB 0.072 68.991 68.868 0.085 0.000 0.937 127 T HN 0.040 nan 8.240 nan 0.000 0.528 128 L N -0.009 121.193 121.223 -0.036 0.000 3.069 128 L HA 0.612 4.952 4.340 0.000 0.000 0.271 128 L C -0.158 176.625 176.870 -0.145 0.000 1.201 128 L CA -0.118 54.654 54.840 -0.113 0.000 1.015 128 L CB 0.031 42.027 42.059 -0.105 0.000 1.371 128 L HN 0.336 nan 8.230 nan 0.000 0.574 129 L N -2.556 118.557 121.223 -0.184 0.000 2.341 129 L HA 0.443 4.783 4.340 0.000 0.000 0.254 129 L C 0.568 177.258 176.870 -0.301 0.000 1.040 129 L CA -0.962 53.654 54.840 -0.374 0.000 0.837 129 L CB 1.794 43.428 42.059 -0.709 0.000 1.425 129 L HN 0.247 nan 8.230 nan 0.000 0.414 130 H N -0.713 118.356 119.070 -0.002 0.000 1.452 130 H HA -0.286 4.270 4.556 0.000 0.000 0.090 130 H C 1.261 176.589 175.328 0.000 0.000 0.648 130 H CA 1.371 57.419 56.048 -0.000 0.000 1.901 130 H CB -0.745 29.018 29.762 0.002 0.000 2.257 130 H HN 0.526 nan 8.280 nan 0.000 0.961 131 R N 0.893 121.484 120.500 0.152 0.000 2.115 131 R HA -0.084 4.256 4.340 0.000 0.000 0.230 131 R C 2.019 178.347 176.300 0.046 0.000 1.111 131 R CA 1.472 57.617 56.100 0.075 0.000 0.976 131 R CB -0.120 30.216 30.300 0.060 0.000 0.870 131 R HN 0.450 nan 8.270 nan 0.000 0.445 132 E N 0.984 121.206 120.200 0.038 0.000 2.072 132 E HA -0.178 4.172 4.350 0.000 0.000 0.191 132 E C 2.025 178.610 176.600 -0.025 0.000 0.985 132 E CA 0.744 57.149 56.400 0.009 0.000 0.801 132 E CB -0.279 29.424 29.700 0.005 0.000 0.750 132 E HN 0.153 nan 8.360 nan 0.000 0.452 133 L N 1.606 122.806 121.223 -0.038 0.000 2.012 133 L HA -0.240 4.100 4.340 0.000 0.000 0.210 133 L C 2.491 179.362 176.870 0.001 0.000 1.073 133 L CA 1.944 56.757 54.840 -0.044 0.000 0.748 133 L CB -0.699 41.329 42.059 -0.052 0.000 0.891 133 L HN 0.006 nan 8.230 nan 0.000 0.431 134 Q N -0.037 119.772 119.800 0.016 0.000 2.061 134 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 134 Q C 2.166 178.187 176.000 0.034 0.000 0.984 134 Q CA 2.400 58.218 55.803 0.026 0.000 0.846 134 Q CB -0.632 28.123 28.738 0.028 0.000 0.902 134 Q HN 0.623 nan 8.270 nan 0.000 0.421 135 A N 0.180 123.021 122.820 0.036 0.000 1.883 135 A HA -0.173 4.147 4.320 0.000 0.000 0.217 135 A C 2.192 179.800 177.584 0.040 0.000 1.186 135 A CA 1.652 53.726 52.037 0.060 0.000 0.624 135 A CB -0.914 18.132 19.000 0.076 0.000 0.822 135 A HN 0.466 nan 8.150 nan 0.000 0.444 136 L N -0.860 120.353 121.223 -0.018 0.000 2.017 136 L HA -0.171 4.170 4.340 0.000 0.000 0.208 136 L C 2.840 179.751 176.870 0.068 0.000 1.073 136 L CA 1.830 56.627 54.840 -0.071 0.000 0.745 136 L CB -0.945 40.956 42.059 -0.262 0.000 0.894 136 L HN 0.372 nan 8.230 nan 0.000 0.432 137 T N -0.752 113.863 114.554 0.103 0.000 2.720 137 T HA -0.201 4.149 4.350 0.000 0.000 0.268 137 T C 1.721 176.490 174.700 0.115 0.000 1.037 137 T CA 1.460 63.640 62.100 0.133 0.000 1.144 137 T CB -0.174 68.742 68.868 0.080 0.000 0.864 137 T HN 0.409 nan 8.240 nan 0.000 0.444 138 E N 1.017 121.270 120.200 0.088 0.000 2.047 138 E HA -0.020 4.330 4.350 0.000 0.000 0.191 138 E C 2.636 179.314 176.600 0.131 0.000 0.987 138 E CA 0.922 57.384 56.400 0.103 0.000 0.799 138 E CB -0.231 29.518 29.700 0.082 0.000 0.752 138 E HN 0.471 nan 8.360 nan 0.000 0.449 139 A N 1.230 124.104 122.820 0.090 0.000 1.902 139 A HA -0.222 4.098 4.320 0.000 0.000 0.217 139 A C 2.138 179.752 177.584 0.051 0.000 1.181 139 A CA 1.590 53.644 52.037 0.029 0.000 0.623 139 A CB -0.432 18.472 19.000 -0.159 0.000 0.818 139 A HN 0.176 nan 8.150 nan 0.000 0.443 140 M N -1.719 117.944 119.600 0.105 0.000 2.108 140 M HA -0.142 4.338 4.480 0.000 0.000 0.261 140 M C 1.937 178.323 176.300 0.143 0.000 1.066 140 M CA 1.779 57.163 55.300 0.139 0.000 1.107 140 M CB -0.859 31.874 32.600 0.222 0.000 1.356 140 M HN 0.526 nan 8.290 nan 0.000 0.406 141 Y N -0.205 120.125 120.300 0.051 0.000 2.200 141 Y HA -0.187 4.363 4.550 0.000 0.000 0.290 141 Y C 2.606 178.550 175.900 0.073 0.000 1.137 141 Y CA 2.347 60.481 58.100 0.057 0.000 1.163 141 Y CB -0.867 37.608 38.460 0.025 0.000 0.988 141 Y HN 0.440 nan 8.280 nan 0.000 0.518 142 T N -0.530 114.038 114.554 0.024 0.000 2.821 142 T HA -0.154 4.196 4.350 0.000 0.000 0.267 142 T C 1.775 176.460 174.700 -0.025 0.000 1.046 142 T CA 1.785 63.855 62.100 -0.050 0.000 1.139 142 T CB -0.351 68.527 68.868 0.016 0.000 0.871 142 T HN 0.391 nan 8.240 nan 0.000 0.454 143 N N 1.067 119.768 118.700 0.001 0.000 2.142 143 N HA -0.012 4.728 4.740 0.000 0.000 0.186 143 N C 1.794 177.302 175.510 -0.005 0.000 1.023 143 N CA 0.794 53.849 53.050 0.007 0.000 0.852 143 N CB -0.595 37.899 38.487 0.012 0.000 0.998 143 N HN 0.269 nan 8.380 nan 0.000 0.424 144 L N 1.642 122.853 121.223 -0.021 0.000 2.017 144 L HA -0.153 4.188 4.340 0.000 0.000 0.208 144 L C 2.357 179.169 176.870 -0.097 0.000 1.073 144 L CA 1.669 56.492 54.840 -0.028 0.000 0.745 144 L CB -1.310 40.758 42.059 0.016 0.000 0.894 144 L HN 0.354 nan 8.230 nan 0.000 0.432 145 H N -0.520 118.378 119.070 -0.287 0.000 2.290 145 H HA -0.158 4.398 4.556 0.000 0.000 0.298 145 H C 1.929 177.137 175.328 -0.200 0.000 1.087 145 H CA 1.888 57.738 56.048 -0.329 0.000 1.291 145 H CB 0.227 29.714 29.762 -0.458 0.000 1.369 145 H HN 0.347 nan 8.280 nan 0.000 0.492 146 A N 0.431 123.276 122.820 0.043 0.000 1.902 146 A HA -0.113 4.207 4.320 0.000 0.000 0.217 146 A C 2.936 180.510 177.584 -0.017 0.000 1.181 146 A CA 1.821 53.877 52.037 0.033 0.000 0.623 146 A CB -0.906 18.118 19.000 0.040 0.000 0.818 146 A HN 0.312 nan 8.150 nan 0.000 0.443 147 V N -0.105 119.807 119.914 -0.002 0.000 2.323 147 V HA -0.185 3.935 4.120 0.000 0.000 0.244 147 V C 2.456 178.605 176.094 0.092 0.000 1.041 147 V CA 1.717 64.054 62.300 0.062 0.000 1.025 147 V CB -0.641 31.241 31.823 0.098 0.000 0.656 147 V HN 0.615 nan 8.190 nan 0.000 0.451 148 L N -0.451 120.710 121.223 -0.103 0.000 2.005 148 L HA -0.101 4.240 4.340 0.000 0.000 0.207 148 L C 2.304 179.000 176.870 -0.290 0.000 1.072 148 L CA 2.014 56.579 54.840 -0.459 0.000 0.744 148 L CB -0.276 41.371 42.059 -0.686 0.000 0.895 148 L HN 0.286 nan 8.230 nan 0.000 0.433 149 L N -0.685 120.333 121.223 -0.342 0.000 2.156 149 L HA -0.061 4.279 4.340 0.000 0.000 0.208 149 L C 2.638 179.437 176.870 -0.117 0.000 1.095 149 L CA 0.883 55.549 54.840 -0.290 0.000 0.770 149 L CB -1.095 40.634 42.059 -0.549 0.000 0.914 149 L HN 0.348 nan 8.230 nan 0.000 0.439 150 G N 0.054 108.806 108.800 -0.081 0.000 2.421 150 G HA2 -0.280 3.680 3.960 0.000 0.000 0.216 150 G HA3 -0.280 3.680 3.960 0.000 0.000 0.216 150 G C 1.101 176.016 174.900 0.025 0.000 1.171 150 G CA 0.926 46.014 45.100 -0.021 0.000 0.775 150 G HN 0.264 nan 8.290 nan 0.000 0.543 151 D N 0.575 121.023 120.400 0.080 0.000 2.144 151 D HA 0.046 4.686 4.640 0.000 0.000 0.199 151 D C 2.769 179.145 176.300 0.126 0.000 0.984 151 D CA 1.164 55.245 54.000 0.134 0.000 0.834 151 D CB -0.267 40.707 40.800 0.290 0.000 0.955 151 D HN 0.294 nan 8.370 nan 0.000 0.465 152 A N -0.301 122.610 122.820 0.152 0.000 1.897 152 A HA -0.105 4.215 4.320 0.000 0.000 0.215 152 A C 2.293 179.947 177.584 0.116 0.000 1.181 152 A CA 1.765 53.919 52.037 0.195 0.000 0.620 152 A CB -0.773 18.393 19.000 0.276 0.000 0.821 152 A HN 0.198 nan 8.150 nan 0.000 0.443 153 T N -0.353 114.239 114.554 0.065 0.000 2.746 153 T HA -0.150 4.200 4.350 0.000 0.000 0.267 153 T C 1.848 176.579 174.700 0.052 0.000 1.039 153 T CA 1.434 63.566 62.100 0.052 0.000 1.142 153 T CB -0.215 68.677 68.868 0.040 0.000 0.866 153 T HN 0.659 nan 8.240 nan 0.000 0.444 154 E N 0.920 121.144 120.200 0.041 0.000 2.110 154 E HA -0.098 4.253 4.350 0.000 0.000 0.193 154 E C 2.273 178.880 176.600 0.011 0.000 0.988 154 E CA 1.038 57.456 56.400 0.031 0.000 0.804 154 E CB -0.133 29.581 29.700 0.024 0.000 0.745 154 E HN 0.494 nan 8.360 nan 0.000 0.458 155 A N 0.517 123.318 122.820 -0.030 0.000 2.072 155 A HA 0.287 4.607 4.320 0.000 0.000 0.216 155 A C 1.100 178.722 177.584 0.063 0.000 1.156 155 A CA 1.236 53.210 52.037 -0.105 0.000 0.701 155 A CB -0.224 18.484 19.000 -0.487 0.000 0.816 155 A HN 0.463 nan 8.150 nan 0.000 0.458 156 G N -1.460 107.413 108.800 0.120 0.000 2.592 156 G HA2 0.021 3.982 3.960 0.000 0.000 0.684 156 G HA3 0.021 3.982 3.960 0.000 0.000 0.684 156 G C 0.608 175.591 174.900 0.139 0.000 1.291 156 G CA 0.375 45.552 45.100 0.128 0.000 0.891 156 G HN 1.238 nan 8.290 nan 0.000 0.544 157 S N -0.652 115.054 115.700 0.010 0.000 2.522 157 S HA 0.402 4.872 4.470 0.000 0.000 0.227 157 S C 1.580 176.029 174.600 -0.251 0.000 0.986 157 S CA 1.349 59.489 58.200 -0.099 0.000 0.929 157 S CB -0.066 63.073 63.200 -0.102 0.000 0.769 157 S HN 2.071 nan 8.310 nan 0.000 0.529 158 G N 0.231 108.877 108.800 -0.256 0.000 2.621 158 G HA2 0.385 4.345 3.960 0.000 0.000 0.271 158 G HA3 0.385 4.345 3.960 0.000 0.000 0.271 158 G C -0.598 173.903 174.900 -0.665 0.000 1.236 158 G CA -1.215 43.670 45.100 -0.358 0.000 0.958 158 G HN 0.510 nan 8.290 nan 0.000 0.512 159 W N -0.691 120.343 121.300 -0.443 0.000 2.193 159 W HA 0.388 5.049 4.660 0.000 0.000 0.338 159 W C 0.424 176.564 176.519 -0.632 0.000 1.310 159 W CA 0.349 57.401 57.345 -0.489 0.000 1.243 159 W CB 0.319 29.635 29.460 -0.240 0.000 1.165 159 W HN 0.432 nan 8.180 nan 0.000 0.566 160 H N 0.688 119.724 119.070 -0.057 0.000 2.600 160 H HA 0.294 4.850 4.556 0.000 0.000 0.357 160 H C -0.611 174.715 175.328 -0.004 0.000 1.106 160 H CA -1.101 54.877 56.048 -0.117 0.000 1.193 160 H CB 1.556 31.129 29.762 -0.315 0.000 1.594 160 H HN 0.317 nan 8.280 nan 0.000 0.526 161 E N 2.632 122.938 120.200 0.176 0.000 2.231 161 E HA 0.500 4.850 4.350 0.000 0.000 0.277 161 E C -0.864 175.849 176.600 0.188 0.000 0.999 161 E CA -0.723 55.760 56.400 0.138 0.000 0.827 161 E CB 2.377 32.118 29.700 0.069 0.000 1.101 161 E HN 0.401 nan 8.360 nan 0.000 0.393 162 M N 0.474 120.185 119.600 0.185 0.000 2.562 162 M HA 0.340 4.820 4.480 0.000 0.000 0.281 162 M C -1.144 175.256 176.300 0.165 0.000 1.195 162 M CA -0.302 55.134 55.300 0.226 0.000 0.888 162 M CB 2.026 34.861 32.600 0.393 0.000 1.731 162 M HN 0.574 nan 8.290 nan 0.000 0.493 163 G N 2.019 110.913 108.800 0.156 0.000 2.406 163 G HA2 0.374 4.334 3.960 0.000 0.000 0.251 163 G HA3 0.374 4.334 3.960 0.000 0.000 0.251 163 G C 0.289 175.302 174.900 0.189 0.000 1.271 163 G CA -0.510 44.669 45.100 0.130 0.000 0.859 163 G HN 0.811 nan 8.290 nan 0.000 0.540 164 L N 2.909 124.250 121.223 0.197 0.000 2.083 164 L HA -0.044 4.296 4.340 0.000 0.000 0.209 164 L C 2.462 179.584 176.870 0.419 0.000 1.083 164 L CA 1.498 56.522 54.840 0.306 0.000 0.752 164 L CB -0.519 41.715 42.059 0.292 0.000 0.899 164 L HN 0.552 nan 8.230 nan 0.000 0.433 165 L N -0.414 120.865 121.223 0.094 0.000 1.976 165 L HA -0.218 4.123 4.340 0.000 0.000 0.209 165 L C 2.105 179.024 176.870 0.081 0.000 1.071 165 L CA 2.012 56.715 54.840 -0.228 0.000 0.746 165 L CB -1.046 40.548 42.059 -0.775 0.000 0.890 165 L HN 0.280 nan 8.230 nan 0.000 0.432 166 D N -0.919 119.543 120.400 0.104 0.000 2.149 166 D HA -0.284 4.357 4.640 0.000 0.000 0.194 166 D C 2.016 178.366 176.300 0.083 0.000 1.001 166 D CA 1.769 55.858 54.000 0.148 0.000 0.849 166 D CB -0.396 40.495 40.800 0.152 0.000 0.939 166 D HN 0.425 nan 8.370 nan 0.000 0.449 167 F N 1.474 121.458 119.950 0.058 0.000 2.046 167 F HA -0.237 4.290 4.527 0.000 0.000 0.297 167 F C 2.468 178.386 175.800 0.197 0.000 1.123 167 F CA 1.748 59.832 58.000 0.141 0.000 1.199 167 F CB -0.259 38.884 39.000 0.237 0.000 0.972 167 F HN -0.143 nan 8.300 nan 0.000 0.474 168 S N -0.688 115.215 115.700 0.340 0.000 2.368 168 S HA -0.185 4.285 4.470 0.000 0.000 0.224 168 S C 1.799 176.298 174.600 -0.169 0.000 1.029 168 S CA 1.041 59.331 58.200 0.149 0.000 0.988 168 S CB -0.802 62.618 63.200 0.366 0.000 0.838 168 S HN 0.480 nan 8.310 nan 0.000 0.462 169 Y N 2.323 122.509 120.300 -0.190 0.000 2.163 169 Y HA -0.079 4.471 4.550 0.000 0.000 0.288 169 Y C 2.937 178.475 175.900 -0.603 0.000 1.136 169 Y CA 0.621 58.605 58.100 -0.193 0.000 1.147 169 Y CB -1.192 37.320 38.460 0.087 0.000 0.987 169 Y HN 0.285 nan 8.280 nan 0.000 0.509 170 S N -0.161 114.930 115.700 -1.014 0.000 2.377 170 S HA -0.267 4.203 4.470 0.000 0.000 0.224 170 S C 2.068 176.014 174.600 -1.090 0.000 1.042 170 S CA 2.150 59.256 58.200 -1.824 0.000 1.086 170 S CB -0.812 61.449 63.200 -1.564 0.000 0.995 170 S HN 0.329 nan 8.310 nan 0.000 0.428 171 F N 1.162 120.703 119.950 -0.683 0.000 2.186 171 F HA 0.143 4.670 4.527 0.000 0.000 0.299 171 F C 2.213 177.691 175.800 -0.536 0.000 1.090 171 F CA 0.755 58.411 58.000 -0.573 0.000 1.307 171 F CB -0.570 38.083 39.000 -0.578 0.000 1.019 171 F HN 0.195 nan 8.300 nan 0.000 0.489 172 L N -0.724 120.210 121.223 -0.481 0.000 2.044 172 L HA -0.164 4.176 4.340 0.000 0.000 0.205 172 L C 2.460 179.215 176.870 -0.192 0.000 1.075 172 L CA 0.900 55.508 54.840 -0.386 0.000 0.747 172 L CB -0.588 41.197 42.059 -0.455 0.000 0.903 172 L HN 0.157 nan 8.230 nan 0.000 0.435 173 L N -0.388 120.752 121.223 -0.140 0.000 2.046 173 L HA -0.244 4.096 4.340 0.000 0.000 0.208 173 L C 2.846 179.673 176.870 -0.072 0.000 1.077 173 L CA 1.450 56.251 54.840 -0.065 0.000 0.747 173 L CB -0.155 41.925 42.059 0.034 0.000 0.896 173 L HN 0.150 nan 8.230 nan 0.000 0.432 174 R N -0.341 120.064 120.500 -0.158 0.000 2.073 174 R HA -0.126 4.214 4.340 0.000 0.000 0.234 174 R C 2.358 178.678 176.300 0.033 0.000 1.134 174 R CA 1.372 57.424 56.100 -0.078 0.000 0.952 174 R CB -0.590 29.598 30.300 -0.186 0.000 0.850 174 R HN 0.521 nan 8.270 nan 0.000 0.433 175 A N 0.612 123.423 122.820 -0.015 0.000 1.902 175 A HA -0.067 4.253 4.320 0.000 0.000 0.217 175 A C 2.378 179.986 177.584 0.039 0.000 1.181 175 A CA 1.715 53.760 52.037 0.013 0.000 0.623 175 A CB -1.130 17.863 19.000 -0.011 0.000 0.818 175 A HN 0.474 nan 8.150 nan 0.000 0.443 176 G N -1.552 107.269 108.800 0.035 0.000 2.418 176 G HA2 -0.277 3.684 3.960 0.000 0.000 0.217 176 G HA3 -0.277 3.684 3.960 0.000 0.000 0.217 176 G C 1.556 176.527 174.900 0.118 0.000 1.158 176 G CA 1.279 46.430 45.100 0.085 0.000 0.771 176 G HN 0.623 nan 8.290 nan 0.000 0.545 177 Y N 1.171 121.481 120.300 0.017 0.000 2.181 177 Y HA -0.023 4.527 4.550 0.000 0.000 0.288 177 Y C 2.443 178.444 175.900 0.169 0.000 1.146 177 Y CA 1.380 59.530 58.100 0.084 0.000 1.164 177 Y CB -0.234 38.163 38.460 -0.105 0.000 0.982 177 Y HN 0.110 nan 8.280 nan 0.000 0.515 178 L N -0.853 120.328 121.223 -0.070 0.000 2.156 178 L HA -0.166 4.174 4.340 0.000 0.000 0.208 178 L C 2.248 179.040 176.870 -0.129 0.000 1.095 178 L CA 1.540 56.298 54.840 -0.137 0.000 0.770 178 L CB -0.721 41.348 42.059 0.016 0.000 0.914 178 L HN 0.228 nan 8.230 nan 0.000 0.439 179 T N 0.103 114.606 114.554 -0.086 0.000 2.770 179 T HA -0.072 4.278 4.350 0.000 0.000 0.263 179 T C 1.956 176.544 174.700 -0.186 0.000 1.039 179 T CA 1.057 63.077 62.100 -0.133 0.000 1.142 179 T CB -0.097 68.745 68.868 -0.043 0.000 0.868 179 T HN 0.170 nan 8.240 nan 0.000 0.435 180 L N -0.845 120.280 121.223 -0.162 0.000 2.095 180 L HA 0.047 4.387 4.340 0.000 0.000 0.204 180 L C 1.992 178.755 176.870 -0.179 0.000 1.080 180 L CA 1.323 56.029 54.840 -0.223 0.000 0.759 180 L CB -0.380 41.412 42.059 -0.445 0.000 0.914 180 L HN 0.287 nan 8.230 nan 0.000 0.439 181 Y N -0.072 120.113 120.300 -0.192 0.000 2.457 181 Y HA 0.373 4.924 4.550 0.000 0.000 0.263 181 Y C 1.342 177.121 175.900 -0.202 0.000 1.164 181 Y CA 0.249 58.230 58.100 -0.198 0.000 1.274 181 Y CB 0.117 38.324 38.460 -0.423 0.000 1.097 181 Y HN 0.200 nan 8.280 nan 0.000 0.523 182 G N 1.108 109.854 108.800 -0.090 0.000 2.712 182 G HA2 -0.150 3.810 3.960 0.000 0.000 0.683 182 G HA3 -0.150 3.810 3.960 0.000 0.000 0.683 182 G C -0.672 174.207 174.900 -0.035 0.000 1.320 182 G CA -0.522 44.551 45.100 -0.044 0.000 0.847 182 G HN 0.343 nan 8.290 nan 0.000 0.553 183 I N -2.889 117.693 120.570 0.020 0.000 3.023 183 I HA 0.849 5.019 4.170 0.000 0.000 0.312 183 I C 1.243 177.388 176.117 0.046 0.000 1.056 183 I CA -0.712 60.614 61.300 0.043 0.000 1.033 183 I CB 1.903 39.935 38.000 0.054 0.000 1.233 183 I HN 0.661 nan 8.210 nan 0.000 0.462 184 E N 2.500 122.728 120.200 0.048 0.000 2.058 184 E HA 0.021 4.372 4.350 0.000 0.000 0.194 184 E C 0.247 176.864 176.600 0.029 0.000 0.997 184 E CA 1.785 58.201 56.400 0.027 0.000 0.801 184 E CB 0.094 29.812 29.700 0.030 0.000 0.746 184 E HN 0.822 nan 8.360 nan 0.000 0.450 185 A N -0.661 122.182 122.820 0.039 0.000 2.574 185 A HA 0.538 4.859 4.320 0.000 0.000 0.297 185 A C -1.203 176.408 177.584 0.045 0.000 1.062 185 A CA -0.638 51.422 52.037 0.037 0.000 0.686 185 A CB 1.310 20.328 19.000 0.031 0.000 1.285 185 A HN 0.166 nan 8.150 nan 0.000 0.403 186 L N 2.911 124.156 121.223 0.037 0.000 2.960 186 L HA 0.333 4.673 4.340 0.000 0.000 0.274 186 L C -1.611 175.268 176.870 0.014 0.000 1.327 186 L CA -0.916 53.942 54.840 0.031 0.000 0.860 186 L CB 1.056 43.129 42.059 0.024 0.000 1.239 186 L HN 0.751 nan 8.230 nan 0.000 0.551 187 P HA 0.160 nan 4.420 nan 0.000 0.260 187 P C -0.131 177.184 177.300 0.025 0.000 1.222 187 P CA -0.262 62.848 63.100 0.016 0.000 0.843 187 P CB 0.394 32.105 31.700 0.017 0.000 1.159 188 R N 0.882 121.402 120.500 0.034 0.000 1.955 188 R HA -0.063 4.277 4.340 0.000 0.000 0.380 188 R C -0.441 175.887 176.300 0.046 0.000 1.164 188 R CA 0.955 57.080 56.100 0.041 0.000 0.888 188 R CB -2.329 27.997 30.300 0.044 0.000 2.758 188 R HN 0.451 nan 8.270 nan 0.000 0.488 189 T N -0.733 113.851 114.554 0.050 0.000 2.938 189 T HA 0.342 4.692 4.350 0.000 0.000 0.285 189 T C 1.113 175.865 174.700 0.087 0.000 1.028 189 T CA -0.273 61.871 62.100 0.072 0.000 1.005 189 T CB 1.435 70.345 68.868 0.071 0.000 1.157 189 T HN 0.551 nan 8.240 nan 0.000 0.550 190 H N 0.810 119.898 119.070 0.029 0.000 2.387 190 H HA -0.089 4.467 4.556 0.000 0.000 0.299 190 H C 1.760 177.107 175.328 0.032 0.000 1.090 190 H CA 2.270 58.337 56.048 0.031 0.000 1.332 190 H CB 0.277 30.055 29.762 0.027 0.000 1.386 190 H HN 0.794 nan 8.280 nan 0.000 0.516 191 E N 0.316 120.594 120.200 0.131 0.000 2.158 191 E HA -0.093 4.258 4.350 0.000 0.000 0.191 191 E C 2.345 178.966 176.600 0.035 0.000 0.982 191 E CA 1.039 57.491 56.400 0.086 0.000 0.823 191 E CB -0.443 29.313 29.700 0.093 0.000 0.766 191 E HN 0.497 nan 8.360 nan 0.000 0.468 192 S N 1.195 116.915 115.700 0.033 0.000 2.371 192 S HA -0.142 4.328 4.470 0.000 0.000 0.224 192 S C 2.118 176.728 174.600 0.017 0.000 1.029 192 S CA 0.704 58.921 58.200 0.028 0.000 0.978 192 S CB -0.317 62.903 63.200 0.034 0.000 0.833 192 S HN 0.195 nan 8.310 nan 0.000 0.466 193 Q N 1.139 120.934 119.800 -0.009 0.000 2.124 193 Q HA 0.017 4.357 4.340 0.000 0.000 0.202 193 Q C 2.609 178.584 176.000 -0.042 0.000 0.977 193 Q CA 1.438 57.225 55.803 -0.025 0.000 0.850 193 Q CB -0.531 28.175 28.738 -0.053 0.000 0.901 193 Q HN 0.790 nan 8.270 nan 0.000 0.429 194 A N 0.717 123.486 122.820 -0.085 0.000 1.930 194 A HA -0.233 4.087 4.320 0.000 0.000 0.217 194 A C 2.027 179.614 177.584 0.006 0.000 1.175 194 A CA 1.534 53.533 52.037 -0.063 0.000 0.627 194 A CB -0.411 18.541 19.000 -0.081 0.000 0.815 194 A HN 0.212 nan 8.150 nan 0.000 0.443 195 Q N 0.195 120.010 119.800 0.024 0.000 2.167 195 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 195 Q C 1.196 177.255 176.000 0.099 0.000 0.970 195 Q CA 1.854 57.690 55.803 0.055 0.000 0.855 195 Q CB -0.307 28.458 28.738 0.045 0.000 0.911 195 Q HN 0.596 nan 8.270 nan 0.000 0.438 196 D N -0.769 119.687 120.400 0.093 0.000 2.183 196 D HA -0.052 4.588 4.640 0.000 0.000 0.203 196 D C 1.683 178.058 176.300 0.124 0.000 0.969 196 D CA 0.524 54.613 54.000 0.149 0.000 0.842 196 D CB 0.062 40.934 40.800 0.120 0.000 0.957 196 D HN 0.272 nan 8.370 nan 0.000 0.484 197 R N 0.283 120.824 120.500 0.068 0.000 2.081 197 R HA -0.063 4.277 4.340 0.000 0.000 0.235 197 R C 2.322 178.648 176.300 0.044 0.000 1.131 197 R CA 0.735 56.860 56.100 0.042 0.000 0.960 197 R CB -0.285 30.029 30.300 0.023 0.000 0.856 197 R HN 0.090 nan 8.270 nan 0.000 0.436 198 V N 0.004 119.956 119.914 0.064 0.000 2.283 198 V HA -0.233 3.887 4.120 0.000 0.000 0.243 198 V C 2.221 178.368 176.094 0.089 0.000 1.039 198 V CA 2.139 64.479 62.300 0.067 0.000 1.016 198 V CB -0.687 31.175 31.823 0.064 0.000 0.650 198 V HN 0.378 nan 8.190 nan 0.000 0.449 199 H N 1.606 120.699 119.070 0.038 0.000 2.319 199 H HA -0.173 4.383 4.556 0.000 0.000 0.299 199 H C 2.456 177.791 175.328 0.011 0.000 1.092 199 H CA 2.312 58.384 56.048 0.040 0.000 1.302 199 H CB -0.358 29.453 29.762 0.081 0.000 1.373 199 H HN 0.502 nan 8.280 nan 0.000 0.497 200 S N -0.016 115.612 115.700 -0.120 0.000 2.382 200 S HA -0.115 4.355 4.470 0.000 0.000 0.228 200 S C 2.458 176.939 174.600 -0.199 0.000 1.027 200 S CA 0.973 59.042 58.200 -0.219 0.000 0.991 200 S CB -0.864 62.348 63.200 0.020 0.000 0.823 200 S HN 0.608 nan 8.310 nan 0.000 0.469 201 A N 2.116 124.888 122.820 -0.080 0.000 1.902 201 A HA -0.135 4.185 4.320 0.000 0.000 0.217 201 A C 2.006 179.664 177.584 0.124 0.000 1.181 201 A CA 1.895 53.944 52.037 0.020 0.000 0.623 201 A CB -1.187 17.881 19.000 0.112 0.000 0.818 201 A HN 0.599 nan 8.150 nan 0.000 0.443 202 D N -0.325 120.084 120.400 0.016 0.000 2.097 202 D HA -0.121 4.519 4.640 0.000 0.000 0.195 202 D C 1.837 178.061 176.300 -0.127 0.000 0.989 202 D CA 1.575 55.570 54.000 -0.009 0.000 0.827 202 D CB -0.222 40.562 40.800 -0.027 0.000 0.966 202 D HN 0.142 nan 8.370 nan 0.000 0.456 203 V N 0.279 119.998 119.914 -0.324 0.000 2.287 203 V HA -0.205 3.915 4.120 0.000 0.000 0.248 203 V C 2.282 178.212 176.094 -0.273 0.000 1.053 203 V CA 1.775 63.817 62.300 -0.430 0.000 1.027 203 V CB -0.769 30.502 31.823 -0.920 0.000 0.646 203 V HN 0.234 nan 8.190 nan 0.000 0.447 204 F N 0.615 120.326 119.950 -0.398 0.000 2.102 204 F HA -0.210 4.317 4.527 0.000 0.000 0.298 204 F C 2.579 178.168 175.800 -0.350 0.000 1.105 204 F CA 2.056 59.813 58.000 -0.405 0.000 1.239 204 F CB -0.518 38.147 39.000 -0.559 0.000 0.991 204 F HN 0.274 nan 8.300 nan 0.000 0.474 205 H N -0.810 118.104 119.070 -0.259 0.000 2.389 205 H HA -0.074 4.482 4.556 0.000 0.000 0.299 205 H C 2.175 177.304 175.328 -0.331 0.000 1.081 205 H CA 1.860 57.707 56.048 -0.336 0.000 1.345 205 H CB -0.817 28.867 29.762 -0.131 0.000 1.393 205 H HN 0.284 nan 8.280 nan 0.000 0.520 206 T N 1.499 115.965 114.554 -0.147 0.000 2.701 206 T HA -0.143 4.207 4.350 0.000 0.000 0.263 206 T C 1.875 176.433 174.700 -0.236 0.000 1.040 206 T CA 1.075 63.073 62.100 -0.170 0.000 1.147 206 T CB -0.689 68.097 68.868 -0.136 0.000 0.865 206 T HN 0.236 nan 8.240 nan 0.000 0.426 207 F N 2.694 122.432 119.950 -0.353 0.000 2.120 207 F HA -0.185 4.342 4.527 0.000 0.000 0.300 207 F C 2.358 177.918 175.800 -0.398 0.000 1.095 207 F CA 1.303 59.105 58.000 -0.331 0.000 1.249 207 F CB -0.132 38.683 39.000 -0.308 0.000 0.995 207 F HN -0.133 nan 8.300 nan 0.000 0.480 208 R N 0.606 120.697 120.500 -0.682 0.000 2.120 208 R HA -0.148 4.192 4.340 0.000 0.000 0.234 208 R C 2.168 178.127 176.300 -0.568 0.000 1.123 208 R CA 1.593 57.222 56.100 -0.785 0.000 0.975 208 R CB -0.876 28.884 30.300 -0.900 0.000 0.866 208 R HN 0.539 nan 8.270 nan 0.000 0.446 209 Q N 0.112 119.649 119.800 -0.438 0.000 2.124 209 Q HA -0.141 4.200 4.340 0.000 0.000 0.202 209 Q C 2.055 177.808 176.000 -0.413 0.000 0.977 209 Q CA 1.124 56.740 55.803 -0.311 0.000 0.850 209 Q CB -0.166 28.447 28.738 -0.210 0.000 0.901 209 Q HN 0.129 nan 8.270 nan 0.000 0.429 210 L N 0.855 121.760 121.223 -0.530 0.000 2.072 210 L HA -0.140 4.200 4.340 0.000 0.000 0.205 210 L C 1.754 178.274 176.870 -0.583 0.000 1.079 210 L CA 1.988 56.497 54.840 -0.551 0.000 0.752 210 L CB -0.497 41.245 42.059 -0.528 0.000 0.906 210 L HN 0.075 nan 8.230 nan 0.000 0.436 211 D N -0.225 119.727 120.400 -0.745 0.000 2.116 211 D HA -0.237 4.403 4.640 0.000 0.000 0.193 211 D C 2.283 178.355 176.300 -0.380 0.000 0.998 211 D CA 1.559 55.200 54.000 -0.599 0.000 0.836 211 D CB -0.043 40.352 40.800 -0.675 0.000 0.951 211 D HN 0.291 nan 8.370 nan 0.000 0.449 212 R N -0.978 119.321 120.500 -0.335 0.000 2.139 212 R HA -0.112 4.228 4.340 0.000 0.000 0.243 212 R C 1.093 177.258 176.300 -0.225 0.000 1.145 212 R CA 0.654 56.618 56.100 -0.226 0.000 0.976 212 R CB -0.089 30.101 30.300 -0.183 0.000 0.866 212 R HN 0.228 nan 8.270 nan 0.000 0.449 213 L N 0.064 121.120 121.223 -0.279 0.000 2.700 213 L HA 0.091 4.431 4.340 0.000 0.000 0.234 213 L C 1.357 178.028 176.870 -0.332 0.000 1.156 213 L CA 0.344 55.031 54.840 -0.255 0.000 0.946 213 L CB 0.035 41.958 42.059 -0.227 0.000 1.216 213 L HN 0.082 nan 8.230 nan 0.000 0.493 214 L N 0.960 121.917 121.223 -0.442 0.000 1.989 214 L HA -0.135 4.206 4.340 0.000 0.000 0.211 214 L C -0.404 176.114 176.870 -0.586 0.000 1.071 214 L CA 2.274 56.743 54.840 -0.619 0.000 0.749 214 L CB -1.102 40.481 42.059 -0.794 0.000 0.890 214 L HN 0.188 nan 8.230 nan 0.000 0.431 215 P HA -0.214 nan 4.420 nan 0.000 0.215 215 P C 1.267 178.550 177.300 -0.028 0.000 1.157 215 P CA 1.756 64.752 63.100 -0.174 0.000 0.874 215 P CB -0.068 31.609 31.700 -0.039 0.000 0.790 216 K N -1.102 119.245 120.400 -0.087 0.000 2.097 216 K HA -0.086 4.234 4.320 0.000 0.000 0.205 216 K C 2.009 178.568 176.600 -0.068 0.000 1.050 216 K CA 0.884 57.142 56.287 -0.049 0.000 0.938 216 K CB -0.824 31.637 32.500 -0.066 0.000 0.718 216 K HN 0.040 nan 8.250 nan 0.000 0.442 217 L N 1.375 122.506 121.223 -0.153 0.000 1.971 217 L HA -0.225 4.115 4.340 0.000 0.000 0.215 217 L C 2.508 179.320 176.870 -0.097 0.000 1.072 217 L CA 2.076 56.806 54.840 -0.183 0.000 0.758 217 L CB -1.492 40.367 42.059 -0.332 0.000 0.889 217 L HN 0.192 nan 8.230 nan 0.000 0.433 218 A N -0.705 122.093 122.820 -0.036 0.000 1.940 218 A HA -0.207 4.113 4.320 0.000 0.000 0.219 218 A C 2.244 179.957 177.584 0.215 0.000 1.176 218 A CA 1.518 53.640 52.037 0.143 0.000 0.631 218 A CB -0.410 18.826 19.000 0.395 0.000 0.814 218 A HN 0.484 nan 8.150 nan 0.000 0.446 219 R N -1.277 119.324 120.500 0.168 0.000 2.317 219 R HA 0.215 4.555 4.340 0.000 0.000 0.208 219 R C 1.099 177.471 176.300 0.120 0.000 0.914 219 R CA 0.428 56.630 56.100 0.170 0.000 1.060 219 R CB -0.120 30.271 30.300 0.152 0.000 1.015 219 R HN 0.621 nan 8.270 nan 0.000 0.498 220 G N 1.883 110.725 108.800 0.071 0.000 2.305 220 G HA2 -0.302 3.658 3.960 0.000 0.000 0.287 220 G HA3 -0.302 3.658 3.960 0.000 0.000 0.287 220 G C 0.453 175.371 174.900 0.029 0.000 1.036 220 G CA 0.717 45.840 45.100 0.038 0.000 0.887 220 G HN 0.461 nan 8.290 nan 0.000 0.505 221 S N -1.227 114.485 115.700 0.021 0.000 2.575 221 S HA 0.513 4.984 4.470 0.000 0.000 0.237 221 S C 0.831 175.427 174.600 -0.006 0.000 0.975 221 S CA -0.512 57.698 58.200 0.017 0.000 0.960 221 S CB 0.395 63.614 63.200 0.031 0.000 0.822 221 S HN 0.501 nan 8.310 nan 0.000 0.472 222 L N 3.388 124.596 121.223 -0.024 0.000 2.453 222 L HA 0.245 4.585 4.340 0.000 0.000 0.272 222 L C 1.074 177.928 176.870 -0.026 0.000 1.182 222 L CA -0.420 54.398 54.840 -0.037 0.000 0.858 222 L CB 0.341 42.364 42.059 -0.060 0.000 1.120 222 L HN 0.384 nan 8.230 nan 0.000 0.474 223 S N 1.816 117.501 115.700 -0.026 0.000 2.624 223 S HA 0.157 4.627 4.470 0.000 0.000 0.263 223 S C 1.166 175.751 174.600 -0.024 0.000 1.287 223 S CA -0.907 57.281 58.200 -0.022 0.000 0.990 223 S CB 1.425 64.612 63.200 -0.022 0.000 0.950 223 S HN 0.347 nan 8.310 nan 0.000 0.561 224 V N 1.932 121.834 119.914 -0.021 0.000 2.287 224 V HA -0.122 3.998 4.120 0.000 0.000 0.248 224 V C 2.692 178.772 176.094 -0.023 0.000 1.053 224 V CA 2.567 64.854 62.300 -0.022 0.000 1.027 224 V CB -1.700 30.112 31.823 -0.019 0.000 0.646 224 V HN 1.077 nan 8.190 nan 0.000 0.447 225 G N -0.862 107.924 108.800 -0.024 0.000 2.418 225 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 225 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 225 G C 1.290 176.185 174.900 -0.008 0.000 1.158 225 G CA 0.972 46.058 45.100 -0.023 0.000 0.771 225 G HN 0.501 nan 8.290 nan 0.000 0.545 226 D N 0.502 120.894 120.400 -0.014 0.000 2.123 226 D HA -0.082 4.558 4.640 0.000 0.000 0.196 226 D C 2.350 178.632 176.300 -0.030 0.000 0.992 226 D CA 1.021 55.017 54.000 -0.005 0.000 0.833 226 D CB -0.134 40.647 40.800 -0.032 0.000 0.954 226 D HN 0.255 nan 8.370 nan 0.000 0.455 227 K N 0.364 120.737 120.400 -0.045 0.000 2.032 227 K HA -0.177 4.143 4.320 0.000 0.000 0.209 227 K C 1.738 178.298 176.600 -0.066 0.000 1.048 227 K CA 1.611 57.859 56.287 -0.065 0.000 0.927 227 K CB -0.086 32.385 32.500 -0.048 0.000 0.712 227 K HN -0.012 nan 8.250 nan 0.000 0.441 228 D N -0.815 119.563 120.400 -0.037 0.000 2.144 228 D HA -0.195 4.445 4.640 0.000 0.000 0.200 228 D C 1.854 178.141 176.300 -0.021 0.000 0.978 228 D CA 1.168 55.149 54.000 -0.032 0.000 0.833 228 D CB 0.029 40.818 40.800 -0.018 0.000 0.961 228 D HN 0.340 nan 8.370 nan 0.000 0.470 229 H N -0.654 118.350 119.070 -0.111 0.000 2.321 229 H HA -0.110 4.447 4.556 0.000 0.000 0.300 229 H C 1.774 177.000 175.328 -0.170 0.000 1.087 229 H CA 1.124 57.093 56.048 -0.131 0.000 1.319 229 H CB 0.088 29.774 29.762 -0.127 0.000 1.379 229 H HN 0.144 nan 8.280 nan 0.000 0.501 230 M N 0.298 119.711 119.600 -0.312 0.000 2.117 230 M HA -0.179 4.301 4.480 0.000 0.000 0.262 230 M C 2.794 178.870 176.300 -0.374 0.000 1.065 230 M CA 0.732 55.789 55.300 -0.405 0.000 1.114 230 M CB -1.351 31.064 32.600 -0.309 0.000 1.361 230 M HN 0.413 nan 8.290 nan 0.000 0.408 231 C N -0.113 119.030 119.300 -0.261 0.000 2.440 231 C HA -0.094 4.366 4.460 0.000 0.000 0.278 231 C C 2.962 177.790 174.990 -0.270 0.000 1.295 231 C CA 1.188 60.060 59.018 -0.243 0.000 1.738 231 C CB -1.008 26.657 27.740 -0.126 0.000 1.987 231 C HN 0.565 nan 8.230 nan 0.000 0.492 232 S N 0.618 116.189 115.700 -0.216 0.000 2.383 232 S HA -0.113 4.358 4.470 0.000 0.000 0.227 232 S C 1.862 176.306 174.600 -0.261 0.000 1.026 232 S CA 1.217 59.307 58.200 -0.184 0.000 0.981 232 S CB -0.331 62.812 63.200 -0.095 0.000 0.818 232 S HN 0.492 nan 8.310 nan 0.000 0.472 233 V N 2.034 121.729 119.914 -0.366 0.000 2.307 233 V HA -0.179 3.941 4.120 0.000 0.000 0.245 233 V C 2.316 178.129 176.094 -0.467 0.000 1.045 233 V CA 1.639 63.697 62.300 -0.403 0.000 1.024 233 V CB -0.532 30.971 31.823 -0.532 0.000 0.651 233 V HN 0.403 nan 8.190 nan 0.000 0.449 234 K N 0.032 120.046 120.400 -0.644 0.000 2.009 234 K HA -0.203 4.117 4.320 0.000 0.000 0.210 234 K C 2.509 178.401 176.600 -1.180 0.000 1.049 234 K CA 1.784 57.392 56.287 -1.132 0.000 0.929 234 K CB -0.527 31.097 32.500 -1.459 0.000 0.714 234 K HN 0.388 nan 8.250 nan 0.000 0.440 235 S N 0.793 116.076 115.700 -0.696 0.000 2.380 235 S HA -0.243 4.227 4.470 0.000 0.000 0.229 235 S C 2.080 176.606 174.600 -0.123 0.000 1.043 235 S CA 1.650 59.707 58.200 -0.238 0.000 1.038 235 S CB -0.139 62.992 63.200 -0.116 0.000 0.872 235 S HN 0.272 nan 8.310 nan 0.000 0.456 236 R N -0.018 120.376 120.500 -0.178 0.000 2.066 236 R HA 0.077 4.417 4.340 0.000 0.000 0.232 236 R C 2.452 178.712 176.300 -0.066 0.000 1.131 236 R CA 1.490 57.533 56.100 -0.094 0.000 0.955 236 R CB -0.375 29.862 30.300 -0.104 0.000 0.851 236 R HN 0.456 nan 8.270 nan 0.000 0.432 237 L N -0.569 120.561 121.223 -0.155 0.000 2.083 237 L HA -0.196 4.145 4.340 0.000 0.000 0.209 237 L C 2.179 179.123 176.870 0.124 0.000 1.083 237 L CA 0.866 55.666 54.840 -0.066 0.000 0.752 237 L CB -0.433 41.554 42.059 -0.120 0.000 0.899 237 L HN 0.367 nan 8.230 nan 0.000 0.433 238 W N 0.417 121.738 121.300 0.036 0.000 2.425 238 W HA -0.144 4.516 4.660 0.000 0.000 0.277 238 W C 2.579 179.127 176.519 0.049 0.000 1.231 238 W CA 0.846 58.221 57.345 0.050 0.000 1.248 238 W CB -0.546 28.937 29.460 0.039 0.000 1.117 238 W HN 0.184 nan 8.180 nan 0.000 0.568 239 K N 0.261 120.808 120.400 0.245 0.000 2.098 239 K HA -0.055 4.265 4.320 0.000 0.000 0.203 239 K C 2.114 178.799 176.600 0.141 0.000 1.051 239 K CA 0.774 57.158 56.287 0.161 0.000 0.957 239 K CB -0.412 32.154 32.500 0.110 0.000 0.738 239 K HN -0.011 nan 8.250 nan 0.000 0.447 240 L N 0.515 121.815 121.223 0.129 0.000 2.042 240 L HA -0.157 4.183 4.340 0.000 0.000 0.210 240 L C 1.181 178.166 176.870 0.192 0.000 1.076 240 L CA 0.852 55.781 54.840 0.148 0.000 0.749 240 L CB -0.120 41.989 42.059 0.084 0.000 0.893 240 L HN 0.156 nan 8.230 nan 0.000 0.432 241 L N -0.222 121.116 121.223 0.191 0.000 2.912 241 L HA 0.132 4.472 4.340 0.000 0.000 0.240 241 L C 0.854 177.858 176.870 0.223 0.000 1.262 241 L CA 0.043 55.021 54.840 0.230 0.000 1.058 241 L CB -0.370 41.819 42.059 0.216 0.000 1.383 241 L HN 0.094 nan 8.230 nan 0.000 0.512 242 S N -1.933 113.875 115.700 0.179 0.000 2.564 242 S HA 0.267 4.737 4.470 0.000 0.000 0.278 242 S C -1.585 173.085 174.600 0.116 0.000 1.333 242 S CA -0.966 57.313 58.200 0.132 0.000 1.048 242 S CB 0.779 64.042 63.200 0.105 0.000 0.900 242 S HN 0.021 nan 8.310 nan 0.000 0.505 243 P HA -0.183 nan 4.420 nan 0.000 0.216 243 P C 1.621 178.952 177.300 0.051 0.000 1.154 243 P CA 2.113 65.248 63.100 0.058 0.000 0.865 243 P CB -0.213 31.497 31.700 0.016 0.000 0.789 244 A N -0.425 122.422 122.820 0.045 0.000 1.940 244 A HA -0.229 4.091 4.320 0.000 0.000 0.219 244 A C 2.248 179.859 177.584 0.046 0.000 1.176 244 A CA 1.529 53.589 52.037 0.037 0.000 0.631 244 A CB -0.812 18.206 19.000 0.031 0.000 0.814 244 A HN 0.051 nan 8.150 nan 0.000 0.446 245 R N -0.572 119.967 120.500 0.066 0.000 2.093 245 R HA 0.099 4.439 4.340 0.000 0.000 0.224 245 R C 2.004 178.348 176.300 0.072 0.000 1.101 245 R CA 0.936 57.074 56.100 0.064 0.000 0.979 245 R CB -0.748 29.602 30.300 0.084 0.000 0.877 245 R HN 0.561 nan 8.270 nan 0.000 0.441 246 L N 0.508 121.796 121.223 0.108 0.000 2.275 246 L HA -0.030 4.311 4.340 0.000 0.000 0.215 246 L C 2.452 179.367 176.870 0.076 0.000 1.119 246 L CA 0.807 55.721 54.840 0.124 0.000 0.790 246 L CB -0.533 41.634 42.059 0.180 0.000 0.919 246 L HN 0.124 nan 8.230 nan 0.000 0.443 247 A N 1.211 124.063 122.820 0.053 0.000 2.067 247 A HA -0.182 4.139 4.320 0.000 0.000 0.219 247 A C 2.295 179.895 177.584 0.026 0.000 1.158 247 A CA 1.384 53.441 52.037 0.032 0.000 0.661 247 A CB -0.429 18.584 19.000 0.022 0.000 0.801 247 A HN 0.567 nan 8.150 nan 0.000 0.452 248 R N -0.625 119.891 120.500 0.026 0.000 2.300 248 R HA 0.155 4.496 4.340 0.000 0.000 0.199 248 R C 0.326 176.638 176.300 0.020 0.000 0.920 248 R CA -0.290 55.821 56.100 0.018 0.000 1.046 248 R CB -0.047 30.259 30.300 0.010 0.000 0.984 248 R HN 0.298 nan 8.270 nan 0.000 0.493 249 R N 1.020 121.538 120.500 0.030 0.000 2.539 249 R HA 0.398 4.738 4.340 0.000 0.000 0.275 249 R C -0.421 175.905 176.300 0.042 0.000 1.077 249 R CA 0.003 56.124 56.100 0.034 0.000 1.097 249 R CB 1.242 31.570 30.300 0.045 0.000 1.018 249 R HN 0.191 nan 8.270 nan 0.000 0.483 250 A N 0.562 123.412 122.820 0.051 0.000 2.282 250 A HA 0.253 4.573 4.320 0.000 0.000 0.319 250 A C -0.001 177.664 177.584 0.136 0.000 1.121 250 A CA -0.407 51.673 52.037 0.072 0.000 0.836 250 A CB 0.221 19.258 19.000 0.061 0.000 1.146 250 A HN 1.096 nan 8.150 nan 0.000 0.494 251 H N -0.627 118.445 119.070 0.002 0.000 2.770 251 H HA -0.150 4.407 4.556 0.000 0.000 0.309 251 H C -0.064 175.261 175.328 -0.005 0.000 1.206 251 H CA 0.375 56.423 56.048 -0.000 0.000 1.147 251 H CB -0.800 28.963 29.762 0.002 0.000 1.422 251 H HN 0.765 nan 8.280 nan 0.000 0.420 252 R N 0.827 121.406 120.500 0.131 0.000 2.641 252 R HA 0.202 4.542 4.340 0.000 0.000 0.269 252 R C 0.654 176.987 176.300 0.056 0.000 1.074 252 R CA 0.302 56.432 56.100 0.050 0.000 1.133 252 R CB 0.748 31.069 30.300 0.036 0.000 1.029 252 R HN 0.358 nan 8.270 nan 0.000 0.488 253 S N 0.791 116.497 115.700 0.010 0.000 2.601 253 S HA 0.084 4.554 4.470 0.000 0.000 0.271 253 S C 0.932 175.561 174.600 0.049 0.000 1.305 253 S CA -0.799 57.415 58.200 0.024 0.000 1.022 253 S CB 1.625 64.827 63.200 0.002 0.000 0.940 253 S HN 0.678 nan 8.310 nan 0.000 0.525 254 K N 1.275 121.705 120.400 0.050 0.000 2.147 254 K HA -0.102 4.218 4.320 0.000 0.000 0.205 254 K C 1.668 178.288 176.600 0.034 0.000 1.049 254 K CA 1.558 57.865 56.287 0.033 0.000 0.936 254 K CB -0.693 31.826 32.500 0.032 0.000 0.722 254 K HN 0.851 nan 8.250 nan 0.000 0.446 255 W N 0.576 121.803 121.300 -0.122 0.000 2.302 255 W HA -0.287 4.373 4.660 0.000 0.000 0.320 255 W C 1.619 178.070 176.519 -0.114 0.000 1.241 255 W CA 2.022 59.281 57.345 -0.144 0.000 1.264 255 W CB -0.624 28.698 29.460 -0.230 0.000 1.154 255 W HN 0.235 nan 8.180 nan 0.000 0.483 256 L N 1.276 122.410 121.223 -0.150 0.000 2.027 256 L HA -0.114 4.226 4.340 0.000 0.000 0.206 256 L C 2.316 179.033 176.870 -0.256 0.000 1.074 256 L CA 2.451 57.039 54.840 -0.420 0.000 0.745 256 L CB -1.274 40.686 42.059 -0.165 0.000 0.898 256 L HN 0.140 nan 8.230 nan 0.000 0.433 257 E N -0.485 119.640 120.200 -0.125 0.000 2.051 257 E HA -0.201 4.149 4.350 0.000 0.000 0.192 257 E C 2.155 178.699 176.600 -0.093 0.000 0.991 257 E CA 1.597 57.948 56.400 -0.083 0.000 0.799 257 E CB -0.255 29.423 29.700 -0.038 0.000 0.748 257 E HN 0.719 nan 8.360 nan 0.000 0.449 258 S N 0.264 115.908 115.700 -0.094 0.000 2.402 258 S HA -0.198 4.273 4.470 0.000 0.000 0.229 258 S C 2.012 176.562 174.600 -0.083 0.000 1.021 258 S CA 0.741 58.895 58.200 -0.077 0.000 0.974 258 S CB -0.472 62.693 63.200 -0.059 0.000 0.800 258 S HN 0.331 nan 8.310 nan 0.000 0.484 259 Y N 2.059 122.159 120.300 -0.333 0.000 2.163 259 Y HA 0.022 4.572 4.550 0.000 0.000 0.288 259 Y C 2.051 177.832 175.900 -0.197 0.000 1.136 259 Y CA 0.889 58.784 58.100 -0.342 0.000 1.147 259 Y CB -0.633 37.417 38.460 -0.682 0.000 0.987 259 Y HN 0.163 nan 8.280 nan 0.000 0.509 260 L N 0.095 121.171 121.223 -0.244 0.000 1.990 260 L HA -0.280 4.060 4.340 0.000 0.000 0.213 260 L C 2.504 179.242 176.870 -0.220 0.000 1.072 260 L CA 1.728 56.422 54.840 -0.242 0.000 0.755 260 L CB -1.602 40.378 42.059 -0.132 0.000 0.889 260 L HN 0.322 nan 8.230 nan 0.000 0.432 261 L N -1.524 119.612 121.223 -0.145 0.000 2.043 261 L HA -0.302 4.038 4.340 0.000 0.000 0.212 261 L C 2.633 179.436 176.870 -0.111 0.000 1.075 261 L CA 1.580 56.356 54.840 -0.106 0.000 0.752 261 L CB -0.659 41.363 42.059 -0.062 0.000 0.891 261 L HN 0.415 nan 8.230 nan 0.000 0.432 262 H N 0.125 119.063 119.070 -0.219 0.000 2.352 262 H HA -0.173 4.383 4.556 0.000 0.000 0.299 262 H C 2.068 177.227 175.328 -0.282 0.000 1.097 262 H CA 1.811 57.724 56.048 -0.225 0.000 1.311 262 H CB -0.107 29.521 29.762 -0.224 0.000 1.377 262 H HN 0.197 nan 8.280 nan 0.000 0.504 263 L N 0.114 120.996 121.223 -0.569 0.000 2.027 263 L HA -0.117 4.223 4.340 0.000 0.000 0.206 263 L C 2.700 179.358 176.870 -0.352 0.000 1.074 263 L CA 1.759 56.263 54.840 -0.560 0.000 0.745 263 L CB -0.651 41.088 42.059 -0.534 0.000 0.898 263 L HN 0.458 nan 8.230 nan 0.000 0.433 264 E N 0.551 120.596 120.200 -0.258 0.000 2.097 264 E HA -0.303 4.047 4.350 0.000 0.000 0.196 264 E C 2.093 178.600 176.600 -0.156 0.000 1.000 264 E CA 1.399 57.696 56.400 -0.173 0.000 0.804 264 E CB -0.039 29.583 29.700 -0.129 0.000 0.740 264 E HN 0.361 nan 8.360 nan 0.000 0.454 265 E N 0.372 120.472 120.200 -0.167 0.000 2.130 265 E HA -0.196 4.154 4.350 0.000 0.000 0.196 265 E C 1.946 178.464 176.600 -0.136 0.000 0.998 265 E CA 1.346 57.670 56.400 -0.126 0.000 0.806 265 E CB -0.144 29.497 29.700 -0.098 0.000 0.738 265 E HN 0.441 nan 8.360 nan 0.000 0.459 266 M N -1.161 118.311 119.600 -0.212 0.000 2.618 266 M HA 0.057 4.538 4.480 0.000 0.000 0.240 266 M C 1.148 177.371 176.300 -0.127 0.000 1.123 266 M CA 0.783 55.979 55.300 -0.173 0.000 1.060 266 M CB 0.394 32.843 32.600 -0.251 0.000 1.535 266 M HN 0.210 nan 8.290 nan 0.000 0.507 267 G N 1.317 110.040 108.800 -0.128 0.000 2.160 267 G HA2 -0.198 3.762 3.960 0.000 0.000 0.244 267 G HA3 -0.198 3.762 3.960 0.000 0.000 0.244 267 G C -0.068 174.768 174.900 -0.106 0.000 1.022 267 G CA -0.215 44.826 45.100 -0.099 0.000 0.741 267 G HN 0.333 nan 8.290 nan 0.000 0.508 268 V N 1.661 121.489 119.914 -0.142 0.000 2.521 268 V HA 0.469 4.589 4.120 0.000 0.000 0.286 268 V C 1.443 177.464 176.094 -0.122 0.000 1.034 268 V CA 0.078 62.293 62.300 -0.141 0.000 1.045 268 V CB 1.016 32.724 31.823 -0.190 0.000 0.974 268 V HN 1.053 nan 8.190 nan 0.000 0.480 269 S N 3.451 119.090 115.700 -0.102 0.000 2.580 269 S HA 0.085 4.555 4.470 0.000 0.000 0.266 269 S C 0.934 175.478 174.600 -0.093 0.000 1.354 269 S CA -0.125 58.023 58.200 -0.087 0.000 1.008 269 S CB 0.531 63.685 63.200 -0.077 0.000 0.898 269 S HN 0.757 nan 8.310 nan 0.000 0.555 270 E N 0.945 121.102 120.200 -0.072 0.000 2.153 270 E HA -0.171 4.179 4.350 0.000 0.000 0.194 270 E C 1.652 178.213 176.600 -0.065 0.000 0.988 270 E CA 1.505 57.870 56.400 -0.059 0.000 0.811 270 E CB -0.144 29.536 29.700 -0.034 0.000 0.746 270 E HN 0.757 nan 8.360 nan 0.000 0.466 271 E N -0.050 120.100 120.200 -0.082 0.000 2.285 271 E HA -0.094 4.256 4.350 0.000 0.000 0.194 271 E C 1.597 178.066 176.600 -0.219 0.000 0.997 271 E CA 0.552 56.882 56.400 -0.118 0.000 0.845 271 E CB 0.092 29.733 29.700 -0.098 0.000 0.782 271 E HN 0.095 nan 8.360 nan 0.000 0.491 272 M N -0.073 119.415 119.600 -0.187 0.000 2.435 272 M HA 0.025 4.506 4.480 0.000 0.000 0.265 272 M C 1.566 177.768 176.300 -0.163 0.000 1.104 272 M CA 1.268 56.440 55.300 -0.213 0.000 1.140 272 M CB 0.264 32.764 32.600 -0.166 0.000 1.372 272 M HN -0.065 nan 8.290 nan 0.000 0.456 273 Q N -0.287 119.436 119.800 -0.129 0.000 2.096 273 Q HA -0.167 4.174 4.340 0.000 0.000 0.204 273 Q C 2.072 178.061 176.000 -0.019 0.000 0.982 273 Q CA 1.975 57.721 55.803 -0.095 0.000 0.850 273 Q CB -0.411 28.270 28.738 -0.095 0.000 0.901 273 Q HN 0.678 nan 8.270 nan 0.000 0.422 274 A N 1.150 123.954 122.820 -0.026 0.000 1.902 274 A HA -0.213 4.107 4.320 0.000 0.000 0.217 274 A C 1.978 179.592 177.584 0.050 0.000 1.181 274 A CA 1.368 53.437 52.037 0.054 0.000 0.623 274 A CB -0.435 18.597 19.000 0.053 0.000 0.818 274 A HN 0.228 nan 8.150 nan 0.000 0.443 275 R N -0.596 119.762 120.500 -0.237 0.000 2.091 275 R HA -0.137 4.203 4.340 0.000 0.000 0.238 275 R C 2.428 178.780 176.300 0.087 0.000 1.136 275 R CA 1.328 57.272 56.100 -0.260 0.000 0.959 275 R CB -0.484 29.488 30.300 -0.547 0.000 0.856 275 R HN 0.526 nan 8.270 nan 0.000 0.437 276 A N 0.985 123.843 122.820 0.063 0.000 1.969 276 A HA -0.065 4.255 4.320 0.000 0.000 0.218 276 A C 2.140 179.881 177.584 0.261 0.000 1.169 276 A CA 0.943 53.074 52.037 0.156 0.000 0.635 276 A CB -0.327 18.758 19.000 0.141 0.000 0.810 276 A HN 0.164 nan 8.150 nan 0.000 0.445 277 L N -0.720 120.677 121.223 0.291 0.000 2.217 277 L HA -0.091 4.249 4.340 0.000 0.000 0.211 277 L C 2.311 179.421 176.870 0.399 0.000 1.107 277 L CA 0.526 55.606 54.840 0.400 0.000 0.783 277 L CB -0.316 42.003 42.059 0.433 0.000 0.919 277 L HN 0.218 nan 8.230 nan 0.000 0.442 278 V N -0.136 119.986 119.914 0.346 0.000 2.488 278 V HA -0.224 3.896 4.120 0.000 0.000 0.246 278 V C 2.327 178.570 176.094 0.249 0.000 1.046 278 V CA 1.288 63.806 62.300 0.362 0.000 1.053 278 V CB -0.208 31.924 31.823 0.515 0.000 0.679 278 V HN 0.344 nan 8.190 nan 0.000 0.458 279 L N 0.317 121.546 121.223 0.011 0.000 1.989 279 L HA -0.212 4.128 4.340 0.000 0.000 0.211 279 L C 2.466 179.284 176.870 -0.087 0.000 1.071 279 L CA 2.063 56.572 54.840 -0.552 0.000 0.749 279 L CB -0.838 40.972 42.059 -0.415 0.000 0.890 279 L HN 0.218 nan 8.230 nan 0.000 0.431 280 Q N -0.393 119.473 119.800 0.111 0.000 2.181 280 Q HA -0.194 4.147 4.340 0.000 0.000 0.205 280 Q C 2.304 178.469 176.000 0.274 0.000 0.980 280 Q CA 1.858 57.790 55.803 0.215 0.000 0.862 280 Q CB -0.819 28.097 28.738 0.298 0.000 0.905 280 Q HN 0.557 nan 8.270 nan 0.000 0.429 281 L N -0.416 121.002 121.223 0.325 0.000 2.046 281 L HA -0.155 4.185 4.340 0.000 0.000 0.208 281 L C 2.053 178.983 176.870 0.099 0.000 1.077 281 L CA 1.815 56.774 54.840 0.199 0.000 0.747 281 L CB -0.698 41.403 42.059 0.071 0.000 0.896 281 L HN 0.358 nan 8.230 nan 0.000 0.432 282 W N 0.216 121.594 121.300 0.129 0.000 2.381 282 W HA -0.141 4.519 4.660 0.000 0.000 0.301 282 W C 2.273 178.891 176.519 0.166 0.000 1.205 282 W CA 2.181 59.703 57.345 0.294 0.000 1.285 282 W CB -0.502 29.270 29.460 0.519 0.000 1.133 282 W HN 0.209 nan 8.180 nan 0.000 0.521 283 A N -0.194 122.519 122.820 -0.179 0.000 1.969 283 A HA -0.164 4.156 4.320 0.000 0.000 0.218 283 A C 1.968 179.354 177.584 -0.331 0.000 1.169 283 A CA 2.580 54.338 52.037 -0.466 0.000 0.635 283 A CB -1.421 17.509 19.000 -0.116 0.000 0.810 283 A HN 0.442 nan 8.150 nan 0.000 0.445 284 T N -4.877 109.560 114.554 -0.195 0.000 3.037 284 T HA 0.093 4.443 4.350 0.000 0.000 0.252 284 T C 1.447 176.061 174.700 -0.144 0.000 1.073 284 T CA 0.781 62.770 62.100 -0.186 0.000 1.091 284 T CB 0.170 68.862 68.868 -0.293 0.000 0.935 284 T HN 0.326 nan 8.240 nan 0.000 0.488 285 Q N 0.279 119.986 119.800 -0.155 0.000 2.280 285 Q HA 0.365 4.705 4.340 0.000 0.000 0.244 285 Q C 2.171 178.160 176.000 -0.018 0.000 0.847 285 Q CA 0.650 56.386 55.803 -0.112 0.000 0.945 285 Q CB 0.091 28.717 28.738 -0.188 0.000 1.115 285 Q HN 0.603 nan 8.270 nan 0.000 0.513 286 G N 1.092 109.855 108.800 -0.062 0.000 2.776 286 G HA2 -0.146 3.814 3.960 0.000 0.000 0.209 286 G HA3 -0.146 3.814 3.960 0.000 0.000 0.209 286 G C 1.119 176.016 174.900 -0.005 0.000 1.145 286 G CA 0.361 45.554 45.100 0.154 0.000 0.791 286 G HN 0.164 nan 8.290 nan 0.000 0.530 287 N N -0.577 118.049 118.700 -0.123 0.000 2.503 287 N HA 0.155 4.896 4.740 0.000 0.000 0.210 287 N C 2.169 177.595 175.510 -0.140 0.000 1.077 287 N CA -0.036 52.938 53.050 -0.126 0.000 0.855 287 N CB -0.067 38.351 38.487 -0.114 0.000 1.323 287 N HN 0.171 nan 8.380 nan 0.000 0.452 288 M N 0.593 120.114 119.600 -0.132 0.000 2.086 288 M HA -0.039 4.441 4.480 0.000 0.000 0.261 288 M C 2.129 178.333 176.300 -0.160 0.000 1.067 288 M CA 1.850 57.082 55.300 -0.113 0.000 1.116 288 M CB -0.626 31.896 32.600 -0.130 0.000 1.348 288 M HN 0.152 nan 8.290 nan 0.000 0.407 289 G N 0.927 109.561 108.800 -0.278 0.000 2.514 289 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 289 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 289 G C -1.084 173.617 174.900 -0.330 0.000 1.198 289 G CA 0.725 45.607 45.100 -0.364 0.000 0.780 289 G HN 0.326 nan 8.290 nan 0.000 0.565 290 P HA -0.063 nan 4.420 nan 0.000 0.216 290 P C 2.187 179.568 177.300 0.135 0.000 1.150 290 P CA 2.027 65.017 63.100 -0.182 0.000 0.837 290 P CB -0.169 31.438 31.700 -0.156 0.000 0.786 291 A N 0.155 123.037 122.820 0.103 0.000 1.858 291 A HA -0.150 4.170 4.320 0.000 0.000 0.216 291 A C 2.356 180.066 177.584 0.209 0.000 1.190 291 A CA 2.311 54.465 52.037 0.194 0.000 0.617 291 A CB -1.668 17.377 19.000 0.075 0.000 0.827 291 A HN 0.198 nan 8.150 nan 0.000 0.443 292 A N -1.180 121.729 122.820 0.149 0.000 1.972 292 A HA -0.032 4.288 4.320 0.000 0.000 0.219 292 A C 2.021 179.726 177.584 0.202 0.000 1.169 292 A CA 1.623 53.789 52.037 0.215 0.000 0.635 292 A CB -0.738 18.427 19.000 0.276 0.000 0.810 292 A HN 0.826 nan 8.150 nan 0.000 0.446 293 F N -0.717 119.226 119.950 -0.011 0.000 2.095 293 F HA -0.193 4.335 4.527 0.000 0.000 0.298 293 F C 1.936 177.593 175.800 -0.238 0.000 1.104 293 F CA 1.736 59.646 58.000 -0.151 0.000 1.232 293 F CB -0.608 38.176 39.000 -0.361 0.000 0.987 293 F HN 0.377 nan 8.300 nan 0.000 0.475 294 W N 0.467 121.534 121.300 -0.389 0.000 2.381 294 W HA -0.100 4.560 4.660 0.000 0.000 0.301 294 W C 2.500 178.656 176.519 -0.606 0.000 1.205 294 W CA 1.094 58.023 57.345 -0.693 0.000 1.285 294 W CB -0.641 28.684 29.460 -0.226 0.000 1.133 294 W HN 0.114 nan 8.180 nan 0.000 0.521 295 L N 0.197 121.465 121.223 0.074 0.000 1.989 295 L HA -0.244 4.096 4.340 0.000 0.000 0.211 295 L C 2.246 179.109 176.870 -0.013 0.000 1.071 295 L CA 1.596 56.522 54.840 0.142 0.000 0.749 295 L CB -0.604 41.581 42.059 0.209 0.000 0.890 295 L HN 0.026 nan 8.230 nan 0.000 0.431 296 L N -0.833 120.356 121.223 -0.057 0.000 2.046 296 L HA -0.245 4.095 4.340 0.000 0.000 0.208 296 L C 2.550 179.301 176.870 -0.198 0.000 1.077 296 L CA 0.951 55.744 54.840 -0.079 0.000 0.747 296 L CB -0.532 41.524 42.059 -0.005 0.000 0.896 296 L HN 0.365 nan 8.230 nan 0.000 0.432 297 L N -0.698 120.276 121.223 -0.414 0.000 2.017 297 L HA -0.207 4.133 4.340 0.000 0.000 0.208 297 L C 2.318 178.977 176.870 -0.351 0.000 1.073 297 L CA 1.858 56.408 54.840 -0.483 0.000 0.745 297 L CB -0.583 40.955 42.059 -0.868 0.000 0.894 297 L HN -0.007 nan 8.230 nan 0.000 0.432 298 F N -0.484 119.247 119.950 -0.365 0.000 2.171 298 F HA -0.185 4.343 4.527 0.000 0.000 0.300 298 F C 2.302 177.826 175.800 -0.459 0.000 1.090 298 F CA 1.276 58.898 58.000 -0.629 0.000 1.293 298 F CB -0.961 37.167 39.000 -1.454 0.000 1.013 298 F HN 0.043 nan 8.300 nan 0.000 0.486 299 L N -1.189 119.970 121.223 -0.106 0.000 2.056 299 L HA -0.203 4.137 4.340 0.000 0.000 0.207 299 L C 2.349 179.215 176.870 -0.007 0.000 1.078 299 L CA 0.509 55.351 54.840 0.004 0.000 0.749 299 L CB -0.679 41.395 42.059 0.025 0.000 0.901 299 L HN 0.101 nan 8.230 nan 0.000 0.433 300 L N -0.042 121.152 121.223 -0.048 0.000 2.131 300 L HA -0.160 4.180 4.340 0.000 0.000 0.210 300 L C 2.359 179.219 176.870 -0.017 0.000 1.092 300 L CA 1.652 56.467 54.840 -0.042 0.000 0.759 300 L CB -0.878 41.135 42.059 -0.076 0.000 0.903 300 L HN 0.191 nan 8.230 nan 0.000 0.435 301 K N -0.551 119.846 120.400 -0.004 0.000 2.400 301 K HA 0.152 4.472 4.320 0.000 0.000 0.194 301 K C 0.122 176.771 176.600 0.081 0.000 1.033 301 K CA 0.170 56.481 56.287 0.039 0.000 1.021 301 K CB 0.135 32.672 32.500 0.062 0.000 0.808 301 K HN 0.324 nan 8.250 nan 0.000 0.505 302 N N 1.270 120.028 118.700 0.095 0.000 2.762 302 N HA 0.150 4.890 4.740 0.000 0.000 0.252 302 N C -2.386 173.170 175.510 0.077 0.000 1.269 302 N CA -1.228 51.905 53.050 0.138 0.000 0.799 302 N CB 1.847 40.508 38.487 0.291 0.000 1.173 302 N HN -0.207 nan 8.380 nan 0.000 0.516 303 P HA -0.234 nan 4.420 nan 0.000 0.216 303 P C 1.376 178.664 177.300 -0.019 0.000 1.154 303 P CA 1.391 64.499 63.100 0.012 0.000 0.865 303 P CB 0.520 32.230 31.700 0.018 0.000 0.789 304 E N -0.334 119.856 120.200 -0.017 0.000 2.106 304 E HA -0.171 4.179 4.350 0.000 0.000 0.192 304 E C 1.902 178.326 176.600 -0.294 0.000 0.984 304 E CA 1.319 57.677 56.400 -0.070 0.000 0.806 304 E CB -0.742 28.973 29.700 0.025 0.000 0.750 304 E HN 0.095 nan 8.360 nan 0.000 0.458 305 A N 1.497 124.123 122.820 -0.324 0.000 1.877 305 A HA -0.122 4.199 4.320 0.000 0.000 0.216 305 A C 2.302 179.714 177.584 -0.286 0.000 1.186 305 A CA 1.225 52.909 52.037 -0.588 0.000 0.620 305 A CB -0.799 18.229 19.000 0.048 0.000 0.822 305 A HN 0.432 nan 8.150 nan 0.000 0.443 306 L N -0.752 120.412 121.223 -0.098 0.000 2.046 306 L HA -0.188 4.152 4.340 0.000 0.000 0.208 306 L C 2.973 179.804 176.870 -0.064 0.000 1.077 306 L CA 1.383 56.195 54.840 -0.046 0.000 0.747 306 L CB -0.480 41.569 42.059 -0.017 0.000 0.896 306 L HN 0.451 nan 8.230 nan 0.000 0.432 307 A N -0.280 122.492 122.820 -0.080 0.000 1.908 307 A HA -0.222 4.099 4.320 0.000 0.000 0.218 307 A C 2.407 179.957 177.584 -0.057 0.000 1.181 307 A CA 1.809 53.813 52.037 -0.055 0.000 0.627 307 A CB -0.744 18.230 19.000 -0.044 0.000 0.818 307 A HN 0.543 nan 8.150 nan 0.000 0.445 308 A N -0.738 122.008 122.820 -0.123 0.000 1.930 308 A HA 0.062 4.382 4.320 0.000 0.000 0.217 308 A C 2.233 179.813 177.584 -0.006 0.000 1.175 308 A CA 1.668 53.661 52.037 -0.073 0.000 0.627 308 A CB -0.810 18.092 19.000 -0.164 0.000 0.815 308 A HN 0.361 nan 8.150 nan 0.000 0.443 309 V N 0.428 120.330 119.914 -0.020 0.000 2.270 309 V HA -0.275 3.846 4.120 0.000 0.000 0.245 309 V C 2.628 178.752 176.094 0.049 0.000 1.043 309 V CA 2.172 64.502 62.300 0.049 0.000 1.014 309 V CB -0.871 30.991 31.823 0.065 0.000 0.645 309 V HN 0.545 nan 8.190 nan 0.000 0.447 310 R N 0.388 120.900 120.500 0.020 0.000 2.103 310 R HA -0.165 4.175 4.340 0.000 0.000 0.242 310 R C 2.464 178.791 176.300 0.044 0.000 1.142 310 R CA 1.685 57.797 56.100 0.020 0.000 0.960 310 R CB -1.081 29.221 30.300 0.004 0.000 0.858 310 R HN 0.591 nan 8.270 nan 0.000 0.439 311 G N 1.218 110.041 108.800 0.039 0.000 2.421 311 G HA2 -0.331 3.629 3.960 0.000 0.000 0.216 311 G HA3 -0.331 3.629 3.960 0.000 0.000 0.216 311 G C 1.324 176.269 174.900 0.074 0.000 1.171 311 G CA 0.836 45.964 45.100 0.048 0.000 0.775 311 G HN 0.456 nan 8.290 nan 0.000 0.543 312 E N 0.111 120.361 120.200 0.083 0.000 2.051 312 E HA -0.078 4.272 4.350 0.000 0.000 0.192 312 E C 2.519 179.195 176.600 0.127 0.000 0.991 312 E CA 0.700 57.161 56.400 0.102 0.000 0.799 312 E CB -0.249 29.517 29.700 0.109 0.000 0.748 312 E HN 0.447 nan 8.360 nan 0.000 0.449 313 L N 0.503 121.809 121.223 0.139 0.000 2.141 313 L HA -0.142 4.198 4.340 0.000 0.000 0.209 313 L C 2.593 179.581 176.870 0.196 0.000 1.094 313 L CA 1.044 56.000 54.840 0.192 0.000 0.763 313 L CB -0.303 41.867 42.059 0.185 0.000 0.908 313 L HN 0.173 nan 8.230 nan 0.000 0.437 314 E N 0.147 120.446 120.200 0.165 0.000 2.046 314 E HA -0.129 4.221 4.350 0.000 0.000 0.190 314 E C 2.316 179.114 176.600 0.330 0.000 0.982 314 E CA 1.274 57.818 56.400 0.241 0.000 0.800 314 E CB 0.002 29.823 29.700 0.202 0.000 0.756 314 E HN 0.191 nan 8.360 nan 0.000 0.449 315 S N -0.018 115.809 115.700 0.212 0.000 2.383 315 S HA -0.157 4.313 4.470 0.000 0.000 0.229 315 S C 1.951 176.672 174.600 0.202 0.000 1.030 315 S CA 1.243 59.555 58.200 0.187 0.000 1.002 315 S CB -0.309 62.956 63.200 0.109 0.000 0.829 315 S HN 0.266 nan 8.310 nan 0.000 0.467 316 I N 1.005 121.681 120.570 0.176 0.000 2.202 316 I HA -0.127 4.043 4.170 0.000 0.000 0.242 316 I C 2.275 178.482 176.117 0.149 0.000 1.091 316 I CA 0.904 62.291 61.300 0.144 0.000 1.368 316 I CB -0.257 37.818 38.000 0.124 0.000 1.058 316 I HN 0.250 nan 8.210 nan 0.000 0.410 317 L N -0.489 120.844 121.223 0.183 0.000 2.079 317 L HA -0.228 4.113 4.340 0.000 0.000 0.210 317 L C 2.011 178.858 176.870 -0.039 0.000 1.081 317 L CA 1.986 56.880 54.840 0.090 0.000 0.752 317 L CB -0.301 41.795 42.059 0.062 0.000 0.896 317 L HN 0.397 nan 8.230 nan 0.000 0.433 318 W N -0.119 121.211 121.300 0.051 0.000 2.905 318 W HA 0.071 4.731 4.660 0.000 0.000 0.251 318 W C 0.901 177.438 176.519 0.030 0.000 1.305 318 W CA -0.291 57.074 57.345 0.034 0.000 1.465 318 W CB 0.188 29.664 29.460 0.026 0.000 1.122 318 W HN 0.250 nan 8.180 nan 0.000 0.659 329 T N 1.770 116.368 114.554 0.074 0.000 2.927 329 T HA 0.735 5.085 4.350 0.000 0.000 0.281 329 T C 0.029 174.585 174.700 -0.239 0.000 0.998 329 T CA -1.191 60.889 62.100 -0.033 0.000 1.019 329 T CB 1.567 70.397 68.868 -0.062 0.000 1.061 329 T HN 0.703 nan 8.240 nan 0.000 0.518 330 L N 2.813 123.678 121.223 -0.596 0.000 2.275 330 L HA 0.413 4.753 4.340 0.000 0.000 0.288 330 L C -2.145 174.452 176.870 -0.456 0.000 1.046 330 L CA -2.245 52.100 54.840 -0.825 0.000 0.805 330 L CB 0.938 42.234 42.059 -1.272 0.000 1.193 330 L HN 0.588 nan 8.230 nan 0.000 0.426 331 P HA -0.033 nan 4.420 nan 0.000 0.256 331 P C 0.398 177.565 177.300 -0.222 0.000 1.173 331 P CA 0.054 63.019 63.100 -0.226 0.000 0.768 331 P CB 0.467 32.067 31.700 -0.167 0.000 0.758 332 Q N 2.720 122.429 119.800 -0.152 0.000 2.308 332 Q HA -0.188 4.152 4.340 0.000 0.000 0.209 332 Q C 1.505 177.452 176.000 -0.090 0.000 0.985 332 Q CA 1.568 57.299 55.803 -0.119 0.000 0.881 332 Q CB -0.029 28.664 28.738 -0.075 0.000 0.917 332 Q HN 0.530 nan 8.270 nan 0.000 0.443 333 K N -0.547 119.810 120.400 -0.072 0.000 2.148 333 K HA -0.071 4.249 4.320 0.000 0.000 0.204 333 K C 2.033 178.615 176.600 -0.031 0.000 1.050 333 K CA 0.836 57.104 56.287 -0.032 0.000 0.942 333 K CB 0.107 32.605 32.500 -0.004 0.000 0.724 333 K HN 0.007 nan 8.250 nan 0.000 0.446 334 V N 1.261 121.125 119.914 -0.084 0.000 2.392 334 V HA -0.241 3.879 4.120 0.000 0.000 0.249 334 V C 2.011 178.078 176.094 -0.045 0.000 1.059 334 V CA 1.376 63.632 62.300 -0.072 0.000 1.051 334 V CB -0.326 31.344 31.823 -0.256 0.000 0.658 334 V HN 0.216 nan 8.190 nan 0.000 0.455 335 L N 1.052 122.229 121.223 -0.076 0.000 2.049 335 L HA -0.025 4.315 4.340 0.000 0.000 0.203 335 L C 2.007 178.870 176.870 -0.012 0.000 1.074 335 L CA 2.305 57.118 54.840 -0.045 0.000 0.749 335 L CB -0.933 41.086 42.059 -0.067 0.000 0.907 335 L HN 0.680 nan 8.230 nan 0.000 0.439 336 D N -3.921 116.471 120.400 -0.012 0.000 2.407 336 D HA 0.035 4.675 4.640 0.000 0.000 0.208 336 D C 0.570 176.881 176.300 0.019 0.000 1.083 336 D CA 0.265 54.267 54.000 0.004 0.000 0.844 336 D CB 0.125 40.924 40.800 -0.002 0.000 0.967 336 D HN -0.004 nan 8.370 nan 0.000 0.506 337 S N -0.136 115.578 115.700 0.023 0.000 2.474 337 S HA 0.245 4.715 4.470 0.000 0.000 0.224 337 S C -0.289 174.344 174.600 0.056 0.000 1.209 337 S CA -0.657 57.566 58.200 0.038 0.000 1.212 337 S CB 0.479 63.699 63.200 0.033 0.000 1.137 337 S HN 0.361 nan 8.310 nan 0.000 0.446 338 T N -0.443 114.151 114.554 0.066 0.000 3.466 338 T HA 0.290 4.640 4.350 0.000 0.000 0.297 338 T C -2.141 172.621 174.700 0.103 0.000 1.640 338 T CA -1.610 60.544 62.100 0.090 0.000 1.631 338 T CB 0.855 69.782 68.868 0.098 0.000 0.928 338 T HN -0.011 nan 8.240 nan 0.000 0.688 339 P HA -0.110 nan 4.420 nan 0.000 0.216 339 P C 1.681 179.065 177.300 0.140 0.000 1.150 339 P CA 0.592 63.759 63.100 0.111 0.000 0.837 339 P CB 0.080 31.838 31.700 0.097 0.000 0.786 340 V N 0.125 120.131 119.914 0.153 0.000 2.307 340 V HA -0.200 3.920 4.120 0.000 0.000 0.245 340 V C 2.637 178.859 176.094 0.214 0.000 1.045 340 V CA 1.511 63.932 62.300 0.203 0.000 1.024 340 V CB -1.386 30.564 31.823 0.212 0.000 0.651 340 V HN 0.018 nan 8.190 nan 0.000 0.449 341 L N 0.511 121.842 121.223 0.180 0.000 2.079 341 L HA -0.191 4.150 4.340 0.000 0.000 0.210 341 L C 2.040 179.016 176.870 0.177 0.000 1.081 341 L CA 1.992 56.941 54.840 0.181 0.000 0.752 341 L CB -1.033 41.121 42.059 0.159 0.000 0.896 341 L HN 0.325 nan 8.230 nan 0.000 0.433 342 D N -1.339 119.153 120.400 0.153 0.000 2.117 342 D HA -0.179 4.461 4.640 0.000 0.000 0.197 342 D C 2.352 178.735 176.300 0.139 0.000 0.987 342 D CA 1.476 55.556 54.000 0.134 0.000 0.829 342 D CB -0.083 40.786 40.800 0.116 0.000 0.961 342 D HN 0.426 nan 8.370 nan 0.000 0.460 343 S N -0.187 115.623 115.700 0.184 0.000 2.368 343 S HA -0.096 4.374 4.470 0.000 0.000 0.224 343 S C 2.158 176.903 174.600 0.242 0.000 1.029 343 S CA 0.750 59.093 58.200 0.238 0.000 0.988 343 S CB -0.220 63.120 63.200 0.234 0.000 0.838 343 S HN 0.021 nan 8.310 nan 0.000 0.462 344 V N 1.989 122.064 119.914 0.268 0.000 2.332 344 V HA -0.132 3.989 4.120 0.000 0.000 0.248 344 V C 2.464 178.760 176.094 0.337 0.000 1.055 344 V CA 1.890 64.405 62.300 0.359 0.000 1.038 344 V CB -0.734 31.327 31.823 0.396 0.000 0.651 344 V HN 0.505 nan 8.190 nan 0.000 0.450 345 L N 0.037 121.402 121.223 0.236 0.000 2.027 345 L HA -0.102 4.238 4.340 0.000 0.000 0.206 345 L C 2.553 179.483 176.870 0.099 0.000 1.074 345 L CA 2.163 57.116 54.840 0.189 0.000 0.745 345 L CB -0.835 41.326 42.059 0.170 0.000 0.898 345 L HN 0.274 nan 8.230 nan 0.000 0.433 346 S N -0.469 115.225 115.700 -0.009 0.000 2.374 346 S HA -0.266 4.204 4.470 0.000 0.000 0.227 346 S C 1.861 176.340 174.600 -0.201 0.000 1.037 346 S CA 1.629 59.652 58.200 -0.294 0.000 1.024 346 S CB -0.352 62.377 63.200 -0.785 0.000 0.861 346 S HN 0.608 nan 8.310 nan 0.000 0.456 347 E N 1.254 121.509 120.200 0.092 0.000 2.046 347 E HA -0.024 4.326 4.350 0.000 0.000 0.190 347 E C 2.183 178.887 176.600 0.173 0.000 0.982 347 E CA 1.274 57.787 56.400 0.189 0.000 0.800 347 E CB -0.644 29.079 29.700 0.039 0.000 0.756 347 E HN 0.252 nan 8.360 nan 0.000 0.449 348 S N -0.508 115.398 115.700 0.342 0.000 2.365 348 S HA -0.146 4.324 4.470 0.000 0.000 0.225 348 S C 1.812 176.547 174.600 0.225 0.000 1.039 348 S CA 1.480 59.921 58.200 0.402 0.000 1.033 348 S CB -0.337 63.135 63.200 0.454 0.000 0.887 348 S HN 0.341 nan 8.310 nan 0.000 0.447 349 L N 0.561 121.830 121.223 0.078 0.000 2.179 349 L HA 0.045 4.385 4.340 0.000 0.000 0.208 349 L C 2.690 179.508 176.870 -0.086 0.000 1.096 349 L CA 0.896 55.702 54.840 -0.057 0.000 0.779 349 L CB -0.447 41.494 42.059 -0.196 0.000 0.922 349 L HN 0.278 nan 8.230 nan 0.000 0.443 350 R N 0.742 121.187 120.500 -0.091 0.000 2.103 350 R HA -0.194 4.147 4.340 0.000 0.000 0.242 350 R C 2.140 178.370 176.300 -0.117 0.000 1.142 350 R CA 1.615 57.636 56.100 -0.131 0.000 0.960 350 R CB -0.167 30.038 30.300 -0.159 0.000 0.858 350 R HN 0.337 nan 8.270 nan 0.000 0.439 351 L N -0.781 120.421 121.223 -0.036 0.000 2.375 351 L HA 0.007 4.347 4.340 0.000 0.000 0.215 351 L C 1.820 178.814 176.870 0.205 0.000 1.108 351 L CA 1.322 56.184 54.840 0.037 0.000 0.830 351 L CB 0.284 42.372 42.059 0.048 0.000 0.959 351 L HN 0.400 nan 8.230 nan 0.000 0.457 352 T N -4.864 109.727 114.554 0.062 0.000 2.986 352 T HA 0.356 4.707 4.350 0.000 0.000 0.264 352 T C 0.572 175.141 174.700 -0.219 0.000 0.964 352 T CA 0.115 62.075 62.100 -0.233 0.000 0.895 352 T CB 0.355 68.871 68.868 -0.587 0.000 1.163 352 T HN 0.044 nan 8.240 nan 0.000 0.517 353 A N 1.156 123.936 122.820 -0.068 0.000 2.269 353 A HA 0.831 5.151 4.320 0.000 0.000 0.302 353 A C 0.551 178.135 177.584 -0.001 0.000 1.266 353 A CA -0.371 51.606 52.037 -0.099 0.000 0.894 353 A CB 0.043 18.935 19.000 -0.180 0.000 1.147 353 A HN 0.815 nan 8.150 nan 0.000 0.537 354 A N 4.936 127.696 122.820 -0.101 0.000 3.129 354 A HA 0.592 4.913 4.320 0.000 0.000 0.282 354 A C -2.692 174.941 177.584 0.083 0.000 0.948 354 A CA -1.148 50.854 52.037 -0.058 0.000 1.027 354 A CB 0.176 18.915 19.000 -0.434 0.000 1.123 354 A HN 0.584 nan 8.150 nan 0.000 0.485 355 P HA 0.382 nan 4.420 nan 0.000 0.277 355 P C -0.744 176.708 177.300 0.254 0.000 1.240 355 P CA -0.126 63.007 63.100 0.055 0.000 0.798 355 P CB 0.708 32.447 31.700 0.064 0.000 0.979 356 F N 1.120 121.137 119.950 0.112 0.000 2.396 356 F HA 0.343 4.871 4.527 0.000 0.000 0.343 356 F C 1.036 176.867 175.800 0.052 0.000 1.104 356 F CA -1.001 57.038 58.000 0.066 0.000 1.161 356 F CB 0.034 39.020 39.000 -0.024 0.000 1.146 356 F HN 0.074 nan 8.300 nan 0.000 0.522 357 I N 2.958 123.647 120.570 0.199 0.000 2.307 357 I HA 0.291 4.461 4.170 0.000 0.000 0.289 357 I C -0.243 175.875 176.117 0.002 0.000 1.021 357 I CA 0.014 61.342 61.300 0.046 0.000 1.224 357 I CB 0.974 38.918 38.000 -0.093 0.000 1.376 357 I HN 0.461 nan 8.210 nan 0.000 0.470 358 T N 6.151 120.733 114.554 0.046 0.000 2.881 358 T HA 0.569 4.919 4.350 0.000 0.000 0.290 358 T C -0.498 174.221 174.700 0.032 0.000 1.000 358 T CA -0.836 61.258 62.100 -0.011 0.000 0.978 358 T CB 1.490 70.357 68.868 -0.002 0.000 0.997 358 T HN 0.325 nan 8.240 nan 0.000 0.443 359 R N 2.232 122.715 120.500 -0.028 0.000 2.628 359 R HA 0.418 4.758 4.340 0.000 0.000 0.288 359 R C -0.878 175.402 176.300 -0.035 0.000 0.980 359 R CA -0.894 55.218 56.100 0.020 0.000 0.891 359 R CB 1.738 32.056 30.300 0.029 0.000 1.188 359 R HN 0.546 nan 8.270 nan 0.000 0.450 360 E N 1.975 122.169 120.200 -0.010 0.000 2.229 360 E HA 0.163 4.513 4.350 0.000 0.000 0.283 360 E C -0.178 176.415 176.600 -0.013 0.000 1.030 360 E CA -0.602 55.778 56.400 -0.034 0.000 0.836 360 E CB 1.629 31.315 29.700 -0.023 0.000 1.068 360 E HN 0.191 nan 8.360 nan 0.000 0.401 361 V N 4.568 124.469 119.914 -0.022 0.000 2.403 361 V HA -0.038 4.082 4.120 0.000 0.000 0.265 361 V C 1.463 177.557 176.094 0.001 0.000 1.034 361 V CA 0.046 62.342 62.300 -0.006 0.000 1.036 361 V CB 0.442 32.258 31.823 -0.011 0.000 1.032 361 V HN 0.522 nan 8.190 nan 0.000 0.478 362 V N 5.128 125.048 119.914 0.010 0.000 2.535 362 V HA 0.075 4.195 4.120 0.000 0.000 0.246 362 V C 0.653 176.756 176.094 0.014 0.000 1.045 362 V CA 1.094 63.401 62.300 0.011 0.000 1.058 362 V CB 0.743 32.574 31.823 0.014 0.000 0.689 362 V HN 0.565 nan 8.190 nan 0.000 0.461 363 V N -0.358 119.567 119.914 0.017 0.000 2.971 363 V HA 0.417 4.537 4.120 0.000 0.000 0.309 363 V C -1.464 174.641 176.094 0.018 0.000 1.130 363 V CA -0.918 61.392 62.300 0.018 0.000 0.964 363 V CB 2.288 34.123 31.823 0.021 0.000 1.029 363 V HN 0.263 nan 8.190 nan 0.000 0.427 364 D N 4.309 124.718 120.400 0.015 0.000 2.531 364 D HA 0.389 5.029 4.640 0.000 0.000 0.239 364 D C -0.302 176.011 176.300 0.021 0.000 1.144 364 D CA 0.901 54.910 54.000 0.014 0.000 0.869 364 D CB 0.485 41.290 40.800 0.009 0.000 1.160 364 D HN 0.545 nan 8.370 nan 0.000 0.484 365 L N -0.383 120.857 121.223 0.027 0.000 2.491 365 L HA 0.901 5.241 4.340 0.000 0.000 0.254 365 L C -1.156 175.741 176.870 0.045 0.000 1.048 365 L CA -1.344 53.518 54.840 0.036 0.000 0.855 365 L CB 1.661 43.745 42.059 0.042 0.000 1.466 365 L HN 0.185 nan 8.230 nan 0.000 0.409 366 A N 1.972 124.822 122.820 0.050 0.000 2.318 366 A HA 0.817 5.137 4.320 0.000 0.000 0.324 366 A C -0.642 176.988 177.584 0.078 0.000 1.170 366 A CA -0.376 51.696 52.037 0.058 0.000 0.810 366 A CB 1.173 20.198 19.000 0.040 0.000 1.198 366 A HN 0.904 nan 8.150 nan 0.000 0.484 367 M N 5.304 124.970 119.600 0.109 0.000 2.078 367 M HA 0.390 4.870 4.480 0.000 0.000 0.320 367 M C -2.646 173.744 176.300 0.149 0.000 0.969 367 M CA -2.277 53.099 55.300 0.126 0.000 0.929 367 M CB 2.083 34.762 32.600 0.133 0.000 1.504 367 M HN 0.394 nan 8.290 nan 0.000 0.419 368 P HA 0.216 nan 4.420 nan 0.000 0.281 368 P C -1.101 176.279 177.300 0.133 0.000 1.252 368 P CA -0.334 62.833 63.100 0.113 0.000 0.778 368 P CB 0.756 32.506 31.700 0.084 0.000 0.895 369 M N 2.476 122.167 119.600 0.152 0.000 2.342 369 M HA 0.294 4.774 4.480 0.000 0.000 0.332 369 M C 1.540 177.898 176.300 0.096 0.000 1.166 369 M CA -0.761 54.626 55.300 0.144 0.000 1.086 369 M CB 0.690 33.410 32.600 0.200 0.000 1.541 369 M HN 0.424 nan 8.290 nan 0.000 0.462 370 A N 1.334 124.201 122.820 0.080 0.000 2.121 370 A HA -0.110 4.210 4.320 0.000 0.000 0.218 370 A C 1.002 178.590 177.584 0.007 0.000 1.154 370 A CA 1.514 53.575 52.037 0.040 0.000 0.679 370 A CB -0.701 18.317 19.000 0.031 0.000 0.795 370 A HN 0.840 nan 8.150 nan 0.000 0.458 371 D N -2.409 118.005 120.400 0.023 0.000 2.395 371 D HA 0.328 4.968 4.640 0.000 0.000 0.226 371 D C 1.089 177.403 176.300 0.023 0.000 1.146 371 D CA 0.760 54.767 54.000 0.011 0.000 0.830 371 D CB -0.329 40.483 40.800 0.020 0.000 0.958 371 D HN 0.579 nan 8.370 nan 0.000 0.501 372 G N 0.632 109.449 108.800 0.028 0.000 2.345 372 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 372 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 372 G C 0.540 175.452 174.900 0.020 0.000 1.058 372 G CA -0.208 44.904 45.100 0.020 0.000 0.632 372 G HN 0.460 nan 8.290 nan 0.000 0.508 373 R N 1.871 122.393 120.500 0.037 0.000 2.811 373 R HA 0.493 4.833 4.340 0.000 0.000 0.265 373 R C 0.624 176.937 176.300 0.023 0.000 1.026 373 R CA 1.089 57.193 56.100 0.006 0.000 1.142 373 R CB 0.224 30.570 30.300 0.076 0.000 1.027 373 R HN 0.771 nan 8.270 nan 0.000 0.465 374 E N 0.595 120.739 120.200 -0.094 0.000 2.383 374 E HA 0.463 4.813 4.350 0.000 0.000 0.275 374 E C -1.346 175.129 176.600 -0.209 0.000 0.918 374 E CA -0.801 55.588 56.400 -0.018 0.000 0.764 374 E CB 1.481 31.183 29.700 0.002 0.000 1.252 374 E HN 0.282 nan 8.360 nan 0.000 0.449 375 F N 0.669 120.630 119.950 0.018 0.000 2.576 375 F HA 0.414 4.941 4.527 0.000 0.000 0.313 375 F C -0.300 175.503 175.800 0.006 0.000 1.078 375 F CA -1.022 56.985 58.000 0.012 0.000 0.921 375 F CB 2.323 41.330 39.000 0.011 0.000 1.232 375 F HN 0.362 nan 8.300 nan 0.000 0.459 376 N N 3.424 122.227 118.700 0.173 0.000 2.425 376 N HA 0.437 5.177 4.740 0.000 0.000 0.268 376 N C -1.109 174.450 175.510 0.082 0.000 0.991 376 N CA -0.306 52.798 53.050 0.090 0.000 0.931 376 N CB 1.575 40.085 38.487 0.039 0.000 1.130 376 N HN 0.461 nan 8.380 nan 0.000 0.493 377 L N 1.786 123.044 121.223 0.058 0.000 2.275 377 L HA 0.438 4.778 4.340 0.000 0.000 0.288 377 L C 0.940 177.818 176.870 0.012 0.000 1.046 377 L CA -0.614 54.244 54.840 0.030 0.000 0.805 377 L CB 1.427 43.501 42.059 0.024 0.000 1.193 377 L HN 0.237 nan 8.230 nan 0.000 0.426 378 R N 3.286 123.783 120.500 -0.005 0.000 2.221 378 R HA 0.224 4.564 4.340 0.000 0.000 0.327 378 R C 0.026 176.319 176.300 -0.011 0.000 1.033 378 R CA -0.799 55.292 56.100 -0.015 0.000 0.887 378 R CB 0.842 31.116 30.300 -0.042 0.000 1.057 378 R HN 0.551 nan 8.270 nan 0.000 0.455 379 R N 2.742 123.239 120.500 -0.004 0.000 2.500 379 R HA -0.122 4.218 4.340 0.000 0.000 0.281 379 R C 0.674 176.974 176.300 0.000 0.000 0.953 379 R CA 1.852 57.952 56.100 0.000 0.000 1.108 379 R CB 0.019 30.322 30.300 0.005 0.000 0.901 379 R HN 0.897 nan 8.270 nan 0.000 0.410 380 G N 2.250 111.050 108.800 0.001 0.000 2.234 380 G HA2 -0.237 3.724 3.960 0.000 0.000 0.235 380 G HA3 -0.237 3.724 3.960 0.000 0.000 0.235 380 G C -0.407 174.494 174.900 0.001 0.000 0.997 380 G CA 0.176 45.279 45.100 0.005 0.000 0.623 380 G HN 0.701 nan 8.290 nan 0.000 0.514 381 D N 0.093 120.490 120.400 -0.003 0.000 2.358 381 D HA 0.520 5.160 4.640 0.000 0.000 0.244 381 D C 0.722 176.980 176.300 -0.070 0.000 1.163 381 D CA -0.133 53.859 54.000 -0.013 0.000 0.945 381 D CB 0.781 41.575 40.800 -0.011 0.000 1.152 381 D HN 0.450 nan 8.370 nan 0.000 0.451 382 R N 1.067 121.495 120.500 -0.120 0.000 2.338 382 R HA 0.437 4.778 4.340 0.000 0.000 0.317 382 R C -1.225 174.965 176.300 -0.182 0.000 0.968 382 R CA -0.790 55.202 56.100 -0.180 0.000 0.849 382 R CB 0.619 30.748 30.300 -0.284 0.000 1.128 382 R HN 0.278 nan 8.270 nan 0.000 0.448 383 L N 5.594 126.724 121.223 -0.156 0.000 2.275 383 L HA 0.458 4.798 4.340 0.000 0.000 0.288 383 L C -1.622 175.133 176.870 -0.191 0.000 1.046 383 L CA -0.552 54.194 54.840 -0.158 0.000 0.805 383 L CB 1.403 43.401 42.059 -0.101 0.000 1.193 383 L HN 0.648 nan 8.230 nan 0.000 0.426 384 L N 6.220 127.301 121.223 -0.236 0.000 2.356 384 L HA 0.616 4.956 4.340 0.000 0.000 0.277 384 L C -1.475 175.273 176.870 -0.204 0.000 0.996 384 L CA -0.271 54.417 54.840 -0.253 0.000 0.822 384 L CB 1.548 43.386 42.059 -0.370 0.000 1.256 384 L HN 0.565 nan 8.230 nan 0.000 0.413 385 L N 4.767 125.887 121.223 -0.172 0.000 2.334 385 L HA 0.510 4.850 4.340 0.000 0.000 0.276 385 L C -1.122 175.771 176.870 0.039 0.000 1.014 385 L CA -0.573 54.150 54.840 -0.195 0.000 0.815 385 L CB 1.745 43.459 42.059 -0.574 0.000 1.268 385 L HN 0.550 nan 8.230 nan 0.000 0.428 386 F N 4.722 124.640 119.950 -0.052 0.000 2.686 386 F HA 0.458 4.985 4.527 0.000 0.000 0.365 386 F C -2.085 173.815 175.800 0.167 0.000 1.196 386 F CA -2.719 55.347 58.000 0.110 0.000 1.198 386 F CB 0.928 40.018 39.000 0.149 0.000 1.454 386 F HN 0.203 nan 8.300 nan 0.000 0.539 387 P HA -0.214 nan 4.420 nan 0.000 0.217 387 P C 1.968 179.217 177.300 -0.086 0.000 1.148 387 P CA 1.303 64.451 63.100 0.080 0.000 0.828 387 P CB -0.062 31.677 31.700 0.065 0.000 0.783 388 F N -0.204 119.464 119.950 -0.470 0.000 2.111 388 F HA -0.265 4.262 4.527 0.000 0.000 0.300 388 F C 1.874 177.391 175.800 -0.471 0.000 1.088 388 F CA 1.471 59.120 58.000 -0.585 0.000 1.243 388 F CB -0.658 37.737 39.000 -1.008 0.000 0.996 388 F HN -0.177 nan 8.300 nan 0.000 0.483 389 L N -1.065 119.871 121.223 -0.479 0.000 2.102 389 L HA 0.137 4.477 4.340 0.000 0.000 0.202 389 L C 0.731 177.527 176.870 -0.124 0.000 1.076 389 L CA 1.388 56.085 54.840 -0.239 0.000 0.761 389 L CB -0.250 41.800 42.059 -0.015 0.000 0.921 389 L HN 0.098 nan 8.230 nan 0.000 0.444 390 S N -1.447 114.233 115.700 -0.033 0.000 2.614 390 S HA 0.442 4.912 4.470 0.000 0.000 0.275 390 S C -2.283 172.359 174.600 0.070 0.000 1.161 390 S CA -0.985 57.212 58.200 -0.005 0.000 0.969 390 S CB 1.632 64.825 63.200 -0.011 0.000 1.059 390 S HN -0.043 nan 8.310 nan 0.000 0.482 391 P HA 0.033 nan 4.420 nan 0.000 0.235 391 P C 0.878 178.238 177.300 0.101 0.000 1.177 391 P CA 0.516 63.620 63.100 0.007 0.000 0.785 391 P CB 0.247 31.952 31.700 0.009 0.000 0.885 392 Q N 0.311 120.125 119.800 0.023 0.000 2.050 392 Q HA -0.057 4.283 4.340 0.000 0.000 0.202 392 Q C 1.563 177.489 176.000 -0.123 0.000 0.980 392 Q CA 1.329 57.104 55.803 -0.048 0.000 0.840 392 Q CB -0.207 28.407 28.738 -0.208 0.000 0.898 392 Q HN 0.242 nan 8.270 nan 0.000 0.424 393 R N 0.809 121.167 120.500 -0.238 0.000 2.696 393 R HA 0.116 4.456 4.340 0.000 0.000 0.355 393 R C -0.718 175.532 176.300 -0.083 0.000 1.138 393 R CA -0.188 55.782 56.100 -0.216 0.000 1.059 393 R CB 0.505 30.556 30.300 -0.414 0.000 1.380 393 R HN 0.068 nan 8.270 nan 0.000 0.578 394 D N 1.808 122.206 120.400 -0.004 0.000 2.339 394 D HA 0.069 4.710 4.640 0.000 0.000 0.241 394 D C -1.436 174.870 176.300 0.010 0.000 1.183 394 D CA -2.197 51.797 54.000 -0.011 0.000 0.859 394 D CB 1.570 42.350 40.800 -0.033 0.000 1.067 394 D HN 0.032 nan 8.370 nan 0.000 0.484 395 P HA -0.076 nan 4.420 nan 0.000 0.230 395 P C 0.555 177.852 177.300 -0.005 0.000 1.158 395 P CA 0.743 63.846 63.100 0.006 0.000 0.769 395 P CB 0.500 32.198 31.700 -0.003 0.000 0.807 396 E N -0.692 119.496 120.200 -0.019 0.000 2.371 396 E HA 0.052 4.403 4.350 0.000 0.000 0.194 396 E C 1.936 178.506 176.600 -0.050 0.000 1.012 396 E CA 0.389 56.775 56.400 -0.024 0.000 0.860 396 E CB -0.092 29.599 29.700 -0.015 0.000 0.811 396 E HN 0.339 nan 8.360 nan 0.000 0.502 397 I N -0.564 119.941 120.570 -0.109 0.000 2.729 397 I HA -0.048 4.122 4.170 0.000 0.000 0.256 397 I C 0.055 175.959 176.117 -0.355 0.000 1.115 397 I CA 0.469 61.607 61.300 -0.271 0.000 1.446 397 I CB 0.399 38.127 38.000 -0.454 0.000 1.176 397 I HN -0.062 nan 8.210 nan 0.000 0.446 398 Y N 0.884 121.172 120.300 -0.020 0.000 2.350 398 Y HA 0.327 4.877 4.550 0.000 0.000 0.338 398 Y C 0.170 176.036 175.900 -0.057 0.000 0.961 398 Y CA -1.291 56.777 58.100 -0.053 0.000 1.100 398 Y CB 1.273 39.657 38.460 -0.127 0.000 1.179 398 Y HN -0.181 nan 8.280 nan 0.000 0.454 399 T N 4.056 118.661 114.554 0.086 0.000 2.851 399 T HA 0.098 4.448 4.350 0.000 0.000 0.298 399 T C -0.547 174.158 174.700 0.009 0.000 0.977 399 T CA -0.430 61.685 62.100 0.025 0.000 1.126 399 T CB 0.003 68.870 68.868 -0.002 0.000 0.916 399 T HN 0.655 nan 8.240 nan 0.000 0.529 400 D N 2.698 123.098 120.400 -0.001 0.000 2.904 400 D HA -0.113 4.527 4.640 0.000 0.000 0.231 400 D C -1.774 174.511 176.300 -0.025 0.000 1.185 400 D CA -0.049 53.943 54.000 -0.013 0.000 0.783 400 D CB -0.480 40.309 40.800 -0.019 0.000 0.961 400 D HN 0.420 nan 8.370 nan 0.000 0.409 401 P HA -0.159 nan 4.420 nan 0.000 0.230 401 P C 1.356 178.603 177.300 -0.088 0.000 1.158 401 P CA 1.016 64.088 63.100 -0.048 0.000 0.769 401 P CB 0.341 32.030 31.700 -0.019 0.000 0.807 402 E N 0.100 120.268 120.200 -0.053 0.000 2.371 402 E HA 0.012 4.362 4.350 0.000 0.000 0.194 402 E C 0.346 176.930 176.600 -0.027 0.000 1.012 402 E CA 0.307 56.687 56.400 -0.035 0.000 0.860 402 E CB -0.548 29.148 29.700 -0.008 0.000 0.811 402 E HN 0.042 nan 8.360 nan 0.000 0.502 403 V N 2.360 122.248 119.914 -0.042 0.000 2.546 403 V HA 0.152 4.272 4.120 0.000 0.000 0.284 403 V C -0.165 175.881 176.094 -0.080 0.000 1.050 403 V CA -0.690 61.593 62.300 -0.029 0.000 0.981 403 V CB 0.592 32.399 31.823 -0.028 0.000 0.990 403 V HN 0.179 nan 8.190 nan 0.000 0.474 404 F N 5.762 125.572 119.950 -0.234 0.000 2.434 404 F HA 0.368 4.895 4.527 0.000 0.000 0.358 404 F C 0.469 176.180 175.800 -0.149 0.000 1.136 404 F CA -0.316 57.476 58.000 -0.348 0.000 1.157 404 F CB 0.016 38.626 39.000 -0.650 0.000 1.167 404 F HN 0.410 nan 8.300 nan 0.000 0.539 405 K N 7.534 127.554 120.400 -0.632 0.000 2.367 405 K HA 0.094 4.414 4.320 0.000 0.000 0.263 405 K C 0.188 176.326 176.600 -0.770 0.000 1.000 405 K CA -0.705 55.260 56.287 -0.537 0.000 0.891 405 K CB 0.815 33.115 32.500 -0.333 0.000 1.117 405 K HN 0.767 nan 8.250 nan 0.000 0.443 406 Y N 2.191 122.021 120.300 -0.782 0.000 2.333 406 Y HA -0.182 4.368 4.550 0.000 0.000 0.290 406 Y C 0.947 176.718 175.900 -0.215 0.000 1.144 406 Y CA 1.233 58.976 58.100 -0.595 0.000 1.228 406 Y CB -0.226 38.135 38.460 -0.164 0.000 0.985 406 Y HN 0.507 nan 8.280 nan 0.000 0.542 407 N N 0.824 118.936 118.700 -0.979 0.000 2.238 407 N HA 0.048 4.788 4.740 0.000 0.000 0.222 407 N C 1.269 176.557 175.510 -0.370 0.000 1.133 407 N CA -0.063 52.565 53.050 -0.704 0.000 0.854 407 N CB -0.466 37.457 38.487 -0.940 0.000 1.041 407 N HN 0.465 nan 8.380 nan 0.000 0.510 408 R N -0.085 120.199 120.500 -0.360 0.000 2.152 408 R HA 0.032 4.372 4.340 0.000 0.000 0.232 408 R C -0.106 175.932 176.300 -0.436 0.000 1.117 408 R CA 1.115 56.972 56.100 -0.404 0.000 0.981 408 R CB -0.113 29.855 30.300 -0.553 0.000 0.870 408 R HN 0.145 nan 8.270 nan 0.000 0.451 409 F N 0.445 120.420 119.950 0.042 0.000 2.750 409 F HA 0.333 4.860 4.527 0.000 0.000 0.297 409 F C -0.369 175.484 175.800 0.088 0.000 1.138 409 F CA -0.147 57.950 58.000 0.162 0.000 1.346 409 F CB 0.514 39.605 39.000 0.153 0.000 0.965 409 F HN -0.142 nan 8.300 nan 0.000 0.514 410 L N 0.250 121.519 121.223 0.078 0.000 2.386 410 L HA 0.443 4.783 4.340 0.000 0.000 0.271 410 L C -0.276 176.574 176.870 -0.032 0.000 0.993 410 L CA -0.970 53.889 54.840 0.032 0.000 0.819 410 L CB 1.638 43.691 42.059 -0.010 0.000 1.294 410 L HN -0.054 nan 8.230 nan 0.000 0.414 411 N N 2.403 121.090 118.700 -0.022 0.000 2.445 411 N HA 0.214 4.954 4.740 0.000 0.000 0.264 411 N C -1.749 173.736 175.510 -0.042 0.000 1.227 411 N CA -1.410 51.611 53.050 -0.049 0.000 0.963 411 N CB 0.877 39.342 38.487 -0.037 0.000 1.188 411 N HN 0.309 nan 8.380 nan 0.000 0.491 412 P HA -0.143 nan 4.420 nan 0.000 0.218 412 P C 0.491 177.782 177.300 -0.015 0.000 1.146 412 P CA 1.250 64.328 63.100 -0.035 0.000 0.813 412 P CB 0.120 31.797 31.700 -0.038 0.000 0.778 413 D N -1.918 118.476 120.400 -0.009 0.000 2.349 413 D HA 0.055 4.695 4.640 0.000 0.000 0.224 413 D C 1.394 177.704 176.300 0.017 0.000 1.029 413 D CA 0.668 54.670 54.000 0.004 0.000 0.879 413 D CB -0.865 39.937 40.800 0.003 0.000 0.906 413 D HN 0.233 nan 8.370 nan 0.000 0.528 414 G N 0.260 109.072 108.800 0.019 0.000 2.176 414 G HA2 -0.281 3.680 3.960 0.000 0.000 0.253 414 G HA3 -0.281 3.680 3.960 0.000 0.000 0.253 414 G C 0.367 175.297 174.900 0.049 0.000 0.979 414 G CA 0.424 45.548 45.100 0.040 0.000 0.641 414 G HN 0.802 nan 8.290 nan 0.000 0.530 415 S N -0.335 115.388 115.700 0.038 0.000 2.617 415 S HA 0.561 5.032 4.470 0.000 0.000 0.269 415 S C 0.254 174.893 174.600 0.064 0.000 1.292 415 S CA 0.151 58.380 58.200 0.048 0.000 1.010 415 S CB 1.986 65.206 63.200 0.034 0.000 0.944 415 S HN 0.670 nan 8.310 nan 0.000 0.536 416 E N 0.976 121.228 120.200 0.087 0.000 2.415 416 E HA 0.005 4.355 4.350 0.000 0.000 0.260 416 E C -0.199 176.475 176.600 0.124 0.000 1.016 416 E CA -0.102 56.377 56.400 0.132 0.000 0.924 416 E CB 0.375 30.161 29.700 0.144 0.000 0.961 416 E HN 0.583 nan 8.360 nan 0.000 0.459 417 K N 4.634 125.128 120.400 0.157 0.000 2.297 417 K HA 0.090 4.410 4.320 0.000 0.000 0.286 417 K C 0.003 176.714 176.600 0.185 0.000 1.053 417 K CA -0.124 56.208 56.287 0.074 0.000 0.940 417 K CB 0.597 33.080 32.500 -0.028 0.000 1.019 417 K HN 0.480 nan 8.250 nan 0.000 0.475 418 K N 2.130 122.542 120.400 0.021 0.000 2.438 418 K HA 0.035 4.355 4.320 0.000 0.000 0.206 418 K C -0.668 175.806 176.600 -0.211 0.000 1.081 418 K CA -0.124 56.203 56.287 0.066 0.000 1.053 418 K CB 0.617 33.204 32.500 0.145 0.000 0.908 418 K HN 0.649 nan 8.250 nan 0.000 0.556 419 D N 0.702 120.836 120.400 -0.444 0.000 2.427 419 D HA 0.186 4.826 4.640 0.000 0.000 0.226 419 D C -0.715 175.060 176.300 -0.875 0.000 1.076 419 D CA -0.258 53.446 54.000 -0.493 0.000 0.849 419 D CB 0.351 41.035 40.800 -0.193 0.000 1.052 419 D HN -0.174 nan 8.370 nan 0.000 0.515 420 F N 1.402 120.980 119.950 -0.621 0.000 2.576 420 F HA 0.481 5.008 4.527 0.000 0.000 0.313 420 F C -0.672 174.723 175.800 -0.676 0.000 1.078 420 F CA -0.960 56.737 58.000 -0.506 0.000 0.921 420 F CB 1.931 40.608 39.000 -0.538 0.000 1.232 420 F HN 0.163 nan 8.300 nan 0.000 0.459 421 Y N 0.859 121.154 120.300 -0.009 0.000 2.512 421 Y HA 0.615 5.166 4.550 0.000 0.000 0.348 421 Y C -0.460 175.435 175.900 -0.010 0.000 0.990 421 Y CA -1.144 56.957 58.100 0.002 0.000 1.033 421 Y CB 2.563 41.008 38.460 -0.024 0.000 1.259 421 Y HN 0.394 nan 8.280 nan 0.000 0.461 422 K N 1.324 121.855 120.400 0.218 0.000 2.523 422 K HA 0.237 4.557 4.320 0.000 0.000 0.257 422 K C -1.453 175.311 176.600 0.273 0.000 0.932 422 K CA -0.550 55.839 56.287 0.170 0.000 0.812 422 K CB 1.432 33.944 32.500 0.020 0.000 1.326 422 K HN 0.786 nan 8.250 nan 0.000 0.433 423 D N 2.389 122.875 120.400 0.143 0.000 2.701 423 D HA -0.192 4.448 4.640 0.000 0.000 0.235 423 D C 0.584 176.922 176.300 0.064 0.000 1.155 423 D CA 1.962 56.017 54.000 0.092 0.000 0.649 423 D CB -1.137 39.718 40.800 0.091 0.000 1.050 423 D HN 1.068 nan 8.370 nan 0.000 0.425 424 G N -0.671 108.181 108.800 0.086 0.000 2.148 424 G HA2 -0.355 3.605 3.960 0.000 0.000 0.254 424 G HA3 -0.355 3.605 3.960 0.000 0.000 0.254 424 G C 0.220 175.181 174.900 0.102 0.000 0.981 424 G CA 0.851 45.987 45.100 0.060 0.000 0.670 424 G HN 0.511 nan 8.290 nan 0.000 0.528 425 K N -0.517 119.987 120.400 0.173 0.000 2.422 425 K HA 0.478 4.798 4.320 0.000 0.000 0.251 425 K C -0.014 176.758 176.600 0.287 0.000 0.933 425 K CA -1.046 55.331 56.287 0.151 0.000 0.798 425 K CB 1.944 34.339 32.500 -0.175 0.000 1.238 425 K HN 0.119 nan 8.250 nan 0.000 0.428 426 R N 3.076 123.660 120.500 0.140 0.000 2.401 426 R HA 0.173 4.513 4.340 0.000 0.000 0.299 426 R C -0.586 175.706 176.300 -0.013 0.000 1.064 426 R CA -0.220 55.720 56.100 -0.267 0.000 1.000 426 R CB 0.258 30.382 30.300 -0.294 0.000 0.973 426 R HN 0.543 nan 8.270 nan 0.000 0.438 427 L N 5.362 126.529 121.223 -0.094 0.000 2.360 427 L HA 0.081 4.421 4.340 0.000 0.000 0.276 427 L C 1.669 178.613 176.870 0.122 0.000 1.121 427 L CA 0.199 55.040 54.840 0.001 0.000 0.845 427 L CB 1.129 43.149 42.059 -0.065 0.000 1.143 427 L HN 0.698 nan 8.230 nan 0.000 0.452 428 K N 2.906 123.382 120.400 0.126 0.000 2.062 428 K HA 0.010 4.330 4.320 0.000 0.000 0.205 428 K C 0.225 176.900 176.600 0.125 0.000 1.051 428 K CA 0.829 57.203 56.287 0.146 0.000 0.941 428 K CB 0.335 32.910 32.500 0.124 0.000 0.719 428 K HN 0.588 nan 8.250 nan 0.000 0.440 429 N N 0.672 119.411 118.700 0.065 0.000 2.469 429 N HA 0.077 4.817 4.740 0.000 0.000 0.253 429 N C -0.594 174.919 175.510 0.005 0.000 0.970 429 N CA -0.270 52.770 53.050 -0.017 0.000 0.940 429 N CB 1.285 39.801 38.487 0.049 0.000 1.128 429 N HN 0.311 nan 8.380 nan 0.000 0.503 430 Y N -0.154 120.154 120.300 0.013 0.000 2.423 430 Y HA 0.420 4.970 4.550 0.000 0.000 0.257 430 Y C -0.188 175.753 175.900 0.069 0.000 1.087 430 Y CA -0.629 57.459 58.100 -0.021 0.000 1.258 430 Y CB 0.550 38.965 38.460 -0.073 0.000 1.237 430 Y HN 0.202 nan 8.280 nan 0.000 0.517 431 N N 1.182 119.776 118.700 -0.176 0.000 2.519 431 N HA 0.376 5.116 4.740 0.000 0.000 0.291 431 N C -1.438 173.980 175.510 -0.154 0.000 1.107 431 N CA -0.381 52.605 53.050 -0.107 0.000 0.904 431 N CB 1.495 39.894 38.487 -0.147 0.000 1.500 431 N HN 0.314 nan 8.380 nan 0.000 0.510 432 M N 4.104 123.646 119.600 -0.096 0.000 3.200 432 M HA 0.295 4.775 4.480 0.000 0.000 0.335 432 M C -1.743 174.485 176.300 -0.119 0.000 1.446 432 M CA -1.276 53.986 55.300 -0.063 0.000 0.691 432 M CB 1.462 34.059 32.600 -0.005 0.000 1.409 432 M HN 0.279 nan 8.290 nan 0.000 0.488 433 P HA -0.065 nan 4.420 nan 0.000 0.229 433 P C 0.197 177.200 177.300 -0.494 0.000 1.160 433 P CA 1.213 64.022 63.100 -0.484 0.000 0.777 433 P CB -0.066 31.157 31.700 -0.794 0.000 0.814 434 W N 0.523 121.807 121.300 -0.027 0.000 3.325 434 W HA 0.471 5.131 4.660 0.000 0.000 0.370 434 W C 1.195 177.718 176.519 0.007 0.000 1.169 434 W CA 0.417 57.757 57.345 -0.009 0.000 1.874 434 W CB -0.342 29.114 29.460 -0.007 0.000 1.076 434 W HN 0.055 nan 8.180 nan 0.000 0.684 435 G N 1.333 110.204 108.800 0.117 0.000 2.584 435 G HA2 0.193 4.153 3.960 0.000 0.000 0.229 435 G HA3 0.193 4.153 3.960 0.000 0.000 0.229 435 G C -0.450 174.457 174.900 0.012 0.000 1.320 435 G CA -0.241 44.895 45.100 0.060 0.000 0.891 435 G HN 0.871 nan 8.290 nan 0.000 0.573 436 A N -2.315 120.456 122.820 -0.082 0.000 2.566 436 A HA 1.136 5.456 4.320 0.000 0.000 0.290 436 A C 1.212 178.519 177.584 -0.462 0.000 1.071 436 A CA 1.329 53.218 52.037 -0.246 0.000 0.658 436 A CB 0.646 19.491 19.000 -0.259 0.000 1.285 436 A HN 3.248 nan 8.150 nan 0.000 0.427 437 G N -0.087 108.117 108.800 -0.993 0.000 2.528 437 G HA2 -0.224 3.736 3.960 0.000 0.000 0.262 437 G HA3 -0.224 3.736 3.960 0.000 0.000 0.262 437 G C 0.332 174.807 174.900 -0.708 0.000 1.200 437 G CA 1.016 45.234 45.100 -1.471 0.000 0.951 437 G HN 1.649 nan 8.290 nan 0.000 0.566 438 H N 0.637 119.566 119.070 -0.234 0.000 2.551 438 H HA 0.281 4.838 4.556 0.000 0.000 0.271 438 H C 1.149 176.273 175.328 -0.341 0.000 0.984 438 H CA 0.496 56.512 56.048 -0.053 0.000 1.164 438 H CB 0.367 30.152 29.762 0.039 0.000 1.437 438 H HN 0.222 nan 8.280 nan 0.000 0.550 439 N N 1.786 120.248 118.700 -0.396 0.000 3.170 439 N HA -0.010 4.730 4.740 0.000 0.000 0.305 439 N C -1.072 174.326 175.510 -0.187 0.000 1.499 439 N CA -0.362 52.397 53.050 -0.486 0.000 1.110 439 N CB -0.102 37.970 38.487 -0.691 0.000 1.390 439 N HN 0.491 nan 8.380 nan 0.000 0.508 440 H N -1.932 117.061 119.070 -0.128 0.000 2.834 440 H HA 0.364 4.921 4.556 0.000 0.000 0.369 440 H C -0.319 175.021 175.328 0.020 0.000 1.174 440 H CA -0.898 55.127 56.048 -0.039 0.000 1.165 440 H CB 0.651 30.387 29.762 -0.044 0.000 1.820 440 H HN 0.045 nan 8.280 nan 0.000 0.558 441 C N 3.011 122.432 119.300 0.202 0.000 2.592 441 C HA 0.043 4.503 4.460 0.000 0.000 0.408 441 C C 2.063 177.077 174.990 0.041 0.000 1.436 441 C CA -0.290 58.815 59.018 0.146 0.000 1.595 441 C CB -1.913 26.038 27.740 0.352 0.000 2.487 441 C HN 0.693 nan 8.230 nan 0.000 0.610 442 L N 5.090 126.287 121.223 -0.044 0.000 2.341 442 L HA 0.154 4.494 4.340 0.000 0.000 0.214 442 L C 2.271 179.114 176.870 -0.046 0.000 1.115 442 L CA 1.243 56.049 54.840 -0.056 0.000 0.820 442 L CB -0.538 41.491 42.059 -0.049 0.000 0.944 442 L HN 0.930 nan 8.230 nan 0.000 0.452 443 G N -0.608 108.171 108.800 -0.034 0.000 3.434 443 G HA2 0.011 3.971 3.960 0.000 0.000 0.258 443 G HA3 0.011 3.971 3.960 0.000 0.000 0.258 443 G C 1.455 176.326 174.900 -0.048 0.000 1.128 443 G CA -0.380 44.708 45.100 -0.021 0.000 0.792 443 G HN 0.139 nan 8.290 nan 0.000 0.539 444 R N 0.602 120.983 120.500 -0.198 0.000 2.094 444 R HA -0.137 4.203 4.340 0.000 0.000 0.239 444 R C 2.285 178.296 176.300 -0.481 0.000 1.137 444 R CA 2.173 57.909 56.100 -0.606 0.000 0.943 444 R CB -0.373 29.354 30.300 -0.955 0.000 0.850 444 R HN 0.248 nan 8.270 nan 0.000 0.433 445 S N -0.142 115.381 115.700 -0.294 0.000 2.370 445 S HA -0.197 4.273 4.470 0.000 0.000 0.226 445 S C 1.531 176.086 174.600 -0.075 0.000 1.033 445 S CA 1.394 59.488 58.200 -0.178 0.000 1.011 445 S CB -0.545 62.581 63.200 -0.123 0.000 0.852 445 S HN 0.514 nan 8.310 nan 0.000 0.457 446 Y N 2.417 122.626 120.300 -0.152 0.000 2.224 446 Y HA -0.062 4.488 4.550 0.000 0.000 0.289 446 Y C 2.335 178.191 175.900 -0.073 0.000 1.146 446 Y CA 0.806 58.838 58.100 -0.113 0.000 1.182 446 Y CB -0.854 37.519 38.460 -0.145 0.000 0.983 446 Y HN 0.191 nan 8.280 nan 0.000 0.524 447 A N -0.489 122.198 122.820 -0.222 0.000 1.898 447 A HA -0.115 4.206 4.320 0.000 0.000 0.216 447 A C 2.344 179.885 177.584 -0.071 0.000 1.181 447 A CA 1.986 53.913 52.037 -0.183 0.000 0.620 447 A CB -1.285 17.773 19.000 0.096 0.000 0.819 447 A HN 0.324 nan 8.150 nan 0.000 0.442 448 V N 0.882 120.778 119.914 -0.029 0.000 2.295 448 V HA -0.315 3.806 4.120 0.000 0.000 0.246 448 V C 2.187 178.280 176.094 -0.002 0.000 1.049 448 V CA 2.291 64.613 62.300 0.036 0.000 1.024 448 V CB -1.241 30.582 31.823 -0.000 0.000 0.648 448 V HN 0.643 nan 8.190 nan 0.000 0.447 449 N N 0.087 118.756 118.700 -0.052 0.000 2.104 449 N HA -0.182 4.558 4.740 0.000 0.000 0.190 449 N C 2.005 177.491 175.510 -0.041 0.000 1.024 449 N CA 1.603 54.631 53.050 -0.037 0.000 0.853 449 N CB -0.195 38.276 38.487 -0.027 0.000 1.008 449 N HN 0.370 nan 8.380 nan 0.000 0.424 450 S N 0.912 116.518 115.700 -0.157 0.000 2.368 450 S HA -0.039 4.432 4.470 0.000 0.000 0.225 450 S C 2.009 176.613 174.600 0.007 0.000 1.030 450 S CA 0.727 58.835 58.200 -0.154 0.000 0.999 450 S CB -0.171 62.763 63.200 -0.443 0.000 0.844 450 S HN 0.246 nan 8.310 nan 0.000 0.459 451 I N 1.467 122.050 120.570 0.022 0.000 2.179 451 I HA -0.228 3.942 4.170 0.000 0.000 0.242 451 I C 2.366 178.603 176.117 0.200 0.000 1.088 451 I CA 1.249 62.632 61.300 0.138 0.000 1.357 451 I CB -0.268 37.809 38.000 0.129 0.000 1.051 451 I HN 0.226 nan 8.210 nan 0.000 0.409 452 K N 0.348 120.836 120.400 0.145 0.000 2.057 452 K HA -0.227 4.093 4.320 0.000 0.000 0.207 452 K C 2.154 178.875 176.600 0.201 0.000 1.049 452 K CA 1.405 57.786 56.287 0.156 0.000 0.931 452 K CB -0.204 32.357 32.500 0.101 0.000 0.714 452 K HN 0.414 nan 8.250 nan 0.000 0.440 453 Q N -0.192 119.723 119.800 0.191 0.000 2.084 453 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 453 Q C 1.984 178.214 176.000 0.382 0.000 0.978 453 Q CA 1.435 57.409 55.803 0.285 0.000 0.844 453 Q CB -0.175 28.744 28.738 0.301 0.000 0.898 453 Q HN 0.242 nan 8.270 nan 0.000 0.426 454 F N 0.681 120.718 119.950 0.146 0.000 2.102 454 F HA -0.197 4.330 4.527 0.000 0.000 0.298 454 F C 1.975 177.851 175.800 0.126 0.000 1.105 454 F CA 1.030 59.083 58.000 0.088 0.000 1.239 454 F CB -0.369 38.644 39.000 0.022 0.000 0.991 454 F HN -0.202 nan 8.300 nan 0.000 0.474 455 V N 0.305 120.253 119.914 0.055 0.000 2.343 455 V HA -0.312 3.808 4.120 0.000 0.000 0.247 455 V C 2.279 178.387 176.094 0.023 0.000 1.051 455 V CA 2.115 64.397 62.300 -0.029 0.000 1.036 455 V CB -1.140 30.746 31.823 0.104 0.000 0.654 455 V HN 0.480 nan 8.190 nan 0.000 0.451 456 F N 0.374 120.337 119.950 0.023 0.000 2.069 456 F HA -0.200 4.327 4.527 0.000 0.000 0.298 456 F C 2.109 177.953 175.800 0.074 0.000 1.113 456 F CA 1.787 59.823 58.000 0.061 0.000 1.214 456 F CB -0.247 38.818 39.000 0.108 0.000 0.978 456 F HN 0.016 nan 8.300 nan 0.000 0.474 457 L N -0.427 120.973 121.223 0.295 0.000 2.042 457 L HA -0.252 4.088 4.340 0.000 0.000 0.210 457 L C 2.368 179.197 176.870 -0.068 0.000 1.076 457 L CA 1.189 56.132 54.840 0.172 0.000 0.749 457 L CB -0.811 41.317 42.059 0.116 0.000 0.893 457 L HN 0.087 nan 8.230 nan 0.000 0.432 458 V N -0.520 119.251 119.914 -0.239 0.000 2.270 458 V HA -0.269 3.851 4.120 0.000 0.000 0.245 458 V C 2.242 178.246 176.094 -0.150 0.000 1.043 458 V CA 1.411 63.569 62.300 -0.235 0.000 1.014 458 V CB -0.360 31.244 31.823 -0.366 0.000 0.645 458 V HN 0.261 nan 8.190 nan 0.000 0.447 459 L N -0.658 120.463 121.223 -0.170 0.000 2.376 459 L HA -0.022 4.319 4.340 0.000 0.000 0.219 459 L C 2.023 178.773 176.870 -0.201 0.000 1.133 459 L CA 1.378 56.130 54.840 -0.147 0.000 0.816 459 L CB -0.543 41.449 42.059 -0.111 0.000 0.933 459 L HN 0.150 nan 8.230 nan 0.000 0.449 460 V N -2.371 117.348 119.914 -0.325 0.000 2.922 460 V HA -0.084 4.036 4.120 0.000 0.000 0.242 460 V C 1.930 177.809 176.094 -0.358 0.000 1.094 460 V CA 0.828 62.870 62.300 -0.430 0.000 1.106 460 V CB -0.200 31.111 31.823 -0.854 0.000 0.799 460 V HN 0.403 nan 8.190 nan 0.000 0.474 461 H N -0.963 117.992 119.070 -0.191 0.000 2.547 461 H HA 0.382 4.938 4.556 0.000 0.000 0.272 461 H C 0.394 175.666 175.328 -0.093 0.000 0.971 461 H CA 0.317 56.293 56.048 -0.120 0.000 1.245 461 H CB 0.359 30.053 29.762 -0.113 0.000 1.440 461 H HN 0.219 nan 8.280 nan 0.000 0.540 462 L N 0.410 121.645 121.223 0.020 0.000 2.333 462 L HA 0.326 4.666 4.340 0.000 0.000 0.269 462 L C -0.611 176.258 176.870 -0.001 0.000 1.010 462 L CA -1.120 53.739 54.840 0.030 0.000 0.818 462 L CB 1.878 43.984 42.059 0.077 0.000 1.306 462 L HN 0.023 nan 8.230 nan 0.000 0.430 463 D N 2.246 122.641 120.400 -0.007 0.000 2.225 463 D HA 0.510 5.150 4.640 0.000 0.000 0.248 463 D C -0.893 175.524 176.300 0.195 0.000 1.096 463 D CA -0.069 53.965 54.000 0.056 0.000 0.863 463 D CB 2.311 43.088 40.800 -0.038 0.000 1.156 463 D HN 0.089 nan 8.370 nan 0.000 0.450 464 L N 2.016 123.334 121.223 0.159 0.000 2.409 464 L HA 0.408 4.748 4.340 0.000 0.000 0.272 464 L C -1.004 175.908 176.870 0.070 0.000 0.980 464 L CA -0.271 54.634 54.840 0.109 0.000 0.826 464 L CB 1.694 43.720 42.059 -0.055 0.000 1.268 464 L HN 0.246 nan 8.230 nan 0.000 0.407 465 E N 4.769 124.990 120.200 0.034 0.000 2.292 465 E HA 0.430 4.780 4.350 0.000 0.000 0.272 465 E C -1.213 175.331 176.600 -0.094 0.000 0.881 465 E CA -0.869 55.498 56.400 -0.055 0.000 0.754 465 E CB 2.273 31.880 29.700 -0.154 0.000 1.201 465 E HN 0.550 nan 8.360 nan 0.000 0.425 466 L N 3.677 124.851 121.223 -0.081 0.000 2.514 466 L HA -0.033 4.307 4.340 0.000 0.000 0.280 466 L C 1.513 178.320 176.870 -0.104 0.000 1.223 466 L CA -0.222 54.573 54.840 -0.074 0.000 0.864 466 L CB 0.204 42.231 42.059 -0.054 0.000 1.118 466 L HN 0.646 nan 8.230 nan 0.000 0.494 467 I N 1.507 122.022 120.570 -0.091 0.000 2.226 467 I HA -0.185 3.985 4.170 0.000 0.000 0.245 467 I C 1.059 177.122 176.117 -0.089 0.000 1.100 467 I CA 1.438 62.672 61.300 -0.109 0.000 1.374 467 I CB -0.645 37.309 38.000 -0.078 0.000 1.057 467 I HN 0.748 nan 8.210 nan 0.000 0.413 468 N N 0.452 119.117 118.700 -0.057 0.000 2.483 468 N HA 0.347 5.087 4.740 0.000 0.000 0.267 468 N C 0.702 176.193 175.510 -0.031 0.000 0.998 468 N CA 0.033 53.058 53.050 -0.041 0.000 0.918 468 N CB 1.692 40.164 38.487 -0.025 0.000 1.215 468 N HN 0.027 nan 8.380 nan 0.000 0.500 469 A N 2.887 125.687 122.820 -0.033 0.000 2.121 469 A HA -0.082 4.238 4.320 0.000 0.000 0.218 469 A C 0.870 178.451 177.584 -0.006 0.000 1.154 469 A CA 1.135 53.158 52.037 -0.023 0.000 0.679 469 A CB -0.028 18.958 19.000 -0.024 0.000 0.795 469 A HN 0.734 nan 8.150 nan 0.000 0.458 470 D N -0.979 119.420 120.400 -0.002 0.000 2.340 470 D HA 0.158 4.798 4.640 0.000 0.000 0.217 470 D C 0.353 176.664 176.300 0.019 0.000 1.081 470 D CA -0.111 53.895 54.000 0.010 0.000 0.842 470 D CB 0.041 40.846 40.800 0.008 0.000 0.934 470 D HN 0.136 nan 8.370 nan 0.000 0.511 471 V N 1.593 121.517 119.914 0.017 0.000 2.694 471 V HA -0.074 4.046 4.120 0.000 0.000 0.306 471 V C 0.361 176.483 176.094 0.047 0.000 1.054 471 V CA 0.223 62.543 62.300 0.033 0.000 1.161 471 V CB 0.708 32.550 31.823 0.033 0.000 0.916 471 V HN -0.001 nan 8.190 nan 0.000 0.490 472 E N 5.165 125.405 120.200 0.067 0.000 2.319 472 E HA 0.361 4.711 4.350 0.000 0.000 0.268 472 E C -0.066 176.588 176.600 0.090 0.000 1.050 472 E CA -0.525 55.920 56.400 0.075 0.000 0.878 472 E CB 1.344 31.090 29.700 0.076 0.000 1.066 472 E HN 0.637 nan 8.360 nan 0.000 0.406 473 I N 3.869 124.492 120.570 0.089 0.000 2.662 473 I HA -0.034 4.136 4.170 0.000 0.000 0.285 473 I C -1.762 174.421 176.117 0.109 0.000 1.161 473 I CA -1.151 60.212 61.300 0.105 0.000 1.415 473 I CB -0.173 37.914 38.000 0.145 0.000 1.385 473 I HN 0.113 nan 8.210 nan 0.000 0.552 474 P HA 0.092 nan 4.420 nan 0.000 0.272 474 P C -0.386 176.930 177.300 0.027 0.000 1.223 474 P CA -0.449 62.629 63.100 -0.037 0.000 0.784 474 P CB 0.515 32.016 31.700 -0.332 0.000 0.923 475 E N 0.955 121.128 120.200 -0.044 0.000 2.418 475 E HA 0.083 4.433 4.350 0.000 0.000 0.261 475 E C -0.595 176.035 176.600 0.051 0.000 1.070 475 E CA 0.088 56.440 56.400 -0.080 0.000 0.931 475 E CB -0.085 29.607 29.700 -0.013 0.000 0.954 475 E HN 0.110 nan 8.360 nan 0.000 0.439 476 F N 1.390 121.408 119.950 0.113 0.000 2.490 476 F HA 0.079 4.606 4.527 0.000 0.000 0.336 476 F C 0.971 176.773 175.800 0.004 0.000 1.178 476 F CA -0.382 57.661 58.000 0.071 0.000 1.301 476 F CB 0.022 38.957 39.000 -0.109 0.000 1.175 476 F HN 0.369 nan 8.300 nan 0.000 0.593 477 D N 2.253 122.769 120.400 0.192 0.000 2.367 477 D HA 0.058 4.698 4.640 0.000 0.000 0.255 477 D C 0.882 177.171 176.300 -0.018 0.000 1.300 477 D CA 0.228 54.269 54.000 0.069 0.000 0.959 477 D CB 0.145 40.965 40.800 0.034 0.000 1.064 477 D HN 0.494 nan 8.370 nan 0.000 0.509 478 L N 2.710 123.934 121.223 0.001 0.000 2.456 478 L HA -0.133 4.207 4.340 0.000 0.000 0.224 478 L C 2.327 179.156 176.870 -0.068 0.000 1.148 478 L CA 0.837 55.625 54.840 -0.086 0.000 0.825 478 L CB -0.466 41.678 42.059 0.142 0.000 0.937 478 L HN 0.373 nan 8.230 nan 0.000 0.450 479 S N -0.654 115.043 115.700 -0.005 0.000 2.515 479 S HA -0.078 4.392 4.470 0.000 0.000 0.231 479 S C 1.918 176.560 174.600 0.070 0.000 0.987 479 S CA 0.313 58.545 58.200 0.052 0.000 0.936 479 S CB -0.205 63.031 63.200 0.060 0.000 0.766 479 S HN 0.434 nan 8.310 nan 0.000 0.528 480 R N -0.459 120.021 120.500 -0.033 0.000 2.297 480 R HA 0.194 4.534 4.340 0.000 0.000 0.197 480 R C -0.477 175.801 176.300 -0.037 0.000 0.943 480 R CA -0.214 55.923 56.100 0.062 0.000 1.038 480 R CB -0.135 30.147 30.300 -0.031 0.000 0.957 480 R HN 0.417 nan 8.270 nan 0.000 0.484 481 Y N 0.802 121.015 120.300 -0.145 0.000 2.987 481 Y HA -0.112 4.438 4.550 0.000 0.000 0.339 481 Y C 1.777 177.166 175.900 -0.852 0.000 1.272 481 Y CA 1.708 59.574 58.100 -0.390 0.000 1.562 481 Y CB 0.071 38.347 38.460 -0.308 0.000 1.253 481 Y HN 0.408 nan 8.280 nan 0.000 0.604 482 G N 1.679 109.931 108.800 -0.913 0.000 2.241 482 G HA2 -0.328 3.633 3.960 0.000 0.000 0.244 482 G HA3 -0.328 3.633 3.960 0.000 0.000 0.244 482 G C 0.841 175.304 174.900 -0.730 0.000 0.998 482 G CA 0.299 44.400 45.100 -1.664 0.000 0.621 482 G HN 0.609 nan 8.290 nan 0.000 0.519 483 F N 1.258 121.072 119.950 -0.227 0.000 2.664 483 F HA 0.414 4.941 4.527 0.000 0.000 0.296 483 F C 2.089 177.956 175.800 0.113 0.000 1.125 483 F CA 1.799 59.826 58.000 0.044 0.000 1.444 483 F CB 0.566 39.627 39.000 0.101 0.000 1.114 483 F HN 0.751 nan 8.300 nan 0.000 0.576 484 G N -0.344 108.531 108.800 0.126 0.000 2.113 484 G HA2 -0.042 3.918 3.960 0.000 0.000 0.082 484 G HA3 -0.042 3.918 3.960 0.000 0.000 0.082 484 G C -1.297 173.588 174.900 -0.026 0.000 1.155 484 G CA -0.932 44.200 45.100 0.053 0.000 1.241 484 G HN -0.195 nan 8.290 nan 0.000 0.453 485 L N 2.206 123.416 121.223 -0.022 0.000 2.410 485 L HA 0.388 4.728 4.340 0.000 0.000 0.273 485 L C 1.054 177.907 176.870 -0.028 0.000 1.152 485 L CA -0.027 54.791 54.840 -0.037 0.000 0.855 485 L CB 0.830 42.897 42.059 0.013 0.000 1.129 485 L HN 0.489 nan 8.230 nan 0.000 0.463 486 M N 3.685 123.185 119.600 -0.166 0.000 2.232 486 M HA 0.161 4.641 4.480 0.000 0.000 0.321 486 M C 0.139 176.583 176.300 0.240 0.000 1.101 486 M CA 0.363 55.512 55.300 -0.252 0.000 1.181 486 M CB 0.388 32.340 32.600 -1.081 0.000 1.432 486 M HN 0.491 nan 8.290 nan 0.000 0.457 487 Q N 1.956 121.885 119.800 0.215 0.000 2.377 487 Q HA 0.540 4.880 4.340 0.000 0.000 0.271 487 Q C -2.312 173.903 176.000 0.360 0.000 1.077 487 Q CA -1.829 54.127 55.803 0.255 0.000 0.820 487 Q CB 2.423 31.203 28.738 0.069 0.000 1.347 487 Q HN 0.354 nan 8.270 nan 0.000 0.444 488 P HA 0.019 nan 4.420 nan 0.000 0.282 488 P C -0.371 176.937 177.300 0.012 0.000 1.249 488 P CA -0.115 63.090 63.100 0.176 0.000 0.806 488 P CB 0.781 32.383 31.700 -0.163 0.000 0.984 489 E N 1.930 122.126 120.200 -0.007 0.000 2.274 489 E HA -0.141 4.210 4.350 0.000 0.000 0.194 489 E C -0.134 176.476 176.600 0.018 0.000 0.996 489 E CA 0.721 57.122 56.400 0.001 0.000 0.840 489 E CB -0.621 29.109 29.700 0.050 0.000 0.772 489 E HN 0.695 nan 8.360 nan 0.000 0.491 490 H N -2.150 116.935 119.070 0.026 0.000 3.016 490 H HA 0.454 5.011 4.556 0.000 0.000 0.362 490 H C -1.191 174.116 175.328 -0.035 0.000 1.233 490 H CA -1.281 54.762 56.048 -0.008 0.000 1.124 490 H CB 0.855 30.622 29.762 0.009 0.000 1.850 490 H HN -0.185 nan 8.280 nan 0.000 0.549 491 D N 0.308 120.755 120.400 0.077 0.000 2.371 491 D HA 0.246 4.886 4.640 0.000 0.000 0.242 491 D C -0.421 175.967 176.300 0.147 0.000 1.218 491 D CA -0.309 53.690 54.000 -0.001 0.000 0.945 491 D CB 1.430 42.221 40.800 -0.015 0.000 1.137 491 D HN 0.352 nan 8.370 nan 0.000 0.464 492 V N 3.283 123.290 119.914 0.156 0.000 2.357 492 V HA 0.286 4.406 4.120 0.000 0.000 0.284 492 V C -2.181 173.978 176.094 0.108 0.000 1.018 492 V CA -1.645 60.749 62.300 0.157 0.000 0.841 492 V CB 1.523 33.443 31.823 0.162 0.000 0.991 492 V HN 0.464 nan 8.190 nan 0.000 0.437 493 P HA 0.215 nan 4.420 nan 0.000 0.267 493 P C -0.554 176.755 177.300 0.015 0.000 1.209 493 P CA 0.278 63.404 63.100 0.043 0.000 0.763 493 P CB 0.746 32.458 31.700 0.020 0.000 0.816 494 V N 1.595 121.519 119.914 0.017 0.000 3.141 494 V HA 0.820 4.941 4.120 0.000 0.000 0.312 494 V C -0.485 175.608 176.094 -0.002 0.000 1.157 494 V CA -1.312 60.974 62.300 -0.023 0.000 1.041 494 V CB 2.499 34.287 31.823 -0.058 0.000 1.071 494 V HN 0.549 nan 8.190 nan 0.000 0.441 495 R N 1.274 121.756 120.500 -0.031 0.000 2.750 495 R HA 0.816 5.156 4.340 0.000 0.000 0.281 495 R C -1.581 174.877 176.300 0.263 0.000 0.972 495 R CA -0.679 55.454 56.100 0.055 0.000 0.912 495 R CB 1.979 32.187 30.300 -0.154 0.000 1.187 495 R HN 1.079 nan 8.270 nan 0.000 0.464 496 Y N -0.535 119.928 120.300 0.272 0.000 2.609 496 Y HA 0.714 5.264 4.550 0.000 0.000 0.342 496 Y C -1.330 174.689 175.900 0.198 0.000 1.058 496 Y CA -1.354 56.906 58.100 0.267 0.000 1.055 496 Y CB 1.832 40.298 38.460 0.011 0.000 1.292 496 Y HN 0.972 nan 8.280 nan 0.000 0.476 497 R N 2.044 122.507 120.500 -0.060 0.000 2.739 497 R HA 0.613 4.953 4.340 0.000 0.000 0.271 497 R C -1.765 174.479 176.300 -0.094 0.000 1.010 497 R CA -1.018 54.866 56.100 -0.359 0.000 0.897 497 R CB 1.673 31.454 30.300 -0.865 0.000 1.236 497 R HN 0.816 nan 8.270 nan 0.000 0.466 498 I N 2.327 122.858 120.570 -0.066 0.000 2.742 498 I HA -0.006 4.164 4.170 0.000 0.000 0.287 498 I C 0.888 176.910 176.117 -0.157 0.000 1.186 498 I CA 0.223 61.496 61.300 -0.045 0.000 1.417 498 I CB 0.273 38.261 38.000 -0.021 0.000 1.377 498 I HN 0.489 nan 8.210 nan 0.000 0.556 499 R N 8.575 129.005 120.500 -0.116 0.000 2.502 499 R HA 0.045 4.385 4.340 0.000 0.000 0.292 499 R C -1.512 174.680 176.300 -0.180 0.000 0.998 499 R CA -0.899 55.107 56.100 -0.155 0.000 1.056 499 R CB 0.584 30.830 30.300 -0.090 0.000 0.939 499 R HN 0.369 nan 8.270 nan 0.000 0.411 500 P HA -0.029 nan 4.420 nan 0.000 0.233 500 P C -0.554 176.405 177.300 -0.568 0.000 1.167 500 P CA 1.051 63.884 63.100 -0.444 0.000 0.770 500 P CB 0.286 31.631 31.700 -0.591 0.000 0.837 501 H N 0.000 119.037 119.070 -0.055 0.000 2.539 501 H HA 0.000 4.556 4.556 0.000 0.000 0.296 501 H CA 0.000 56.029 56.048 -0.032 0.000 1.023 501 H CB 0.000 29.748 29.762 -0.023 0.000 1.292 501 H HN 0.000 nan 8.280 nan 0.000 0.496