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 3a51_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALTTTGTEQH DLFSGTFWQN PHPAYAALRA EDPVRKLALP DGPVWLLTRY DATA SEQUENCE ADVREAFVDP RLSKDWRHRL PEDQRADMPA TPTPMMILMD PPDHTRLRKL DATA SEQUENCE VGRSFTVRRM NELEPRITEI ADGLLAGLPT DGPVDLMREY AFQIPVQVIC DATA SEQUENCE ELLGLPAEDR DDFSAWSSVL VDDSPADDKN AAMGKLHGYL SDLLERKRTE DATA SEQUENCE PDDALLSSLL AVSDMDGDRL SQEELVAMAM LLLIAGHETT VNLIGNGVLA DATA SEQUENCE LLTHPDQRKL LAEDPSLISS AVEEFLRFDS PVSQAPIRFT AEDVTYSGVT DATA SEQUENCE IPAGEMVMLG LAAANRDADW MPEPDRLDIT RDASGGVFFG HGIHFCLGAQ DATA SEQUENCE LARLEGRVAI GRLFADRPEL ALAVGLDELV YRRSTLVRGL SRMPVTMGPR DATA SEQUENCE SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.562 177.584 -0.036 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 L N 1.230 122.422 121.223 -0.051 0.000 2.325 3 L HA 0.727 5.064 4.340 -0.006 0.000 0.279 3 L C 0.521 177.348 176.870 -0.070 0.000 1.054 3 L CA -0.190 54.611 54.840 -0.064 0.000 0.804 3 L CB 1.710 43.725 42.059 -0.073 0.000 1.200 3 L HN 1.048 nan 8.230 nan 0.000 0.436 4 T N -2.441 112.079 114.554 -0.058 0.000 2.864 4 T HA 0.433 4.779 4.350 -0.006 0.000 0.299 4 T C -0.233 174.449 174.700 -0.030 0.000 1.166 4 T CA -0.829 61.242 62.100 -0.047 0.000 1.007 4 T CB 1.713 70.552 68.868 -0.047 0.000 1.219 4 T HN 0.582 nan 8.240 nan 0.000 0.506 5 T N 0.669 115.223 114.554 -0.000 0.000 2.901 5 T HA 0.490 4.836 4.350 -0.006 0.000 0.301 5 T C 0.806 175.509 174.700 0.005 0.000 1.012 5 T CA -0.405 61.711 62.100 0.026 0.000 1.135 5 T CB 0.145 69.071 68.868 0.096 0.000 0.936 5 T HN 1.040 nan 8.240 nan 0.000 0.539 6 T N 0.200 114.759 114.554 0.008 0.000 2.849 6 T HA 0.686 5.032 4.350 -0.006 0.000 0.284 6 T C 0.934 175.642 174.700 0.013 0.000 1.004 6 T CA 0.014 62.114 62.100 0.002 0.000 1.021 6 T CB 0.752 69.622 68.868 0.002 0.000 1.013 6 T HN 1.812 nan 8.240 nan 0.000 0.527 7 G N 0.968 109.771 108.800 0.005 0.000 2.384 7 G HA2 -0.116 3.840 3.960 -0.006 0.000 0.200 7 G HA3 -0.116 3.840 3.960 -0.006 0.000 0.200 7 G C 0.826 175.726 174.900 0.001 0.000 1.205 7 G CA 0.721 45.829 45.100 0.012 0.000 1.116 7 G HN 1.622 nan 8.290 nan 0.000 0.547 8 T N -1.334 113.225 114.554 0.009 0.000 2.915 8 T HA 0.239 4.586 4.350 -0.006 0.000 0.269 8 T C 0.738 175.425 174.700 -0.022 0.000 1.071 8 T CA 2.141 64.241 62.100 0.000 0.000 1.132 8 T CB -0.080 68.797 68.868 0.014 0.000 0.878 8 T HN 0.656 nan 8.240 nan 0.000 0.479 9 E N 0.863 121.046 120.200 -0.027 0.000 2.210 9 E HA 0.466 4.813 4.350 -0.006 0.000 0.266 9 E C -1.401 175.076 176.600 -0.206 0.000 0.883 9 E CA -0.754 55.573 56.400 -0.122 0.000 0.761 9 E CB 1.693 31.362 29.700 -0.052 0.000 1.156 9 E HN 0.131 nan 8.360 nan 0.000 0.412 10 Q N 2.527 122.143 119.800 -0.308 0.000 2.340 10 Q HA 0.296 4.632 4.340 -0.006 0.000 0.259 10 Q C -1.056 174.684 176.000 -0.434 0.000 0.964 10 Q CA -0.088 55.561 55.803 -0.257 0.000 0.900 10 Q CB 0.757 29.407 28.738 -0.148 0.000 1.228 10 Q HN 0.393 nan 8.270 nan 0.000 0.449 11 H N 0.934 119.979 119.070 -0.042 0.000 2.637 11 H HA 0.299 4.852 4.556 -0.006 0.000 0.363 11 H C -0.764 174.518 175.328 -0.077 0.000 1.131 11 H CA -0.866 55.147 56.048 -0.059 0.000 1.183 11 H CB 1.645 31.368 29.762 -0.065 0.000 1.637 11 H HN 0.534 nan 8.280 nan 0.000 0.531 12 D N 2.201 122.619 120.400 0.030 0.000 2.423 12 D HA 0.102 4.739 4.640 -0.006 0.000 0.238 12 D C 0.190 176.405 176.300 -0.142 0.000 1.142 12 D CA 0.275 54.240 54.000 -0.060 0.000 0.884 12 D CB 1.177 41.933 40.800 -0.073 0.000 1.199 12 D HN 0.266 nan 8.370 nan 0.000 0.438 13 L N 2.457 123.512 121.223 -0.279 0.000 2.343 13 L HA 0.243 4.580 4.340 -0.006 0.000 0.278 13 L C -0.153 176.296 176.870 -0.701 0.000 0.996 13 L CA -0.803 53.667 54.840 -0.618 0.000 0.831 13 L CB 0.816 42.702 42.059 -0.290 0.000 1.232 13 L HN 0.394 nan 8.230 nan 0.000 0.413 14 F N 1.150 120.158 119.950 -1.570 0.000 3.091 14 F HA -0.302 4.223 4.527 -0.004 0.000 0.288 14 F C 0.575 176.016 175.800 -0.598 0.000 0.907 14 F CA 1.003 58.251 58.000 -1.252 0.000 1.028 14 F CB -1.817 36.775 39.000 -0.681 0.000 1.022 14 F HN 0.642 nan 8.300 nan 0.000 0.665 15 S N -2.738 112.635 115.700 -0.545 0.000 2.643 15 S HA 0.741 5.208 4.470 -0.006 0.000 0.266 15 S C 0.347 174.849 174.600 -0.163 0.000 1.130 15 S CA -0.197 57.941 58.200 -0.103 0.000 0.817 15 S CB 1.391 64.603 63.200 0.019 0.000 1.107 15 S HN 1.762 nan 8.310 nan 0.000 0.471 16 G N 1.637 110.464 108.800 0.045 0.000 2.622 16 G HA2 -0.374 3.582 3.960 -0.006 0.000 0.307 16 G HA3 -0.374 3.582 3.960 -0.006 0.000 0.307 16 G C 1.128 176.041 174.900 0.022 0.000 1.226 16 G CA 1.956 47.080 45.100 0.040 0.000 0.997 16 G HN 2.344 nan 8.290 nan 0.000 0.551 17 T N -1.523 113.018 114.554 -0.021 0.000 3.035 17 T HA 0.150 4.496 4.350 -0.006 0.000 0.268 17 T C 2.073 176.692 174.700 -0.134 0.000 1.109 17 T CA 1.766 63.844 62.100 -0.037 0.000 1.119 17 T CB -0.126 68.725 68.868 -0.029 0.000 0.900 17 T HN 0.789 nan 8.240 nan 0.000 0.503 18 F N 0.840 120.535 119.950 -0.425 0.000 2.161 18 F HA 0.024 4.549 4.527 -0.004 0.000 0.300 18 F C 1.726 177.159 175.800 -0.613 0.000 1.089 18 F CA 0.960 58.555 58.000 -0.676 0.000 1.282 18 F CB -0.392 38.004 39.000 -1.006 0.000 1.010 18 F HN 0.186 nan 8.300 nan 0.000 0.485 19 W N -0.066 121.189 121.300 -0.075 0.000 2.402 19 W HA -0.135 4.522 4.660 -0.006 0.000 0.286 19 W C 2.524 178.866 176.519 -0.294 0.000 1.221 19 W CA 0.691 57.961 57.345 -0.125 0.000 1.257 19 W CB -0.618 28.876 29.460 0.057 0.000 1.120 19 W HN 0.041 nan 8.180 nan 0.000 0.551 20 Q N 0.616 120.402 119.800 -0.022 0.000 2.049 20 Q HA -0.116 4.220 4.340 -0.006 0.000 0.198 20 Q C 0.230 176.011 176.000 -0.365 0.000 0.971 20 Q CA 1.277 57.025 55.803 -0.092 0.000 0.833 20 Q CB -0.081 28.673 28.738 0.027 0.000 0.896 20 Q HN -0.008 nan 8.270 nan 0.000 0.434 21 N N -1.046 117.410 118.700 -0.406 0.000 2.699 21 N HA 0.167 4.904 4.740 -0.006 0.000 0.271 21 N C -2.668 172.436 175.510 -0.677 0.000 1.216 21 N CA -1.340 51.441 53.050 -0.449 0.000 0.844 21 N CB 1.674 40.027 38.487 -0.223 0.000 1.462 21 N HN -0.073 nan 8.380 nan 0.000 0.555 22 P HA 0.048 nan 4.420 nan 0.000 0.245 22 P C 0.688 177.220 177.300 -1.279 0.000 1.206 22 P CA 0.575 62.645 63.100 -1.717 0.000 0.781 22 P CB 0.345 30.520 31.700 -2.541 0.000 0.994 23 H N 0.659 119.359 119.070 -0.617 0.000 2.357 23 H HA 0.036 4.591 4.556 -0.003 0.000 0.301 23 H C -0.535 174.622 175.328 -0.284 0.000 1.082 23 H CA 1.559 57.418 56.048 -0.314 0.000 1.342 23 H CB -1.979 27.653 29.762 -0.217 0.000 1.389 23 H HN 0.253 nan 8.280 nan 0.000 0.511 24 P HA -0.113 nan 4.420 nan 0.000 0.215 24 P C 1.642 178.601 177.300 -0.568 0.000 1.153 24 P CA 1.808 64.653 63.100 -0.425 0.000 0.853 24 P CB -0.106 31.249 31.700 -0.575 0.000 0.788 25 A N -1.217 121.258 122.820 -0.575 0.000 1.883 25 A HA -0.251 4.066 4.320 -0.006 0.000 0.217 25 A C 2.064 179.611 177.584 -0.062 0.000 1.186 25 A CA 1.622 53.488 52.037 -0.286 0.000 0.624 25 A CB -2.030 16.871 19.000 -0.166 0.000 0.822 25 A HN 0.096 nan 8.150 nan 0.000 0.444 26 Y N -0.064 120.190 120.300 -0.077 0.000 2.151 26 Y HA -0.176 4.370 4.550 -0.007 0.000 0.284 26 Y C 2.957 178.861 175.900 0.007 0.000 1.166 26 Y CA 0.485 58.577 58.100 -0.014 0.000 1.163 26 Y CB -1.177 37.265 38.460 -0.030 0.000 0.974 26 Y HN 0.344 nan 8.280 nan 0.000 0.511 27 A N -0.283 122.620 122.820 0.137 0.000 1.930 27 A HA -0.017 4.300 4.320 -0.006 0.000 0.217 27 A C 2.492 180.130 177.584 0.090 0.000 1.175 27 A CA 1.651 53.746 52.037 0.097 0.000 0.627 27 A CB -1.071 17.959 19.000 0.051 0.000 0.815 27 A HN 0.370 nan 8.150 nan 0.000 0.443 28 A N -0.192 122.676 122.820 0.080 0.000 1.930 28 A HA 0.045 4.361 4.320 -0.006 0.000 0.217 28 A C 2.138 179.790 177.584 0.113 0.000 1.175 28 A CA 1.269 53.378 52.037 0.119 0.000 0.627 28 A CB -0.539 18.589 19.000 0.213 0.000 0.815 28 A HN 0.459 nan 8.150 nan 0.000 0.443 29 L N -0.919 120.378 121.223 0.124 0.000 1.989 29 L HA -0.226 4.111 4.340 -0.006 0.000 0.211 29 L C 2.895 179.833 176.870 0.113 0.000 1.071 29 L CA 1.665 56.580 54.840 0.125 0.000 0.749 29 L CB -0.590 41.568 42.059 0.166 0.000 0.890 29 L HN 0.365 nan 8.230 nan 0.000 0.431 30 R N -0.103 120.468 120.500 0.118 0.000 2.091 30 R HA -0.175 4.162 4.340 -0.006 0.000 0.238 30 R C 2.380 178.735 176.300 0.092 0.000 1.136 30 R CA 1.521 57.683 56.100 0.104 0.000 0.959 30 R CB -0.513 29.852 30.300 0.109 0.000 0.856 30 R HN 0.394 nan 8.270 nan 0.000 0.437 31 A N 0.838 123.711 122.820 0.088 0.000 1.897 31 A HA -0.133 4.183 4.320 -0.006 0.000 0.215 31 A C 1.494 179.120 177.584 0.071 0.000 1.181 31 A CA 1.287 53.369 52.037 0.076 0.000 0.620 31 A CB 0.021 19.065 19.000 0.073 0.000 0.821 31 A HN 0.329 nan 8.150 nan 0.000 0.443 32 E N -2.312 117.932 120.200 0.073 0.000 2.606 32 E HA 0.090 4.437 4.350 -0.006 0.000 0.224 32 E C -0.860 175.779 176.600 0.065 0.000 0.930 32 E CA 0.086 56.524 56.400 0.064 0.000 1.125 32 E CB 0.797 30.532 29.700 0.057 0.000 1.123 32 E HN 0.319 nan 8.360 nan 0.000 0.522 33 D N 0.391 120.836 120.400 0.076 0.000 3.285 33 D HA 0.060 4.697 4.640 -0.006 0.000 0.273 33 D C -2.113 174.244 176.300 0.094 0.000 1.295 33 D CA -1.282 52.765 54.000 0.078 0.000 0.762 33 D CB 0.914 41.753 40.800 0.064 0.000 1.379 33 D HN -0.077 nan 8.370 nan 0.000 0.612 34 P HA -0.005 nan 4.420 nan 0.000 0.233 34 P C 0.231 177.594 177.300 0.105 0.000 1.167 34 P CA 0.323 63.481 63.100 0.096 0.000 0.770 34 P CB 0.794 32.549 31.700 0.091 0.000 0.837 35 V N 1.382 121.381 119.914 0.141 0.000 2.320 35 V HA 0.311 4.427 4.120 -0.006 0.000 0.268 35 V C 0.031 176.302 176.094 0.295 0.000 1.021 35 V CA -0.713 61.712 62.300 0.207 0.000 0.813 35 V CB 1.025 32.966 31.823 0.197 0.000 1.054 35 V HN -0.049 nan 8.190 nan 0.000 0.444 36 R N 3.372 124.000 120.500 0.214 0.000 2.338 36 R HA 0.476 4.813 4.340 -0.006 0.000 0.317 36 R C -0.407 175.811 176.300 -0.137 0.000 0.968 36 R CA -0.470 55.664 56.100 0.056 0.000 0.849 36 R CB 1.068 31.389 30.300 0.036 0.000 1.128 36 R HN 0.539 nan 8.270 nan 0.000 0.448 37 K N 5.009 125.067 120.400 -0.569 0.000 2.276 37 K HA 0.262 4.579 4.320 -0.006 0.000 0.285 37 K C -0.855 175.431 176.600 -0.523 0.000 1.062 37 K CA -0.348 55.312 56.287 -1.045 0.000 0.918 37 K CB 0.495 32.054 32.500 -1.568 0.000 1.055 37 K HN 0.581 nan 8.250 nan 0.000 0.477 38 L N 3.819 124.790 121.223 -0.420 0.000 2.265 38 L HA 0.344 4.681 4.340 -0.006 0.000 0.289 38 L C 0.200 176.918 176.870 -0.254 0.000 1.033 38 L CA -0.682 53.995 54.840 -0.273 0.000 0.814 38 L CB 1.660 43.567 42.059 -0.254 0.000 1.203 38 L HN 0.688 nan 8.230 nan 0.000 0.423 39 A N 6.152 128.855 122.820 -0.196 0.000 2.990 39 A HA 0.459 4.776 4.320 -0.006 0.000 0.282 39 A C 0.112 177.626 177.584 -0.117 0.000 1.688 39 A CA -0.308 51.638 52.037 -0.150 0.000 1.391 39 A CB -0.670 18.258 19.000 -0.119 0.000 1.112 39 A HN 0.640 nan 8.150 nan 0.000 0.588 40 L N 1.306 122.452 121.223 -0.128 0.000 2.456 40 L HA 0.255 4.592 4.340 -0.006 0.000 0.257 40 L C -1.129 175.706 176.870 -0.057 0.000 1.162 40 L CA -1.856 52.923 54.840 -0.102 0.000 0.808 40 L CB 0.476 42.447 42.059 -0.148 0.000 1.136 40 L HN 0.302 nan 8.230 nan 0.000 0.466 41 P HA -0.164 nan 4.420 nan 0.000 0.214 41 P C 0.444 177.740 177.300 -0.007 0.000 1.163 41 P CA 1.191 64.285 63.100 -0.009 0.000 0.889 41 P CB 0.136 31.843 31.700 0.010 0.000 0.790 42 D N -1.044 119.353 120.400 -0.005 0.000 2.378 42 D HA 0.220 4.856 4.640 -0.006 0.000 0.227 42 D C 1.132 177.433 176.300 0.003 0.000 1.012 42 D CA 0.982 54.986 54.000 0.006 0.000 0.905 42 D CB -0.290 40.521 40.800 0.017 0.000 0.895 42 D HN 0.217 nan 8.370 nan 0.000 0.532 43 G N 0.769 109.559 108.800 -0.017 0.000 2.362 43 G HA2 -0.026 3.931 3.960 -0.006 0.000 0.656 43 G HA3 -0.026 3.931 3.960 -0.006 0.000 0.656 43 G C -3.049 171.824 174.900 -0.046 0.000 1.376 43 G CA -1.178 43.912 45.100 -0.016 0.000 0.971 43 G HN -0.161 nan 8.290 nan 0.000 0.636 44 P HA 0.532 nan 4.420 nan 0.000 0.275 44 P C -0.448 176.794 177.300 -0.097 0.000 1.227 44 P CA -0.205 62.823 63.100 -0.120 0.000 0.781 44 P CB 1.661 33.279 31.700 -0.137 0.000 0.906 45 V N 3.186 122.996 119.914 -0.174 0.000 2.638 45 V HA 0.305 4.422 4.120 -0.006 0.000 0.306 45 V C -0.466 175.533 176.094 -0.158 0.000 1.052 45 V CA -0.544 61.694 62.300 -0.103 0.000 0.885 45 V CB 1.589 33.328 31.823 -0.140 0.000 0.999 45 V HN 0.532 nan 8.190 nan 0.000 0.424 46 W N 4.204 125.437 121.300 -0.111 0.000 2.303 46 W HA 0.723 5.379 4.660 -0.006 0.000 0.334 46 W C -0.341 176.113 176.519 -0.108 0.000 1.197 46 W CA -0.436 56.853 57.345 -0.093 0.000 1.262 46 W CB 0.970 30.381 29.460 -0.081 0.000 1.153 46 W HN 0.394 nan 8.180 nan 0.000 0.596 47 L N 3.269 124.592 121.223 0.166 0.000 2.441 47 L HA 0.523 4.860 4.340 -0.006 0.000 0.270 47 L C -1.635 175.280 176.870 0.075 0.000 0.973 47 L CA -0.825 54.064 54.840 0.081 0.000 0.842 47 L CB 0.868 42.987 42.059 0.100 0.000 1.239 47 L HN 0.202 nan 8.230 nan 0.000 0.406 48 L N 4.260 125.474 121.223 -0.016 0.000 2.275 48 L HA 0.600 4.936 4.340 -0.006 0.000 0.288 48 L C 1.228 178.062 176.870 -0.059 0.000 1.046 48 L CA 0.364 55.167 54.840 -0.061 0.000 0.805 48 L CB 1.647 43.581 42.059 -0.208 0.000 1.193 48 L HN 0.828 nan 8.230 nan 0.000 0.426 49 T N -1.330 113.216 114.554 -0.014 0.000 2.975 49 T HA 0.278 4.625 4.350 -0.006 0.000 0.257 49 T C 0.886 175.594 174.700 0.013 0.000 1.003 49 T CA -0.324 61.768 62.100 -0.013 0.000 0.932 49 T CB 0.114 69.007 68.868 0.041 0.000 1.087 49 T HN 0.296 nan 8.240 nan 0.000 0.512 50 R N 0.543 121.061 120.500 0.030 0.000 2.441 50 R HA 0.356 4.693 4.340 -0.006 0.000 0.284 50 R C 0.599 176.937 176.300 0.063 0.000 1.070 50 R CA -0.499 55.647 56.100 0.077 0.000 1.047 50 R CB 0.546 30.901 30.300 0.092 0.000 1.016 50 R HN 0.201 nan 8.270 nan 0.000 0.477 51 Y N 2.843 123.140 120.300 -0.005 0.000 2.145 51 Y HA -0.281 4.267 4.550 -0.002 0.000 0.286 51 Y C 2.048 177.896 175.900 -0.086 0.000 1.145 51 Y CA 2.242 60.292 58.100 -0.084 0.000 1.148 51 Y CB -0.095 38.314 38.460 -0.085 0.000 0.981 51 Y HN 0.768 nan 8.280 nan 0.000 0.507 52 A N 0.018 122.919 122.820 0.134 0.000 1.933 52 A HA -0.186 4.130 4.320 -0.006 0.000 0.218 52 A C 1.867 179.454 177.584 0.006 0.000 1.175 52 A CA 2.013 54.088 52.037 0.063 0.000 0.628 52 A CB -0.782 18.302 19.000 0.140 0.000 0.814 52 A HN 0.552 nan 8.150 nan 0.000 0.444 53 D N -0.311 120.103 120.400 0.022 0.000 2.084 53 D HA -0.085 4.552 4.640 -0.006 0.000 0.196 53 D C 2.128 178.312 176.300 -0.194 0.000 0.985 53 D CA 1.404 55.413 54.000 0.014 0.000 0.826 53 D CB -0.619 40.179 40.800 -0.002 0.000 0.978 53 D HN 0.181 nan 8.370 nan 0.000 0.456 54 V N 0.951 120.725 119.914 -0.233 0.000 2.255 54 V HA -0.264 3.852 4.120 -0.006 0.000 0.247 54 V C 2.588 178.575 176.094 -0.179 0.000 1.051 54 V CA 1.858 63.990 62.300 -0.281 0.000 1.018 54 V CB -0.445 31.236 31.823 -0.237 0.000 0.641 54 V HN 0.138 nan 8.190 nan 0.000 0.445 55 R N -0.287 120.035 120.500 -0.297 0.000 2.083 55 R HA -0.242 4.094 4.340 -0.006 0.000 0.237 55 R C 2.443 178.778 176.300 0.058 0.000 1.137 55 R CA 2.246 58.205 56.100 -0.235 0.000 0.951 55 R CB -0.288 29.617 30.300 -0.658 0.000 0.851 55 R HN 0.683 nan 8.270 nan 0.000 0.434 56 E N -0.371 119.840 120.200 0.019 0.000 2.106 56 E HA -0.168 4.179 4.350 -0.006 0.000 0.192 56 E C 1.766 178.449 176.600 0.137 0.000 0.984 56 E CA 1.016 57.492 56.400 0.127 0.000 0.806 56 E CB -0.089 29.706 29.700 0.158 0.000 0.750 56 E HN 0.464 nan 8.360 nan 0.000 0.458 57 A N 0.400 123.212 122.820 -0.013 0.000 1.948 57 A HA -0.199 4.118 4.320 -0.006 0.000 0.220 57 A C 1.900 179.419 177.584 -0.107 0.000 1.177 57 A CA 1.295 53.227 52.037 -0.174 0.000 0.636 57 A CB -1.017 17.643 19.000 -0.566 0.000 0.815 57 A HN 0.429 nan 8.150 nan 0.000 0.449 58 F N -0.383 119.548 119.950 -0.032 0.000 2.333 58 F HA -0.122 4.402 4.527 -0.006 0.000 0.300 58 F C 1.871 177.666 175.800 -0.008 0.000 1.083 58 F CA 1.463 59.463 58.000 -0.000 0.000 1.395 58 F CB 0.255 39.295 39.000 0.068 0.000 1.056 58 F HN 0.194 nan 8.300 nan 0.000 0.529 59 V N -3.664 116.358 119.914 0.180 0.000 3.214 59 V HA 0.224 4.341 4.120 -0.006 0.000 0.330 59 V C -0.363 175.770 176.094 0.065 0.000 1.403 59 V CA -0.371 61.976 62.300 0.079 0.000 1.143 59 V CB -0.198 31.648 31.823 0.039 0.000 1.098 59 V HN -0.015 nan 8.190 nan 0.000 0.463 60 D N 2.700 123.142 120.400 0.070 0.000 2.396 60 D HA 0.382 5.019 4.640 -0.006 0.000 0.225 60 D C -1.301 175.018 176.300 0.031 0.000 1.121 60 D CA -2.234 51.803 54.000 0.061 0.000 0.853 60 D CB 2.250 43.121 40.800 0.119 0.000 1.043 60 D HN 0.199 nan 8.370 nan 0.000 0.500 61 P HA -0.056 nan 4.420 nan 0.000 0.230 61 P C 0.952 178.246 177.300 -0.011 0.000 1.158 61 P CA 0.426 63.534 63.100 0.014 0.000 0.769 61 P CB 0.398 32.107 31.700 0.015 0.000 0.807 62 R N -0.474 120.013 120.500 -0.022 0.000 2.189 62 R HA 0.067 4.404 4.340 -0.006 0.000 0.223 62 R C 0.923 177.176 176.300 -0.079 0.000 1.092 62 R CA 0.470 56.533 56.100 -0.062 0.000 0.989 62 R CB -0.477 29.796 30.300 -0.045 0.000 0.876 62 R HN 0.252 nan 8.270 nan 0.000 0.457 63 L N 1.696 122.891 121.223 -0.046 0.000 2.352 63 L HA 0.167 4.504 4.340 -0.006 0.000 0.272 63 L C 0.117 176.975 176.870 -0.019 0.000 1.109 63 L CA -0.376 54.427 54.840 -0.063 0.000 0.952 63 L CB 1.180 43.172 42.059 -0.111 0.000 1.314 63 L HN -0.023 nan 8.230 nan 0.000 0.427 64 S N 1.466 117.183 115.700 0.028 0.000 2.646 64 S HA 0.331 4.798 4.470 -0.006 0.000 0.276 64 S C 1.026 175.778 174.600 0.255 0.000 1.222 64 S CA -0.679 57.596 58.200 0.125 0.000 1.014 64 S CB 1.094 64.356 63.200 0.105 0.000 0.991 64 S HN 0.439 nan 8.310 nan 0.000 0.533 65 K N 1.373 121.918 120.400 0.242 0.000 2.404 65 K HA 0.142 4.458 4.320 -0.006 0.000 0.194 65 K C -0.224 176.581 176.600 0.341 0.000 1.023 65 K CA 0.093 56.549 56.287 0.282 0.000 1.094 65 K CB -0.304 32.246 32.500 0.084 0.000 0.841 65 K HN 0.565 nan 8.250 nan 0.000 0.523 66 D N 1.434 122.015 120.400 0.302 0.000 2.352 66 D HA -0.047 4.589 4.640 -0.006 0.000 0.245 66 D C 1.117 177.344 176.300 -0.122 0.000 1.224 66 D CA -0.443 53.648 54.000 0.153 0.000 0.879 66 D CB 0.362 41.254 40.800 0.153 0.000 1.057 66 D HN 0.112 nan 8.370 nan 0.000 0.491 67 W N 5.189 126.034 121.300 -0.759 0.000 2.538 67 W HA -0.034 4.622 4.660 -0.006 0.000 0.254 67 W C 0.924 176.998 176.519 -0.741 0.000 1.249 67 W CA -0.033 56.454 57.345 -1.429 0.000 1.253 67 W CB -0.992 27.986 29.460 -0.804 0.000 1.130 67 W HN 0.375 nan 8.180 nan 0.000 0.618 68 R N -0.128 120.179 120.500 -0.322 0.000 2.237 68 R HA -0.102 4.235 4.340 -0.006 0.000 0.219 68 R C 1.635 177.725 176.300 -0.351 0.000 1.080 68 R CA 1.393 57.247 56.100 -0.411 0.000 0.995 68 R CB -0.691 29.426 30.300 -0.304 0.000 0.875 68 R HN 0.361 nan 8.270 nan 0.000 0.462 69 H N -0.111 118.856 119.070 -0.170 0.000 2.518 69 H HA 0.007 4.559 4.556 -0.005 0.000 0.289 69 H C 1.779 177.086 175.328 -0.036 0.000 1.051 69 H CA 0.911 56.922 56.048 -0.062 0.000 1.280 69 H CB 0.163 29.945 29.762 0.034 0.000 1.380 69 H HN 0.076 nan 8.280 nan 0.000 0.566 70 R N 0.175 120.675 120.500 -0.000 0.000 2.148 70 R HA -0.007 4.330 4.340 -0.006 0.000 0.227 70 R C 0.129 176.410 176.300 -0.031 0.000 1.103 70 R CA 0.481 56.599 56.100 0.031 0.000 0.983 70 R CB 0.007 30.312 30.300 0.007 0.000 0.874 70 R HN 0.249 nan 8.270 nan 0.000 0.451 71 L N 2.449 123.610 121.223 -0.104 0.000 2.399 71 L HA 0.285 4.622 4.340 -0.006 0.000 0.266 71 L C -1.941 174.890 176.870 -0.066 0.000 1.114 71 L CA -2.349 52.424 54.840 -0.111 0.000 0.804 71 L CB 0.631 42.582 42.059 -0.180 0.000 1.146 71 L HN -0.118 nan 8.230 nan 0.000 0.451 72 P HA 0.028 nan 4.420 nan 0.000 0.272 72 P C 0.189 177.460 177.300 -0.049 0.000 1.223 72 P CA -0.257 62.822 63.100 -0.034 0.000 0.784 72 P CB 0.796 32.478 31.700 -0.030 0.000 0.923 73 E N 0.992 121.172 120.200 -0.033 0.000 2.114 73 E HA -0.244 4.103 4.350 -0.006 0.000 0.199 73 E C 1.097 177.669 176.600 -0.047 0.000 1.008 73 E CA 1.678 58.054 56.400 -0.040 0.000 0.810 73 E CB -0.387 29.301 29.700 -0.021 0.000 0.739 73 E HN 0.488 nan 8.360 nan 0.000 0.456 74 D N 0.090 120.466 120.400 -0.039 0.000 2.332 74 D HA -0.176 4.460 4.640 -0.006 0.000 0.209 74 D C 1.373 177.642 176.300 -0.053 0.000 0.988 74 D CA 1.059 55.035 54.000 -0.040 0.000 0.912 74 D CB 0.034 40.814 40.800 -0.034 0.000 0.899 74 D HN 0.231 nan 8.370 nan 0.000 0.477 75 Q N -1.373 118.385 119.800 -0.071 0.000 2.140 75 Q HA 0.205 4.542 4.340 -0.006 0.000 0.227 75 Q C 1.524 177.456 176.000 -0.113 0.000 0.798 75 Q CA -0.118 55.631 55.803 -0.090 0.000 0.987 75 Q CB 0.917 29.594 28.738 -0.102 0.000 1.161 75 Q HN 0.285 nan 8.270 nan 0.000 0.480 76 R N 0.186 120.621 120.500 -0.109 0.000 2.173 76 R HA 0.192 4.529 4.340 -0.006 0.000 0.208 76 R C 2.087 178.328 176.300 -0.098 0.000 1.035 76 R CA 0.819 56.840 56.100 -0.132 0.000 1.004 76 R CB 0.045 30.259 30.300 -0.143 0.000 0.917 76 R HN 0.096 nan 8.270 nan 0.000 0.462 77 A N 1.809 124.586 122.820 -0.072 0.000 1.892 77 A HA -0.211 4.106 4.320 -0.006 0.000 0.218 77 A C 1.376 178.934 177.584 -0.043 0.000 1.188 77 A CA 1.915 53.922 52.037 -0.049 0.000 0.631 77 A CB -0.337 18.639 19.000 -0.039 0.000 0.822 77 A HN 0.123 nan 8.150 nan 0.000 0.447 78 D N -1.107 119.263 120.400 -0.050 0.000 2.355 78 D HA 0.084 4.720 4.640 -0.006 0.000 0.218 78 D C 0.329 176.605 176.300 -0.040 0.000 1.004 78 D CA 0.371 54.347 54.000 -0.041 0.000 0.880 78 D CB 0.010 40.784 40.800 -0.044 0.000 0.911 78 D HN 0.241 nan 8.370 nan 0.000 0.528 79 M N 1.509 121.076 119.600 -0.056 0.000 2.318 79 M HA 0.319 4.796 4.480 -0.006 0.000 0.347 79 M C -2.192 174.121 176.300 0.021 0.000 1.175 79 M CA -2.386 52.879 55.300 -0.058 0.000 1.075 79 M CB 0.950 33.452 32.600 -0.163 0.000 1.614 79 M HN -0.244 nan 8.290 nan 0.000 0.456 80 P HA 0.225 nan 4.420 nan 0.000 0.274 80 P C 0.004 177.488 177.300 0.307 0.000 1.237 80 P CA -0.179 63.020 63.100 0.165 0.000 0.793 80 P CB 0.514 32.319 31.700 0.174 0.000 0.977 81 A N 1.637 124.572 122.820 0.191 0.000 2.067 81 A HA 0.059 4.376 4.320 -0.006 0.000 0.219 81 A C 1.088 178.729 177.584 0.095 0.000 1.158 81 A CA 1.728 53.870 52.037 0.176 0.000 0.661 81 A CB -0.906 18.137 19.000 0.072 0.000 0.801 81 A HN 0.769 nan 8.150 nan 0.000 0.452 82 T N -6.279 108.241 114.554 -0.056 0.000 2.868 82 T HA 0.525 4.872 4.350 -0.006 0.000 0.306 82 T C -2.603 171.749 174.700 -0.581 0.000 1.224 82 T CA -0.949 60.803 62.100 -0.579 0.000 1.012 82 T CB 2.002 70.679 68.868 -0.319 0.000 1.221 82 T HN -0.091 nan 8.240 nan 0.000 0.499 83 P HA 0.138 nan 4.420 nan 0.000 0.222 83 P C 0.481 177.652 177.300 -0.215 0.000 1.153 83 P CA 0.873 63.669 63.100 -0.506 0.000 0.798 83 P CB 0.154 31.520 31.700 -0.557 0.000 0.796 84 T N -0.237 114.184 114.554 -0.223 0.000 3.105 84 T HA 0.348 4.695 4.350 -0.006 0.000 0.321 84 T C -3.093 171.551 174.700 -0.093 0.000 1.135 84 T CA -1.980 60.058 62.100 -0.104 0.000 1.053 84 T CB 1.899 70.732 68.868 -0.058 0.000 1.133 84 T HN -0.221 nan 8.240 nan 0.000 0.463 85 P HA 0.225 nan 4.420 nan 0.000 0.232 85 P C -0.250 177.046 177.300 -0.006 0.000 1.738 85 P CA -0.194 62.891 63.100 -0.025 0.000 0.948 85 P CB -0.551 31.149 31.700 0.001 0.000 1.943 86 M N 1.411 121.001 119.600 -0.017 0.000 2.277 86 M HA 0.311 4.788 4.480 -0.006 0.000 0.350 86 M C 2.110 178.437 176.300 0.044 0.000 1.180 86 M CA -0.592 54.714 55.300 0.010 0.000 1.103 86 M CB 1.601 34.201 32.600 -0.000 0.000 1.577 86 M HN 0.026 nan 8.290 nan 0.000 0.459 87 M N 1.215 120.863 119.600 0.081 0.000 2.279 87 M HA -0.065 4.411 4.480 -0.006 0.000 0.264 87 M C 1.502 177.990 176.300 0.314 0.000 1.062 87 M CA 1.806 57.216 55.300 0.184 0.000 1.099 87 M CB -0.528 32.153 32.600 0.135 0.000 1.394 87 M HN 0.722 nan 8.290 nan 0.000 0.426 88 I N 1.189 121.868 120.570 0.182 0.000 2.916 88 I HA -0.122 4.045 4.170 -0.006 0.000 0.267 88 I C 1.082 177.172 176.117 -0.045 0.000 1.263 88 I CA 0.851 62.202 61.300 0.084 0.000 1.471 88 I CB 0.144 38.161 38.000 0.029 0.000 1.089 88 I HN 0.380 nan 8.210 nan 0.000 0.468 89 L N 0.211 121.441 121.223 0.012 0.000 2.818 89 L HA 0.326 4.663 4.340 -0.006 0.000 0.243 89 L C -0.004 176.879 176.870 0.022 0.000 1.185 89 L CA -0.131 54.692 54.840 -0.029 0.000 0.988 89 L CB -0.119 41.868 42.059 -0.120 0.000 1.292 89 L HN 0.126 nan 8.230 nan 0.000 0.519 90 M N -0.912 118.763 119.600 0.125 0.000 2.591 90 M HA 0.417 4.893 4.480 -0.006 0.000 0.306 90 M C -1.154 175.286 176.300 0.234 0.000 1.190 90 M CA -0.688 54.712 55.300 0.167 0.000 0.889 90 M CB 2.519 35.230 32.600 0.184 0.000 1.728 90 M HN -0.157 nan 8.290 nan 0.000 0.458 91 D N 1.205 121.716 120.400 0.185 0.000 2.440 91 D HA 0.526 5.163 4.640 -0.006 0.000 0.258 91 D C -2.414 173.982 176.300 0.160 0.000 1.092 91 D CA -1.330 52.767 54.000 0.162 0.000 1.016 91 D CB 0.642 41.528 40.800 0.143 0.000 1.141 91 D HN 0.160 nan 8.370 nan 0.000 0.552 92 P HA 0.119 nan 4.420 nan 0.000 0.269 92 P C -1.651 175.698 177.300 0.082 0.000 1.215 92 P CA -0.698 62.467 63.100 0.108 0.000 0.780 92 P CB 0.159 31.904 31.700 0.075 0.000 0.898 93 P HA -0.045 nan 4.420 nan 0.000 0.231 93 P C 0.427 177.756 177.300 0.048 0.000 1.168 93 P CA 1.027 64.157 63.100 0.050 0.000 0.779 93 P CB 0.208 31.927 31.700 0.031 0.000 0.844 94 D N -0.800 119.638 120.400 0.062 0.000 2.144 94 D HA -0.181 4.455 4.640 -0.006 0.000 0.200 94 D C 1.933 178.262 176.300 0.048 0.000 0.978 94 D CA 0.975 55.004 54.000 0.048 0.000 0.833 94 D CB -0.786 40.046 40.800 0.053 0.000 0.961 94 D HN 0.374 nan 8.370 nan 0.000 0.470 95 H N 1.042 120.125 119.070 0.021 0.000 2.319 95 H HA -0.101 4.451 4.556 -0.006 0.000 0.299 95 H C 1.441 176.752 175.328 -0.028 0.000 1.092 95 H CA 1.990 58.042 56.048 0.007 0.000 1.302 95 H CB 0.151 29.908 29.762 -0.009 0.000 1.373 95 H HN 0.027 nan 8.280 nan 0.000 0.497 96 T N 1.115 115.623 114.554 -0.076 0.000 2.684 96 T HA -0.195 4.151 4.350 -0.006 0.000 0.267 96 T C 2.147 176.756 174.700 -0.152 0.000 1.036 96 T CA 1.701 63.730 62.100 -0.117 0.000 1.148 96 T CB -0.261 68.604 68.868 -0.005 0.000 0.863 96 T HN 0.377 nan 8.240 nan 0.000 0.436 97 R N 0.661 121.104 120.500 -0.095 0.000 2.070 97 R HA -0.002 4.334 4.340 -0.006 0.000 0.233 97 R C 2.446 178.690 176.300 -0.093 0.000 1.137 97 R CA 1.285 57.343 56.100 -0.071 0.000 0.945 97 R CB -0.455 29.823 30.300 -0.036 0.000 0.845 97 R HN 0.355 nan 8.270 nan 0.000 0.430 98 L N 0.211 121.365 121.223 -0.116 0.000 2.093 98 L HA -0.112 4.225 4.340 -0.006 0.000 0.208 98 L C 2.786 179.569 176.870 -0.144 0.000 1.085 98 L CA 1.109 55.888 54.840 -0.102 0.000 0.755 98 L CB -0.352 41.662 42.059 -0.075 0.000 0.904 98 L HN 0.172 nan 8.230 nan 0.000 0.435 99 R N 1.013 121.344 120.500 -0.281 0.000 2.075 99 R HA -0.185 4.152 4.340 -0.006 0.000 0.232 99 R C 2.201 178.418 176.300 -0.140 0.000 1.126 99 R CA 1.703 57.641 56.100 -0.270 0.000 0.963 99 R CB -0.380 29.618 30.300 -0.503 0.000 0.858 99 R HN 0.181 nan 8.270 nan 0.000 0.435 100 K N 0.006 120.330 120.400 -0.126 0.000 2.063 100 K HA -0.160 4.156 4.320 -0.006 0.000 0.208 100 K C 2.057 178.637 176.600 -0.033 0.000 1.048 100 K CA 1.719 57.967 56.287 -0.064 0.000 0.928 100 K CB -0.307 32.160 32.500 -0.056 0.000 0.713 100 K HN 0.321 nan 8.250 nan 0.000 0.442 101 L N 0.323 121.524 121.223 -0.037 0.000 1.988 101 L HA -0.139 4.198 4.340 -0.006 0.000 0.207 101 L C 2.250 179.132 176.870 0.019 0.000 1.071 101 L CA 1.286 56.120 54.840 -0.010 0.000 0.744 101 L CB -0.316 41.734 42.059 -0.015 0.000 0.893 101 L HN 0.108 nan 8.230 nan 0.000 0.433 102 V N 0.043 119.970 119.914 0.022 0.000 2.667 102 V HA -0.089 4.027 4.120 -0.006 0.000 0.252 102 V C 2.354 178.546 176.094 0.162 0.000 1.065 102 V CA 1.540 63.895 62.300 0.092 0.000 1.083 102 V CB -0.309 31.555 31.823 0.068 0.000 0.692 102 V HN 0.662 nan 8.190 nan 0.000 0.468 103 G N -0.353 108.490 108.800 0.072 0.000 2.462 103 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.220 103 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.220 103 G C 1.624 176.601 174.900 0.129 0.000 1.121 103 G CA 0.715 45.870 45.100 0.091 0.000 0.758 103 G HN 0.469 nan 8.290 nan 0.000 0.559 104 R N 0.216 120.769 120.500 0.088 0.000 2.193 104 R HA 0.034 4.370 4.340 -0.006 0.000 0.229 104 R C 2.205 178.539 176.300 0.057 0.000 1.110 104 R CA 1.198 57.333 56.100 0.058 0.000 0.988 104 R CB 0.054 30.372 30.300 0.031 0.000 0.871 104 R HN 0.296 nan 8.270 nan 0.000 0.458 105 S N -0.997 114.762 115.700 0.099 0.000 2.540 105 S HA 0.160 4.626 4.470 -0.006 0.000 0.218 105 S C -0.060 174.444 174.600 -0.160 0.000 0.977 105 S CA -0.011 58.178 58.200 -0.019 0.000 0.918 105 S CB 0.398 63.574 63.200 -0.042 0.000 0.806 105 S HN 0.128 nan 8.310 nan 0.000 0.496 106 F N 2.766 122.710 119.950 -0.010 0.000 2.855 106 F HA 0.219 4.742 4.527 -0.006 0.000 0.317 106 F C 1.230 177.026 175.800 -0.007 0.000 1.169 106 F CA -0.767 57.227 58.000 -0.009 0.000 1.299 106 F CB -0.308 38.686 39.000 -0.011 0.000 0.962 106 F HN -0.005 nan 8.300 nan 0.000 0.506 107 T N -3.167 111.436 114.554 0.082 0.000 2.856 107 T HA 0.118 4.465 4.350 -0.006 0.000 0.306 107 T C 1.526 176.249 174.700 0.038 0.000 1.062 107 T CA -0.505 61.627 62.100 0.053 0.000 1.083 107 T CB 1.411 70.292 68.868 0.022 0.000 0.984 107 T HN -0.016 nan 8.240 nan 0.000 0.542 108 V N 2.856 122.792 119.914 0.036 0.000 2.282 108 V HA -0.247 3.870 4.120 -0.006 0.000 0.249 108 V C 3.071 179.175 176.094 0.017 0.000 1.057 108 V CA 2.412 64.730 62.300 0.031 0.000 1.032 108 V CB -1.062 30.777 31.823 0.027 0.000 0.645 108 V HN 0.985 nan 8.190 nan 0.000 0.447 109 R N 0.337 120.841 120.500 0.007 0.000 2.120 109 R HA -0.149 4.187 4.340 -0.006 0.000 0.234 109 R C 2.211 178.503 176.300 -0.014 0.000 1.123 109 R CA 1.198 57.297 56.100 -0.002 0.000 0.975 109 R CB -0.646 29.651 30.300 -0.004 0.000 0.866 109 R HN 0.358 nan 8.270 nan 0.000 0.446 110 R N 0.729 121.214 120.500 -0.025 0.000 2.073 110 R HA 0.047 4.383 4.340 -0.006 0.000 0.234 110 R C 2.348 178.612 176.300 -0.061 0.000 1.134 110 R CA 1.268 57.334 56.100 -0.057 0.000 0.952 110 R CB -0.554 29.689 30.300 -0.095 0.000 0.850 110 R HN 0.309 nan 8.270 nan 0.000 0.433 111 M N 1.112 120.688 119.600 -0.039 0.000 2.132 111 M HA -0.062 4.415 4.480 -0.006 0.000 0.263 111 M C 1.555 177.849 176.300 -0.010 0.000 1.065 111 M CA 1.186 56.470 55.300 -0.027 0.000 1.122 111 M CB -1.062 31.550 32.600 0.020 0.000 1.365 111 M HN 0.064 nan 8.290 nan 0.000 0.411 112 N N 1.331 120.031 118.700 0.000 0.000 2.223 112 N HA -0.179 4.558 4.740 -0.006 0.000 0.185 112 N C 1.426 176.934 175.510 -0.002 0.000 1.016 112 N CA 1.317 54.370 53.050 0.006 0.000 0.863 112 N CB -0.360 38.134 38.487 0.011 0.000 0.983 112 N HN 0.620 nan 8.380 nan 0.000 0.429 113 E N 0.611 120.803 120.200 -0.013 0.000 2.472 113 E HA -0.080 4.267 4.350 -0.006 0.000 0.200 113 E C 1.402 177.991 176.600 -0.019 0.000 1.046 113 E CA 0.433 56.824 56.400 -0.016 0.000 0.871 113 E CB -0.275 29.413 29.700 -0.021 0.000 0.806 113 E HN 0.360 nan 8.360 nan 0.000 0.533 114 L N 0.714 121.924 121.223 -0.021 0.000 2.509 114 L HA 0.035 4.371 4.340 -0.006 0.000 0.222 114 L C 2.483 179.348 176.870 -0.008 0.000 1.123 114 L CA 0.517 55.344 54.840 -0.021 0.000 0.856 114 L CB -0.285 41.756 42.059 -0.029 0.000 0.985 114 L HN 0.208 nan 8.230 nan 0.000 0.456 115 E N 1.350 121.550 120.200 -0.000 0.000 2.070 115 E HA -0.226 4.120 4.350 -0.006 0.000 0.197 115 E C -0.576 176.029 176.600 0.008 0.000 1.004 115 E CA 1.630 58.035 56.400 0.009 0.000 0.805 115 E CB -0.509 29.200 29.700 0.015 0.000 0.744 115 E HN 0.264 nan 8.360 nan 0.000 0.451 116 P HA -0.197 nan 4.420 nan 0.000 0.215 116 P C 1.104 178.406 177.300 0.004 0.000 1.157 116 P CA 1.690 64.794 63.100 0.006 0.000 0.874 116 P CB -0.078 31.624 31.700 0.003 0.000 0.790 117 R N 0.070 120.568 120.500 -0.003 0.000 2.075 117 R HA -0.037 4.300 4.340 -0.006 0.000 0.232 117 R C 2.189 178.485 176.300 -0.007 0.000 1.126 117 R CA 1.434 57.530 56.100 -0.006 0.000 0.963 117 R CB -1.567 28.725 30.300 -0.012 0.000 0.858 117 R HN 0.135 nan 8.270 nan 0.000 0.435 118 I N -0.022 120.543 120.570 -0.008 0.000 2.208 118 I HA -0.291 3.875 4.170 -0.006 0.000 0.245 118 I C 1.793 177.909 176.117 -0.001 0.000 1.097 118 I CA 1.895 63.188 61.300 -0.012 0.000 1.363 118 I CB -0.530 37.465 38.000 -0.008 0.000 1.051 118 I HN 0.231 nan 8.210 nan 0.000 0.413 119 T N -0.129 114.433 114.554 0.013 0.000 2.720 119 T HA -0.259 4.088 4.350 -0.006 0.000 0.268 119 T C 1.798 176.515 174.700 0.028 0.000 1.037 119 T CA 1.696 63.812 62.100 0.027 0.000 1.144 119 T CB -0.303 68.583 68.868 0.029 0.000 0.864 119 T HN 0.453 nan 8.240 nan 0.000 0.444 120 E N 0.540 120.751 120.200 0.017 0.000 2.077 120 E HA -0.124 4.223 4.350 -0.006 0.000 0.193 120 E C 2.139 178.749 176.600 0.017 0.000 0.989 120 E CA 0.990 57.400 56.400 0.017 0.000 0.800 120 E CB -0.240 29.466 29.700 0.010 0.000 0.746 120 E HN 0.498 nan 8.360 nan 0.000 0.452 121 I N 1.022 121.595 120.570 0.004 0.000 2.179 121 I HA -0.274 3.893 4.170 -0.006 0.000 0.242 121 I C 2.612 178.734 176.117 0.008 0.000 1.088 121 I CA 1.178 62.475 61.300 -0.006 0.000 1.357 121 I CB -0.353 37.627 38.000 -0.034 0.000 1.051 121 I HN 0.186 nan 8.210 nan 0.000 0.409 122 A N 0.468 123.295 122.820 0.012 0.000 1.883 122 A HA -0.263 4.054 4.320 -0.006 0.000 0.217 122 A C 1.994 179.674 177.584 0.160 0.000 1.186 122 A CA 2.244 54.326 52.037 0.075 0.000 0.624 122 A CB -0.722 18.328 19.000 0.083 0.000 0.822 122 A HN 0.355 nan 8.150 nan 0.000 0.444 123 D N -0.396 120.062 120.400 0.097 0.000 2.123 123 D HA -0.088 4.549 4.640 -0.006 0.000 0.196 123 D C 2.078 178.418 176.300 0.066 0.000 0.992 123 D CA 1.473 55.520 54.000 0.078 0.000 0.833 123 D CB -0.743 40.087 40.800 0.050 0.000 0.954 123 D HN 0.440 nan 8.370 nan 0.000 0.455 124 G N 0.782 109.616 108.800 0.056 0.000 2.421 124 G HA2 -0.210 3.747 3.960 -0.006 0.000 0.216 124 G HA3 -0.210 3.747 3.960 -0.006 0.000 0.216 124 G C 1.814 176.751 174.900 0.062 0.000 1.171 124 G CA 0.449 45.576 45.100 0.045 0.000 0.775 124 G HN 0.256 nan 8.290 nan 0.000 0.543 125 L N -0.092 121.189 121.223 0.097 0.000 2.012 125 L HA -0.095 4.242 4.340 -0.006 0.000 0.210 125 L C 2.952 179.904 176.870 0.136 0.000 1.073 125 L CA 0.814 55.742 54.840 0.147 0.000 0.748 125 L CB -0.482 41.718 42.059 0.235 0.000 0.891 125 L HN 0.180 nan 8.230 nan 0.000 0.431 126 L N -0.524 120.778 121.223 0.132 0.000 2.046 126 L HA -0.200 4.136 4.340 -0.006 0.000 0.208 126 L C 2.840 179.702 176.870 -0.013 0.000 1.077 126 L CA 1.178 56.018 54.840 -0.000 0.000 0.747 126 L CB -0.717 41.331 42.059 -0.018 0.000 0.896 126 L HN 0.252 nan 8.230 nan 0.000 0.432 127 A N 0.066 122.893 122.820 0.013 0.000 1.972 127 A HA -0.098 4.219 4.320 -0.006 0.000 0.219 127 A C 2.272 179.856 177.584 -0.000 0.000 1.169 127 A CA 1.583 53.621 52.037 0.002 0.000 0.635 127 A CB -1.018 17.988 19.000 0.010 0.000 0.810 127 A HN 0.449 nan 8.150 nan 0.000 0.446 128 G N -1.015 107.792 108.800 0.011 0.000 2.920 128 G HA2 0.312 4.268 3.960 -0.006 0.000 0.208 128 G HA3 0.312 4.268 3.960 -0.006 0.000 0.208 128 G C 0.489 175.388 174.900 -0.002 0.000 1.159 128 G CA -0.200 44.905 45.100 0.008 0.000 0.784 128 G HN 0.393 nan 8.290 nan 0.000 0.535 129 L N 2.020 123.233 121.223 -0.016 0.000 2.326 129 L HA 0.325 4.661 4.340 -0.006 0.000 0.278 129 L C -1.649 175.196 176.870 -0.042 0.000 1.092 129 L CA -1.902 52.917 54.840 -0.035 0.000 0.810 129 L CB 1.412 43.428 42.059 -0.071 0.000 1.153 129 L HN -0.009 nan 8.230 nan 0.000 0.439 130 P HA 0.147 nan 4.420 nan 0.000 0.276 130 P C 0.109 177.381 177.300 -0.046 0.000 1.244 130 P CA -0.432 62.646 63.100 -0.036 0.000 0.801 130 P CB 1.196 32.878 31.700 -0.031 0.000 1.006 131 T N 0.502 115.032 114.554 -0.040 0.000 2.812 131 T HA -0.101 4.246 4.350 -0.006 0.000 0.264 131 T C 0.624 175.297 174.700 -0.044 0.000 1.042 131 T CA 2.083 64.157 62.100 -0.044 0.000 1.140 131 T CB -0.365 68.482 68.868 -0.035 0.000 0.870 131 T HN 0.662 nan 8.240 nan 0.000 0.445 132 D N -0.903 119.475 120.400 -0.036 0.000 2.453 132 D HA 0.228 4.865 4.640 -0.006 0.000 0.256 132 D C 1.029 177.310 176.300 -0.032 0.000 1.152 132 D CA -0.261 53.718 54.000 -0.035 0.000 0.818 132 D CB -0.674 40.108 40.800 -0.029 0.000 1.259 132 D HN 0.330 nan 8.370 nan 0.000 0.531 133 G N 1.550 110.332 108.800 -0.029 0.000 2.732 133 G HA2 0.351 4.307 3.960 -0.006 0.000 0.244 133 G HA3 0.351 4.307 3.960 -0.006 0.000 0.244 133 G C -2.005 172.876 174.900 -0.031 0.000 1.226 133 G CA -0.805 44.279 45.100 -0.027 0.000 0.860 133 G HN 0.035 nan 8.290 nan 0.000 0.583 134 P HA 0.230 nan 4.420 nan 0.000 0.268 134 P C -0.706 176.574 177.300 -0.033 0.000 1.204 134 P CA -0.086 62.995 63.100 -0.031 0.000 0.768 134 P CB 1.269 32.953 31.700 -0.027 0.000 0.842 135 V N 3.235 123.127 119.914 -0.037 0.000 2.577 135 V HA 0.164 4.280 4.120 -0.006 0.000 0.303 135 V C -0.109 175.965 176.094 -0.034 0.000 1.042 135 V CA -0.533 61.745 62.300 -0.036 0.000 0.872 135 V CB 1.860 33.654 31.823 -0.048 0.000 0.998 135 V HN 0.489 nan 8.190 nan 0.000 0.423 136 D N 3.781 124.165 120.400 -0.027 0.000 2.393 136 D HA 0.144 4.781 4.640 -0.006 0.000 0.232 136 D C 0.738 177.036 176.300 -0.003 0.000 1.192 136 D CA -0.270 53.714 54.000 -0.026 0.000 0.882 136 D CB 1.427 42.206 40.800 -0.036 0.000 1.038 136 D HN 0.377 nan 8.370 nan 0.000 0.499 137 L N 4.547 125.769 121.223 -0.002 0.000 2.265 137 L HA -0.131 4.206 4.340 -0.006 0.000 0.215 137 L C 1.767 178.693 176.870 0.093 0.000 1.117 137 L CA 1.277 56.140 54.840 0.038 0.000 0.782 137 L CB -0.262 41.800 42.059 0.003 0.000 0.914 137 L HN 0.494 nan 8.230 nan 0.000 0.441 138 M N -0.896 118.733 119.600 0.049 0.000 2.074 138 M HA -0.183 4.294 4.480 -0.006 0.000 0.259 138 M C 2.404 178.758 176.300 0.090 0.000 1.079 138 M CA 1.648 56.987 55.300 0.065 0.000 1.119 138 M CB -1.483 31.122 32.600 0.007 0.000 1.297 138 M HN 0.202 nan 8.290 nan 0.000 0.416 139 R N 0.462 120.967 120.500 0.009 0.000 2.127 139 R HA -0.150 4.186 4.340 -0.006 0.000 0.238 139 R C 1.586 177.936 176.300 0.082 0.000 1.134 139 R CA 1.577 57.664 56.100 -0.022 0.000 0.975 139 R CB 0.022 30.262 30.300 -0.100 0.000 0.865 139 R HN 0.516 nan 8.270 nan 0.000 0.447 140 E N -2.114 118.140 120.200 0.089 0.000 2.474 140 E HA -0.067 4.280 4.350 -0.006 0.000 0.194 140 E C 0.278 176.999 176.600 0.202 0.000 1.041 140 E CA 0.464 56.931 56.400 0.111 0.000 0.874 140 E CB 0.491 30.231 29.700 0.068 0.000 0.914 140 E HN 0.411 nan 8.360 nan 0.000 0.498 141 Y N -1.003 119.324 120.300 0.045 0.000 3.299 141 Y HA 0.260 4.806 4.550 -0.006 0.000 0.195 141 Y C 1.950 177.878 175.900 0.048 0.000 0.972 141 Y CA 0.660 58.779 58.100 0.031 0.000 1.633 141 Y CB -0.215 38.245 38.460 0.001 0.000 1.465 141 Y HN -0.050 nan 8.280 nan 0.000 0.367 142 A N 0.549 123.436 122.820 0.111 0.000 1.902 142 A HA -0.183 4.133 4.320 -0.006 0.000 0.217 142 A C 1.930 179.530 177.584 0.027 0.000 1.181 142 A CA 1.851 53.907 52.037 0.033 0.000 0.623 142 A CB -1.300 17.774 19.000 0.124 0.000 0.818 142 A HN 0.646 nan 8.150 nan 0.000 0.443 143 F N 0.358 120.281 119.950 -0.045 0.000 2.146 143 F HA -0.149 4.375 4.527 -0.006 0.000 0.298 143 F C 2.504 178.247 175.800 -0.095 0.000 1.096 143 F CA 1.918 59.886 58.000 -0.052 0.000 1.275 143 F CB -0.067 38.916 39.000 -0.028 0.000 1.008 143 F HN 0.182 nan 8.300 nan 0.000 0.480 144 Q N 0.556 120.341 119.800 -0.026 0.000 2.079 144 Q HA -0.124 4.212 4.340 -0.006 0.000 0.200 144 Q C 2.503 178.368 176.000 -0.226 0.000 0.974 144 Q CA 1.808 57.545 55.803 -0.110 0.000 0.840 144 Q CB -0.556 28.178 28.738 -0.007 0.000 0.898 144 Q HN 0.510 nan 8.270 nan 0.000 0.430 145 I N 1.494 121.907 120.570 -0.261 0.000 2.091 145 I HA -0.264 3.902 4.170 -0.006 0.000 0.239 145 I C -0.632 175.356 176.117 -0.215 0.000 1.061 145 I CA 1.472 62.624 61.300 -0.248 0.000 1.317 145 I CB -1.678 36.136 38.000 -0.311 0.000 1.031 145 I HN 0.151 nan 8.210 nan 0.000 0.401 146 P HA -0.079 nan 4.420 nan 0.000 0.218 146 P C 1.959 179.087 177.300 -0.286 0.000 1.149 146 P CA 1.123 64.098 63.100 -0.208 0.000 0.817 146 P CB -0.029 31.561 31.700 -0.183 0.000 0.785 147 V N 0.209 119.842 119.914 -0.468 0.000 2.358 147 V HA -0.235 3.881 4.120 -0.006 0.000 0.246 147 V C 2.673 178.603 176.094 -0.274 0.000 1.047 147 V CA 1.748 63.704 62.300 -0.573 0.000 1.035 147 V CB -1.222 30.054 31.823 -0.910 0.000 0.658 147 V HN 0.146 nan 8.190 nan 0.000 0.452 148 Q N -0.540 119.139 119.800 -0.203 0.000 2.084 148 Q HA -0.175 4.162 4.340 -0.006 0.000 0.202 148 Q C 2.354 178.310 176.000 -0.074 0.000 0.978 148 Q CA 1.804 57.547 55.803 -0.100 0.000 0.844 148 Q CB -0.342 28.346 28.738 -0.084 0.000 0.898 148 Q HN 0.545 nan 8.270 nan 0.000 0.426 149 V N 0.735 120.593 119.914 -0.092 0.000 2.358 149 V HA -0.239 3.878 4.120 -0.006 0.000 0.246 149 V C 2.141 178.208 176.094 -0.045 0.000 1.047 149 V CA 1.420 63.683 62.300 -0.061 0.000 1.035 149 V CB -0.372 31.416 31.823 -0.058 0.000 0.658 149 V HN 0.282 nan 8.190 nan 0.000 0.452 150 I N -0.601 119.935 120.570 -0.057 0.000 2.315 150 I HA -0.193 3.974 4.170 -0.006 0.000 0.248 150 I C 2.359 178.475 176.117 -0.000 0.000 1.117 150 I CA 1.395 62.685 61.300 -0.017 0.000 1.404 150 I CB -0.355 37.641 38.000 -0.006 0.000 1.071 150 I HN 0.311 nan 8.210 nan 0.000 0.419 151 C N 0.445 119.749 119.300 0.007 0.000 2.432 151 C HA -0.149 4.307 4.460 -0.006 0.000 0.277 151 C C 2.587 177.596 174.990 0.032 0.000 1.249 151 C CA 1.062 60.114 59.018 0.056 0.000 1.725 151 C CB -1.171 26.638 27.740 0.115 0.000 2.028 151 C HN 0.520 nan 8.230 nan 0.000 0.477 152 E N 0.253 120.458 120.200 0.009 0.000 2.072 152 E HA -0.202 4.144 4.350 -0.006 0.000 0.191 152 E C 1.995 178.585 176.600 -0.017 0.000 0.985 152 E CA 0.885 57.283 56.400 -0.002 0.000 0.801 152 E CB -0.292 29.401 29.700 -0.012 0.000 0.750 152 E HN 0.469 nan 8.360 nan 0.000 0.452 153 L N 0.863 122.069 121.223 -0.028 0.000 2.046 153 L HA -0.147 4.190 4.340 -0.006 0.000 0.208 153 L C 2.013 178.859 176.870 -0.040 0.000 1.077 153 L CA 1.559 56.367 54.840 -0.053 0.000 0.747 153 L CB -0.116 41.903 42.059 -0.067 0.000 0.896 153 L HN 0.103 nan 8.230 nan 0.000 0.432 154 L N -1.017 120.198 121.223 -0.013 0.000 2.209 154 L HA 0.219 4.555 4.340 -0.006 0.000 0.207 154 L C 1.199 178.068 176.870 -0.002 0.000 1.094 154 L CA 0.590 55.428 54.840 -0.004 0.000 0.790 154 L CB -0.604 41.455 42.059 0.000 0.000 0.932 154 L HN 0.495 nan 8.230 nan 0.000 0.447 155 G N 1.432 110.237 108.800 0.009 0.000 2.414 155 G HA2 -0.215 3.742 3.960 -0.006 0.000 0.256 155 G HA3 -0.215 3.742 3.960 -0.006 0.000 0.256 155 G C -0.329 174.602 174.900 0.051 0.000 1.128 155 G CA -0.442 44.672 45.100 0.024 0.000 0.944 155 G HN 0.142 nan 8.290 nan 0.000 0.500 156 L N 0.510 121.778 121.223 0.076 0.000 2.275 156 L HA 0.415 4.752 4.340 -0.006 0.000 0.288 156 L C -1.749 175.264 176.870 0.238 0.000 1.046 156 L CA -2.212 52.718 54.840 0.150 0.000 0.805 156 L CB 1.356 43.452 42.059 0.061 0.000 1.193 156 L HN -0.039 nan 8.230 nan 0.000 0.426 157 P HA 0.002 nan 4.420 nan 0.000 0.263 157 P C 0.369 177.814 177.300 0.241 0.000 1.195 157 P CA 0.054 63.297 63.100 0.237 0.000 0.762 157 P CB 1.112 32.964 31.700 0.253 0.000 0.799 158 A N 5.125 128.030 122.820 0.141 0.000 1.940 158 A HA -0.226 4.090 4.320 -0.006 0.000 0.219 158 A C 1.846 179.440 177.584 0.016 0.000 1.176 158 A CA 1.579 53.664 52.037 0.079 0.000 0.631 158 A CB -0.848 18.181 19.000 0.048 0.000 0.814 158 A HN 0.658 nan 8.150 nan 0.000 0.446 159 E N -0.098 120.122 120.200 0.034 0.000 2.333 159 E HA -0.199 4.148 4.350 -0.006 0.000 0.198 159 E C 0.067 176.634 176.600 -0.055 0.000 1.007 159 E CA 1.358 57.758 56.400 -0.001 0.000 0.845 159 E CB -0.410 29.308 29.700 0.030 0.000 0.766 159 E HN 0.581 nan 8.360 nan 0.000 0.507 160 D N 0.648 121.012 120.400 -0.060 0.000 2.369 160 D HA 0.107 4.744 4.640 -0.006 0.000 0.211 160 D C 1.643 177.422 176.300 -0.868 0.000 1.077 160 D CA -0.132 53.732 54.000 -0.226 0.000 0.842 160 D CB 0.059 40.931 40.800 0.121 0.000 0.947 160 D HN 0.176 nan 8.370 nan 0.000 0.509 161 R N 0.795 120.809 120.500 -0.809 0.000 2.091 161 R HA -0.123 4.213 4.340 -0.006 0.000 0.238 161 R C 1.283 177.085 176.300 -0.830 0.000 1.136 161 R CA 1.123 56.569 56.100 -1.089 0.000 0.959 161 R CB 0.019 30.103 30.300 -0.361 0.000 0.856 161 R HN 0.078 nan 8.270 nan 0.000 0.437 162 D N 0.364 120.451 120.400 -0.522 0.000 2.144 162 D HA -0.130 4.507 4.640 -0.006 0.000 0.199 162 D C 1.381 177.345 176.300 -0.560 0.000 0.984 162 D CA 1.117 54.876 54.000 -0.401 0.000 0.834 162 D CB -0.214 40.428 40.800 -0.263 0.000 0.955 162 D HN 0.196 nan 8.370 nan 0.000 0.465 163 D N 0.254 120.206 120.400 -0.746 0.000 2.077 163 D HA -0.115 4.522 4.640 -0.006 0.000 0.196 163 D C 2.085 177.411 176.300 -1.623 0.000 0.986 163 D CA 0.722 54.066 54.000 -1.092 0.000 0.829 163 D CB -0.502 39.736 40.800 -0.936 0.000 0.983 163 D HN 0.367 nan 8.370 nan 0.000 0.453 164 F N 1.641 120.926 119.950 -1.108 0.000 2.407 164 F HA 0.037 4.560 4.527 -0.006 0.000 0.299 164 F C 2.281 177.808 175.800 -0.455 0.000 1.097 164 F CA 0.802 58.355 58.000 -0.745 0.000 1.422 164 F CB -1.260 37.518 39.000 -0.370 0.000 1.067 164 F HN -0.109 nan 8.300 nan 0.000 0.539 165 S N 1.089 116.644 115.700 -0.242 0.000 2.382 165 S HA -0.080 4.386 4.470 -0.006 0.000 0.228 165 S C 2.204 176.769 174.600 -0.058 0.000 1.027 165 S CA 0.765 58.992 58.200 0.045 0.000 0.991 165 S CB -1.101 62.291 63.200 0.320 0.000 0.823 165 S HN 0.510 nan 8.310 nan 0.000 0.469 166 A N 1.216 123.875 122.820 -0.267 0.000 1.898 166 A HA 0.044 4.361 4.320 -0.006 0.000 0.216 166 A C 2.058 179.618 177.584 -0.041 0.000 1.181 166 A CA 1.213 53.127 52.037 -0.204 0.000 0.620 166 A CB -1.061 17.758 19.000 -0.301 0.000 0.819 166 A HN 0.750 nan 8.150 nan 0.000 0.442 167 W N -0.121 121.178 121.300 -0.000 0.000 2.381 167 W HA -0.055 4.602 4.660 -0.006 0.000 0.301 167 W C 2.893 179.415 176.519 0.004 0.000 1.205 167 W CA 0.737 58.087 57.345 0.007 0.000 1.285 167 W CB -1.574 27.896 29.460 0.017 0.000 1.133 167 W HN 0.412 nan 8.180 nan 0.000 0.521 168 S N 0.906 116.714 115.700 0.181 0.000 2.365 168 S HA -0.224 4.243 4.470 -0.006 0.000 0.225 168 S C 2.201 176.865 174.600 0.107 0.000 1.039 168 S CA 2.870 61.120 58.200 0.082 0.000 1.033 168 S CB -0.629 62.512 63.200 -0.097 0.000 0.887 168 S HN 0.273 nan 8.310 nan 0.000 0.447 169 S N 0.447 116.211 115.700 0.105 0.000 2.402 169 S HA -0.011 4.456 4.470 -0.006 0.000 0.229 169 S C 1.829 176.476 174.600 0.078 0.000 1.021 169 S CA 1.150 59.408 58.200 0.097 0.000 0.974 169 S CB -0.781 62.459 63.200 0.067 0.000 0.800 169 S HN 0.356 nan 8.310 nan 0.000 0.484 170 V N 2.057 122.022 119.914 0.086 0.000 2.490 170 V HA -0.072 4.045 4.120 -0.006 0.000 0.250 170 V C 2.368 178.506 176.094 0.074 0.000 1.061 170 V CA 1.539 63.886 62.300 0.078 0.000 1.064 170 V CB -0.790 31.095 31.823 0.102 0.000 0.670 170 V HN 0.491 nan 8.190 nan 0.000 0.461 171 L N -0.978 120.297 121.223 0.087 0.000 2.376 171 L HA -0.031 4.306 4.340 -0.006 0.000 0.219 171 L C 1.945 178.857 176.870 0.070 0.000 1.133 171 L CA 0.622 55.507 54.840 0.075 0.000 0.816 171 L CB -0.133 41.973 42.059 0.078 0.000 0.933 171 L HN 0.192 nan 8.230 nan 0.000 0.449 172 V N -1.111 118.848 119.914 0.075 0.000 3.645 172 V HA 0.042 4.158 4.120 -0.006 0.000 0.275 172 V C 0.300 176.438 176.094 0.073 0.000 1.356 172 V CA 0.289 62.638 62.300 0.081 0.000 1.051 172 V CB 0.192 32.074 31.823 0.099 0.000 0.828 172 V HN 0.491 nan 8.190 nan 0.000 0.441 173 D N -1.019 119.413 120.400 0.052 0.000 2.627 173 D HA 0.116 4.753 4.640 -0.006 0.000 0.259 173 D C 0.490 176.800 176.300 0.017 0.000 1.164 173 D CA -0.172 53.842 54.000 0.024 0.000 1.087 173 D CB 0.016 40.811 40.800 -0.009 0.000 1.217 173 D HN 0.043 nan 8.370 nan 0.000 0.630 174 D N -0.821 119.567 120.400 -0.019 0.000 2.346 174 D HA -0.013 4.624 4.640 -0.006 0.000 0.248 174 D C -0.366 175.939 176.300 0.007 0.000 1.173 174 D CA -0.292 53.708 54.000 -0.000 0.000 0.878 174 D CB -0.709 40.076 40.800 -0.024 0.000 0.919 174 D HN 0.131 nan 8.370 nan 0.000 0.513 175 S N 1.758 117.466 115.700 0.013 0.000 2.563 175 S HA 0.150 4.617 4.470 -0.006 0.000 0.284 175 S C -2.159 172.458 174.600 0.028 0.000 1.331 175 S CA -0.738 57.474 58.200 0.020 0.000 1.047 175 S CB 0.508 63.727 63.200 0.030 0.000 0.859 175 S HN 0.240 nan 8.310 nan 0.000 0.514 176 P HA 0.047 nan 4.420 nan 0.000 0.266 176 P C 0.326 177.647 177.300 0.034 0.000 1.193 176 P CA 0.031 63.149 63.100 0.029 0.000 0.770 176 P CB 0.332 32.047 31.700 0.026 0.000 0.836 177 A N 2.820 125.662 122.820 0.037 0.000 1.940 177 A HA -0.229 4.088 4.320 -0.006 0.000 0.219 177 A C 1.749 179.356 177.584 0.038 0.000 1.176 177 A CA 1.923 53.986 52.037 0.043 0.000 0.631 177 A CB -1.085 17.944 19.000 0.048 0.000 0.814 177 A HN 0.478 nan 8.150 nan 0.000 0.446 178 D N 0.240 120.659 120.400 0.031 0.000 2.117 178 D HA -0.117 4.520 4.640 -0.006 0.000 0.197 178 D C 1.359 177.675 176.300 0.026 0.000 0.987 178 D CA 1.507 55.522 54.000 0.025 0.000 0.829 178 D CB -0.421 40.392 40.800 0.021 0.000 0.961 178 D HN 0.412 nan 8.370 nan 0.000 0.460 179 D N 0.488 120.907 120.400 0.031 0.000 2.117 179 D HA -0.093 4.544 4.640 -0.006 0.000 0.197 179 D C 1.960 178.286 176.300 0.042 0.000 0.987 179 D CA 0.828 54.851 54.000 0.038 0.000 0.829 179 D CB -0.080 40.744 40.800 0.041 0.000 0.961 179 D HN 0.232 nan 8.370 nan 0.000 0.460 180 K N 0.367 120.792 120.400 0.042 0.000 2.026 180 K HA -0.054 4.263 4.320 -0.006 0.000 0.208 180 K C 1.865 178.482 176.600 0.028 0.000 1.048 180 K CA 0.670 56.983 56.287 0.044 0.000 0.929 180 K CB -0.089 32.439 32.500 0.047 0.000 0.713 180 K HN 0.099 nan 8.250 nan 0.000 0.439 181 N N 0.989 119.703 118.700 0.023 0.000 2.104 181 N HA -0.160 4.577 4.740 -0.006 0.000 0.190 181 N C 1.819 177.319 175.510 -0.017 0.000 1.024 181 N CA 1.371 54.426 53.050 0.008 0.000 0.853 181 N CB -0.131 38.365 38.487 0.016 0.000 1.008 181 N HN 0.194 nan 8.380 nan 0.000 0.424 182 A N 1.230 124.041 122.820 -0.014 0.000 1.877 182 A HA 0.003 4.320 4.320 -0.006 0.000 0.216 182 A C 2.436 179.963 177.584 -0.094 0.000 1.186 182 A CA 1.899 53.912 52.037 -0.040 0.000 0.620 182 A CB -0.868 18.126 19.000 -0.010 0.000 0.822 182 A HN 0.325 nan 8.150 nan 0.000 0.443 183 A N -0.484 122.311 122.820 -0.042 0.000 1.892 183 A HA -0.235 4.081 4.320 -0.006 0.000 0.218 183 A C 2.330 179.836 177.584 -0.129 0.000 1.188 183 A CA 2.200 54.205 52.037 -0.053 0.000 0.631 183 A CB -0.615 18.455 19.000 0.117 0.000 0.822 183 A HN 0.652 nan 8.150 nan 0.000 0.447 184 M N -0.344 119.225 119.600 -0.052 0.000 2.117 184 M HA -0.101 4.375 4.480 -0.006 0.000 0.262 184 M C 2.059 178.314 176.300 -0.074 0.000 1.065 184 M CA 1.959 57.237 55.300 -0.037 0.000 1.114 184 M CB -0.482 32.111 32.600 -0.012 0.000 1.361 184 M HN 0.408 nan 8.290 nan 0.000 0.408 185 G N 0.596 109.330 108.800 -0.111 0.000 2.446 185 G HA2 -0.241 3.716 3.960 -0.006 0.000 0.217 185 G HA3 -0.241 3.716 3.960 -0.006 0.000 0.217 185 G C 1.505 176.290 174.900 -0.191 0.000 1.168 185 G CA 1.113 46.143 45.100 -0.117 0.000 0.771 185 G HN 0.479 nan 8.290 nan 0.000 0.551 186 K N -0.294 119.856 120.400 -0.417 0.000 2.097 186 K HA 0.159 4.476 4.320 -0.006 0.000 0.205 186 K C 2.453 178.543 176.600 -0.851 0.000 1.050 186 K CA 0.503 56.317 56.287 -0.788 0.000 0.938 186 K CB -0.240 31.398 32.500 -1.438 0.000 0.718 186 K HN 0.222 nan 8.250 nan 0.000 0.442 187 L N 0.396 121.271 121.223 -0.581 0.000 2.072 187 L HA -0.192 4.145 4.340 -0.006 0.000 0.205 187 L C 2.735 179.619 176.870 0.024 0.000 1.079 187 L CA 1.188 55.957 54.840 -0.118 0.000 0.752 187 L CB -0.402 41.699 42.059 0.070 0.000 0.906 187 L HN 0.437 nan 8.230 nan 0.000 0.436 188 H N -0.144 118.876 119.070 -0.083 0.000 2.293 188 H HA -0.156 4.396 4.556 -0.006 0.000 0.300 188 H C 1.903 177.212 175.328 -0.032 0.000 1.082 188 H CA 1.888 57.911 56.048 -0.040 0.000 1.308 188 H CB -0.032 29.698 29.762 -0.052 0.000 1.375 188 H HN 0.345 nan 8.280 nan 0.000 0.495 189 G N -0.256 108.581 108.800 0.062 0.000 2.446 189 G HA2 -0.351 3.606 3.960 -0.006 0.000 0.217 189 G HA3 -0.351 3.606 3.960 -0.006 0.000 0.217 189 G C 1.763 176.658 174.900 -0.008 0.000 1.168 189 G CA 0.943 46.053 45.100 0.016 0.000 0.771 189 G HN 0.565 nan 8.290 nan 0.000 0.551 190 Y N 1.062 121.326 120.300 -0.059 0.000 2.128 190 Y HA -0.077 4.470 4.550 -0.005 0.000 0.284 190 Y C 2.512 178.434 175.900 0.037 0.000 1.154 190 Y CA 1.671 59.812 58.100 0.068 0.000 1.149 190 Y CB -0.216 38.410 38.460 0.275 0.000 0.976 190 Y HN 0.123 nan 8.280 nan 0.000 0.505 191 L N -1.435 119.786 121.223 -0.003 0.000 2.179 191 L HA -0.127 4.210 4.340 -0.006 0.000 0.208 191 L C 2.694 179.444 176.870 -0.199 0.000 1.096 191 L CA 1.045 55.825 54.840 -0.099 0.000 0.779 191 L CB -0.628 41.429 42.059 -0.003 0.000 0.922 191 L HN 0.123 nan 8.230 nan 0.000 0.443 192 S N -0.142 115.413 115.700 -0.241 0.000 2.356 192 S HA -0.191 4.276 4.470 -0.006 0.000 0.223 192 S C 1.568 176.072 174.600 -0.161 0.000 1.032 192 S CA 1.530 59.594 58.200 -0.226 0.000 1.005 192 S CB -0.122 62.923 63.200 -0.259 0.000 0.867 192 S HN 0.410 nan 8.310 nan 0.000 0.449 193 D N 1.251 121.552 120.400 -0.166 0.000 2.097 193 D HA -0.060 4.576 4.640 -0.006 0.000 0.195 193 D C 1.967 178.157 176.300 -0.183 0.000 0.989 193 D CA 0.595 54.507 54.000 -0.147 0.000 0.827 193 D CB -0.562 40.159 40.800 -0.132 0.000 0.966 193 D HN 0.278 nan 8.370 nan 0.000 0.456 194 L N 0.405 121.448 121.223 -0.301 0.000 2.043 194 L HA -0.193 4.144 4.340 -0.006 0.000 0.212 194 L C 2.334 179.119 176.870 -0.142 0.000 1.075 194 L CA 1.059 55.740 54.840 -0.264 0.000 0.752 194 L CB -0.203 41.638 42.059 -0.363 0.000 0.891 194 L HN 0.087 nan 8.230 nan 0.000 0.432 195 L N -0.791 120.355 121.223 -0.129 0.000 2.093 195 L HA -0.197 4.140 4.340 -0.006 0.000 0.208 195 L C 2.666 179.497 176.870 -0.066 0.000 1.085 195 L CA 0.846 55.635 54.840 -0.084 0.000 0.755 195 L CB -0.556 41.453 42.059 -0.082 0.000 0.904 195 L HN 0.233 nan 8.230 nan 0.000 0.435 196 E N 0.504 120.661 120.200 -0.072 0.000 2.070 196 E HA -0.233 4.114 4.350 -0.006 0.000 0.197 196 E C 2.293 178.867 176.600 -0.043 0.000 1.004 196 E CA 1.365 57.734 56.400 -0.052 0.000 0.805 196 E CB -0.233 29.437 29.700 -0.050 0.000 0.744 196 E HN 0.507 nan 8.360 nan 0.000 0.451 197 R N 0.704 121.173 120.500 -0.052 0.000 2.092 197 R HA -0.038 4.299 4.340 -0.006 0.000 0.231 197 R C 2.407 178.690 176.300 -0.029 0.000 1.119 197 R CA 0.969 57.046 56.100 -0.037 0.000 0.970 197 R CB -0.201 30.075 30.300 -0.040 0.000 0.864 197 R HN 0.116 nan 8.270 nan 0.000 0.440 198 K N 0.519 120.898 120.400 -0.035 0.000 2.147 198 K HA -0.160 4.156 4.320 -0.006 0.000 0.205 198 K C 2.165 178.752 176.600 -0.020 0.000 1.049 198 K CA 1.019 57.291 56.287 -0.025 0.000 0.936 198 K CB -0.140 32.343 32.500 -0.028 0.000 0.722 198 K HN 0.104 nan 8.250 nan 0.000 0.446 199 R N 0.717 121.203 120.500 -0.023 0.000 2.083 199 R HA -0.146 4.191 4.340 -0.006 0.000 0.237 199 R C 1.889 178.181 176.300 -0.014 0.000 1.137 199 R CA 2.096 58.185 56.100 -0.018 0.000 0.951 199 R CB -0.212 30.076 30.300 -0.019 0.000 0.851 199 R HN 0.130 nan 8.270 nan 0.000 0.434 200 T N 0.643 115.189 114.554 -0.014 0.000 2.812 200 T HA -0.099 4.248 4.350 -0.006 0.000 0.264 200 T C 0.137 174.833 174.700 -0.007 0.000 1.042 200 T CA 1.387 63.481 62.100 -0.010 0.000 1.140 200 T CB -0.022 68.840 68.868 -0.009 0.000 0.870 200 T HN 0.496 nan 8.240 nan 0.000 0.445 201 E N 1.864 122.059 120.200 -0.008 0.000 2.593 201 E HA 0.377 4.723 4.350 -0.006 0.000 0.232 201 E C -3.171 173.425 176.600 -0.006 0.000 1.026 201 E CA -2.276 54.120 56.400 -0.005 0.000 0.772 201 E CB 1.307 31.006 29.700 -0.002 0.000 1.310 201 E HN 0.180 nan 8.360 nan 0.000 0.413 202 P HA 0.051 nan 4.420 nan 0.000 0.272 202 P C -0.766 176.531 177.300 -0.006 0.000 1.230 202 P CA 0.051 63.147 63.100 -0.008 0.000 0.788 202 P CB 0.654 32.349 31.700 -0.009 0.000 0.949 203 D N -1.184 119.213 120.400 -0.006 0.000 2.727 203 D HA 0.247 4.884 4.640 -0.006 0.000 0.264 203 D C -0.284 176.010 176.300 -0.010 0.000 1.101 203 D CA -0.445 53.552 54.000 -0.006 0.000 1.122 203 D CB -0.072 40.727 40.800 -0.002 0.000 1.390 203 D HN 0.080 nan 8.370 nan 0.000 0.606 204 D N -0.871 119.522 120.400 -0.012 0.000 2.328 204 D HA 0.328 4.965 4.640 -0.006 0.000 0.221 204 D C 0.370 176.655 176.300 -0.025 0.000 1.072 204 D CA -0.032 53.957 54.000 -0.018 0.000 0.850 204 D CB 0.182 40.971 40.800 -0.018 0.000 0.922 204 D HN 0.494 nan 8.370 nan 0.000 0.516 205 A N 0.138 122.945 122.820 -0.022 0.000 2.257 205 A HA 0.333 4.650 4.320 -0.006 0.000 0.290 205 A C 1.398 178.964 177.584 -0.031 0.000 1.201 205 A CA -0.519 51.500 52.037 -0.030 0.000 0.863 205 A CB 0.455 19.443 19.000 -0.020 0.000 1.256 205 A HN 0.133 nan 8.150 nan 0.000 0.506 206 L N -0.600 120.600 121.223 -0.038 0.000 2.056 206 L HA -0.124 4.213 4.340 -0.006 0.000 0.207 206 L C 2.233 179.098 176.870 -0.009 0.000 1.078 206 L CA 1.323 56.144 54.840 -0.031 0.000 0.749 206 L CB -0.356 41.683 42.059 -0.034 0.000 0.901 206 L HN 0.735 nan 8.230 nan 0.000 0.433 207 L N -1.293 119.926 121.223 -0.006 0.000 2.083 207 L HA -0.210 4.126 4.340 -0.006 0.000 0.209 207 L C 2.631 179.494 176.870 -0.012 0.000 1.083 207 L CA 1.036 55.872 54.840 -0.006 0.000 0.752 207 L CB -0.477 41.576 42.059 -0.011 0.000 0.899 207 L HN 0.206 nan 8.230 nan 0.000 0.433 208 S N -0.498 115.194 115.700 -0.013 0.000 2.368 208 S HA -0.164 4.302 4.470 -0.006 0.000 0.225 208 S C 2.209 176.802 174.600 -0.012 0.000 1.030 208 S CA 1.582 59.774 58.200 -0.014 0.000 0.999 208 S CB -0.086 63.106 63.200 -0.013 0.000 0.844 208 S HN 0.377 nan 8.310 nan 0.000 0.459 209 S N 1.744 117.436 115.700 -0.013 0.000 2.368 209 S HA 0.037 4.503 4.470 -0.006 0.000 0.225 209 S C 1.806 176.402 174.600 -0.006 0.000 1.030 209 S CA 0.952 59.145 58.200 -0.012 0.000 0.999 209 S CB -0.411 62.779 63.200 -0.017 0.000 0.844 209 S HN 0.366 nan 8.310 nan 0.000 0.459 210 L N 0.715 121.937 121.223 -0.002 0.000 2.141 210 L HA -0.032 4.305 4.340 -0.006 0.000 0.209 210 L C 2.340 179.208 176.870 -0.003 0.000 1.094 210 L CA 0.543 55.385 54.840 0.003 0.000 0.763 210 L CB -0.455 41.611 42.059 0.012 0.000 0.908 210 L HN 0.270 nan 8.230 nan 0.000 0.437 211 L N 0.230 121.447 121.223 -0.008 0.000 2.083 211 L HA -0.119 4.218 4.340 -0.006 0.000 0.209 211 L C 2.596 179.459 176.870 -0.010 0.000 1.083 211 L CA 1.879 56.712 54.840 -0.012 0.000 0.752 211 L CB -0.565 41.483 42.059 -0.018 0.000 0.899 211 L HN 0.128 nan 8.230 nan 0.000 0.433 212 A N -1.138 121.677 122.820 -0.009 0.000 1.898 212 A HA -0.119 4.198 4.320 -0.006 0.000 0.216 212 A C 2.253 179.833 177.584 -0.006 0.000 1.181 212 A CA 1.811 53.844 52.037 -0.008 0.000 0.620 212 A CB -1.078 17.918 19.000 -0.008 0.000 0.819 212 A HN 0.280 nan 8.150 nan 0.000 0.442 213 V N -0.369 119.542 119.914 -0.005 0.000 2.287 213 V HA -0.251 3.866 4.120 -0.006 0.000 0.248 213 V C 2.840 178.932 176.094 -0.003 0.000 1.053 213 V CA 2.444 64.742 62.300 -0.003 0.000 1.027 213 V CB -0.841 30.981 31.823 -0.001 0.000 0.646 213 V HN 0.661 nan 8.190 nan 0.000 0.447 214 S N -0.556 115.142 115.700 -0.004 0.000 2.368 214 S HA -0.244 4.223 4.470 -0.006 0.000 0.225 214 S C 1.777 176.374 174.600 -0.004 0.000 1.030 214 S CA 1.873 60.071 58.200 -0.004 0.000 0.999 214 S CB -0.488 62.709 63.200 -0.005 0.000 0.844 214 S HN 0.656 nan 8.310 nan 0.000 0.459 215 D N 0.957 121.353 120.400 -0.006 0.000 2.123 215 D HA -0.091 4.546 4.640 -0.006 0.000 0.196 215 D C 1.924 178.221 176.300 -0.004 0.000 0.992 215 D CA 1.339 55.335 54.000 -0.006 0.000 0.833 215 D CB -0.311 40.485 40.800 -0.007 0.000 0.954 215 D HN 0.486 nan 8.370 nan 0.000 0.455 216 M N -0.630 118.968 119.600 -0.004 0.000 2.254 216 M HA -0.062 4.415 4.480 -0.006 0.000 0.265 216 M C 0.093 176.392 176.300 -0.003 0.000 1.066 216 M CA 0.836 56.134 55.300 -0.003 0.000 1.123 216 M CB 0.406 33.004 32.600 -0.004 0.000 1.388 216 M HN -0.203 nan 8.290 nan 0.000 0.425 217 D N -0.544 119.854 120.400 -0.002 0.000 2.445 217 D HA 0.220 4.857 4.640 -0.006 0.000 0.236 217 D C 0.566 176.865 176.300 -0.001 0.000 1.315 217 D CA -0.081 53.918 54.000 -0.002 0.000 0.924 217 D CB 0.588 41.387 40.800 -0.002 0.000 1.447 217 D HN 0.135 nan 8.370 nan 0.000 0.532 218 G N 1.485 110.285 108.800 -0.001 0.000 2.559 218 G HA2 -0.175 3.781 3.960 -0.006 0.000 0.216 218 G HA3 -0.175 3.781 3.960 -0.006 0.000 0.216 218 G C 0.976 175.877 174.900 0.001 0.000 1.126 218 G CA 0.324 45.425 45.100 0.000 0.000 0.778 218 G HN 0.405 nan 8.290 nan 0.000 0.543 219 D N -0.085 120.316 120.400 0.001 0.000 2.289 219 D HA 0.004 4.641 4.640 -0.006 0.000 0.207 219 D C 2.337 178.637 176.300 -0.000 0.000 0.966 219 D CA 0.274 54.274 54.000 0.001 0.000 0.868 219 D CB 0.113 40.914 40.800 0.001 0.000 0.943 219 D HN 0.286 nan 8.370 nan 0.000 0.514 220 R N -0.341 120.158 120.500 -0.002 0.000 2.075 220 R HA 0.043 4.380 4.340 -0.006 0.000 0.226 220 R C -0.010 176.287 176.300 -0.004 0.000 1.114 220 R CA 0.617 56.715 56.100 -0.004 0.000 0.972 220 R CB 0.228 30.525 30.300 -0.005 0.000 0.869 220 R HN -0.007 nan 8.270 nan 0.000 0.437 221 L N 0.802 122.024 121.223 -0.002 0.000 2.541 221 L HA 0.289 4.626 4.340 -0.006 0.000 0.266 221 L C -0.865 176.006 176.870 0.002 0.000 0.966 221 L CA -0.391 54.449 54.840 -0.001 0.000 0.871 221 L CB 1.720 43.779 42.059 -0.001 0.000 1.232 221 L HN 0.156 nan 8.230 nan 0.000 0.408 222 S N 2.505 118.208 115.700 0.005 0.000 2.614 222 S HA 0.272 4.739 4.470 -0.006 0.000 0.265 222 S C 0.875 175.480 174.600 0.007 0.000 1.303 222 S CA 0.283 58.488 58.200 0.007 0.000 1.000 222 S CB 1.355 64.562 63.200 0.011 0.000 0.935 222 S HN 0.741 nan 8.310 nan 0.000 0.551 223 Q N 0.583 120.387 119.800 0.008 0.000 2.084 223 Q HA -0.136 4.201 4.340 -0.006 0.000 0.202 223 Q C 1.716 177.724 176.000 0.013 0.000 0.978 223 Q CA 1.964 57.769 55.803 0.004 0.000 0.844 223 Q CB -0.341 28.399 28.738 0.004 0.000 0.898 223 Q HN 0.785 nan 8.270 nan 0.000 0.426 224 E N 0.536 120.756 120.200 0.034 0.000 2.072 224 E HA -0.161 4.185 4.350 -0.006 0.000 0.191 224 E C 1.905 178.534 176.600 0.048 0.000 0.985 224 E CA 1.220 57.660 56.400 0.066 0.000 0.801 224 E CB -0.080 29.664 29.700 0.073 0.000 0.750 224 E HN 0.601 nan 8.360 nan 0.000 0.452 225 E N 0.541 120.757 120.200 0.027 0.000 2.110 225 E HA -0.183 4.164 4.350 -0.006 0.000 0.193 225 E C 2.132 178.740 176.600 0.013 0.000 0.988 225 E CA 0.703 57.114 56.400 0.019 0.000 0.804 225 E CB -0.130 29.578 29.700 0.012 0.000 0.745 225 E HN 0.053 nan 8.360 nan 0.000 0.458 226 L N 0.544 121.770 121.223 0.005 0.000 2.017 226 L HA -0.170 4.166 4.340 -0.006 0.000 0.208 226 L C 2.157 179.018 176.870 -0.013 0.000 1.073 226 L CA 1.505 56.343 54.840 -0.004 0.000 0.745 226 L CB -0.360 41.693 42.059 -0.011 0.000 0.894 226 L HN -0.057 nan 8.230 nan 0.000 0.432 227 V N 0.263 120.160 119.914 -0.028 0.000 2.358 227 V HA -0.238 3.879 4.120 -0.006 0.000 0.246 227 V C 2.833 178.919 176.094 -0.013 0.000 1.047 227 V CA 1.565 63.825 62.300 -0.066 0.000 1.035 227 V CB -1.441 30.273 31.823 -0.182 0.000 0.658 227 V HN 0.626 nan 8.190 nan 0.000 0.452 228 A N -0.457 122.378 122.820 0.025 0.000 1.930 228 A HA -0.243 4.074 4.320 -0.006 0.000 0.217 228 A C 2.165 179.762 177.584 0.022 0.000 1.175 228 A CA 2.242 54.301 52.037 0.037 0.000 0.627 228 A CB -0.511 18.510 19.000 0.036 0.000 0.815 228 A HN 0.476 nan 8.150 nan 0.000 0.443 229 M N 0.298 119.909 119.600 0.017 0.000 2.086 229 M HA -0.067 4.410 4.480 -0.006 0.000 0.261 229 M C 2.158 178.471 176.300 0.022 0.000 1.067 229 M CA 1.880 57.191 55.300 0.019 0.000 1.116 229 M CB -0.512 32.099 32.600 0.019 0.000 1.348 229 M HN 0.369 nan 8.290 nan 0.000 0.407 230 A N -0.156 122.672 122.820 0.013 0.000 1.908 230 A HA -0.208 4.109 4.320 -0.006 0.000 0.218 230 A C 2.198 179.786 177.584 0.008 0.000 1.181 230 A CA 2.197 54.239 52.037 0.008 0.000 0.627 230 A CB -0.753 18.240 19.000 -0.011 0.000 0.818 230 A HN 0.638 nan 8.150 nan 0.000 0.445 231 M N -1.411 118.196 119.600 0.013 0.000 2.086 231 M HA -0.138 4.338 4.480 -0.006 0.000 0.261 231 M C 2.203 178.519 176.300 0.026 0.000 1.067 231 M CA 1.696 57.011 55.300 0.024 0.000 1.116 231 M CB -0.408 32.216 32.600 0.040 0.000 1.348 231 M HN 0.474 nan 8.290 nan 0.000 0.407 232 L N 0.593 121.831 121.223 0.026 0.000 2.012 232 L HA -0.170 4.167 4.340 -0.006 0.000 0.210 232 L C 2.048 178.938 176.870 0.034 0.000 1.073 232 L CA 1.864 56.721 54.840 0.028 0.000 0.748 232 L CB -0.599 41.473 42.059 0.021 0.000 0.891 232 L HN 0.268 nan 8.230 nan 0.000 0.431 233 L N -1.289 119.956 121.223 0.036 0.000 2.093 233 L HA -0.204 4.132 4.340 -0.006 0.000 0.208 233 L C 2.533 179.447 176.870 0.073 0.000 1.085 233 L CA 1.299 56.174 54.840 0.059 0.000 0.755 233 L CB -0.553 41.562 42.059 0.092 0.000 0.904 233 L HN 0.381 nan 8.230 nan 0.000 0.435 234 L N -0.062 121.187 121.223 0.045 0.000 2.017 234 L HA -0.220 4.116 4.340 -0.006 0.000 0.208 234 L C 2.472 179.421 176.870 0.133 0.000 1.073 234 L CA 1.514 56.383 54.840 0.048 0.000 0.745 234 L CB -0.048 41.953 42.059 -0.096 0.000 0.894 234 L HN 0.104 nan 8.230 nan 0.000 0.432 235 I N -0.055 120.556 120.570 0.068 0.000 2.202 235 I HA -0.255 3.912 4.170 -0.006 0.000 0.242 235 I C 2.777 178.977 176.117 0.138 0.000 1.091 235 I CA 1.081 62.432 61.300 0.086 0.000 1.368 235 I CB -0.569 37.469 38.000 0.063 0.000 1.058 235 I HN 0.330 nan 8.210 nan 0.000 0.410 236 A N 0.902 123.784 122.820 0.104 0.000 1.948 236 A HA -0.199 4.117 4.320 -0.006 0.000 0.220 236 A C 2.388 180.037 177.584 0.109 0.000 1.177 236 A CA 2.088 54.183 52.037 0.096 0.000 0.636 236 A CB -1.490 17.544 19.000 0.057 0.000 0.815 236 A HN 0.495 nan 8.150 nan 0.000 0.449 237 G N -2.389 106.489 108.800 0.130 0.000 2.534 237 G HA2 -0.066 3.891 3.960 -0.006 0.000 0.217 237 G HA3 -0.066 3.891 3.960 -0.006 0.000 0.217 237 G C 1.255 176.154 174.900 -0.002 0.000 1.128 237 G CA 1.158 46.304 45.100 0.076 0.000 0.784 237 G HN 0.700 nan 8.290 nan 0.000 0.542 238 H N -0.574 118.491 119.070 -0.008 0.000 2.553 238 H HA 0.238 4.790 4.556 -0.006 0.000 0.276 238 H C 1.440 176.812 175.328 0.073 0.000 0.979 238 H CA 0.738 56.773 56.048 -0.022 0.000 1.268 238 H CB 0.710 30.538 29.762 0.111 0.000 1.450 238 H HN 0.238 nan 8.280 nan 0.000 0.527 239 E N -0.354 119.970 120.200 0.207 0.000 2.630 239 E HA 0.109 4.456 4.350 -0.006 0.000 0.218 239 E C 0.819 177.509 176.600 0.149 0.000 0.977 239 E CA 0.598 57.114 56.400 0.192 0.000 1.038 239 E CB 0.945 30.752 29.700 0.178 0.000 1.051 239 E HN 0.541 nan 8.360 nan 0.000 0.487 240 T N -2.898 111.730 114.554 0.125 0.000 3.393 240 T HA 0.016 4.363 4.350 -0.006 0.000 0.231 240 T C 1.971 176.739 174.700 0.114 0.000 0.983 240 T CA 0.701 62.876 62.100 0.124 0.000 1.272 240 T CB -0.538 68.407 68.868 0.128 0.000 1.214 240 T HN -0.163 nan 8.240 nan 0.000 0.368 241 T N 2.437 117.049 114.554 0.097 0.000 2.803 241 T HA -0.097 4.250 4.350 -0.006 0.000 0.269 241 T C 1.988 176.727 174.700 0.065 0.000 1.052 241 T CA 1.328 63.479 62.100 0.085 0.000 1.136 241 T CB -0.799 68.104 68.868 0.057 0.000 0.864 241 T HN 0.249 nan 8.240 nan 0.000 0.467 242 V N 2.559 122.505 119.914 0.053 0.000 2.370 242 V HA -0.253 3.863 4.120 -0.006 0.000 0.252 242 V C 1.841 177.994 176.094 0.099 0.000 1.068 242 V CA 1.968 64.312 62.300 0.074 0.000 1.061 242 V CB -0.464 31.440 31.823 0.135 0.000 0.656 242 V HN 0.497 nan 8.190 nan 0.000 0.455 243 N N -0.493 118.273 118.700 0.110 0.000 2.415 243 N HA 0.000 4.737 4.740 -0.006 0.000 0.176 243 N C 1.530 177.102 175.510 0.104 0.000 1.042 243 N CA 1.136 54.256 53.050 0.116 0.000 0.902 243 N CB 0.008 38.578 38.487 0.138 0.000 0.986 243 N HN 0.514 nan 8.380 nan 0.000 0.447 244 L N 1.547 122.827 121.223 0.095 0.000 2.017 244 L HA -0.004 4.333 4.340 -0.006 0.000 0.208 244 L C 1.874 178.789 176.870 0.075 0.000 1.073 244 L CA 1.402 56.295 54.840 0.089 0.000 0.745 244 L CB -0.653 41.466 42.059 0.100 0.000 0.894 244 L HN -0.008 nan 8.230 nan 0.000 0.432 245 I N -0.236 120.381 120.570 0.080 0.000 2.127 245 I HA -0.238 3.929 4.170 -0.006 0.000 0.241 245 I C 2.532 178.686 176.117 0.062 0.000 1.075 245 I CA 1.512 62.861 61.300 0.082 0.000 1.334 245 I CB -1.279 36.770 38.000 0.080 0.000 1.040 245 I HN 0.435 nan 8.210 nan 0.000 0.405 246 G N 0.838 109.680 108.800 0.069 0.000 2.421 246 G HA2 -0.241 3.715 3.960 -0.006 0.000 0.216 246 G HA3 -0.241 3.715 3.960 -0.006 0.000 0.216 246 G C 1.421 176.344 174.900 0.038 0.000 1.171 246 G CA 0.869 46.004 45.100 0.058 0.000 0.775 246 G HN 0.299 nan 8.290 nan 0.000 0.543 247 N N 1.112 119.845 118.700 0.056 0.000 2.188 247 N HA -0.048 4.689 4.740 -0.006 0.000 0.184 247 N C 2.282 177.743 175.510 -0.082 0.000 1.018 247 N CA 1.269 54.362 53.050 0.073 0.000 0.858 247 N CB -0.753 37.817 38.487 0.139 0.000 0.989 247 N HN 0.322 nan 8.380 nan 0.000 0.426 248 G N 0.786 109.426 108.800 -0.266 0.000 2.394 248 G HA2 -0.138 3.818 3.960 -0.006 0.000 0.214 248 G HA3 -0.138 3.818 3.960 -0.006 0.000 0.214 248 G C 1.696 176.105 174.900 -0.817 0.000 1.176 248 G CA 0.670 45.163 45.100 -1.011 0.000 0.786 248 G HN 0.154 nan 8.290 nan 0.000 0.533 249 V N 0.993 120.750 119.914 -0.262 0.000 2.252 249 V HA -0.213 3.904 4.120 -0.006 0.000 0.249 249 V C 2.738 178.853 176.094 0.035 0.000 1.056 249 V CA 1.891 64.218 62.300 0.043 0.000 1.022 249 V CB -0.658 31.251 31.823 0.144 0.000 0.641 249 V HN 0.339 nan 8.190 nan 0.000 0.445 250 L N 0.657 121.888 121.223 0.012 0.000 2.043 250 L HA -0.175 4.162 4.340 -0.006 0.000 0.212 250 L C 2.475 179.401 176.870 0.093 0.000 1.075 250 L CA 2.415 57.297 54.840 0.070 0.000 0.752 250 L CB -1.010 41.111 42.059 0.104 0.000 0.891 250 L HN 0.260 nan 8.230 nan 0.000 0.432 251 A N -0.576 122.256 122.820 0.019 0.000 1.892 251 A HA -0.226 4.090 4.320 -0.006 0.000 0.218 251 A C 2.262 179.886 177.584 0.065 0.000 1.188 251 A CA 2.254 54.320 52.037 0.049 0.000 0.631 251 A CB -0.984 17.932 19.000 -0.140 0.000 0.822 251 A HN 0.516 nan 8.150 nan 0.000 0.447 252 L N -0.766 120.399 121.223 -0.095 0.000 2.056 252 L HA -0.161 4.176 4.340 -0.006 0.000 0.207 252 L C 2.560 179.467 176.870 0.062 0.000 1.078 252 L CA 0.967 55.755 54.840 -0.087 0.000 0.749 252 L CB -0.557 41.230 42.059 -0.453 0.000 0.901 252 L HN 0.370 nan 8.230 nan 0.000 0.433 253 L N -0.353 120.958 121.223 0.147 0.000 2.083 253 L HA -0.170 4.167 4.340 -0.006 0.000 0.209 253 L C 2.577 179.503 176.870 0.093 0.000 1.083 253 L CA 1.866 56.800 54.840 0.155 0.000 0.752 253 L CB -0.862 41.283 42.059 0.142 0.000 0.899 253 L HN 0.462 nan 8.230 nan 0.000 0.433 254 T N -5.056 109.560 114.554 0.103 0.000 3.129 254 T HA -0.009 4.338 4.350 -0.006 0.000 0.251 254 T C 0.241 174.823 174.700 -0.197 0.000 1.117 254 T CA 0.087 62.186 62.100 -0.003 0.000 1.034 254 T CB -0.248 68.634 68.868 0.024 0.000 0.968 254 T HN 0.264 nan 8.240 nan 0.000 0.526 255 H N 0.992 120.055 119.070 -0.011 0.000 2.569 255 H HA 0.373 4.922 4.556 -0.011 0.000 0.247 255 H C -2.222 173.083 175.328 -0.038 0.000 1.346 255 H CA -2.056 53.970 56.048 -0.038 0.000 1.502 255 H CB 1.331 31.039 29.762 -0.090 0.000 1.512 255 H HN 0.038 nan 8.280 nan 0.000 0.502 256 P HA -0.233 nan 4.420 nan 0.000 0.216 256 P C 1.454 178.764 177.300 0.018 0.000 1.150 256 P CA 1.516 64.632 63.100 0.027 0.000 0.843 256 P CB 0.433 32.141 31.700 0.013 0.000 0.787 257 D N -0.672 119.741 120.400 0.021 0.000 2.123 257 D HA -0.215 4.421 4.640 -0.006 0.000 0.196 257 D C 1.628 177.921 176.300 -0.012 0.000 0.992 257 D CA 1.388 55.391 54.000 0.006 0.000 0.833 257 D CB -0.833 39.973 40.800 0.009 0.000 0.954 257 D HN 0.161 nan 8.370 nan 0.000 0.455 258 Q N 0.264 120.059 119.800 -0.008 0.000 2.137 258 Q HA -0.013 4.323 4.340 -0.006 0.000 0.198 258 Q C 2.389 178.346 176.000 -0.072 0.000 0.960 258 Q CA 0.466 56.235 55.803 -0.056 0.000 0.847 258 Q CB -0.349 28.335 28.738 -0.089 0.000 0.915 258 Q HN 0.446 nan 8.270 nan 0.000 0.448 259 R N 1.347 121.806 120.500 -0.068 0.000 2.091 259 R HA -0.160 4.176 4.340 -0.006 0.000 0.238 259 R C 2.139 178.399 176.300 -0.067 0.000 1.136 259 R CA 1.702 57.728 56.100 -0.123 0.000 0.959 259 R CB -0.000 30.252 30.300 -0.080 0.000 0.856 259 R HN 0.074 nan 8.270 nan 0.000 0.437 260 K N 0.449 120.832 120.400 -0.028 0.000 2.057 260 K HA -0.110 4.207 4.320 -0.006 0.000 0.207 260 K C 2.214 178.800 176.600 -0.024 0.000 1.049 260 K CA 1.324 57.603 56.287 -0.013 0.000 0.931 260 K CB -0.088 32.409 32.500 -0.005 0.000 0.714 260 K HN 0.201 nan 8.250 nan 0.000 0.440 261 L N 0.696 121.897 121.223 -0.038 0.000 2.046 261 L HA -0.208 4.129 4.340 -0.006 0.000 0.208 261 L C 2.475 179.316 176.870 -0.047 0.000 1.077 261 L CA 0.653 55.467 54.840 -0.043 0.000 0.747 261 L CB -0.468 41.556 42.059 -0.058 0.000 0.896 261 L HN 0.266 nan 8.230 nan 0.000 0.432 262 L N 0.177 121.362 121.223 -0.064 0.000 2.056 262 L HA -0.121 4.215 4.340 -0.006 0.000 0.207 262 L C 2.634 179.488 176.870 -0.026 0.000 1.078 262 L CA 1.928 56.731 54.840 -0.062 0.000 0.749 262 L CB -0.638 41.358 42.059 -0.106 0.000 0.901 262 L HN 0.137 nan 8.230 nan 0.000 0.433 263 A N -0.902 121.908 122.820 -0.016 0.000 1.933 263 A HA -0.213 4.104 4.320 -0.006 0.000 0.218 263 A C 2.157 179.748 177.584 0.013 0.000 1.175 263 A CA 1.854 53.903 52.037 0.019 0.000 0.628 263 A CB -0.548 18.473 19.000 0.036 0.000 0.814 263 A HN 0.629 nan 8.150 nan 0.000 0.444 264 E N -1.136 119.064 120.200 -0.000 0.000 2.216 264 E HA -0.066 4.281 4.350 -0.006 0.000 0.192 264 E C -0.220 176.377 176.600 -0.004 0.000 0.988 264 E CA 0.787 57.187 56.400 -0.002 0.000 0.834 264 E CB 0.183 29.879 29.700 -0.007 0.000 0.772 264 E HN 0.467 nan 8.360 nan 0.000 0.479 265 D N -0.667 119.728 120.400 -0.010 0.000 2.363 265 D HA 0.134 4.771 4.640 -0.006 0.000 0.258 265 D C -2.272 174.023 176.300 -0.009 0.000 1.259 265 D CA -2.306 51.688 54.000 -0.010 0.000 0.921 265 D CB 1.161 41.950 40.800 -0.018 0.000 1.201 265 D HN -0.254 nan 8.370 nan 0.000 0.524 266 P HA -0.141 nan 4.420 nan 0.000 0.220 266 P C 1.323 178.629 177.300 0.010 0.000 1.144 266 P CA 0.980 64.090 63.100 0.015 0.000 0.800 266 P CB 0.203 31.921 31.700 0.030 0.000 0.772 267 S N -1.327 114.374 115.700 0.003 0.000 2.547 267 S HA -0.054 4.413 4.470 -0.006 0.000 0.235 267 S C 1.692 176.283 174.600 -0.015 0.000 0.980 267 S CA 0.536 58.736 58.200 -0.000 0.000 0.941 267 S CB -1.417 61.784 63.200 0.001 0.000 0.763 267 S HN 0.118 nan 8.310 nan 0.000 0.532 268 L N 0.325 121.530 121.223 -0.029 0.000 2.456 268 L HA 0.075 4.411 4.340 -0.006 0.000 0.224 268 L C 2.259 179.085 176.870 -0.073 0.000 1.148 268 L CA 0.296 55.101 54.840 -0.057 0.000 0.825 268 L CB -0.500 41.514 42.059 -0.075 0.000 0.937 268 L HN 0.339 nan 8.230 nan 0.000 0.450 269 I N -0.067 120.481 120.570 -0.037 0.000 2.194 269 I HA -0.350 3.817 4.170 -0.006 0.000 0.246 269 I C 2.618 178.709 176.117 -0.044 0.000 1.093 269 I CA 2.043 63.329 61.300 -0.024 0.000 1.355 269 I CB -0.102 37.920 38.000 0.037 0.000 1.046 269 I HN 0.325 nan 8.210 nan 0.000 0.413 270 S N -1.437 114.248 115.700 -0.025 0.000 2.387 270 S HA -0.164 4.303 4.470 -0.006 0.000 0.226 270 S C 2.186 176.751 174.600 -0.060 0.000 1.026 270 S CA 1.186 59.377 58.200 -0.016 0.000 0.972 270 S CB -1.038 62.172 63.200 0.016 0.000 0.814 270 S HN 0.516 nan 8.310 nan 0.000 0.477 271 S N 2.098 117.749 115.700 -0.082 0.000 2.370 271 S HA -0.044 4.423 4.470 -0.006 0.000 0.226 271 S C 2.116 176.569 174.600 -0.245 0.000 1.033 271 S CA 1.240 59.369 58.200 -0.119 0.000 1.011 271 S CB -0.897 62.241 63.200 -0.103 0.000 0.852 271 S HN 0.733 nan 8.310 nan 0.000 0.457 272 A N 0.752 123.370 122.820 -0.336 0.000 1.877 272 A HA -0.021 4.295 4.320 -0.006 0.000 0.216 272 A C 2.346 179.308 177.584 -1.036 0.000 1.186 272 A CA 1.810 53.421 52.037 -0.709 0.000 0.620 272 A CB -1.121 17.533 19.000 -0.576 0.000 0.822 272 A HN 0.444 nan 8.150 nan 0.000 0.443 273 V N 0.432 120.055 119.914 -0.485 0.000 2.332 273 V HA -0.242 3.875 4.120 -0.006 0.000 0.248 273 V C 2.587 178.532 176.094 -0.250 0.000 1.055 273 V CA 2.228 64.399 62.300 -0.215 0.000 1.038 273 V CB -0.735 31.098 31.823 0.016 0.000 0.651 273 V HN 0.524 nan 8.190 nan 0.000 0.450 274 E N -0.151 119.920 120.200 -0.214 0.000 2.110 274 E HA -0.246 4.100 4.350 -0.006 0.000 0.193 274 E C 2.183 178.628 176.600 -0.259 0.000 0.988 274 E CA 1.469 57.754 56.400 -0.192 0.000 0.804 274 E CB -0.205 29.494 29.700 -0.000 0.000 0.745 274 E HN 0.709 nan 8.360 nan 0.000 0.458 275 E N 0.222 120.240 120.200 -0.303 0.000 2.107 275 E HA -0.090 4.257 4.350 -0.006 0.000 0.191 275 E C 1.887 178.410 176.600 -0.129 0.000 0.982 275 E CA 0.855 57.108 56.400 -0.245 0.000 0.809 275 E CB -0.390 29.105 29.700 -0.343 0.000 0.756 275 E HN 0.294 nan 8.360 nan 0.000 0.459 276 F N 0.136 120.025 119.950 -0.102 0.000 2.171 276 F HA -0.138 4.384 4.527 -0.008 0.000 0.300 276 F C 2.121 177.874 175.800 -0.079 0.000 1.090 276 F CA 0.370 58.346 58.000 -0.041 0.000 1.293 276 F CB -0.215 38.760 39.000 -0.042 0.000 1.013 276 F HN 0.022 nan 8.300 nan 0.000 0.486 277 L N -0.086 121.046 121.223 -0.151 0.000 2.046 277 L HA -0.215 4.122 4.340 -0.006 0.000 0.208 277 L C 2.689 179.368 176.870 -0.318 0.000 1.077 277 L CA 1.245 55.771 54.840 -0.524 0.000 0.747 277 L CB -0.525 40.641 42.059 -1.488 0.000 0.896 277 L HN 0.093 nan 8.230 nan 0.000 0.432 278 R N -0.315 120.101 120.500 -0.138 0.000 2.062 278 R HA -0.201 4.135 4.340 -0.006 0.000 0.231 278 R C 2.408 178.869 176.300 0.268 0.000 1.136 278 R CA 1.734 58.008 56.100 0.290 0.000 0.948 278 R CB -0.362 30.152 30.300 0.358 0.000 0.845 278 R HN 0.220 nan 8.270 nan 0.000 0.430 279 F N 0.639 120.629 119.950 0.067 0.000 2.234 279 F HA -0.078 4.445 4.527 -0.007 0.000 0.299 279 F C 0.142 175.952 175.800 0.017 0.000 1.087 279 F CA 1.213 59.226 58.000 0.022 0.000 1.340 279 F CB 0.288 39.288 39.000 0.000 0.000 1.031 279 F HN -0.016 nan 8.300 nan 0.000 0.500 280 D N 0.100 120.584 120.400 0.141 0.000 2.823 280 D HA 0.145 4.782 4.640 -0.006 0.000 0.255 280 D C -1.002 175.401 176.300 0.171 0.000 1.257 280 D CA -0.086 53.991 54.000 0.129 0.000 0.803 280 D CB 0.479 41.382 40.800 0.171 0.000 1.384 280 D HN -0.142 nan 8.370 nan 0.000 0.541 281 S N 2.217 118.017 115.700 0.168 0.000 2.546 281 S HA 0.091 4.558 4.470 -0.006 0.000 0.290 281 S C -1.403 173.271 174.600 0.124 0.000 1.262 281 S CA -0.673 57.605 58.200 0.130 0.000 1.083 281 S CB 1.207 64.501 63.200 0.156 0.000 0.859 281 S HN 0.358 nan 8.310 nan 0.000 0.495 282 P HA -0.026 nan 4.420 nan 0.000 0.218 282 P C -0.058 177.320 177.300 0.130 0.000 1.149 282 P CA 0.662 63.832 63.100 0.117 0.000 0.817 282 P CB 0.103 31.859 31.700 0.095 0.000 0.785 283 V N 0.964 120.949 119.914 0.117 0.000 2.304 283 V HA 0.085 4.201 4.120 -0.006 0.000 0.269 283 V C 1.532 177.705 176.094 0.132 0.000 1.036 283 V CA 0.200 62.578 62.300 0.130 0.000 0.840 283 V CB 0.494 32.390 31.823 0.121 0.000 1.036 283 V HN 0.120 nan 8.190 nan 0.000 0.466 284 S N 3.939 119.735 115.700 0.160 0.000 2.362 284 S HA 0.027 4.493 4.470 -0.006 0.000 0.221 284 S C 0.625 175.303 174.600 0.130 0.000 1.032 284 S CA 0.205 58.504 58.200 0.164 0.000 0.973 284 S CB -0.009 63.350 63.200 0.266 0.000 0.849 284 S HN 0.661 nan 8.310 nan 0.000 0.465 285 Q N 0.558 120.459 119.800 0.168 0.000 2.337 285 Q HA 0.768 5.105 4.340 -0.006 0.000 0.270 285 Q C -0.722 175.330 176.000 0.085 0.000 1.043 285 Q CA -0.141 55.730 55.803 0.114 0.000 0.794 285 Q CB 1.867 30.698 28.738 0.156 0.000 1.281 285 Q HN 0.486 nan 8.270 nan 0.000 0.446 286 A N 3.641 126.492 122.820 0.052 0.000 2.520 286 A HA 0.418 4.734 4.320 -0.006 0.000 0.235 286 A C -2.050 175.529 177.584 -0.007 0.000 1.065 286 A CA -0.784 51.287 52.037 0.057 0.000 0.764 286 A CB -0.593 18.447 19.000 0.067 0.000 1.002 286 A HN 0.500 nan 8.150 nan 0.000 0.502 287 P HA 0.074 nan 4.420 nan 0.000 0.267 287 P C -0.054 177.172 177.300 -0.124 0.000 1.201 287 P CA 0.172 63.246 63.100 -0.043 0.000 0.775 287 P CB 0.211 31.894 31.700 -0.028 0.000 0.854 288 I N 2.081 122.550 120.570 -0.168 0.000 2.815 288 I HA -0.084 4.082 4.170 -0.006 0.000 0.291 288 I C 1.485 177.330 176.117 -0.453 0.000 1.209 288 I CA 0.843 61.946 61.300 -0.329 0.000 1.431 288 I CB 0.126 37.900 38.000 -0.376 0.000 1.351 288 I HN 0.262 nan 8.210 nan 0.000 0.585 289 R N 4.807 125.003 120.500 -0.506 0.000 2.828 289 R HA 0.662 4.998 4.340 -0.006 0.000 0.264 289 R C -1.510 174.418 176.300 -0.620 0.000 1.022 289 R CA -0.671 55.175 56.100 -0.424 0.000 1.021 289 R CB 1.596 31.743 30.300 -0.255 0.000 1.163 289 R HN 0.292 nan 8.270 nan 0.000 0.494 290 F N -0.245 119.701 119.950 -0.006 0.000 2.529 290 F HA 0.244 4.768 4.527 -0.005 0.000 0.320 290 F C 0.311 176.072 175.800 -0.065 0.000 1.118 290 F CA -0.988 57.025 58.000 0.021 0.000 0.915 290 F CB 2.130 41.208 39.000 0.131 0.000 1.161 290 F HN 0.407 nan 8.300 nan 0.000 0.445 291 T N -0.392 114.197 114.554 0.059 0.000 2.769 291 T HA 0.411 4.757 4.350 -0.006 0.000 0.293 291 T C 0.829 175.465 174.700 -0.107 0.000 0.931 291 T CA -0.234 61.831 62.100 -0.057 0.000 1.139 291 T CB 1.374 70.184 68.868 -0.098 0.000 0.881 291 T HN 0.771 nan 8.240 nan 0.000 0.532 292 A N 3.151 125.796 122.820 -0.293 0.000 2.081 292 A HA 0.254 4.571 4.320 -0.006 0.000 0.214 292 A C 0.922 178.409 177.584 -0.163 0.000 1.158 292 A CA 0.210 51.928 52.037 -0.531 0.000 0.724 292 A CB -0.164 18.368 19.000 -0.780 0.000 0.826 292 A HN 0.969 nan 8.150 nan 0.000 0.463 293 E N -0.961 119.170 120.200 -0.115 0.000 2.458 293 E HA 0.377 4.724 4.350 -0.006 0.000 0.278 293 E C -1.875 174.681 176.600 -0.074 0.000 1.004 293 E CA -1.190 55.171 56.400 -0.065 0.000 0.823 293 E CB 0.178 29.847 29.700 -0.052 0.000 1.396 293 E HN -0.063 nan 8.360 nan 0.000 0.463 294 D N 0.905 121.265 120.400 -0.067 0.000 2.488 294 D HA 0.248 4.885 4.640 -0.006 0.000 0.238 294 D C -0.255 175.989 176.300 -0.094 0.000 1.138 294 D CA 0.283 54.231 54.000 -0.088 0.000 0.873 294 D CB 1.136 41.892 40.800 -0.072 0.000 1.183 294 D HN 0.430 nan 8.370 nan 0.000 0.458 295 V N -0.563 119.283 119.914 -0.112 0.000 2.962 295 V HA 0.781 4.898 4.120 -0.006 0.000 0.313 295 V C -0.314 175.715 176.094 -0.108 0.000 1.099 295 V CA -0.689 61.558 62.300 -0.088 0.000 0.971 295 V CB 2.385 34.226 31.823 0.029 0.000 1.028 295 V HN 0.409 nan 8.190 nan 0.000 0.430 296 T N 3.930 118.364 114.554 -0.200 0.000 2.809 296 T HA 0.721 5.067 4.350 -0.006 0.000 0.284 296 T C -1.447 173.034 174.700 -0.365 0.000 0.992 296 T CA -0.040 61.946 62.100 -0.191 0.000 0.957 296 T CB 0.814 69.586 68.868 -0.160 0.000 0.942 296 T HN 0.697 nan 8.240 nan 0.000 0.439 297 Y N 0.661 120.917 120.300 -0.072 0.000 2.421 297 Y HA 0.375 4.921 4.550 -0.006 0.000 0.339 297 Y C 0.936 176.825 175.900 -0.018 0.000 0.996 297 Y CA -0.887 57.185 58.100 -0.047 0.000 1.046 297 Y CB 2.053 40.476 38.460 -0.062 0.000 1.226 297 Y HN 0.761 nan 8.280 nan 0.000 0.445 298 S N 2.220 117.989 115.700 0.114 0.000 3.521 298 S HA -0.215 4.252 4.470 -0.006 0.000 0.362 298 S C 1.208 175.844 174.600 0.060 0.000 1.044 298 S CA 1.384 59.636 58.200 0.086 0.000 1.091 298 S CB -1.503 61.761 63.200 0.107 0.000 0.908 298 S HN 1.728 nan 8.310 nan 0.000 0.473 299 G N -2.048 106.769 108.800 0.028 0.000 2.179 299 G HA2 -0.257 3.699 3.960 -0.006 0.000 0.260 299 G HA3 -0.257 3.699 3.960 -0.006 0.000 0.260 299 G C 0.022 174.939 174.900 0.029 0.000 0.977 299 G CA 0.009 45.120 45.100 0.020 0.000 0.641 299 G HN 1.238 nan 8.290 nan 0.000 0.533 300 V N 1.351 121.291 119.914 0.042 0.000 2.448 300 V HA 0.627 4.743 4.120 -0.006 0.000 0.295 300 V C 0.325 176.412 176.094 -0.011 0.000 1.025 300 V CA -0.230 62.103 62.300 0.055 0.000 0.859 300 V CB 1.825 33.723 31.823 0.124 0.000 0.988 300 V HN 0.239 nan 8.190 nan 0.000 0.431 301 T N 6.544 121.072 114.554 -0.043 0.000 2.744 301 T HA 0.557 4.904 4.350 -0.006 0.000 0.291 301 T C -0.028 174.512 174.700 -0.267 0.000 0.957 301 T CA -0.034 61.995 62.100 -0.118 0.000 1.002 301 T CB 0.401 69.224 68.868 -0.074 0.000 0.919 301 T HN 0.379 nan 8.240 nan 0.000 0.468 302 I N 6.462 126.768 120.570 -0.440 0.000 2.325 302 I HA 0.273 4.439 4.170 -0.006 0.000 0.291 302 I C -2.088 173.782 176.117 -0.413 0.000 1.019 302 I CA -2.539 58.274 61.300 -0.811 0.000 1.302 302 I CB 1.238 38.610 38.000 -1.047 0.000 1.401 302 I HN 0.300 nan 8.210 nan 0.000 0.485 303 P HA 0.094 nan 4.420 nan 0.000 0.272 303 P C -0.361 176.883 177.300 -0.092 0.000 1.230 303 P CA -0.380 62.654 63.100 -0.110 0.000 0.788 303 P CB 0.555 32.249 31.700 -0.011 0.000 0.949 304 A N 1.775 124.565 122.820 -0.050 0.000 2.587 304 A HA 0.351 4.667 4.320 -0.006 0.000 0.233 304 A C 1.466 179.069 177.584 0.032 0.000 1.049 304 A CA 1.020 53.047 52.037 -0.016 0.000 0.754 304 A CB -1.588 17.413 19.000 0.001 0.000 0.977 304 A HN 0.922 nan 8.150 nan 0.000 0.509 305 G N 0.684 109.529 108.800 0.075 0.000 2.157 305 G HA2 -0.141 3.816 3.960 -0.006 0.000 0.239 305 G HA3 -0.141 3.816 3.960 -0.006 0.000 0.239 305 G C -0.086 174.914 174.900 0.167 0.000 0.982 305 G CA 0.337 45.513 45.100 0.128 0.000 0.650 305 G HN 0.829 nan 8.290 nan 0.000 0.527 306 E N -0.078 120.206 120.200 0.139 0.000 2.222 306 E HA 0.647 4.994 4.350 -0.006 0.000 0.267 306 E C 0.555 177.247 176.600 0.153 0.000 0.963 306 E CA -0.639 55.866 56.400 0.174 0.000 0.837 306 E CB 1.001 30.776 29.700 0.125 0.000 1.183 306 E HN 0.373 nan 8.360 nan 0.000 0.403 307 M N 1.255 120.948 119.600 0.156 0.000 2.264 307 M HA 0.366 4.843 4.480 -0.006 0.000 0.352 307 M C -0.627 175.669 176.300 -0.006 0.000 1.173 307 M CA -0.772 54.498 55.300 -0.050 0.000 1.075 307 M CB 1.341 33.920 32.600 -0.036 0.000 1.621 307 M HN 0.043 nan 8.290 nan 0.000 0.457 308 V N 4.310 124.120 119.914 -0.173 0.000 2.569 308 V HA 0.458 4.575 4.120 -0.006 0.000 0.301 308 V C -0.467 175.512 176.094 -0.192 0.000 1.044 308 V CA -0.652 61.578 62.300 -0.117 0.000 0.874 308 V CB 1.949 33.664 31.823 -0.179 0.000 1.002 308 V HN 0.897 nan 8.190 nan 0.000 0.424 309 M N 5.211 124.733 119.600 -0.131 0.000 2.264 309 M HA 0.566 5.042 4.480 -0.006 0.000 0.352 309 M C -0.836 175.366 176.300 -0.163 0.000 1.173 309 M CA -0.401 54.815 55.300 -0.139 0.000 1.075 309 M CB 1.584 34.138 32.600 -0.077 0.000 1.621 309 M HN 0.415 nan 8.290 nan 0.000 0.457 310 L N 2.347 123.431 121.223 -0.231 0.000 2.265 310 L HA 0.420 4.757 4.340 -0.006 0.000 0.288 310 L C 0.807 177.592 176.870 -0.141 0.000 1.058 310 L CA -0.585 54.086 54.840 -0.282 0.000 0.809 310 L CB 0.891 42.603 42.059 -0.578 0.000 1.179 310 L HN 0.852 nan 8.230 nan 0.000 0.429 311 G N 4.301 113.027 108.800 -0.123 0.000 2.621 311 G HA2 0.341 4.298 3.960 -0.006 0.000 0.306 311 G HA3 0.341 4.298 3.960 -0.006 0.000 0.306 311 G C 0.891 175.705 174.900 -0.142 0.000 0.893 311 G CA -0.429 44.595 45.100 -0.127 0.000 1.486 311 G HN 0.656 nan 8.290 nan 0.000 0.477 312 L N 2.139 123.321 121.223 -0.068 0.000 2.072 312 L HA -0.064 4.272 4.340 -0.006 0.000 0.205 312 L C 3.127 179.978 176.870 -0.032 0.000 1.079 312 L CA 1.262 56.096 54.840 -0.009 0.000 0.752 312 L CB -0.476 41.627 42.059 0.074 0.000 0.906 312 L HN 0.511 nan 8.230 nan 0.000 0.436 313 A N 0.478 123.236 122.820 -0.103 0.000 1.933 313 A HA -0.152 4.165 4.320 -0.006 0.000 0.218 313 A C 2.560 180.045 177.584 -0.164 0.000 1.175 313 A CA 1.833 53.828 52.037 -0.071 0.000 0.628 313 A CB -0.627 18.352 19.000 -0.034 0.000 0.814 313 A HN 0.403 nan 8.150 nan 0.000 0.444 314 A N -0.087 122.404 122.820 -0.548 0.000 1.841 314 A HA 0.178 4.495 4.320 -0.006 0.000 0.214 314 A C 2.549 180.110 177.584 -0.038 0.000 1.195 314 A CA 2.156 53.971 52.037 -0.370 0.000 0.611 314 A CB -1.193 17.490 19.000 -0.528 0.000 0.835 314 A HN 1.113 nan 8.150 nan 0.000 0.443 315 A N 0.099 122.906 122.820 -0.022 0.000 1.940 315 A HA -0.192 4.124 4.320 -0.006 0.000 0.219 315 A C 1.785 179.526 177.584 0.261 0.000 1.176 315 A CA 1.763 53.869 52.037 0.115 0.000 0.631 315 A CB -0.650 18.361 19.000 0.018 0.000 0.814 315 A HN 0.545 nan 8.150 nan 0.000 0.446 316 N N -0.356 118.476 118.700 0.220 0.000 2.512 316 N HA -0.041 4.696 4.740 -0.006 0.000 0.183 316 N C 0.930 176.690 175.510 0.417 0.000 1.073 316 N CA 0.566 53.843 53.050 0.379 0.000 0.911 316 N CB -0.136 38.567 38.487 0.361 0.000 0.964 316 N HN 0.492 nan 8.380 nan 0.000 0.447 317 R N 0.463 121.121 120.500 0.262 0.000 2.609 317 R HA 0.099 4.436 4.340 -0.006 0.000 0.326 317 R C -0.472 175.940 176.300 0.187 0.000 1.090 317 R CA -0.280 55.936 56.100 0.193 0.000 1.072 317 R CB 0.284 30.648 30.300 0.107 0.000 1.330 317 R HN 0.016 nan 8.270 nan 0.000 0.572 318 D N 0.647 121.204 120.400 0.263 0.000 2.325 318 D HA 0.107 4.744 4.640 -0.006 0.000 0.251 318 D C 0.967 177.368 176.300 0.169 0.000 1.196 318 D CA -0.071 54.060 54.000 0.218 0.000 0.866 318 D CB 1.470 42.437 40.800 0.278 0.000 1.101 318 D HN 0.189 nan 8.370 nan 0.000 0.476 319 A N 4.290 127.170 122.820 0.100 0.000 2.070 319 A HA -0.183 4.134 4.320 -0.006 0.000 0.220 319 A C 1.671 179.276 177.584 0.035 0.000 1.159 319 A CA 1.074 53.136 52.037 0.042 0.000 0.656 319 A CB -0.069 18.951 19.000 0.034 0.000 0.800 319 A HN 0.564 nan 8.150 nan 0.000 0.453 320 D N -1.850 118.602 120.400 0.086 0.000 2.218 320 D HA -0.138 4.498 4.640 -0.006 0.000 0.204 320 D C 1.464 177.826 176.300 0.104 0.000 0.976 320 D CA 1.155 55.210 54.000 0.093 0.000 0.853 320 D CB -0.189 40.686 40.800 0.125 0.000 0.939 320 D HN 0.831 nan 8.370 nan 0.000 0.481 321 W N 0.144 121.372 121.300 -0.120 0.000 2.644 321 W HA 0.219 4.880 4.660 0.002 0.000 0.279 321 W C 0.125 176.507 176.519 -0.228 0.000 1.164 321 W CA 0.003 57.175 57.345 -0.288 0.000 1.457 321 W CB 0.181 29.189 29.460 -0.753 0.000 1.087 321 W HN -0.273 nan 8.180 nan 0.000 0.573 322 M N 2.605 121.912 119.600 -0.489 0.000 2.125 322 M HA 0.449 4.925 4.480 -0.006 0.000 0.321 322 M C -2.734 173.391 176.300 -0.292 0.000 0.983 322 M CA -3.151 51.748 55.300 -0.668 0.000 0.934 322 M CB 1.262 33.449 32.600 -0.688 0.000 1.542 322 M HN -0.302 nan 8.290 nan 0.000 0.424 323 P HA 0.091 nan 4.420 nan 0.000 0.268 323 P C -0.939 176.297 177.300 -0.107 0.000 1.204 323 P CA 0.456 63.471 63.100 -0.141 0.000 0.768 323 P CB 0.189 31.811 31.700 -0.130 0.000 0.842 324 E N 1.795 121.961 120.200 -0.057 0.000 2.230 324 E HA -0.177 4.170 4.350 -0.006 0.000 0.206 324 E C -1.409 175.182 176.600 -0.015 0.000 1.309 324 E CA -0.114 56.270 56.400 -0.027 0.000 0.697 324 E CB -0.837 28.845 29.700 -0.031 0.000 1.146 324 E HN 0.517 nan 8.360 nan 0.000 0.363 325 P HA -0.114 nan 4.420 nan 0.000 0.226 325 P C 0.580 177.928 177.300 0.081 0.000 1.153 325 P CA 0.866 63.981 63.100 0.024 0.000 0.777 325 P CB 0.305 32.031 31.700 0.045 0.000 0.794 326 D N -0.717 119.730 120.400 0.077 0.000 2.349 326 D HA 0.001 4.638 4.640 -0.006 0.000 0.215 326 D C 1.017 177.467 176.300 0.250 0.000 1.016 326 D CA 0.327 54.398 54.000 0.119 0.000 0.870 326 D CB -0.192 40.647 40.800 0.065 0.000 0.917 326 D HN 0.190 nan 8.370 nan 0.000 0.524 327 R N 1.221 121.812 120.500 0.152 0.000 2.265 327 R HA 0.240 4.577 4.340 -0.006 0.000 0.314 327 R C -0.555 175.726 176.300 -0.032 0.000 1.053 327 R CA -0.663 55.484 56.100 0.078 0.000 0.931 327 R CB 0.476 30.784 30.300 0.012 0.000 1.024 327 R HN -0.084 nan 8.270 nan 0.000 0.457 328 L N 4.602 125.632 121.223 -0.320 0.000 2.315 328 L HA 0.230 4.566 4.340 -0.006 0.000 0.283 328 L C -1.048 175.597 176.870 -0.376 0.000 1.089 328 L CA 0.534 54.951 54.840 -0.704 0.000 0.833 328 L CB 0.965 42.147 42.059 -1.461 0.000 1.170 328 L HN 0.616 nan 8.230 nan 0.000 0.442 329 D N 4.504 124.735 120.400 -0.281 0.000 2.358 329 D HA 0.134 4.770 4.640 -0.006 0.000 0.253 329 D C 0.922 177.091 176.300 -0.217 0.000 1.288 329 D CA -0.367 53.511 54.000 -0.204 0.000 0.950 329 D CB 0.695 41.410 40.800 -0.141 0.000 1.197 329 D HN 0.592 nan 8.370 nan 0.000 0.550 330 I N 1.083 121.508 120.570 -0.242 0.000 3.083 330 I HA -0.040 4.127 4.170 -0.006 0.000 0.273 330 I C 1.245 177.243 176.117 -0.198 0.000 1.297 330 I CA 1.168 62.301 61.300 -0.278 0.000 1.452 330 I CB -0.297 37.517 38.000 -0.311 0.000 1.078 330 I HN 0.252 nan 8.210 nan 0.000 0.484 331 T N -1.810 112.655 114.554 -0.148 0.000 3.081 331 T HA 0.212 4.559 4.350 -0.006 0.000 0.250 331 T C 1.011 175.653 174.700 -0.097 0.000 1.100 331 T CA -0.380 61.654 62.100 -0.109 0.000 1.038 331 T CB -0.256 68.560 68.868 -0.086 0.000 0.962 331 T HN 0.353 nan 8.240 nan 0.000 0.516 332 R N 2.203 122.636 120.500 -0.111 0.000 2.583 332 R HA 0.101 4.438 4.340 -0.006 0.000 0.274 332 R C -0.882 175.374 176.300 -0.072 0.000 0.998 332 R CA -0.069 55.972 56.100 -0.098 0.000 1.081 332 R CB 0.090 30.322 30.300 -0.113 0.000 0.940 332 R HN 0.296 nan 8.270 nan 0.000 0.413 333 D N 2.097 122.462 120.400 -0.058 0.000 2.374 333 D HA 0.146 4.782 4.640 -0.006 0.000 0.240 333 D C -0.127 176.168 176.300 -0.009 0.000 1.229 333 D CA 0.151 54.134 54.000 -0.029 0.000 0.895 333 D CB 0.914 41.699 40.800 -0.025 0.000 1.046 333 D HN 0.496 nan 8.370 nan 0.000 0.498 334 A N 2.589 125.424 122.820 0.026 0.000 2.462 334 A HA 0.537 4.853 4.320 -0.006 0.000 0.243 334 A C 0.339 178.004 177.584 0.134 0.000 1.076 334 A CA -0.211 51.882 52.037 0.093 0.000 0.773 334 A CB 0.276 19.361 19.000 0.143 0.000 1.010 334 A HN 0.532 nan 8.150 nan 0.000 0.493 335 S N 0.748 116.566 115.700 0.197 0.000 2.542 335 S HA 0.758 5.224 4.470 -0.006 0.000 0.276 335 S C 0.036 174.855 174.600 0.364 0.000 1.148 335 S CA 0.267 58.599 58.200 0.221 0.000 0.886 335 S CB 0.796 64.082 63.200 0.143 0.000 1.109 335 S HN 2.803 nan 8.310 nan 0.000 0.458 336 G N 1.001 109.959 108.800 0.264 0.000 2.499 336 G HA2 0.436 4.393 3.960 -0.006 0.000 0.232 336 G HA3 0.436 4.393 3.960 -0.006 0.000 0.232 336 G C 0.671 175.618 174.900 0.079 0.000 1.251 336 G CA 0.448 45.675 45.100 0.212 0.000 0.917 336 G HN 2.945 nan 8.290 nan 0.000 0.580 337 G N -3.086 105.605 108.800 -0.182 0.000 3.055 337 G HA2 0.410 4.367 3.960 -0.006 0.000 0.686 337 G HA3 0.410 4.367 3.960 -0.006 0.000 0.686 337 G C 0.366 174.849 174.900 -0.695 0.000 1.087 337 G CA 0.751 45.594 45.100 -0.429 0.000 0.779 337 G HN 2.366 nan 8.290 nan 0.000 0.599 338 V N 0.255 119.814 119.914 -0.591 0.000 3.176 338 V HA 0.454 4.571 4.120 -0.006 0.000 0.332 338 V C 1.850 177.735 176.094 -0.347 0.000 1.414 338 V CA 1.080 63.103 62.300 -0.462 0.000 1.133 338 V CB -1.127 30.512 31.823 -0.307 0.000 1.088 338 V HN 1.331 nan 8.190 nan 0.000 0.473 339 F N -0.856 119.035 119.950 -0.099 0.000 2.293 339 F HA 0.285 4.808 4.527 -0.007 0.000 0.300 339 F C 1.577 177.195 175.800 -0.304 0.000 1.086 339 F CA 0.691 58.571 58.000 -0.201 0.000 1.375 339 F CB -1.079 37.745 39.000 -0.293 0.000 1.045 339 F HN 0.185 nan 8.300 nan 0.000 0.516 340 F N 0.847 120.751 119.950 -0.078 0.000 2.641 340 F HA 0.509 5.033 4.527 -0.004 0.000 0.302 340 F C 1.548 177.034 175.800 -0.523 0.000 1.098 340 F CA 0.084 57.898 58.000 -0.310 0.000 1.318 340 F CB -0.005 38.646 39.000 -0.583 0.000 1.035 340 F HN 0.281 nan 8.300 nan 0.000 0.551 341 G N 0.744 109.371 108.800 -0.287 0.000 2.584 341 G HA2 -0.204 3.752 3.960 -0.006 0.000 0.229 341 G HA3 -0.204 3.752 3.960 -0.006 0.000 0.229 341 G C -1.303 173.234 174.900 -0.605 0.000 1.320 341 G CA -0.253 44.408 45.100 -0.731 0.000 0.891 341 G HN 0.563 nan 8.290 nan 0.000 0.573 342 H N -0.975 117.568 119.070 -0.879 0.000 3.139 342 H HA 0.661 5.214 4.556 -0.005 0.000 0.325 342 H C 0.525 175.760 175.328 -0.156 0.000 1.146 342 H CA 1.940 57.758 56.048 -0.383 0.000 1.351 342 H CB 0.957 30.423 29.762 -0.494 0.000 2.005 342 H HN 2.687 nan 8.280 nan 0.000 0.517 343 G N 2.595 111.065 108.800 -0.550 0.000 2.499 343 G HA2 -0.256 3.701 3.960 -0.006 0.000 0.232 343 G HA3 -0.256 3.701 3.960 -0.006 0.000 0.232 343 G C 1.302 176.124 174.900 -0.130 0.000 1.251 343 G CA 0.441 45.304 45.100 -0.395 0.000 0.917 343 G HN 1.326 nan 8.290 nan 0.000 0.580 344 I N -2.427 118.074 120.570 -0.115 0.000 2.394 344 I HA 0.080 4.246 4.170 -0.006 0.000 0.251 344 I C 1.787 177.816 176.117 -0.146 0.000 1.136 344 I CA 1.970 63.193 61.300 -0.128 0.000 1.425 344 I CB -0.318 37.547 38.000 -0.226 0.000 1.079 344 I HN 0.471 nan 8.210 nan 0.000 0.425 345 H N 0.857 119.920 119.070 -0.011 0.000 2.524 345 H HA 0.185 4.737 4.556 -0.006 0.000 0.280 345 H C 0.086 175.451 175.328 0.062 0.000 1.018 345 H CA -0.444 55.624 56.048 0.034 0.000 1.165 345 H CB -0.385 29.371 29.762 -0.010 0.000 1.411 345 H HN 0.353 nan 8.280 nan 0.000 0.569 346 F N 1.866 121.809 119.950 -0.012 0.000 2.623 346 F HA -0.098 4.425 4.527 -0.007 0.000 0.386 346 F C 0.901 176.685 175.800 -0.026 0.000 1.068 346 F CA -0.407 57.560 58.000 -0.056 0.000 1.265 346 F CB 0.410 39.356 39.000 -0.090 0.000 1.026 346 F HN 0.130 nan 8.300 nan 0.000 0.568 347 C N 9.020 127.882 119.300 -0.731 0.000 2.067 347 C HA -0.115 4.342 4.460 -0.006 0.000 0.408 347 C C 1.798 176.568 174.990 -0.367 0.000 1.539 347 C CA -0.078 58.640 59.018 -0.501 0.000 1.434 347 C CB -1.951 25.486 27.740 -0.505 0.000 2.621 347 C HN 1.022 nan 8.230 nan 0.000 0.610 348 L N 6.114 127.193 121.223 -0.240 0.000 2.083 348 L HA 0.119 4.456 4.340 -0.006 0.000 0.209 348 L C 2.188 178.830 176.870 -0.379 0.000 1.083 348 L CA 2.497 57.151 54.840 -0.309 0.000 0.752 348 L CB -0.526 41.271 42.059 -0.437 0.000 0.899 348 L HN 0.855 nan 8.230 nan 0.000 0.433 349 G N -2.093 106.512 108.800 -0.325 0.000 3.314 349 G HA2 0.251 4.207 3.960 -0.006 0.000 0.238 349 G HA3 0.251 4.207 3.960 -0.006 0.000 0.238 349 G C 1.387 176.144 174.900 -0.238 0.000 1.184 349 G CA 0.403 45.391 45.100 -0.186 0.000 0.806 349 G HN 0.550 nan 8.290 nan 0.000 0.536 350 A N 0.490 123.016 122.820 -0.489 0.000 1.883 350 A HA -0.156 4.161 4.320 -0.006 0.000 0.217 350 A C 2.143 179.482 177.584 -0.409 0.000 1.186 350 A CA 1.925 53.358 52.037 -1.008 0.000 0.624 350 A CB -0.377 17.894 19.000 -1.214 0.000 0.822 350 A HN 0.458 nan 8.150 nan 0.000 0.444 351 Q N -0.966 118.751 119.800 -0.139 0.000 2.084 351 Q HA -0.173 4.164 4.340 -0.006 0.000 0.202 351 Q C 2.012 178.033 176.000 0.035 0.000 0.978 351 Q CA 1.692 57.495 55.803 0.000 0.000 0.844 351 Q CB -0.238 28.529 28.738 0.048 0.000 0.898 351 Q HN 0.535 nan 8.270 nan 0.000 0.426 352 L N 0.673 121.928 121.223 0.052 0.000 2.017 352 L HA -0.073 4.264 4.340 -0.006 0.000 0.208 352 L C 2.232 179.145 176.870 0.072 0.000 1.073 352 L CA 2.289 57.175 54.840 0.076 0.000 0.745 352 L CB -0.931 41.209 42.059 0.135 0.000 0.894 352 L HN 0.248 nan 8.230 nan 0.000 0.432 353 A N -0.493 122.372 122.820 0.075 0.000 1.933 353 A HA -0.209 4.108 4.320 -0.006 0.000 0.218 353 A C 2.424 180.115 177.584 0.178 0.000 1.175 353 A CA 1.755 53.879 52.037 0.145 0.000 0.628 353 A CB -0.530 18.626 19.000 0.260 0.000 0.814 353 A HN 0.511 nan 8.150 nan 0.000 0.444 354 R N -1.221 119.390 120.500 0.184 0.000 2.075 354 R HA -0.085 4.251 4.340 -0.006 0.000 0.232 354 R C 2.145 178.519 176.300 0.124 0.000 1.126 354 R CA 1.413 57.626 56.100 0.188 0.000 0.963 354 R CB -0.500 29.916 30.300 0.192 0.000 0.858 354 R HN 0.509 nan 8.270 nan 0.000 0.435 355 L N 1.529 122.809 121.223 0.094 0.000 2.005 355 L HA -0.135 4.202 4.340 -0.006 0.000 0.207 355 L C 1.713 178.622 176.870 0.065 0.000 1.072 355 L CA 1.845 56.727 54.840 0.070 0.000 0.744 355 L CB -0.417 41.673 42.059 0.052 0.000 0.895 355 L HN 0.096 nan 8.230 nan 0.000 0.433 356 E N -0.370 119.865 120.200 0.059 0.000 2.070 356 E HA -0.213 4.133 4.350 -0.006 0.000 0.197 356 E C 2.054 178.689 176.600 0.059 0.000 1.004 356 E CA 1.190 57.613 56.400 0.039 0.000 0.805 356 E CB -0.638 29.075 29.700 0.021 0.000 0.744 356 E HN 0.711 nan 8.360 nan 0.000 0.451 357 G N 1.810 110.668 108.800 0.096 0.000 2.421 357 G HA2 -0.330 3.626 3.960 -0.006 0.000 0.216 357 G HA3 -0.330 3.626 3.960 -0.006 0.000 0.216 357 G C 1.579 176.567 174.900 0.147 0.000 1.171 357 G CA 1.211 46.388 45.100 0.128 0.000 0.775 357 G HN 0.270 nan 8.290 nan 0.000 0.543 358 R N -0.048 120.528 120.500 0.128 0.000 2.092 358 R HA 0.086 4.422 4.340 -0.006 0.000 0.231 358 R C 2.303 178.675 176.300 0.120 0.000 1.119 358 R CA 1.360 57.533 56.100 0.122 0.000 0.970 358 R CB -0.871 29.482 30.300 0.089 0.000 0.864 358 R HN 0.205 nan 8.270 nan 0.000 0.440 359 V N 1.944 121.917 119.914 0.098 0.000 2.261 359 V HA -0.240 3.876 4.120 -0.006 0.000 0.246 359 V C 2.796 178.967 176.094 0.129 0.000 1.047 359 V CA 2.101 64.457 62.300 0.093 0.000 1.015 359 V CB -0.879 30.980 31.823 0.059 0.000 0.642 359 V HN 0.586 nan 8.190 nan 0.000 0.446 360 A N -0.057 122.832 122.820 0.114 0.000 1.858 360 A HA -0.178 4.138 4.320 -0.006 0.000 0.216 360 A C 2.173 179.954 177.584 0.328 0.000 1.190 360 A CA 2.171 54.304 52.037 0.159 0.000 0.617 360 A CB -0.573 18.431 19.000 0.007 0.000 0.827 360 A HN 0.515 nan 8.150 nan 0.000 0.443 361 I N -0.557 120.180 120.570 0.277 0.000 2.286 361 I HA -0.108 4.059 4.170 -0.006 0.000 0.245 361 I C 2.734 179.063 176.117 0.353 0.000 1.104 361 I CA 0.914 62.422 61.300 0.347 0.000 1.397 361 I CB -0.742 37.447 38.000 0.315 0.000 1.072 361 I HN 0.385 nan 8.210 nan 0.000 0.417 362 G N 1.176 110.125 108.800 0.248 0.000 2.459 362 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.217 362 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.217 362 G C 1.795 176.811 174.900 0.193 0.000 1.183 362 G CA 0.527 45.745 45.100 0.197 0.000 0.776 362 G HN 0.156 nan 8.290 nan 0.000 0.552 363 R N -0.212 120.394 120.500 0.175 0.000 2.092 363 R HA 0.068 4.404 4.340 -0.006 0.000 0.231 363 R C 2.480 178.838 176.300 0.097 0.000 1.119 363 R CA 0.739 56.920 56.100 0.135 0.000 0.970 363 R CB -1.197 29.189 30.300 0.144 0.000 0.864 363 R HN 0.451 nan 8.270 nan 0.000 0.440 364 L N 0.186 121.473 121.223 0.106 0.000 1.970 364 L HA -0.109 4.228 4.340 -0.006 0.000 0.212 364 L C 2.011 178.779 176.870 -0.170 0.000 1.071 364 L CA 1.789 56.554 54.840 -0.126 0.000 0.751 364 L CB -0.756 41.171 42.059 -0.221 0.000 0.889 364 L HN -0.037 nan 8.230 nan 0.000 0.432 365 F N -0.111 119.834 119.950 -0.009 0.000 2.216 365 F HA -0.128 4.397 4.527 -0.003 0.000 0.300 365 F C 2.465 178.264 175.800 -0.001 0.000 1.085 365 F CA 1.277 59.275 58.000 -0.004 0.000 1.326 365 F CB -0.921 38.092 39.000 0.022 0.000 1.027 365 F HN 0.243 nan 8.300 nan 0.000 0.497 366 A N -0.303 122.611 122.820 0.157 0.000 1.877 366 A HA -0.254 4.062 4.320 -0.006 0.000 0.216 366 A C 1.867 179.471 177.584 0.033 0.000 1.186 366 A CA 2.207 54.296 52.037 0.088 0.000 0.620 366 A CB -0.981 18.067 19.000 0.079 0.000 0.822 366 A HN 0.354 nan 8.150 nan 0.000 0.443 367 D N -1.193 119.207 120.400 -0.001 0.000 2.149 367 D HA -0.051 4.585 4.640 -0.006 0.000 0.201 367 D C 0.762 177.023 176.300 -0.066 0.000 0.972 367 D CA 0.778 54.757 54.000 -0.035 0.000 0.835 367 D CB 0.131 40.898 40.800 -0.054 0.000 0.966 367 D HN 0.137 nan 8.370 nan 0.000 0.476 368 R N 0.243 120.675 120.500 -0.114 0.000 2.651 368 R HA 0.212 4.548 4.340 -0.006 0.000 0.282 368 R C -2.067 174.154 176.300 -0.132 0.000 1.565 368 R CA -1.308 54.705 56.100 -0.145 0.000 1.661 368 R CB 0.991 31.155 30.300 -0.227 0.000 1.189 368 R HN 0.261 nan 8.270 nan 0.000 0.621 369 P HA -0.044 nan 4.420 nan 0.000 0.234 369 P C 0.254 177.567 177.300 0.021 0.000 1.167 369 P CA 0.765 63.883 63.100 0.030 0.000 0.763 369 P CB 0.497 32.228 31.700 0.052 0.000 0.835 370 E N -0.484 119.700 120.200 -0.027 0.000 2.444 370 E HA 0.085 4.432 4.350 -0.006 0.000 0.191 370 E C 0.477 177.044 176.600 -0.056 0.000 1.041 370 E CA -0.651 55.735 56.400 -0.023 0.000 0.883 370 E CB -0.181 29.504 29.700 -0.025 0.000 1.024 370 E HN 0.121 nan 8.360 nan 0.000 0.470 371 L N 1.479 122.628 121.223 -0.124 0.000 2.559 371 L HA 0.074 4.410 4.340 -0.006 0.000 0.282 371 L C -0.426 176.393 176.870 -0.086 0.000 1.232 371 L CA 0.517 55.249 54.840 -0.179 0.000 0.885 371 L CB 0.443 42.259 42.059 -0.405 0.000 1.131 371 L HN -0.019 nan 8.230 nan 0.000 0.498 372 A N 5.121 127.899 122.820 -0.070 0.000 2.572 372 A HA 0.565 4.882 4.320 -0.006 0.000 0.295 372 A C -0.952 176.615 177.584 -0.029 0.000 1.072 372 A CA -0.837 51.186 52.037 -0.024 0.000 0.691 372 A CB 0.693 19.685 19.000 -0.013 0.000 1.291 372 A HN 0.735 nan 8.150 nan 0.000 0.404 373 L N 0.759 121.977 121.223 -0.008 0.000 2.483 373 L HA 0.275 4.612 4.340 -0.006 0.000 0.275 373 L C 1.359 178.219 176.870 -0.016 0.000 1.220 373 L CA 0.425 55.258 54.840 -0.011 0.000 0.833 373 L CB 1.123 43.184 42.059 0.003 0.000 1.102 373 L HN 0.944 nan 8.230 nan 0.000 0.490 374 A N 3.024 125.832 122.820 -0.021 0.000 2.470 374 A HA 0.424 4.741 4.320 -0.006 0.000 0.251 374 A C -0.003 177.572 177.584 -0.015 0.000 1.245 374 A CA 0.016 52.041 52.037 -0.020 0.000 0.932 374 A CB 0.095 19.079 19.000 -0.026 0.000 1.037 374 A HN 0.466 nan 8.150 nan 0.000 0.522 375 V N -4.469 115.438 119.914 -0.011 0.000 3.160 375 V HA 0.916 5.032 4.120 -0.006 0.000 0.310 375 V C 0.390 176.485 176.094 0.002 0.000 1.181 375 V CA -0.523 61.774 62.300 -0.006 0.000 1.047 375 V CB 0.798 32.616 31.823 -0.008 0.000 1.068 375 V HN 0.423 nan 8.190 nan 0.000 0.441 376 G N -0.108 108.695 108.800 0.006 0.000 2.544 376 G HA2 0.353 4.310 3.960 -0.006 0.000 0.242 376 G HA3 0.353 4.310 3.960 -0.006 0.000 0.242 376 G C 0.562 175.475 174.900 0.022 0.000 1.247 376 G CA -0.215 44.893 45.100 0.013 0.000 0.840 376 G HN 1.065 nan 8.290 nan 0.000 0.578 377 L N 0.740 121.981 121.223 0.030 0.000 2.043 377 L HA -0.154 4.182 4.340 -0.006 0.000 0.212 377 L C 2.711 179.620 176.870 0.065 0.000 1.075 377 L CA 2.260 57.130 54.840 0.051 0.000 0.752 377 L CB -0.189 41.901 42.059 0.053 0.000 0.891 377 L HN 0.837 nan 8.230 nan 0.000 0.432 378 D N -0.948 119.482 120.400 0.051 0.000 2.350 378 D HA -0.231 4.406 4.640 -0.006 0.000 0.216 378 D C 1.328 177.661 176.300 0.055 0.000 0.968 378 D CA 0.909 54.942 54.000 0.056 0.000 0.894 378 D CB -0.169 40.655 40.800 0.039 0.000 0.909 378 D HN 0.519 nan 8.370 nan 0.000 0.520 379 E N -0.038 120.187 120.200 0.041 0.000 2.474 379 E HA 0.162 4.508 4.350 -0.006 0.000 0.194 379 E C 0.475 177.089 176.600 0.023 0.000 1.041 379 E CA -0.285 56.133 56.400 0.029 0.000 0.874 379 E CB 0.461 30.169 29.700 0.013 0.000 0.914 379 E HN 0.323 nan 8.360 nan 0.000 0.498 380 L N 1.933 123.174 121.223 0.030 0.000 2.453 380 L HA 0.078 4.415 4.340 -0.006 0.000 0.272 380 L C -0.120 176.751 176.870 0.001 0.000 1.182 380 L CA -0.233 54.594 54.840 -0.022 0.000 0.858 380 L CB 0.664 42.696 42.059 -0.045 0.000 1.120 380 L HN -0.135 nan 8.230 nan 0.000 0.474 381 V N 3.884 123.750 119.914 -0.080 0.000 2.398 381 V HA 0.317 4.434 4.120 -0.006 0.000 0.286 381 V C -0.469 175.553 176.094 -0.121 0.000 1.026 381 V CA -0.551 61.739 62.300 -0.018 0.000 0.868 381 V CB 1.237 33.046 31.823 -0.023 0.000 0.982 381 V HN 0.375 nan 8.190 nan 0.000 0.443 382 Y N 3.074 123.391 120.300 0.028 0.000 2.419 382 Y HA 0.535 5.081 4.550 -0.006 0.000 0.328 382 Y C 1.012 176.885 175.900 -0.045 0.000 1.162 382 Y CA -0.777 57.338 58.100 0.025 0.000 1.174 382 Y CB 1.117 39.626 38.460 0.082 0.000 1.228 382 Y HN 0.471 nan 8.280 nan 0.000 0.473 383 R N 1.898 122.457 120.500 0.099 0.000 2.623 383 R HA 0.170 4.507 4.340 -0.006 0.000 0.271 383 R C -0.483 175.672 176.300 -0.241 0.000 1.043 383 R CA -0.186 55.885 56.100 -0.049 0.000 1.083 383 R CB 0.360 30.662 30.300 0.003 0.000 0.974 383 R HN 0.577 nan 8.270 nan 0.000 0.436 384 R N 1.264 121.450 120.500 -0.524 0.000 2.210 384 R HA 0.174 4.511 4.340 -0.006 0.000 0.338 384 R C -0.353 175.613 176.300 -0.556 0.000 1.062 384 R CA -0.048 55.361 56.100 -1.152 0.000 0.902 384 R CB 1.194 30.793 30.300 -1.168 0.000 1.050 384 R HN 0.427 nan 8.270 nan 0.000 0.461 385 S N 0.552 116.061 115.700 -0.317 0.000 2.543 385 S HA 0.122 4.588 4.470 -0.006 0.000 0.273 385 S C 0.566 175.430 174.600 0.439 0.000 1.152 385 S CA -0.769 57.490 58.200 0.100 0.000 0.910 385 S CB 1.493 64.762 63.200 0.114 0.000 1.105 385 S HN 0.655 nan 8.310 nan 0.000 0.465 386 T N 2.339 117.113 114.554 0.368 0.000 3.129 386 T HA 0.166 4.513 4.350 -0.006 0.000 0.251 386 T C 1.185 176.062 174.700 0.294 0.000 1.117 386 T CA 0.387 62.723 62.100 0.394 0.000 1.034 386 T CB -0.022 68.915 68.868 0.115 0.000 0.968 386 T HN 0.382 nan 8.240 nan 0.000 0.526 387 L N 1.356 122.723 121.223 0.240 0.000 2.547 387 L HA 0.487 4.824 4.340 -0.006 0.000 0.218 387 L C 0.349 177.337 176.870 0.197 0.000 1.048 387 L CA 0.335 55.285 54.840 0.183 0.000 0.859 387 L CB 0.942 43.079 42.059 0.131 0.000 1.128 387 L HN 0.333 nan 8.230 nan 0.000 0.483 388 V N -1.429 118.612 119.914 0.211 0.000 2.680 388 V HA 0.623 4.740 4.120 -0.006 0.000 0.309 388 V C -0.390 175.841 176.094 0.228 0.000 1.052 388 V CA -0.877 61.540 62.300 0.196 0.000 0.908 388 V CB 1.690 33.612 31.823 0.165 0.000 1.001 388 V HN 0.303 nan 8.190 nan 0.000 0.431 389 R N 2.973 123.598 120.500 0.208 0.000 2.233 389 R HA 0.744 5.081 4.340 -0.006 0.000 0.334 389 R C -0.090 176.369 176.300 0.266 0.000 1.037 389 R CA 0.486 56.713 56.100 0.211 0.000 0.920 389 R CB 0.676 31.058 30.300 0.137 0.000 1.137 389 R HN 1.336 nan 8.270 nan 0.000 0.492 390 G N 3.996 112.999 108.800 0.339 0.000 2.731 390 G HA2 0.358 4.315 3.960 -0.006 0.000 0.298 390 G HA3 0.358 4.315 3.960 -0.006 0.000 0.298 390 G C -1.194 173.814 174.900 0.180 0.000 1.424 390 G CA -0.823 44.429 45.100 0.252 0.000 1.029 390 G HN 0.456 nan 8.290 nan 0.000 0.518 391 L N 1.533 122.725 121.223 -0.052 0.000 2.426 391 L HA 0.179 4.516 4.340 -0.006 0.000 0.271 391 L C 1.913 178.688 176.870 -0.159 0.000 1.169 391 L CA -0.297 54.333 54.840 -0.350 0.000 0.836 391 L CB 1.601 43.447 42.059 -0.354 0.000 1.112 391 L HN 0.638 nan 8.230 nan 0.000 0.465 392 S N 2.598 118.192 115.700 -0.178 0.000 2.371 392 S HA 0.107 4.574 4.470 -0.006 0.000 0.224 392 S C 0.753 175.288 174.600 -0.109 0.000 1.029 392 S CA 0.827 58.962 58.200 -0.109 0.000 0.978 392 S CB 0.182 63.327 63.200 -0.092 0.000 0.833 392 S HN 0.632 nan 8.310 nan 0.000 0.466 393 R N -0.656 119.769 120.500 -0.125 0.000 2.739 393 R HA 0.478 4.814 4.340 -0.006 0.000 0.271 393 R C -1.349 174.887 176.300 -0.106 0.000 1.010 393 R CA -0.378 55.664 56.100 -0.098 0.000 0.897 393 R CB 1.625 31.876 30.300 -0.081 0.000 1.236 393 R HN 0.250 nan 8.270 nan 0.000 0.466 394 M N 2.740 122.296 119.600 -0.072 0.000 1.956 394 M HA 0.353 4.829 4.480 -0.006 0.000 0.256 394 M C -2.662 173.611 176.300 -0.046 0.000 0.869 394 M CA -1.886 53.376 55.300 -0.063 0.000 0.886 394 M CB 1.769 34.341 32.600 -0.046 0.000 1.739 394 M HN 0.174 nan 8.290 nan 0.000 0.381 395 P HA 0.103 nan 4.420 nan 0.000 0.266 395 P C -0.868 176.409 177.300 -0.038 0.000 1.215 395 P CA -0.044 63.033 63.100 -0.039 0.000 0.763 395 P CB 0.460 32.139 31.700 -0.034 0.000 0.806 396 V N 0.939 120.826 119.914 -0.045 0.000 3.102 396 V HA 0.755 4.872 4.120 -0.006 0.000 0.312 396 V C -0.522 175.538 176.094 -0.057 0.000 1.135 396 V CA -0.716 61.552 62.300 -0.054 0.000 1.022 396 V CB 2.205 33.982 31.823 -0.077 0.000 1.056 396 V HN 0.286 nan 8.190 nan 0.000 0.436 397 T N 3.769 118.286 114.554 -0.061 0.000 2.786 397 T HA 0.420 4.767 4.350 -0.006 0.000 0.283 397 T C 0.938 175.586 174.700 -0.086 0.000 0.992 397 T CA -0.531 61.532 62.100 -0.062 0.000 0.954 397 T CB 1.380 70.220 68.868 -0.046 0.000 0.934 397 T HN 0.641 nan 8.240 nan 0.000 0.440 398 M N 1.804 121.347 119.600 -0.096 0.000 2.132 398 M HA 0.141 4.617 4.480 -0.006 0.000 0.263 398 M C 1.567 177.800 176.300 -0.112 0.000 1.065 398 M CA 1.229 56.453 55.300 -0.128 0.000 1.122 398 M CB -1.687 30.838 32.600 -0.125 0.000 1.365 398 M HN 0.992 nan 8.290 nan 0.000 0.411 399 G N 1.068 109.821 108.800 -0.078 0.000 2.828 399 G HA2 -0.153 3.803 3.960 -0.006 0.000 0.463 399 G HA3 -0.153 3.803 3.960 -0.006 0.000 0.463 399 G C -2.722 172.142 174.900 -0.060 0.000 1.394 399 G CA -0.774 44.289 45.100 -0.062 0.000 0.862 399 G HN 0.264 nan 8.290 nan 0.000 0.540 400 P HA 0.319 nan 4.420 nan 0.000 0.278 400 P C 0.032 177.306 177.300 -0.043 0.000 1.238 400 P CA -0.355 62.721 63.100 -0.039 0.000 0.794 400 P CB 0.603 32.287 31.700 -0.027 0.000 0.955 401 R N 0.885 121.362 120.500 -0.039 0.000 2.570 401 R HA 0.160 4.497 4.340 -0.006 0.000 0.277 401 R C 0.920 177.205 176.300 -0.024 0.000 1.039 401 R CA -0.059 56.019 56.100 -0.036 0.000 1.065 401 R CB -0.087 30.195 30.300 -0.029 0.000 0.964 401 R HN 0.479 nan 8.270 nan 0.000 0.428 402 S N 1.205 116.894 115.700 -0.020 0.000 2.560 402 S HA 0.271 4.737 4.470 -0.006 0.000 0.284 402 S C 0.118 174.715 174.600 -0.004 0.000 1.327 402 S CA -0.296 57.899 58.200 -0.008 0.000 1.055 402 S CB 0.629 63.829 63.200 0.000 0.000 0.868 402 S HN 0.623 nan 8.310 nan 0.000 0.506 403 A N 0.000 122.819 122.820 -0.001 0.000 2.254 403 A HA 0.000 4.317 4.320 -0.006 0.000 0.244 403 A CA 0.000 52.037 52.037 0.000 0.000 0.836 403 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486