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 3a4z_1_B 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 0.000 177.560 177.584 -0.039 0.000 1.274 2 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 L N 1.643 122.831 121.223 -0.058 0.000 2.418 3 L HA 0.731 5.069 4.340 -0.002 0.000 0.265 3 L C 0.808 177.629 176.870 -0.080 0.000 1.143 3 L CA -0.133 54.663 54.840 -0.073 0.000 0.809 3 L CB 1.592 43.601 42.059 -0.084 0.000 1.124 3 L HN 0.945 nan 8.230 nan 0.000 0.456 4 T N -2.845 111.669 114.554 -0.066 0.000 2.903 4 T HA 0.443 4.791 4.350 -0.002 0.000 0.299 4 T C -0.260 174.418 174.700 -0.037 0.000 1.093 4 T CA -0.913 61.154 62.100 -0.055 0.000 1.002 4 T CB 1.584 70.421 68.868 -0.053 0.000 1.127 4 T HN 0.623 nan 8.240 nan 0.000 0.488 5 T N 0.383 114.933 114.554 -0.007 0.000 2.918 5 T HA 0.462 4.811 4.350 -0.002 0.000 0.302 5 T C 0.811 175.513 174.700 0.003 0.000 1.045 5 T CA -0.362 61.751 62.100 0.022 0.000 1.114 5 T CB 0.219 69.147 68.868 0.100 0.000 0.965 5 T HN 1.066 nan 8.240 nan 0.000 0.540 6 T N -0.325 114.234 114.554 0.009 0.000 2.882 6 T HA 0.638 4.987 4.350 -0.002 0.000 0.287 6 T C 0.773 175.482 174.700 0.015 0.000 1.014 6 T CA 0.070 62.173 62.100 0.004 0.000 1.049 6 T CB 0.478 69.349 68.868 0.005 0.000 1.001 6 T HN 1.997 nan 8.240 nan 0.000 0.525 7 G N 1.260 110.063 108.800 0.006 0.000 2.525 7 G HA2 -0.004 3.955 3.960 -0.002 0.000 0.685 7 G HA3 -0.004 3.955 3.960 -0.002 0.000 0.685 7 G C 0.572 175.464 174.900 -0.012 0.000 1.290 7 G CA 0.426 45.531 45.100 0.008 0.000 0.915 7 G HN 1.483 nan 8.290 nan 0.000 0.548 8 T N -1.732 112.816 114.554 -0.010 0.000 2.674 8 T HA 0.036 4.385 4.350 -0.002 0.000 0.265 8 T C 0.999 175.661 174.700 -0.062 0.000 1.039 8 T CA 1.953 64.038 62.100 -0.026 0.000 1.150 8 T CB -0.144 68.716 68.868 -0.012 0.000 0.864 8 T HN 0.624 nan 8.240 nan 0.000 0.427 9 E N 1.805 121.953 120.200 -0.087 0.000 2.229 9 E HA 0.219 4.567 4.350 -0.002 0.000 0.283 9 E C -0.554 175.844 176.600 -0.336 0.000 1.030 9 E CA -0.214 56.056 56.400 -0.217 0.000 0.836 9 E CB 0.670 30.226 29.700 -0.240 0.000 1.068 9 E HN 0.472 nan 8.360 nan 0.000 0.401 10 Q N 3.212 122.815 119.800 -0.328 0.000 2.398 10 Q HA 0.192 4.531 4.340 -0.002 0.000 0.251 10 Q C -0.830 174.984 176.000 -0.310 0.000 0.999 10 Q CA -0.437 55.219 55.803 -0.244 0.000 0.874 10 Q CB 0.917 29.578 28.738 -0.128 0.000 1.215 10 Q HN 0.436 nan 8.270 nan 0.000 0.470 11 H N 2.008 121.052 119.070 -0.042 0.000 2.517 11 H HA 0.145 4.700 4.556 -0.002 0.000 0.317 11 H C -0.364 174.916 175.328 -0.080 0.000 1.080 11 H CA -0.572 55.442 56.048 -0.057 0.000 1.301 11 H CB 0.966 30.694 29.762 -0.057 0.000 1.425 11 H HN 0.504 nan 8.280 nan 0.000 0.471 12 D N 3.011 123.420 120.400 0.015 0.000 2.506 12 D HA 0.003 4.642 4.640 -0.002 0.000 0.234 12 D C 0.361 176.555 176.300 -0.178 0.000 1.143 12 D CA 0.454 54.410 54.000 -0.073 0.000 0.871 12 D CB 1.190 41.947 40.800 -0.073 0.000 1.190 12 D HN 0.336 nan 8.370 nan 0.000 0.459 13 L N 2.485 123.516 121.223 -0.320 0.000 2.349 13 L HA 0.227 4.566 4.340 -0.002 0.000 0.278 13 L C -0.054 176.341 176.870 -0.792 0.000 0.996 13 L CA -0.821 53.599 54.840 -0.699 0.000 0.825 13 L CB 0.805 42.661 42.059 -0.338 0.000 1.243 13 L HN 0.398 nan 8.230 nan 0.000 0.412 14 F N 1.135 120.045 119.950 -1.732 0.000 3.093 14 F HA -0.296 4.229 4.527 -0.003 0.000 0.287 14 F C 0.541 175.945 175.800 -0.660 0.000 0.882 14 F CA 1.024 58.226 58.000 -1.330 0.000 1.063 14 F CB -1.770 36.811 39.000 -0.697 0.000 1.097 14 F HN 0.626 nan 8.300 nan 0.000 0.604 15 S N -2.550 112.794 115.700 -0.593 0.000 2.615 15 S HA 0.730 5.198 4.470 -0.002 0.000 0.268 15 S C 0.370 174.894 174.600 -0.127 0.000 1.146 15 S CA -0.156 57.994 58.200 -0.083 0.000 0.818 15 S CB 1.439 64.645 63.200 0.010 0.000 1.111 15 S HN 1.741 nan 8.310 nan 0.000 0.465 16 G N 1.861 110.720 108.800 0.099 0.000 2.651 16 G HA2 -0.403 3.556 3.960 -0.002 0.000 0.315 16 G HA3 -0.403 3.556 3.960 -0.002 0.000 0.315 16 G C 1.208 176.153 174.900 0.075 0.000 1.258 16 G CA 2.134 47.286 45.100 0.088 0.000 1.002 16 G HN 2.383 nan 8.290 nan 0.000 0.551 17 T N -1.574 112.991 114.554 0.018 0.000 3.007 17 T HA 0.075 4.424 4.350 -0.002 0.000 0.270 17 T C 2.095 176.745 174.700 -0.083 0.000 1.107 17 T CA 1.900 63.999 62.100 -0.000 0.000 1.118 17 T CB -0.176 68.691 68.868 -0.001 0.000 0.889 17 T HN 0.831 nan 8.240 nan 0.000 0.506 18 F N 0.693 120.414 119.950 -0.381 0.000 2.161 18 F HA 0.031 4.556 4.527 -0.003 0.000 0.300 18 F C 1.772 177.245 175.800 -0.545 0.000 1.089 18 F CA 0.971 58.601 58.000 -0.618 0.000 1.282 18 F CB -0.404 38.035 39.000 -0.934 0.000 1.010 18 F HN 0.191 nan 8.300 nan 0.000 0.485 19 W N 0.213 121.474 121.300 -0.065 0.000 2.388 19 W HA -0.151 4.509 4.660 0.001 0.000 0.294 19 W C 2.610 178.972 176.519 -0.262 0.000 1.212 19 W CA 0.893 58.168 57.345 -0.116 0.000 1.271 19 W CB -0.720 28.783 29.460 0.072 0.000 1.126 19 W HN 0.063 nan 8.180 nan 0.000 0.535 20 Q N 0.566 120.386 119.800 0.033 0.000 2.046 20 Q HA -0.156 4.182 4.340 -0.002 0.000 0.200 20 Q C 0.273 176.090 176.000 -0.306 0.000 0.975 20 Q CA 1.311 57.100 55.803 -0.024 0.000 0.836 20 Q CB -0.059 28.715 28.738 0.060 0.000 0.896 20 Q HN -0.012 nan 8.270 nan 0.000 0.428 21 N N -1.049 117.433 118.700 -0.363 0.000 2.664 21 N HA 0.175 4.914 4.740 -0.002 0.000 0.268 21 N C -2.616 172.498 175.510 -0.660 0.000 1.222 21 N CA -1.464 51.333 53.050 -0.421 0.000 0.805 21 N CB 1.796 40.159 38.487 -0.207 0.000 1.399 21 N HN -0.061 nan 8.380 nan 0.000 0.547 22 P HA 0.022 nan 4.420 nan 0.000 0.240 22 P C 0.822 177.351 177.300 -1.285 0.000 1.190 22 P CA 0.617 62.672 63.100 -1.742 0.000 0.781 22 P CB 0.359 30.462 31.700 -2.662 0.000 0.931 23 H N 1.193 119.881 119.070 -0.637 0.000 2.319 23 H HA -0.046 4.508 4.556 -0.002 0.000 0.297 23 H C -0.519 174.644 175.328 -0.274 0.000 1.097 23 H CA 2.023 57.888 56.048 -0.304 0.000 1.285 23 H CB -2.232 27.396 29.762 -0.223 0.000 1.368 23 H HN 0.269 nan 8.280 nan 0.000 0.495 24 P HA -0.080 nan 4.420 nan 0.000 0.216 24 P C 1.568 178.528 177.300 -0.566 0.000 1.150 24 P CA 1.715 64.584 63.100 -0.385 0.000 0.837 24 P CB -0.136 31.276 31.700 -0.481 0.000 0.786 25 A N -1.403 121.078 122.820 -0.566 0.000 1.902 25 A HA -0.221 4.098 4.320 -0.002 0.000 0.217 25 A C 1.980 179.517 177.584 -0.079 0.000 1.181 25 A CA 1.386 53.236 52.037 -0.312 0.000 0.623 25 A CB -1.869 17.044 19.000 -0.145 0.000 0.818 25 A HN 0.093 nan 8.150 nan 0.000 0.443 26 Y N -0.068 120.170 120.300 -0.104 0.000 2.224 26 Y HA -0.078 4.471 4.550 -0.002 0.000 0.289 26 Y C 2.898 178.790 175.900 -0.012 0.000 1.146 26 Y CA 0.293 58.369 58.100 -0.040 0.000 1.182 26 Y CB -1.034 37.383 38.460 -0.072 0.000 0.983 26 Y HN 0.340 nan 8.280 nan 0.000 0.524 27 A N -0.166 122.725 122.820 0.118 0.000 1.897 27 A HA -0.016 4.303 4.320 -0.002 0.000 0.215 27 A C 2.493 180.123 177.584 0.076 0.000 1.181 27 A CA 1.638 53.725 52.037 0.082 0.000 0.620 27 A CB -1.124 17.897 19.000 0.036 0.000 0.821 27 A HN 0.344 nan 8.150 nan 0.000 0.443 28 A N -0.301 122.555 122.820 0.060 0.000 1.972 28 A HA 0.010 4.329 4.320 -0.002 0.000 0.219 28 A C 2.151 179.797 177.584 0.104 0.000 1.169 28 A CA 1.373 53.472 52.037 0.104 0.000 0.635 28 A CB -0.534 18.583 19.000 0.194 0.000 0.810 28 A HN 0.471 nan 8.150 nan 0.000 0.446 29 L N -1.067 120.223 121.223 0.113 0.000 2.027 29 L HA -0.170 4.169 4.340 -0.002 0.000 0.206 29 L C 2.822 179.751 176.870 0.099 0.000 1.074 29 L CA 1.422 56.328 54.840 0.111 0.000 0.745 29 L CB -0.524 41.620 42.059 0.142 0.000 0.898 29 L HN 0.343 nan 8.230 nan 0.000 0.433 30 R N -0.078 120.483 120.500 0.102 0.000 2.127 30 R HA -0.145 4.194 4.340 -0.002 0.000 0.238 30 R C 2.208 178.557 176.300 0.082 0.000 1.134 30 R CA 1.352 57.506 56.100 0.090 0.000 0.975 30 R CB -0.365 29.991 30.300 0.095 0.000 0.865 30 R HN 0.385 nan 8.270 nan 0.000 0.447 31 A N 0.567 123.434 122.820 0.079 0.000 1.956 31 A HA -0.014 4.305 4.320 -0.002 0.000 0.212 31 A C 1.606 179.228 177.584 0.064 0.000 1.188 31 A CA 0.588 52.667 52.037 0.069 0.000 0.675 31 A CB 0.296 19.336 19.000 0.067 0.000 0.845 31 A HN 0.076 nan 8.150 nan 0.000 0.455 32 E N -0.947 119.293 120.200 0.067 0.000 2.413 32 E HA 0.102 4.450 4.350 -0.002 0.000 0.203 32 E C -0.693 175.943 176.600 0.059 0.000 0.957 32 E CA 0.355 56.790 56.400 0.058 0.000 0.950 32 E CB 0.634 30.367 29.700 0.055 0.000 0.957 32 E HN 0.389 nan 8.360 nan 0.000 0.497 33 D N -0.127 120.314 120.400 0.068 0.000 3.250 33 D HA 0.082 4.720 4.640 -0.002 0.000 0.252 33 D C -2.285 174.066 176.300 0.084 0.000 1.342 33 D CA -0.980 53.063 54.000 0.071 0.000 0.807 33 D CB 0.911 41.745 40.800 0.058 0.000 1.449 33 D HN -0.155 nan 8.370 nan 0.000 0.610 34 P HA 0.053 nan 4.420 nan 0.000 0.245 34 P C 0.003 177.356 177.300 0.088 0.000 1.212 34 P CA 0.281 63.431 63.100 0.084 0.000 0.774 34 P CB 0.621 32.369 31.700 0.081 0.000 0.999 35 V N 0.802 120.789 119.914 0.122 0.000 2.595 35 V HA 0.318 4.437 4.120 -0.002 0.000 0.269 35 V C -0.311 175.942 176.094 0.266 0.000 0.982 35 V CA -0.654 61.754 62.300 0.179 0.000 0.873 35 V CB 1.630 33.556 31.823 0.172 0.000 1.051 35 V HN 0.008 nan 8.190 nan 0.000 0.466 36 R N 3.126 123.747 120.500 0.202 0.000 2.561 36 R HA 0.572 4.910 4.340 -0.002 0.000 0.297 36 R C -0.800 175.407 176.300 -0.155 0.000 0.969 36 R CA -0.634 55.493 56.100 0.045 0.000 0.879 36 R CB 1.590 31.902 30.300 0.019 0.000 1.178 36 R HN 0.483 nan 8.270 nan 0.000 0.445 37 K N 5.021 125.076 120.400 -0.575 0.000 2.285 37 K HA 0.277 4.595 4.320 -0.002 0.000 0.286 37 K C -0.896 175.391 176.600 -0.522 0.000 1.072 37 K CA -0.374 55.304 56.287 -1.015 0.000 0.913 37 K CB 0.420 31.992 32.500 -1.546 0.000 1.067 37 K HN 0.616 nan 8.250 nan 0.000 0.479 38 L N 3.885 124.863 121.223 -0.408 0.000 2.264 38 L HA 0.326 4.664 4.340 -0.002 0.000 0.289 38 L C 0.456 177.171 176.870 -0.258 0.000 1.044 38 L CA -0.629 54.046 54.840 -0.275 0.000 0.807 38 L CB 1.600 43.505 42.059 -0.257 0.000 1.192 38 L HN 0.673 nan 8.230 nan 0.000 0.425 39 A N 6.036 128.735 122.820 -0.201 0.000 3.048 39 A HA 0.345 4.663 4.320 -0.002 0.000 0.264 39 A C 0.373 177.884 177.584 -0.121 0.000 1.796 39 A CA -0.343 51.602 52.037 -0.154 0.000 1.445 39 A CB -0.876 18.051 19.000 -0.122 0.000 1.074 39 A HN 0.647 nan 8.150 nan 0.000 0.621 40 L N 0.668 121.807 121.223 -0.140 0.000 2.456 40 L HA 0.106 4.445 4.340 -0.002 0.000 0.272 40 L C -1.147 175.686 176.870 -0.062 0.000 1.189 40 L CA -1.485 53.288 54.840 -0.113 0.000 0.846 40 L CB 0.559 42.523 42.059 -0.159 0.000 1.111 40 L HN 0.311 nan 8.230 nan 0.000 0.475 41 P HA -0.149 nan 4.420 nan 0.000 0.218 41 P C 0.289 177.584 177.300 -0.008 0.000 1.146 41 P CA 1.230 64.324 63.100 -0.011 0.000 0.813 41 P CB 0.167 31.874 31.700 0.012 0.000 0.778 42 D N -0.813 119.582 120.400 -0.009 0.000 2.427 42 D HA 0.347 4.986 4.640 -0.002 0.000 0.224 42 D C 0.814 177.113 176.300 -0.001 0.000 1.157 42 D CA 0.351 54.352 54.000 0.002 0.000 0.828 42 D CB 0.296 41.105 40.800 0.015 0.000 0.974 42 D HN 0.082 nan 8.370 nan 0.000 0.498 43 G N 2.240 111.028 108.800 -0.020 0.000 2.528 43 G HA2 -0.063 3.895 3.960 -0.002 0.000 0.681 43 G HA3 -0.063 3.895 3.960 -0.002 0.000 0.681 43 G C -3.185 171.683 174.900 -0.054 0.000 1.340 43 G CA -1.174 43.914 45.100 -0.020 0.000 0.855 43 G HN -0.167 nan 8.290 nan 0.000 0.649 44 P HA 0.578 nan 4.420 nan 0.000 0.279 44 P C -0.537 176.688 177.300 -0.125 0.000 1.239 44 P CA -0.472 62.546 63.100 -0.137 0.000 0.789 44 P CB 2.045 33.646 31.700 -0.165 0.000 0.933 45 V N 3.982 123.775 119.914 -0.201 0.000 2.841 45 V HA 0.496 4.615 4.120 -0.002 0.000 0.310 45 V C -1.473 174.506 176.094 -0.191 0.000 1.090 45 V CA -0.789 61.434 62.300 -0.129 0.000 0.930 45 V CB 1.503 33.240 31.823 -0.142 0.000 1.014 45 V HN 0.432 nan 8.190 nan 0.000 0.425 46 W N 5.787 127.014 121.300 -0.122 0.000 2.315 46 W HA 0.644 5.302 4.660 -0.002 0.000 0.316 46 W C -0.335 176.108 176.519 -0.125 0.000 1.211 46 W CA -0.302 56.979 57.345 -0.107 0.000 1.201 46 W CB 1.389 30.789 29.460 -0.100 0.000 1.184 46 W HN 0.462 nan 8.180 nan 0.000 0.544 47 L N 4.652 125.937 121.223 0.104 0.000 2.325 47 L HA 0.547 4.885 4.340 -0.002 0.000 0.281 47 L C -1.320 175.575 176.870 0.042 0.000 1.004 47 L CA -0.744 54.125 54.840 0.048 0.000 0.823 47 L CB 0.631 42.734 42.059 0.074 0.000 1.236 47 L HN 0.184 nan 8.230 nan 0.000 0.415 48 L N 4.452 125.649 121.223 -0.045 0.000 2.276 48 L HA 0.526 4.865 4.340 -0.002 0.000 0.286 48 L C 1.273 178.098 176.870 -0.075 0.000 1.061 48 L CA 0.320 55.111 54.840 -0.082 0.000 0.807 48 L CB 1.463 43.389 42.059 -0.221 0.000 1.177 48 L HN 0.836 nan 8.230 nan 0.000 0.429 49 T N -1.237 113.301 114.554 -0.027 0.000 2.971 49 T HA 0.261 4.610 4.350 -0.002 0.000 0.252 49 T C 0.911 175.612 174.700 0.002 0.000 1.022 49 T CA -0.283 61.803 62.100 -0.023 0.000 0.980 49 T CB 0.093 68.980 68.868 0.032 0.000 1.044 49 T HN 0.302 nan 8.240 nan 0.000 0.501 50 R N 0.609 121.123 120.500 0.023 0.000 2.390 50 R HA 0.363 4.702 4.340 -0.002 0.000 0.291 50 R C 0.656 176.992 176.300 0.060 0.000 1.070 50 R CA -0.525 55.619 56.100 0.073 0.000 1.014 50 R CB 0.479 30.833 30.300 0.090 0.000 1.007 50 R HN 0.195 nan 8.270 nan 0.000 0.466 51 Y N 3.057 123.346 120.300 -0.019 0.000 2.114 51 Y HA -0.346 4.203 4.550 -0.002 0.000 0.282 51 Y C 2.023 177.879 175.900 -0.074 0.000 1.165 51 Y CA 2.331 60.381 58.100 -0.084 0.000 1.148 51 Y CB -0.092 38.322 38.460 -0.076 0.000 0.972 51 Y HN 0.774 nan 8.280 nan 0.000 0.504 52 A N 0.116 123.019 122.820 0.139 0.000 1.877 52 A HA -0.199 4.119 4.320 -0.002 0.000 0.216 52 A C 1.938 179.530 177.584 0.015 0.000 1.186 52 A CA 2.000 54.078 52.037 0.070 0.000 0.620 52 A CB -0.930 18.157 19.000 0.145 0.000 0.822 52 A HN 0.552 nan 8.150 nan 0.000 0.443 53 D N -0.192 120.239 120.400 0.051 0.000 2.104 53 D HA -0.123 4.516 4.640 -0.002 0.000 0.194 53 D C 2.091 178.324 176.300 -0.113 0.000 0.994 53 D CA 1.544 55.591 54.000 0.078 0.000 0.830 53 D CB -0.660 40.178 40.800 0.063 0.000 0.959 53 D HN 0.192 nan 8.370 nan 0.000 0.452 54 V N 0.802 120.594 119.914 -0.203 0.000 2.287 54 V HA -0.268 3.851 4.120 -0.002 0.000 0.248 54 V C 2.560 178.522 176.094 -0.219 0.000 1.053 54 V CA 2.050 64.168 62.300 -0.303 0.000 1.027 54 V CB -0.479 31.177 31.823 -0.278 0.000 0.646 54 V HN 0.140 nan 8.190 nan 0.000 0.447 55 R N 0.018 120.364 120.500 -0.258 0.000 2.096 55 R HA -0.202 4.137 4.340 -0.002 0.000 0.235 55 R C 2.341 178.681 176.300 0.067 0.000 1.127 55 R CA 2.002 58.004 56.100 -0.163 0.000 0.968 55 R CB -0.310 29.663 30.300 -0.545 0.000 0.861 55 R HN 0.678 nan 8.270 nan 0.000 0.440 56 E N -0.102 120.126 120.200 0.046 0.000 2.047 56 E HA -0.177 4.172 4.350 -0.002 0.000 0.191 56 E C 1.807 178.504 176.600 0.162 0.000 0.987 56 E CA 1.100 57.583 56.400 0.138 0.000 0.799 56 E CB -0.149 29.666 29.700 0.192 0.000 0.752 56 E HN 0.481 nan 8.360 nan 0.000 0.449 57 A N 0.428 123.283 122.820 0.057 0.000 1.978 57 A HA -0.172 4.147 4.320 -0.002 0.000 0.220 57 A C 1.927 179.474 177.584 -0.062 0.000 1.170 57 A CA 1.132 53.107 52.037 -0.102 0.000 0.636 57 A CB -0.970 17.750 19.000 -0.467 0.000 0.810 57 A HN 0.417 nan 8.150 nan 0.000 0.448 58 F N -0.467 119.481 119.950 -0.003 0.000 2.451 58 F HA -0.093 4.433 4.527 -0.003 0.000 0.299 58 F C 1.768 177.578 175.800 0.017 0.000 1.101 58 F CA 1.238 59.251 58.000 0.021 0.000 1.436 58 F CB 0.404 39.455 39.000 0.085 0.000 1.074 58 F HN 0.199 nan 8.300 nan 0.000 0.553 59 V N -4.362 115.675 119.914 0.205 0.000 3.253 59 V HA 0.224 4.343 4.120 -0.002 0.000 0.320 59 V C -0.360 175.779 176.094 0.076 0.000 1.442 59 V CA -0.437 61.923 62.300 0.099 0.000 1.097 59 V CB -0.095 31.765 31.823 0.061 0.000 1.008 59 V HN -0.065 nan 8.190 nan 0.000 0.463 60 D N 3.108 123.560 120.400 0.087 0.000 2.380 60 D HA 0.354 4.993 4.640 -0.002 0.000 0.230 60 D C -1.106 175.222 176.300 0.046 0.000 1.154 60 D CA -2.180 51.863 54.000 0.072 0.000 0.859 60 D CB 2.091 42.966 40.800 0.125 0.000 1.045 60 D HN 0.191 nan 8.370 nan 0.000 0.495 61 P HA -0.102 nan 4.420 nan 0.000 0.222 61 P C 0.892 178.196 177.300 0.007 0.000 1.147 61 P CA 0.629 63.744 63.100 0.025 0.000 0.790 61 P CB 0.325 32.037 31.700 0.019 0.000 0.780 62 R N -0.650 119.845 120.500 -0.007 0.000 2.237 62 R HA 0.071 4.410 4.340 -0.002 0.000 0.219 62 R C 0.885 177.152 176.300 -0.056 0.000 1.080 62 R CA 0.360 56.433 56.100 -0.045 0.000 0.995 62 R CB -0.530 29.750 30.300 -0.035 0.000 0.875 62 R HN 0.250 nan 8.270 nan 0.000 0.462 63 L N 1.483 122.695 121.223 -0.019 0.000 2.288 63 L HA 0.171 4.510 4.340 -0.002 0.000 0.283 63 L C 0.053 176.940 176.870 0.027 0.000 1.072 63 L CA -0.322 54.503 54.840 -0.026 0.000 0.862 63 L CB 1.375 43.394 42.059 -0.067 0.000 1.245 63 L HN -0.024 nan 8.230 nan 0.000 0.432 64 S N 1.444 117.189 115.700 0.076 0.000 2.632 64 S HA 0.298 4.767 4.470 -0.002 0.000 0.271 64 S C 1.069 175.850 174.600 0.302 0.000 1.260 64 S CA -0.639 57.673 58.200 0.186 0.000 1.010 64 S CB 0.975 64.319 63.200 0.239 0.000 0.965 64 S HN 0.453 nan 8.310 nan 0.000 0.534 65 K N 1.319 121.889 120.400 0.283 0.000 2.426 65 K HA 0.134 4.453 4.320 -0.002 0.000 0.193 65 K C -0.123 176.686 176.600 0.348 0.000 1.028 65 K CA 0.150 56.619 56.287 0.303 0.000 1.047 65 K CB -0.275 32.305 32.500 0.134 0.000 0.821 65 K HN 0.542 nan 8.250 nan 0.000 0.513 66 D N 1.195 121.765 120.400 0.283 0.000 2.338 66 D HA -0.052 4.587 4.640 -0.002 0.000 0.255 66 D C 1.056 177.246 176.300 -0.183 0.000 1.237 66 D CA -0.412 53.653 54.000 0.109 0.000 0.883 66 D CB 0.425 41.280 40.800 0.092 0.000 1.087 66 D HN 0.100 nan 8.370 nan 0.000 0.485 67 W N 5.226 126.102 121.300 -0.707 0.000 2.699 67 W HA 0.028 4.687 4.660 -0.003 0.000 0.249 67 W C 1.013 177.097 176.519 -0.724 0.000 1.280 67 W CA -0.135 56.417 57.345 -1.322 0.000 1.345 67 W CB -0.983 28.041 29.460 -0.727 0.000 1.128 67 W HN 0.384 nan 8.180 nan 0.000 0.642 68 R N -0.017 120.290 120.500 -0.321 0.000 2.189 68 R HA -0.108 4.231 4.340 -0.002 0.000 0.223 68 R C 1.674 177.784 176.300 -0.317 0.000 1.092 68 R CA 1.490 57.358 56.100 -0.386 0.000 0.989 68 R CB -0.769 29.359 30.300 -0.288 0.000 0.876 68 R HN 0.358 nan 8.270 nan 0.000 0.457 69 H N -0.082 118.885 119.070 -0.171 0.000 2.541 69 H HA -0.039 4.516 4.556 -0.002 0.000 0.289 69 H C 1.739 177.043 175.328 -0.041 0.000 1.054 69 H CA 0.901 56.908 56.048 -0.068 0.000 1.250 69 H CB 0.112 29.885 29.762 0.019 0.000 1.369 69 H HN 0.102 nan 8.280 nan 0.000 0.578 70 R N 0.153 120.645 120.500 -0.014 0.000 2.189 70 R HA 0.029 4.368 4.340 -0.002 0.000 0.218 70 R C 0.063 176.344 176.300 -0.033 0.000 1.074 70 R CA 0.441 56.553 56.100 0.020 0.000 0.991 70 R CB 0.129 30.425 30.300 -0.006 0.000 0.883 70 R HN 0.237 nan 8.270 nan 0.000 0.457 71 L N 2.498 123.663 121.223 -0.096 0.000 2.357 71 L HA 0.333 4.672 4.340 -0.002 0.000 0.273 71 L C -2.027 174.811 176.870 -0.052 0.000 1.080 71 L CA -2.414 52.368 54.840 -0.097 0.000 0.803 71 L CB 0.913 42.877 42.059 -0.157 0.000 1.174 71 L HN -0.138 nan 8.230 nan 0.000 0.443 72 P HA 0.056 nan 4.420 nan 0.000 0.274 72 P C 0.145 177.424 177.300 -0.035 0.000 1.237 72 P CA -0.341 62.746 63.100 -0.021 0.000 0.793 72 P CB 1.001 32.691 31.700 -0.016 0.000 0.977 73 E N 1.117 121.303 120.200 -0.024 0.000 2.114 73 E HA -0.220 4.129 4.350 -0.002 0.000 0.199 73 E C 1.218 177.797 176.600 -0.036 0.000 1.008 73 E CA 1.624 58.005 56.400 -0.032 0.000 0.810 73 E CB -0.483 29.206 29.700 -0.017 0.000 0.739 73 E HN 0.442 nan 8.360 nan 0.000 0.456 74 D N 0.210 120.593 120.400 -0.029 0.000 2.172 74 D HA -0.187 4.452 4.640 -0.002 0.000 0.196 74 D C 1.573 177.850 176.300 -0.039 0.000 0.999 74 D CA 1.213 55.195 54.000 -0.029 0.000 0.856 74 D CB -0.147 40.639 40.800 -0.023 0.000 0.934 74 D HN 0.151 nan 8.370 nan 0.000 0.453 75 Q N -1.056 118.714 119.800 -0.051 0.000 2.282 75 Q HA 0.223 4.562 4.340 -0.002 0.000 0.206 75 Q C 1.598 177.546 176.000 -0.086 0.000 0.878 75 Q CA -0.046 55.719 55.803 -0.065 0.000 0.944 75 Q CB 0.632 29.329 28.738 -0.069 0.000 1.100 75 Q HN 0.020 nan 8.270 nan 0.000 0.509 76 R N 0.103 120.553 120.500 -0.084 0.000 2.127 76 R HA 0.238 4.577 4.340 -0.002 0.000 0.217 76 R C 0.193 176.439 176.300 -0.091 0.000 1.074 76 R CA 0.592 56.628 56.100 -0.106 0.000 0.991 76 R CB 0.023 30.263 30.300 -0.100 0.000 0.895 76 R HN 0.169 nan 8.270 nan 0.000 0.450 77 A N 1.838 124.618 122.820 -0.066 0.000 2.567 77 A HA -0.014 4.305 4.320 -0.002 0.000 0.240 77 A C -0.378 177.178 177.584 -0.048 0.000 1.053 77 A CA 0.754 52.761 52.037 -0.050 0.000 0.755 77 A CB -0.092 18.885 19.000 -0.038 0.000 0.978 77 A HN 0.658 nan 8.150 nan 0.000 0.507 78 D N 0.197 120.574 120.400 -0.038 0.000 2.800 78 D HA -0.129 4.510 4.640 -0.002 0.000 0.232 78 D C -0.299 175.981 176.300 -0.032 0.000 1.137 78 D CA 1.055 55.038 54.000 -0.028 0.000 0.718 78 D CB -1.102 39.683 40.800 -0.024 0.000 1.084 78 D HN 0.483 nan 8.370 nan 0.000 0.432 79 M N -0.063 119.510 119.600 -0.044 0.000 2.423 79 M HA 0.369 4.848 4.480 -0.002 0.000 0.335 79 M C -2.015 174.295 176.300 0.016 0.000 1.177 79 M CA -1.808 53.462 55.300 -0.050 0.000 1.038 79 M CB 0.414 32.934 32.600 -0.132 0.000 1.641 79 M HN -0.305 nan 8.290 nan 0.000 0.455 80 P HA 0.160 nan 4.420 nan 0.000 0.269 80 P C 0.114 177.588 177.300 0.289 0.000 1.209 80 P CA -0.020 63.180 63.100 0.168 0.000 0.776 80 P CB 0.449 32.290 31.700 0.235 0.000 0.876 81 A N 2.125 125.058 122.820 0.189 0.000 2.015 81 A HA 0.064 4.383 4.320 -0.002 0.000 0.219 81 A C 0.964 178.623 177.584 0.126 0.000 1.163 81 A CA 1.846 53.986 52.037 0.172 0.000 0.646 81 A CB -0.773 18.269 19.000 0.070 0.000 0.806 81 A HN 0.669 nan 8.150 nan 0.000 0.448 82 T N -6.106 108.437 114.554 -0.018 0.000 2.868 82 T HA 0.524 4.873 4.350 -0.002 0.000 0.306 82 T C -2.714 171.701 174.700 -0.476 0.000 1.224 82 T CA -0.942 60.842 62.100 -0.526 0.000 1.012 82 T CB 1.949 70.643 68.868 -0.291 0.000 1.221 82 T HN -0.082 nan 8.240 nan 0.000 0.499 83 P HA 0.172 nan 4.420 nan 0.000 0.233 83 P C 0.337 177.520 177.300 -0.195 0.000 1.167 83 P CA 0.696 63.560 63.100 -0.394 0.000 0.770 83 P CB 0.142 31.547 31.700 -0.493 0.000 0.837 84 T N -0.774 113.655 114.554 -0.209 0.000 3.393 84 T HA 0.329 4.678 4.350 -0.002 0.000 0.359 84 T C -3.126 171.517 174.700 -0.096 0.000 1.380 84 T CA -1.343 60.689 62.100 -0.114 0.000 1.132 84 T CB 1.411 70.228 68.868 -0.084 0.000 1.284 84 T HN -0.316 nan 8.240 nan 0.000 0.477 85 P HA 0.201 nan 4.420 nan 0.000 0.286 85 P C 0.097 177.393 177.300 -0.006 0.000 1.577 85 P CA 0.092 63.178 63.100 -0.023 0.000 0.805 85 P CB -0.612 31.089 31.700 0.002 0.000 1.706 86 M N 0.252 119.843 119.600 -0.016 0.000 2.228 86 M HA 0.164 4.643 4.480 -0.002 0.000 0.351 86 M C 1.999 178.325 176.300 0.042 0.000 1.233 86 M CA 0.021 55.326 55.300 0.009 0.000 1.129 86 M CB 0.743 33.341 32.600 -0.002 0.000 1.604 86 M HN 0.054 nan 8.290 nan 0.000 0.457 87 M N 2.049 121.696 119.600 0.079 0.000 2.279 87 M HA -0.101 4.377 4.480 -0.002 0.000 0.264 87 M C 1.588 178.076 176.300 0.313 0.000 1.062 87 M CA 1.819 57.224 55.300 0.175 0.000 1.099 87 M CB -0.523 32.154 32.600 0.129 0.000 1.394 87 M HN 0.750 nan 8.290 nan 0.000 0.426 88 I N 1.233 121.922 120.570 0.198 0.000 2.700 88 I HA -0.151 4.018 4.170 -0.002 0.000 0.261 88 I C 1.033 177.135 176.117 -0.025 0.000 1.219 88 I CA 0.961 62.321 61.300 0.100 0.000 1.463 88 I CB 0.114 38.129 38.000 0.025 0.000 1.092 88 I HN 0.399 nan 8.210 nan 0.000 0.452 89 L N 1.020 122.261 121.223 0.029 0.000 2.741 89 L HA 0.306 4.644 4.340 -0.002 0.000 0.237 89 L C -0.029 176.865 176.870 0.041 0.000 1.178 89 L CA -0.239 54.594 54.840 -0.012 0.000 0.973 89 L CB -0.330 41.665 42.059 -0.107 0.000 1.255 89 L HN 0.201 nan 8.230 nan 0.000 0.498 90 M N -3.341 116.347 119.600 0.146 0.000 2.618 90 M HA 0.618 5.096 4.480 -0.002 0.000 0.281 90 M C -1.642 174.802 176.300 0.241 0.000 1.267 90 M CA -0.911 54.491 55.300 0.169 0.000 0.845 90 M CB 1.868 34.548 32.600 0.134 0.000 1.732 90 M HN -0.280 nan 8.290 nan 0.000 0.461 91 D N 0.638 121.149 120.400 0.185 0.000 2.440 91 D HA 0.599 5.238 4.640 -0.002 0.000 0.258 91 D C -2.592 173.797 176.300 0.148 0.000 1.092 91 D CA -1.321 52.771 54.000 0.152 0.000 1.016 91 D CB 0.575 41.458 40.800 0.139 0.000 1.141 91 D HN 0.299 nan 8.370 nan 0.000 0.552 92 P HA 0.094 nan 4.420 nan 0.000 0.267 92 P C -1.787 175.559 177.300 0.078 0.000 1.200 92 P CA -0.582 62.580 63.100 0.103 0.000 0.772 92 P CB 0.093 31.837 31.700 0.073 0.000 0.855 93 P HA 0.090 nan 4.420 nan 0.000 0.264 93 P C 0.384 177.710 177.300 0.043 0.000 1.259 93 P CA 0.593 63.722 63.100 0.048 0.000 0.841 93 P CB 0.417 32.136 31.700 0.031 0.000 1.232 94 D N -0.759 119.675 120.400 0.058 0.000 2.123 94 D HA -0.164 4.475 4.640 -0.002 0.000 0.200 94 D C 1.877 178.203 176.300 0.043 0.000 0.976 94 D CA 1.002 55.029 54.000 0.045 0.000 0.831 94 D CB -0.745 40.086 40.800 0.052 0.000 0.974 94 D HN 0.301 nan 8.370 nan 0.000 0.469 95 H N 0.740 119.823 119.070 0.022 0.000 2.352 95 H HA -0.104 4.450 4.556 -0.002 0.000 0.299 95 H C 1.353 176.670 175.328 -0.017 0.000 1.097 95 H CA 1.977 58.032 56.048 0.011 0.000 1.311 95 H CB 0.047 29.805 29.762 -0.007 0.000 1.377 95 H HN 0.044 nan 8.280 nan 0.000 0.504 96 T N 1.067 115.559 114.554 -0.103 0.000 2.746 96 T HA -0.139 4.209 4.350 -0.002 0.000 0.267 96 T C 2.179 176.791 174.700 -0.147 0.000 1.039 96 T CA 1.519 63.541 62.100 -0.131 0.000 1.142 96 T CB -0.152 68.716 68.868 0.000 0.000 0.866 96 T HN 0.373 nan 8.240 nan 0.000 0.444 97 R N 0.660 121.107 120.500 -0.088 0.000 2.062 97 R HA 0.051 4.390 4.340 -0.002 0.000 0.229 97 R C 2.410 178.663 176.300 -0.079 0.000 1.128 97 R CA 1.018 57.081 56.100 -0.062 0.000 0.960 97 R CB -0.405 29.877 30.300 -0.030 0.000 0.855 97 R HN 0.346 nan 8.270 nan 0.000 0.432 98 L N 0.327 121.491 121.223 -0.098 0.000 2.046 98 L HA -0.134 4.205 4.340 -0.002 0.000 0.208 98 L C 2.817 179.616 176.870 -0.118 0.000 1.077 98 L CA 1.505 56.294 54.840 -0.085 0.000 0.747 98 L CB -0.443 41.579 42.059 -0.062 0.000 0.896 98 L HN 0.200 nan 8.230 nan 0.000 0.432 99 R N 0.650 121.003 120.500 -0.245 0.000 2.105 99 R HA -0.192 4.147 4.340 -0.002 0.000 0.239 99 R C 2.321 178.556 176.300 -0.108 0.000 1.135 99 R CA 1.476 57.435 56.100 -0.236 0.000 0.967 99 R CB -0.215 29.795 30.300 -0.483 0.000 0.861 99 R HN 0.127 nan 8.270 nan 0.000 0.442 100 K N 0.364 120.706 120.400 -0.096 0.000 2.097 100 K HA -0.104 4.215 4.320 -0.002 0.000 0.205 100 K C 1.965 178.556 176.600 -0.015 0.000 1.050 100 K CA 1.441 57.702 56.287 -0.044 0.000 0.938 100 K CB -0.103 32.373 32.500 -0.041 0.000 0.718 100 K HN 0.268 nan 8.250 nan 0.000 0.442 101 L N 0.745 121.959 121.223 -0.016 0.000 2.042 101 L HA -0.200 4.139 4.340 -0.002 0.000 0.210 101 L C 2.383 179.272 176.870 0.032 0.000 1.076 101 L CA 1.379 56.221 54.840 0.004 0.000 0.749 101 L CB -0.573 41.486 42.059 0.001 0.000 0.893 101 L HN 0.079 nan 8.230 nan 0.000 0.432 102 V N -4.037 115.911 119.914 0.055 0.000 3.174 102 V HA 0.222 4.340 4.120 -0.002 0.000 0.254 102 V C 2.340 178.556 176.094 0.204 0.000 1.120 102 V CA 0.858 63.245 62.300 0.147 0.000 1.114 102 V CB -1.024 30.905 31.823 0.177 0.000 0.756 102 V HN 0.309 nan 8.190 nan 0.000 0.467 103 G N 2.495 111.364 108.800 0.114 0.000 2.505 103 G HA2 -0.354 3.604 3.960 -0.002 0.000 0.220 103 G HA3 -0.354 3.604 3.960 -0.002 0.000 0.220 103 G C 1.672 176.644 174.900 0.120 0.000 1.145 103 G CA 1.550 46.719 45.100 0.115 0.000 0.761 103 G HN 0.732 nan 8.290 nan 0.000 0.571 104 R N 0.255 120.795 120.500 0.067 0.000 2.120 104 R HA 0.073 4.412 4.340 -0.002 0.000 0.234 104 R C 2.280 178.576 176.300 -0.007 0.000 1.123 104 R CA 1.660 57.777 56.100 0.028 0.000 0.975 104 R CB -0.614 29.689 30.300 0.006 0.000 0.866 104 R HN 0.220 nan 8.270 nan 0.000 0.446 105 S N -0.200 115.483 115.700 -0.027 0.000 2.562 105 S HA 0.132 4.600 4.470 -0.002 0.000 0.221 105 S C 0.183 174.503 174.600 -0.465 0.000 0.975 105 S CA 0.419 58.478 58.200 -0.234 0.000 0.918 105 S CB 0.040 63.060 63.200 -0.300 0.000 0.772 105 S HN 0.282 nan 8.310 nan 0.000 0.531 106 F N 1.733 121.677 119.950 -0.010 0.000 2.814 106 F HA 0.190 4.716 4.527 -0.003 0.000 0.326 106 F C 1.142 176.937 175.800 -0.008 0.000 1.159 106 F CA -0.701 57.292 58.000 -0.012 0.000 1.234 106 F CB 0.025 39.015 39.000 -0.017 0.000 1.016 106 F HN -0.000 nan 8.300 nan 0.000 0.510 107 T N -2.907 111.704 114.554 0.096 0.000 2.813 107 T HA 0.150 4.499 4.350 -0.002 0.000 0.297 107 T C 1.512 176.246 174.700 0.057 0.000 1.036 107 T CA -0.502 61.640 62.100 0.070 0.000 1.044 107 T CB 1.458 70.347 68.868 0.035 0.000 0.993 107 T HN -0.055 nan 8.240 nan 0.000 0.535 108 V N 1.528 121.473 119.914 0.053 0.000 2.282 108 V HA -0.204 3.915 4.120 -0.002 0.000 0.249 108 V C 3.026 179.138 176.094 0.030 0.000 1.057 108 V CA 2.414 64.741 62.300 0.045 0.000 1.032 108 V CB -0.991 30.859 31.823 0.045 0.000 0.645 108 V HN 0.938 nan 8.190 nan 0.000 0.447 109 R N -0.541 119.971 120.500 0.020 0.000 2.081 109 R HA -0.120 4.219 4.340 -0.002 0.000 0.235 109 R C 2.576 178.875 176.300 -0.003 0.000 1.131 109 R CA 1.199 57.304 56.100 0.009 0.000 0.960 109 R CB -0.123 30.180 30.300 0.005 0.000 0.856 109 R HN 0.365 nan 8.270 nan 0.000 0.436 110 R N -0.276 120.216 120.500 -0.013 0.000 2.115 110 R HA -0.048 4.290 4.340 -0.002 0.000 0.230 110 R C 2.085 178.361 176.300 -0.039 0.000 1.111 110 R CA 0.994 57.070 56.100 -0.040 0.000 0.976 110 R CB -0.138 30.119 30.300 -0.073 0.000 0.870 110 R HN 0.293 nan 8.270 nan 0.000 0.445 111 M N 0.419 120.013 119.600 -0.011 0.000 2.236 111 M HA -0.042 4.436 4.480 -0.002 0.000 0.266 111 M C 1.521 177.828 176.300 0.011 0.000 1.070 111 M CA 1.043 56.347 55.300 0.007 0.000 1.137 111 M CB -1.035 31.594 32.600 0.047 0.000 1.378 111 M HN -0.022 nan 8.290 nan 0.000 0.426 112 N N 1.562 120.271 118.700 0.015 0.000 2.137 112 N HA -0.195 4.544 4.740 -0.002 0.000 0.190 112 N C 1.408 176.923 175.510 0.008 0.000 1.017 112 N CA 1.447 54.507 53.050 0.017 0.000 0.859 112 N CB -0.332 38.166 38.487 0.018 0.000 1.002 112 N HN 0.608 nan 8.380 nan 0.000 0.428 113 E N 0.205 120.404 120.200 -0.002 0.000 2.511 113 E HA -0.037 4.312 4.350 -0.002 0.000 0.196 113 E C 1.441 178.035 176.600 -0.010 0.000 1.066 113 E CA 0.242 56.638 56.400 -0.007 0.000 0.871 113 E CB -0.217 29.475 29.700 -0.013 0.000 0.863 113 E HN 0.353 nan 8.360 nan 0.000 0.520 114 L N 0.878 122.095 121.223 -0.010 0.000 2.418 114 L HA 0.011 4.350 4.340 -0.002 0.000 0.218 114 L C 2.511 179.381 176.870 -0.000 0.000 1.125 114 L CA 0.519 55.353 54.840 -0.010 0.000 0.835 114 L CB -0.181 41.870 42.059 -0.014 0.000 0.953 114 L HN 0.218 nan 8.230 nan 0.000 0.454 115 E N 1.132 121.336 120.200 0.008 0.000 2.097 115 E HA -0.231 4.118 4.350 -0.002 0.000 0.196 115 E C -0.633 175.975 176.600 0.013 0.000 1.000 115 E CA 1.443 57.852 56.400 0.015 0.000 0.804 115 E CB -0.462 29.251 29.700 0.021 0.000 0.740 115 E HN 0.299 nan 8.360 nan 0.000 0.454 116 P HA -0.179 nan 4.420 nan 0.000 0.215 116 P C 1.093 178.397 177.300 0.007 0.000 1.153 116 P CA 1.544 64.650 63.100 0.009 0.000 0.853 116 P CB -0.040 31.664 31.700 0.006 0.000 0.788 117 R N 0.050 120.551 120.500 0.002 0.000 2.073 117 R HA 0.025 4.364 4.340 -0.002 0.000 0.229 117 R C 2.154 178.451 176.300 -0.004 0.000 1.120 117 R CA 1.288 57.387 56.100 -0.002 0.000 0.967 117 R CB -1.550 28.745 30.300 -0.008 0.000 0.862 117 R HN 0.111 nan 8.270 nan 0.000 0.436 118 I N 0.172 120.739 120.570 -0.005 0.000 2.208 118 I HA -0.294 3.874 4.170 -0.002 0.000 0.245 118 I C 1.762 177.878 176.117 -0.001 0.000 1.097 118 I CA 1.874 63.168 61.300 -0.010 0.000 1.363 118 I CB -0.478 37.519 38.000 -0.004 0.000 1.051 118 I HN 0.227 nan 8.210 nan 0.000 0.413 119 T N 0.059 114.621 114.554 0.013 0.000 2.708 119 T HA -0.197 4.151 4.350 -0.002 0.000 0.266 119 T C 1.750 176.467 174.700 0.027 0.000 1.037 119 T CA 1.463 63.579 62.100 0.027 0.000 1.146 119 T CB -0.273 68.613 68.868 0.030 0.000 0.865 119 T HN 0.410 nan 8.240 nan 0.000 0.435 120 E N 0.547 120.757 120.200 0.017 0.000 2.058 120 E HA -0.099 4.250 4.350 -0.002 0.000 0.194 120 E C 2.208 178.818 176.600 0.017 0.000 0.997 120 E CA 1.083 57.493 56.400 0.017 0.000 0.801 120 E CB -0.322 29.384 29.700 0.010 0.000 0.746 120 E HN 0.466 nan 8.360 nan 0.000 0.450 121 I N 1.080 121.652 120.570 0.003 0.000 2.127 121 I HA -0.335 3.834 4.170 -0.002 0.000 0.241 121 I C 2.599 178.719 176.117 0.006 0.000 1.075 121 I CA 1.173 62.468 61.300 -0.009 0.000 1.334 121 I CB -0.468 37.510 38.000 -0.038 0.000 1.040 121 I HN 0.122 nan 8.210 nan 0.000 0.405 122 A N 0.588 123.414 122.820 0.009 0.000 1.865 122 A HA -0.271 4.048 4.320 -0.002 0.000 0.217 122 A C 1.998 179.675 177.584 0.155 0.000 1.191 122 A CA 2.303 54.385 52.037 0.075 0.000 0.623 122 A CB -0.743 18.308 19.000 0.084 0.000 0.826 122 A HN 0.375 nan 8.150 nan 0.000 0.444 123 D N -0.460 119.997 120.400 0.095 0.000 2.123 123 D HA -0.089 4.550 4.640 -0.002 0.000 0.196 123 D C 2.096 178.433 176.300 0.063 0.000 0.992 123 D CA 1.451 55.496 54.000 0.075 0.000 0.833 123 D CB -0.787 40.043 40.800 0.050 0.000 0.954 123 D HN 0.442 nan 8.370 nan 0.000 0.455 124 G N 0.787 109.619 108.800 0.053 0.000 2.446 124 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.217 124 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.217 124 G C 1.798 176.732 174.900 0.058 0.000 1.168 124 G CA 0.467 45.593 45.100 0.043 0.000 0.771 124 G HN 0.270 nan 8.290 nan 0.000 0.551 125 L N -0.213 121.068 121.223 0.097 0.000 2.093 125 L HA 0.061 4.400 4.340 -0.002 0.000 0.208 125 L C 2.865 179.803 176.870 0.114 0.000 1.085 125 L CA 0.405 55.328 54.840 0.138 0.000 0.755 125 L CB -0.322 41.883 42.059 0.243 0.000 0.904 125 L HN 0.175 nan 8.230 nan 0.000 0.435 126 L N -0.493 120.795 121.223 0.108 0.000 2.141 126 L HA -0.155 4.183 4.340 -0.002 0.000 0.209 126 L C 2.801 179.665 176.870 -0.010 0.000 1.094 126 L CA 0.962 55.804 54.840 0.003 0.000 0.763 126 L CB -0.667 41.394 42.059 0.003 0.000 0.908 126 L HN 0.228 nan 8.230 nan 0.000 0.437 127 A N 0.024 122.852 122.820 0.013 0.000 1.969 127 A HA -0.048 4.271 4.320 -0.002 0.000 0.218 127 A C 2.304 179.887 177.584 -0.001 0.000 1.169 127 A CA 1.579 53.618 52.037 0.004 0.000 0.635 127 A CB -0.823 18.184 19.000 0.012 0.000 0.810 127 A HN 0.426 nan 8.150 nan 0.000 0.445 128 G N -1.029 107.775 108.800 0.006 0.000 2.744 128 G HA2 0.335 4.294 3.960 -0.002 0.000 0.211 128 G HA3 0.335 4.294 3.960 -0.002 0.000 0.211 128 G C 0.561 175.457 174.900 -0.006 0.000 1.146 128 G CA -0.267 44.835 45.100 0.003 0.000 0.787 128 G HN 0.370 nan 8.290 nan 0.000 0.534 129 L N 2.319 123.532 121.223 -0.016 0.000 2.426 129 L HA 0.276 4.615 4.340 -0.002 0.000 0.271 129 L C -1.583 175.262 176.870 -0.042 0.000 1.169 129 L CA -1.713 53.108 54.840 -0.032 0.000 0.836 129 L CB 0.831 42.855 42.059 -0.058 0.000 1.112 129 L HN 0.020 nan 8.230 nan 0.000 0.465 130 P HA 0.087 nan 4.420 nan 0.000 0.274 130 P C 0.311 177.582 177.300 -0.048 0.000 1.237 130 P CA -0.434 62.644 63.100 -0.038 0.000 0.793 130 P CB 0.918 32.599 31.700 -0.032 0.000 0.977 131 T N -2.769 111.760 114.554 -0.042 0.000 3.014 131 T HA 0.038 4.387 4.350 -0.002 0.000 0.263 131 T C 0.442 175.116 174.700 -0.044 0.000 1.078 131 T CA 0.679 62.752 62.100 -0.046 0.000 1.135 131 T CB -0.234 68.612 68.868 -0.037 0.000 0.895 131 T HN 0.393 nan 8.240 nan 0.000 0.480 132 D N -0.416 119.962 120.400 -0.037 0.000 2.477 132 D HA 0.563 5.201 4.640 -0.002 0.000 0.234 132 D C 0.115 176.395 176.300 -0.032 0.000 1.048 132 D CA 0.725 54.706 54.000 -0.033 0.000 0.959 132 D CB 1.603 42.388 40.800 -0.026 0.000 1.408 132 D HN 0.539 nan 8.370 nan 0.000 0.496 133 G N 1.375 110.156 108.800 -0.031 0.000 2.733 133 G HA2 -0.043 3.916 3.960 -0.002 0.000 0.686 133 G HA3 -0.043 3.916 3.960 -0.002 0.000 0.686 133 G C -2.688 172.191 174.900 -0.034 0.000 1.373 133 G CA -0.644 44.438 45.100 -0.029 0.000 0.838 133 G HN 0.502 nan 8.290 nan 0.000 0.588 134 P HA 0.524 nan 4.420 nan 0.000 0.280 134 P C 0.111 177.388 177.300 -0.038 0.000 1.244 134 P CA -0.025 63.053 63.100 -0.036 0.000 0.784 134 P CB 1.541 33.222 31.700 -0.032 0.000 0.913 135 V N -0.291 119.597 119.914 -0.044 0.000 2.823 135 V HA 0.533 4.652 4.120 -0.002 0.000 0.312 135 V C -0.612 175.459 176.094 -0.039 0.000 1.072 135 V CA -1.056 61.220 62.300 -0.040 0.000 0.937 135 V CB 2.038 33.835 31.823 -0.043 0.000 1.013 135 V HN 0.353 nan 8.190 nan 0.000 0.430 136 D N 2.940 123.321 120.400 -0.032 0.000 2.374 136 D HA 0.193 4.831 4.640 -0.002 0.000 0.240 136 D C 0.656 176.951 176.300 -0.010 0.000 1.229 136 D CA -0.165 53.817 54.000 -0.031 0.000 0.895 136 D CB 1.269 42.046 40.800 -0.039 0.000 1.046 136 D HN 0.645 nan 8.370 nan 0.000 0.498 137 L N 4.637 125.854 121.223 -0.010 0.000 2.191 137 L HA -0.127 4.212 4.340 -0.002 0.000 0.212 137 L C 1.802 178.724 176.870 0.087 0.000 1.103 137 L CA 1.273 56.130 54.840 0.029 0.000 0.769 137 L CB -0.242 41.815 42.059 -0.004 0.000 0.908 137 L HN 0.497 nan 8.230 nan 0.000 0.438 138 M N -0.860 118.765 119.600 0.042 0.000 2.091 138 M HA -0.198 4.281 4.480 -0.002 0.000 0.259 138 M C 2.419 178.768 176.300 0.082 0.000 1.076 138 M CA 1.654 56.986 55.300 0.054 0.000 1.111 138 M CB -1.432 31.162 32.600 -0.010 0.000 1.291 138 M HN 0.222 nan 8.290 nan 0.000 0.417 139 R N 0.318 120.820 120.500 0.003 0.000 2.105 139 R HA -0.148 4.191 4.340 -0.002 0.000 0.239 139 R C 1.790 178.150 176.300 0.100 0.000 1.135 139 R CA 1.349 57.442 56.100 -0.012 0.000 0.967 139 R CB 0.061 30.307 30.300 -0.089 0.000 0.861 139 R HN 0.408 nan 8.270 nan 0.000 0.442 140 E N -1.583 118.674 120.200 0.095 0.000 2.299 140 E HA -0.137 4.212 4.350 -0.002 0.000 0.193 140 E C 0.631 177.354 176.600 0.204 0.000 0.998 140 E CA 0.913 57.384 56.400 0.118 0.000 0.851 140 E CB 0.274 30.020 29.700 0.076 0.000 0.795 140 E HN 0.475 nan 8.360 nan 0.000 0.492 141 Y N -0.752 119.575 120.300 0.045 0.000 3.260 141 Y HA 0.266 4.814 4.550 -0.003 0.000 0.202 141 Y C 2.137 178.065 175.900 0.047 0.000 0.962 141 Y CA 0.693 58.811 58.100 0.029 0.000 1.582 141 Y CB -0.216 38.244 38.460 -0.000 0.000 1.478 141 Y HN -0.078 nan 8.280 nan 0.000 0.384 142 A N 0.591 123.493 122.820 0.136 0.000 1.883 142 A HA -0.218 4.101 4.320 -0.002 0.000 0.217 142 A C 1.949 179.562 177.584 0.048 0.000 1.186 142 A CA 1.967 54.038 52.037 0.057 0.000 0.624 142 A CB -1.348 17.727 19.000 0.125 0.000 0.822 142 A HN 0.642 nan 8.150 nan 0.000 0.444 143 F N 0.354 120.279 119.950 -0.041 0.000 2.146 143 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 143 F C 2.516 178.260 175.800 -0.093 0.000 1.096 143 F CA 1.955 59.924 58.000 -0.052 0.000 1.275 143 F CB -0.118 38.865 39.000 -0.029 0.000 1.008 143 F HN 0.183 nan 8.300 nan 0.000 0.480 144 Q N 0.540 120.316 119.800 -0.039 0.000 2.079 144 Q HA -0.141 4.198 4.340 -0.002 0.000 0.200 144 Q C 2.501 178.363 176.000 -0.230 0.000 0.974 144 Q CA 1.888 57.609 55.803 -0.137 0.000 0.840 144 Q CB -0.621 28.106 28.738 -0.019 0.000 0.898 144 Q HN 0.510 nan 8.270 nan 0.000 0.430 145 I N 1.250 121.667 120.570 -0.255 0.000 2.099 145 I HA -0.247 3.921 4.170 -0.002 0.000 0.239 145 I C -0.684 175.306 176.117 -0.211 0.000 1.066 145 I CA 1.364 62.518 61.300 -0.243 0.000 1.324 145 I CB -1.428 36.386 38.000 -0.310 0.000 1.037 145 I HN 0.160 nan 8.210 nan 0.000 0.401 146 P HA -0.069 nan 4.420 nan 0.000 0.219 146 P C 1.945 179.073 177.300 -0.286 0.000 1.150 146 P CA 1.057 64.037 63.100 -0.201 0.000 0.814 146 P CB -0.012 31.589 31.700 -0.165 0.000 0.787 147 V N 0.272 119.901 119.914 -0.476 0.000 2.307 147 V HA -0.264 3.855 4.120 -0.002 0.000 0.245 147 V C 2.693 178.615 176.094 -0.287 0.000 1.045 147 V CA 1.808 63.754 62.300 -0.590 0.000 1.024 147 V CB -1.276 29.970 31.823 -0.962 0.000 0.651 147 V HN 0.145 nan 8.190 nan 0.000 0.449 148 Q N -0.401 119.270 119.800 -0.215 0.000 2.030 148 Q HA -0.202 4.137 4.340 -0.002 0.000 0.204 148 Q C 2.376 178.330 176.000 -0.077 0.000 0.986 148 Q CA 2.134 57.872 55.803 -0.108 0.000 0.843 148 Q CB -0.482 28.202 28.738 -0.089 0.000 0.904 148 Q HN 0.559 nan 8.270 nan 0.000 0.420 149 V N 0.862 120.722 119.914 -0.090 0.000 2.282 149 V HA -0.271 3.848 4.120 -0.002 0.000 0.249 149 V C 2.198 178.274 176.094 -0.030 0.000 1.057 149 V CA 1.660 63.928 62.300 -0.053 0.000 1.032 149 V CB -0.485 31.309 31.823 -0.048 0.000 0.645 149 V HN 0.297 nan 8.190 nan 0.000 0.447 150 I N -0.644 119.899 120.570 -0.044 0.000 2.353 150 I HA -0.172 3.996 4.170 -0.002 0.000 0.248 150 I C 2.369 178.492 176.117 0.010 0.000 1.119 150 I CA 1.273 62.573 61.300 0.000 0.000 1.417 150 I CB -0.444 37.556 38.000 0.001 0.000 1.078 150 I HN 0.318 nan 8.210 nan 0.000 0.421 151 C N 0.318 119.619 119.300 0.003 0.000 2.429 151 C HA -0.154 4.305 4.460 -0.002 0.000 0.277 151 C C 2.595 177.602 174.990 0.028 0.000 1.262 151 C CA 1.042 60.086 59.018 0.042 0.000 1.733 151 C CB -1.144 26.646 27.740 0.083 0.000 2.010 151 C HN 0.514 nan 8.230 nan 0.000 0.483 152 E N 0.089 120.295 120.200 0.009 0.000 2.107 152 E HA -0.165 4.184 4.350 -0.002 0.000 0.191 152 E C 2.004 178.600 176.600 -0.007 0.000 0.982 152 E CA 0.640 57.042 56.400 0.003 0.000 0.809 152 E CB -0.252 29.444 29.700 -0.007 0.000 0.756 152 E HN 0.411 nan 8.360 nan 0.000 0.459 153 L N 1.032 122.251 121.223 -0.007 0.000 1.989 153 L HA -0.184 4.155 4.340 -0.002 0.000 0.211 153 L C 1.959 178.821 176.870 -0.015 0.000 1.071 153 L CA 1.779 56.606 54.840 -0.021 0.000 0.749 153 L CB -0.441 41.618 42.059 0.001 0.000 0.890 153 L HN 0.127 nan 8.230 nan 0.000 0.431 154 L N -1.163 120.068 121.223 0.013 0.000 2.209 154 L HA 0.236 4.574 4.340 -0.002 0.000 0.207 154 L C 1.264 178.138 176.870 0.006 0.000 1.094 154 L CA 0.623 55.472 54.840 0.015 0.000 0.790 154 L CB -0.635 41.438 42.059 0.024 0.000 0.932 154 L HN 0.527 nan 8.230 nan 0.000 0.447 155 G N 1.253 110.061 108.800 0.013 0.000 2.526 155 G HA2 -0.175 3.783 3.960 -0.002 0.000 0.225 155 G HA3 -0.175 3.783 3.960 -0.002 0.000 0.225 155 G C -0.413 174.513 174.900 0.044 0.000 1.120 155 G CA -0.592 44.521 45.100 0.022 0.000 0.904 155 G HN 0.109 nan 8.290 nan 0.000 0.498 156 L N 0.876 122.136 121.223 0.062 0.000 2.275 156 L HA 0.434 4.773 4.340 -0.002 0.000 0.288 156 L C -1.665 175.331 176.870 0.210 0.000 1.046 156 L CA -2.237 52.671 54.840 0.115 0.000 0.805 156 L CB 1.307 43.355 42.059 -0.017 0.000 1.193 156 L HN -0.048 nan 8.230 nan 0.000 0.426 157 P HA -0.060 nan 4.420 nan 0.000 0.260 157 P C 0.415 177.865 177.300 0.250 0.000 1.172 157 P CA 0.129 63.371 63.100 0.235 0.000 0.760 157 P CB 0.920 32.781 31.700 0.268 0.000 0.773 158 A N 4.432 127.338 122.820 0.144 0.000 2.019 158 A HA -0.197 4.122 4.320 -0.002 0.000 0.219 158 A C 1.865 179.464 177.584 0.025 0.000 1.164 158 A CA 1.273 53.361 52.037 0.085 0.000 0.644 158 A CB -0.657 18.372 19.000 0.048 0.000 0.805 158 A HN 0.522 nan 8.150 nan 0.000 0.449 159 E N 0.282 120.510 120.200 0.047 0.000 2.268 159 E HA -0.137 4.212 4.350 -0.002 0.000 0.195 159 E C 0.534 177.106 176.600 -0.046 0.000 0.995 159 E CA 1.090 57.497 56.400 0.011 0.000 0.836 159 E CB -0.165 29.564 29.700 0.049 0.000 0.763 159 E HN 0.670 nan 8.360 nan 0.000 0.491 160 D N -0.230 120.137 120.400 -0.055 0.000 2.379 160 D HA 0.063 4.701 4.640 -0.002 0.000 0.208 160 D C 1.638 177.355 176.300 -0.971 0.000 1.065 160 D CA -0.154 53.683 54.000 -0.271 0.000 0.848 160 D CB 0.174 40.991 40.800 0.027 0.000 0.949 160 D HN 0.050 nan 8.370 nan 0.000 0.509 161 R N 1.066 121.043 120.500 -0.871 0.000 2.140 161 R HA -0.172 4.166 4.340 -0.002 0.000 0.250 161 R C 1.390 177.164 176.300 -0.876 0.000 1.150 161 R CA 1.466 56.901 56.100 -1.109 0.000 0.966 161 R CB -0.013 30.091 30.300 -0.326 0.000 0.869 161 R HN 0.051 nan 8.270 nan 0.000 0.445 162 D N -0.159 119.910 120.400 -0.551 0.000 2.219 162 D HA -0.104 4.534 4.640 -0.002 0.000 0.205 162 D C 1.327 177.296 176.300 -0.552 0.000 0.970 162 D CA 0.948 54.708 54.000 -0.400 0.000 0.851 162 D CB -0.170 40.475 40.800 -0.257 0.000 0.943 162 D HN 0.152 nan 8.370 nan 0.000 0.488 163 D N -0.180 119.764 120.400 -0.761 0.000 2.084 163 D HA -0.100 4.539 4.640 -0.002 0.000 0.199 163 D C 1.933 177.232 176.300 -1.668 0.000 0.981 163 D CA 0.675 54.056 54.000 -1.032 0.000 0.841 163 D CB -0.273 40.026 40.800 -0.834 0.000 0.997 163 D HN 0.319 nan 8.370 nan 0.000 0.454 164 F N 0.667 119.845 119.950 -1.286 0.000 2.502 164 F HA 0.144 4.672 4.527 0.001 0.000 0.298 164 F C 2.125 177.598 175.800 -0.545 0.000 1.111 164 F CA 0.211 57.628 58.000 -0.971 0.000 1.445 164 F CB -0.948 37.748 39.000 -0.505 0.000 1.081 164 F HN -0.225 nan 8.300 nan 0.000 0.558 165 S N 1.180 116.659 115.700 -0.368 0.000 2.368 165 S HA -0.108 4.361 4.470 -0.002 0.000 0.225 165 S C 2.447 176.985 174.600 -0.103 0.000 1.030 165 S CA 1.149 59.324 58.200 -0.040 0.000 0.999 165 S CB -0.826 62.477 63.200 0.171 0.000 0.844 165 S HN 0.575 nan 8.310 nan 0.000 0.459 166 A N 1.555 124.198 122.820 -0.294 0.000 1.877 166 A HA -0.123 4.195 4.320 -0.002 0.000 0.216 166 A C 1.935 179.495 177.584 -0.039 0.000 1.186 166 A CA 1.426 53.338 52.037 -0.208 0.000 0.620 166 A CB -0.865 17.961 19.000 -0.290 0.000 0.822 166 A HN 0.655 nan 8.150 nan 0.000 0.443 167 W N -0.256 121.042 121.300 -0.003 0.000 2.379 167 W HA -0.052 4.606 4.660 -0.004 0.000 0.307 167 W C 2.913 179.433 176.519 0.002 0.000 1.200 167 W CA 0.761 58.110 57.345 0.007 0.000 1.297 167 W CB -1.666 27.806 29.460 0.021 0.000 1.140 167 W HN 0.424 nan 8.180 nan 0.000 0.507 168 S N 0.987 116.795 115.700 0.181 0.000 2.372 168 S HA -0.239 4.229 4.470 -0.002 0.000 0.227 168 S C 2.236 176.895 174.600 0.098 0.000 1.044 168 S CA 2.878 61.128 58.200 0.083 0.000 1.050 168 S CB -0.678 62.469 63.200 -0.088 0.000 0.901 168 S HN 0.279 nan 8.310 nan 0.000 0.447 169 S N 0.415 116.171 115.700 0.094 0.000 2.402 169 S HA -0.030 4.439 4.470 -0.002 0.000 0.229 169 S C 1.816 176.459 174.600 0.072 0.000 1.021 169 S CA 1.217 59.469 58.200 0.087 0.000 0.974 169 S CB -0.773 62.461 63.200 0.058 0.000 0.800 169 S HN 0.370 nan 8.310 nan 0.000 0.484 170 V N 2.194 122.158 119.914 0.084 0.000 2.490 170 V HA -0.079 4.040 4.120 -0.002 0.000 0.250 170 V C 2.456 178.592 176.094 0.071 0.000 1.061 170 V CA 1.622 63.968 62.300 0.076 0.000 1.064 170 V CB -0.846 31.038 31.823 0.102 0.000 0.670 170 V HN 0.516 nan 8.190 nan 0.000 0.461 171 L N 0.276 121.549 121.223 0.082 0.000 2.291 171 L HA -0.054 4.284 4.340 -0.002 0.000 0.214 171 L C 2.209 179.119 176.870 0.065 0.000 1.120 171 L CA 1.267 56.148 54.840 0.069 0.000 0.799 171 L CB -0.457 41.644 42.059 0.071 0.000 0.925 171 L HN 0.482 nan 8.230 nan 0.000 0.446 172 V N -5.728 114.230 119.914 0.073 0.000 3.621 172 V HA 0.224 4.343 4.120 -0.002 0.000 0.263 172 V C 0.731 176.869 176.094 0.073 0.000 1.272 172 V CA -0.156 62.191 62.300 0.079 0.000 1.080 172 V CB 0.063 31.943 31.823 0.095 0.000 0.816 172 V HN 0.047 nan 8.190 nan 0.000 0.451 173 D N 1.596 122.028 120.400 0.052 0.000 2.398 173 D HA 0.239 4.878 4.640 -0.002 0.000 0.247 173 D C -0.230 176.084 176.300 0.023 0.000 1.227 173 D CA -0.040 53.973 54.000 0.021 0.000 0.980 173 D CB 0.628 41.427 40.800 -0.002 0.000 1.106 173 D HN 0.212 nan 8.370 nan 0.000 0.493 174 D N -0.199 120.197 120.400 -0.007 0.000 3.085 174 D HA 0.110 4.748 4.640 -0.002 0.000 0.243 174 D C -0.379 175.926 176.300 0.010 0.000 1.232 174 D CA 0.026 54.035 54.000 0.016 0.000 0.913 174 D CB -0.387 40.426 40.800 0.022 0.000 1.108 174 D HN 0.031 nan 8.370 nan 0.000 0.468 175 S N 1.747 117.457 115.700 0.016 0.000 2.585 175 S HA 0.266 4.735 4.470 -0.002 0.000 0.273 175 S C -2.059 172.558 174.600 0.028 0.000 1.339 175 S CA -1.133 57.079 58.200 0.020 0.000 1.028 175 S CB 0.646 63.863 63.200 0.028 0.000 0.906 175 S HN 0.217 nan 8.310 nan 0.000 0.528 176 P HA 0.087 nan 4.420 nan 0.000 0.267 176 P C 0.437 177.758 177.300 0.035 0.000 1.200 176 P CA -0.065 63.053 63.100 0.030 0.000 0.772 176 P CB 0.298 32.013 31.700 0.025 0.000 0.855 177 A N 2.713 125.556 122.820 0.039 0.000 1.986 177 A HA -0.248 4.071 4.320 -0.002 0.000 0.220 177 A C 1.840 179.447 177.584 0.038 0.000 1.171 177 A CA 1.997 54.062 52.037 0.046 0.000 0.640 177 A CB -1.076 17.958 19.000 0.056 0.000 0.811 177 A HN 0.467 nan 8.150 nan 0.000 0.451 178 D N 0.113 120.531 120.400 0.031 0.000 2.097 178 D HA -0.115 4.524 4.640 -0.002 0.000 0.195 178 D C 1.382 177.697 176.300 0.023 0.000 0.989 178 D CA 1.461 55.476 54.000 0.025 0.000 0.827 178 D CB -0.307 40.506 40.800 0.021 0.000 0.966 178 D HN 0.414 nan 8.370 nan 0.000 0.456 179 D N 0.293 120.710 120.400 0.028 0.000 2.144 179 D HA -0.077 4.562 4.640 -0.002 0.000 0.200 179 D C 1.937 178.260 176.300 0.038 0.000 0.978 179 D CA 0.685 54.705 54.000 0.034 0.000 0.833 179 D CB -0.084 40.738 40.800 0.037 0.000 0.961 179 D HN 0.249 nan 8.370 nan 0.000 0.470 180 K N 0.506 120.928 120.400 0.037 0.000 2.097 180 K HA -0.068 4.251 4.320 -0.002 0.000 0.206 180 K C 1.753 178.366 176.600 0.022 0.000 1.049 180 K CA 0.612 56.922 56.287 0.038 0.000 0.933 180 K CB 0.002 32.527 32.500 0.041 0.000 0.717 180 K HN 0.084 nan 8.250 nan 0.000 0.442 181 N N 1.167 119.877 118.700 0.016 0.000 2.080 181 N HA -0.123 4.616 4.740 -0.002 0.000 0.189 181 N C 1.875 177.370 175.510 -0.024 0.000 1.036 181 N CA 1.382 54.432 53.050 -0.000 0.000 0.846 181 N CB -0.371 38.121 38.487 0.008 0.000 1.015 181 N HN 0.150 nan 8.380 nan 0.000 0.423 182 A N 1.324 124.131 122.820 -0.021 0.000 1.873 182 A HA -0.102 4.217 4.320 -0.002 0.000 0.218 182 A C 2.406 179.930 177.584 -0.101 0.000 1.193 182 A CA 2.452 54.461 52.037 -0.047 0.000 0.629 182 A CB -1.104 17.885 19.000 -0.019 0.000 0.826 182 A HN 0.346 nan 8.150 nan 0.000 0.447 183 A N -0.880 121.907 122.820 -0.055 0.000 1.908 183 A HA -0.195 4.124 4.320 -0.002 0.000 0.218 183 A C 2.319 179.836 177.584 -0.112 0.000 1.181 183 A CA 2.108 54.105 52.037 -0.067 0.000 0.627 183 A CB -0.560 18.501 19.000 0.102 0.000 0.818 183 A HN 0.656 nan 8.150 nan 0.000 0.445 184 M N -0.391 119.180 119.600 -0.048 0.000 2.159 184 M HA -0.089 4.390 4.480 -0.002 0.000 0.263 184 M C 2.053 178.317 176.300 -0.061 0.000 1.063 184 M CA 1.833 57.114 55.300 -0.032 0.000 1.110 184 M CB -0.427 32.162 32.600 -0.018 0.000 1.374 184 M HN 0.413 nan 8.290 nan 0.000 0.411 185 G N 0.557 109.298 108.800 -0.098 0.000 2.421 185 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.216 185 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.216 185 G C 1.496 176.303 174.900 -0.154 0.000 1.171 185 G CA 0.935 45.980 45.100 -0.091 0.000 0.775 185 G HN 0.448 nan 8.290 nan 0.000 0.543 186 K N -0.224 119.954 120.400 -0.370 0.000 2.063 186 K HA 0.072 4.391 4.320 -0.002 0.000 0.208 186 K C 2.462 178.565 176.600 -0.830 0.000 1.048 186 K CA 0.774 56.622 56.287 -0.731 0.000 0.928 186 K CB -0.320 31.403 32.500 -1.295 0.000 0.713 186 K HN 0.224 nan 8.250 nan 0.000 0.442 187 L N 0.369 121.232 121.223 -0.600 0.000 2.083 187 L HA -0.219 4.119 4.340 -0.002 0.000 0.209 187 L C 2.743 179.639 176.870 0.043 0.000 1.083 187 L CA 1.203 55.978 54.840 -0.108 0.000 0.752 187 L CB -0.359 41.761 42.059 0.100 0.000 0.899 187 L HN 0.429 nan 8.230 nan 0.000 0.433 188 H N -0.437 118.587 119.070 -0.078 0.000 2.321 188 H HA -0.141 4.413 4.556 -0.003 0.000 0.300 188 H C 1.894 177.201 175.328 -0.036 0.000 1.087 188 H CA 1.713 57.737 56.048 -0.040 0.000 1.319 188 H CB -0.002 29.728 29.762 -0.053 0.000 1.379 188 H HN 0.361 nan 8.280 nan 0.000 0.501 189 G N 0.151 108.932 108.800 -0.032 0.000 2.545 189 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.217 189 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.217 189 G C 1.710 176.577 174.900 -0.054 0.000 1.218 189 G CA 1.058 46.121 45.100 -0.061 0.000 0.787 189 G HN 0.578 nan 8.290 nan 0.000 0.571 190 Y N 1.177 121.430 120.300 -0.078 0.000 2.096 190 Y HA -0.214 4.335 4.550 -0.002 0.000 0.278 190 Y C 2.557 178.476 175.900 0.032 0.000 1.192 190 Y CA 2.104 60.245 58.100 0.067 0.000 1.143 190 Y CB -0.343 38.303 38.460 0.310 0.000 0.963 190 Y HN 0.135 nan 8.280 nan 0.000 0.505 191 L N -1.274 119.929 121.223 -0.034 0.000 2.240 191 L HA -0.148 4.191 4.340 -0.002 0.000 0.211 191 L C 2.587 179.325 176.870 -0.220 0.000 1.106 191 L CA 0.960 55.717 54.840 -0.138 0.000 0.793 191 L CB -0.586 41.474 42.059 0.002 0.000 0.927 191 L HN 0.111 nan 8.230 nan 0.000 0.446 192 S N 0.086 115.626 115.700 -0.267 0.000 2.354 192 S HA -0.216 4.252 4.470 -0.002 0.000 0.219 192 S C 1.536 176.022 174.600 -0.189 0.000 1.035 192 S CA 1.757 59.803 58.200 -0.257 0.000 1.037 192 S CB -0.280 62.736 63.200 -0.307 0.000 0.956 192 S HN 0.451 nan 8.310 nan 0.000 0.428 193 D N 1.436 121.723 120.400 -0.188 0.000 2.126 193 D HA -0.136 4.503 4.640 -0.002 0.000 0.190 193 D C 1.903 178.085 176.300 -0.197 0.000 1.001 193 D CA 0.797 54.696 54.000 -0.167 0.000 0.841 193 D CB -0.715 39.992 40.800 -0.156 0.000 0.949 193 D HN 0.228 nan 8.370 nan 0.000 0.446 194 L N 0.194 121.227 121.223 -0.316 0.000 2.042 194 L HA -0.187 4.152 4.340 -0.002 0.000 0.210 194 L C 2.371 179.148 176.870 -0.156 0.000 1.076 194 L CA 1.071 55.739 54.840 -0.285 0.000 0.749 194 L CB -0.206 41.604 42.059 -0.415 0.000 0.893 194 L HN 0.094 nan 8.230 nan 0.000 0.432 195 L N -0.910 120.228 121.223 -0.141 0.000 2.093 195 L HA -0.185 4.154 4.340 -0.002 0.000 0.208 195 L C 2.650 179.477 176.870 -0.072 0.000 1.085 195 L CA 0.747 55.533 54.840 -0.090 0.000 0.755 195 L CB -0.533 41.476 42.059 -0.083 0.000 0.904 195 L HN 0.223 nan 8.230 nan 0.000 0.435 196 E N 0.441 120.594 120.200 -0.079 0.000 2.049 196 E HA -0.271 4.078 4.350 -0.002 0.000 0.198 196 E C 2.259 178.830 176.600 -0.048 0.000 1.007 196 E CA 1.316 57.681 56.400 -0.058 0.000 0.809 196 E CB -0.175 29.489 29.700 -0.059 0.000 0.749 196 E HN 0.328 nan 8.360 nan 0.000 0.450 197 R N 0.562 121.029 120.500 -0.056 0.000 2.241 197 R HA -0.076 4.263 4.340 -0.002 0.000 0.224 197 R C 1.949 178.230 176.300 -0.033 0.000 1.101 197 R CA 0.947 57.022 56.100 -0.041 0.000 0.995 197 R CB 0.179 30.451 30.300 -0.045 0.000 0.870 197 R HN 0.008 nan 8.270 nan 0.000 0.463 198 K N -0.408 119.969 120.400 -0.038 0.000 2.323 198 K HA -0.018 4.300 4.320 -0.002 0.000 0.197 198 K C 1.781 178.367 176.600 -0.023 0.000 1.043 198 K CA 0.472 56.742 56.287 -0.029 0.000 0.997 198 K CB 0.382 32.863 32.500 -0.032 0.000 0.807 198 K HN 0.263 nan 8.250 nan 0.000 0.497 199 R N 0.217 120.702 120.500 -0.025 0.000 2.153 199 R HA 0.050 4.389 4.340 -0.002 0.000 0.218 199 R C 1.690 177.980 176.300 -0.016 0.000 1.072 199 R CA 1.153 57.242 56.100 -0.020 0.000 0.990 199 R CB -0.698 29.590 30.300 -0.020 0.000 0.889 199 R HN -0.123 nan 8.270 nan 0.000 0.452 200 T N 0.712 115.256 114.554 -0.016 0.000 2.737 200 T HA -0.125 4.224 4.350 -0.002 0.000 0.265 200 T C 0.656 175.350 174.700 -0.010 0.000 1.038 200 T CA 1.352 63.444 62.100 -0.012 0.000 1.144 200 T CB -0.008 68.853 68.868 -0.012 0.000 0.866 200 T HN 0.323 nan 8.240 nan 0.000 0.434 201 E N 1.349 121.542 120.200 -0.011 0.000 3.374 201 E HA 0.272 4.620 4.350 -0.002 0.000 0.223 201 E C -2.764 173.831 176.600 -0.008 0.000 1.210 201 E CA -1.990 54.405 56.400 -0.007 0.000 0.987 201 E CB 1.035 30.732 29.700 -0.005 0.000 1.322 201 E HN 0.205 nan 8.360 nan 0.000 0.404 202 P HA 0.034 nan 4.420 nan 0.000 0.270 202 P C -0.784 176.511 177.300 -0.008 0.000 1.227 202 P CA 0.092 63.186 63.100 -0.010 0.000 0.788 202 P CB 0.681 32.374 31.700 -0.010 0.000 0.926 203 D N -1.616 118.779 120.400 -0.009 0.000 2.837 203 D HA 0.251 4.889 4.640 -0.002 0.000 0.294 203 D C -0.373 175.920 176.300 -0.011 0.000 1.158 203 D CA -0.415 53.581 54.000 -0.007 0.000 1.073 203 D CB -0.121 40.677 40.800 -0.003 0.000 1.419 203 D HN 0.136 nan 8.370 nan 0.000 0.584 204 D N -1.380 119.012 120.400 -0.013 0.000 2.363 204 D HA 0.360 4.999 4.640 -0.002 0.000 0.214 204 D C -0.302 175.983 176.300 -0.026 0.000 1.093 204 D CA -0.148 53.841 54.000 -0.019 0.000 0.837 204 D CB 0.208 40.997 40.800 -0.018 0.000 0.948 204 D HN 0.576 nan 8.370 nan 0.000 0.507 205 A N -0.149 122.657 122.820 -0.022 0.000 2.269 205 A HA 0.411 4.730 4.320 -0.002 0.000 0.319 205 A C 1.120 178.686 177.584 -0.029 0.000 1.110 205 A CA -0.584 51.436 52.037 -0.028 0.000 0.847 205 A CB 0.616 19.606 19.000 -0.017 0.000 1.161 205 A HN 0.233 nan 8.150 nan 0.000 0.497 206 L N 0.834 122.034 121.223 -0.039 0.000 2.081 206 L HA -0.195 4.144 4.340 -0.002 0.000 0.212 206 L C 2.047 178.910 176.870 -0.010 0.000 1.080 206 L CA 1.666 56.485 54.840 -0.034 0.000 0.754 206 L CB -0.293 41.739 42.059 -0.045 0.000 0.893 206 L HN 0.786 nan 8.230 nan 0.000 0.433 207 L N -1.574 119.647 121.223 -0.004 0.000 2.131 207 L HA -0.215 4.124 4.340 -0.002 0.000 0.210 207 L C 2.553 179.416 176.870 -0.012 0.000 1.092 207 L CA 1.289 56.127 54.840 -0.004 0.000 0.759 207 L CB -0.569 41.486 42.059 -0.007 0.000 0.903 207 L HN 0.253 nan 8.230 nan 0.000 0.435 208 S N -0.958 114.733 115.700 -0.014 0.000 2.387 208 S HA -0.163 4.306 4.470 -0.002 0.000 0.226 208 S C 2.207 176.798 174.600 -0.015 0.000 1.026 208 S CA 1.444 59.635 58.200 -0.016 0.000 0.972 208 S CB -0.012 63.179 63.200 -0.015 0.000 0.814 208 S HN 0.398 nan 8.310 nan 0.000 0.477 209 S N 1.115 116.805 115.700 -0.017 0.000 2.382 209 S HA 0.012 4.481 4.470 -0.002 0.000 0.228 209 S C 1.699 176.292 174.600 -0.012 0.000 1.027 209 S CA 0.947 59.136 58.200 -0.017 0.000 0.991 209 S CB -0.333 62.852 63.200 -0.025 0.000 0.823 209 S HN 0.458 nan 8.310 nan 0.000 0.469 210 L N 0.588 121.807 121.223 -0.007 0.000 2.270 210 L HA 0.118 4.457 4.340 -0.002 0.000 0.210 210 L C 2.442 179.309 176.870 -0.006 0.000 1.104 210 L CA 0.455 55.294 54.840 -0.002 0.000 0.804 210 L CB -0.415 41.648 42.059 0.008 0.000 0.937 210 L HN 0.314 nan 8.230 nan 0.000 0.450 211 L N 0.099 121.316 121.223 -0.010 0.000 2.046 211 L HA -0.232 4.106 4.340 -0.002 0.000 0.208 211 L C 2.873 179.736 176.870 -0.012 0.000 1.077 211 L CA 1.337 56.168 54.840 -0.014 0.000 0.747 211 L CB -0.371 41.677 42.059 -0.018 0.000 0.896 211 L HN 0.285 nan 8.230 nan 0.000 0.432 212 A N -0.643 122.171 122.820 -0.012 0.000 1.892 212 A HA -0.219 4.099 4.320 -0.002 0.000 0.218 212 A C 2.241 179.820 177.584 -0.009 0.000 1.188 212 A CA 2.175 54.206 52.037 -0.011 0.000 0.631 212 A CB -0.965 18.029 19.000 -0.011 0.000 0.822 212 A HN 0.271 nan 8.150 nan 0.000 0.447 213 V N -0.647 119.262 119.914 -0.008 0.000 2.237 213 V HA -0.233 3.886 4.120 -0.002 0.000 0.245 213 V C 2.794 178.885 176.094 -0.006 0.000 1.046 213 V CA 2.410 64.706 62.300 -0.006 0.000 1.007 213 V CB -0.864 30.956 31.823 -0.005 0.000 0.638 213 V HN 0.666 nan 8.190 nan 0.000 0.445 214 S N -0.635 115.062 115.700 -0.006 0.000 2.402 214 S HA -0.270 4.199 4.470 -0.002 0.000 0.233 214 S C 1.679 176.275 174.600 -0.006 0.000 1.030 214 S CA 2.079 60.275 58.200 -0.005 0.000 1.003 214 S CB -0.471 62.725 63.200 -0.007 0.000 0.813 214 S HN 0.668 nan 8.310 nan 0.000 0.477 215 D N 0.945 121.341 120.400 -0.008 0.000 2.137 215 D HA 0.007 4.646 4.640 -0.002 0.000 0.202 215 D C 1.844 178.140 176.300 -0.006 0.000 0.970 215 D CA 1.252 55.247 54.000 -0.008 0.000 0.837 215 D CB -0.276 40.518 40.800 -0.010 0.000 0.981 215 D HN 0.585 nan 8.370 nan 0.000 0.475 216 M N -0.712 118.884 119.600 -0.006 0.000 2.595 216 M HA 0.141 4.620 4.480 -0.002 0.000 0.248 216 M C -0.220 176.078 176.300 -0.004 0.000 1.119 216 M CA 0.650 55.947 55.300 -0.005 0.000 1.079 216 M CB 0.487 33.084 32.600 -0.005 0.000 1.472 216 M HN -0.304 nan 8.290 nan 0.000 0.501 217 D N 0.167 120.564 120.400 -0.004 0.000 2.362 217 D HA 0.254 4.893 4.640 -0.002 0.000 0.228 217 D C 0.500 176.799 176.300 -0.002 0.000 1.326 217 D CA -0.077 53.922 54.000 -0.003 0.000 0.927 217 D CB 0.828 41.627 40.800 -0.003 0.000 1.501 217 D HN 0.145 nan 8.370 nan 0.000 0.519 218 G N 1.541 110.340 108.800 -0.001 0.000 2.848 218 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.208 218 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.208 218 G C 0.918 175.819 174.900 0.002 0.000 1.152 218 G CA 0.209 45.309 45.100 0.001 0.000 0.789 218 G HN 0.367 nan 8.290 nan 0.000 0.531 219 D N 0.727 121.127 120.400 0.001 0.000 2.249 219 D HA -0.037 4.601 4.640 -0.002 0.000 0.205 219 D C 2.630 178.930 176.300 0.000 0.000 0.962 219 D CA 0.553 54.554 54.000 0.001 0.000 0.860 219 D CB 0.006 40.807 40.800 0.000 0.000 0.955 219 D HN 0.529 nan 8.370 nan 0.000 0.505 220 R N -0.390 120.109 120.500 -0.001 0.000 2.206 220 R HA 0.181 4.520 4.340 -0.002 0.000 0.198 220 R C 0.484 176.782 176.300 -0.003 0.000 0.986 220 R CA 0.104 56.202 56.100 -0.003 0.000 1.029 220 R CB 0.792 31.089 30.300 -0.005 0.000 0.966 220 R HN 0.009 nan 8.270 nan 0.000 0.487 221 L N 2.813 124.036 121.223 -0.001 0.000 2.620 221 L HA 0.282 4.621 4.340 -0.002 0.000 0.261 221 L C -0.868 176.003 176.870 0.002 0.000 0.978 221 L CA -0.230 54.610 54.840 0.001 0.000 0.897 221 L CB 2.012 44.071 42.059 -0.000 0.000 1.207 221 L HN 0.317 nan 8.230 nan 0.000 0.425 222 S N 3.095 118.799 115.700 0.006 0.000 2.669 222 S HA 0.248 4.717 4.470 -0.002 0.000 0.270 222 S C 0.883 175.489 174.600 0.010 0.000 1.225 222 S CA -0.322 57.883 58.200 0.008 0.000 0.991 222 S CB 1.723 64.930 63.200 0.012 0.000 0.987 222 S HN 0.668 nan 8.310 nan 0.000 0.552 223 Q N 0.616 120.422 119.800 0.010 0.000 2.029 223 Q HA -0.170 4.168 4.340 -0.002 0.000 0.209 223 Q C 1.917 177.931 176.000 0.023 0.000 0.999 223 Q CA 2.041 57.850 55.803 0.009 0.000 0.857 223 Q CB -0.577 28.168 28.738 0.011 0.000 0.926 223 Q HN 0.798 nan 8.270 nan 0.000 0.415 224 E N 0.374 120.601 120.200 0.045 0.000 2.106 224 E HA -0.147 4.202 4.350 -0.002 0.000 0.192 224 E C 1.851 178.486 176.600 0.058 0.000 0.984 224 E CA 0.777 57.224 56.400 0.078 0.000 0.806 224 E CB -0.065 29.677 29.700 0.070 0.000 0.750 224 E HN 0.497 nan 8.360 nan 0.000 0.458 225 E N 0.158 120.378 120.200 0.033 0.000 2.274 225 E HA -0.122 4.226 4.350 -0.002 0.000 0.194 225 E C 1.913 178.525 176.600 0.021 0.000 0.996 225 E CA 0.159 56.573 56.400 0.024 0.000 0.840 225 E CB 0.054 29.763 29.700 0.015 0.000 0.772 225 E HN 0.031 nan 8.360 nan 0.000 0.491 226 L N 0.157 121.389 121.223 0.016 0.000 2.068 226 L HA -0.089 4.250 4.340 -0.002 0.000 0.204 226 L C 2.102 178.975 176.870 0.005 0.000 1.076 226 L CA 1.257 56.101 54.840 0.007 0.000 0.753 226 L CB -0.259 41.797 42.059 -0.005 0.000 0.910 226 L HN -0.084 nan 8.230 nan 0.000 0.439 227 V N 0.275 120.190 119.914 0.001 0.000 2.407 227 V HA -0.246 3.872 4.120 -0.002 0.000 0.248 227 V C 2.756 178.874 176.094 0.041 0.000 1.055 227 V CA 1.562 63.856 62.300 -0.009 0.000 1.049 227 V CB -1.421 30.360 31.823 -0.071 0.000 0.662 227 V HN 0.573 nan 8.190 nan 0.000 0.455 228 A N -0.566 122.289 122.820 0.058 0.000 1.929 228 A HA -0.181 4.137 4.320 -0.002 0.000 0.216 228 A C 2.138 179.741 177.584 0.033 0.000 1.176 228 A CA 1.980 54.048 52.037 0.052 0.000 0.628 228 A CB -0.469 18.555 19.000 0.039 0.000 0.816 228 A HN 0.456 nan 8.150 nan 0.000 0.444 229 M N 0.507 120.124 119.600 0.027 0.000 2.080 229 M HA -0.070 4.409 4.480 -0.002 0.000 0.260 229 M C 2.151 178.468 176.300 0.028 0.000 1.068 229 M CA 1.927 57.242 55.300 0.025 0.000 1.109 229 M CB -0.592 32.022 32.600 0.025 0.000 1.342 229 M HN 0.361 nan 8.290 nan 0.000 0.405 230 A N -0.152 122.684 122.820 0.026 0.000 1.908 230 A HA -0.225 4.094 4.320 -0.002 0.000 0.218 230 A C 2.369 179.968 177.584 0.024 0.000 1.181 230 A CA 2.163 54.214 52.037 0.024 0.000 0.627 230 A CB -0.903 18.102 19.000 0.009 0.000 0.818 230 A HN 0.699 nan 8.150 nan 0.000 0.445 231 M N -1.088 118.532 119.600 0.033 0.000 2.086 231 M HA -0.128 4.350 4.480 -0.002 0.000 0.261 231 M C 2.117 178.437 176.300 0.034 0.000 1.067 231 M CA 1.995 57.319 55.300 0.042 0.000 1.116 231 M CB -0.221 32.414 32.600 0.059 0.000 1.348 231 M HN 0.438 nan 8.290 nan 0.000 0.407 232 L N 0.945 122.184 121.223 0.027 0.000 1.989 232 L HA -0.202 4.137 4.340 -0.002 0.000 0.211 232 L C 2.014 178.892 176.870 0.014 0.000 1.071 232 L CA 1.963 56.815 54.840 0.019 0.000 0.749 232 L CB -0.908 41.158 42.059 0.012 0.000 0.890 232 L HN 0.366 nan 8.230 nan 0.000 0.431 233 L N -1.153 120.076 121.223 0.010 0.000 2.083 233 L HA -0.220 4.119 4.340 -0.002 0.000 0.209 233 L C 2.553 179.452 176.870 0.048 0.000 1.083 233 L CA 1.419 56.264 54.840 0.008 0.000 0.752 233 L CB -0.535 41.548 42.059 0.040 0.000 0.899 233 L HN 0.423 nan 8.230 nan 0.000 0.433 234 L N -0.115 121.139 121.223 0.050 0.000 2.005 234 L HA -0.205 4.134 4.340 -0.002 0.000 0.207 234 L C 2.517 179.474 176.870 0.145 0.000 1.072 234 L CA 1.416 56.303 54.840 0.079 0.000 0.744 234 L CB -0.101 41.940 42.059 -0.030 0.000 0.895 234 L HN 0.087 nan 8.230 nan 0.000 0.433 235 I N 0.378 120.990 120.570 0.070 0.000 2.194 235 I HA -0.353 3.816 4.170 -0.002 0.000 0.246 235 I C 2.768 178.959 176.117 0.123 0.000 1.093 235 I CA 1.351 62.701 61.300 0.082 0.000 1.355 235 I CB -0.597 37.439 38.000 0.060 0.000 1.046 235 I HN 0.400 nan 8.210 nan 0.000 0.413 236 A N 0.699 123.570 122.820 0.085 0.000 1.902 236 A HA -0.118 4.201 4.320 -0.002 0.000 0.217 236 A C 2.384 180.017 177.584 0.082 0.000 1.181 236 A CA 1.818 53.894 52.037 0.066 0.000 0.623 236 A CB -1.367 17.635 19.000 0.005 0.000 0.818 236 A HN 0.476 nan 8.150 nan 0.000 0.443 237 G N -2.524 106.334 108.800 0.097 0.000 2.679 237 G HA2 -0.083 3.876 3.960 -0.002 0.000 0.212 237 G HA3 -0.083 3.876 3.960 -0.002 0.000 0.212 237 G C 1.267 176.153 174.900 -0.024 0.000 1.137 237 G CA 0.831 45.959 45.100 0.046 0.000 0.787 237 G HN 0.750 nan 8.290 nan 0.000 0.534 238 H N -0.823 118.247 119.070 -0.001 0.000 2.729 238 H HA 0.147 4.701 4.556 -0.003 0.000 0.263 238 H C 1.147 176.535 175.328 0.101 0.000 0.961 238 H CA 0.455 56.504 56.048 0.002 0.000 1.217 238 H CB 1.018 30.844 29.762 0.107 0.000 1.447 238 H HN 0.296 nan 8.280 nan 0.000 0.496 239 E N 0.339 120.668 120.200 0.216 0.000 2.601 239 E HA 0.056 4.405 4.350 -0.002 0.000 0.219 239 E C 1.348 178.040 176.600 0.153 0.000 0.964 239 E CA 0.374 56.892 56.400 0.197 0.000 1.050 239 E CB 1.095 30.901 29.700 0.177 0.000 1.068 239 E HN 0.464 nan 8.360 nan 0.000 0.496 240 T N -2.639 111.993 114.554 0.130 0.000 3.397 240 T HA 0.011 4.360 4.350 -0.002 0.000 0.233 240 T C 1.975 176.747 174.700 0.120 0.000 0.969 240 T CA 0.842 63.018 62.100 0.126 0.000 1.316 240 T CB -0.543 68.399 68.868 0.124 0.000 1.175 240 T HN -0.153 nan 8.240 nan 0.000 0.381 241 T N 2.453 117.067 114.554 0.100 0.000 2.803 241 T HA -0.079 4.270 4.350 -0.002 0.000 0.269 241 T C 1.979 176.723 174.700 0.073 0.000 1.052 241 T CA 1.248 63.401 62.100 0.089 0.000 1.136 241 T CB -0.808 68.094 68.868 0.056 0.000 0.864 241 T HN 0.257 nan 8.240 nan 0.000 0.467 242 V N 2.608 122.563 119.914 0.069 0.000 2.370 242 V HA -0.257 3.862 4.120 -0.002 0.000 0.252 242 V C 1.852 178.011 176.094 0.107 0.000 1.068 242 V CA 1.962 64.317 62.300 0.092 0.000 1.061 242 V CB -0.485 31.437 31.823 0.164 0.000 0.656 242 V HN 0.488 nan 8.190 nan 0.000 0.455 243 N N -0.448 118.323 118.700 0.117 0.000 2.415 243 N HA -0.010 4.728 4.740 -0.002 0.000 0.176 243 N C 1.581 177.157 175.510 0.110 0.000 1.042 243 N CA 1.143 54.266 53.050 0.122 0.000 0.902 243 N CB -0.139 38.435 38.487 0.145 0.000 0.986 243 N HN 0.478 nan 8.380 nan 0.000 0.447 244 L N 1.872 123.156 121.223 0.101 0.000 1.989 244 L HA -0.066 4.272 4.340 -0.002 0.000 0.211 244 L C 1.880 178.793 176.870 0.072 0.000 1.071 244 L CA 1.499 56.395 54.840 0.092 0.000 0.749 244 L CB -0.730 41.392 42.059 0.105 0.000 0.890 244 L HN 0.032 nan 8.230 nan 0.000 0.431 245 I N -0.726 119.889 120.570 0.075 0.000 2.163 245 I HA -0.176 3.992 4.170 -0.002 0.000 0.240 245 I C 2.556 178.710 176.117 0.062 0.000 1.081 245 I CA 1.235 62.578 61.300 0.072 0.000 1.353 245 I CB -1.368 36.677 38.000 0.075 0.000 1.054 245 I HN 0.396 nan 8.210 nan 0.000 0.407 246 G N 1.339 110.182 108.800 0.073 0.000 2.459 246 G HA2 -0.268 3.690 3.960 -0.002 0.000 0.217 246 G HA3 -0.268 3.690 3.960 -0.002 0.000 0.217 246 G C 1.426 176.356 174.900 0.050 0.000 1.183 246 G CA 1.074 46.212 45.100 0.062 0.000 0.776 246 G HN 0.306 nan 8.290 nan 0.000 0.552 247 N N 1.069 119.811 118.700 0.070 0.000 2.188 247 N HA -0.044 4.695 4.740 -0.002 0.000 0.184 247 N C 2.291 177.775 175.510 -0.045 0.000 1.018 247 N CA 1.279 54.384 53.050 0.092 0.000 0.858 247 N CB -0.796 37.782 38.487 0.153 0.000 0.989 247 N HN 0.327 nan 8.380 nan 0.000 0.426 248 G N 0.683 109.344 108.800 -0.232 0.000 2.394 248 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.215 248 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.215 248 G C 1.685 176.113 174.900 -0.787 0.000 1.165 248 G CA 0.601 45.138 45.100 -0.939 0.000 0.784 248 G HN 0.163 nan 8.290 nan 0.000 0.535 249 V N 0.808 120.580 119.914 -0.237 0.000 2.287 249 V HA -0.167 3.951 4.120 -0.002 0.000 0.248 249 V C 2.715 178.848 176.094 0.064 0.000 1.053 249 V CA 1.745 64.087 62.300 0.070 0.000 1.027 249 V CB -0.526 31.379 31.823 0.137 0.000 0.646 249 V HN 0.333 nan 8.190 nan 0.000 0.447 250 L N 0.588 121.828 121.223 0.028 0.000 2.083 250 L HA -0.089 4.250 4.340 -0.002 0.000 0.209 250 L C 2.467 179.402 176.870 0.107 0.000 1.083 250 L CA 2.215 57.105 54.840 0.083 0.000 0.752 250 L CB -0.959 41.168 42.059 0.113 0.000 0.899 250 L HN 0.241 nan 8.230 nan 0.000 0.433 251 A N -0.441 122.407 122.820 0.046 0.000 1.873 251 A HA -0.232 4.087 4.320 -0.002 0.000 0.218 251 A C 2.270 179.929 177.584 0.124 0.000 1.193 251 A CA 2.262 54.362 52.037 0.105 0.000 0.629 251 A CB -0.999 17.979 19.000 -0.036 0.000 0.826 251 A HN 0.487 nan 8.150 nan 0.000 0.447 252 L N -0.761 120.435 121.223 -0.046 0.000 2.083 252 L HA -0.160 4.178 4.340 -0.002 0.000 0.209 252 L C 2.544 179.456 176.870 0.071 0.000 1.083 252 L CA 0.937 55.743 54.840 -0.056 0.000 0.752 252 L CB -0.491 41.328 42.059 -0.399 0.000 0.899 252 L HN 0.384 nan 8.230 nan 0.000 0.433 253 L N -0.453 120.860 121.223 0.149 0.000 2.141 253 L HA -0.156 4.183 4.340 -0.002 0.000 0.209 253 L C 2.523 179.441 176.870 0.080 0.000 1.094 253 L CA 1.770 56.700 54.840 0.150 0.000 0.763 253 L CB -0.748 41.395 42.059 0.139 0.000 0.908 253 L HN 0.454 nan 8.230 nan 0.000 0.437 254 T N -5.265 109.336 114.554 0.077 0.000 3.107 254 T HA -0.007 4.342 4.350 -0.002 0.000 0.249 254 T C 0.314 174.843 174.700 -0.286 0.000 1.096 254 T CA 0.090 62.160 62.100 -0.050 0.000 1.012 254 T CB -0.234 68.623 68.868 -0.018 0.000 0.977 254 T HN 0.274 nan 8.240 nan 0.000 0.527 255 H N 1.040 120.106 119.070 -0.007 0.000 2.448 255 H HA 0.363 4.917 4.556 -0.002 0.000 0.237 255 H C -2.176 173.131 175.328 -0.035 0.000 1.391 255 H CA -1.874 54.153 56.048 -0.036 0.000 1.477 255 H CB 1.277 30.985 29.762 -0.089 0.000 1.520 255 H HN 0.056 nan 8.280 nan 0.000 0.502 256 P HA -0.261 nan 4.420 nan 0.000 0.216 256 P C 1.519 178.832 177.300 0.021 0.000 1.154 256 P CA 1.630 64.746 63.100 0.027 0.000 0.865 256 P CB 0.402 32.110 31.700 0.012 0.000 0.789 257 D N -0.649 119.766 120.400 0.025 0.000 2.123 257 D HA -0.228 4.411 4.640 -0.002 0.000 0.196 257 D C 1.607 177.900 176.300 -0.011 0.000 0.992 257 D CA 1.383 55.388 54.000 0.008 0.000 0.833 257 D CB -0.813 39.994 40.800 0.011 0.000 0.954 257 D HN 0.153 nan 8.370 nan 0.000 0.455 258 Q N 0.388 120.182 119.800 -0.009 0.000 2.123 258 Q HA -0.040 4.299 4.340 -0.002 0.000 0.199 258 Q C 2.383 178.342 176.000 -0.068 0.000 0.966 258 Q CA 0.592 56.360 55.803 -0.058 0.000 0.845 258 Q CB -0.433 28.245 28.738 -0.099 0.000 0.907 258 Q HN 0.462 nan 8.270 nan 0.000 0.439 259 R N 1.197 121.661 120.500 -0.059 0.000 2.070 259 R HA -0.150 4.189 4.340 -0.002 0.000 0.233 259 R C 2.214 178.478 176.300 -0.061 0.000 1.137 259 R CA 1.707 57.743 56.100 -0.107 0.000 0.945 259 R CB -0.052 30.211 30.300 -0.061 0.000 0.845 259 R HN 0.090 nan 8.270 nan 0.000 0.430 260 K N 0.510 120.896 120.400 -0.025 0.000 2.044 260 K HA -0.177 4.142 4.320 -0.002 0.000 0.210 260 K C 2.222 178.808 176.600 -0.023 0.000 1.049 260 K CA 1.730 58.010 56.287 -0.013 0.000 0.927 260 K CB -0.195 32.302 32.500 -0.006 0.000 0.713 260 K HN 0.201 nan 8.250 nan 0.000 0.443 261 L N 0.498 121.698 121.223 -0.037 0.000 1.989 261 L HA -0.228 4.111 4.340 -0.002 0.000 0.211 261 L C 2.549 179.393 176.870 -0.043 0.000 1.071 261 L CA 0.979 55.794 54.840 -0.042 0.000 0.749 261 L CB -0.506 41.519 42.059 -0.057 0.000 0.890 261 L HN 0.312 nan 8.230 nan 0.000 0.431 262 L N 0.004 121.191 121.223 -0.059 0.000 2.083 262 L HA -0.157 4.182 4.340 -0.002 0.000 0.209 262 L C 2.574 179.430 176.870 -0.024 0.000 1.083 262 L CA 1.907 56.715 54.840 -0.053 0.000 0.752 262 L CB -0.594 41.413 42.059 -0.088 0.000 0.899 262 L HN 0.158 nan 8.230 nan 0.000 0.433 263 A N -0.678 122.132 122.820 -0.017 0.000 1.877 263 A HA -0.226 4.093 4.320 -0.002 0.000 0.216 263 A C 2.181 179.771 177.584 0.010 0.000 1.186 263 A CA 1.863 53.908 52.037 0.014 0.000 0.620 263 A CB -0.629 18.386 19.000 0.026 0.000 0.822 263 A HN 0.600 nan 8.150 nan 0.000 0.443 264 E N -0.887 119.312 120.200 -0.000 0.000 2.106 264 E HA -0.122 4.227 4.350 -0.002 0.000 0.192 264 E C -0.085 176.513 176.600 -0.003 0.000 0.984 264 E CA 1.054 57.453 56.400 -0.002 0.000 0.806 264 E CB 0.078 29.774 29.700 -0.007 0.000 0.750 264 E HN 0.507 nan 8.360 nan 0.000 0.458 265 D N -0.910 119.485 120.400 -0.009 0.000 2.404 265 D HA 0.137 4.775 4.640 -0.002 0.000 0.267 265 D C -2.181 174.115 176.300 -0.007 0.000 1.194 265 D CA -2.444 51.551 54.000 -0.009 0.000 0.910 265 D CB 1.122 41.912 40.800 -0.016 0.000 1.090 265 D HN -0.260 nan 8.370 nan 0.000 0.511 266 P HA -0.198 nan 4.420 nan 0.000 0.217 266 P C 1.390 178.698 177.300 0.012 0.000 1.151 266 P CA 1.279 64.389 63.100 0.017 0.000 0.849 266 P CB 0.136 31.853 31.700 0.028 0.000 0.787 267 S N -1.066 114.637 115.700 0.006 0.000 2.500 267 S HA -0.104 4.365 4.470 -0.002 0.000 0.239 267 S C 1.674 176.269 174.600 -0.009 0.000 0.989 267 S CA 0.720 58.922 58.200 0.004 0.000 0.951 267 S CB -1.564 61.638 63.200 0.003 0.000 0.759 267 S HN 0.118 nan 8.310 nan 0.000 0.523 268 L N 0.345 121.554 121.223 -0.023 0.000 2.633 268 L HA 0.087 4.426 4.340 -0.002 0.000 0.235 268 L C 2.149 178.981 176.870 -0.063 0.000 1.163 268 L CA 0.171 54.981 54.840 -0.050 0.000 0.859 268 L CB -0.543 41.476 42.059 -0.067 0.000 0.973 268 L HN 0.340 nan 8.230 nan 0.000 0.451 269 I N -0.778 119.778 120.570 -0.025 0.000 2.315 269 I HA -0.249 3.920 4.170 -0.002 0.000 0.248 269 I C 2.431 178.535 176.117 -0.021 0.000 1.117 269 I CA 1.465 62.762 61.300 -0.005 0.000 1.404 269 I CB -0.011 38.020 38.000 0.051 0.000 1.071 269 I HN 0.088 nan 8.210 nan 0.000 0.419 270 S N -0.558 115.135 115.700 -0.011 0.000 2.355 270 S HA -0.185 4.283 4.470 -0.002 0.000 0.222 270 S C 2.137 176.711 174.600 -0.044 0.000 1.031 270 S CA 1.557 59.756 58.200 -0.002 0.000 0.993 270 S CB -0.528 62.684 63.200 0.020 0.000 0.859 270 S HN 0.605 nan 8.310 nan 0.000 0.453 271 S N 1.220 116.875 115.700 -0.074 0.000 2.402 271 S HA 0.023 4.492 4.470 -0.002 0.000 0.229 271 S C 1.978 176.432 174.600 -0.244 0.000 1.021 271 S CA 1.020 59.152 58.200 -0.113 0.000 0.974 271 S CB -0.365 62.777 63.200 -0.096 0.000 0.800 271 S HN 0.500 nan 8.310 nan 0.000 0.484 272 A N 0.713 123.338 122.820 -0.324 0.000 1.898 272 A HA 0.036 4.355 4.320 -0.002 0.000 0.216 272 A C 2.290 179.244 177.584 -1.049 0.000 1.181 272 A CA 1.602 53.217 52.037 -0.703 0.000 0.620 272 A CB -0.939 17.738 19.000 -0.539 0.000 0.819 272 A HN 0.439 nan 8.150 nan 0.000 0.442 273 V N 0.422 120.067 119.914 -0.449 0.000 2.515 273 V HA -0.182 3.937 4.120 -0.002 0.000 0.250 273 V C 2.495 178.471 176.094 -0.197 0.000 1.058 273 V CA 1.978 64.183 62.300 -0.159 0.000 1.064 273 V CB -0.647 31.216 31.823 0.066 0.000 0.675 273 V HN 0.511 nan 8.190 nan 0.000 0.461 274 E N 0.044 120.130 120.200 -0.190 0.000 2.110 274 E HA -0.242 4.106 4.350 -0.002 0.000 0.193 274 E C 2.192 178.659 176.600 -0.221 0.000 0.988 274 E CA 1.381 57.683 56.400 -0.162 0.000 0.804 274 E CB -0.148 29.563 29.700 0.018 0.000 0.745 274 E HN 0.672 nan 8.360 nan 0.000 0.458 275 E N 0.320 120.349 120.200 -0.286 0.000 2.152 275 E HA -0.088 4.261 4.350 -0.002 0.000 0.192 275 E C 1.861 178.391 176.600 -0.116 0.000 0.983 275 E CA 0.808 57.069 56.400 -0.232 0.000 0.818 275 E CB -0.363 29.134 29.700 -0.337 0.000 0.758 275 E HN 0.275 nan 8.360 nan 0.000 0.467 276 F N 0.127 120.027 119.950 -0.083 0.000 2.146 276 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 276 F C 2.133 177.893 175.800 -0.067 0.000 1.096 276 F CA 0.444 58.427 58.000 -0.028 0.000 1.275 276 F CB -0.261 38.720 39.000 -0.032 0.000 1.008 276 F HN 0.002 nan 8.300 nan 0.000 0.480 277 L N 0.060 121.206 121.223 -0.127 0.000 2.043 277 L HA -0.267 4.072 4.340 -0.002 0.000 0.212 277 L C 2.673 179.356 176.870 -0.311 0.000 1.075 277 L CA 1.473 55.992 54.840 -0.534 0.000 0.752 277 L CB -0.562 40.588 42.059 -1.515 0.000 0.891 277 L HN 0.125 nan 8.230 nan 0.000 0.432 278 R N -0.502 119.945 120.500 -0.088 0.000 2.062 278 R HA -0.164 4.175 4.340 -0.002 0.000 0.226 278 R C 2.419 178.889 176.300 0.283 0.000 1.125 278 R CA 1.279 57.567 56.100 0.313 0.000 0.966 278 R CB -0.312 30.249 30.300 0.434 0.000 0.861 278 R HN 0.223 nan 8.270 nan 0.000 0.433 279 F N 0.964 120.963 119.950 0.082 0.000 2.234 279 F HA -0.093 4.432 4.527 -0.002 0.000 0.299 279 F C 0.071 175.896 175.800 0.041 0.000 1.087 279 F CA 1.321 59.345 58.000 0.040 0.000 1.340 279 F CB 0.274 39.280 39.000 0.011 0.000 1.031 279 F HN -0.013 nan 8.300 nan 0.000 0.500 280 D N -0.015 120.464 120.400 0.132 0.000 2.934 280 D HA 0.135 4.773 4.640 -0.002 0.000 0.249 280 D C -1.013 175.391 176.300 0.173 0.000 1.293 280 D CA -0.090 53.991 54.000 0.134 0.000 0.812 280 D CB 0.489 41.386 40.800 0.161 0.000 1.439 280 D HN -0.140 nan 8.370 nan 0.000 0.555 281 S N 2.223 118.025 115.700 0.169 0.000 2.544 281 S HA 0.095 4.564 4.470 -0.002 0.000 0.290 281 S C -1.413 173.264 174.600 0.128 0.000 1.276 281 S CA -0.656 57.624 58.200 0.133 0.000 1.075 281 S CB 1.208 64.505 63.200 0.161 0.000 0.849 281 S HN 0.355 nan 8.310 nan 0.000 0.494 282 P HA -0.025 nan 4.420 nan 0.000 0.217 282 P C -0.044 177.340 177.300 0.140 0.000 1.150 282 P CA 0.618 63.795 63.100 0.128 0.000 0.832 282 P CB 0.120 31.888 31.700 0.112 0.000 0.787 283 V N 1.117 121.111 119.914 0.132 0.000 2.320 283 V HA 0.069 4.187 4.120 -0.002 0.000 0.265 283 V C 1.590 177.766 176.094 0.138 0.000 1.048 283 V CA 0.333 62.717 62.300 0.140 0.000 0.865 283 V CB 0.434 32.338 31.823 0.135 0.000 1.043 283 V HN 0.148 nan 8.190 nan 0.000 0.474 284 S N 3.720 119.515 115.700 0.159 0.000 2.362 284 S HA 0.003 4.472 4.470 -0.002 0.000 0.221 284 S C 0.669 175.340 174.600 0.118 0.000 1.032 284 S CA 0.155 58.448 58.200 0.154 0.000 0.973 284 S CB 0.036 63.379 63.200 0.237 0.000 0.849 284 S HN 0.758 nan 8.310 nan 0.000 0.465 285 Q N 1.089 120.985 119.800 0.161 0.000 2.356 285 Q HA 0.767 5.106 4.340 -0.002 0.000 0.270 285 Q C -0.814 175.236 176.000 0.083 0.000 1.058 285 Q CA -0.918 54.946 55.803 0.102 0.000 0.802 285 Q CB 1.486 30.289 28.738 0.108 0.000 1.303 285 Q HN 0.255 nan 8.270 nan 0.000 0.444 286 A N 4.002 126.854 122.820 0.054 0.000 2.555 286 A HA 0.374 4.693 4.320 -0.002 0.000 0.233 286 A C -1.832 175.753 177.584 0.001 0.000 1.060 286 A CA -0.540 51.534 52.037 0.061 0.000 0.759 286 A CB -0.847 18.200 19.000 0.079 0.000 0.995 286 A HN 0.632 nan 8.150 nan 0.000 0.506 287 P HA 0.054 nan 4.420 nan 0.000 0.267 287 P C -0.101 177.133 177.300 -0.109 0.000 1.201 287 P CA 0.187 63.264 63.100 -0.037 0.000 0.775 287 P CB 0.250 31.933 31.700 -0.028 0.000 0.854 288 I N 1.837 122.315 120.570 -0.153 0.000 2.775 288 I HA -0.078 4.090 4.170 -0.002 0.000 0.290 288 I C 1.594 177.458 176.117 -0.422 0.000 1.203 288 I CA 0.793 61.910 61.300 -0.304 0.000 1.433 288 I CB 0.069 37.851 38.000 -0.363 0.000 1.354 288 I HN 0.255 nan 8.210 nan 0.000 0.579 289 R N 4.880 125.110 120.500 -0.450 0.000 2.782 289 R HA 0.672 5.011 4.340 -0.002 0.000 0.258 289 R C -1.443 174.509 176.300 -0.581 0.000 1.055 289 R CA -0.650 55.224 56.100 -0.377 0.000 1.065 289 R CB 1.411 31.585 30.300 -0.211 0.000 1.172 289 R HN 0.307 nan 8.270 nan 0.000 0.510 290 F N -0.450 119.509 119.950 0.015 0.000 2.529 290 F HA 0.239 4.765 4.527 -0.003 0.000 0.320 290 F C 0.246 176.014 175.800 -0.054 0.000 1.118 290 F CA -1.024 56.996 58.000 0.034 0.000 0.915 290 F CB 2.118 41.203 39.000 0.143 0.000 1.161 290 F HN 0.397 nan 8.300 nan 0.000 0.445 291 T N -0.280 114.313 114.554 0.066 0.000 2.751 291 T HA 0.395 4.744 4.350 -0.002 0.000 0.290 291 T C 0.948 175.568 174.700 -0.132 0.000 0.919 291 T CA -0.238 61.829 62.100 -0.054 0.000 1.136 291 T CB 1.303 70.116 68.868 -0.092 0.000 0.875 291 T HN 0.776 nan 8.240 nan 0.000 0.532 292 A N 3.359 125.986 122.820 -0.322 0.000 1.968 292 A HA 0.127 4.445 4.320 -0.002 0.000 0.217 292 A C 1.084 178.554 177.584 -0.189 0.000 1.169 292 A CA 0.696 52.402 52.037 -0.550 0.000 0.638 292 A CB -0.272 18.372 19.000 -0.594 0.000 0.812 292 A HN 0.974 nan 8.150 nan 0.000 0.446 293 E N -1.044 119.083 120.200 -0.123 0.000 2.459 293 E HA 0.402 4.751 4.350 -0.002 0.000 0.275 293 E C -1.784 174.773 176.600 -0.072 0.000 0.987 293 E CA -1.155 55.204 56.400 -0.069 0.000 0.828 293 E CB 0.164 29.833 29.700 -0.051 0.000 1.428 293 E HN -0.033 nan 8.360 nan 0.000 0.457 294 D N 0.772 121.134 120.400 -0.063 0.000 2.488 294 D HA 0.248 4.887 4.640 -0.002 0.000 0.238 294 D C -0.283 175.969 176.300 -0.079 0.000 1.138 294 D CA 0.346 54.298 54.000 -0.080 0.000 0.873 294 D CB 1.043 41.804 40.800 -0.065 0.000 1.183 294 D HN 0.438 nan 8.370 nan 0.000 0.458 295 V N -0.578 119.282 119.914 -0.091 0.000 2.876 295 V HA 0.775 4.894 4.120 -0.002 0.000 0.312 295 V C -0.285 175.765 176.094 -0.073 0.000 1.085 295 V CA -0.710 61.557 62.300 -0.056 0.000 0.945 295 V CB 2.355 34.220 31.823 0.070 0.000 1.017 295 V HN 0.417 nan 8.190 nan 0.000 0.428 296 T N 3.953 118.414 114.554 -0.155 0.000 2.824 296 T HA 0.751 5.100 4.350 -0.002 0.000 0.282 296 T C -1.462 173.046 174.700 -0.321 0.000 0.993 296 T CA -0.065 61.944 62.100 -0.151 0.000 0.967 296 T CB 0.972 69.761 68.868 -0.131 0.000 0.960 296 T HN 0.706 nan 8.240 nan 0.000 0.441 297 Y N 0.555 120.807 120.300 -0.080 0.000 2.433 297 Y HA 0.355 4.904 4.550 -0.002 0.000 0.337 297 Y C 0.777 176.662 175.900 -0.025 0.000 1.026 297 Y CA -0.933 57.135 58.100 -0.054 0.000 1.037 297 Y CB 1.978 40.396 38.460 -0.069 0.000 1.245 297 Y HN 0.779 nan 8.280 nan 0.000 0.443 298 S N 2.194 117.960 115.700 0.110 0.000 3.559 298 S HA -0.195 4.273 4.470 -0.002 0.000 0.369 298 S C 1.179 175.815 174.600 0.060 0.000 0.987 298 S CA 1.171 59.420 58.200 0.082 0.000 1.187 298 S CB -1.509 61.752 63.200 0.103 0.000 0.914 298 S HN 1.774 nan 8.310 nan 0.000 0.480 299 G N -1.604 107.213 108.800 0.028 0.000 2.179 299 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.257 299 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.257 299 G C 0.015 174.934 174.900 0.032 0.000 1.010 299 G CA 0.187 45.299 45.100 0.020 0.000 0.736 299 G HN 1.237 nan 8.290 nan 0.000 0.513 300 V N 0.518 120.457 119.914 0.041 0.000 2.487 300 V HA 0.584 4.702 4.120 -0.002 0.000 0.298 300 V C 0.385 176.463 176.094 -0.027 0.000 1.028 300 V CA -0.332 61.996 62.300 0.046 0.000 0.860 300 V CB 2.022 33.915 31.823 0.116 0.000 0.991 300 V HN 0.250 nan 8.190 nan 0.000 0.427 301 T N 6.751 121.271 114.554 -0.056 0.000 2.728 301 T HA 0.556 4.905 4.350 -0.002 0.000 0.296 301 T C -0.062 174.469 174.700 -0.281 0.000 0.940 301 T CA 0.056 62.081 62.100 -0.124 0.000 1.013 301 T CB 0.242 69.065 68.868 -0.074 0.000 0.912 301 T HN 0.376 nan 8.240 nan 0.000 0.484 302 I N 6.866 127.172 120.570 -0.440 0.000 2.304 302 I HA 0.287 4.456 4.170 -0.002 0.000 0.291 302 I C -2.062 173.825 176.117 -0.384 0.000 1.018 302 I CA -2.506 58.325 61.300 -0.780 0.000 1.260 302 I CB 1.210 38.563 38.000 -1.077 0.000 1.390 302 I HN 0.330 nan 8.210 nan 0.000 0.475 303 P HA 0.093 nan 4.420 nan 0.000 0.272 303 P C -0.371 176.877 177.300 -0.087 0.000 1.240 303 P CA -0.396 62.643 63.100 -0.102 0.000 0.791 303 P CB 0.521 32.215 31.700 -0.010 0.000 0.978 304 A N 1.380 124.174 122.820 -0.044 0.000 2.555 304 A HA 0.385 4.704 4.320 -0.002 0.000 0.233 304 A C 1.430 179.035 177.584 0.035 0.000 1.060 304 A CA 0.834 52.862 52.037 -0.015 0.000 0.759 304 A CB -1.566 17.433 19.000 -0.002 0.000 0.995 304 A HN 0.910 nan 8.150 nan 0.000 0.506 305 G N 0.507 109.353 108.800 0.077 0.000 2.136 305 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.242 305 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.242 305 G C -0.090 174.916 174.900 0.176 0.000 0.989 305 G CA 0.408 45.589 45.100 0.136 0.000 0.682 305 G HN 0.829 nan 8.290 nan 0.000 0.522 306 E N -0.291 119.998 120.200 0.149 0.000 2.212 306 E HA 0.614 4.963 4.350 -0.002 0.000 0.270 306 E C 0.539 177.235 176.600 0.160 0.000 0.956 306 E CA -0.692 55.817 56.400 0.182 0.000 0.825 306 E CB 1.078 30.863 29.700 0.141 0.000 1.167 306 E HN 0.366 nan 8.360 nan 0.000 0.400 307 M N 1.393 121.089 119.600 0.159 0.000 2.264 307 M HA 0.353 4.832 4.480 -0.002 0.000 0.352 307 M C -0.606 175.684 176.300 -0.016 0.000 1.173 307 M CA -0.772 54.492 55.300 -0.060 0.000 1.075 307 M CB 1.337 33.902 32.600 -0.059 0.000 1.621 307 M HN 0.054 nan 8.290 nan 0.000 0.457 308 V N 4.276 124.084 119.914 -0.177 0.000 2.569 308 V HA 0.434 4.552 4.120 -0.002 0.000 0.301 308 V C -0.373 175.610 176.094 -0.186 0.000 1.044 308 V CA -0.637 61.591 62.300 -0.119 0.000 0.874 308 V CB 1.859 33.581 31.823 -0.167 0.000 1.002 308 V HN 0.901 nan 8.190 nan 0.000 0.424 309 M N 5.252 124.772 119.600 -0.133 0.000 2.188 309 M HA 0.529 5.007 4.480 -0.002 0.000 0.357 309 M C -0.782 175.413 176.300 -0.174 0.000 1.204 309 M CA -0.318 54.897 55.300 -0.141 0.000 1.095 309 M CB 1.270 33.816 32.600 -0.089 0.000 1.604 309 M HN 0.450 nan 8.290 nan 0.000 0.464 310 L N 2.605 123.683 121.223 -0.241 0.000 2.265 310 L HA 0.424 4.762 4.340 -0.002 0.000 0.288 310 L C 0.841 177.608 176.870 -0.171 0.000 1.058 310 L CA -0.634 54.022 54.840 -0.306 0.000 0.809 310 L CB 0.778 42.464 42.059 -0.622 0.000 1.179 310 L HN 0.811 nan 8.230 nan 0.000 0.429 311 G N 4.138 112.847 108.800 -0.152 0.000 2.621 311 G HA2 0.381 4.339 3.960 -0.002 0.000 0.306 311 G HA3 0.381 4.339 3.960 -0.002 0.000 0.306 311 G C 0.781 175.571 174.900 -0.184 0.000 0.893 311 G CA -0.404 44.600 45.100 -0.161 0.000 1.486 311 G HN 0.668 nan 8.290 nan 0.000 0.477 312 L N 2.134 123.292 121.223 -0.109 0.000 2.162 312 L HA 0.026 4.365 4.340 -0.002 0.000 0.205 312 L C 3.063 179.906 176.870 -0.046 0.000 1.086 312 L CA 1.014 55.833 54.840 -0.034 0.000 0.778 312 L CB -0.293 41.806 42.059 0.068 0.000 0.928 312 L HN 0.501 nan 8.230 nan 0.000 0.446 313 A N 0.599 123.347 122.820 -0.121 0.000 1.902 313 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 313 A C 2.544 180.025 177.584 -0.172 0.000 1.181 313 A CA 1.853 53.835 52.037 -0.092 0.000 0.623 313 A CB -0.625 18.321 19.000 -0.089 0.000 0.818 313 A HN 0.378 nan 8.150 nan 0.000 0.443 314 A N -0.226 122.272 122.820 -0.537 0.000 1.872 314 A HA 0.236 4.555 4.320 -0.002 0.000 0.214 314 A C 2.521 180.078 177.584 -0.045 0.000 1.187 314 A CA 1.902 53.731 52.037 -0.347 0.000 0.614 314 A CB -1.069 17.619 19.000 -0.520 0.000 0.826 314 A HN 1.056 nan 8.150 nan 0.000 0.442 315 A N 0.401 123.194 122.820 -0.045 0.000 1.940 315 A HA -0.209 4.110 4.320 -0.002 0.000 0.219 315 A C 1.826 179.532 177.584 0.202 0.000 1.176 315 A CA 1.795 53.878 52.037 0.078 0.000 0.631 315 A CB -0.647 18.342 19.000 -0.018 0.000 0.814 315 A HN 0.541 nan 8.150 nan 0.000 0.446 316 N N -0.365 118.439 118.700 0.174 0.000 2.459 316 N HA -0.054 4.685 4.740 -0.002 0.000 0.181 316 N C 0.981 176.759 175.510 0.448 0.000 1.046 316 N CA 0.624 53.883 53.050 0.348 0.000 0.904 316 N CB -0.178 38.517 38.487 0.345 0.000 0.964 316 N HN 0.491 nan 8.380 nan 0.000 0.444 317 R N 0.612 121.276 120.500 0.274 0.000 2.586 317 R HA 0.104 4.443 4.340 -0.002 0.000 0.306 317 R C -0.478 175.938 176.300 0.193 0.000 1.079 317 R CA -0.239 55.986 56.100 0.209 0.000 1.083 317 R CB 0.203 30.582 30.300 0.131 0.000 1.306 317 R HN 0.013 nan 8.270 nan 0.000 0.567 318 D N 0.520 121.078 120.400 0.264 0.000 2.325 318 D HA 0.124 4.762 4.640 -0.002 0.000 0.251 318 D C 0.916 177.316 176.300 0.166 0.000 1.196 318 D CA -0.104 54.024 54.000 0.213 0.000 0.866 318 D CB 1.497 42.450 40.800 0.256 0.000 1.101 318 D HN 0.188 nan 8.370 nan 0.000 0.476 319 A N 4.124 127.002 122.820 0.097 0.000 2.070 319 A HA -0.172 4.147 4.320 -0.002 0.000 0.220 319 A C 1.529 179.128 177.584 0.026 0.000 1.159 319 A CA 1.050 53.110 52.037 0.038 0.000 0.656 319 A CB -0.014 19.005 19.000 0.031 0.000 0.800 319 A HN 0.528 nan 8.150 nan 0.000 0.453 320 D N -2.181 118.261 120.400 0.069 0.000 2.312 320 D HA -0.085 4.553 4.640 -0.002 0.000 0.211 320 D C 1.353 177.696 176.300 0.071 0.000 0.964 320 D CA 0.826 54.867 54.000 0.068 0.000 0.877 320 D CB -0.148 40.711 40.800 0.098 0.000 0.924 320 D HN 0.844 nan 8.370 nan 0.000 0.515 321 W N 0.218 121.400 121.300 -0.197 0.000 2.780 321 W HA 0.258 4.916 4.660 -0.002 0.000 0.272 321 W C 0.079 176.453 176.519 -0.241 0.000 1.116 321 W CA -0.076 57.042 57.345 -0.379 0.000 1.600 321 W CB 0.183 29.056 29.460 -0.978 0.000 1.086 321 W HN -0.281 nan 8.180 nan 0.000 0.584 322 M N 2.683 121.986 119.600 -0.495 0.000 2.149 322 M HA 0.443 4.921 4.480 -0.002 0.000 0.342 322 M C -2.658 173.477 176.300 -0.274 0.000 1.068 322 M CA -2.933 51.987 55.300 -0.635 0.000 0.991 322 M CB 1.346 33.524 32.600 -0.703 0.000 1.596 322 M HN -0.289 nan 8.290 nan 0.000 0.439 323 P HA 0.092 nan 4.420 nan 0.000 0.268 323 P C -1.041 176.198 177.300 -0.101 0.000 1.204 323 P CA 0.393 63.413 63.100 -0.133 0.000 0.768 323 P CB 0.184 31.808 31.700 -0.125 0.000 0.842 324 E N 2.339 122.507 120.200 -0.053 0.000 2.240 324 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 324 E C -1.438 175.154 176.600 -0.013 0.000 1.385 324 E CA -0.160 56.225 56.400 -0.025 0.000 0.686 324 E CB -0.685 28.999 29.700 -0.027 0.000 1.125 324 E HN 0.511 nan 8.360 nan 0.000 0.359 325 P HA -0.099 nan 4.420 nan 0.000 0.225 325 P C 0.485 177.841 177.300 0.093 0.000 1.156 325 P CA 0.814 63.933 63.100 0.032 0.000 0.787 325 P CB 0.342 32.074 31.700 0.053 0.000 0.802 326 D N -0.472 119.979 120.400 0.085 0.000 2.349 326 D HA 0.001 4.639 4.640 -0.002 0.000 0.224 326 D C 0.972 177.423 176.300 0.253 0.000 1.029 326 D CA 0.417 54.491 54.000 0.122 0.000 0.879 326 D CB -0.167 40.674 40.800 0.069 0.000 0.906 326 D HN 0.220 nan 8.370 nan 0.000 0.528 327 R N 1.098 121.696 120.500 0.163 0.000 2.312 327 R HA 0.288 4.627 4.340 -0.002 0.000 0.311 327 R C -0.576 175.697 176.300 -0.044 0.000 1.004 327 R CA -0.561 55.586 56.100 0.078 0.000 0.902 327 R CB 0.845 31.153 30.300 0.013 0.000 1.073 327 R HN -0.028 nan 8.270 nan 0.000 0.457 328 L N 4.414 125.428 121.223 -0.350 0.000 2.313 328 L HA 0.246 4.585 4.340 -0.002 0.000 0.282 328 L C -1.043 175.597 176.870 -0.384 0.000 1.092 328 L CA 0.315 54.736 54.840 -0.699 0.000 0.831 328 L CB 0.999 42.197 42.059 -1.434 0.000 1.159 328 L HN 0.775 nan 8.230 nan 0.000 0.442 329 D N 5.119 125.342 120.400 -0.294 0.000 2.336 329 D HA 0.132 4.771 4.640 -0.002 0.000 0.248 329 D C 0.930 177.092 176.300 -0.230 0.000 1.326 329 D CA -0.466 53.405 54.000 -0.215 0.000 0.973 329 D CB 0.862 41.571 40.800 -0.151 0.000 1.255 329 D HN 0.565 nan 8.370 nan 0.000 0.558 330 I N 0.872 121.288 120.570 -0.257 0.000 3.083 330 I HA -0.030 4.139 4.170 -0.002 0.000 0.273 330 I C 1.324 177.317 176.117 -0.207 0.000 1.297 330 I CA 1.047 62.169 61.300 -0.296 0.000 1.452 330 I CB -0.322 37.480 38.000 -0.330 0.000 1.078 330 I HN 0.224 nan 8.210 nan 0.000 0.484 331 T N -1.941 112.520 114.554 -0.155 0.000 3.100 331 T HA 0.202 4.551 4.350 -0.002 0.000 0.253 331 T C 1.034 175.673 174.700 -0.101 0.000 1.118 331 T CA -0.327 61.705 62.100 -0.113 0.000 1.058 331 T CB -0.261 68.553 68.868 -0.089 0.000 0.953 331 T HN 0.341 nan 8.240 nan 0.000 0.515 332 R N 2.075 122.505 120.500 -0.117 0.000 2.640 332 R HA 0.082 4.421 4.340 -0.002 0.000 0.270 332 R C -0.452 175.800 176.300 -0.079 0.000 1.024 332 R CA 0.095 56.132 56.100 -0.106 0.000 1.085 332 R CB 0.197 30.421 30.300 -0.127 0.000 0.963 332 R HN 0.309 nan 8.270 nan 0.000 0.426 333 D N 2.214 122.574 120.400 -0.067 0.000 2.631 333 D HA 0.151 4.790 4.640 -0.002 0.000 0.227 333 D C -0.379 175.905 176.300 -0.028 0.000 1.146 333 D CA 0.051 54.029 54.000 -0.037 0.000 1.009 333 D CB 0.590 41.371 40.800 -0.032 0.000 1.057 333 D HN 0.490 nan 8.370 nan 0.000 0.509 334 A N 0.980 123.797 122.820 -0.005 0.000 2.351 334 A HA 0.521 4.839 4.320 -0.002 0.000 0.257 334 A C 0.261 177.926 177.584 0.134 0.000 1.087 334 A CA -0.147 51.909 52.037 0.032 0.000 0.798 334 A CB 0.924 19.974 19.000 0.082 0.000 1.033 334 A HN 0.281 nan 8.150 nan 0.000 0.488 335 S N -0.948 114.873 115.700 0.202 0.000 2.548 335 S HA 0.633 5.102 4.470 -0.002 0.000 0.276 335 S C 0.358 175.211 174.600 0.422 0.000 1.129 335 S CA 0.287 58.639 58.200 0.253 0.000 0.931 335 S CB 1.702 64.999 63.200 0.162 0.000 1.068 335 S HN 2.381 nan 8.310 nan 0.000 0.480 336 G N 1.826 110.795 108.800 0.282 0.000 2.132 336 G HA2 -0.130 3.828 3.960 -0.002 0.000 0.228 336 G HA3 -0.130 3.828 3.960 -0.002 0.000 0.228 336 G C 0.417 175.282 174.900 -0.058 0.000 1.000 336 G CA -0.247 44.945 45.100 0.154 0.000 0.693 336 G HN 1.125 nan 8.290 nan 0.000 0.515 337 G N -0.819 107.952 108.800 -0.048 0.000 2.484 337 G HA2 0.515 4.474 3.960 -0.002 0.000 0.235 337 G HA3 0.515 4.474 3.960 -0.002 0.000 0.235 337 G C 1.191 175.615 174.900 -0.793 0.000 1.282 337 G CA 0.588 45.380 45.100 -0.514 0.000 0.857 337 G HN 1.557 nan 8.290 nan 0.000 0.571 338 V N 0.621 120.155 119.914 -0.635 0.000 3.444 338 V HA 0.222 4.341 4.120 -0.002 0.000 0.308 338 V C 1.617 177.526 176.094 -0.309 0.000 1.371 338 V CA 0.351 62.393 62.300 -0.429 0.000 1.141 338 V CB -1.322 30.357 31.823 -0.240 0.000 1.037 338 V HN 0.648 nan 8.190 nan 0.000 0.433 339 F N -0.639 119.257 119.950 -0.090 0.000 2.293 339 F HA 0.241 4.767 4.527 -0.002 0.000 0.300 339 F C 1.625 177.278 175.800 -0.244 0.000 1.086 339 F CA 0.709 58.602 58.000 -0.178 0.000 1.375 339 F CB -1.194 37.639 39.000 -0.277 0.000 1.045 339 F HN 0.190 nan 8.300 nan 0.000 0.516 340 F N 0.935 120.864 119.950 -0.036 0.000 2.660 340 F HA 0.498 5.023 4.527 -0.003 0.000 0.302 340 F C 1.575 177.099 175.800 -0.461 0.000 1.103 340 F CA 0.031 57.877 58.000 -0.255 0.000 1.340 340 F CB -0.110 38.600 39.000 -0.482 0.000 1.048 340 F HN 0.300 nan 8.300 nan 0.000 0.551 341 G N 0.736 109.405 108.800 -0.219 0.000 2.593 341 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.237 341 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.237 341 G C -1.294 173.317 174.900 -0.483 0.000 1.312 341 G CA -0.294 44.398 45.100 -0.679 0.000 0.896 341 G HN 0.551 nan 8.290 nan 0.000 0.574 342 H N -1.031 117.542 119.070 -0.829 0.000 3.139 342 H HA 0.655 5.210 4.556 -0.002 0.000 0.325 342 H C 0.524 175.733 175.328 -0.199 0.000 1.146 342 H CA 1.944 57.757 56.048 -0.392 0.000 1.351 342 H CB 0.912 30.410 29.762 -0.440 0.000 2.005 342 H HN 2.662 nan 8.280 nan 0.000 0.517 343 G N 2.579 111.047 108.800 -0.555 0.000 2.484 343 G HA2 -0.255 3.703 3.960 -0.002 0.000 0.225 343 G HA3 -0.255 3.703 3.960 -0.002 0.000 0.225 343 G C 1.303 176.118 174.900 -0.142 0.000 1.250 343 G CA 0.398 45.280 45.100 -0.363 0.000 0.926 343 G HN 1.295 nan 8.290 nan 0.000 0.581 344 I N -2.479 118.013 120.570 -0.130 0.000 2.493 344 I HA 0.079 4.248 4.170 -0.002 0.000 0.254 344 I C 1.729 177.724 176.117 -0.203 0.000 1.160 344 I CA 2.071 63.267 61.300 -0.172 0.000 1.445 344 I CB -0.267 37.551 38.000 -0.304 0.000 1.086 344 I HN 0.458 nan 8.210 nan 0.000 0.433 345 H N 0.679 119.717 119.070 -0.053 0.000 2.517 345 H HA 0.221 4.776 4.556 -0.002 0.000 0.282 345 H C 0.024 175.372 175.328 0.032 0.000 1.023 345 H CA -0.562 55.481 56.048 -0.008 0.000 1.169 345 H CB -0.211 29.529 29.762 -0.036 0.000 1.454 345 H HN 0.362 nan 8.280 nan 0.000 0.556 346 F N 1.853 121.788 119.950 -0.025 0.000 2.623 346 F HA -0.076 4.450 4.527 -0.002 0.000 0.383 346 F C 0.897 176.682 175.800 -0.026 0.000 1.077 346 F CA -0.423 57.537 58.000 -0.066 0.000 1.268 346 F CB 0.405 39.352 39.000 -0.088 0.000 1.053 346 F HN 0.120 nan 8.300 nan 0.000 0.571 347 C N 8.999 127.855 119.300 -0.740 0.000 1.849 347 C HA -0.132 4.326 4.460 -0.002 0.000 0.424 347 C C 1.774 176.503 174.990 -0.435 0.000 1.528 347 C CA 0.028 58.708 59.018 -0.563 0.000 1.490 347 C CB -1.993 25.373 27.740 -0.623 0.000 2.760 347 C HN 1.018 nan 8.230 nan 0.000 0.603 348 L N 6.124 127.197 121.223 -0.251 0.000 2.131 348 L HA 0.155 4.493 4.340 -0.002 0.000 0.210 348 L C 2.159 178.845 176.870 -0.307 0.000 1.092 348 L CA 2.444 57.147 54.840 -0.228 0.000 0.759 348 L CB -0.503 41.383 42.059 -0.288 0.000 0.903 348 L HN 0.839 nan 8.230 nan 0.000 0.435 349 G N -1.962 106.620 108.800 -0.364 0.000 3.314 349 G HA2 0.234 4.192 3.960 -0.002 0.000 0.238 349 G HA3 0.234 4.192 3.960 -0.002 0.000 0.238 349 G C 1.442 176.146 174.900 -0.328 0.000 1.184 349 G CA 0.401 45.336 45.100 -0.276 0.000 0.806 349 G HN 0.550 nan 8.290 nan 0.000 0.536 350 A N 0.342 122.819 122.820 -0.572 0.000 1.903 350 A HA -0.190 4.129 4.320 -0.002 0.000 0.219 350 A C 2.309 179.618 177.584 -0.459 0.000 1.191 350 A CA 1.728 53.131 52.037 -1.056 0.000 0.638 350 A CB -0.243 18.170 19.000 -0.978 0.000 0.823 350 A HN 0.363 nan 8.150 nan 0.000 0.451 351 Q N -1.349 118.357 119.800 -0.156 0.000 2.083 351 Q HA -0.083 4.256 4.340 -0.002 0.000 0.198 351 Q C 2.155 178.169 176.000 0.022 0.000 0.969 351 Q CA 1.236 57.033 55.803 -0.010 0.000 0.838 351 Q CB -0.464 28.297 28.738 0.039 0.000 0.900 351 Q HN 0.570 nan 8.270 nan 0.000 0.436 352 L N 1.035 122.278 121.223 0.033 0.000 1.990 352 L HA -0.203 4.136 4.340 -0.002 0.000 0.213 352 L C 2.206 179.107 176.870 0.051 0.000 1.072 352 L CA 2.495 57.371 54.840 0.060 0.000 0.755 352 L CB -1.186 40.940 42.059 0.111 0.000 0.889 352 L HN 0.160 nan 8.230 nan 0.000 0.432 353 A N -0.668 122.174 122.820 0.036 0.000 1.917 353 A HA -0.288 4.031 4.320 -0.002 0.000 0.219 353 A C 2.440 180.125 177.584 0.168 0.000 1.182 353 A CA 2.220 54.326 52.037 0.114 0.000 0.633 353 A CB -0.617 18.500 19.000 0.195 0.000 0.819 353 A HN 0.548 nan 8.150 nan 0.000 0.448 354 R N -0.909 119.697 120.500 0.176 0.000 2.075 354 R HA 0.005 4.343 4.340 -0.002 0.000 0.232 354 R C 2.136 178.512 176.300 0.127 0.000 1.126 354 R CA 1.387 57.601 56.100 0.189 0.000 0.963 354 R CB -0.432 29.985 30.300 0.196 0.000 0.858 354 R HN 0.526 nan 8.270 nan 0.000 0.435 355 L N 0.559 121.839 121.223 0.095 0.000 2.005 355 L HA -0.174 4.164 4.340 -0.002 0.000 0.207 355 L C 2.272 179.181 176.870 0.065 0.000 1.072 355 L CA 1.473 56.356 54.840 0.072 0.000 0.744 355 L CB -0.388 41.704 42.059 0.055 0.000 0.895 355 L HN 0.219 nan 8.230 nan 0.000 0.433 356 E N -0.108 120.126 120.200 0.055 0.000 2.070 356 E HA -0.231 4.118 4.350 -0.002 0.000 0.197 356 E C 2.131 178.762 176.600 0.052 0.000 1.004 356 E CA 1.265 57.685 56.400 0.034 0.000 0.805 356 E CB -0.388 29.323 29.700 0.019 0.000 0.744 356 E HN 0.599 nan 8.360 nan 0.000 0.451 357 G N 0.796 109.651 108.800 0.091 0.000 2.402 357 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.216 357 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.216 357 G C 1.553 176.540 174.900 0.145 0.000 1.162 357 G CA 0.511 45.685 45.100 0.123 0.000 0.777 357 G HN 0.077 nan 8.290 nan 0.000 0.539 358 R N -0.304 120.273 120.500 0.128 0.000 2.073 358 R HA -0.019 4.319 4.340 -0.002 0.000 0.234 358 R C 2.727 179.100 176.300 0.121 0.000 1.134 358 R CA 1.303 57.477 56.100 0.124 0.000 0.952 358 R CB -0.573 29.784 30.300 0.094 0.000 0.850 358 R HN 0.275 nan 8.270 nan 0.000 0.433 359 V N 0.886 120.858 119.914 0.097 0.000 2.261 359 V HA -0.260 3.859 4.120 -0.002 0.000 0.246 359 V C 2.408 178.576 176.094 0.123 0.000 1.047 359 V CA 2.029 64.383 62.300 0.091 0.000 1.015 359 V CB -0.854 31.002 31.823 0.056 0.000 0.642 359 V HN 0.451 nan 8.190 nan 0.000 0.446 360 A N 0.018 122.898 122.820 0.100 0.000 1.865 360 A HA -0.203 4.115 4.320 -0.002 0.000 0.217 360 A C 2.185 179.960 177.584 0.319 0.000 1.191 360 A CA 2.296 54.415 52.037 0.136 0.000 0.623 360 A CB -0.587 18.399 19.000 -0.023 0.000 0.826 360 A HN 0.516 nan 8.150 nan 0.000 0.444 361 I N -0.745 119.986 120.570 0.268 0.000 2.233 361 I HA -0.100 4.069 4.170 -0.002 0.000 0.243 361 I C 2.750 179.081 176.117 0.356 0.000 1.093 361 I CA 0.949 62.451 61.300 0.336 0.000 1.380 361 I CB -0.754 37.415 38.000 0.283 0.000 1.067 361 I HN 0.391 nan 8.210 nan 0.000 0.413 362 G N 0.981 109.932 108.800 0.251 0.000 2.459 362 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.217 362 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.217 362 G C 1.816 176.834 174.900 0.197 0.000 1.183 362 G CA 0.405 45.628 45.100 0.205 0.000 0.776 362 G HN 0.167 nan 8.290 nan 0.000 0.552 363 R N -0.309 120.298 120.500 0.177 0.000 2.081 363 R HA -0.020 4.318 4.340 -0.002 0.000 0.235 363 R C 2.513 178.879 176.300 0.111 0.000 1.131 363 R CA 1.089 57.274 56.100 0.142 0.000 0.960 363 R CB -0.963 29.425 30.300 0.147 0.000 0.856 363 R HN 0.425 nan 8.270 nan 0.000 0.436 364 L N 0.351 121.647 121.223 0.122 0.000 1.971 364 L HA -0.158 4.181 4.340 -0.002 0.000 0.215 364 L C 2.019 178.809 176.870 -0.134 0.000 1.072 364 L CA 1.847 56.626 54.840 -0.101 0.000 0.758 364 L CB -0.760 41.184 42.059 -0.191 0.000 0.889 364 L HN -0.021 nan 8.230 nan 0.000 0.433 365 F N -0.321 119.627 119.950 -0.003 0.000 2.259 365 F HA -0.039 4.487 4.527 -0.002 0.000 0.298 365 F C 2.445 178.246 175.800 0.000 0.000 1.088 365 F CA 1.121 59.119 58.000 -0.003 0.000 1.358 365 F CB -0.906 38.106 39.000 0.020 0.000 1.040 365 F HN 0.222 nan 8.300 nan 0.000 0.505 366 A N -0.295 122.627 122.820 0.169 0.000 1.902 366 A HA -0.251 4.068 4.320 -0.002 0.000 0.217 366 A C 1.833 179.442 177.584 0.042 0.000 1.181 366 A CA 2.172 54.266 52.037 0.096 0.000 0.623 366 A CB -0.973 18.078 19.000 0.085 0.000 0.818 366 A HN 0.358 nan 8.150 nan 0.000 0.443 367 D N -1.235 119.171 120.400 0.011 0.000 2.183 367 D HA -0.054 4.585 4.640 -0.002 0.000 0.203 367 D C 0.718 176.986 176.300 -0.053 0.000 0.969 367 D CA 0.741 54.727 54.000 -0.023 0.000 0.842 367 D CB 0.157 40.933 40.800 -0.039 0.000 0.957 367 D HN 0.137 nan 8.370 nan 0.000 0.484 368 R N 0.180 120.627 120.500 -0.088 0.000 2.748 368 R HA 0.200 4.539 4.340 -0.002 0.000 0.283 368 R C -2.073 174.170 176.300 -0.095 0.000 1.507 368 R CA -1.356 54.670 56.100 -0.123 0.000 1.666 368 R CB 0.865 31.035 30.300 -0.216 0.000 1.237 368 R HN 0.230 nan 8.270 nan 0.000 0.633 369 P HA -0.103 nan 4.420 nan 0.000 0.225 369 P C 0.243 177.561 177.300 0.030 0.000 1.148 369 P CA 1.055 64.180 63.100 0.042 0.000 0.779 369 P CB 0.497 32.222 31.700 0.041 0.000 0.780 370 E N -0.851 119.339 120.200 -0.017 0.000 2.465 370 E HA 0.100 4.449 4.350 -0.002 0.000 0.195 370 E C 0.375 176.946 176.600 -0.049 0.000 1.028 370 E CA -0.739 55.651 56.400 -0.017 0.000 0.899 370 E CB -0.141 29.548 29.700 -0.019 0.000 1.032 370 E HN 0.065 nan 8.360 nan 0.000 0.468 371 L N 1.818 122.976 121.223 -0.108 0.000 2.653 371 L HA -0.045 4.294 4.340 -0.002 0.000 0.288 371 L C -0.411 176.413 176.870 -0.078 0.000 1.243 371 L CA 0.637 55.379 54.840 -0.164 0.000 0.906 371 L CB 0.247 42.077 42.059 -0.381 0.000 1.154 371 L HN 0.025 nan 8.230 nan 0.000 0.498 372 A N 5.380 128.160 122.820 -0.068 0.000 2.572 372 A HA 0.555 4.873 4.320 -0.002 0.000 0.295 372 A C -0.852 176.712 177.584 -0.034 0.000 1.072 372 A CA -0.861 51.159 52.037 -0.028 0.000 0.691 372 A CB 0.756 19.747 19.000 -0.015 0.000 1.291 372 A HN 0.712 nan 8.150 nan 0.000 0.404 373 L N 0.923 122.138 121.223 -0.014 0.000 2.543 373 L HA 0.162 4.500 4.340 -0.002 0.000 0.285 373 L C 1.263 178.121 176.870 -0.020 0.000 1.236 373 L CA 0.481 55.312 54.840 -0.015 0.000 0.871 373 L CB 0.967 43.026 42.059 -0.000 0.000 1.121 373 L HN 0.928 nan 8.230 nan 0.000 0.501 374 A N 4.138 126.943 122.820 -0.025 0.000 2.574 374 A HA 0.481 4.799 4.320 -0.002 0.000 0.283 374 A C -0.112 177.461 177.584 -0.019 0.000 1.270 374 A CA -0.139 51.884 52.037 -0.024 0.000 0.945 374 A CB 0.019 19.001 19.000 -0.030 0.000 1.127 374 A HN 0.481 nan 8.150 nan 0.000 0.522 375 V N -4.737 115.168 119.914 -0.015 0.000 3.181 375 V HA 0.927 5.045 4.120 -0.002 0.000 0.308 375 V C 0.350 176.443 176.094 -0.002 0.000 1.214 375 V CA -0.504 61.790 62.300 -0.010 0.000 1.053 375 V CB 0.817 32.632 31.823 -0.013 0.000 1.069 375 V HN 0.461 nan 8.190 nan 0.000 0.441 376 G N -0.182 108.619 108.800 0.002 0.000 2.527 376 G HA2 0.395 4.354 3.960 -0.002 0.000 0.248 376 G HA3 0.395 4.354 3.960 -0.002 0.000 0.248 376 G C 0.572 175.482 174.900 0.018 0.000 1.231 376 G CA -0.301 44.804 45.100 0.009 0.000 0.838 376 G HN 1.066 nan 8.290 nan 0.000 0.570 377 L N 0.575 121.813 121.223 0.025 0.000 2.051 377 L HA -0.149 4.190 4.340 -0.002 0.000 0.214 377 L C 1.858 178.762 176.870 0.057 0.000 1.076 377 L CA 1.714 56.580 54.840 0.043 0.000 0.758 377 L CB -0.039 42.045 42.059 0.043 0.000 0.890 377 L HN 0.491 nan 8.230 nan 0.000 0.433 378 D N -0.722 119.705 120.400 0.045 0.000 2.363 378 D HA -0.101 4.538 4.640 -0.002 0.000 0.226 378 D C 1.660 177.991 176.300 0.052 0.000 1.020 378 D CA 0.574 54.605 54.000 0.053 0.000 0.892 378 D CB 0.141 40.965 40.800 0.039 0.000 0.900 378 D HN 0.497 nan 8.370 nan 0.000 0.531 379 E N -0.165 120.057 120.200 0.037 0.000 2.447 379 E HA 0.110 4.459 4.350 -0.002 0.000 0.195 379 E C 0.458 177.069 176.600 0.018 0.000 1.028 379 E CA -0.175 56.240 56.400 0.025 0.000 0.876 379 E CB 0.566 30.272 29.700 0.010 0.000 0.885 379 E HN 0.216 nan 8.360 nan 0.000 0.500 380 L N 1.846 123.083 121.223 0.024 0.000 2.490 380 L HA 0.057 4.396 4.340 -0.002 0.000 0.274 380 L C -0.209 176.664 176.870 0.005 0.000 1.201 380 L CA -0.113 54.714 54.840 -0.022 0.000 0.869 380 L CB 0.642 42.679 42.059 -0.037 0.000 1.123 380 L HN -0.139 nan 8.230 nan 0.000 0.484 381 V N 3.854 123.721 119.914 -0.078 0.000 2.448 381 V HA 0.336 4.455 4.120 -0.002 0.000 0.295 381 V C -0.533 175.491 176.094 -0.117 0.000 1.025 381 V CA -0.614 61.675 62.300 -0.017 0.000 0.859 381 V CB 1.387 33.197 31.823 -0.021 0.000 0.988 381 V HN 0.380 nan 8.190 nan 0.000 0.431 382 Y N 3.046 123.360 120.300 0.024 0.000 2.419 382 Y HA 0.568 5.117 4.550 -0.002 0.000 0.328 382 Y C 0.952 176.828 175.900 -0.040 0.000 1.162 382 Y CA -0.691 57.424 58.100 0.025 0.000 1.174 382 Y CB 1.214 39.723 38.460 0.082 0.000 1.228 382 Y HN 0.497 nan 8.280 nan 0.000 0.473 383 R N 1.514 122.067 120.500 0.088 0.000 2.543 383 R HA 0.240 4.579 4.340 -0.002 0.000 0.277 383 R C -0.444 175.716 176.300 -0.233 0.000 1.074 383 R CA -0.363 55.700 56.100 -0.060 0.000 1.076 383 R CB 0.366 30.657 30.300 -0.014 0.000 0.993 383 R HN 0.511 nan 8.270 nan 0.000 0.459 384 R N 1.551 121.719 120.500 -0.554 0.000 2.325 384 R HA 0.107 4.446 4.340 -0.002 0.000 0.323 384 R C -0.387 175.555 176.300 -0.596 0.000 1.177 384 R CA 0.065 55.410 56.100 -1.259 0.000 1.018 384 R CB 0.656 30.262 30.300 -1.156 0.000 1.070 384 R HN 0.399 nan 8.270 nan 0.000 0.495 385 S N 0.337 115.876 115.700 -0.268 0.000 2.536 385 S HA 0.176 4.645 4.470 -0.002 0.000 0.271 385 S C 0.750 175.645 174.600 0.492 0.000 1.134 385 S CA -0.770 57.510 58.200 0.133 0.000 0.897 385 S CB 1.610 64.884 63.200 0.122 0.000 1.094 385 S HN 0.595 nan 8.310 nan 0.000 0.473 386 T N 2.217 117.013 114.554 0.404 0.000 3.107 386 T HA 0.172 4.520 4.350 -0.002 0.000 0.249 386 T C 1.251 176.139 174.700 0.315 0.000 1.096 386 T CA 0.354 62.717 62.100 0.438 0.000 1.012 386 T CB -0.040 68.913 68.868 0.142 0.000 0.977 386 T HN 0.415 nan 8.240 nan 0.000 0.527 387 L N 0.102 121.476 121.223 0.251 0.000 2.500 387 L HA 0.583 4.922 4.340 -0.002 0.000 0.219 387 L C 0.029 177.018 176.870 0.198 0.000 1.057 387 L CA 0.260 55.213 54.840 0.187 0.000 0.854 387 L CB 0.930 43.069 42.059 0.134 0.000 1.078 387 L HN 0.109 nan 8.230 nan 0.000 0.480 388 V N 0.426 120.472 119.914 0.219 0.000 2.656 388 V HA 0.472 4.590 4.120 -0.002 0.000 0.307 388 V C -0.803 175.427 176.094 0.228 0.000 1.051 388 V CA -0.746 61.672 62.300 0.197 0.000 0.893 388 V CB 2.001 33.923 31.823 0.166 0.000 0.999 388 V HN 0.261 nan 8.190 nan 0.000 0.426 389 R N 3.632 124.256 120.500 0.206 0.000 2.215 389 R HA 0.693 5.032 4.340 -0.002 0.000 0.337 389 R C -0.273 176.193 176.300 0.276 0.000 1.010 389 R CA 0.173 56.401 56.100 0.213 0.000 0.871 389 R CB 0.945 31.324 30.300 0.133 0.000 1.134 389 R HN 0.863 nan 8.270 nan 0.000 0.477 390 G N 4.339 113.360 108.800 0.369 0.000 2.739 390 G HA2 0.342 4.300 3.960 -0.002 0.000 0.292 390 G HA3 0.342 4.300 3.960 -0.002 0.000 0.292 390 G C -1.296 173.688 174.900 0.140 0.000 1.444 390 G CA -0.788 44.462 45.100 0.250 0.000 1.144 390 G HN 0.483 nan 8.290 nan 0.000 0.550 391 L N 1.823 122.992 121.223 -0.090 0.000 2.416 391 L HA 0.197 4.535 4.340 -0.002 0.000 0.272 391 L C 1.984 178.747 176.870 -0.178 0.000 1.161 391 L CA -0.163 54.448 54.840 -0.382 0.000 0.845 391 L CB 1.597 43.434 42.059 -0.370 0.000 1.119 391 L HN 0.735 nan 8.230 nan 0.000 0.464 392 S N 2.763 118.353 115.700 -0.184 0.000 2.496 392 S HA 0.047 4.516 4.470 -0.002 0.000 0.224 392 S C 0.680 175.207 174.600 -0.122 0.000 0.996 392 S CA 0.019 58.146 58.200 -0.121 0.000 0.927 392 S CB 0.174 63.313 63.200 -0.102 0.000 0.774 392 S HN 0.720 nan 8.310 nan 0.000 0.524 393 R N -0.399 120.020 120.500 -0.135 0.000 2.604 393 R HA 0.401 4.740 4.340 -0.002 0.000 0.261 393 R C -2.138 174.097 176.300 -0.109 0.000 1.080 393 R CA -0.410 55.627 56.100 -0.105 0.000 0.917 393 R CB 1.333 31.580 30.300 -0.089 0.000 1.252 393 R HN 0.366 nan 8.270 nan 0.000 0.456 394 M N 5.810 125.364 119.600 -0.076 0.000 1.960 394 M HA 0.378 4.857 4.480 -0.002 0.000 0.271 394 M C -2.572 173.699 176.300 -0.049 0.000 0.862 394 M CA -1.834 53.428 55.300 -0.064 0.000 0.854 394 M CB 1.750 34.320 32.600 -0.049 0.000 1.575 394 M HN 0.266 nan 8.290 nan 0.000 0.375 395 P HA 0.078 nan 4.420 nan 0.000 0.266 395 P C -0.883 176.391 177.300 -0.043 0.000 1.215 395 P CA -0.034 63.040 63.100 -0.043 0.000 0.763 395 P CB 0.460 32.137 31.700 -0.038 0.000 0.806 396 V N 0.891 120.774 119.914 -0.051 0.000 3.102 396 V HA 0.704 4.823 4.120 -0.002 0.000 0.312 396 V C -0.429 175.626 176.094 -0.064 0.000 1.135 396 V CA -0.729 61.535 62.300 -0.062 0.000 1.022 396 V CB 2.127 33.896 31.823 -0.089 0.000 1.056 396 V HN 0.272 nan 8.190 nan 0.000 0.436 397 T N 4.099 118.613 114.554 -0.065 0.000 2.749 397 T HA 0.386 4.735 4.350 -0.002 0.000 0.287 397 T C 1.102 175.747 174.700 -0.092 0.000 0.970 397 T CA -0.506 61.555 62.100 -0.066 0.000 0.980 397 T CB 1.277 70.115 68.868 -0.050 0.000 0.924 397 T HN 0.645 nan 8.240 nan 0.000 0.456 398 M N 1.882 121.421 119.600 -0.102 0.000 2.159 398 M HA 0.108 4.587 4.480 -0.002 0.000 0.263 398 M C 1.533 177.762 176.300 -0.118 0.000 1.063 398 M CA 1.204 56.423 55.300 -0.136 0.000 1.110 398 M CB -1.660 30.858 32.600 -0.136 0.000 1.374 398 M HN 1.004 nan 8.290 nan 0.000 0.411 399 G N 0.281 109.031 108.800 -0.083 0.000 2.796 399 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.571 399 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.571 399 G C -2.881 171.984 174.900 -0.059 0.000 1.370 399 G CA -1.181 43.880 45.100 -0.064 0.000 0.856 399 G HN 0.179 nan 8.290 nan 0.000 0.538 400 P HA 0.251 nan 4.420 nan 0.000 0.266 400 P C 0.286 177.562 177.300 -0.041 0.000 1.195 400 P CA 0.089 63.167 63.100 -0.036 0.000 0.768 400 P CB 0.375 32.060 31.700 -0.025 0.000 0.838 401 R N 1.485 121.963 120.500 -0.037 0.000 2.543 401 R HA 0.246 4.585 4.340 -0.002 0.000 0.277 401 R C 0.719 177.006 176.300 -0.021 0.000 1.074 401 R CA -0.301 55.778 56.100 -0.034 0.000 1.076 401 R CB 0.281 30.563 30.300 -0.029 0.000 0.993 401 R HN 0.445 nan 8.270 nan 0.000 0.459 402 S N 0.892 116.582 115.700 -0.016 0.000 2.563 402 S HA 0.215 4.683 4.470 -0.002 0.000 0.284 402 S C 0.106 174.705 174.600 -0.002 0.000 1.331 402 S CA -0.308 57.889 58.200 -0.004 0.000 1.047 402 S CB 0.594 63.796 63.200 0.004 0.000 0.859 402 S HN 0.622 nan 8.310 nan 0.000 0.514 403 A N 0.000 122.820 122.820 0.001 0.000 2.254 403 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 403 A CA 0.000 52.038 52.037 0.001 0.000 0.836 403 A CB 0.000 19.000 19.000 0.000 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486