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 3a50_1_D 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 S 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 0.000 177.564 177.584 -0.034 0.000 1.274 2 A CA 0.000 52.028 52.037 -0.014 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 3 L N 0.577 121.771 121.223 -0.048 0.000 2.357 3 L HA 0.779 5.121 4.340 0.003 0.000 0.273 3 L C 0.521 177.346 176.870 -0.075 0.000 1.080 3 L CA -0.341 54.462 54.840 -0.060 0.000 0.803 3 L CB 1.716 43.739 42.059 -0.060 0.000 1.174 3 L HN 0.807 nan 8.230 nan 0.000 0.443 4 T N -0.140 114.378 114.554 -0.061 0.000 2.894 4 T HA 0.360 4.712 4.350 0.003 0.000 0.309 4 T C -0.478 174.204 174.700 -0.030 0.000 1.208 4 T CA -0.544 61.525 62.100 -0.052 0.000 1.016 4 T CB 1.478 70.316 68.868 -0.050 0.000 1.192 4 T HN 0.757 nan 8.240 nan 0.000 0.491 5 T N 1.520 116.074 114.554 -0.001 0.000 2.940 5 T HA 0.462 4.814 4.350 0.003 0.000 0.309 5 T C 0.525 175.228 174.700 0.004 0.000 1.056 5 T CA -0.369 61.748 62.100 0.028 0.000 1.137 5 T CB 0.162 69.093 68.868 0.104 0.000 0.976 5 T HN 0.758 nan 8.240 nan 0.000 0.547 6 T N -0.046 114.514 114.554 0.010 0.000 2.929 6 T HA 0.754 5.106 4.350 0.003 0.000 0.284 6 T C 0.813 175.520 174.700 0.011 0.000 1.014 6 T CA -0.136 61.964 62.100 0.000 0.000 1.051 6 T CB 1.115 69.983 68.868 -0.000 0.000 1.028 6 T HN 1.840 nan 8.240 nan 0.000 0.485 7 G N 1.177 109.978 108.800 0.001 0.000 2.451 7 G HA2 -0.142 3.820 3.960 0.003 0.000 0.208 7 G HA3 -0.142 3.820 3.960 0.003 0.000 0.208 7 G C 0.570 175.469 174.900 -0.001 0.000 1.248 7 G CA 0.141 45.246 45.100 0.008 0.000 0.989 7 G HN 1.013 nan 8.290 nan 0.000 0.559 8 T N 1.641 116.202 114.554 0.011 0.000 2.294 8 T HA -0.124 4.228 4.350 0.003 0.000 0.221 8 T C 1.158 175.848 174.700 -0.018 0.000 1.526 8 T CA 2.470 64.575 62.100 0.007 0.000 1.180 8 T CB -0.772 68.112 68.868 0.028 0.000 0.859 8 T HN 0.976 nan 8.240 nan 0.000 0.400 9 E N 1.631 121.823 120.200 -0.012 0.000 2.283 9 E HA 0.495 4.847 4.350 0.003 0.000 0.271 9 E C -0.589 175.867 176.600 -0.240 0.000 1.031 9 E CA -0.674 55.655 56.400 -0.118 0.000 0.868 9 E CB 1.105 30.789 29.700 -0.027 0.000 1.094 9 E HN 0.368 nan 8.360 nan 0.000 0.401 10 Q N 1.901 121.444 119.800 -0.427 0.000 2.341 10 Q HA 0.221 4.563 4.340 0.003 0.000 0.268 10 Q C -1.433 174.248 176.000 -0.532 0.000 1.013 10 Q CA -0.506 55.096 55.803 -0.335 0.000 0.798 10 Q CB 1.005 29.635 28.738 -0.181 0.000 1.253 10 Q HN 0.542 nan 8.270 nan 0.000 0.457 11 H N 2.163 121.205 119.070 -0.046 0.000 2.572 11 H HA 0.272 4.830 4.556 0.003 0.000 0.359 11 H C -0.900 174.377 175.328 -0.084 0.000 1.134 11 H CA -0.920 55.089 56.048 -0.065 0.000 1.187 11 H CB 1.602 31.321 29.762 -0.073 0.000 1.597 11 H HN 0.635 nan 8.280 nan 0.000 0.524 12 D N 2.251 122.662 120.400 0.017 0.000 2.443 12 D HA 0.116 4.758 4.640 0.003 0.000 0.239 12 D C 0.129 176.333 176.300 -0.161 0.000 1.136 12 D CA 0.244 54.200 54.000 -0.072 0.000 0.879 12 D CB 1.162 41.916 40.800 -0.078 0.000 1.195 12 D HN 0.261 nan 8.370 nan 0.000 0.443 13 L N 2.896 123.927 121.223 -0.319 0.000 2.343 13 L HA 0.256 4.598 4.340 0.003 0.000 0.278 13 L C -0.071 176.295 176.870 -0.840 0.000 0.996 13 L CA -0.824 53.573 54.840 -0.738 0.000 0.831 13 L CB 0.770 42.611 42.059 -0.364 0.000 1.232 13 L HN 0.394 nan 8.230 nan 0.000 0.413 14 F N 1.257 120.177 119.950 -1.716 0.000 3.090 14 F HA -0.298 4.231 4.527 0.003 0.000 0.282 14 F C 0.572 175.976 175.800 -0.660 0.000 0.923 14 F CA 0.912 58.117 58.000 -1.326 0.000 0.977 14 F CB -2.025 36.561 39.000 -0.691 0.000 0.954 14 F HN 0.638 nan 8.300 nan 0.000 0.695 15 S N -2.810 112.518 115.700 -0.619 0.000 2.643 15 S HA 0.740 5.212 4.470 0.003 0.000 0.266 15 S C 0.361 174.857 174.600 -0.173 0.000 1.130 15 S CA -0.216 57.900 58.200 -0.139 0.000 0.817 15 S CB 1.365 64.569 63.200 0.007 0.000 1.107 15 S HN 1.781 nan 8.310 nan 0.000 0.471 16 G N 1.678 110.506 108.800 0.047 0.000 2.651 16 G HA2 -0.385 3.578 3.960 0.003 0.000 0.315 16 G HA3 -0.385 3.578 3.960 0.003 0.000 0.315 16 G C 1.153 176.073 174.900 0.033 0.000 1.258 16 G CA 2.058 47.186 45.100 0.046 0.000 1.002 16 G HN 2.361 nan 8.290 nan 0.000 0.551 17 T N -1.464 113.083 114.554 -0.013 0.000 3.072 17 T HA 0.141 4.493 4.350 0.003 0.000 0.266 17 T C 2.039 176.662 174.700 -0.128 0.000 1.127 17 T CA 1.772 63.853 62.100 -0.031 0.000 1.107 17 T CB -0.135 68.717 68.868 -0.026 0.000 0.910 17 T HN 0.738 nan 8.240 nan 0.000 0.513 18 F N 1.039 120.743 119.950 -0.410 0.000 2.095 18 F HA 0.002 4.531 4.527 0.003 0.000 0.298 18 F C 1.860 177.312 175.800 -0.580 0.000 1.104 18 F CA 1.156 58.761 58.000 -0.658 0.000 1.232 18 F CB -0.467 37.938 39.000 -0.991 0.000 0.987 18 F HN 0.181 nan 8.300 nan 0.000 0.475 19 W N 0.076 121.358 121.300 -0.030 0.000 2.342 19 W HA -0.223 4.439 4.660 0.004 0.000 0.297 19 W C 2.553 178.916 176.519 -0.259 0.000 1.213 19 W CA 0.889 58.184 57.345 -0.084 0.000 1.251 19 W CB -0.685 28.825 29.460 0.085 0.000 1.136 19 W HN 0.103 nan 8.180 nan 0.000 0.526 20 Q N 0.422 120.221 119.800 -0.002 0.000 2.049 20 Q HA -0.093 4.249 4.340 0.003 0.000 0.198 20 Q C 0.259 176.055 176.000 -0.341 0.000 0.971 20 Q CA 1.235 57.003 55.803 -0.057 0.000 0.833 20 Q CB -0.060 28.712 28.738 0.056 0.000 0.896 20 Q HN -0.022 nan 8.270 nan 0.000 0.434 21 N N -0.720 117.748 118.700 -0.386 0.000 2.621 21 N HA 0.196 4.938 4.740 0.003 0.000 0.271 21 N C -2.621 172.468 175.510 -0.702 0.000 1.181 21 N CA -1.523 51.254 53.050 -0.455 0.000 0.805 21 N CB 1.771 40.126 38.487 -0.220 0.000 1.351 21 N HN -0.044 nan 8.380 nan 0.000 0.539 22 P HA 0.043 nan 4.420 nan 0.000 0.245 22 P C 0.715 177.201 177.300 -1.356 0.000 1.206 22 P CA 0.568 62.619 63.100 -1.748 0.000 0.781 22 P CB 0.398 30.656 31.700 -2.403 0.000 0.994 23 H N 0.715 119.408 119.070 -0.630 0.000 2.357 23 H HA 0.034 4.592 4.556 0.003 0.000 0.301 23 H C -0.517 174.643 175.328 -0.281 0.000 1.082 23 H CA 1.590 57.455 56.048 -0.305 0.000 1.342 23 H CB -2.055 27.576 29.762 -0.220 0.000 1.389 23 H HN 0.233 nan 8.280 nan 0.000 0.511 24 P HA -0.127 nan 4.420 nan 0.000 0.215 24 P C 1.644 178.576 177.300 -0.613 0.000 1.157 24 P CA 1.948 64.795 63.100 -0.421 0.000 0.874 24 P CB -0.143 31.264 31.700 -0.488 0.000 0.790 25 A N -1.338 121.116 122.820 -0.611 0.000 1.883 25 A HA -0.257 4.066 4.320 0.003 0.000 0.217 25 A C 2.103 179.620 177.584 -0.112 0.000 1.186 25 A CA 1.698 53.527 52.037 -0.346 0.000 0.624 25 A CB -2.017 16.861 19.000 -0.202 0.000 0.822 25 A HN 0.108 nan 8.150 nan 0.000 0.444 26 Y N -0.148 120.085 120.300 -0.111 0.000 2.165 26 Y HA -0.122 4.430 4.550 0.003 0.000 0.286 26 Y C 2.979 178.872 175.900 -0.013 0.000 1.155 26 Y CA 0.380 58.460 58.100 -0.033 0.000 1.164 26 Y CB -1.170 37.272 38.460 -0.032 0.000 0.978 26 Y HN 0.341 nan 8.280 nan 0.000 0.513 27 A N -0.124 122.770 122.820 0.123 0.000 1.933 27 A HA -0.098 4.224 4.320 0.003 0.000 0.218 27 A C 2.498 180.120 177.584 0.063 0.000 1.175 27 A CA 1.915 53.995 52.037 0.072 0.000 0.628 27 A CB -1.119 17.894 19.000 0.022 0.000 0.814 27 A HN 0.380 nan 8.150 nan 0.000 0.444 28 A N -0.412 122.433 122.820 0.042 0.000 1.929 28 A HA 0.075 4.397 4.320 0.003 0.000 0.216 28 A C 2.150 179.792 177.584 0.096 0.000 1.176 28 A CA 1.258 53.349 52.037 0.088 0.000 0.628 28 A CB -0.502 18.600 19.000 0.169 0.000 0.816 28 A HN 0.461 nan 8.150 nan 0.000 0.444 29 L N -0.961 120.327 121.223 0.107 0.000 1.994 29 L HA -0.198 4.144 4.340 0.003 0.000 0.208 29 L C 2.856 179.786 176.870 0.100 0.000 1.071 29 L CA 1.579 56.487 54.840 0.112 0.000 0.745 29 L CB -0.565 41.584 42.059 0.149 0.000 0.892 29 L HN 0.333 nan 8.230 nan 0.000 0.431 30 R N -0.136 120.426 120.500 0.102 0.000 2.117 30 R HA -0.203 4.139 4.340 0.003 0.000 0.243 30 R C 2.315 178.663 176.300 0.080 0.000 1.143 30 R CA 1.547 57.700 56.100 0.088 0.000 0.968 30 R CB -0.505 29.849 30.300 0.091 0.000 0.863 30 R HN 0.419 nan 8.270 nan 0.000 0.444 31 A N 0.709 123.575 122.820 0.077 0.000 1.898 31 A HA -0.099 4.223 4.320 0.003 0.000 0.214 31 A C 1.654 179.277 177.584 0.065 0.000 1.183 31 A CA 1.094 53.172 52.037 0.068 0.000 0.622 31 A CB 0.116 19.154 19.000 0.063 0.000 0.824 31 A HN 0.178 nan 8.150 nan 0.000 0.444 32 E N -1.688 118.553 120.200 0.069 0.000 2.421 32 E HA 0.087 4.439 4.350 0.003 0.000 0.209 32 E C -0.618 176.021 176.600 0.065 0.000 0.871 32 E CA 0.224 56.662 56.400 0.062 0.000 1.064 32 E CB 0.571 30.306 29.700 0.059 0.000 1.075 32 E HN 0.390 nan 8.360 nan 0.000 0.513 33 D N 0.645 121.090 120.400 0.074 0.000 2.846 33 D HA 0.129 4.771 4.640 0.003 0.000 0.279 33 D C -2.115 174.241 176.300 0.094 0.000 1.222 33 D CA -1.533 52.515 54.000 0.079 0.000 0.769 33 D CB 1.100 41.941 40.800 0.067 0.000 1.299 33 D HN -0.147 nan 8.370 nan 0.000 0.537 34 P HA 0.014 nan 4.420 nan 0.000 0.237 34 P C 0.227 177.588 177.300 0.101 0.000 1.178 34 P CA 0.321 63.475 63.100 0.090 0.000 0.766 34 P CB 0.634 32.384 31.700 0.082 0.000 0.876 35 V N 0.947 120.948 119.914 0.145 0.000 2.383 35 V HA 0.314 4.436 4.120 0.003 0.000 0.264 35 V C 0.016 176.294 176.094 0.308 0.000 1.001 35 V CA -0.768 61.665 62.300 0.221 0.000 0.828 35 V CB 0.874 32.834 31.823 0.229 0.000 1.069 35 V HN -0.076 nan 8.190 nan 0.000 0.451 36 R N 3.025 123.657 120.500 0.220 0.000 2.294 36 R HA 0.447 4.789 4.340 0.003 0.000 0.319 36 R C -0.304 175.950 176.300 -0.077 0.000 0.984 36 R CA -0.342 55.808 56.100 0.083 0.000 0.861 36 R CB 0.938 31.272 30.300 0.056 0.000 1.104 36 R HN 0.521 nan 8.270 nan 0.000 0.451 37 K N 5.536 125.674 120.400 -0.436 0.000 2.276 37 K HA 0.251 4.573 4.320 0.003 0.000 0.285 37 K C -0.946 175.371 176.600 -0.472 0.000 1.062 37 K CA -0.370 55.370 56.287 -0.912 0.000 0.918 37 K CB 0.429 32.039 32.500 -1.482 0.000 1.055 37 K HN 0.579 nan 8.250 nan 0.000 0.477 38 L N 3.531 124.527 121.223 -0.378 0.000 2.287 38 L HA 0.383 4.725 4.340 0.003 0.000 0.287 38 L C 0.248 176.982 176.870 -0.227 0.000 1.022 38 L CA -0.811 53.886 54.840 -0.237 0.000 0.814 38 L CB 1.781 43.728 42.059 -0.187 0.000 1.217 38 L HN 0.634 nan 8.230 nan 0.000 0.420 39 A N 5.735 128.451 122.820 -0.174 0.000 2.981 39 A HA 0.411 4.733 4.320 0.003 0.000 0.280 39 A C 0.211 177.731 177.584 -0.107 0.000 1.743 39 A CA -0.168 51.791 52.037 -0.131 0.000 1.430 39 A CB -0.742 18.197 19.000 -0.101 0.000 1.085 39 A HN 0.648 nan 8.150 nan 0.000 0.597 40 L N 2.239 123.387 121.223 -0.125 0.000 2.468 40 L HA 0.278 4.620 4.340 0.003 0.000 0.254 40 L C -0.654 176.179 176.870 -0.062 0.000 1.171 40 L CA -1.883 52.890 54.840 -0.111 0.000 0.809 40 L CB 0.580 42.534 42.059 -0.174 0.000 1.155 40 L HN 0.366 nan 8.230 nan 0.000 0.473 41 P HA -0.162 nan 4.420 nan 0.000 0.214 41 P C 0.383 177.678 177.300 -0.008 0.000 1.162 41 P CA 1.304 64.396 63.100 -0.012 0.000 0.879 41 P CB 0.102 31.806 31.700 0.006 0.000 0.786 42 D N 0.205 120.603 120.400 -0.004 0.000 2.348 42 D HA 0.244 4.886 4.640 0.003 0.000 0.248 42 D C 1.241 177.549 176.300 0.014 0.000 1.142 42 D CA 0.879 54.888 54.000 0.014 0.000 0.904 42 D CB -0.198 40.620 40.800 0.030 0.000 0.901 42 D HN 0.307 nan 8.370 nan 0.000 0.523 43 G N 1.242 110.037 108.800 -0.009 0.000 2.381 43 G HA2 -0.095 3.867 3.960 0.003 0.000 0.672 43 G HA3 -0.095 3.867 3.960 0.003 0.000 0.672 43 G C -3.020 171.852 174.900 -0.046 0.000 1.324 43 G CA -1.167 43.926 45.100 -0.011 0.000 0.975 43 G HN -0.147 nan 8.290 nan 0.000 0.593 44 P HA 0.486 nan 4.420 nan 0.000 0.271 44 P C -0.374 176.863 177.300 -0.106 0.000 1.220 44 P CA -0.062 62.960 63.100 -0.129 0.000 0.768 44 P CB 1.504 33.114 31.700 -0.150 0.000 0.848 45 V N 3.836 123.647 119.914 -0.172 0.000 2.656 45 V HA 0.330 4.452 4.120 0.003 0.000 0.307 45 V C -0.439 175.572 176.094 -0.139 0.000 1.051 45 V CA -0.553 61.690 62.300 -0.095 0.000 0.893 45 V CB 1.611 33.360 31.823 -0.123 0.000 0.999 45 V HN 0.509 nan 8.190 nan 0.000 0.426 46 W N 4.326 125.574 121.300 -0.086 0.000 2.316 46 W HA 0.698 5.359 4.660 0.003 0.000 0.321 46 W C -0.349 176.118 176.519 -0.086 0.000 1.203 46 W CA -0.431 56.873 57.345 -0.067 0.000 1.214 46 W CB 1.107 30.538 29.460 -0.049 0.000 1.169 46 W HN 0.382 nan 8.180 nan 0.000 0.561 47 L N 4.208 125.531 121.223 0.167 0.000 2.372 47 L HA 0.534 4.877 4.340 0.003 0.000 0.274 47 L C -1.457 175.454 176.870 0.069 0.000 0.988 47 L CA -0.820 54.073 54.840 0.087 0.000 0.833 47 L CB 0.675 42.803 42.059 0.115 0.000 1.236 47 L HN 0.185 nan 8.230 nan 0.000 0.410 48 L N 4.516 125.719 121.223 -0.034 0.000 2.276 48 L HA 0.556 4.898 4.340 0.003 0.000 0.286 48 L C 1.228 178.044 176.870 -0.091 0.000 1.061 48 L CA 0.399 55.175 54.840 -0.107 0.000 0.807 48 L CB 1.424 43.303 42.059 -0.301 0.000 1.177 48 L HN 0.849 nan 8.230 nan 0.000 0.429 49 T N -1.041 113.486 114.554 -0.044 0.000 2.958 49 T HA 0.279 4.631 4.350 0.003 0.000 0.256 49 T C 0.901 175.596 174.700 -0.010 0.000 0.983 49 T CA -0.324 61.756 62.100 -0.034 0.000 0.924 49 T CB 0.142 69.025 68.868 0.024 0.000 1.136 49 T HN 0.294 nan 8.240 nan 0.000 0.506 50 R N 0.526 121.028 120.500 0.003 0.000 2.441 50 R HA 0.382 4.724 4.340 0.003 0.000 0.284 50 R C 0.636 176.959 176.300 0.038 0.000 1.070 50 R CA -0.518 55.614 56.100 0.053 0.000 1.047 50 R CB 0.555 30.895 30.300 0.067 0.000 1.016 50 R HN 0.198 nan 8.270 nan 0.000 0.477 51 Y N 2.861 123.138 120.300 -0.039 0.000 2.097 51 Y HA -0.329 4.223 4.550 0.004 0.000 0.282 51 Y C 2.060 177.886 175.900 -0.124 0.000 1.152 51 Y CA 2.363 60.391 58.100 -0.121 0.000 1.136 51 Y CB -0.113 38.267 38.460 -0.135 0.000 0.975 51 Y HN 0.772 nan 8.280 nan 0.000 0.498 52 A N 0.049 122.917 122.820 0.080 0.000 1.902 52 A HA -0.200 4.122 4.320 0.003 0.000 0.217 52 A C 1.894 179.450 177.584 -0.048 0.000 1.181 52 A CA 2.013 54.056 52.037 0.010 0.000 0.623 52 A CB -0.858 18.210 19.000 0.114 0.000 0.818 52 A HN 0.570 nan 8.150 nan 0.000 0.443 53 D N -0.280 120.102 120.400 -0.030 0.000 2.097 53 D HA -0.103 4.539 4.640 0.003 0.000 0.195 53 D C 2.085 178.225 176.300 -0.268 0.000 0.989 53 D CA 1.449 55.400 54.000 -0.082 0.000 0.827 53 D CB -0.549 40.173 40.800 -0.131 0.000 0.966 53 D HN 0.208 nan 8.370 nan 0.000 0.456 54 V N 1.478 121.226 119.914 -0.277 0.000 2.295 54 V HA -0.218 3.904 4.120 0.003 0.000 0.246 54 V C 2.550 178.551 176.094 -0.154 0.000 1.049 54 V CA 1.416 63.537 62.300 -0.298 0.000 1.024 54 V CB -0.301 31.377 31.823 -0.241 0.000 0.648 54 V HN 0.131 nan 8.190 nan 0.000 0.447 55 R N 0.656 121.002 120.500 -0.257 0.000 2.094 55 R HA -0.244 4.098 4.340 0.003 0.000 0.239 55 R C 2.311 178.672 176.300 0.101 0.000 1.137 55 R CA 2.249 58.240 56.100 -0.183 0.000 0.943 55 R CB -0.766 29.195 30.300 -0.564 0.000 0.850 55 R HN 0.891 nan 8.270 nan 0.000 0.433 56 E N 0.253 120.475 120.200 0.038 0.000 2.107 56 E HA -0.026 4.326 4.350 0.003 0.000 0.191 56 E C 1.966 178.639 176.600 0.123 0.000 0.982 56 E CA 0.976 57.445 56.400 0.115 0.000 0.809 56 E CB -0.276 29.497 29.700 0.121 0.000 0.756 56 E HN 0.219 nan 8.360 nan 0.000 0.459 57 A N 1.026 123.863 122.820 0.028 0.000 1.940 57 A HA -0.134 4.188 4.320 0.003 0.000 0.219 57 A C 1.964 179.504 177.584 -0.073 0.000 1.176 57 A CA 1.259 53.257 52.037 -0.065 0.000 0.631 57 A CB -1.070 17.687 19.000 -0.405 0.000 0.814 57 A HN 0.376 nan 8.150 nan 0.000 0.446 58 F N -0.713 119.220 119.950 -0.028 0.000 2.202 58 F HA -0.195 4.334 4.527 0.003 0.000 0.301 58 F C 2.452 178.244 175.800 -0.013 0.000 1.082 58 F CA 1.646 59.645 58.000 -0.002 0.000 1.313 58 F CB 0.068 39.102 39.000 0.057 0.000 1.024 58 F HN 0.220 nan 8.300 nan 0.000 0.495 59 V N -1.537 118.482 119.914 0.176 0.000 2.685 59 V HA -0.012 4.110 4.120 0.003 0.000 0.244 59 V C 0.682 176.805 176.094 0.048 0.000 1.054 59 V CA 0.585 62.921 62.300 0.059 0.000 1.076 59 V CB -0.321 31.496 31.823 -0.010 0.000 0.725 59 V HN 0.019 nan 8.190 nan 0.000 0.467 60 D N 2.343 122.779 120.400 0.059 0.000 2.426 60 D HA 0.093 4.735 4.640 0.003 0.000 0.261 60 D C -1.493 174.822 176.300 0.025 0.000 1.245 60 D CA -1.585 52.438 54.000 0.038 0.000 0.917 60 D CB 1.674 42.507 40.800 0.055 0.000 1.123 60 D HN 0.348 nan 8.370 nan 0.000 0.508 61 P HA -0.035 nan 4.420 nan 0.000 0.237 61 P C 0.956 178.251 177.300 -0.008 0.000 1.178 61 P CA 0.431 63.541 63.100 0.016 0.000 0.766 61 P CB 0.261 31.971 31.700 0.017 0.000 0.876 62 R N -0.714 119.769 120.500 -0.029 0.000 2.237 62 R HA 0.036 4.378 4.340 0.003 0.000 0.219 62 R C 0.630 176.884 176.300 -0.076 0.000 1.080 62 R CA 0.430 56.487 56.100 -0.072 0.000 0.995 62 R CB -0.275 29.981 30.300 -0.074 0.000 0.875 62 R HN 0.170 nan 8.270 nan 0.000 0.462 63 L N 1.771 122.976 121.223 -0.030 0.000 2.352 63 L HA 0.200 4.542 4.340 0.003 0.000 0.272 63 L C 0.104 176.979 176.870 0.008 0.000 1.109 63 L CA 0.238 55.061 54.840 -0.028 0.000 0.952 63 L CB 0.701 42.735 42.059 -0.042 0.000 1.314 63 L HN -0.004 nan 8.230 nan 0.000 0.427 64 S N 2.275 118.007 115.700 0.053 0.000 2.646 64 S HA 0.344 4.816 4.470 0.003 0.000 0.276 64 S C 1.113 175.868 174.600 0.259 0.000 1.222 64 S CA -0.555 57.732 58.200 0.144 0.000 1.014 64 S CB 1.161 64.452 63.200 0.152 0.000 0.991 64 S HN 0.450 nan 8.310 nan 0.000 0.533 65 K N 1.408 121.950 120.400 0.237 0.000 2.426 65 K HA 0.125 4.447 4.320 0.003 0.000 0.193 65 K C -0.142 176.664 176.600 0.344 0.000 1.028 65 K CA 0.131 56.584 56.287 0.278 0.000 1.047 65 K CB -0.323 32.223 32.500 0.076 0.000 0.821 65 K HN 0.567 nan 8.250 nan 0.000 0.513 66 D N 1.443 122.018 120.400 0.291 0.000 2.352 66 D HA -0.052 4.590 4.640 0.003 0.000 0.245 66 D C 1.131 177.353 176.300 -0.129 0.000 1.224 66 D CA -0.415 53.669 54.000 0.141 0.000 0.879 66 D CB 0.363 41.248 40.800 0.141 0.000 1.057 66 D HN 0.111 nan 8.370 nan 0.000 0.491 67 W N 5.318 126.161 121.300 -0.761 0.000 2.468 67 W HA -0.069 4.593 4.660 0.003 0.000 0.262 67 W C 0.932 177.004 176.519 -0.746 0.000 1.241 67 W CA 0.040 56.520 57.345 -1.443 0.000 1.232 67 W CB -1.029 27.936 29.460 -0.824 0.000 1.124 67 W HN 0.379 nan 8.180 nan 0.000 0.597 68 R N -0.146 120.144 120.500 -0.351 0.000 2.285 68 R HA -0.091 4.251 4.340 0.003 0.000 0.213 68 R C 1.586 177.677 176.300 -0.348 0.000 1.068 68 R CA 1.299 57.149 56.100 -0.417 0.000 1.004 68 R CB -0.746 29.366 30.300 -0.313 0.000 0.873 68 R HN 0.358 nan 8.270 nan 0.000 0.467 69 H N 0.095 119.071 119.070 -0.157 0.000 2.518 69 H HA -0.003 4.555 4.556 0.004 0.000 0.289 69 H C 1.658 176.972 175.328 -0.023 0.000 1.051 69 H CA 0.952 56.971 56.048 -0.048 0.000 1.280 69 H CB 0.161 29.951 29.762 0.045 0.000 1.380 69 H HN 0.093 nan 8.280 nan 0.000 0.566 70 R N -0.180 120.325 120.500 0.009 0.000 2.235 70 R HA -0.006 4.336 4.340 0.003 0.000 0.213 70 R C -0.293 175.984 176.300 -0.039 0.000 1.059 70 R CA 0.250 56.368 56.100 0.030 0.000 0.997 70 R CB 0.189 30.507 30.300 0.029 0.000 0.884 70 R HN 0.059 nan 8.270 nan 0.000 0.462 71 L N 0.978 122.137 121.223 -0.108 0.000 2.360 71 L HA 0.349 4.691 4.340 0.003 0.000 0.271 71 L C -2.123 174.704 176.870 -0.071 0.000 1.057 71 L CA -2.887 51.883 54.840 -0.116 0.000 0.803 71 L CB 0.669 42.616 42.059 -0.186 0.000 1.207 71 L HN -0.251 nan 8.230 nan 0.000 0.445 72 P HA -0.006 nan 4.420 nan 0.000 0.265 72 P C 0.638 177.910 177.300 -0.047 0.000 1.187 72 P CA 0.080 63.158 63.100 -0.037 0.000 0.766 72 P CB 0.566 32.245 31.700 -0.035 0.000 0.820 73 E N 2.077 122.260 120.200 -0.028 0.000 2.070 73 E HA -0.301 4.051 4.350 0.003 0.000 0.197 73 E C 0.951 177.525 176.600 -0.043 0.000 1.004 73 E CA 2.068 58.450 56.400 -0.031 0.000 0.805 73 E CB -0.147 29.548 29.700 -0.007 0.000 0.744 73 E HN 0.583 nan 8.360 nan 0.000 0.451 74 D N -0.656 119.722 120.400 -0.036 0.000 2.348 74 D HA -0.158 4.484 4.640 0.003 0.000 0.216 74 D C 1.477 177.749 176.300 -0.048 0.000 0.970 74 D CA 0.677 54.656 54.000 -0.036 0.000 0.889 74 D CB -0.184 40.599 40.800 -0.027 0.000 0.912 74 D HN 0.293 nan 8.370 nan 0.000 0.524 75 Q N -0.366 119.397 119.800 -0.062 0.000 2.424 75 Q HA 0.157 4.500 4.340 0.003 0.000 0.204 75 Q C 1.828 177.770 176.000 -0.096 0.000 0.933 75 Q CA 0.112 55.869 55.803 -0.077 0.000 0.929 75 Q CB 0.225 28.909 28.738 -0.089 0.000 1.037 75 Q HN 0.326 nan 8.270 nan 0.000 0.511 76 R N 0.575 121.014 120.500 -0.101 0.000 2.062 76 R HA -0.001 4.341 4.340 0.003 0.000 0.229 76 R C 2.326 178.573 176.300 -0.090 0.000 1.128 76 R CA 1.045 57.071 56.100 -0.125 0.000 0.960 76 R CB -0.378 29.831 30.300 -0.152 0.000 0.855 76 R HN 0.139 nan 8.270 nan 0.000 0.432 77 A N 1.744 124.526 122.820 -0.064 0.000 1.927 77 A HA -0.208 4.114 4.320 0.003 0.000 0.220 77 A C 1.246 178.810 177.584 -0.034 0.000 1.185 77 A CA 1.984 53.996 52.037 -0.041 0.000 0.639 77 A CB -0.329 18.653 19.000 -0.031 0.000 0.820 77 A HN 0.193 nan 8.150 nan 0.000 0.451 78 D N -1.134 119.241 120.400 -0.041 0.000 2.328 78 D HA 0.147 4.789 4.640 0.003 0.000 0.221 78 D C 0.242 176.519 176.300 -0.038 0.000 1.072 78 D CA 0.211 54.191 54.000 -0.033 0.000 0.850 78 D CB 0.104 40.884 40.800 -0.033 0.000 0.922 78 D HN 0.278 nan 8.370 nan 0.000 0.516 79 M N 1.423 120.991 119.600 -0.054 0.000 2.423 79 M HA 0.334 4.816 4.480 0.003 0.000 0.335 79 M C -2.315 173.991 176.300 0.011 0.000 1.177 79 M CA -2.301 52.964 55.300 -0.059 0.000 1.038 79 M CB 1.147 33.655 32.600 -0.154 0.000 1.641 79 M HN -0.284 nan 8.290 nan 0.000 0.455 80 P HA 0.169 nan 4.420 nan 0.000 0.271 80 P C 0.044 177.527 177.300 0.306 0.000 1.216 80 P CA -0.057 63.140 63.100 0.162 0.000 0.776 80 P CB 0.408 32.223 31.700 0.191 0.000 0.881 81 A N 2.873 125.815 122.820 0.204 0.000 2.070 81 A HA 0.009 4.331 4.320 0.003 0.000 0.220 81 A C 1.057 178.730 177.584 0.148 0.000 1.159 81 A CA 1.750 53.908 52.037 0.202 0.000 0.656 81 A CB -0.907 18.145 19.000 0.087 0.000 0.800 81 A HN 0.747 nan 8.150 nan 0.000 0.453 82 T N -6.371 108.189 114.554 0.009 0.000 2.868 82 T HA 0.530 4.882 4.350 0.003 0.000 0.306 82 T C -2.593 171.780 174.700 -0.545 0.000 1.224 82 T CA -0.838 60.948 62.100 -0.523 0.000 1.012 82 T CB 2.004 70.697 68.868 -0.292 0.000 1.221 82 T HN -0.081 nan 8.240 nan 0.000 0.499 83 P HA 0.193 nan 4.420 nan 0.000 0.231 83 P C 0.025 177.192 177.300 -0.221 0.000 1.168 83 P CA 0.419 63.206 63.100 -0.523 0.000 0.779 83 P CB 0.104 31.421 31.700 -0.638 0.000 0.844 84 T N 1.128 115.553 114.554 -0.215 0.000 3.435 84 T HA 0.223 4.575 4.350 0.003 0.000 0.344 84 T C -3.030 171.619 174.700 -0.084 0.000 1.211 84 T CA -0.957 61.085 62.100 -0.097 0.000 1.104 84 T CB 2.406 71.238 68.868 -0.060 0.000 1.196 84 T HN -0.126 nan 8.240 nan 0.000 0.471 85 P HA 0.180 nan 4.420 nan 0.000 0.232 85 P C -0.361 176.937 177.300 -0.003 0.000 1.738 85 P CA -0.201 62.887 63.100 -0.020 0.000 0.948 85 P CB -0.445 31.258 31.700 0.005 0.000 1.943 86 M N 1.396 120.988 119.600 -0.014 0.000 2.211 86 M HA 0.254 4.736 4.480 0.003 0.000 0.356 86 M C 2.142 178.469 176.300 0.044 0.000 1.216 86 M CA -0.377 54.928 55.300 0.010 0.000 1.134 86 M CB 1.331 33.931 32.600 -0.000 0.000 1.564 86 M HN 0.051 nan 8.290 nan 0.000 0.463 87 M N 1.984 121.631 119.600 0.078 0.000 2.279 87 M HA -0.100 4.382 4.480 0.003 0.000 0.264 87 M C 1.463 177.949 176.300 0.309 0.000 1.062 87 M CA 1.836 57.241 55.300 0.175 0.000 1.099 87 M CB -0.477 32.195 32.600 0.121 0.000 1.394 87 M HN 0.751 nan 8.290 nan 0.000 0.426 88 I N 1.012 121.694 120.570 0.187 0.000 3.001 88 I HA -0.099 4.073 4.170 0.003 0.000 0.268 88 I C 1.133 177.238 176.117 -0.021 0.000 1.267 88 I CA 0.726 62.095 61.300 0.114 0.000 1.472 88 I CB 0.142 38.172 38.000 0.049 0.000 1.089 88 I HN 0.396 nan 8.210 nan 0.000 0.468 89 L N 0.376 121.612 121.223 0.021 0.000 2.700 89 L HA 0.308 4.650 4.340 0.003 0.000 0.234 89 L C 0.047 176.934 176.870 0.028 0.000 1.156 89 L CA -0.097 54.729 54.840 -0.023 0.000 0.946 89 L CB -0.100 41.890 42.059 -0.114 0.000 1.216 89 L HN 0.160 nan 8.230 nan 0.000 0.493 90 M N -0.951 118.726 119.600 0.128 0.000 2.662 90 M HA 0.402 4.884 4.480 0.003 0.000 0.310 90 M C -1.045 175.394 176.300 0.233 0.000 1.204 90 M CA -0.699 54.702 55.300 0.169 0.000 0.891 90 M CB 2.329 35.039 32.600 0.183 0.000 1.732 90 M HN -0.173 nan 8.290 nan 0.000 0.467 91 D N 1.301 121.811 120.400 0.183 0.000 2.387 91 D HA 0.482 5.124 4.640 0.003 0.000 0.255 91 D C -2.394 174.001 176.300 0.159 0.000 1.081 91 D CA -1.314 52.783 54.000 0.162 0.000 0.994 91 D CB 0.599 41.485 40.800 0.143 0.000 1.127 91 D HN 0.159 nan 8.370 nan 0.000 0.513 92 P HA 0.062 nan 4.420 nan 0.000 0.267 92 P C -1.635 175.714 177.300 0.082 0.000 1.200 92 P CA -0.612 62.553 63.100 0.109 0.000 0.772 92 P CB 0.066 31.812 31.700 0.077 0.000 0.855 93 P HA -0.022 nan 4.420 nan 0.000 0.240 93 P C 0.406 177.736 177.300 0.051 0.000 1.190 93 P CA 0.891 64.022 63.100 0.052 0.000 0.781 93 P CB 0.303 32.023 31.700 0.033 0.000 0.931 94 D N -0.697 119.743 120.400 0.066 0.000 2.117 94 D HA -0.174 4.468 4.640 0.003 0.000 0.198 94 D C 1.941 178.275 176.300 0.057 0.000 0.982 94 D CA 0.980 55.012 54.000 0.053 0.000 0.828 94 D CB -0.847 39.988 40.800 0.058 0.000 0.967 94 D HN 0.361 nan 8.370 nan 0.000 0.464 95 H N 0.943 120.028 119.070 0.025 0.000 2.319 95 H HA -0.115 4.443 4.556 0.004 0.000 0.297 95 H C 1.428 176.742 175.328 -0.024 0.000 1.097 95 H CA 2.026 58.081 56.048 0.010 0.000 1.285 95 H CB 0.140 29.897 29.762 -0.009 0.000 1.368 95 H HN 0.034 nan 8.280 nan 0.000 0.495 96 T N 1.120 115.619 114.554 -0.093 0.000 2.708 96 T HA -0.177 4.175 4.350 0.003 0.000 0.266 96 T C 2.151 176.760 174.700 -0.152 0.000 1.037 96 T CA 1.638 63.659 62.100 -0.132 0.000 1.146 96 T CB -0.283 68.582 68.868 -0.005 0.000 0.865 96 T HN 0.403 nan 8.240 nan 0.000 0.435 97 R N 0.766 121.215 120.500 -0.086 0.000 2.083 97 R HA -0.052 4.290 4.340 0.003 0.000 0.237 97 R C 2.376 178.626 176.300 -0.083 0.000 1.137 97 R CA 1.414 57.477 56.100 -0.063 0.000 0.951 97 R CB -0.500 29.783 30.300 -0.029 0.000 0.851 97 R HN 0.359 nan 8.270 nan 0.000 0.434 98 L N 0.093 121.252 121.223 -0.106 0.000 2.072 98 L HA -0.067 4.275 4.340 0.003 0.000 0.205 98 L C 3.000 179.788 176.870 -0.137 0.000 1.079 98 L CA 1.222 56.005 54.840 -0.095 0.000 0.752 98 L CB -0.454 41.565 42.059 -0.067 0.000 0.906 98 L HN 0.253 nan 8.230 nan 0.000 0.436 99 R N 0.608 120.943 120.500 -0.274 0.000 2.081 99 R HA -0.208 4.134 4.340 0.003 0.000 0.235 99 R C 2.348 178.573 176.300 -0.126 0.000 1.131 99 R CA 1.566 57.516 56.100 -0.250 0.000 0.960 99 R CB -0.086 29.947 30.300 -0.445 0.000 0.856 99 R HN 0.209 nan 8.270 nan 0.000 0.436 100 K N 0.379 120.707 120.400 -0.119 0.000 2.074 100 K HA -0.202 4.120 4.320 0.003 0.000 0.209 100 K C 2.088 178.673 176.600 -0.025 0.000 1.048 100 K CA 1.456 57.709 56.287 -0.057 0.000 0.926 100 K CB -0.181 32.288 32.500 -0.052 0.000 0.713 100 K HN 0.087 nan 8.250 nan 0.000 0.444 101 L N 0.462 121.668 121.223 -0.028 0.000 2.046 101 L HA -0.119 4.223 4.340 0.003 0.000 0.208 101 L C 2.054 178.940 176.870 0.027 0.000 1.077 101 L CA 1.481 56.318 54.840 -0.004 0.000 0.747 101 L CB -0.455 41.598 42.059 -0.010 0.000 0.896 101 L HN 0.078 nan 8.230 nan 0.000 0.432 102 V N -0.712 119.226 119.914 0.040 0.000 3.354 102 V HA 0.140 4.262 4.120 0.003 0.000 0.258 102 V C 2.249 178.465 176.094 0.203 0.000 1.159 102 V CA 0.957 63.333 62.300 0.126 0.000 1.125 102 V CB -0.122 31.763 31.823 0.104 0.000 0.774 102 V HN 0.553 nan 8.190 nan 0.000 0.464 103 G N 0.597 109.460 108.800 0.104 0.000 2.476 103 G HA2 -0.283 3.679 3.960 0.003 0.000 0.218 103 G HA3 -0.283 3.679 3.960 0.003 0.000 0.218 103 G C 1.629 176.613 174.900 0.139 0.000 1.164 103 G CA 0.984 46.153 45.100 0.115 0.000 0.768 103 G HN 0.509 nan 8.290 nan 0.000 0.560 104 R N 0.396 120.945 120.500 0.081 0.000 2.120 104 R HA -0.016 4.326 4.340 0.003 0.000 0.234 104 R C 2.703 179.015 176.300 0.019 0.000 1.123 104 R CA 1.233 57.359 56.100 0.043 0.000 0.975 104 R CB -0.266 30.044 30.300 0.017 0.000 0.866 104 R HN 0.284 nan 8.270 nan 0.000 0.446 105 S N -0.052 115.661 115.700 0.022 0.000 2.555 105 S HA 0.006 4.478 4.470 0.003 0.000 0.230 105 S C 0.531 174.873 174.600 -0.430 0.000 0.978 105 S CA 0.785 58.877 58.200 -0.180 0.000 0.934 105 S CB 0.070 63.145 63.200 -0.209 0.000 0.766 105 S HN 0.223 nan 8.310 nan 0.000 0.533 106 F N 1.253 121.196 119.950 -0.012 0.000 2.772 106 F HA 0.175 4.704 4.527 0.004 0.000 0.316 106 F C 1.219 177.013 175.800 -0.010 0.000 1.114 106 F CA -0.645 57.347 58.000 -0.013 0.000 1.191 106 F CB -0.201 38.789 39.000 -0.016 0.000 1.065 106 F HN -0.011 nan 8.300 nan 0.000 0.534 107 T N -2.267 112.345 114.554 0.097 0.000 2.855 107 T HA 0.034 4.386 4.350 0.003 0.000 0.322 107 T C 1.511 176.238 174.700 0.045 0.000 1.088 107 T CA -0.361 61.776 62.100 0.062 0.000 1.104 107 T CB 1.190 70.076 68.868 0.029 0.000 0.996 107 T HN -0.041 nan 8.240 nan 0.000 0.549 108 V N 1.714 121.653 119.914 0.041 0.000 2.392 108 V HA -0.166 3.957 4.120 0.003 0.000 0.249 108 V C 3.003 179.108 176.094 0.018 0.000 1.059 108 V CA 2.179 64.499 62.300 0.034 0.000 1.051 108 V CB -1.026 30.818 31.823 0.034 0.000 0.658 108 V HN 0.912 nan 8.190 nan 0.000 0.455 109 R N -0.112 120.394 120.500 0.010 0.000 2.070 109 R HA -0.159 4.183 4.340 0.003 0.000 0.232 109 R C 2.617 178.908 176.300 -0.015 0.000 1.138 109 R CA 1.497 57.596 56.100 -0.001 0.000 0.936 109 R CB -0.203 30.095 30.300 -0.003 0.000 0.839 109 R HN 0.327 nan 8.270 nan 0.000 0.429 110 R N 0.067 120.550 120.500 -0.029 0.000 2.091 110 R HA -0.099 4.243 4.340 0.003 0.000 0.238 110 R C 2.215 178.477 176.300 -0.063 0.000 1.136 110 R CA 1.275 57.338 56.100 -0.062 0.000 0.959 110 R CB -0.511 29.726 30.300 -0.106 0.000 0.856 110 R HN 0.330 nan 8.270 nan 0.000 0.437 111 M N 0.849 120.425 119.600 -0.040 0.000 2.132 111 M HA -0.104 4.378 4.480 0.003 0.000 0.263 111 M C 1.611 177.907 176.300 -0.008 0.000 1.065 111 M CA 1.262 56.550 55.300 -0.021 0.000 1.122 111 M CB -1.235 31.379 32.600 0.024 0.000 1.365 111 M HN 0.023 nan 8.290 nan 0.000 0.411 112 N N 0.959 119.659 118.700 -0.000 0.000 2.137 112 N HA -0.171 4.571 4.740 0.003 0.000 0.190 112 N C 1.508 177.016 175.510 -0.004 0.000 1.017 112 N CA 1.205 54.258 53.050 0.004 0.000 0.859 112 N CB -0.367 38.124 38.487 0.007 0.000 1.002 112 N HN 0.509 nan 8.380 nan 0.000 0.428 113 E N 0.079 120.270 120.200 -0.015 0.000 2.331 113 E HA -0.108 4.245 4.350 0.003 0.000 0.199 113 E C 1.387 177.975 176.600 -0.021 0.000 1.008 113 E CA 0.465 56.853 56.400 -0.020 0.000 0.843 113 E CB -0.055 29.626 29.700 -0.030 0.000 0.761 113 E HN 0.382 nan 8.360 nan 0.000 0.507 114 L N 0.211 121.420 121.223 -0.022 0.000 2.567 114 L HA -0.003 4.339 4.340 0.003 0.000 0.225 114 L C 2.301 179.166 176.870 -0.008 0.000 1.119 114 L CA 0.172 54.999 54.840 -0.021 0.000 0.871 114 L CB -0.022 42.019 42.059 -0.030 0.000 1.036 114 L HN 0.116 nan 8.230 nan 0.000 0.459 115 E N 1.193 121.393 120.200 -0.000 0.000 2.085 115 E HA -0.212 4.140 4.350 0.003 0.000 0.194 115 E C -0.642 175.963 176.600 0.009 0.000 0.994 115 E CA 1.264 57.670 56.400 0.009 0.000 0.801 115 E CB -0.395 29.314 29.700 0.015 0.000 0.743 115 E HN 0.306 nan 8.360 nan 0.000 0.453 116 P HA -0.168 nan 4.420 nan 0.000 0.215 116 P C 1.077 178.380 177.300 0.006 0.000 1.153 116 P CA 1.391 64.495 63.100 0.007 0.000 0.853 116 P CB -0.028 31.674 31.700 0.004 0.000 0.788 117 R N 0.180 120.680 120.500 -0.000 0.000 2.075 117 R HA -0.029 4.313 4.340 0.003 0.000 0.232 117 R C 2.153 178.451 176.300 -0.003 0.000 1.126 117 R CA 1.445 57.543 56.100 -0.003 0.000 0.963 117 R CB -1.615 28.679 30.300 -0.010 0.000 0.858 117 R HN 0.118 nan 8.270 nan 0.000 0.435 118 I N 0.069 120.637 120.570 -0.004 0.000 2.208 118 I HA -0.315 3.857 4.170 0.003 0.000 0.245 118 I C 1.836 177.956 176.117 0.005 0.000 1.097 118 I CA 1.981 63.278 61.300 -0.006 0.000 1.363 118 I CB -0.470 37.529 38.000 -0.001 0.000 1.051 118 I HN 0.239 nan 8.210 nan 0.000 0.413 119 T N -0.254 114.310 114.554 0.017 0.000 2.708 119 T HA -0.206 4.146 4.350 0.003 0.000 0.266 119 T C 1.793 176.511 174.700 0.031 0.000 1.037 119 T CA 1.304 63.422 62.100 0.030 0.000 1.146 119 T CB -0.293 68.593 68.868 0.031 0.000 0.865 119 T HN 0.381 nan 8.240 nan 0.000 0.435 120 E N 0.459 120.671 120.200 0.021 0.000 2.049 120 E HA -0.150 4.202 4.350 0.003 0.000 0.198 120 E C 2.211 178.824 176.600 0.022 0.000 1.007 120 E CA 1.271 57.682 56.400 0.020 0.000 0.809 120 E CB -0.318 29.389 29.700 0.012 0.000 0.749 120 E HN 0.484 nan 8.360 nan 0.000 0.450 121 I N 0.793 121.369 120.570 0.011 0.000 2.127 121 I HA -0.321 3.851 4.170 0.003 0.000 0.241 121 I C 2.608 178.738 176.117 0.021 0.000 1.075 121 I CA 1.204 62.505 61.300 0.003 0.000 1.334 121 I CB -0.411 37.574 38.000 -0.025 0.000 1.040 121 I HN 0.112 nan 8.210 nan 0.000 0.405 122 A N 0.493 123.328 122.820 0.026 0.000 1.883 122 A HA -0.274 4.048 4.320 0.003 0.000 0.217 122 A C 1.965 179.640 177.584 0.152 0.000 1.186 122 A CA 2.343 54.437 52.037 0.095 0.000 0.624 122 A CB -0.701 18.360 19.000 0.102 0.000 0.822 122 A HN 0.388 nan 8.150 nan 0.000 0.444 123 D N -0.474 119.981 120.400 0.092 0.000 2.117 123 D HA -0.062 4.580 4.640 0.003 0.000 0.197 123 D C 2.125 178.464 176.300 0.064 0.000 0.987 123 D CA 1.409 55.454 54.000 0.074 0.000 0.829 123 D CB -0.835 39.995 40.800 0.049 0.000 0.961 123 D HN 0.425 nan 8.370 nan 0.000 0.460 124 G N 1.023 109.856 108.800 0.055 0.000 2.476 124 G HA2 -0.239 3.723 3.960 0.003 0.000 0.218 124 G HA3 -0.239 3.723 3.960 0.003 0.000 0.218 124 G C 1.775 176.712 174.900 0.062 0.000 1.164 124 G CA 0.649 45.776 45.100 0.046 0.000 0.768 124 G HN 0.272 nan 8.290 nan 0.000 0.560 125 L N -0.167 121.117 121.223 0.101 0.000 2.046 125 L HA 0.014 4.356 4.340 0.003 0.000 0.208 125 L C 2.866 179.805 176.870 0.115 0.000 1.077 125 L CA 0.536 55.461 54.840 0.142 0.000 0.747 125 L CB -0.446 41.762 42.059 0.249 0.000 0.896 125 L HN 0.159 nan 8.230 nan 0.000 0.432 126 L N -0.320 120.965 121.223 0.103 0.000 2.141 126 L HA -0.131 4.211 4.340 0.003 0.000 0.209 126 L C 2.825 179.689 176.870 -0.010 0.000 1.094 126 L CA 0.899 55.736 54.840 -0.004 0.000 0.763 126 L CB -0.692 41.359 42.059 -0.014 0.000 0.908 126 L HN 0.227 nan 8.230 nan 0.000 0.437 127 A N 0.115 122.944 122.820 0.014 0.000 1.968 127 A HA -0.038 4.284 4.320 0.003 0.000 0.217 127 A C 2.240 179.825 177.584 0.002 0.000 1.169 127 A CA 1.497 53.538 52.037 0.006 0.000 0.638 127 A CB -0.837 18.171 19.000 0.014 0.000 0.812 127 A HN 0.415 nan 8.150 nan 0.000 0.446 128 G N -1.172 107.636 108.800 0.012 0.000 3.042 128 G HA2 0.391 4.353 3.960 0.003 0.000 0.212 128 G HA3 0.391 4.353 3.960 0.003 0.000 0.212 128 G C 0.351 175.252 174.900 0.002 0.000 1.166 128 G CA -0.250 44.856 45.100 0.010 0.000 0.767 128 G HN 0.351 nan 8.290 nan 0.000 0.546 129 L N 2.121 123.337 121.223 -0.011 0.000 2.307 129 L HA 0.350 4.692 4.340 0.003 0.000 0.282 129 L C -1.738 175.108 176.870 -0.039 0.000 1.051 129 L CA -2.028 52.795 54.840 -0.028 0.000 0.804 129 L CB 1.718 43.744 42.059 -0.056 0.000 1.197 129 L HN -0.035 nan 8.230 nan 0.000 0.431 130 P HA 0.082 nan 4.420 nan 0.000 0.272 130 P C 0.128 177.399 177.300 -0.048 0.000 1.223 130 P CA -0.265 62.813 63.100 -0.036 0.000 0.784 130 P CB 0.943 32.624 31.700 -0.031 0.000 0.923 131 T N -0.611 113.918 114.554 -0.042 0.000 2.978 131 T HA 0.022 4.374 4.350 0.003 0.000 0.262 131 T C 0.197 174.870 174.700 -0.044 0.000 1.063 131 T CA 1.194 63.266 62.100 -0.046 0.000 1.140 131 T CB -0.207 68.639 68.868 -0.038 0.000 0.886 131 T HN 0.463 nan 8.240 nan 0.000 0.470 132 D N -0.728 119.650 120.400 -0.036 0.000 2.342 132 D HA 0.606 5.248 4.640 0.003 0.000 0.243 132 D C 0.496 176.777 176.300 -0.031 0.000 1.019 132 D CA 0.594 54.574 54.000 -0.032 0.000 0.864 132 D CB 1.654 42.439 40.800 -0.026 0.000 1.315 132 D HN 0.292 nan 8.370 nan 0.000 0.468 133 G N 1.475 110.256 108.800 -0.030 0.000 2.587 133 G HA2 -0.073 3.889 3.960 0.003 0.000 0.212 133 G HA3 -0.073 3.889 3.960 0.003 0.000 0.212 133 G C -2.632 172.249 174.900 -0.032 0.000 1.327 133 G CA -0.986 44.097 45.100 -0.028 0.000 0.898 133 G HN 0.536 nan 8.290 nan 0.000 0.551 134 P HA 0.671 nan 4.420 nan 0.000 0.294 134 P C -0.840 176.440 177.300 -0.033 0.000 1.294 134 P CA -0.538 62.543 63.100 -0.031 0.000 0.827 134 P CB 1.904 33.587 31.700 -0.028 0.000 0.992 135 V N 2.678 122.570 119.914 -0.037 0.000 2.638 135 V HA 0.200 4.323 4.120 0.003 0.000 0.306 135 V C -0.412 175.664 176.094 -0.030 0.000 1.052 135 V CA -0.491 61.789 62.300 -0.034 0.000 0.885 135 V CB 2.031 33.826 31.823 -0.046 0.000 0.999 135 V HN 0.529 nan 8.190 nan 0.000 0.424 136 D N 3.784 124.171 120.400 -0.022 0.000 2.422 136 D HA 0.135 4.777 4.640 0.003 0.000 0.227 136 D C 0.847 177.153 176.300 0.009 0.000 1.190 136 D CA -0.256 53.733 54.000 -0.019 0.000 0.905 136 D CB 1.196 41.978 40.800 -0.030 0.000 1.034 136 D HN 0.385 nan 8.370 nan 0.000 0.507 137 L N 4.413 125.643 121.223 0.011 0.000 2.127 137 L HA -0.197 4.145 4.340 0.003 0.000 0.211 137 L C 1.818 178.759 176.870 0.118 0.000 1.089 137 L CA 1.474 56.350 54.840 0.059 0.000 0.757 137 L CB -0.274 41.800 42.059 0.024 0.000 0.899 137 L HN 0.483 nan 8.230 nan 0.000 0.434 138 M N -0.839 118.801 119.600 0.067 0.000 2.091 138 M HA -0.233 4.249 4.480 0.003 0.000 0.259 138 M C 2.423 178.786 176.300 0.105 0.000 1.076 138 M CA 1.818 57.166 55.300 0.079 0.000 1.111 138 M CB -1.553 31.057 32.600 0.017 0.000 1.291 138 M HN 0.252 nan 8.290 nan 0.000 0.417 139 R N 0.408 120.921 120.500 0.022 0.000 2.105 139 R HA -0.157 4.185 4.340 0.003 0.000 0.239 139 R C 1.781 178.148 176.300 0.112 0.000 1.135 139 R CA 1.515 57.615 56.100 -0.001 0.000 0.967 139 R CB 0.026 30.276 30.300 -0.082 0.000 0.861 139 R HN 0.444 nan 8.270 nan 0.000 0.442 140 E N -1.620 118.646 120.200 0.110 0.000 2.371 140 E HA -0.128 4.224 4.350 0.003 0.000 0.194 140 E C 0.650 177.380 176.600 0.217 0.000 1.012 140 E CA 0.851 57.330 56.400 0.130 0.000 0.860 140 E CB 0.255 30.011 29.700 0.092 0.000 0.811 140 E HN 0.486 nan 8.360 nan 0.000 0.502 141 Y N -0.415 119.921 120.300 0.060 0.000 3.324 141 Y HA 0.289 4.841 4.550 0.003 0.000 0.187 141 Y C 2.196 178.134 175.900 0.063 0.000 0.920 141 Y CA 0.712 58.839 58.100 0.046 0.000 1.710 141 Y CB -0.224 38.248 38.460 0.019 0.000 1.461 141 Y HN -0.086 nan 8.280 nan 0.000 0.360 142 A N 0.473 123.343 122.820 0.083 0.000 1.940 142 A HA -0.212 4.110 4.320 0.003 0.000 0.219 142 A C 1.943 179.538 177.584 0.019 0.000 1.176 142 A CA 1.954 53.997 52.037 0.011 0.000 0.631 142 A CB -1.293 17.780 19.000 0.123 0.000 0.814 142 A HN 0.651 nan 8.150 nan 0.000 0.446 143 F N 0.304 120.224 119.950 -0.051 0.000 2.163 143 F HA -0.119 4.410 4.527 0.003 0.000 0.297 143 F C 2.510 178.256 175.800 -0.091 0.000 1.094 143 F CA 1.803 59.772 58.000 -0.052 0.000 1.290 143 F CB -0.140 38.846 39.000 -0.023 0.000 1.017 143 F HN 0.175 nan 8.300 nan 0.000 0.483 144 Q N 0.649 120.421 119.800 -0.047 0.000 2.084 144 Q HA -0.175 4.168 4.340 0.003 0.000 0.202 144 Q C 2.486 178.346 176.000 -0.233 0.000 0.978 144 Q CA 2.013 57.736 55.803 -0.133 0.000 0.844 144 Q CB -0.678 28.052 28.738 -0.014 0.000 0.898 144 Q HN 0.513 nan 8.270 nan 0.000 0.426 145 I N 1.055 121.471 120.570 -0.256 0.000 2.113 145 I HA -0.246 3.926 4.170 0.003 0.000 0.238 145 I C -0.661 175.331 176.117 -0.209 0.000 1.070 145 I CA 1.310 62.469 61.300 -0.234 0.000 1.332 145 I CB -1.568 36.258 38.000 -0.289 0.000 1.044 145 I HN 0.145 nan 8.210 nan 0.000 0.402 146 P HA -0.111 nan 4.420 nan 0.000 0.215 146 P C 1.975 179.100 177.300 -0.290 0.000 1.153 146 P CA 1.211 64.187 63.100 -0.206 0.000 0.853 146 P CB -0.030 31.559 31.700 -0.186 0.000 0.788 147 V N -0.164 119.456 119.914 -0.491 0.000 2.295 147 V HA -0.275 3.847 4.120 0.003 0.000 0.246 147 V C 2.759 178.681 176.094 -0.286 0.000 1.049 147 V CA 1.960 63.899 62.300 -0.601 0.000 1.024 147 V CB -1.272 29.971 31.823 -0.966 0.000 0.648 147 V HN 0.143 nan 8.190 nan 0.000 0.447 148 Q N -0.420 119.254 119.800 -0.210 0.000 2.050 148 Q HA -0.183 4.159 4.340 0.003 0.000 0.202 148 Q C 2.264 178.221 176.000 -0.071 0.000 0.980 148 Q CA 2.161 57.903 55.803 -0.101 0.000 0.840 148 Q CB -0.128 28.560 28.738 -0.082 0.000 0.898 148 Q HN 0.518 nan 8.270 nan 0.000 0.424 149 V N 0.636 120.498 119.914 -0.086 0.000 2.287 149 V HA -0.281 3.841 4.120 0.003 0.000 0.248 149 V C 2.209 178.284 176.094 -0.033 0.000 1.053 149 V CA 1.733 64.002 62.300 -0.052 0.000 1.027 149 V CB -0.510 31.284 31.823 -0.049 0.000 0.646 149 V HN 0.426 nan 8.190 nan 0.000 0.447 150 I N -0.575 119.968 120.570 -0.045 0.000 2.361 150 I HA -0.209 3.963 4.170 0.003 0.000 0.251 150 I C 2.341 178.467 176.117 0.013 0.000 1.133 150 I CA 1.420 62.718 61.300 -0.002 0.000 1.413 150 I CB -0.408 37.591 38.000 -0.001 0.000 1.073 150 I HN 0.335 nan 8.210 nan 0.000 0.424 151 C N 0.195 119.504 119.300 0.014 0.000 2.425 151 C HA -0.131 4.331 4.460 0.003 0.000 0.277 151 C C 2.578 177.591 174.990 0.039 0.000 1.280 151 C CA 0.896 59.950 59.018 0.061 0.000 1.744 151 C CB -1.147 26.663 27.740 0.115 0.000 1.989 151 C HN 0.515 nan 8.230 nan 0.000 0.491 152 E N 0.216 120.425 120.200 0.015 0.000 2.072 152 E HA -0.177 4.175 4.350 0.003 0.000 0.190 152 E C 1.988 178.585 176.600 -0.006 0.000 0.982 152 E CA 0.781 57.185 56.400 0.005 0.000 0.803 152 E CB -0.233 29.463 29.700 -0.006 0.000 0.755 152 E HN 0.448 nan 8.360 nan 0.000 0.453 153 L N 0.719 121.935 121.223 -0.011 0.000 2.093 153 L HA -0.123 4.219 4.340 0.003 0.000 0.208 153 L C 1.865 178.726 176.870 -0.015 0.000 1.085 153 L CA 1.596 56.418 54.840 -0.031 0.000 0.755 153 L CB -0.089 41.951 42.059 -0.030 0.000 0.904 153 L HN 0.102 nan 8.230 nan 0.000 0.435 154 L N -1.099 120.131 121.223 0.012 0.000 2.298 154 L HA 0.289 4.631 4.340 0.003 0.000 0.209 154 L C 1.254 178.131 176.870 0.012 0.000 1.084 154 L CA 0.556 55.407 54.840 0.018 0.000 0.816 154 L CB -0.489 41.583 42.059 0.023 0.000 0.967 154 L HN 0.452 nan 8.230 nan 0.000 0.460 155 G N 1.402 110.214 108.800 0.019 0.000 2.356 155 G HA2 -0.202 3.760 3.960 0.003 0.000 0.233 155 G HA3 -0.202 3.760 3.960 0.003 0.000 0.233 155 G C -0.292 174.640 174.900 0.054 0.000 1.105 155 G CA -0.486 44.631 45.100 0.029 0.000 0.861 155 G HN 0.137 nan 8.290 nan 0.000 0.493 156 L N 0.352 121.622 121.223 0.078 0.000 2.275 156 L HA 0.448 4.790 4.340 0.003 0.000 0.288 156 L C -1.769 175.236 176.870 0.225 0.000 1.046 156 L CA -2.220 52.710 54.840 0.149 0.000 0.805 156 L CB 1.190 43.295 42.059 0.077 0.000 1.193 156 L HN -0.065 nan 8.230 nan 0.000 0.426 157 P HA 0.024 nan 4.420 nan 0.000 0.267 157 P C 0.267 177.705 177.300 0.230 0.000 1.205 157 P CA -0.023 63.208 63.100 0.218 0.000 0.765 157 P CB 1.123 32.958 31.700 0.225 0.000 0.828 158 A N 4.235 127.137 122.820 0.137 0.000 2.067 158 A HA -0.166 4.156 4.320 0.003 0.000 0.219 158 A C 1.820 179.420 177.584 0.026 0.000 1.158 158 A CA 1.165 53.252 52.037 0.084 0.000 0.661 158 A CB -0.749 18.282 19.000 0.053 0.000 0.801 158 A HN 0.663 nan 8.150 nan 0.000 0.452 159 E N 0.197 120.423 120.200 0.043 0.000 2.268 159 E HA -0.187 4.165 4.350 0.003 0.000 0.195 159 E C 0.161 176.737 176.600 -0.040 0.000 0.995 159 E CA 1.318 57.723 56.400 0.008 0.000 0.836 159 E CB -0.406 29.316 29.700 0.037 0.000 0.763 159 E HN 0.528 nan 8.360 nan 0.000 0.491 160 D N 0.821 121.213 120.400 -0.014 0.000 2.350 160 D HA 0.072 4.714 4.640 0.003 0.000 0.213 160 D C 1.819 177.674 176.300 -0.742 0.000 1.031 160 D CA -0.042 53.876 54.000 -0.137 0.000 0.861 160 D CB -0.052 40.904 40.800 0.260 0.000 0.926 160 D HN 0.169 nan 8.370 nan 0.000 0.520 161 R N 1.085 121.167 120.500 -0.697 0.000 2.115 161 R HA -0.206 4.136 4.340 0.003 0.000 0.239 161 R C 1.675 177.404 176.300 -0.952 0.000 1.133 161 R CA 2.173 57.642 56.100 -1.051 0.000 0.935 161 R CB -0.466 29.653 30.300 -0.301 0.000 0.853 161 R HN 0.323 nan 8.270 nan 0.000 0.433 162 D N -0.040 120.044 120.400 -0.525 0.000 2.203 162 D HA -0.196 4.446 4.640 0.003 0.000 0.199 162 D C 1.119 177.082 176.300 -0.560 0.000 0.997 162 D CA 1.744 55.506 54.000 -0.397 0.000 0.863 162 D CB -0.301 40.341 40.800 -0.263 0.000 0.928 162 D HN 0.295 nan 8.370 nan 0.000 0.458 163 D N -0.483 119.455 120.400 -0.770 0.000 2.091 163 D HA -0.056 4.586 4.640 0.003 0.000 0.199 163 D C 1.726 177.068 176.300 -1.597 0.000 0.980 163 D CA 1.031 54.394 54.000 -1.062 0.000 0.831 163 D CB -0.302 39.959 40.800 -0.898 0.000 0.987 163 D HN 0.457 nan 8.370 nan 0.000 0.460 164 F N -0.085 119.211 119.950 -1.090 0.000 2.407 164 F HA 0.195 4.724 4.527 0.003 0.000 0.299 164 F C 2.192 177.715 175.800 -0.463 0.000 1.097 164 F CA 0.179 57.733 58.000 -0.743 0.000 1.422 164 F CB -1.027 37.739 39.000 -0.389 0.000 1.067 164 F HN -0.208 nan 8.300 nan 0.000 0.539 165 S N 0.725 116.248 115.700 -0.296 0.000 2.374 165 S HA -0.209 4.263 4.470 0.003 0.000 0.227 165 S C 2.363 176.910 174.600 -0.088 0.000 1.037 165 S CA 1.501 59.697 58.200 -0.008 0.000 1.024 165 S CB -0.777 62.468 63.200 0.074 0.000 0.861 165 S HN 0.592 nan 8.310 nan 0.000 0.456 166 A N 0.549 123.187 122.820 -0.304 0.000 1.929 166 A HA -0.042 4.280 4.320 0.003 0.000 0.216 166 A C 1.935 179.491 177.584 -0.048 0.000 1.176 166 A CA 1.233 53.135 52.037 -0.225 0.000 0.628 166 A CB -0.778 18.021 19.000 -0.336 0.000 0.816 166 A HN 0.737 nan 8.150 nan 0.000 0.444 167 W N -0.033 121.263 121.300 -0.005 0.000 2.381 167 W HA -0.062 4.600 4.660 0.003 0.000 0.301 167 W C 2.904 179.427 176.519 0.007 0.000 1.205 167 W CA 0.821 58.169 57.345 0.006 0.000 1.285 167 W CB -1.559 27.911 29.460 0.015 0.000 1.133 167 W HN 0.428 nan 8.180 nan 0.000 0.521 168 S N 0.878 116.694 115.700 0.193 0.000 2.359 168 S HA -0.209 4.263 4.470 0.003 0.000 0.224 168 S C 2.236 176.906 174.600 0.116 0.000 1.035 168 S CA 2.724 60.987 58.200 0.105 0.000 1.018 168 S CB -0.674 62.505 63.200 -0.036 0.000 0.876 168 S HN 0.249 nan 8.310 nan 0.000 0.448 169 S N 0.478 116.242 115.700 0.108 0.000 2.402 169 S HA -0.021 4.452 4.470 0.003 0.000 0.229 169 S C 1.837 176.481 174.600 0.072 0.000 1.021 169 S CA 1.185 59.440 58.200 0.091 0.000 0.974 169 S CB -0.801 62.431 63.200 0.053 0.000 0.800 169 S HN 0.358 nan 8.310 nan 0.000 0.484 170 V N 2.129 122.093 119.914 0.083 0.000 2.407 170 V HA -0.075 4.048 4.120 0.003 0.000 0.248 170 V C 2.489 178.626 176.094 0.072 0.000 1.055 170 V CA 1.651 63.996 62.300 0.075 0.000 1.049 170 V CB -0.783 31.102 31.823 0.102 0.000 0.662 170 V HN 0.503 nan 8.190 nan 0.000 0.455 171 L N 0.310 121.585 121.223 0.087 0.000 2.201 171 L HA -0.092 4.250 4.340 0.003 0.000 0.212 171 L C 2.237 179.148 176.870 0.068 0.000 1.105 171 L CA 1.376 56.261 54.840 0.075 0.000 0.775 171 L CB -0.488 41.620 42.059 0.081 0.000 0.913 171 L HN 0.479 nan 8.230 nan 0.000 0.440 172 V N -5.735 114.224 119.914 0.075 0.000 3.565 172 V HA 0.189 4.311 4.120 0.003 0.000 0.260 172 V C 0.766 176.900 176.094 0.067 0.000 1.231 172 V CA -0.050 62.297 62.300 0.079 0.000 1.100 172 V CB -0.101 31.781 31.823 0.099 0.000 0.807 172 V HN 0.077 nan 8.190 nan 0.000 0.454 173 D N 2.387 122.814 120.400 0.045 0.000 2.451 173 D HA 0.162 4.804 4.640 0.003 0.000 0.259 173 D C 0.675 176.976 176.300 0.001 0.000 1.201 173 D CA 0.408 54.413 54.000 0.008 0.000 1.028 173 D CB 0.596 41.386 40.800 -0.017 0.000 1.095 173 D HN 0.466 nan 8.370 nan 0.000 0.539 174 D N -0.937 119.435 120.400 -0.045 0.000 2.396 174 D HA -0.068 4.574 4.640 0.003 0.000 0.255 174 D C -0.320 175.974 176.300 -0.009 0.000 1.224 174 D CA -0.115 53.870 54.000 -0.026 0.000 0.894 174 D CB -0.525 40.231 40.800 -0.073 0.000 0.939 174 D HN -0.090 nan 8.370 nan 0.000 0.506 175 S N 1.518 117.218 115.700 0.001 0.000 2.563 175 S HA 0.139 4.611 4.470 0.003 0.000 0.284 175 S C -2.137 172.475 174.600 0.019 0.000 1.331 175 S CA -0.714 57.493 58.200 0.011 0.000 1.047 175 S CB 0.435 63.649 63.200 0.023 0.000 0.859 175 S HN 0.264 nan 8.310 nan 0.000 0.514 176 P HA 0.090 nan 4.420 nan 0.000 0.266 176 P C 0.250 177.566 177.300 0.027 0.000 1.195 176 P CA -0.025 63.088 63.100 0.023 0.000 0.768 176 P CB 0.353 32.065 31.700 0.020 0.000 0.838 177 A N 3.109 125.946 122.820 0.029 0.000 2.024 177 A HA -0.211 4.111 4.320 0.003 0.000 0.220 177 A C 1.577 179.179 177.584 0.030 0.000 1.164 177 A CA 1.802 53.860 52.037 0.034 0.000 0.643 177 A CB -0.885 18.138 19.000 0.038 0.000 0.806 177 A HN 0.507 nan 8.150 nan 0.000 0.451 178 D N 0.109 120.524 120.400 0.025 0.000 2.183 178 D HA -0.074 4.568 4.640 0.003 0.000 0.203 178 D C 1.080 177.393 176.300 0.021 0.000 0.969 178 D CA 1.358 55.370 54.000 0.020 0.000 0.842 178 D CB -0.511 40.299 40.800 0.017 0.000 0.957 178 D HN 0.446 nan 8.370 nan 0.000 0.484 179 D N 0.794 121.209 120.400 0.026 0.000 2.178 179 D HA -0.061 4.581 4.640 0.003 0.000 0.202 179 D C 1.858 178.181 176.300 0.037 0.000 0.974 179 D CA 0.801 54.820 54.000 0.033 0.000 0.841 179 D CB 0.034 40.855 40.800 0.036 0.000 0.953 179 D HN 0.159 nan 8.370 nan 0.000 0.478 180 K N 0.187 120.608 120.400 0.035 0.000 2.103 180 K HA -0.018 4.304 4.320 0.003 0.000 0.204 180 K C 1.590 178.202 176.600 0.021 0.000 1.052 180 K CA 0.573 56.882 56.287 0.037 0.000 0.945 180 K CB 0.037 32.560 32.500 0.039 0.000 0.722 180 K HN 0.055 nan 8.250 nan 0.000 0.443 181 N N 1.293 120.002 118.700 0.015 0.000 2.120 181 N HA -0.139 4.603 4.740 0.003 0.000 0.188 181 N C 1.739 177.234 175.510 -0.024 0.000 1.024 181 N CA 1.414 54.463 53.050 -0.001 0.000 0.852 181 N CB -0.309 38.181 38.487 0.005 0.000 1.003 181 N HN 0.166 nan 8.380 nan 0.000 0.424 182 A N 0.842 123.651 122.820 -0.018 0.000 1.898 182 A HA 0.072 4.394 4.320 0.003 0.000 0.216 182 A C 2.338 179.869 177.584 -0.089 0.000 1.181 182 A CA 1.839 53.852 52.037 -0.040 0.000 0.620 182 A CB -0.775 18.220 19.000 -0.008 0.000 0.819 182 A HN 0.312 nan 8.150 nan 0.000 0.442 183 A N -1.060 121.736 122.820 -0.040 0.000 1.930 183 A HA -0.075 4.247 4.320 0.003 0.000 0.217 183 A C 2.178 179.677 177.584 -0.141 0.000 1.175 183 A CA 2.065 54.069 52.037 -0.056 0.000 0.627 183 A CB -0.462 18.610 19.000 0.120 0.000 0.815 183 A HN 0.539 nan 8.150 nan 0.000 0.443 184 M N 0.194 119.755 119.600 -0.065 0.000 2.117 184 M HA -0.015 4.467 4.480 0.003 0.000 0.262 184 M C 1.982 178.231 176.300 -0.084 0.000 1.065 184 M CA 1.903 57.175 55.300 -0.047 0.000 1.114 184 M CB -0.709 31.877 32.600 -0.023 0.000 1.361 184 M HN 0.323 nan 8.290 nan 0.000 0.408 185 G N -0.281 108.447 108.800 -0.120 0.000 2.418 185 G HA2 -0.201 3.761 3.960 0.003 0.000 0.217 185 G HA3 -0.201 3.761 3.960 0.003 0.000 0.217 185 G C 1.614 176.404 174.900 -0.183 0.000 1.158 185 G CA 0.909 45.937 45.100 -0.120 0.000 0.771 185 G HN 0.475 nan 8.290 nan 0.000 0.545 186 K N -0.266 119.896 120.400 -0.396 0.000 2.026 186 K HA 0.123 4.446 4.320 0.003 0.000 0.208 186 K C 2.424 178.523 176.600 -0.835 0.000 1.048 186 K CA 0.598 56.429 56.287 -0.760 0.000 0.929 186 K CB -0.332 31.350 32.500 -1.363 0.000 0.713 186 K HN 0.209 nan 8.250 nan 0.000 0.439 187 L N 0.824 121.673 121.223 -0.623 0.000 2.017 187 L HA -0.230 4.112 4.340 0.003 0.000 0.208 187 L C 2.778 179.671 176.870 0.037 0.000 1.073 187 L CA 1.497 56.269 54.840 -0.112 0.000 0.745 187 L CB -0.488 41.621 42.059 0.083 0.000 0.894 187 L HN 0.454 nan 8.230 nan 0.000 0.432 188 H N -0.360 118.664 119.070 -0.076 0.000 2.353 188 H HA -0.148 4.410 4.556 0.003 0.000 0.300 188 H C 1.857 177.165 175.328 -0.034 0.000 1.090 188 H CA 1.839 57.864 56.048 -0.038 0.000 1.327 188 H CB 0.062 29.793 29.762 -0.053 0.000 1.383 188 H HN 0.386 nan 8.280 nan 0.000 0.508 189 G N -0.511 108.336 108.800 0.078 0.000 2.394 189 G HA2 -0.306 3.656 3.960 0.003 0.000 0.214 189 G HA3 -0.306 3.656 3.960 0.003 0.000 0.214 189 G C 1.740 176.639 174.900 -0.002 0.000 1.176 189 G CA 0.639 45.762 45.100 0.038 0.000 0.786 189 G HN 0.532 nan 8.290 nan 0.000 0.533 190 Y N 1.207 121.468 120.300 -0.065 0.000 2.114 190 Y HA -0.146 4.406 4.550 0.003 0.000 0.282 190 Y C 2.506 178.431 175.900 0.042 0.000 1.165 190 Y CA 1.743 59.881 58.100 0.063 0.000 1.148 190 Y CB -0.278 38.337 38.460 0.257 0.000 0.972 190 Y HN 0.115 nan 8.280 nan 0.000 0.504 191 L N -0.978 120.230 121.223 -0.026 0.000 2.109 191 L HA -0.188 4.154 4.340 0.003 0.000 0.207 191 L C 2.512 179.248 176.870 -0.223 0.000 1.086 191 L CA 1.252 56.007 54.840 -0.142 0.000 0.760 191 L CB -0.624 41.413 42.059 -0.036 0.000 0.910 191 L HN 0.137 nan 8.230 nan 0.000 0.437 192 S N -0.109 115.442 115.700 -0.249 0.000 2.359 192 S HA -0.202 4.270 4.470 0.003 0.000 0.224 192 S C 1.517 176.024 174.600 -0.154 0.000 1.035 192 S CA 1.537 59.612 58.200 -0.209 0.000 1.018 192 S CB -0.344 62.742 63.200 -0.190 0.000 0.876 192 S HN 0.443 nan 8.310 nan 0.000 0.448 193 D N 1.486 121.788 120.400 -0.163 0.000 2.104 193 D HA -0.069 4.574 4.640 0.003 0.000 0.194 193 D C 1.907 178.096 176.300 -0.184 0.000 0.994 193 D CA 0.630 54.540 54.000 -0.150 0.000 0.830 193 D CB -0.542 40.173 40.800 -0.142 0.000 0.959 193 D HN 0.222 nan 8.370 nan 0.000 0.452 194 L N 0.285 121.329 121.223 -0.299 0.000 2.042 194 L HA -0.169 4.173 4.340 0.003 0.000 0.210 194 L C 2.329 179.116 176.870 -0.138 0.000 1.076 194 L CA 0.997 55.686 54.840 -0.252 0.000 0.749 194 L CB -0.176 41.678 42.059 -0.341 0.000 0.893 194 L HN 0.078 nan 8.230 nan 0.000 0.432 195 L N -0.869 120.277 121.223 -0.129 0.000 2.156 195 L HA -0.171 4.171 4.340 0.003 0.000 0.208 195 L C 2.655 179.486 176.870 -0.065 0.000 1.095 195 L CA 0.729 55.518 54.840 -0.085 0.000 0.770 195 L CB -0.447 41.562 42.059 -0.084 0.000 0.914 195 L HN 0.212 nan 8.230 nan 0.000 0.439 196 E N 0.170 120.328 120.200 -0.070 0.000 2.031 196 E HA -0.239 4.114 4.350 0.003 0.000 0.193 196 E C 2.192 178.768 176.600 -0.041 0.000 0.994 196 E CA 0.996 57.367 56.400 -0.049 0.000 0.800 196 E CB -0.259 29.414 29.700 -0.046 0.000 0.752 196 E HN 0.311 nan 8.360 nan 0.000 0.447 197 R N 1.191 121.662 120.500 -0.049 0.000 2.133 197 R HA -0.172 4.170 4.340 0.003 0.000 0.247 197 R C 2.104 178.387 176.300 -0.027 0.000 1.151 197 R CA 1.765 57.843 56.100 -0.036 0.000 0.971 197 R CB 0.011 30.285 30.300 -0.044 0.000 0.866 197 R HN 0.011 nan 8.270 nan 0.000 0.447 198 K N -0.491 119.888 120.400 -0.034 0.000 2.288 198 K HA -0.066 4.256 4.320 0.003 0.000 0.201 198 K C 2.048 178.636 176.600 -0.019 0.000 1.048 198 K CA 0.982 57.255 56.287 -0.024 0.000 0.956 198 K CB 0.107 32.590 32.500 -0.028 0.000 0.746 198 K HN 0.250 nan 8.250 nan 0.000 0.461 199 R N -0.116 120.371 120.500 -0.021 0.000 2.073 199 R HA -0.085 4.257 4.340 0.003 0.000 0.234 199 R C 2.129 178.422 176.300 -0.012 0.000 1.134 199 R CA 1.821 57.911 56.100 -0.016 0.000 0.952 199 R CB -0.697 29.594 30.300 -0.017 0.000 0.850 199 R HN 0.144 nan 8.270 nan 0.000 0.433 200 T N 0.118 114.665 114.554 -0.011 0.000 2.857 200 T HA -0.083 4.269 4.350 0.003 0.000 0.266 200 T C 0.866 175.562 174.700 -0.006 0.000 1.048 200 T CA 0.839 62.934 62.100 -0.007 0.000 1.139 200 T CB 0.091 68.956 68.868 -0.006 0.000 0.874 200 T HN 0.247 nan 8.240 nan 0.000 0.455 201 E N 2.107 122.303 120.200 -0.006 0.000 3.037 201 E HA 0.222 4.574 4.350 0.003 0.000 0.220 201 E C -2.691 173.907 176.600 -0.004 0.000 1.142 201 E CA -2.211 54.187 56.400 -0.003 0.000 0.888 201 E CB 1.236 30.936 29.700 0.000 0.000 1.329 201 E HN 0.224 nan 8.360 nan 0.000 0.409 202 P HA 0.136 nan 4.420 nan 0.000 0.274 202 P C -0.727 176.571 177.300 -0.003 0.000 1.256 202 P CA -0.067 63.029 63.100 -0.006 0.000 0.795 202 P CB 1.050 32.746 31.700 -0.007 0.000 1.038 203 D N -1.798 118.600 120.400 -0.004 0.000 2.781 203 D HA 0.240 4.882 4.640 0.003 0.000 0.295 203 D C -0.335 175.960 176.300 -0.007 0.000 1.143 203 D CA -0.440 53.558 54.000 -0.003 0.000 1.076 203 D CB -0.228 40.573 40.800 0.001 0.000 1.444 203 D HN 0.066 nan 8.370 nan 0.000 0.567 204 D N -0.806 119.588 120.400 -0.009 0.000 2.340 204 D HA 0.358 5.000 4.640 0.003 0.000 0.217 204 D C 0.364 176.651 176.300 -0.021 0.000 1.081 204 D CA -0.067 53.924 54.000 -0.015 0.000 0.842 204 D CB 0.378 41.168 40.800 -0.016 0.000 0.934 204 D HN 0.505 nan 8.370 nan 0.000 0.511 205 A N 0.254 123.063 122.820 -0.017 0.000 2.240 205 A HA 0.314 4.636 4.320 0.003 0.000 0.292 205 A C 1.398 178.969 177.584 -0.021 0.000 1.121 205 A CA -0.493 51.531 52.037 -0.023 0.000 0.851 205 A CB 0.478 19.471 19.000 -0.013 0.000 1.167 205 A HN 0.138 nan 8.150 nan 0.000 0.503 206 L N -0.565 120.645 121.223 -0.022 0.000 2.056 206 L HA -0.114 4.228 4.340 0.003 0.000 0.207 206 L C 2.286 179.159 176.870 0.004 0.000 1.078 206 L CA 1.371 56.204 54.840 -0.012 0.000 0.749 206 L CB -0.451 41.609 42.059 0.003 0.000 0.901 206 L HN 0.757 nan 8.230 nan 0.000 0.433 207 L N -0.985 120.241 121.223 0.005 0.000 2.042 207 L HA -0.256 4.086 4.340 0.003 0.000 0.210 207 L C 2.639 179.504 176.870 -0.008 0.000 1.076 207 L CA 1.338 56.178 54.840 -0.001 0.000 0.749 207 L CB -0.621 41.433 42.059 -0.007 0.000 0.893 207 L HN 0.230 nan 8.230 nan 0.000 0.432 208 S N -0.519 115.176 115.700 -0.009 0.000 2.368 208 S HA -0.164 4.308 4.470 0.003 0.000 0.225 208 S C 2.196 176.790 174.600 -0.010 0.000 1.030 208 S CA 1.575 59.768 58.200 -0.011 0.000 0.999 208 S CB -0.113 63.081 63.200 -0.010 0.000 0.844 208 S HN 0.396 nan 8.310 nan 0.000 0.459 209 S N 1.822 117.516 115.700 -0.009 0.000 2.368 209 S HA 0.027 4.499 4.470 0.003 0.000 0.225 209 S C 1.804 176.401 174.600 -0.005 0.000 1.030 209 S CA 0.977 59.172 58.200 -0.009 0.000 0.999 209 S CB -0.418 62.775 63.200 -0.012 0.000 0.844 209 S HN 0.370 nan 8.310 nan 0.000 0.459 210 L N 1.068 122.291 121.223 -0.000 0.000 2.156 210 L HA 0.026 4.368 4.340 0.003 0.000 0.208 210 L C 2.375 179.242 176.870 -0.005 0.000 1.095 210 L CA 0.619 55.461 54.840 0.002 0.000 0.770 210 L CB -0.471 41.594 42.059 0.009 0.000 0.914 210 L HN 0.291 nan 8.230 nan 0.000 0.439 211 L N 0.059 121.276 121.223 -0.009 0.000 2.012 211 L HA -0.261 4.081 4.340 0.003 0.000 0.210 211 L C 2.767 179.631 176.870 -0.011 0.000 1.073 211 L CA 1.749 56.581 54.840 -0.014 0.000 0.748 211 L CB -0.322 41.727 42.059 -0.018 0.000 0.891 211 L HN 0.296 nan 8.230 nan 0.000 0.431 212 A N -0.702 122.113 122.820 -0.009 0.000 1.877 212 A HA -0.173 4.149 4.320 0.003 0.000 0.216 212 A C 2.194 179.775 177.584 -0.006 0.000 1.186 212 A CA 1.803 53.835 52.037 -0.008 0.000 0.620 212 A CB -0.934 18.061 19.000 -0.008 0.000 0.822 212 A HN 0.316 nan 8.150 nan 0.000 0.443 213 V N -0.264 119.646 119.914 -0.005 0.000 2.250 213 V HA -0.288 3.834 4.120 0.003 0.000 0.250 213 V C 2.826 178.917 176.094 -0.004 0.000 1.060 213 V CA 2.539 64.837 62.300 -0.004 0.000 1.030 213 V CB -0.990 30.831 31.823 -0.002 0.000 0.643 213 V HN 0.661 nan 8.190 nan 0.000 0.445 214 S N -0.681 115.016 115.700 -0.005 0.000 2.368 214 S HA -0.234 4.238 4.470 0.003 0.000 0.225 214 S C 1.730 176.327 174.600 -0.005 0.000 1.030 214 S CA 1.809 60.007 58.200 -0.005 0.000 0.999 214 S CB -0.483 62.713 63.200 -0.007 0.000 0.844 214 S HN 0.669 nan 8.310 nan 0.000 0.459 215 D N 0.925 121.321 120.400 -0.006 0.000 2.117 215 D HA -0.066 4.576 4.640 0.003 0.000 0.197 215 D C 1.911 178.208 176.300 -0.004 0.000 0.987 215 D CA 1.291 55.288 54.000 -0.006 0.000 0.829 215 D CB -0.265 40.531 40.800 -0.007 0.000 0.961 215 D HN 0.468 nan 8.370 nan 0.000 0.460 216 M N -0.670 118.927 119.600 -0.004 0.000 2.288 216 M HA -0.036 4.446 4.480 0.003 0.000 0.266 216 M C 0.035 176.333 176.300 -0.003 0.000 1.072 216 M CA 0.790 56.087 55.300 -0.004 0.000 1.132 216 M CB 0.494 33.092 32.600 -0.004 0.000 1.386 216 M HN -0.204 nan 8.290 nan 0.000 0.432 217 D N -0.674 119.724 120.400 -0.003 0.000 2.319 217 D HA 0.222 4.864 4.640 0.003 0.000 0.237 217 D C 0.476 176.776 176.300 -0.001 0.000 1.353 217 D CA -0.079 53.920 54.000 -0.002 0.000 0.992 217 D CB 0.973 41.772 40.800 -0.002 0.000 1.368 217 D HN 0.138 nan 8.370 nan 0.000 0.564 218 G N 2.035 110.835 108.800 -0.000 0.000 2.509 218 G HA2 -0.186 3.776 3.960 0.003 0.000 0.218 218 G HA3 -0.186 3.776 3.960 0.003 0.000 0.218 218 G C 0.992 175.893 174.900 0.002 0.000 1.124 218 G CA 0.325 45.426 45.100 0.001 0.000 0.776 218 G HN 0.403 nan 8.290 nan 0.000 0.547 219 D N 0.036 120.437 120.400 0.002 0.000 2.234 219 D HA -0.015 4.627 4.640 0.003 0.000 0.205 219 D C 2.495 178.796 176.300 0.001 0.000 0.962 219 D CA 0.448 54.449 54.000 0.002 0.000 0.855 219 D CB 0.034 40.836 40.800 0.002 0.000 0.951 219 D HN 0.180 nan 8.370 nan 0.000 0.500 220 R N 0.293 120.792 120.500 -0.001 0.000 2.090 220 R HA 0.131 4.473 4.340 0.003 0.000 0.228 220 R C 0.114 176.412 176.300 -0.004 0.000 1.110 220 R CA 0.758 56.856 56.100 -0.003 0.000 0.973 220 R CB 0.136 30.434 30.300 -0.004 0.000 0.869 220 R HN 0.081 nan 8.270 nan 0.000 0.440 221 L N 1.156 122.378 121.223 -0.002 0.000 2.661 221 L HA 0.279 4.621 4.340 0.003 0.000 0.263 221 L C -1.080 175.791 176.870 0.001 0.000 0.956 221 L CA -0.400 54.439 54.840 -0.001 0.000 0.918 221 L CB 1.774 43.832 42.059 -0.002 0.000 1.280 221 L HN 0.363 nan 8.230 nan 0.000 0.416 222 S N 2.737 118.440 115.700 0.004 0.000 2.632 222 S HA 0.181 4.653 4.470 0.003 0.000 0.267 222 S C 0.736 175.340 174.600 0.006 0.000 1.276 222 S CA -0.316 57.888 58.200 0.007 0.000 0.998 222 S CB 1.813 65.020 63.200 0.012 0.000 0.953 222 S HN 0.755 nan 8.310 nan 0.000 0.547 223 Q N 0.273 120.077 119.800 0.007 0.000 2.084 223 Q HA -0.171 4.171 4.340 0.003 0.000 0.202 223 Q C 1.793 177.799 176.000 0.010 0.000 0.978 223 Q CA 2.048 57.852 55.803 0.002 0.000 0.844 223 Q CB -0.387 28.353 28.738 0.003 0.000 0.898 223 Q HN 0.912 nan 8.270 nan 0.000 0.426 224 E N 0.768 120.989 120.200 0.034 0.000 2.150 224 E HA -0.140 4.212 4.350 0.003 0.000 0.193 224 E C 1.552 178.178 176.600 0.043 0.000 0.985 224 E CA 1.276 57.716 56.400 0.066 0.000 0.814 224 E CB 0.038 29.784 29.700 0.078 0.000 0.752 224 E HN 0.393 nan 8.360 nan 0.000 0.466 225 E N -0.407 119.807 120.200 0.024 0.000 2.106 225 E HA -0.144 4.209 4.350 0.003 0.000 0.192 225 E C 1.936 178.539 176.600 0.006 0.000 0.984 225 E CA 0.798 57.207 56.400 0.015 0.000 0.806 225 E CB -0.145 29.562 29.700 0.011 0.000 0.750 225 E HN 0.192 nan 8.360 nan 0.000 0.458 226 L N 0.712 121.934 121.223 -0.002 0.000 2.012 226 L HA -0.180 4.162 4.340 0.003 0.000 0.210 226 L C 2.162 179.016 176.870 -0.027 0.000 1.073 226 L CA 1.569 56.401 54.840 -0.013 0.000 0.748 226 L CB -0.483 41.564 42.059 -0.020 0.000 0.891 226 L HN -0.050 nan 8.230 nan 0.000 0.431 227 V N 0.222 120.108 119.914 -0.047 0.000 2.295 227 V HA -0.271 3.851 4.120 0.003 0.000 0.246 227 V C 2.834 178.905 176.094 -0.037 0.000 1.049 227 V CA 1.652 63.894 62.300 -0.097 0.000 1.024 227 V CB -1.495 30.181 31.823 -0.244 0.000 0.648 227 V HN 0.624 nan 8.190 nan 0.000 0.447 228 A N -0.472 122.354 122.820 0.011 0.000 1.933 228 A HA -0.280 4.042 4.320 0.003 0.000 0.218 228 A C 2.165 179.756 177.584 0.012 0.000 1.175 228 A CA 2.456 54.509 52.037 0.028 0.000 0.628 228 A CB -0.531 18.488 19.000 0.031 0.000 0.814 228 A HN 0.503 nan 8.150 nan 0.000 0.444 229 M N 0.087 119.691 119.600 0.006 0.000 2.132 229 M HA 0.050 4.532 4.480 0.003 0.000 0.263 229 M C 2.140 178.444 176.300 0.007 0.000 1.065 229 M CA 1.741 57.044 55.300 0.006 0.000 1.122 229 M CB -0.548 32.057 32.600 0.008 0.000 1.365 229 M HN 0.343 nan 8.290 nan 0.000 0.411 230 A N 0.144 122.964 122.820 -0.000 0.000 1.902 230 A HA -0.191 4.131 4.320 0.003 0.000 0.217 230 A C 2.183 179.766 177.584 -0.003 0.000 1.181 230 A CA 2.195 54.230 52.037 -0.004 0.000 0.623 230 A CB -0.766 18.220 19.000 -0.023 0.000 0.818 230 A HN 0.643 nan 8.150 nan 0.000 0.443 231 M N -1.328 118.274 119.600 0.003 0.000 2.117 231 M HA -0.108 4.374 4.480 0.003 0.000 0.262 231 M C 2.209 178.521 176.300 0.019 0.000 1.065 231 M CA 1.465 56.775 55.300 0.017 0.000 1.114 231 M CB -0.461 32.160 32.600 0.035 0.000 1.361 231 M HN 0.463 nan 8.290 nan 0.000 0.408 232 L N 0.954 122.186 121.223 0.016 0.000 1.994 232 L HA -0.152 4.191 4.340 0.003 0.000 0.208 232 L C 2.088 178.966 176.870 0.014 0.000 1.071 232 L CA 1.909 56.758 54.840 0.014 0.000 0.745 232 L CB -0.728 41.335 42.059 0.006 0.000 0.892 232 L HN 0.249 nan 8.230 nan 0.000 0.431 233 L N -1.193 120.035 121.223 0.009 0.000 2.093 233 L HA -0.208 4.134 4.340 0.003 0.000 0.208 233 L C 2.563 179.465 176.870 0.054 0.000 1.085 233 L CA 1.312 56.164 54.840 0.019 0.000 0.755 233 L CB -0.611 41.476 42.059 0.047 0.000 0.904 233 L HN 0.382 nan 8.230 nan 0.000 0.435 234 L N -0.026 121.220 121.223 0.038 0.000 2.017 234 L HA -0.224 4.118 4.340 0.003 0.000 0.208 234 L C 2.496 179.453 176.870 0.144 0.000 1.073 234 L CA 1.521 56.392 54.840 0.051 0.000 0.745 234 L CB -0.063 41.938 42.059 -0.097 0.000 0.894 234 L HN 0.110 nan 8.230 nan 0.000 0.432 235 I N -0.028 120.587 120.570 0.076 0.000 2.179 235 I HA -0.274 3.898 4.170 0.003 0.000 0.242 235 I C 2.789 178.992 176.117 0.143 0.000 1.088 235 I CA 1.119 62.478 61.300 0.099 0.000 1.357 235 I CB -0.606 37.436 38.000 0.070 0.000 1.051 235 I HN 0.338 nan 8.210 nan 0.000 0.409 236 A N 0.980 123.859 122.820 0.098 0.000 1.948 236 A HA -0.195 4.128 4.320 0.003 0.000 0.220 236 A C 2.406 180.049 177.584 0.098 0.000 1.177 236 A CA 2.058 54.145 52.037 0.084 0.000 0.636 236 A CB -1.517 17.502 19.000 0.031 0.000 0.815 236 A HN 0.495 nan 8.150 nan 0.000 0.449 237 G N -2.300 106.570 108.800 0.117 0.000 2.471 237 G HA2 -0.121 3.841 3.960 0.003 0.000 0.219 237 G HA3 -0.121 3.841 3.960 0.003 0.000 0.219 237 G C 1.275 176.155 174.900 -0.033 0.000 1.125 237 G CA 1.287 46.423 45.100 0.061 0.000 0.775 237 G HN 0.712 nan 8.290 nan 0.000 0.548 238 H N -0.962 118.114 119.070 0.011 0.000 2.639 238 H HA 0.254 4.812 4.556 0.003 0.000 0.267 238 H C 1.386 176.783 175.328 0.115 0.000 0.958 238 H CA 0.626 56.684 56.048 0.017 0.000 1.221 238 H CB 0.780 30.626 29.762 0.139 0.000 1.446 238 H HN 0.218 nan 8.280 nan 0.000 0.512 239 E N -0.476 119.859 120.200 0.225 0.000 2.676 239 E HA 0.105 4.457 4.350 0.003 0.000 0.222 239 E C 0.854 177.549 176.600 0.159 0.000 0.968 239 E CA 0.625 57.148 56.400 0.206 0.000 1.090 239 E CB 0.982 30.795 29.700 0.189 0.000 1.066 239 E HN 0.532 nan 8.360 nan 0.000 0.496 240 T N -2.971 111.663 114.554 0.134 0.000 3.393 240 T HA 0.015 4.367 4.350 0.003 0.000 0.231 240 T C 1.963 176.737 174.700 0.123 0.000 0.983 240 T CA 0.797 62.976 62.100 0.131 0.000 1.272 240 T CB -0.531 68.416 68.868 0.132 0.000 1.214 240 T HN -0.157 nan 8.240 nan 0.000 0.368 241 T N 2.540 117.157 114.554 0.106 0.000 2.737 241 T HA -0.125 4.227 4.350 0.003 0.000 0.269 241 T C 1.988 176.732 174.700 0.074 0.000 1.040 241 T CA 1.430 63.586 62.100 0.092 0.000 1.142 241 T CB -0.919 67.987 68.868 0.062 0.000 0.861 241 T HN 0.258 nan 8.240 nan 0.000 0.456 242 V N 2.606 122.559 119.914 0.065 0.000 2.363 242 V HA -0.289 3.833 4.120 0.003 0.000 0.254 242 V C 1.881 178.041 176.094 0.111 0.000 1.074 242 V CA 2.088 64.444 62.300 0.092 0.000 1.069 242 V CB -0.490 31.439 31.823 0.176 0.000 0.659 242 V HN 0.501 nan 8.190 nan 0.000 0.455 243 N N -0.581 118.191 118.700 0.121 0.000 2.424 243 N HA 0.002 4.744 4.740 0.003 0.000 0.178 243 N C 1.495 177.072 175.510 0.113 0.000 1.060 243 N CA 1.106 54.232 53.050 0.127 0.000 0.901 243 N CB 0.021 38.597 38.487 0.148 0.000 0.979 243 N HN 0.513 nan 8.380 nan 0.000 0.451 244 L N 1.354 122.638 121.223 0.103 0.000 2.056 244 L HA 0.038 4.380 4.340 0.003 0.000 0.207 244 L C 1.808 178.722 176.870 0.074 0.000 1.078 244 L CA 1.349 56.246 54.840 0.096 0.000 0.749 244 L CB -0.558 41.567 42.059 0.109 0.000 0.901 244 L HN -0.001 nan 8.230 nan 0.000 0.433 245 I N -0.506 120.111 120.570 0.079 0.000 2.163 245 I HA -0.162 4.010 4.170 0.003 0.000 0.240 245 I C 2.554 178.713 176.117 0.070 0.000 1.081 245 I CA 1.226 62.574 61.300 0.080 0.000 1.353 245 I CB -1.302 36.745 38.000 0.078 0.000 1.054 245 I HN 0.382 nan 8.210 nan 0.000 0.407 246 G N 1.377 110.227 108.800 0.083 0.000 2.553 246 G HA2 -0.306 3.656 3.960 0.003 0.000 0.218 246 G HA3 -0.306 3.656 3.960 0.003 0.000 0.218 246 G C 1.393 176.327 174.900 0.057 0.000 1.195 246 G CA 1.330 46.476 45.100 0.077 0.000 0.779 246 G HN 0.316 nan 8.290 nan 0.000 0.577 247 N N 1.118 119.862 118.700 0.073 0.000 2.244 247 N HA -0.039 4.703 4.740 0.003 0.000 0.183 247 N C 2.253 177.725 175.510 -0.064 0.000 1.016 247 N CA 1.265 54.368 53.050 0.088 0.000 0.866 247 N CB -0.779 37.798 38.487 0.150 0.000 0.980 247 N HN 0.349 nan 8.380 nan 0.000 0.430 248 G N 0.571 109.224 108.800 -0.244 0.000 2.394 248 G HA2 -0.134 3.828 3.960 0.003 0.000 0.215 248 G HA3 -0.134 3.828 3.960 0.003 0.000 0.215 248 G C 1.681 176.101 174.900 -0.800 0.000 1.165 248 G CA 0.504 45.046 45.100 -0.929 0.000 0.784 248 G HN 0.164 nan 8.290 nan 0.000 0.535 249 V N 0.758 120.517 119.914 -0.258 0.000 2.287 249 V HA -0.158 3.964 4.120 0.003 0.000 0.248 249 V C 2.720 178.844 176.094 0.049 0.000 1.053 249 V CA 1.757 64.084 62.300 0.045 0.000 1.027 249 V CB -0.451 31.481 31.823 0.181 0.000 0.646 249 V HN 0.342 nan 8.190 nan 0.000 0.447 250 L N 0.648 121.884 121.223 0.021 0.000 2.046 250 L HA -0.090 4.253 4.340 0.003 0.000 0.208 250 L C 2.466 179.390 176.870 0.090 0.000 1.077 250 L CA 2.306 57.192 54.840 0.077 0.000 0.747 250 L CB -1.005 41.122 42.059 0.113 0.000 0.896 250 L HN 0.238 nan 8.230 nan 0.000 0.432 251 A N -0.389 122.436 122.820 0.007 0.000 1.892 251 A HA -0.228 4.094 4.320 0.003 0.000 0.218 251 A C 2.278 179.886 177.584 0.040 0.000 1.188 251 A CA 2.226 54.277 52.037 0.023 0.000 0.631 251 A CB -0.998 17.902 19.000 -0.167 0.000 0.822 251 A HN 0.500 nan 8.150 nan 0.000 0.447 252 L N -0.719 120.433 121.223 -0.117 0.000 2.012 252 L HA -0.210 4.132 4.340 0.003 0.000 0.210 252 L C 2.601 179.516 176.870 0.075 0.000 1.073 252 L CA 1.346 56.131 54.840 -0.091 0.000 0.748 252 L CB -0.638 41.158 42.059 -0.437 0.000 0.891 252 L HN 0.395 nan 8.230 nan 0.000 0.431 253 L N -0.434 120.878 121.223 0.149 0.000 2.131 253 L HA -0.164 4.178 4.340 0.003 0.000 0.210 253 L C 2.481 179.410 176.870 0.099 0.000 1.092 253 L CA 1.755 56.690 54.840 0.157 0.000 0.759 253 L CB -0.863 41.283 42.059 0.145 0.000 0.903 253 L HN 0.471 nan 8.230 nan 0.000 0.435 254 T N -5.210 109.412 114.554 0.114 0.000 3.107 254 T HA 0.011 4.363 4.350 0.003 0.000 0.249 254 T C 0.240 174.830 174.700 -0.184 0.000 1.096 254 T CA 0.032 62.141 62.100 0.015 0.000 1.012 254 T CB -0.223 68.680 68.868 0.058 0.000 0.977 254 T HN 0.271 nan 8.240 nan 0.000 0.527 255 H N 0.806 119.873 119.070 -0.005 0.000 2.488 255 H HA 0.363 4.921 4.556 0.003 0.000 0.237 255 H C -2.282 173.030 175.328 -0.027 0.000 1.395 255 H CA -1.793 54.236 56.048 -0.032 0.000 1.491 255 H CB 1.375 31.083 29.762 -0.090 0.000 1.567 255 H HN 0.043 nan 8.280 nan 0.000 0.508 256 P HA -0.234 nan 4.420 nan 0.000 0.216 256 P C 1.484 178.804 177.300 0.032 0.000 1.150 256 P CA 1.563 64.687 63.100 0.040 0.000 0.843 256 P CB 0.419 32.131 31.700 0.021 0.000 0.787 257 D N -0.710 119.709 120.400 0.031 0.000 2.123 257 D HA -0.220 4.422 4.640 0.003 0.000 0.196 257 D C 1.645 177.945 176.300 0.001 0.000 0.992 257 D CA 1.413 55.422 54.000 0.016 0.000 0.833 257 D CB -0.917 39.893 40.800 0.017 0.000 0.954 257 D HN 0.155 nan 8.370 nan 0.000 0.455 258 Q N 0.365 120.168 119.800 0.005 0.000 2.123 258 Q HA -0.038 4.304 4.340 0.003 0.000 0.199 258 Q C 2.392 178.362 176.000 -0.049 0.000 0.966 258 Q CA 0.609 56.387 55.803 -0.042 0.000 0.845 258 Q CB -0.406 28.282 28.738 -0.082 0.000 0.907 258 Q HN 0.460 nan 8.270 nan 0.000 0.439 259 R N 1.202 121.682 120.500 -0.034 0.000 2.083 259 R HA -0.166 4.176 4.340 0.003 0.000 0.237 259 R C 2.214 178.502 176.300 -0.020 0.000 1.137 259 R CA 1.773 57.839 56.100 -0.057 0.000 0.951 259 R CB -0.019 30.284 30.300 0.005 0.000 0.851 259 R HN 0.075 nan 8.270 nan 0.000 0.434 260 K N 0.422 120.822 120.400 0.000 0.000 2.032 260 K HA -0.140 4.182 4.320 0.003 0.000 0.209 260 K C 2.195 178.791 176.600 -0.008 0.000 1.048 260 K CA 1.562 57.853 56.287 0.006 0.000 0.927 260 K CB -0.142 32.362 32.500 0.007 0.000 0.712 260 K HN 0.205 nan 8.250 nan 0.000 0.441 261 L N 0.716 121.926 121.223 -0.023 0.000 2.042 261 L HA -0.234 4.108 4.340 0.003 0.000 0.210 261 L C 2.508 179.357 176.870 -0.036 0.000 1.076 261 L CA 0.786 55.606 54.840 -0.033 0.000 0.749 261 L CB -0.459 41.571 42.059 -0.049 0.000 0.893 261 L HN 0.293 nan 8.230 nan 0.000 0.432 262 L N -0.057 121.138 121.223 -0.047 0.000 2.056 262 L HA -0.100 4.243 4.340 0.003 0.000 0.207 262 L C 2.637 179.501 176.870 -0.011 0.000 1.078 262 L CA 1.923 56.736 54.840 -0.044 0.000 0.749 262 L CB -0.681 41.332 42.059 -0.076 0.000 0.901 262 L HN 0.131 nan 8.230 nan 0.000 0.433 263 A N -0.741 122.082 122.820 0.004 0.000 1.908 263 A HA -0.247 4.075 4.320 0.003 0.000 0.218 263 A C 2.189 179.785 177.584 0.020 0.000 1.181 263 A CA 2.021 54.077 52.037 0.032 0.000 0.627 263 A CB -0.635 18.394 19.000 0.048 0.000 0.818 263 A HN 0.612 nan 8.150 nan 0.000 0.445 264 E N -1.234 118.971 120.200 0.008 0.000 2.285 264 E HA -0.071 4.281 4.350 0.003 0.000 0.194 264 E C -0.260 176.339 176.600 -0.001 0.000 0.997 264 E CA 0.798 57.200 56.400 0.003 0.000 0.845 264 E CB 0.178 29.877 29.700 -0.001 0.000 0.782 264 E HN 0.483 nan 8.360 nan 0.000 0.491 265 D N -0.853 119.543 120.400 -0.006 0.000 2.405 265 D HA 0.132 4.774 4.640 0.003 0.000 0.264 265 D C -2.257 174.038 176.300 -0.008 0.000 1.240 265 D CA -2.239 51.755 54.000 -0.009 0.000 0.893 265 D CB 1.032 41.822 40.800 -0.017 0.000 1.198 265 D HN -0.242 nan 8.370 nan 0.000 0.514 266 P HA -0.146 nan 4.420 nan 0.000 0.220 266 P C 1.334 178.637 177.300 0.005 0.000 1.144 266 P CA 0.935 64.043 63.100 0.012 0.000 0.800 266 P CB 0.169 31.885 31.700 0.027 0.000 0.772 267 S N -1.167 114.533 115.700 -0.001 0.000 2.507 267 S HA -0.067 4.405 4.470 0.003 0.000 0.235 267 S C 1.686 176.275 174.600 -0.019 0.000 0.988 267 S CA 0.584 58.781 58.200 -0.005 0.000 0.944 267 S CB -1.458 61.740 63.200 -0.004 0.000 0.762 267 S HN 0.125 nan 8.310 nan 0.000 0.526 268 L N 0.296 121.500 121.223 -0.033 0.000 2.549 268 L HA 0.062 4.404 4.340 0.003 0.000 0.229 268 L C 2.244 179.066 176.870 -0.081 0.000 1.158 268 L CA 0.216 55.019 54.840 -0.062 0.000 0.842 268 L CB -0.549 41.465 42.059 -0.076 0.000 0.952 268 L HN 0.325 nan 8.230 nan 0.000 0.452 269 I N -0.338 120.206 120.570 -0.044 0.000 2.151 269 I HA -0.334 3.838 4.170 0.003 0.000 0.243 269 I C 2.513 178.597 176.117 -0.055 0.000 1.080 269 I CA 1.668 62.949 61.300 -0.031 0.000 1.339 269 I CB -0.120 37.897 38.000 0.028 0.000 1.039 269 I HN 0.128 nan 8.210 nan 0.000 0.409 270 S N -0.528 115.152 115.700 -0.034 0.000 2.359 270 S HA -0.220 4.252 4.470 0.003 0.000 0.224 270 S C 2.167 176.721 174.600 -0.077 0.000 1.035 270 S CA 1.664 59.848 58.200 -0.026 0.000 1.018 270 S CB -0.656 62.546 63.200 0.003 0.000 0.876 270 S HN 0.593 nan 8.310 nan 0.000 0.448 271 S N 1.110 116.750 115.700 -0.100 0.000 2.382 271 S HA -0.036 4.436 4.470 0.003 0.000 0.228 271 S C 2.079 176.514 174.600 -0.274 0.000 1.027 271 S CA 1.071 59.189 58.200 -0.138 0.000 0.991 271 S CB -0.459 62.672 63.200 -0.116 0.000 0.823 271 S HN 0.536 nan 8.310 nan 0.000 0.469 272 A N 0.684 123.287 122.820 -0.360 0.000 1.902 272 A HA -0.026 4.296 4.320 0.003 0.000 0.217 272 A C 2.297 179.192 177.584 -1.148 0.000 1.181 272 A CA 1.744 53.332 52.037 -0.748 0.000 0.623 272 A CB -1.000 17.651 19.000 -0.582 0.000 0.818 272 A HN 0.427 nan 8.150 nan 0.000 0.443 273 V N 0.369 119.964 119.914 -0.532 0.000 2.407 273 V HA -0.213 3.909 4.120 0.003 0.000 0.248 273 V C 2.562 178.499 176.094 -0.262 0.000 1.055 273 V CA 2.116 64.279 62.300 -0.228 0.000 1.049 273 V CB -0.699 31.140 31.823 0.027 0.000 0.662 273 V HN 0.514 nan 8.190 nan 0.000 0.455 274 E N -0.054 119.996 120.200 -0.250 0.000 2.077 274 E HA -0.248 4.104 4.350 0.003 0.000 0.193 274 E C 2.192 178.597 176.600 -0.325 0.000 0.989 274 E CA 1.478 57.730 56.400 -0.247 0.000 0.800 274 E CB -0.205 29.458 29.700 -0.062 0.000 0.746 274 E HN 0.675 nan 8.360 nan 0.000 0.452 275 E N 0.277 120.274 120.200 -0.339 0.000 2.072 275 E HA -0.092 4.260 4.350 0.003 0.000 0.191 275 E C 1.937 178.456 176.600 -0.135 0.000 0.985 275 E CA 0.913 57.151 56.400 -0.270 0.000 0.801 275 E CB -0.410 29.070 29.700 -0.367 0.000 0.750 275 E HN 0.295 nan 8.360 nan 0.000 0.452 276 F N 0.224 120.100 119.950 -0.123 0.000 2.134 276 F HA -0.159 4.370 4.527 0.003 0.000 0.299 276 F C 2.188 177.936 175.800 -0.088 0.000 1.097 276 F CA 0.457 58.422 58.000 -0.060 0.000 1.264 276 F CB -0.291 38.672 39.000 -0.062 0.000 1.001 276 F HN 0.013 nan 8.300 nan 0.000 0.479 277 L N 0.025 121.174 121.223 -0.122 0.000 2.043 277 L HA -0.259 4.083 4.340 0.003 0.000 0.212 277 L C 2.684 179.347 176.870 -0.345 0.000 1.075 277 L CA 1.445 56.003 54.840 -0.471 0.000 0.752 277 L CB -0.590 40.724 42.059 -1.242 0.000 0.891 277 L HN 0.130 nan 8.230 nan 0.000 0.432 278 R N -0.384 119.980 120.500 -0.228 0.000 2.062 278 R HA -0.177 4.165 4.340 0.003 0.000 0.226 278 R C 2.439 178.873 176.300 0.223 0.000 1.125 278 R CA 1.452 57.670 56.100 0.198 0.000 0.966 278 R CB -0.337 30.146 30.300 0.306 0.000 0.861 278 R HN 0.214 nan 8.270 nan 0.000 0.433 279 F N 0.951 120.921 119.950 0.033 0.000 2.186 279 F HA -0.095 4.434 4.527 0.003 0.000 0.299 279 F C 0.277 176.084 175.800 0.012 0.000 1.090 279 F CA 1.360 59.361 58.000 0.002 0.000 1.307 279 F CB 0.228 39.218 39.000 -0.016 0.000 1.019 279 F HN -0.019 nan 8.300 nan 0.000 0.489 280 D N 0.163 120.662 120.400 0.165 0.000 2.621 280 D HA 0.168 4.810 4.640 0.003 0.000 0.274 280 D C -0.967 175.439 176.300 0.176 0.000 1.215 280 D CA -0.097 53.994 54.000 0.150 0.000 0.810 280 D CB 0.539 41.470 40.800 0.219 0.000 1.248 280 D HN -0.121 nan 8.370 nan 0.000 0.517 281 S N 2.240 118.040 115.700 0.167 0.000 2.546 281 S HA 0.068 4.540 4.470 0.003 0.000 0.290 281 S C -1.367 173.312 174.600 0.132 0.000 1.262 281 S CA -0.707 57.575 58.200 0.136 0.000 1.083 281 S CB 1.190 64.486 63.200 0.160 0.000 0.859 281 S HN 0.357 nan 8.310 nan 0.000 0.495 282 P HA -0.061 nan 4.420 nan 0.000 0.215 282 P C 0.034 177.417 177.300 0.138 0.000 1.153 282 P CA 0.733 63.909 63.100 0.127 0.000 0.853 282 P CB 0.092 31.857 31.700 0.107 0.000 0.788 283 V N 0.967 120.957 119.914 0.126 0.000 2.353 283 V HA 0.067 4.189 4.120 0.003 0.000 0.264 283 V C 1.527 177.704 176.094 0.138 0.000 1.049 283 V CA 0.391 62.772 62.300 0.135 0.000 0.896 283 V CB 0.464 32.362 31.823 0.124 0.000 1.025 283 V HN 0.152 nan 8.190 nan 0.000 0.475 284 S N 3.902 119.701 115.700 0.165 0.000 2.388 284 S HA 0.084 4.556 4.470 0.003 0.000 0.223 284 S C 0.598 175.283 174.600 0.142 0.000 1.034 284 S CA 0.022 58.323 58.200 0.169 0.000 0.963 284 S CB 0.066 63.423 63.200 0.261 0.000 0.827 284 S HN 0.664 nan 8.310 nan 0.000 0.481 285 Q N 0.491 120.393 119.800 0.170 0.000 2.356 285 Q HA 0.772 5.114 4.340 0.003 0.000 0.270 285 Q C -0.792 175.257 176.000 0.082 0.000 1.058 285 Q CA -0.177 55.696 55.803 0.116 0.000 0.802 285 Q CB 1.964 30.795 28.738 0.154 0.000 1.303 285 Q HN 0.466 nan 8.270 nan 0.000 0.444 286 A N 3.313 126.157 122.820 0.040 0.000 2.425 286 A HA 0.530 4.852 4.320 0.003 0.000 0.242 286 A C -2.152 175.422 177.584 -0.018 0.000 1.077 286 A CA -0.982 51.081 52.037 0.043 0.000 0.781 286 A CB -0.418 18.604 19.000 0.036 0.000 1.020 286 A HN 0.495 nan 8.150 nan 0.000 0.494 287 P HA 0.094 nan 4.420 nan 0.000 0.266 287 P C -0.154 177.069 177.300 -0.127 0.000 1.193 287 P CA 0.154 63.225 63.100 -0.048 0.000 0.770 287 P CB 0.240 31.921 31.700 -0.032 0.000 0.836 288 I N 2.427 122.894 120.570 -0.170 0.000 2.872 288 I HA -0.047 4.125 4.170 0.003 0.000 0.291 288 I C 1.364 177.209 176.117 -0.453 0.000 1.216 288 I CA 0.788 61.891 61.300 -0.328 0.000 1.424 288 I CB 0.247 38.017 38.000 -0.384 0.000 1.351 288 I HN 0.274 nan 8.210 nan 0.000 0.592 289 R N 4.579 124.777 120.500 -0.503 0.000 2.873 289 R HA 0.645 4.987 4.340 0.003 0.000 0.264 289 R C -1.563 174.391 176.300 -0.577 0.000 1.026 289 R CA -0.674 55.187 56.100 -0.399 0.000 1.002 289 R CB 1.666 31.829 30.300 -0.229 0.000 1.174 289 R HN 0.295 nan 8.270 nan 0.000 0.488 290 F N -0.079 119.881 119.950 0.017 0.000 2.518 290 F HA 0.235 4.764 4.527 0.004 0.000 0.323 290 F C 0.354 176.132 175.800 -0.037 0.000 1.129 290 F CA -0.980 57.047 58.000 0.045 0.000 0.920 290 F CB 2.095 41.185 39.000 0.150 0.000 1.160 290 F HN 0.415 nan 8.300 nan 0.000 0.440 291 T N -0.394 114.201 114.554 0.068 0.000 2.817 291 T HA 0.375 4.727 4.350 0.003 0.000 0.295 291 T C 0.858 175.482 174.700 -0.128 0.000 0.958 291 T CA -0.181 61.888 62.100 -0.051 0.000 1.157 291 T CB 1.442 70.255 68.868 -0.091 0.000 0.898 291 T HN 0.772 nan 8.240 nan 0.000 0.536 292 A N 2.965 125.596 122.820 -0.314 0.000 2.081 292 A HA 0.276 4.598 4.320 0.003 0.000 0.214 292 A C 0.855 178.328 177.584 -0.185 0.000 1.158 292 A CA 0.258 51.966 52.037 -0.548 0.000 0.724 292 A CB -0.034 18.509 19.000 -0.762 0.000 0.826 292 A HN 0.890 nan 8.150 nan 0.000 0.463 293 E N -0.211 119.909 120.200 -0.134 0.000 2.433 293 E HA 0.274 4.627 4.350 0.003 0.000 0.278 293 E C -1.765 174.775 176.600 -0.099 0.000 0.976 293 E CA -1.095 55.254 56.400 -0.086 0.000 0.793 293 E CB 1.047 30.698 29.700 -0.080 0.000 1.311 293 E HN 0.143 nan 8.360 nan 0.000 0.460 294 D N 1.142 121.486 120.400 -0.093 0.000 2.458 294 D HA 0.172 4.815 4.640 0.003 0.000 0.243 294 D C -0.582 175.626 176.300 -0.154 0.000 1.146 294 D CA 0.458 54.385 54.000 -0.123 0.000 0.877 294 D CB 0.876 41.614 40.800 -0.103 0.000 1.176 294 D HN -0.019 nan 8.370 nan 0.000 0.461 295 V N 2.021 121.812 119.914 -0.206 0.000 2.789 295 V HA 0.394 4.516 4.120 0.003 0.000 0.311 295 V C 0.152 176.018 176.094 -0.379 0.000 1.073 295 V CA -0.771 61.356 62.300 -0.287 0.000 0.921 295 V CB 2.479 34.146 31.823 -0.261 0.000 1.009 295 V HN 0.486 nan 8.190 nan 0.000 0.426 296 T N 3.578 117.843 114.554 -0.482 0.000 2.797 296 T HA 0.688 5.040 4.350 0.003 0.000 0.279 296 T C -1.221 173.076 174.700 -0.672 0.000 0.991 296 T CA -0.199 61.652 62.100 -0.416 0.000 0.979 296 T CB 0.626 69.352 68.868 -0.237 0.000 0.943 296 T HN 0.470 nan 8.240 nan 0.000 0.444 297 Y N 0.647 120.900 120.300 -0.078 0.000 2.361 297 Y HA 0.355 4.907 4.550 0.003 0.000 0.337 297 Y C 0.986 176.875 175.900 -0.019 0.000 0.965 297 Y CA -0.998 57.073 58.100 -0.048 0.000 1.091 297 Y CB 1.799 40.225 38.460 -0.057 0.000 1.182 297 Y HN 0.785 nan 8.280 nan 0.000 0.450 298 S N 2.147 117.921 115.700 0.125 0.000 3.549 298 S HA -0.230 4.242 4.470 0.003 0.000 0.366 298 S C 1.305 175.941 174.600 0.060 0.000 1.012 298 S CA 1.216 59.470 58.200 0.089 0.000 1.141 298 S CB -1.537 61.727 63.200 0.106 0.000 0.910 298 S HN 1.633 nan 8.310 nan 0.000 0.471 299 G N -1.938 106.877 108.800 0.026 0.000 2.284 299 G HA2 -0.303 3.660 3.960 0.003 0.000 0.247 299 G HA3 -0.303 3.660 3.960 0.003 0.000 0.247 299 G C 0.112 175.016 174.900 0.007 0.000 1.012 299 G CA -0.080 45.027 45.100 0.011 0.000 0.618 299 G HN 1.309 nan 8.290 nan 0.000 0.521 300 V N 2.484 122.413 119.914 0.026 0.000 2.406 300 V HA 0.534 4.656 4.120 0.003 0.000 0.272 300 V C 0.619 176.682 176.094 -0.053 0.000 1.043 300 V CA 0.207 62.526 62.300 0.032 0.000 0.915 300 V CB 1.361 33.251 31.823 0.110 0.000 0.988 300 V HN 0.285 nan 8.190 nan 0.000 0.466 301 T N 6.846 121.350 114.554 -0.083 0.000 2.743 301 T HA 0.522 4.874 4.350 0.003 0.000 0.293 301 T C 0.057 174.586 174.700 -0.286 0.000 0.945 301 T CA -0.048 61.955 62.100 -0.162 0.000 1.030 301 T CB 0.385 69.186 68.868 -0.112 0.000 0.912 301 T HN 0.392 nan 8.240 nan 0.000 0.483 302 I N 6.268 126.580 120.570 -0.431 0.000 2.312 302 I HA 0.269 4.441 4.170 0.003 0.000 0.291 302 I C -2.123 173.763 176.117 -0.385 0.000 1.031 302 I CA -2.568 58.294 61.300 -0.729 0.000 1.293 302 I CB 1.161 38.624 38.000 -0.895 0.000 1.403 302 I HN 0.293 nan 8.210 nan 0.000 0.484 303 P HA 0.077 nan 4.420 nan 0.000 0.272 303 P C -0.331 176.913 177.300 -0.093 0.000 1.230 303 P CA -0.327 62.708 63.100 -0.109 0.000 0.788 303 P CB 0.570 32.263 31.700 -0.012 0.000 0.949 304 A N 1.708 124.496 122.820 -0.053 0.000 2.520 304 A HA 0.402 4.724 4.320 0.003 0.000 0.235 304 A C 1.451 179.054 177.584 0.031 0.000 1.065 304 A CA 0.844 52.867 52.037 -0.023 0.000 0.764 304 A CB -1.493 17.502 19.000 -0.008 0.000 1.002 304 A HN 0.892 nan 8.150 nan 0.000 0.502 305 G N 0.480 109.325 108.800 0.076 0.000 2.157 305 G HA2 -0.152 3.810 3.960 0.003 0.000 0.248 305 G HA3 -0.152 3.810 3.960 0.003 0.000 0.248 305 G C -0.036 174.968 174.900 0.172 0.000 0.979 305 G CA 0.358 45.538 45.100 0.134 0.000 0.650 305 G HN 0.804 nan 8.290 nan 0.000 0.529 306 E N -0.125 120.162 120.200 0.145 0.000 2.250 306 E HA 0.653 5.005 4.350 0.003 0.000 0.269 306 E C 0.580 177.287 176.600 0.177 0.000 1.018 306 E CA -0.536 55.980 56.400 0.194 0.000 0.873 306 E CB 0.932 30.712 29.700 0.133 0.000 1.134 306 E HN 0.387 nan 8.360 nan 0.000 0.403 307 M N 1.197 120.915 119.600 0.197 0.000 2.300 307 M HA 0.370 4.852 4.480 0.003 0.000 0.348 307 M C -0.727 175.596 176.300 0.039 0.000 1.151 307 M CA -0.825 54.469 55.300 -0.009 0.000 1.046 307 M CB 1.557 34.144 32.600 -0.021 0.000 1.647 307 M HN 0.039 nan 8.290 nan 0.000 0.451 308 V N 4.207 124.040 119.914 -0.134 0.000 2.569 308 V HA 0.454 4.576 4.120 0.003 0.000 0.301 308 V C -0.444 175.547 176.094 -0.171 0.000 1.044 308 V CA -0.627 61.623 62.300 -0.083 0.000 0.874 308 V CB 1.914 33.659 31.823 -0.130 0.000 1.002 308 V HN 0.901 nan 8.190 nan 0.000 0.424 309 M N 5.079 124.609 119.600 -0.117 0.000 2.264 309 M HA 0.539 5.021 4.480 0.003 0.000 0.352 309 M C -0.790 175.413 176.300 -0.163 0.000 1.173 309 M CA -0.402 54.816 55.300 -0.136 0.000 1.075 309 M CB 1.537 34.089 32.600 -0.080 0.000 1.621 309 M HN 0.431 nan 8.290 nan 0.000 0.457 310 L N 2.458 123.541 121.223 -0.234 0.000 2.265 310 L HA 0.377 4.719 4.340 0.003 0.000 0.288 310 L C 0.807 177.586 176.870 -0.152 0.000 1.058 310 L CA -0.547 54.115 54.840 -0.296 0.000 0.809 310 L CB 0.902 42.600 42.059 -0.602 0.000 1.179 310 L HN 0.831 nan 8.230 nan 0.000 0.429 311 G N 4.483 113.204 108.800 -0.131 0.000 2.621 311 G HA2 0.328 4.290 3.960 0.003 0.000 0.306 311 G HA3 0.328 4.290 3.960 0.003 0.000 0.306 311 G C 0.847 175.662 174.900 -0.141 0.000 0.893 311 G CA -0.401 44.622 45.100 -0.127 0.000 1.486 311 G HN 0.656 nan 8.290 nan 0.000 0.477 312 L N 2.335 123.517 121.223 -0.068 0.000 2.068 312 L HA -0.017 4.325 4.340 0.003 0.000 0.204 312 L C 3.137 179.993 176.870 -0.023 0.000 1.076 312 L CA 1.149 55.988 54.840 -0.001 0.000 0.753 312 L CB -0.514 41.595 42.059 0.084 0.000 0.910 312 L HN 0.496 nan 8.230 nan 0.000 0.439 313 A N 0.559 123.331 122.820 -0.080 0.000 1.940 313 A HA -0.194 4.128 4.320 0.003 0.000 0.219 313 A C 2.538 180.013 177.584 -0.183 0.000 1.176 313 A CA 2.004 54.005 52.037 -0.060 0.000 0.631 313 A CB -0.685 18.314 19.000 -0.000 0.000 0.814 313 A HN 0.416 nan 8.150 nan 0.000 0.446 314 A N -0.231 122.247 122.820 -0.571 0.000 1.855 314 A HA 0.212 4.534 4.320 0.003 0.000 0.215 314 A C 2.549 180.093 177.584 -0.066 0.000 1.191 314 A CA 2.054 53.841 52.037 -0.417 0.000 0.613 314 A CB -1.164 17.489 19.000 -0.577 0.000 0.829 314 A HN 1.110 nan 8.150 nan 0.000 0.442 315 A N 0.176 122.972 122.820 -0.041 0.000 1.940 315 A HA -0.204 4.119 4.320 0.003 0.000 0.219 315 A C 1.810 179.531 177.584 0.229 0.000 1.176 315 A CA 1.814 53.904 52.037 0.088 0.000 0.631 315 A CB -0.670 18.334 19.000 0.005 0.000 0.814 315 A HN 0.527 nan 8.150 nan 0.000 0.446 316 N N -0.408 118.415 118.700 0.206 0.000 2.520 316 N HA -0.047 4.695 4.740 0.003 0.000 0.185 316 N C 1.006 176.755 175.510 0.400 0.000 1.068 316 N CA 0.615 53.888 53.050 0.371 0.000 0.911 316 N CB -0.158 38.540 38.487 0.353 0.000 0.961 316 N HN 0.495 nan 8.380 nan 0.000 0.446 317 R N 0.305 120.948 120.500 0.237 0.000 2.586 317 R HA 0.099 4.441 4.340 0.003 0.000 0.336 317 R C -0.495 175.899 176.300 0.156 0.000 1.060 317 R CA -0.308 55.885 56.100 0.155 0.000 1.079 317 R CB 0.350 30.681 30.300 0.052 0.000 1.317 317 R HN 0.018 nan 8.270 nan 0.000 0.568 318 D N 0.641 121.183 120.400 0.237 0.000 2.339 318 D HA 0.086 4.728 4.640 0.003 0.000 0.256 318 D C 0.915 177.307 176.300 0.154 0.000 1.214 318 D CA -0.027 54.092 54.000 0.199 0.000 0.877 318 D CB 1.480 42.432 40.800 0.254 0.000 1.111 318 D HN 0.197 nan 8.370 nan 0.000 0.478 319 A N 4.158 127.031 122.820 0.089 0.000 2.067 319 A HA -0.152 4.170 4.320 0.003 0.000 0.219 319 A C 1.610 179.218 177.584 0.040 0.000 1.158 319 A CA 0.849 52.909 52.037 0.037 0.000 0.661 319 A CB -0.027 18.989 19.000 0.026 0.000 0.801 319 A HN 0.537 nan 8.150 nan 0.000 0.452 320 D N -2.066 118.387 120.400 0.088 0.000 2.310 320 D HA -0.112 4.530 4.640 0.003 0.000 0.212 320 D C 1.312 177.689 176.300 0.127 0.000 0.965 320 D CA 0.899 54.958 54.000 0.100 0.000 0.879 320 D CB -0.100 40.775 40.800 0.124 0.000 0.921 320 D HN 0.824 nan 8.370 nan 0.000 0.510 321 W N -0.031 121.191 121.300 -0.130 0.000 2.922 321 W HA 0.281 4.943 4.660 0.003 0.000 0.260 321 W C -0.067 176.312 176.519 -0.234 0.000 1.088 321 W CA -0.119 57.050 57.345 -0.294 0.000 1.694 321 W CB 0.124 29.135 29.460 -0.749 0.000 1.064 321 W HN -0.275 nan 8.180 nan 0.000 0.611 322 M N 2.852 122.167 119.600 -0.475 0.000 2.114 322 M HA 0.458 4.940 4.480 0.003 0.000 0.332 322 M C -2.721 173.390 176.300 -0.315 0.000 1.014 322 M CA -2.968 51.906 55.300 -0.711 0.000 0.956 322 M CB 1.319 33.439 32.600 -0.799 0.000 1.551 322 M HN -0.291 nan 8.290 nan 0.000 0.427 323 P HA 0.097 nan 4.420 nan 0.000 0.268 323 P C -0.990 176.239 177.300 -0.119 0.000 1.204 323 P CA 0.379 63.387 63.100 -0.154 0.000 0.768 323 P CB 0.179 31.794 31.700 -0.142 0.000 0.842 324 E N 2.243 122.402 120.200 -0.069 0.000 2.222 324 E HA -0.187 4.165 4.350 0.003 0.000 0.189 324 E C -1.376 175.205 176.600 -0.031 0.000 1.415 324 E CA -0.147 56.230 56.400 -0.038 0.000 0.689 324 E CB -0.783 28.896 29.700 -0.035 0.000 1.107 324 E HN 0.518 nan 8.360 nan 0.000 0.350 325 P HA -0.136 nan 4.420 nan 0.000 0.221 325 P C 0.602 177.925 177.300 0.040 0.000 1.150 325 P CA 0.976 64.072 63.100 -0.007 0.000 0.800 325 P CB 0.288 31.994 31.700 0.010 0.000 0.787 326 D N -0.721 119.703 120.400 0.039 0.000 2.355 326 D HA -0.017 4.625 4.640 0.003 0.000 0.218 326 D C 1.085 177.514 176.300 0.215 0.000 1.004 326 D CA 0.441 54.479 54.000 0.063 0.000 0.880 326 D CB -0.269 40.547 40.800 0.028 0.000 0.911 326 D HN 0.204 nan 8.370 nan 0.000 0.528 327 R N 1.252 121.840 120.500 0.147 0.000 2.308 327 R HA 0.240 4.582 4.340 0.003 0.000 0.305 327 R C -0.382 175.941 176.300 0.039 0.000 1.053 327 R CA -0.471 55.696 56.100 0.112 0.000 0.957 327 R CB 0.650 30.968 30.300 0.031 0.000 1.022 327 R HN 0.023 nan 8.270 nan 0.000 0.461 328 L N 4.616 125.725 121.223 -0.190 0.000 2.315 328 L HA 0.190 4.532 4.340 0.003 0.000 0.283 328 L C -0.986 175.681 176.870 -0.339 0.000 1.089 328 L CA 0.291 54.768 54.840 -0.605 0.000 0.833 328 L CB 0.855 42.097 42.059 -1.362 0.000 1.170 328 L HN 0.721 nan 8.230 nan 0.000 0.442 329 D N 4.998 125.238 120.400 -0.266 0.000 2.358 329 D HA 0.144 4.786 4.640 0.003 0.000 0.253 329 D C 0.835 177.004 176.300 -0.219 0.000 1.288 329 D CA -0.493 53.389 54.000 -0.198 0.000 0.950 329 D CB 0.912 41.629 40.800 -0.138 0.000 1.197 329 D HN 0.540 nan 8.370 nan 0.000 0.550 330 I N 0.985 121.410 120.570 -0.243 0.000 3.334 330 I HA 0.033 4.206 4.170 0.003 0.000 0.282 330 I C 1.184 177.175 176.117 -0.210 0.000 1.313 330 I CA 0.861 61.987 61.300 -0.289 0.000 1.396 330 I CB -0.297 37.511 38.000 -0.319 0.000 1.054 330 I HN 0.244 nan 8.210 nan 0.000 0.495 331 T N -2.315 112.146 114.554 -0.156 0.000 3.022 331 T HA 0.244 4.596 4.350 0.003 0.000 0.250 331 T C 1.040 175.678 174.700 -0.104 0.000 1.060 331 T CA -0.393 61.638 62.100 -0.115 0.000 1.013 331 T CB -0.159 68.655 68.868 -0.089 0.000 0.982 331 T HN 0.310 nan 8.240 nan 0.000 0.508 332 R N 2.315 122.743 120.500 -0.120 0.000 2.619 332 R HA 0.043 4.386 4.340 0.003 0.000 0.268 332 R C -0.398 175.852 176.300 -0.082 0.000 0.990 332 R CA 0.276 56.311 56.100 -0.109 0.000 1.092 332 R CB 0.100 30.322 30.300 -0.130 0.000 0.935 332 R HN 0.249 nan 8.270 nan 0.000 0.415 333 D N 2.131 122.491 120.400 -0.067 0.000 2.557 333 D HA 0.238 4.880 4.640 0.003 0.000 0.236 333 D C -0.766 175.519 176.300 -0.024 0.000 1.154 333 D CA -0.228 53.750 54.000 -0.036 0.000 0.985 333 D CB 0.367 41.149 40.800 -0.030 0.000 1.010 333 D HN 0.530 nan 8.370 nan 0.000 0.516 334 A N 1.771 124.591 122.820 0.000 0.000 2.286 334 A HA 0.671 4.993 4.320 0.003 0.000 0.286 334 A C 0.179 177.843 177.584 0.133 0.000 1.097 334 A CA -0.475 51.584 52.037 0.037 0.000 0.821 334 A CB 0.736 19.772 19.000 0.060 0.000 1.076 334 A HN 0.498 nan 8.150 nan 0.000 0.490 335 S N -0.223 115.595 115.700 0.197 0.000 2.548 335 S HA 0.846 5.318 4.470 0.003 0.000 0.286 335 S C 0.358 175.184 174.600 0.377 0.000 1.098 335 S CA 0.202 58.540 58.200 0.230 0.000 0.930 335 S CB 1.184 64.480 63.200 0.160 0.000 1.070 335 S HN 2.751 nan 8.310 nan 0.000 0.480 336 G N 1.070 110.022 108.800 0.253 0.000 2.498 336 G HA2 0.363 4.325 3.960 0.003 0.000 0.251 336 G HA3 0.363 4.325 3.960 0.003 0.000 0.251 336 G C 0.657 175.612 174.900 0.092 0.000 1.170 336 G CA 0.263 45.457 45.100 0.157 0.000 0.944 336 G HN 2.873 nan 8.290 nan 0.000 0.567 337 G N -3.272 105.456 108.800 -0.121 0.000 2.699 337 G HA2 0.390 4.352 3.960 0.003 0.000 0.686 337 G HA3 0.390 4.352 3.960 0.003 0.000 0.686 337 G C 0.551 175.083 174.900 -0.613 0.000 1.301 337 G CA 1.182 46.043 45.100 -0.398 0.000 0.816 337 G HN 2.416 nan 8.290 nan 0.000 0.595 338 V N -2.266 117.305 119.914 -0.570 0.000 3.252 338 V HA 0.439 4.561 4.120 0.003 0.000 0.320 338 V C 1.874 177.759 176.094 -0.348 0.000 1.459 338 V CA 1.231 63.264 62.300 -0.445 0.000 1.095 338 V CB -0.865 30.829 31.823 -0.215 0.000 0.997 338 V HN 1.455 nan 8.190 nan 0.000 0.469 339 F N -0.350 119.540 119.950 -0.100 0.000 2.269 339 F HA 0.251 4.780 4.527 0.003 0.000 0.301 339 F C 1.543 177.137 175.800 -0.344 0.000 1.082 339 F CA 0.969 58.838 58.000 -0.218 0.000 1.360 339 F CB -1.064 37.748 39.000 -0.312 0.000 1.041 339 F HN 0.182 nan 8.300 nan 0.000 0.512 340 F N 0.951 120.799 119.950 -0.169 0.000 2.647 340 F HA 0.527 5.056 4.527 0.004 0.000 0.300 340 F C 1.485 176.925 175.800 -0.599 0.000 1.106 340 F CA -0.029 57.739 58.000 -0.387 0.000 1.313 340 F CB 0.034 38.620 39.000 -0.689 0.000 1.007 340 F HN 0.288 nan 8.300 nan 0.000 0.536 341 G N 0.867 109.457 108.800 -0.349 0.000 2.593 341 G HA2 -0.228 3.734 3.960 0.003 0.000 0.237 341 G HA3 -0.228 3.734 3.960 0.003 0.000 0.237 341 G C -1.278 173.242 174.900 -0.633 0.000 1.312 341 G CA -0.234 44.361 45.100 -0.841 0.000 0.896 341 G HN 0.583 nan 8.290 nan 0.000 0.574 342 H N -0.895 117.655 119.070 -0.868 0.000 3.153 342 H HA 0.662 5.220 4.556 0.004 0.000 0.323 342 H C 0.503 175.745 175.328 -0.143 0.000 1.096 342 H CA 1.919 57.745 56.048 -0.370 0.000 1.385 342 H CB 0.925 30.392 29.762 -0.491 0.000 2.027 342 H HN 2.667 nan 8.280 nan 0.000 0.499 343 G N 2.713 111.243 108.800 -0.449 0.000 2.484 343 G HA2 -0.238 3.724 3.960 0.003 0.000 0.225 343 G HA3 -0.238 3.724 3.960 0.003 0.000 0.225 343 G C 1.268 176.115 174.900 -0.088 0.000 1.250 343 G CA 0.270 45.176 45.100 -0.323 0.000 0.926 343 G HN 1.296 nan 8.290 nan 0.000 0.581 344 I N -2.384 118.137 120.570 -0.081 0.000 2.676 344 I HA 0.122 4.295 4.170 0.003 0.000 0.259 344 I C 1.639 177.676 176.117 -0.134 0.000 1.194 344 I CA 1.858 63.092 61.300 -0.109 0.000 1.473 344 I CB -0.262 37.619 38.000 -0.199 0.000 1.096 344 I HN 0.469 nan 8.210 nan 0.000 0.443 345 H N 0.670 119.747 119.070 0.012 0.000 2.517 345 H HA 0.209 4.767 4.556 0.003 0.000 0.282 345 H C -0.020 175.355 175.328 0.077 0.000 1.023 345 H CA -0.535 55.546 56.048 0.055 0.000 1.169 345 H CB -0.140 29.628 29.762 0.009 0.000 1.454 345 H HN 0.333 nan 8.280 nan 0.000 0.556 346 F N 2.134 122.090 119.950 0.011 0.000 2.623 346 F HA -0.090 4.439 4.527 0.003 0.000 0.383 346 F C 0.954 176.746 175.800 -0.013 0.000 1.077 346 F CA -0.382 57.593 58.000 -0.041 0.000 1.268 346 F CB 0.348 39.302 39.000 -0.077 0.000 1.053 346 F HN 0.154 nan 8.300 nan 0.000 0.571 347 C N 8.842 127.757 119.300 -0.641 0.000 1.912 347 C HA -0.142 4.320 4.460 0.003 0.000 0.414 347 C C 1.814 176.611 174.990 -0.322 0.000 1.545 347 C CA 0.009 58.755 59.018 -0.454 0.000 1.468 347 C CB -1.875 25.531 27.740 -0.558 0.000 2.697 347 C HN 1.030 nan 8.230 nan 0.000 0.597 348 L N 5.958 127.053 121.223 -0.213 0.000 2.191 348 L HA 0.148 4.490 4.340 0.003 0.000 0.212 348 L C 2.138 178.838 176.870 -0.283 0.000 1.103 348 L CA 2.414 57.109 54.840 -0.242 0.000 0.769 348 L CB -0.383 41.445 42.059 -0.386 0.000 0.908 348 L HN 0.879 nan 8.230 nan 0.000 0.438 349 G N -2.144 106.482 108.800 -0.289 0.000 3.371 349 G HA2 0.263 4.225 3.960 0.003 0.000 0.248 349 G HA3 0.263 4.225 3.960 0.003 0.000 0.248 349 G C 1.379 176.148 174.900 -0.219 0.000 1.161 349 G CA 0.383 45.382 45.100 -0.169 0.000 0.796 349 G HN 0.509 nan 8.290 nan 0.000 0.539 350 A N 0.711 123.275 122.820 -0.426 0.000 1.883 350 A HA -0.166 4.157 4.320 0.003 0.000 0.217 350 A C 2.230 179.597 177.584 -0.361 0.000 1.186 350 A CA 2.177 53.699 52.037 -0.858 0.000 0.624 350 A CB -0.310 18.180 19.000 -0.850 0.000 0.822 350 A HN 0.412 nan 8.150 nan 0.000 0.444 351 Q N -0.787 118.945 119.800 -0.114 0.000 2.084 351 Q HA -0.125 4.218 4.340 0.003 0.000 0.202 351 Q C 1.873 177.891 176.000 0.031 0.000 0.978 351 Q CA 1.681 57.484 55.803 0.001 0.000 0.844 351 Q CB -0.529 28.233 28.738 0.039 0.000 0.898 351 Q HN 0.502 nan 8.270 nan 0.000 0.426 352 L N 0.260 121.511 121.223 0.048 0.000 1.990 352 L HA -0.151 4.191 4.340 0.003 0.000 0.213 352 L C 2.126 179.036 176.870 0.067 0.000 1.072 352 L CA 2.512 57.395 54.840 0.071 0.000 0.755 352 L CB -1.336 40.803 42.059 0.132 0.000 0.889 352 L HN 0.270 nan 8.230 nan 0.000 0.432 353 A N -0.581 122.279 122.820 0.066 0.000 1.883 353 A HA -0.272 4.050 4.320 0.003 0.000 0.217 353 A C 2.420 180.111 177.584 0.178 0.000 1.186 353 A CA 2.126 54.249 52.037 0.144 0.000 0.624 353 A CB -0.616 18.540 19.000 0.261 0.000 0.822 353 A HN 0.529 nan 8.150 nan 0.000 0.444 354 R N -1.307 119.302 120.500 0.182 0.000 2.081 354 R HA -0.101 4.241 4.340 0.003 0.000 0.235 354 R C 2.008 178.380 176.300 0.120 0.000 1.131 354 R CA 1.354 57.563 56.100 0.182 0.000 0.960 354 R CB -0.471 29.936 30.300 0.178 0.000 0.856 354 R HN 0.396 nan 8.270 nan 0.000 0.436 355 L N 1.266 122.543 121.223 0.090 0.000 1.994 355 L HA -0.148 4.194 4.340 0.003 0.000 0.208 355 L C 2.009 178.917 176.870 0.064 0.000 1.071 355 L CA 1.751 56.631 54.840 0.067 0.000 0.745 355 L CB -0.779 41.310 42.059 0.050 0.000 0.892 355 L HN 0.167 nan 8.230 nan 0.000 0.431 356 E N -1.042 119.193 120.200 0.058 0.000 2.097 356 E HA -0.215 4.137 4.350 0.003 0.000 0.196 356 E C 2.085 178.719 176.600 0.057 0.000 1.000 356 E CA 1.157 57.580 56.400 0.038 0.000 0.804 356 E CB -0.434 29.281 29.700 0.024 0.000 0.740 356 E HN 0.598 nan 8.360 nan 0.000 0.454 357 G N 0.654 109.510 108.800 0.095 0.000 2.402 357 G HA2 -0.245 3.717 3.960 0.003 0.000 0.216 357 G HA3 -0.245 3.717 3.960 0.003 0.000 0.216 357 G C 1.515 176.501 174.900 0.143 0.000 1.162 357 G CA 0.466 45.642 45.100 0.126 0.000 0.777 357 G HN 0.082 nan 8.290 nan 0.000 0.539 358 R N -0.251 120.322 120.500 0.121 0.000 2.073 358 R HA -0.000 4.342 4.340 0.003 0.000 0.234 358 R C 2.705 179.074 176.300 0.114 0.000 1.134 358 R CA 1.207 57.375 56.100 0.112 0.000 0.952 358 R CB -0.619 29.730 30.300 0.082 0.000 0.850 358 R HN 0.264 nan 8.270 nan 0.000 0.433 359 V N 1.096 121.067 119.914 0.095 0.000 2.237 359 V HA -0.281 3.841 4.120 0.003 0.000 0.245 359 V C 2.450 178.625 176.094 0.136 0.000 1.046 359 V CA 2.084 64.441 62.300 0.095 0.000 1.007 359 V CB -0.904 30.956 31.823 0.063 0.000 0.638 359 V HN 0.454 nan 8.190 nan 0.000 0.445 360 A N -0.013 122.878 122.820 0.117 0.000 1.873 360 A HA -0.226 4.096 4.320 0.003 0.000 0.218 360 A C 2.178 179.964 177.584 0.338 0.000 1.193 360 A CA 2.421 54.556 52.037 0.165 0.000 0.629 360 A CB -0.639 18.362 19.000 0.002 0.000 0.826 360 A HN 0.531 nan 8.150 nan 0.000 0.447 361 I N -0.753 119.982 120.570 0.275 0.000 2.233 361 I HA -0.116 4.057 4.170 0.003 0.000 0.243 361 I C 2.754 179.075 176.117 0.339 0.000 1.093 361 I CA 0.990 62.488 61.300 0.329 0.000 1.380 361 I CB -0.814 37.339 38.000 0.254 0.000 1.067 361 I HN 0.397 nan 8.210 nan 0.000 0.413 362 G N 1.067 110.008 108.800 0.234 0.000 2.446 362 G HA2 -0.203 3.759 3.960 0.003 0.000 0.217 362 G HA3 -0.203 3.759 3.960 0.003 0.000 0.217 362 G C 1.836 176.852 174.900 0.194 0.000 1.168 362 G CA 0.400 45.613 45.100 0.187 0.000 0.771 362 G HN 0.195 nan 8.290 nan 0.000 0.551 363 R N -0.368 120.242 120.500 0.183 0.000 2.075 363 R HA 0.030 4.372 4.340 0.003 0.000 0.232 363 R C 2.506 178.878 176.300 0.119 0.000 1.126 363 R CA 0.966 57.154 56.100 0.147 0.000 0.963 363 R CB -0.991 29.398 30.300 0.149 0.000 0.858 363 R HN 0.417 nan 8.270 nan 0.000 0.435 364 L N 0.531 121.838 121.223 0.141 0.000 1.990 364 L HA -0.163 4.179 4.340 0.003 0.000 0.213 364 L C 1.997 178.793 176.870 -0.123 0.000 1.072 364 L CA 1.835 56.630 54.840 -0.075 0.000 0.755 364 L CB -0.695 41.277 42.059 -0.144 0.000 0.889 364 L HN -0.031 nan 8.230 nan 0.000 0.432 365 F N -0.319 119.627 119.950 -0.005 0.000 2.259 365 F HA -0.026 4.503 4.527 0.004 0.000 0.298 365 F C 2.423 178.223 175.800 -0.001 0.000 1.088 365 F CA 1.064 59.062 58.000 -0.003 0.000 1.358 365 F CB -1.043 37.969 39.000 0.020 0.000 1.040 365 F HN 0.220 nan 8.300 nan 0.000 0.505 366 A N -0.031 122.887 122.820 0.163 0.000 1.845 366 A HA -0.278 4.044 4.320 0.003 0.000 0.215 366 A C 1.898 179.501 177.584 0.032 0.000 1.195 366 A CA 2.271 54.361 52.037 0.089 0.000 0.616 366 A CB -1.144 17.905 19.000 0.081 0.000 0.832 366 A HN 0.347 nan 8.150 nan 0.000 0.443 367 D N -1.349 119.052 120.400 0.001 0.000 2.178 367 D HA -0.072 4.570 4.640 0.003 0.000 0.202 367 D C 0.663 176.921 176.300 -0.070 0.000 0.974 367 D CA 0.786 54.766 54.000 -0.034 0.000 0.841 367 D CB 0.132 40.904 40.800 -0.048 0.000 0.953 367 D HN 0.137 nan 8.370 nan 0.000 0.478 368 R N -0.125 120.305 120.500 -0.117 0.000 2.651 368 R HA 0.227 4.569 4.340 0.003 0.000 0.282 368 R C -2.187 174.017 176.300 -0.159 0.000 1.565 368 R CA -1.475 54.529 56.100 -0.160 0.000 1.661 368 R CB 0.987 31.140 30.300 -0.245 0.000 1.189 368 R HN 0.172 nan 8.270 nan 0.000 0.621 369 P HA -0.005 nan 4.420 nan 0.000 0.233 369 P C 0.241 177.525 177.300 -0.026 0.000 1.167 369 P CA 0.783 63.874 63.100 -0.015 0.000 0.770 369 P CB 0.435 32.143 31.700 0.013 0.000 0.837 370 E N -0.797 119.366 120.200 -0.062 0.000 2.451 370 E HA 0.100 4.452 4.350 0.003 0.000 0.194 370 E C 0.092 176.640 176.600 -0.087 0.000 1.027 370 E CA -0.597 55.771 56.400 -0.053 0.000 0.914 370 E CB -0.167 29.508 29.700 -0.042 0.000 1.054 370 E HN 0.099 nan 8.360 nan 0.000 0.461 371 L N 1.727 122.855 121.223 -0.159 0.000 2.578 371 L HA 0.089 4.431 4.340 0.003 0.000 0.279 371 L C -0.402 176.400 176.870 -0.115 0.000 1.227 371 L CA 0.534 55.249 54.840 -0.209 0.000 0.900 371 L CB 0.328 42.123 42.059 -0.440 0.000 1.144 371 L HN 0.024 nan 8.230 nan 0.000 0.496 372 A N 5.252 128.020 122.820 -0.088 0.000 2.572 372 A HA 0.561 4.883 4.320 0.003 0.000 0.295 372 A C -0.977 176.584 177.584 -0.038 0.000 1.072 372 A CA -0.844 51.169 52.037 -0.040 0.000 0.691 372 A CB 0.747 19.731 19.000 -0.026 0.000 1.291 372 A HN 0.701 nan 8.150 nan 0.000 0.404 373 L N 0.980 122.194 121.223 -0.015 0.000 2.485 373 L HA 0.236 4.578 4.340 0.003 0.000 0.275 373 L C 1.369 178.228 176.870 -0.019 0.000 1.207 373 L CA 0.371 55.202 54.840 -0.014 0.000 0.855 373 L CB 1.161 43.221 42.059 0.002 0.000 1.114 373 L HN 0.944 nan 8.230 nan 0.000 0.485 374 A N 3.790 126.596 122.820 -0.023 0.000 2.387 374 A HA 0.405 4.727 4.320 0.003 0.000 0.234 374 A C 0.148 177.722 177.584 -0.018 0.000 1.253 374 A CA 0.032 52.056 52.037 -0.023 0.000 0.894 374 A CB 0.058 19.041 19.000 -0.029 0.000 0.963 374 A HN 0.488 nan 8.150 nan 0.000 0.508 375 V N -4.639 115.267 119.914 -0.014 0.000 3.167 375 V HA 0.903 5.025 4.120 0.003 0.000 0.310 375 V C 0.406 176.499 176.094 -0.001 0.000 1.207 375 V CA -0.592 61.703 62.300 -0.009 0.000 1.059 375 V CB 0.758 32.573 31.823 -0.012 0.000 1.079 375 V HN 0.375 nan 8.190 nan 0.000 0.446 376 G N -0.126 108.676 108.800 0.004 0.000 2.442 376 G HA2 0.367 4.329 3.960 0.003 0.000 0.249 376 G HA3 0.367 4.329 3.960 0.003 0.000 0.249 376 G C 0.588 175.500 174.900 0.020 0.000 1.263 376 G CA -0.275 44.832 45.100 0.011 0.000 0.846 376 G HN 1.038 nan 8.290 nan 0.000 0.555 377 L N 1.281 122.521 121.223 0.029 0.000 2.064 377 L HA -0.241 4.101 4.340 0.003 0.000 0.216 377 L C 2.572 179.480 176.870 0.064 0.000 1.077 377 L CA 2.675 57.544 54.840 0.049 0.000 0.766 377 L CB -0.236 41.854 42.059 0.051 0.000 0.890 377 L HN 0.868 nan 8.230 nan 0.000 0.435 378 D N -1.872 118.559 120.400 0.051 0.000 2.348 378 D HA -0.178 4.464 4.640 0.003 0.000 0.216 378 D C 1.337 177.671 176.300 0.056 0.000 0.970 378 D CA 0.655 54.689 54.000 0.057 0.000 0.889 378 D CB -0.072 40.752 40.800 0.040 0.000 0.912 378 D HN 0.494 nan 8.370 nan 0.000 0.524 379 E N 0.180 120.404 120.200 0.040 0.000 2.481 379 E HA 0.153 4.505 4.350 0.003 0.000 0.198 379 E C 0.287 176.896 176.600 0.016 0.000 1.027 379 E CA -0.310 56.107 56.400 0.028 0.000 0.900 379 E CB 0.465 30.173 29.700 0.013 0.000 0.993 379 E HN 0.330 nan 8.360 nan 0.000 0.482 380 L N 2.096 123.327 121.223 0.014 0.000 2.490 380 L HA 0.057 4.399 4.340 0.003 0.000 0.274 380 L C -0.069 176.767 176.870 -0.056 0.000 1.201 380 L CA -0.172 54.636 54.840 -0.054 0.000 0.869 380 L CB 0.706 42.711 42.059 -0.090 0.000 1.123 380 L HN -0.074 nan 8.230 nan 0.000 0.484 381 V N 4.159 123.996 119.914 -0.127 0.000 2.370 381 V HA 0.271 4.393 4.120 0.003 0.000 0.279 381 V C -0.376 175.609 176.094 -0.182 0.000 1.029 381 V CA -0.504 61.757 62.300 -0.065 0.000 0.870 381 V CB 1.083 32.877 31.823 -0.048 0.000 0.984 381 V HN 0.374 nan 8.190 nan 0.000 0.451 382 Y N 3.391 123.712 120.300 0.034 0.000 2.376 382 Y HA 0.533 5.085 4.550 0.004 0.000 0.325 382 Y C 1.031 176.916 175.900 -0.026 0.000 1.199 382 Y CA -0.688 57.434 58.100 0.036 0.000 1.206 382 Y CB 1.041 39.557 38.460 0.093 0.000 1.229 382 Y HN 0.498 nan 8.280 nan 0.000 0.480 383 R N 1.649 122.222 120.500 0.123 0.000 2.590 383 R HA 0.223 4.565 4.340 0.003 0.000 0.274 383 R C -0.458 175.718 176.300 -0.207 0.000 1.061 383 R CA -0.301 55.781 56.100 -0.030 0.000 1.081 383 R CB 0.359 30.666 30.300 0.013 0.000 0.984 383 R HN 0.517 nan 8.270 nan 0.000 0.448 384 R N 1.361 121.558 120.500 -0.506 0.000 2.205 384 R HA 0.167 4.509 4.340 0.003 0.000 0.342 384 R C -0.555 175.391 176.300 -0.590 0.000 1.058 384 R CA -0.020 55.370 56.100 -1.183 0.000 0.904 384 R CB 1.145 30.760 30.300 -1.141 0.000 1.089 384 R HN 0.429 nan 8.270 nan 0.000 0.471 385 S N 0.628 116.125 115.700 -0.339 0.000 2.562 385 S HA 0.085 4.557 4.470 0.003 0.000 0.274 385 S C 0.617 175.485 174.600 0.446 0.000 1.160 385 S CA -0.737 57.519 58.200 0.094 0.000 0.933 385 S CB 1.420 64.687 63.200 0.111 0.000 1.100 385 S HN 0.653 nan 8.310 nan 0.000 0.468 386 T N 2.624 117.407 114.554 0.382 0.000 3.148 386 T HA 0.145 4.497 4.350 0.003 0.000 0.253 386 T C 1.247 176.117 174.700 0.284 0.000 1.134 386 T CA 0.532 62.872 62.100 0.399 0.000 1.051 386 T CB -0.065 68.866 68.868 0.105 0.000 0.959 386 T HN 0.435 nan 8.240 nan 0.000 0.525 387 L N 1.324 122.688 121.223 0.234 0.000 2.445 387 L HA 0.506 4.848 4.340 0.003 0.000 0.207 387 L C 0.421 177.409 176.870 0.198 0.000 1.053 387 L CA 0.252 55.199 54.840 0.179 0.000 0.841 387 L CB 0.854 42.989 42.059 0.127 0.000 1.074 387 L HN 0.307 nan 8.230 nan 0.000 0.479 388 V N -1.138 118.902 119.914 0.210 0.000 2.715 388 V HA 0.658 4.780 4.120 0.003 0.000 0.310 388 V C -0.498 175.735 176.094 0.232 0.000 1.054 388 V CA -0.834 61.585 62.300 0.199 0.000 0.928 388 V CB 1.655 33.579 31.823 0.168 0.000 1.007 388 V HN 0.349 nan 8.190 nan 0.000 0.437 389 R N 2.710 123.334 120.500 0.208 0.000 2.247 389 R HA 0.790 5.132 4.340 0.003 0.000 0.329 389 R C -0.219 176.234 176.300 0.255 0.000 1.014 389 R CA 0.438 56.657 56.100 0.198 0.000 0.907 389 R CB 0.720 31.091 30.300 0.119 0.000 1.146 389 R HN 1.401 nan 8.270 nan 0.000 0.499 390 G N 3.504 112.507 108.800 0.338 0.000 2.746 390 G HA2 0.391 4.353 3.960 0.003 0.000 0.297 390 G HA3 0.391 4.353 3.960 0.003 0.000 0.297 390 G C -1.391 173.651 174.900 0.238 0.000 1.426 390 G CA -0.869 44.400 45.100 0.280 0.000 0.989 390 G HN 0.445 nan 8.290 nan 0.000 0.520 391 L N 1.428 122.657 121.223 0.010 0.000 2.380 391 L HA 0.173 4.516 4.340 0.003 0.000 0.273 391 L C 1.735 178.532 176.870 -0.121 0.000 1.138 391 L CA -0.483 54.196 54.840 -0.269 0.000 0.832 391 L CB 1.445 43.331 42.059 -0.289 0.000 1.124 391 L HN 0.603 nan 8.230 nan 0.000 0.454 392 S N 2.001 117.616 115.700 -0.143 0.000 2.368 392 S HA 0.034 4.506 4.470 0.003 0.000 0.224 392 S C 0.540 175.079 174.600 -0.102 0.000 1.029 392 S CA 1.063 59.205 58.200 -0.096 0.000 0.988 392 S CB 0.040 63.187 63.200 -0.088 0.000 0.838 392 S HN 0.565 nan 8.310 nan 0.000 0.462 393 R N -0.795 119.635 120.500 -0.117 0.000 2.739 393 R HA 0.518 4.860 4.340 0.003 0.000 0.271 393 R C -1.296 174.944 176.300 -0.100 0.000 1.010 393 R CA -0.317 55.727 56.100 -0.093 0.000 0.897 393 R CB 1.597 31.848 30.300 -0.081 0.000 1.236 393 R HN 0.111 nan 8.270 nan 0.000 0.466 394 M N 2.939 122.501 119.600 -0.065 0.000 1.996 394 M HA 0.350 4.832 4.480 0.003 0.000 0.268 394 M C -2.675 173.600 176.300 -0.041 0.000 0.888 394 M CA -1.924 53.342 55.300 -0.057 0.000 0.939 394 M CB 1.826 34.404 32.600 -0.036 0.000 1.736 394 M HN 0.198 nan 8.290 nan 0.000 0.407 395 P HA 0.173 nan 4.420 nan 0.000 0.271 395 P C -0.889 176.389 177.300 -0.037 0.000 1.233 395 P CA -0.118 62.959 63.100 -0.038 0.000 0.764 395 P CB 0.565 32.244 31.700 -0.035 0.000 0.825 396 V N 0.840 120.728 119.914 -0.044 0.000 3.001 396 V HA 0.715 4.837 4.120 0.003 0.000 0.314 396 V C -0.404 175.655 176.094 -0.059 0.000 1.099 396 V CA -0.734 61.533 62.300 -0.055 0.000 0.989 396 V CB 2.033 33.811 31.823 -0.076 0.000 1.040 396 V HN 0.322 nan 8.190 nan 0.000 0.434 397 T N 4.788 119.304 114.554 -0.063 0.000 2.743 397 T HA 0.381 4.733 4.350 0.003 0.000 0.292 397 T C 1.099 175.743 174.700 -0.093 0.000 0.972 397 T CA -0.510 61.551 62.100 -0.066 0.000 0.967 397 T CB 1.203 70.040 68.868 -0.051 0.000 0.926 397 T HN 0.634 nan 8.240 nan 0.000 0.459 398 M N 1.925 121.463 119.600 -0.102 0.000 2.086 398 M HA 0.118 4.600 4.480 0.003 0.000 0.261 398 M C 1.566 177.792 176.300 -0.123 0.000 1.067 398 M CA 1.306 56.525 55.300 -0.136 0.000 1.116 398 M CB -1.629 30.893 32.600 -0.129 0.000 1.348 398 M HN 0.991 nan 8.290 nan 0.000 0.407 399 G N 0.903 109.650 108.800 -0.088 0.000 2.828 399 G HA2 -0.146 3.816 3.960 0.003 0.000 0.463 399 G HA3 -0.146 3.816 3.960 0.003 0.000 0.463 399 G C -2.692 172.168 174.900 -0.067 0.000 1.394 399 G CA -0.875 44.183 45.100 -0.071 0.000 0.862 399 G HN 0.248 nan 8.290 nan 0.000 0.540 400 P HA 0.208 nan 4.420 nan 0.000 0.268 400 P C 0.488 177.759 177.300 -0.049 0.000 1.205 400 P CA 0.031 63.105 63.100 -0.043 0.000 0.771 400 P CB 0.483 32.164 31.700 -0.032 0.000 0.858 401 R N 1.098 121.571 120.500 -0.044 0.000 2.827 401 R HA 0.167 4.509 4.340 0.003 0.000 0.269 401 R C 1.167 177.449 176.300 -0.029 0.000 1.048 401 R CA -0.057 56.018 56.100 -0.041 0.000 1.173 401 R CB -0.040 30.240 30.300 -0.034 0.000 1.070 401 R HN 0.504 nan 8.270 nan 0.000 0.498 402 S N 0.000 115.686 115.700 -0.024 0.000 2.498 402 S HA 0.000 4.472 4.470 0.003 0.000 0.327 402 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 402 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 402 S HN 0.000 nan 8.310 nan 0.000 0.517