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 1v5b_1_G DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTAMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE LASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLNN 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.320 176.300 0.032 0.000 1.140 1 M CA 0.000 55.347 55.300 0.078 0.000 0.988 1 M CB 0.000 32.679 32.600 0.131 0.000 1.302 2 K N 2.014 122.414 120.400 -0.000 0.000 2.156 2 K HA 0.889 5.209 4.320 -0.000 0.000 0.254 2 K C -0.998 175.557 176.600 -0.074 0.000 0.950 2 K CA -0.173 56.087 56.287 -0.045 0.000 0.849 2 K CB 1.839 34.322 32.500 -0.029 0.000 1.100 2 K HN 0.792 nan 8.250 nan 0.000 0.434 3 M N -0.183 119.322 119.600 -0.159 0.000 2.365 3 M HA 0.483 4.963 4.480 -0.000 0.000 0.287 3 M C -1.360 174.831 176.300 -0.181 0.000 1.154 3 M CA -0.861 54.331 55.300 -0.180 0.000 0.941 3 M CB 2.257 34.535 32.600 -0.538 0.000 1.704 3 M HN 0.154 nan 8.290 nan 0.000 0.479 4 K N 3.854 124.218 120.400 -0.060 0.000 2.347 4 K HA 0.641 4.961 4.320 -0.000 0.000 0.262 4 K C -1.213 175.379 176.600 -0.013 0.000 1.052 4 K CA -0.357 55.893 56.287 -0.062 0.000 0.946 4 K CB 1.399 33.904 32.500 0.009 0.000 1.220 4 K HN 0.651 nan 8.250 nan 0.000 0.450 5 L N 1.992 123.151 121.223 -0.107 0.000 2.334 5 L HA 0.460 4.800 4.340 -0.000 0.000 0.277 5 L C 0.241 177.182 176.870 0.119 0.000 1.075 5 L CA -0.830 54.025 54.840 0.025 0.000 0.804 5 L CB 1.460 43.517 42.059 -0.005 0.000 1.174 5 L HN 0.599 nan 8.230 nan 0.000 0.438 6 A N 3.590 126.505 122.820 0.159 0.000 2.280 6 A HA 0.550 4.870 4.320 -0.000 0.000 0.320 6 A C -0.402 177.274 177.584 0.154 0.000 1.366 6 A CA -0.442 51.687 52.037 0.154 0.000 0.938 6 A CB 0.559 19.656 19.000 0.161 0.000 1.157 6 A HN 0.418 nan 8.150 nan 0.000 0.536 7 V N 4.016 124.023 119.914 0.155 0.000 2.408 7 V HA 0.231 4.351 4.120 -0.000 0.000 0.267 7 V C -0.475 175.664 176.094 0.075 0.000 1.047 7 V CA 0.045 62.415 62.300 0.117 0.000 0.937 7 V CB 0.768 32.656 31.823 0.108 0.000 0.999 7 V HN 0.671 nan 8.190 nan 0.000 0.472 8 L N 9.187 130.445 121.223 0.059 0.000 2.529 8 L HA 0.375 4.715 4.340 -0.000 0.000 0.246 8 L C -1.215 175.669 176.870 0.023 0.000 1.394 8 L CA -1.279 53.584 54.840 0.039 0.000 0.906 8 L CB 1.273 43.357 42.059 0.041 0.000 1.170 8 L HN 0.362 nan 8.230 nan 0.000 0.501 9 P HA -0.118 nan 4.420 nan 0.000 0.215 9 P C 0.892 178.198 177.300 0.011 0.000 1.157 9 P CA 1.742 64.849 63.100 0.012 0.000 0.874 9 P CB 0.618 32.324 31.700 0.010 0.000 0.790 10 G N 0.157 108.960 108.800 0.005 0.000 2.484 10 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.225 10 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.225 10 G C -1.064 173.845 174.900 0.014 0.000 1.250 10 G CA 0.043 45.140 45.100 -0.006 0.000 0.926 10 G HN 0.289 nan 8.290 nan 0.000 0.581 11 D N 0.956 121.370 120.400 0.023 0.000 2.440 11 D HA 0.564 5.204 4.640 -0.000 0.000 0.258 11 D C 1.346 177.709 176.300 0.105 0.000 1.092 11 D CA 0.939 54.991 54.000 0.087 0.000 1.016 11 D CB 0.666 41.532 40.800 0.112 0.000 1.141 11 D HN 1.772 nan 8.370 nan 0.000 0.552 12 G N 0.843 109.725 108.800 0.137 0.000 2.652 12 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.318 12 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.318 12 G C 1.105 176.053 174.900 0.079 0.000 1.295 12 G CA 0.670 45.833 45.100 0.106 0.000 0.999 12 G HN 0.730 nan 8.290 nan 0.000 0.548 13 I N 0.458 121.073 120.570 0.075 0.000 3.369 13 I HA 0.252 4.422 4.170 -0.000 0.000 0.288 13 I C 2.208 178.369 176.117 0.073 0.000 1.321 13 I CA 1.356 62.696 61.300 0.066 0.000 1.358 13 I CB -1.114 36.924 38.000 0.064 0.000 1.038 13 I HN 0.627 nan 8.210 nan 0.000 0.516 14 G N 3.418 112.260 108.800 0.071 0.000 2.553 14 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 14 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 14 G C -0.218 174.703 174.900 0.036 0.000 1.195 14 G CA 1.236 46.367 45.100 0.053 0.000 0.779 14 G HN 0.463 nan 8.290 nan 0.000 0.577 15 P HA 0.056 nan 4.420 nan 0.000 0.237 15 P C 1.027 178.331 177.300 0.007 0.000 1.178 15 P CA 0.904 64.013 63.100 0.014 0.000 0.766 15 P CB 0.252 31.962 31.700 0.016 0.000 0.876 16 E N 0.138 120.348 120.200 0.017 0.000 2.042 16 E HA -0.063 4.287 4.350 -0.000 0.000 0.189 16 E C 2.123 178.727 176.600 0.006 0.000 0.974 16 E CA 1.123 57.528 56.400 0.008 0.000 0.806 16 E CB -0.378 29.329 29.700 0.012 0.000 0.769 16 E HN 0.112 nan 8.360 nan 0.000 0.451 17 V N -0.283 119.647 119.914 0.027 0.000 2.427 17 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 17 V C 2.363 178.465 176.094 0.013 0.000 1.051 17 V CA 1.617 63.939 62.300 0.037 0.000 1.048 17 V CB -0.529 31.352 31.823 0.097 0.000 0.666 17 V HN 0.139 nan 8.190 nan 0.000 0.456 18 M N 1.873 121.476 119.600 0.005 0.000 2.159 18 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 18 M C 1.720 177.987 176.300 -0.054 0.000 1.063 18 M CA 2.383 57.672 55.300 -0.018 0.000 1.110 18 M CB -0.872 31.720 32.600 -0.014 0.000 1.374 18 M HN 0.493 nan 8.290 nan 0.000 0.411 19 D N -0.410 119.958 120.400 -0.053 0.000 2.144 19 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 19 D C 1.881 178.131 176.300 -0.083 0.000 0.984 19 D CA 1.586 55.538 54.000 -0.080 0.000 0.834 19 D CB -0.063 40.702 40.800 -0.058 0.000 0.955 19 D HN 0.463 nan 8.370 nan 0.000 0.465 20 A N 0.640 123.428 122.820 -0.054 0.000 1.873 20 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 20 A C 2.392 179.941 177.584 -0.058 0.000 1.193 20 A CA 2.534 54.543 52.037 -0.047 0.000 0.629 20 A CB -1.281 17.704 19.000 -0.026 0.000 0.826 20 A HN 0.319 nan 8.150 nan 0.000 0.447 21 A N -0.377 122.410 122.820 -0.054 0.000 1.902 21 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 21 A C 2.134 179.659 177.584 -0.098 0.000 1.181 21 A CA 1.527 53.531 52.037 -0.055 0.000 0.623 21 A CB -0.617 18.363 19.000 -0.034 0.000 0.818 21 A HN 0.518 nan 8.150 nan 0.000 0.443 22 I N -1.005 119.461 120.570 -0.173 0.000 2.286 22 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 22 I C 2.704 178.660 176.117 -0.269 0.000 1.115 22 I CA 1.221 62.308 61.300 -0.355 0.000 1.392 22 I CB -0.307 37.386 38.000 -0.510 0.000 1.065 22 I HN 0.317 nan 8.210 nan 0.000 0.418 23 R N -0.158 120.244 120.500 -0.163 0.000 2.148 23 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 23 R C 2.258 178.522 176.300 -0.060 0.000 1.088 23 R CA 0.791 56.829 56.100 -0.103 0.000 0.985 23 R CB -0.134 30.119 30.300 -0.078 0.000 0.880 23 R HN 0.214 nan 8.270 nan 0.000 0.451 24 V N 1.178 121.059 119.914 -0.055 0.000 2.407 24 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 24 V C 2.205 178.290 176.094 -0.016 0.000 1.041 24 V CA 1.376 63.658 62.300 -0.031 0.000 1.040 24 V CB -0.222 31.583 31.823 -0.029 0.000 0.671 24 V HN 0.256 nan 8.190 nan 0.000 0.455 25 L N -0.389 120.831 121.223 -0.006 0.000 2.046 25 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 25 L C 2.579 179.487 176.870 0.063 0.000 1.077 25 L CA 1.550 56.408 54.840 0.029 0.000 0.747 25 L CB -0.494 41.627 42.059 0.103 0.000 0.896 25 L HN 0.258 nan 8.230 nan 0.000 0.432 26 K N -0.358 120.092 120.400 0.083 0.000 2.044 26 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 26 K C 2.000 178.630 176.600 0.049 0.000 1.049 26 K CA 2.034 58.380 56.287 0.098 0.000 0.927 26 K CB -0.430 32.099 32.500 0.048 0.000 0.713 26 K HN 0.199 nan 8.250 nan 0.000 0.443 27 T N -0.363 114.204 114.554 0.021 0.000 2.612 27 T HA -0.100 4.250 4.350 -0.000 0.000 0.259 27 T C 1.733 176.443 174.700 0.017 0.000 1.065 27 T CA 1.386 63.494 62.100 0.014 0.000 1.167 27 T CB -0.457 68.412 68.868 0.001 0.000 0.863 27 T HN -0.038 nan 8.240 nan 0.000 0.407 28 V N 1.660 121.577 119.914 0.005 0.000 2.636 28 V HA -0.110 4.010 4.120 -0.000 0.000 0.258 28 V C 2.166 178.264 176.094 0.007 0.000 1.092 28 V CA 1.339 63.638 62.300 -0.002 0.000 1.110 28 V CB -0.568 31.239 31.823 -0.026 0.000 0.685 28 V HN 0.449 nan 8.190 nan 0.000 0.481 29 L N -0.536 120.697 121.223 0.017 0.000 2.552 29 L HA -0.006 4.334 4.340 -0.000 0.000 0.227 29 L C 1.348 178.302 176.870 0.140 0.000 1.146 29 L CA 0.615 55.493 54.840 0.064 0.000 0.858 29 L CB -0.380 41.693 42.059 0.023 0.000 0.969 29 L HN 0.368 nan 8.230 nan 0.000 0.451 30 D N -0.627 119.819 120.400 0.077 0.000 2.319 30 D HA -0.063 4.577 4.640 -0.000 0.000 0.230 30 D C 1.288 177.622 176.300 0.058 0.000 1.094 30 D CA 0.144 54.176 54.000 0.054 0.000 0.856 30 D CB 0.043 40.861 40.800 0.030 0.000 0.915 30 D HN 0.320 nan 8.370 nan 0.000 0.517 31 N N 1.716 120.477 118.700 0.101 0.000 2.046 31 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 31 N C 0.524 176.079 175.510 0.075 0.000 1.085 31 N CA 1.396 54.504 53.050 0.097 0.000 0.876 31 N CB -0.075 38.491 38.487 0.132 0.000 1.052 31 N HN -0.211 nan 8.380 nan 0.000 0.432 32 D N -0.986 119.488 120.400 0.123 0.000 2.370 32 D HA 0.306 4.946 4.640 -0.000 0.000 0.230 32 D C -0.508 175.585 176.300 -0.346 0.000 1.143 32 D CA 0.708 54.655 54.000 -0.087 0.000 0.834 32 D CB -0.272 40.494 40.800 -0.056 0.000 0.944 32 D HN 0.644 nan 8.370 nan 0.000 0.504 33 G N 1.635 110.302 108.800 -0.221 0.000 2.540 33 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 33 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 33 G C -0.683 173.974 174.900 -0.404 0.000 0.993 33 G CA -0.395 44.575 45.100 -0.218 0.000 1.327 33 G HN 0.427 nan 8.290 nan 0.000 0.485 34 H N 0.114 119.149 119.070 -0.058 0.000 2.621 34 H HA 0.725 5.281 4.556 0.000 0.000 0.360 34 H C 0.138 175.408 175.328 -0.097 0.000 1.163 34 H CA -0.728 55.269 56.048 -0.086 0.000 1.194 34 H CB 1.458 31.149 29.762 -0.118 0.000 1.649 34 H HN 0.480 nan 8.280 nan 0.000 0.532 35 E N 0.592 120.787 120.200 -0.008 0.000 2.212 35 E HA 0.739 5.089 4.350 -0.000 0.000 0.268 35 E C -1.042 175.471 176.600 -0.144 0.000 0.902 35 E CA -1.271 55.092 56.400 -0.062 0.000 0.779 35 E CB 2.483 32.149 29.700 -0.056 0.000 1.172 35 E HN 0.655 nan 8.360 nan 0.000 0.409 36 A N 1.890 124.582 122.820 -0.213 0.000 2.449 36 A HA 0.572 4.892 4.320 -0.000 0.000 0.302 36 A C -1.138 176.164 177.584 -0.469 0.000 1.048 36 A CA -0.646 51.142 52.037 -0.415 0.000 0.708 36 A CB 1.453 20.072 19.000 -0.635 0.000 1.274 36 A HN 0.324 nan 8.150 nan 0.000 0.410 37 V N 2.565 122.214 119.914 -0.441 0.000 2.378 37 V HA 0.469 4.589 4.120 -0.000 0.000 0.288 37 V C -0.805 175.074 176.094 -0.359 0.000 1.016 37 V CA -0.289 61.838 62.300 -0.287 0.000 0.840 37 V CB 0.470 32.220 31.823 -0.121 0.000 0.994 37 V HN 0.704 nan 8.190 nan 0.000 0.431 38 F N 2.379 122.329 119.950 -0.001 0.000 2.370 38 F HA 0.623 5.150 4.527 -0.000 0.000 0.324 38 F C 0.579 176.389 175.800 0.016 0.000 1.116 38 F CA -0.562 57.441 58.000 0.006 0.000 1.123 38 F CB 1.043 40.042 39.000 -0.001 0.000 1.238 38 F HN 0.510 nan 8.300 nan 0.000 0.536 39 E N 1.484 121.815 120.200 0.218 0.000 2.367 39 E HA 0.223 4.573 4.350 -0.000 0.000 0.292 39 E C -1.620 175.048 176.600 0.113 0.000 0.900 39 E CA -0.707 55.771 56.400 0.131 0.000 0.807 39 E CB 0.678 30.431 29.700 0.089 0.000 1.337 39 E HN 0.646 nan 8.360 nan 0.000 0.394 40 N N 1.719 120.472 118.700 0.089 0.000 2.518 40 N HA 0.478 5.218 4.740 -0.000 0.000 0.266 40 N C -1.016 174.527 175.510 0.054 0.000 1.196 40 N CA 0.629 53.718 53.050 0.065 0.000 0.947 40 N CB 1.397 39.911 38.487 0.046 0.000 1.098 40 N HN 0.513 nan 8.380 nan 0.000 0.450 41 A N 1.662 124.511 122.820 0.048 0.000 2.539 41 A HA 0.605 4.925 4.320 -0.000 0.000 0.296 41 A C -1.144 176.455 177.584 0.026 0.000 1.073 41 A CA -0.667 51.393 52.037 0.039 0.000 0.700 41 A CB 0.971 20.000 19.000 0.047 0.000 1.296 41 A HN 0.544 nan 8.150 nan 0.000 0.405 42 L N 1.794 123.026 121.223 0.015 0.000 2.334 42 L HA 0.711 5.051 4.340 -0.000 0.000 0.277 42 L C -0.231 176.629 176.870 -0.016 0.000 1.075 42 L CA -0.355 54.485 54.840 0.000 0.000 0.804 42 L CB 1.349 43.408 42.059 -0.001 0.000 1.174 42 L HN 0.738 nan 8.230 nan 0.000 0.438 43 I N 0.783 121.330 120.570 -0.038 0.000 2.984 43 I HA 0.614 4.784 4.170 -0.000 0.000 0.303 43 I C 0.351 176.395 176.117 -0.122 0.000 1.381 43 I CA 0.134 61.396 61.300 -0.063 0.000 0.988 43 I CB 2.014 39.992 38.000 -0.036 0.000 1.307 43 I HN 0.733 nan 8.210 nan 0.000 0.460 44 G N 3.547 112.250 108.800 -0.162 0.000 2.528 44 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.262 44 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.262 44 G C 0.765 175.375 174.900 -0.484 0.000 1.200 44 G CA 0.316 45.254 45.100 -0.270 0.000 0.951 44 G HN 1.434 nan 8.290 nan 0.000 0.566 45 G N -0.065 108.228 108.800 -0.844 0.000 2.448 45 G HA2 0.255 4.215 3.960 -0.000 0.000 0.219 45 G HA3 0.255 4.215 3.960 -0.000 0.000 0.219 45 G C 2.097 176.608 174.900 -0.648 0.000 1.127 45 G CA 2.922 47.003 45.100 -1.698 0.000 0.766 45 G HN 1.877 nan 8.290 nan 0.000 0.552 46 A N 1.311 123.962 122.820 -0.282 0.000 1.858 46 A HA 0.277 4.597 4.320 -0.000 0.000 0.216 46 A C 2.843 180.397 177.584 -0.049 0.000 1.190 46 A CA 2.241 54.250 52.037 -0.046 0.000 0.617 46 A CB -0.897 18.091 19.000 -0.019 0.000 0.827 46 A HN 0.764 nan 8.150 nan 0.000 0.443 47 A N -0.123 122.637 122.820 -0.100 0.000 1.902 47 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 47 A C 2.132 179.677 177.584 -0.064 0.000 1.181 47 A CA 1.527 53.524 52.037 -0.067 0.000 0.623 47 A CB -0.639 18.316 19.000 -0.076 0.000 0.818 47 A HN 0.507 nan 8.150 nan 0.000 0.443 48 I N -0.074 120.412 120.570 -0.139 0.000 2.163 48 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 48 I C 1.920 178.068 176.117 0.050 0.000 1.085 48 I CA 1.662 62.908 61.300 -0.089 0.000 1.347 48 I CB -0.519 37.330 38.000 -0.253 0.000 1.044 48 I HN 0.286 nan 8.210 nan 0.000 0.408 49 D N 0.466 120.939 120.400 0.122 0.000 2.123 49 D HA -0.193 4.447 4.640 -0.000 0.000 0.196 49 D C 2.124 178.481 176.300 0.096 0.000 0.992 49 D CA 1.397 55.503 54.000 0.176 0.000 0.833 49 D CB -0.096 40.837 40.800 0.223 0.000 0.954 49 D HN 0.315 nan 8.370 nan 0.000 0.455 50 E N -0.121 120.116 120.200 0.061 0.000 2.057 50 E HA 0.154 4.504 4.350 -0.000 0.000 0.190 50 E C 1.795 178.413 176.600 0.030 0.000 0.969 50 E CA 0.968 57.394 56.400 0.042 0.000 0.812 50 E CB -0.093 29.627 29.700 0.032 0.000 0.777 50 E HN 0.162 nan 8.360 nan 0.000 0.455 51 A N -1.170 121.661 122.820 0.019 0.000 2.169 51 A HA 0.453 4.773 4.320 -0.000 0.000 0.210 51 A C 1.579 179.171 177.584 0.013 0.000 1.168 51 A CA 0.864 52.909 52.037 0.013 0.000 0.813 51 A CB 0.066 19.069 19.000 0.004 0.000 0.861 51 A HN 0.311 nan 8.150 nan 0.000 0.481 52 G N -1.141 107.669 108.800 0.016 0.000 2.144 52 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.218 52 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.218 52 G C 0.247 175.150 174.900 0.004 0.000 0.988 52 G CA 0.710 45.822 45.100 0.020 0.000 0.659 52 G HN 1.714 nan 8.290 nan 0.000 0.522 53 T N -3.825 110.718 114.554 -0.018 0.000 2.786 53 T HA 0.706 5.056 4.350 -0.000 0.000 0.316 53 T C -2.290 172.367 174.700 -0.072 0.000 1.503 53 T CA -0.401 61.678 62.100 -0.036 0.000 1.019 53 T CB 2.638 71.493 68.868 -0.022 0.000 1.415 53 T HN -0.048 nan 8.240 nan 0.000 0.496 54 P HA 0.192 nan 4.420 nan 0.000 0.231 54 P C 0.169 177.420 177.300 -0.081 0.000 1.168 54 P CA 0.285 63.309 63.100 -0.127 0.000 0.779 54 P CB 0.270 31.888 31.700 -0.136 0.000 0.844 55 L N 0.950 122.143 121.223 -0.049 0.000 2.490 55 L HA 0.589 4.929 4.340 -0.000 0.000 0.256 55 L C -2.980 173.881 176.870 -0.016 0.000 1.089 55 L CA -2.630 52.193 54.840 -0.028 0.000 0.916 55 L CB 1.230 43.278 42.059 -0.018 0.000 1.188 55 L HN -0.298 nan 8.230 nan 0.000 0.476 56 P HA 0.205 nan 4.420 nan 0.000 0.271 56 P C 0.518 177.819 177.300 0.001 0.000 1.218 56 P CA -0.202 62.895 63.100 -0.005 0.000 0.780 56 P CB 0.887 32.586 31.700 -0.003 0.000 0.901 57 E N 1.815 122.017 120.200 0.002 0.000 2.118 57 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 57 E C 1.572 178.176 176.600 0.006 0.000 0.992 57 E CA 1.377 57.779 56.400 0.004 0.000 0.804 57 E CB 0.016 29.718 29.700 0.003 0.000 0.741 57 E HN 0.621 nan 8.360 nan 0.000 0.458 58 E N -0.242 119.963 120.200 0.008 0.000 2.085 58 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 58 E C 1.833 178.443 176.600 0.017 0.000 0.994 58 E CA 1.762 58.169 56.400 0.012 0.000 0.801 58 E CB 0.018 29.726 29.700 0.013 0.000 0.743 58 E HN 0.066 nan 8.360 nan 0.000 0.453 59 T N 1.050 115.614 114.554 0.016 0.000 2.788 59 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 59 T C 1.794 176.511 174.700 0.029 0.000 1.044 59 T CA 1.245 63.359 62.100 0.023 0.000 1.139 59 T CB -0.146 68.733 68.868 0.017 0.000 0.867 59 T HN 0.162 nan 8.240 nan 0.000 0.454 60 L N 0.848 122.083 121.223 0.020 0.000 2.046 60 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 60 L C 2.531 179.407 176.870 0.010 0.000 1.077 60 L CA 1.126 55.975 54.840 0.016 0.000 0.747 60 L CB -0.626 41.435 42.059 0.004 0.000 0.896 60 L HN 0.164 nan 8.230 nan 0.000 0.432 61 D N 0.417 120.823 120.400 0.009 0.000 2.116 61 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 61 D C 2.273 178.583 176.300 0.018 0.000 0.998 61 D CA 1.314 55.318 54.000 0.006 0.000 0.836 61 D CB -0.138 40.667 40.800 0.008 0.000 0.951 61 D HN 0.176 nan 8.370 nan 0.000 0.449 62 I N 1.231 121.821 120.570 0.033 0.000 2.091 62 I HA -0.286 3.884 4.170 -0.000 0.000 0.239 62 I C 2.755 178.916 176.117 0.074 0.000 1.061 62 I CA 0.829 62.160 61.300 0.052 0.000 1.317 62 I CB -1.458 36.578 38.000 0.060 0.000 1.031 62 I HN 0.120 nan 8.210 nan 0.000 0.401 63 C N 0.760 120.109 119.300 0.083 0.000 2.401 63 C HA -0.185 4.275 4.460 -0.000 0.000 0.276 63 C C 2.976 178.006 174.990 0.066 0.000 1.233 63 C CA 0.834 59.933 59.018 0.135 0.000 1.753 63 C CB -1.242 26.578 27.740 0.134 0.000 2.029 63 C HN 0.460 nan 8.230 nan 0.000 0.478 64 R N 0.800 121.285 120.500 -0.025 0.000 2.081 64 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 64 R C 2.063 178.330 176.300 -0.056 0.000 1.131 64 R CA 1.107 57.142 56.100 -0.109 0.000 0.960 64 R CB -0.384 29.865 30.300 -0.085 0.000 0.856 64 R HN 0.527 nan 8.270 nan 0.000 0.436 65 R N 1.071 121.574 120.500 0.005 0.000 2.363 65 R HA 0.194 4.534 4.340 -0.000 0.000 0.236 65 R C -0.548 175.791 176.300 0.065 0.000 0.966 65 R CA 0.263 56.377 56.100 0.024 0.000 1.100 65 R CB 0.116 30.428 30.300 0.020 0.000 1.125 65 R HN -0.061 nan 8.270 nan 0.000 0.514 66 S N 0.239 116.009 115.700 0.116 0.000 2.726 66 S HA 0.341 4.811 4.470 -0.000 0.000 0.308 66 S C -0.108 174.666 174.600 0.290 0.000 1.115 66 S CA -0.775 57.535 58.200 0.184 0.000 0.965 66 S CB 1.859 65.188 63.200 0.216 0.000 1.145 66 S HN 0.146 nan 8.310 nan 0.000 0.532 67 D N 0.453 121.036 120.400 0.305 0.000 2.324 67 D HA 0.383 5.023 4.640 -0.000 0.000 0.212 67 D C 0.414 176.885 176.300 0.285 0.000 0.984 67 D CA 0.566 54.776 54.000 0.349 0.000 0.885 67 D CB 0.274 41.301 40.800 0.379 0.000 0.996 67 D HN 0.491 nan 8.370 nan 0.000 0.505 68 A N -0.009 122.935 122.820 0.208 0.000 2.593 68 A HA 0.711 5.031 4.320 -0.000 0.000 0.290 68 A C -1.509 176.102 177.584 0.045 0.000 1.126 68 A CA -0.602 51.398 52.037 -0.061 0.000 0.695 68 A CB 1.414 20.482 19.000 0.114 0.000 1.290 68 A HN -0.002 nan 8.150 nan 0.000 0.414 69 I N 0.750 121.310 120.570 -0.016 0.000 2.466 69 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 69 I C -1.196 175.010 176.117 0.148 0.000 1.026 69 I CA -0.298 61.057 61.300 0.092 0.000 1.078 69 I CB 1.768 39.817 38.000 0.082 0.000 1.249 69 I HN 0.438 nan 8.210 nan 0.000 0.429 70 L N 6.870 128.178 121.223 0.142 0.000 2.276 70 L HA 0.492 4.832 4.340 -0.000 0.000 0.286 70 L C -0.748 176.173 176.870 0.085 0.000 1.024 70 L CA -0.473 54.445 54.840 0.130 0.000 0.826 70 L CB 1.567 43.696 42.059 0.116 0.000 1.211 70 L HN 0.423 nan 8.230 nan 0.000 0.422 71 L N 1.925 123.186 121.223 0.065 0.000 2.330 71 L HA 0.714 5.054 4.340 -0.000 0.000 0.271 71 L C 0.684 177.558 176.870 0.006 0.000 1.013 71 L CA 0.084 54.942 54.840 0.030 0.000 0.816 71 L CB 2.023 44.090 42.059 0.015 0.000 1.287 71 L HN 0.504 nan 8.230 nan 0.000 0.435 72 G N 1.116 109.914 108.800 -0.004 0.000 2.571 72 G HA2 0.658 4.618 3.960 -0.000 0.000 0.225 72 G HA3 0.658 4.618 3.960 -0.000 0.000 0.225 72 G C -0.528 174.345 174.900 -0.044 0.000 1.731 72 G CA 0.531 45.620 45.100 -0.018 0.000 0.858 72 G HN 0.967 nan 8.290 nan 0.000 0.611 73 A N -1.733 121.077 122.820 -0.017 0.000 2.569 73 A HA 0.585 4.905 4.320 -0.000 0.000 0.292 73 A C -1.129 176.454 177.584 -0.001 0.000 1.032 73 A CA 0.103 52.131 52.037 -0.015 0.000 0.669 73 A CB 0.701 19.700 19.000 -0.002 0.000 1.290 73 A HN 1.657 nan 8.150 nan 0.000 0.422 74 V N -1.672 118.238 119.914 -0.007 0.000 3.074 74 V HA 1.051 5.171 4.120 -0.000 0.000 0.314 74 V C 0.288 176.392 176.094 0.017 0.000 1.117 74 V CA -0.372 61.913 62.300 -0.025 0.000 1.014 74 V CB 1.169 32.946 31.823 -0.077 0.000 1.057 74 V HN 2.868 nan 8.190 nan 0.000 0.438 75 G N -0.427 108.394 108.800 0.035 0.000 2.634 75 G HA2 0.571 4.531 3.960 -0.000 0.000 0.568 75 G HA3 0.571 4.531 3.960 -0.000 0.000 0.568 75 G C -0.471 174.606 174.900 0.295 0.000 1.495 75 G CA 0.061 45.240 45.100 0.132 0.000 0.903 75 G HN 2.232 nan 8.290 nan 0.000 0.646 76 G N 1.662 110.729 108.800 0.445 0.000 2.752 76 G HA2 0.712 4.672 3.960 -0.000 0.000 0.298 76 G HA3 0.712 4.672 3.960 -0.000 0.000 0.298 76 G C -1.776 173.278 174.900 0.257 0.000 1.434 76 G CA -0.370 44.998 45.100 0.448 0.000 1.004 76 G HN 0.415 nan 8.290 nan 0.000 0.560 77 P HA -0.099 nan 4.420 nan 0.000 0.218 77 P C 1.758 179.023 177.300 -0.058 0.000 1.148 77 P CA 0.908 64.018 63.100 0.017 0.000 0.822 77 P CB 0.355 32.049 31.700 -0.011 0.000 0.784 78 K N -0.995 119.227 120.400 -0.297 0.000 2.281 78 K HA -0.151 4.169 4.320 -0.000 0.000 0.203 78 K C 0.853 177.164 176.600 -0.482 0.000 1.046 78 K CA 1.201 57.161 56.287 -0.545 0.000 0.938 78 K CB -0.233 31.647 32.500 -1.034 0.000 0.737 78 K HN 0.238 nan 8.250 nan 0.000 0.458 79 W N 1.225 122.562 121.300 0.062 0.000 3.132 79 W HA 0.112 4.772 4.660 -0.000 0.000 0.364 79 W C 0.147 176.703 176.519 0.062 0.000 1.129 79 W CA -0.410 56.972 57.345 0.060 0.000 1.815 79 W CB 0.333 29.816 29.460 0.037 0.000 1.099 79 W HN 0.088 nan 8.180 nan 0.000 0.605 80 D N -0.481 120.048 120.400 0.214 0.000 2.371 80 D HA -0.105 4.535 4.640 -0.000 0.000 0.221 80 D C 0.968 177.264 176.300 -0.006 0.000 0.986 80 D CA 1.188 55.242 54.000 0.089 0.000 0.899 80 D CB -0.171 40.634 40.800 0.009 0.000 0.902 80 D HN 0.305 nan 8.370 nan 0.000 0.530 81 H N -0.338 118.767 119.070 0.058 0.000 2.553 81 H HA 0.144 4.700 4.556 -0.000 0.000 0.265 81 H C 0.252 175.611 175.328 0.052 0.000 0.964 81 H CA -0.075 55.996 56.048 0.039 0.000 1.156 81 H CB 0.143 29.916 29.762 0.019 0.000 1.411 81 H HN -0.070 nan 8.280 nan 0.000 0.558 82 N N 1.890 120.695 118.700 0.176 0.000 2.467 82 N HA 0.096 4.836 4.740 -0.000 0.000 0.262 82 N C -2.432 173.127 175.510 0.083 0.000 1.234 82 N CA -1.638 51.493 53.050 0.135 0.000 0.952 82 N CB 0.430 39.016 38.487 0.165 0.000 1.158 82 N HN 0.086 nan 8.380 nan 0.000 0.463 83 P HA 0.085 nan 4.420 nan 0.000 0.275 83 P C 0.031 177.347 177.300 0.027 0.000 1.227 83 P CA -0.208 62.913 63.100 0.035 0.000 0.781 83 P CB 0.909 32.626 31.700 0.028 0.000 0.906 84 A N 4.313 127.141 122.820 0.014 0.000 1.899 84 A HA -0.325 3.995 4.320 -0.000 0.000 0.230 84 A C 2.197 179.782 177.584 0.000 0.000 1.593 84 A CA 3.490 55.530 52.037 0.005 0.000 0.728 84 A CB -2.165 16.830 19.000 -0.007 0.000 0.848 84 A HN 0.697 nan 8.150 nan 0.000 0.490 85 S N -1.909 113.789 115.700 -0.002 0.000 2.537 85 S HA 0.082 4.552 4.470 -0.000 0.000 0.240 85 S C 0.828 175.424 174.600 -0.007 0.000 0.981 85 S CA 1.311 59.507 58.200 -0.006 0.000 0.948 85 S CB -0.110 63.087 63.200 -0.005 0.000 0.759 85 S HN 0.270 nan 8.310 nan 0.000 0.531 86 L N 1.343 122.568 121.223 0.003 0.000 3.141 86 L HA 0.489 4.829 4.340 -0.000 0.000 0.267 86 L C 0.384 177.257 176.870 0.004 0.000 1.281 86 L CA 0.053 54.896 54.840 0.005 0.000 1.037 86 L CB -0.103 41.973 42.059 0.028 0.000 1.407 86 L HN 0.161 nan 8.230 nan 0.000 0.566 87 R N -0.421 120.071 120.500 -0.013 0.000 2.787 87 R HA 0.394 4.734 4.340 -0.000 0.000 0.271 87 R C -1.662 174.577 176.300 -0.102 0.000 0.993 87 R CA -1.728 54.363 56.100 -0.016 0.000 0.993 87 R CB 1.348 31.664 30.300 0.026 0.000 1.155 87 R HN -0.194 nan 8.270 nan 0.000 0.486 88 P HA -0.189 nan 4.420 nan 0.000 0.213 88 P C 0.467 177.693 177.300 -0.122 0.000 1.170 88 P CA 1.402 64.353 63.100 -0.250 0.000 0.902 88 P CB 0.289 31.805 31.700 -0.306 0.000 0.789 89 E N -0.376 119.787 120.200 -0.062 0.000 2.169 89 E HA -0.256 4.094 4.350 -0.000 0.000 0.202 89 E C 1.923 178.506 176.600 -0.030 0.000 1.016 89 E CA 1.560 57.942 56.400 -0.031 0.000 0.817 89 E CB -0.677 29.020 29.700 -0.005 0.000 0.736 89 E HN 0.118 nan 8.360 nan 0.000 0.462 90 K N -0.062 120.317 120.400 -0.034 0.000 2.057 90 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 90 K C 2.046 178.630 176.600 -0.027 0.000 1.049 90 K CA 1.456 57.727 56.287 -0.026 0.000 0.931 90 K CB -0.859 31.626 32.500 -0.025 0.000 0.714 90 K HN 0.235 nan 8.250 nan 0.000 0.440 91 G N 0.606 109.378 108.800 -0.047 0.000 2.485 91 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.221 91 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.221 91 G C 1.312 176.197 174.900 -0.026 0.000 1.115 91 G CA 0.942 46.016 45.100 -0.043 0.000 0.751 91 G HN 0.288 nan 8.290 nan 0.000 0.567 92 L N 0.187 121.395 121.223 -0.025 0.000 2.095 92 L HA 0.256 4.596 4.340 -0.000 0.000 0.204 92 L C 2.644 179.518 176.870 0.006 0.000 1.080 92 L CA 1.162 55.995 54.840 -0.011 0.000 0.759 92 L CB -0.619 41.431 42.059 -0.015 0.000 0.914 92 L HN 0.209 nan 8.230 nan 0.000 0.439 93 L N -0.802 120.428 121.223 0.011 0.000 2.056 93 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 93 L C 2.523 179.415 176.870 0.035 0.000 1.078 93 L CA 1.162 56.020 54.840 0.030 0.000 0.749 93 L CB -1.356 40.721 42.059 0.030 0.000 0.901 93 L HN 0.408 nan 8.230 nan 0.000 0.433 94 G N 0.434 109.247 108.800 0.021 0.000 2.469 94 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 94 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 94 G C 1.580 176.497 174.900 0.029 0.000 1.150 94 G CA 0.997 46.112 45.100 0.024 0.000 0.763 94 G HN 0.230 nan 8.290 nan 0.000 0.561 95 L N 0.681 121.919 121.223 0.024 0.000 2.012 95 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 95 L C 2.689 179.588 176.870 0.048 0.000 1.073 95 L CA 2.477 57.337 54.840 0.033 0.000 0.748 95 L CB -0.590 41.486 42.059 0.030 0.000 0.891 95 L HN 0.268 nan 8.230 nan 0.000 0.431 96 R N -0.361 120.166 120.500 0.045 0.000 2.073 96 R HA -0.208 4.132 4.340 -0.000 0.000 0.229 96 R C 2.372 178.709 176.300 0.060 0.000 1.120 96 R CA 1.628 57.758 56.100 0.050 0.000 0.967 96 R CB -0.228 30.093 30.300 0.034 0.000 0.862 96 R HN 0.294 nan 8.270 nan 0.000 0.436 97 K N 0.540 120.981 120.400 0.068 0.000 2.280 97 K HA -0.175 4.145 4.320 -0.000 0.000 0.202 97 K C 1.761 178.398 176.600 0.061 0.000 1.047 97 K CA 1.589 57.925 56.287 0.082 0.000 0.942 97 K CB 0.051 32.611 32.500 0.100 0.000 0.739 97 K HN 0.113 nan 8.250 nan 0.000 0.457 98 E N -0.326 119.903 120.200 0.048 0.000 2.060 98 E HA -0.003 4.347 4.350 -0.000 0.000 0.189 98 E C 1.226 177.837 176.600 0.017 0.000 0.974 98 E CA 1.108 57.526 56.400 0.030 0.000 0.808 98 E CB 0.072 29.786 29.700 0.024 0.000 0.768 98 E HN 0.188 nan 8.360 nan 0.000 0.453 99 M N -0.218 119.402 119.600 0.034 0.000 2.682 99 M HA 0.186 4.666 4.480 -0.000 0.000 0.235 99 M C 0.997 177.315 176.300 0.030 0.000 1.114 99 M CA 1.039 56.348 55.300 0.015 0.000 1.053 99 M CB -0.768 31.924 32.600 0.153 0.000 1.599 99 M HN 0.331 nan 8.290 nan 0.000 0.520 100 G N 1.684 110.511 108.800 0.045 0.000 2.225 100 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.267 100 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.267 100 G C 0.070 175.024 174.900 0.089 0.000 1.024 100 G CA -0.079 45.064 45.100 0.073 0.000 0.784 100 G HN 0.487 nan 8.290 nan 0.000 0.507 101 L N -0.145 121.105 121.223 0.045 0.000 2.360 101 L HA 0.485 4.825 4.340 -0.000 0.000 0.276 101 L C 1.592 178.457 176.870 -0.010 0.000 1.121 101 L CA -0.439 54.363 54.840 -0.064 0.000 0.845 101 L CB 0.259 42.279 42.059 -0.066 0.000 1.143 101 L HN 0.291 nan 8.230 nan 0.000 0.452 102 F N 0.620 120.561 119.950 -0.016 0.000 2.728 102 F HA 0.637 5.164 4.527 -0.000 0.000 0.314 102 F C 0.483 176.265 175.800 -0.031 0.000 1.094 102 F CA -0.822 57.161 58.000 -0.029 0.000 1.217 102 F CB 0.038 39.020 39.000 -0.032 0.000 1.056 102 F HN 0.269 nan 8.300 nan 0.000 0.577 103 A N 1.286 124.009 122.820 -0.162 0.000 2.355 103 A HA 0.632 4.952 4.320 -0.000 0.000 0.317 103 A C -1.413 176.103 177.584 -0.113 0.000 1.094 103 A CA -0.648 51.359 52.037 -0.051 0.000 0.764 103 A CB 0.762 19.691 19.000 -0.119 0.000 1.230 103 A HN 0.278 nan 8.150 nan 0.000 0.448 104 N N 1.632 120.301 118.700 -0.051 0.000 2.417 104 N HA 0.493 5.233 4.740 -0.000 0.000 0.274 104 N C -1.310 174.162 175.510 -0.063 0.000 0.987 104 N CA -0.280 52.730 53.050 -0.067 0.000 0.912 104 N CB 1.072 39.539 38.487 -0.032 0.000 1.177 104 N HN 0.640 nan 8.380 nan 0.000 0.490 105 L N 3.515 124.686 121.223 -0.087 0.000 2.287 105 L HA 0.587 4.927 4.340 -0.000 0.000 0.287 105 L C -0.587 176.277 176.870 -0.010 0.000 1.022 105 L CA -0.785 54.013 54.840 -0.070 0.000 0.814 105 L CB 0.587 42.561 42.059 -0.141 0.000 1.217 105 L HN 0.568 nan 8.230 nan 0.000 0.420 106 R N 6.543 127.045 120.500 0.004 0.000 2.472 106 R HA 0.454 4.794 4.340 -0.000 0.000 0.294 106 R C -2.656 173.670 176.300 0.044 0.000 1.243 106 R CA -1.617 54.501 56.100 0.029 0.000 1.023 106 R CB 1.425 31.734 30.300 0.015 0.000 1.157 106 R HN 0.365 nan 8.270 nan 0.000 0.530 107 P HA 0.115 nan 4.420 nan 0.000 0.280 107 P C -0.824 176.525 177.300 0.083 0.000 1.244 107 P CA -0.250 62.902 63.100 0.086 0.000 0.784 107 P CB 1.739 33.513 31.700 0.122 0.000 0.913 108 V N 4.403 124.362 119.914 0.077 0.000 2.409 108 V HA 0.379 4.499 4.120 -0.000 0.000 0.290 108 V C 0.155 176.303 176.094 0.090 0.000 1.017 108 V CA -0.352 61.999 62.300 0.085 0.000 0.841 108 V CB 1.406 33.268 31.823 0.066 0.000 1.003 108 V HN 0.520 nan 8.190 nan 0.000 0.426 109 K N 3.323 123.794 120.400 0.118 0.000 2.397 109 K HA 0.829 5.149 4.320 -0.000 0.000 0.253 109 K C -0.291 176.386 176.600 0.128 0.000 0.932 109 K CA -0.455 55.883 56.287 0.086 0.000 0.795 109 K CB 2.057 34.587 32.500 0.049 0.000 1.159 109 K HN 0.772 nan 8.250 nan 0.000 0.424 110 A N 3.125 125.982 122.820 0.061 0.000 2.354 110 A HA 0.372 4.692 4.320 -0.000 0.000 0.269 110 A C -1.332 176.266 177.584 0.024 0.000 1.109 110 A CA -0.123 51.975 52.037 0.101 0.000 0.800 110 A CB 0.104 19.139 19.000 0.058 0.000 1.045 110 A HN 0.645 nan 8.150 nan 0.000 0.489 111 Y N 1.565 121.877 120.300 0.019 0.000 2.331 111 Y HA 0.427 4.977 4.550 -0.000 0.000 0.338 111 Y C 1.379 177.287 175.900 0.013 0.000 0.976 111 Y CA 0.103 58.213 58.100 0.017 0.000 1.137 111 Y CB 1.592 40.063 38.460 0.018 0.000 1.172 111 Y HN 0.846 nan 8.280 nan 0.000 0.478 112 A N 1.806 124.661 122.820 0.058 0.000 1.940 112 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 112 A C 2.171 179.797 177.584 0.069 0.000 1.190 112 A CA 2.743 54.807 52.037 0.045 0.000 0.647 112 A CB -1.188 17.821 19.000 0.014 0.000 0.821 112 A HN 0.836 nan 8.150 nan 0.000 0.457 113 T N -2.315 112.299 114.554 0.100 0.000 3.051 113 T HA 0.148 4.498 4.350 -0.000 0.000 0.269 113 T C 1.029 175.773 174.700 0.072 0.000 1.127 113 T CA 1.248 63.395 62.100 0.078 0.000 1.107 113 T CB -0.295 68.625 68.868 0.086 0.000 0.898 113 T HN 0.342 nan 8.240 nan 0.000 0.517 114 L N 0.042 121.326 121.223 0.102 0.000 3.066 114 L HA 0.445 4.785 4.340 -0.000 0.000 0.265 114 L C 1.453 178.364 176.870 0.067 0.000 1.232 114 L CA -0.168 54.717 54.840 0.075 0.000 1.031 114 L CB 0.046 42.151 42.059 0.077 0.000 1.379 114 L HN 0.157 nan 8.230 nan 0.000 0.563 115 L N 0.012 121.271 121.223 0.060 0.000 2.465 115 L HA -0.095 4.245 4.340 -0.000 0.000 0.224 115 L C 2.055 178.945 176.870 0.033 0.000 1.145 115 L CA 0.685 55.553 54.840 0.046 0.000 0.834 115 L CB -0.323 41.758 42.059 0.037 0.000 0.944 115 L HN 0.414 nan 8.230 nan 0.000 0.451 116 N N 0.934 119.651 118.700 0.028 0.000 2.171 116 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 116 N C 1.705 177.226 175.510 0.018 0.000 1.021 116 N CA 1.299 54.361 53.050 0.020 0.000 0.854 116 N CB 0.008 38.504 38.487 0.015 0.000 0.994 116 N HN 0.226 nan 8.380 nan 0.000 0.426 117 A N -0.643 122.189 122.820 0.020 0.000 2.239 117 A HA 0.125 4.445 4.320 -0.000 0.000 0.209 117 A C 0.894 178.490 177.584 0.021 0.000 1.171 117 A CA 0.136 52.183 52.037 0.017 0.000 0.768 117 A CB -0.524 18.484 19.000 0.013 0.000 0.790 117 A HN 0.308 nan 8.150 nan 0.000 0.478 118 S N -0.312 115.404 115.700 0.026 0.000 2.562 118 S HA 0.420 4.890 4.470 -0.000 0.000 0.275 118 S C -1.413 173.201 174.600 0.023 0.000 1.281 118 S CA -1.273 56.944 58.200 0.028 0.000 1.045 118 S CB 0.986 64.207 63.200 0.034 0.000 0.962 118 S HN 0.131 nan 8.310 nan 0.000 0.503 119 P HA 0.048 nan 4.420 nan 0.000 0.217 119 P C -0.079 177.232 177.300 0.018 0.000 1.150 119 P CA 0.805 63.916 63.100 0.019 0.000 0.832 119 P CB 0.011 31.723 31.700 0.020 0.000 0.787 120 L N -0.578 120.658 121.223 0.021 0.000 2.466 120 L HA 0.160 4.500 4.340 -0.000 0.000 0.257 120 L C 0.720 177.600 176.870 0.017 0.000 1.189 120 L CA -0.609 54.242 54.840 0.019 0.000 0.813 120 L CB 0.007 42.080 42.059 0.023 0.000 1.118 120 L HN -0.168 nan 8.230 nan 0.000 0.471 121 K N 0.973 121.381 120.400 0.013 0.000 2.276 121 K HA 0.213 4.533 4.320 -0.000 0.000 0.283 121 K C 0.829 177.435 176.600 0.011 0.000 1.044 121 K CA -0.539 55.754 56.287 0.011 0.000 0.944 121 K CB 1.254 33.759 32.500 0.007 0.000 1.012 121 K HN 0.448 nan 8.250 nan 0.000 0.472 122 R N 2.023 122.530 120.500 0.011 0.000 2.265 122 R HA -0.310 4.030 4.340 -0.000 0.000 0.256 122 R C 1.323 177.628 176.300 0.007 0.000 1.120 122 R CA 2.330 58.437 56.100 0.011 0.000 0.956 122 R CB -0.278 30.027 30.300 0.009 0.000 0.925 122 R HN 0.639 nan 8.270 nan 0.000 0.448 123 E N -0.431 119.771 120.200 0.004 0.000 2.333 123 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 123 E C 1.902 178.502 176.600 -0.001 0.000 1.007 123 E CA 0.922 57.321 56.400 -0.001 0.000 0.845 123 E CB -0.019 29.680 29.700 -0.003 0.000 0.766 123 E HN 0.264 nan 8.360 nan 0.000 0.507 124 R N -0.173 120.329 120.500 0.004 0.000 2.128 124 R HA 0.147 4.487 4.340 -0.000 0.000 0.211 124 R C 2.230 178.538 176.300 0.013 0.000 1.067 124 R CA 0.621 56.724 56.100 0.005 0.000 1.010 124 R CB -0.502 29.803 30.300 0.009 0.000 0.922 124 R HN 0.209 nan 8.270 nan 0.000 0.457 125 V N 1.342 121.267 119.914 0.018 0.000 2.949 125 V HA 0.040 4.160 4.120 -0.000 0.000 0.245 125 V C 0.806 176.914 176.094 0.024 0.000 1.086 125 V CA 0.222 62.539 62.300 0.028 0.000 1.097 125 V CB 0.075 31.919 31.823 0.034 0.000 0.762 125 V HN 0.222 nan 8.190 nan 0.000 0.470 126 E N 0.946 121.155 120.200 0.015 0.000 2.415 126 E HA -0.043 4.307 4.350 -0.000 0.000 0.263 126 E C 0.503 177.103 176.600 -0.000 0.000 0.995 126 E CA 0.632 57.036 56.400 0.007 0.000 0.915 126 E CB 0.105 29.807 29.700 0.003 0.000 0.951 126 E HN 0.585 nan 8.360 nan 0.000 0.449 127 N N 1.375 120.070 118.700 -0.008 0.000 2.949 127 N HA -0.169 4.571 4.740 -0.000 0.000 0.192 127 N C -0.634 174.875 175.510 -0.001 0.000 0.979 127 N CA 0.772 53.815 53.050 -0.012 0.000 1.027 127 N CB -1.210 37.270 38.487 -0.012 0.000 0.992 127 N HN 0.276 nan 8.380 nan 0.000 0.567 128 V N 2.131 122.053 119.914 0.014 0.000 2.617 128 V HA 0.135 4.255 4.120 -0.000 0.000 0.304 128 V C 0.497 176.609 176.094 0.031 0.000 1.040 128 V CA 0.967 63.289 62.300 0.036 0.000 1.149 128 V CB 1.035 32.891 31.823 0.054 0.000 0.914 128 V HN 0.315 nan 8.190 nan 0.000 0.487 129 D N 4.135 124.561 120.400 0.044 0.000 2.752 129 D HA 0.374 5.014 4.640 -0.000 0.000 0.242 129 D C -0.814 175.522 176.300 0.061 0.000 1.295 129 D CA -0.485 53.539 54.000 0.040 0.000 0.846 129 D CB 0.384 41.192 40.800 0.014 0.000 1.454 129 D HN 0.337 nan 8.370 nan 0.000 0.535 130 L N -0.384 120.883 121.223 0.074 0.000 2.235 130 L HA 0.977 5.317 4.340 -0.000 0.000 0.260 130 L C -1.078 175.824 176.870 0.053 0.000 1.025 130 L CA -1.080 53.806 54.840 0.076 0.000 0.836 130 L CB 1.557 43.678 42.059 0.103 0.000 1.395 130 L HN -0.076 nan 8.230 nan 0.000 0.443 131 V N 1.143 121.074 119.914 0.027 0.000 2.655 131 V HA 0.454 4.574 4.120 -0.000 0.000 0.301 131 V C -0.492 175.583 176.094 -0.031 0.000 1.082 131 V CA -0.239 62.070 62.300 0.015 0.000 0.899 131 V CB 1.590 33.431 31.823 0.030 0.000 1.014 131 V HN 0.674 nan 8.190 nan 0.000 0.429 132 I N 4.673 125.221 120.570 -0.036 0.000 2.353 132 I HA 0.499 4.669 4.170 -0.000 0.000 0.293 132 I C -0.515 175.574 176.117 -0.047 0.000 0.992 132 I CA -0.697 60.565 61.300 -0.063 0.000 1.268 132 I CB 1.874 39.835 38.000 -0.065 0.000 1.387 132 I HN 0.305 nan 8.210 nan 0.000 0.478 133 V N 7.093 126.979 119.914 -0.047 0.000 2.417 133 V HA 0.500 4.620 4.120 -0.000 0.000 0.291 133 V C -0.034 176.067 176.094 0.011 0.000 1.024 133 V CA -0.725 61.559 62.300 -0.027 0.000 0.861 133 V CB 1.714 33.517 31.823 -0.033 0.000 0.985 133 V HN 0.712 nan 8.190 nan 0.000 0.436 134 R N 2.910 123.423 120.500 0.021 0.000 2.670 134 R HA 0.449 4.789 4.340 -0.000 0.000 0.289 134 R C -0.614 175.735 176.300 0.082 0.000 0.965 134 R CA -0.638 55.487 56.100 0.041 0.000 0.899 134 R CB 1.857 32.162 30.300 0.009 0.000 1.173 134 R HN 0.714 nan 8.270 nan 0.000 0.456 135 E N 4.010 124.283 120.200 0.122 0.000 2.354 135 E HA 0.080 4.430 4.350 -0.000 0.000 0.269 135 E C 0.112 176.768 176.600 0.093 0.000 1.036 135 E CA 0.082 56.586 56.400 0.173 0.000 0.876 135 E CB 1.265 31.124 29.700 0.266 0.000 1.009 135 E HN 0.673 nan 8.360 nan 0.000 0.416 136 L N 1.932 123.211 121.223 0.092 0.000 2.653 136 L HA 0.009 4.349 4.340 -0.000 0.000 0.230 136 L C 2.209 178.996 176.870 -0.139 0.000 1.055 136 L CA 0.723 55.578 54.840 0.025 0.000 0.880 136 L CB -0.062 42.037 42.059 0.067 0.000 1.195 136 L HN 0.535 nan 8.230 nan 0.000 0.492 137 T N -2.348 112.094 114.554 -0.187 0.000 3.023 137 T HA 0.156 4.506 4.350 -0.000 0.000 0.266 137 T C 0.893 175.000 174.700 -0.989 0.000 1.093 137 T CA 0.693 62.494 62.100 -0.499 0.000 1.129 137 T CB -0.041 68.693 68.868 -0.223 0.000 0.899 137 T HN 0.259 nan 8.240 nan 0.000 0.491 138 G N -1.395 106.977 108.800 -0.714 0.000 3.022 138 G HA2 0.668 4.628 3.960 -0.000 0.000 0.284 138 G HA3 0.668 4.628 3.960 -0.000 0.000 0.284 138 G C -0.092 174.292 174.900 -0.859 0.000 1.375 138 G CA -0.409 44.163 45.100 -0.879 0.000 0.902 138 G HN 0.997 nan 8.290 nan 0.000 0.538 139 G N -1.754 106.476 108.800 -0.949 0.000 2.306 139 G HA2 0.201 4.161 3.960 -0.000 0.000 0.262 139 G HA3 0.201 4.161 3.960 -0.000 0.000 0.262 139 G C 0.369 175.220 174.900 -0.082 0.000 1.263 139 G CA 0.176 44.960 45.100 -0.526 0.000 1.088 139 G HN 1.435 nan 8.290 nan 0.000 0.489 140 L N -0.278 120.988 121.223 0.071 0.000 2.217 140 L HA 0.234 4.574 4.340 -0.000 0.000 0.211 140 L C 2.636 179.666 176.870 0.267 0.000 1.107 140 L CA 1.935 56.868 54.840 0.156 0.000 0.783 140 L CB -0.837 41.316 42.059 0.156 0.000 0.919 140 L HN 0.583 nan 8.230 nan 0.000 0.442 141 Y N -1.861 118.480 120.300 0.068 0.000 2.352 141 Y HA -0.134 4.416 4.550 0.000 0.000 0.292 141 Y C 1.913 177.743 175.900 -0.117 0.000 1.136 141 Y CA 0.904 59.011 58.100 0.011 0.000 1.227 141 Y CB -0.548 37.969 38.460 0.095 0.000 0.991 141 Y HN 0.147 nan 8.280 nan 0.000 0.545 142 F N -1.543 118.442 119.950 0.058 0.000 2.680 142 F HA 0.375 4.902 4.527 0.000 0.000 0.290 142 F C 1.783 177.560 175.800 -0.038 0.000 1.114 142 F CA -0.460 57.535 58.000 -0.009 0.000 1.333 142 F CB -0.723 38.251 39.000 -0.045 0.000 1.091 142 F HN -0.220 nan 8.300 nan 0.000 0.606 143 G N 2.378 111.258 108.800 0.133 0.000 2.353 143 G HA2 0.338 4.298 3.960 -0.000 0.000 0.239 143 G HA3 0.338 4.298 3.960 -0.000 0.000 0.239 143 G C 0.076 174.992 174.900 0.027 0.000 1.295 143 G CA -0.290 44.839 45.100 0.048 0.000 0.884 143 G HN -0.067 nan 8.290 nan 0.000 0.537 144 R N 2.081 122.592 120.500 0.019 0.000 2.854 144 R HA 0.457 4.797 4.340 -0.000 0.000 0.271 144 R C -2.288 174.016 176.300 0.005 0.000 0.996 144 R CA -1.745 54.359 56.100 0.007 0.000 0.961 144 R CB 1.788 32.092 30.300 0.006 0.000 1.182 144 R HN 0.474 nan 8.270 nan 0.000 0.479 145 P HA 0.068 nan 4.420 nan 0.000 0.269 145 P C -0.612 176.684 177.300 -0.007 0.000 1.215 145 P CA -0.103 62.995 63.100 -0.003 0.000 0.780 145 P CB 0.860 32.559 31.700 -0.003 0.000 0.898 146 S N 0.690 116.382 115.700 -0.014 0.000 2.496 146 S HA 0.318 4.788 4.470 -0.000 0.000 0.221 146 S C -0.602 173.984 174.600 -0.023 0.000 1.260 146 S CA -0.579 57.608 58.200 -0.022 0.000 1.181 146 S CB -0.053 63.127 63.200 -0.033 0.000 1.136 146 S HN 0.664 nan 8.310 nan 0.000 0.467 147 E N 2.541 122.730 120.200 -0.018 0.000 2.425 147 E HA 0.502 4.852 4.350 -0.000 0.000 0.272 147 E C -1.337 175.255 176.600 -0.015 0.000 1.061 147 E CA -1.248 55.141 56.400 -0.017 0.000 0.877 147 E CB 1.106 30.798 29.700 -0.014 0.000 1.590 147 E HN 0.339 nan 8.360 nan 0.000 0.462 148 R N 0.095 120.587 120.500 -0.013 0.000 2.637 148 R HA 0.580 4.920 4.340 -0.000 0.000 0.291 148 R C -0.626 175.669 176.300 -0.008 0.000 0.963 148 R CA -0.864 55.229 56.100 -0.011 0.000 0.901 148 R CB 2.036 32.329 30.300 -0.012 0.000 1.160 148 R HN 0.374 nan 8.270 nan 0.000 0.457 149 R N 0.725 121.221 120.500 -0.007 0.000 2.435 149 R HA 0.286 4.626 4.340 -0.000 0.000 0.308 149 R C 0.218 176.516 176.300 -0.004 0.000 0.975 149 R CA -0.510 55.587 56.100 -0.005 0.000 0.867 149 R CB 2.031 32.328 30.300 -0.004 0.000 1.171 149 R HN 0.805 nan 8.270 nan 0.000 0.470 150 G N 3.282 112.079 108.800 -0.004 0.000 2.527 150 G HA2 0.093 4.053 3.960 -0.000 0.000 0.279 150 G HA3 0.093 4.053 3.960 -0.000 0.000 0.279 150 G C -1.771 173.127 174.900 -0.003 0.000 1.374 150 G CA -0.688 44.410 45.100 -0.004 0.000 1.053 150 G HN 0.374 nan 8.290 nan 0.000 0.539 151 P HA 0.110 nan 4.420 nan 0.000 0.267 151 P C 0.662 177.961 177.300 -0.003 0.000 1.200 151 P CA 1.094 64.193 63.100 -0.003 0.000 0.772 151 P CB 0.358 32.056 31.700 -0.002 0.000 0.855 152 G N 3.124 111.922 108.800 -0.003 0.000 2.424 152 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.294 152 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.294 152 G C 0.312 175.209 174.900 -0.005 0.000 0.939 152 G CA 0.763 45.860 45.100 -0.004 0.000 1.143 152 G HN 0.837 nan 8.290 nan 0.000 0.507 153 E N -1.460 118.737 120.200 -0.005 0.000 1.822 153 E HA -0.348 4.002 4.350 -0.000 0.000 0.168 153 E C 0.490 177.087 176.600 -0.006 0.000 1.351 153 E CA 1.071 57.467 56.400 -0.006 0.000 0.547 153 E CB -1.760 27.935 29.700 -0.008 0.000 1.036 153 E HN 1.057 nan 8.360 nan 0.000 0.280 154 N N 1.452 120.150 118.700 -0.004 0.000 2.279 154 N HA 0.039 4.779 4.740 -0.000 0.000 0.226 154 N C -0.461 175.047 175.510 -0.003 0.000 1.126 154 N CA -0.412 52.636 53.050 -0.004 0.000 0.846 154 N CB 0.846 39.331 38.487 -0.003 0.000 1.050 154 N HN 0.455 nan 8.380 nan 0.000 0.502 155 E N 0.458 120.656 120.200 -0.004 0.000 2.406 155 E HA 0.206 4.556 4.350 -0.000 0.000 0.297 155 E C -2.131 174.465 176.600 -0.005 0.000 0.917 155 E CA -0.690 55.708 56.400 -0.004 0.000 0.795 155 E CB 2.134 31.832 29.700 -0.002 0.000 1.285 155 E HN 0.008 nan 8.360 nan 0.000 0.400 156 V N 4.035 123.945 119.914 -0.006 0.000 2.960 156 V HA 0.828 4.948 4.120 -0.000 0.000 0.315 156 V C -0.992 175.098 176.094 -0.007 0.000 1.087 156 V CA -0.354 61.941 62.300 -0.008 0.000 0.982 156 V CB 1.942 33.758 31.823 -0.012 0.000 1.039 156 V HN 0.511 nan 8.190 nan 0.000 0.437 157 V N 1.403 121.312 119.914 -0.009 0.000 2.971 157 V HA 0.784 4.904 4.120 -0.000 0.000 0.309 157 V C -1.494 174.594 176.094 -0.010 0.000 1.130 157 V CA -0.622 61.674 62.300 -0.006 0.000 0.964 157 V CB 2.241 34.063 31.823 -0.003 0.000 1.029 157 V HN 0.837 nan 8.190 nan 0.000 0.427 158 D N 1.452 121.848 120.400 -0.006 0.000 2.738 158 D HA 0.635 5.275 4.640 -0.000 0.000 0.237 158 D C -0.968 175.333 176.300 0.002 0.000 1.123 158 D CA -0.138 53.857 54.000 -0.008 0.000 0.856 158 D CB 2.629 43.422 40.800 -0.012 0.000 1.552 158 D HN 0.807 nan 8.370 nan 0.000 0.480 159 T N 1.688 116.245 114.554 0.005 0.000 2.786 159 T HA 0.287 4.637 4.350 -0.000 0.000 0.283 159 T C -0.263 174.445 174.700 0.014 0.000 0.992 159 T CA -0.579 61.527 62.100 0.010 0.000 0.954 159 T CB 1.003 69.876 68.868 0.008 0.000 0.934 159 T HN 0.099 nan 8.240 nan 0.000 0.440 160 L N 4.333 125.564 121.223 0.013 0.000 2.259 160 L HA 0.770 5.110 4.340 -0.000 0.000 0.288 160 L C -0.334 176.534 176.870 -0.002 0.000 1.051 160 L CA -0.841 54.002 54.840 0.004 0.000 0.824 160 L CB -0.623 41.444 42.059 0.014 0.000 1.206 160 L HN 0.720 nan 8.230 nan 0.000 0.429 161 A N 4.804 127.582 122.820 -0.069 0.000 2.343 161 A HA 0.762 5.082 4.320 -0.000 0.000 0.316 161 A C -1.580 175.872 177.584 -0.220 0.000 1.104 161 A CA -0.360 51.635 52.037 -0.070 0.000 0.768 161 A CB 0.696 19.670 19.000 -0.043 0.000 1.213 161 A HN 0.661 nan 8.150 nan 0.000 0.456 162 Y N -0.213 120.087 120.300 -0.001 0.000 2.638 162 Y HA 0.709 5.259 4.550 0.000 0.000 0.339 162 Y C 0.538 176.425 175.900 -0.022 0.000 1.084 162 Y CA -0.110 57.981 58.100 -0.015 0.000 1.068 162 Y CB 2.626 41.096 38.460 0.017 0.000 1.294 162 Y HN 0.804 nan 8.280 nan 0.000 0.480 163 T N -1.869 112.798 114.554 0.189 0.000 2.893 163 T HA 0.338 4.688 4.350 -0.000 0.000 0.293 163 T C 0.687 175.404 174.700 0.029 0.000 1.027 163 T CA -0.944 61.197 62.100 0.068 0.000 0.988 163 T CB 1.977 70.855 68.868 0.017 0.000 1.043 163 T HN 0.796 nan 8.240 nan 0.000 0.461 164 R N 1.179 121.675 120.500 -0.006 0.000 2.165 164 R HA -0.233 4.107 4.340 -0.000 0.000 0.254 164 R C 1.928 178.175 176.300 -0.090 0.000 1.153 164 R CA 2.327 58.396 56.100 -0.051 0.000 0.971 164 R CB -0.321 29.952 30.300 -0.046 0.000 0.878 164 R HN 0.876 nan 8.270 nan 0.000 0.449 165 E N 0.280 120.434 120.200 -0.077 0.000 2.085 165 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 165 E C 1.751 178.249 176.600 -0.171 0.000 0.994 165 E CA 1.832 58.165 56.400 -0.112 0.000 0.801 165 E CB -0.010 29.636 29.700 -0.090 0.000 0.743 165 E HN 0.566 nan 8.360 nan 0.000 0.453 166 E N -0.006 120.122 120.200 -0.120 0.000 2.153 166 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 166 E C 2.119 178.598 176.600 -0.202 0.000 0.988 166 E CA 0.671 56.994 56.400 -0.128 0.000 0.811 166 E CB 0.080 29.835 29.700 0.093 0.000 0.746 166 E HN 0.284 nan 8.360 nan 0.000 0.466 167 I N 1.391 121.821 120.570 -0.233 0.000 2.235 167 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 167 I C 2.167 178.026 176.117 -0.430 0.000 1.085 167 I CA 1.156 62.196 61.300 -0.434 0.000 1.378 167 I CB -1.124 36.612 38.000 -0.440 0.000 1.076 167 I HN 0.111 nan 8.210 nan 0.000 0.415 168 E N 1.390 121.413 120.200 -0.295 0.000 2.033 168 E HA -0.274 4.076 4.350 -0.000 0.000 0.199 168 E C 2.186 178.660 176.600 -0.210 0.000 1.011 168 E CA 1.834 58.100 56.400 -0.224 0.000 0.815 168 E CB -0.395 29.215 29.700 -0.150 0.000 0.755 168 E HN 0.546 nan 8.360 nan 0.000 0.451 169 R N 0.910 121.252 120.500 -0.263 0.000 2.083 169 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 169 R C 2.403 178.585 176.300 -0.197 0.000 1.137 169 R CA 1.742 57.672 56.100 -0.283 0.000 0.951 169 R CB -0.795 29.159 30.300 -0.576 0.000 0.851 169 R HN 0.156 nan 8.270 nan 0.000 0.434 170 I N 1.332 121.738 120.570 -0.274 0.000 2.286 170 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 170 I C 2.162 178.248 176.117 -0.051 0.000 1.115 170 I CA 1.196 62.482 61.300 -0.024 0.000 1.392 170 I CB -0.026 37.955 38.000 -0.032 0.000 1.065 170 I HN 0.255 nan 8.210 nan 0.000 0.418 171 I N -0.157 120.294 120.570 -0.199 0.000 2.353 171 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 171 I C 2.410 178.535 176.117 0.014 0.000 1.119 171 I CA 0.830 62.031 61.300 -0.165 0.000 1.417 171 I CB -0.532 37.287 38.000 -0.302 0.000 1.078 171 I HN 0.253 nan 8.210 nan 0.000 0.421 172 E N 1.247 121.469 120.200 0.035 0.000 2.023 172 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 172 E C 2.068 178.702 176.600 0.057 0.000 1.003 172 E CA 1.553 58.018 56.400 0.109 0.000 0.809 172 E CB -0.151 29.606 29.700 0.094 0.000 0.755 172 E HN 0.165 nan 8.360 nan 0.000 0.449 173 K N 0.614 121.054 120.400 0.066 0.000 2.113 173 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 173 K C 1.829 178.396 176.600 -0.054 0.000 1.047 173 K CA 1.473 57.780 56.287 0.034 0.000 0.928 173 K CB -0.479 32.085 32.500 0.108 0.000 0.716 173 K HN 0.130 nan 8.250 nan 0.000 0.446 174 A N -0.703 122.076 122.820 -0.068 0.000 1.930 174 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 174 A C 2.039 179.481 177.584 -0.236 0.000 1.175 174 A CA 1.270 53.216 52.037 -0.151 0.000 0.627 174 A CB -0.709 18.191 19.000 -0.166 0.000 0.815 174 A HN 0.335 nan 8.150 nan 0.000 0.443 175 F N 0.320 120.083 119.950 -0.313 0.000 2.259 175 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 175 F C 2.694 178.136 175.800 -0.597 0.000 1.088 175 F CA 1.674 59.344 58.000 -0.551 0.000 1.358 175 F CB -0.283 38.124 39.000 -0.988 0.000 1.040 175 F HN 0.315 nan 8.300 nan 0.000 0.505 176 Q N -0.344 119.301 119.800 -0.258 0.000 2.119 176 Q HA -0.174 4.166 4.340 -0.000 0.000 0.201 176 Q C 2.355 178.318 176.000 -0.060 0.000 0.972 176 Q CA 1.081 56.817 55.803 -0.112 0.000 0.847 176 Q CB -0.288 28.441 28.738 -0.014 0.000 0.903 176 Q HN 0.425 nan 8.270 nan 0.000 0.433 177 L N 0.510 121.673 121.223 -0.101 0.000 1.988 177 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 177 L C 2.279 179.124 176.870 -0.043 0.000 1.071 177 L CA 1.565 56.351 54.840 -0.091 0.000 0.744 177 L CB -0.716 41.244 42.059 -0.165 0.000 0.893 177 L HN 0.207 nan 8.230 nan 0.000 0.433 178 A N -0.445 122.328 122.820 -0.078 0.000 1.958 178 A HA -0.339 3.981 4.320 -0.000 0.000 0.221 178 A C 2.171 179.760 177.584 0.009 0.000 1.178 178 A CA 2.219 54.227 52.037 -0.049 0.000 0.642 178 A CB -0.705 18.229 19.000 -0.111 0.000 0.816 178 A HN 0.703 nan 8.150 nan 0.000 0.453 179 Q N -0.456 119.357 119.800 0.021 0.000 2.046 179 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 179 Q C 1.820 177.862 176.000 0.070 0.000 0.975 179 Q CA 1.856 57.703 55.803 0.073 0.000 0.836 179 Q CB -0.327 28.480 28.738 0.115 0.000 0.896 179 Q HN 0.855 nan 8.270 nan 0.000 0.428 180 I N -1.657 118.952 120.570 0.066 0.000 3.176 180 I HA -0.031 4.139 4.170 -0.000 0.000 0.275 180 I C 1.018 177.177 176.117 0.071 0.000 1.298 180 I CA 0.624 61.969 61.300 0.076 0.000 1.445 180 I CB -0.100 37.957 38.000 0.095 0.000 1.075 180 I HN -0.002 nan 8.210 nan 0.000 0.482 181 R N 1.075 121.611 120.500 0.061 0.000 1.961 181 R HA 0.464 4.804 4.340 -0.000 0.000 0.114 181 R C 0.818 177.145 176.300 0.044 0.000 1.571 181 R CA -0.718 55.415 56.100 0.055 0.000 1.654 181 R CB -0.111 30.220 30.300 0.052 0.000 1.262 181 R HN 0.031 nan 8.270 nan 0.000 0.547 182 R N 1.200 121.722 120.500 0.037 0.000 2.568 182 R HA 0.098 4.438 4.340 -0.000 0.000 0.288 182 R C -0.639 175.681 176.300 0.034 0.000 1.077 182 R CA -0.091 56.029 56.100 0.033 0.000 1.102 182 R CB 0.071 30.387 30.300 0.028 0.000 1.278 182 R HN 0.262 nan 8.270 nan 0.000 0.560 183 K N 1.268 121.693 120.400 0.041 0.000 3.490 183 K HA -0.220 4.100 4.320 -0.000 0.000 0.273 183 K C -0.877 175.747 176.600 0.040 0.000 0.916 183 K CA 1.064 57.383 56.287 0.053 0.000 0.718 183 K CB -0.861 31.678 32.500 0.066 0.000 1.477 183 K HN 0.188 nan 8.250 nan 0.000 0.452 184 K N 0.830 121.238 120.400 0.015 0.000 2.695 184 K HA 0.333 4.653 4.320 -0.000 0.000 0.255 184 K C -1.634 174.945 176.600 -0.035 0.000 1.016 184 K CA -0.865 55.424 56.287 0.004 0.000 0.928 184 K CB 1.032 33.544 32.500 0.020 0.000 1.235 184 K HN 0.071 nan 8.250 nan 0.000 0.467 185 L N 2.678 123.845 121.223 -0.094 0.000 2.333 185 L HA 0.713 5.053 4.340 -0.000 0.000 0.280 185 L C -1.241 175.543 176.870 -0.143 0.000 1.004 185 L CA -0.237 54.491 54.840 -0.186 0.000 0.820 185 L CB 1.764 43.544 42.059 -0.464 0.000 1.247 185 L HN 0.633 nan 8.230 nan 0.000 0.416 186 A N 3.206 125.977 122.820 -0.083 0.000 2.271 186 A HA 0.661 4.981 4.320 -0.000 0.000 0.317 186 A C -0.440 177.109 177.584 -0.058 0.000 1.245 186 A CA -0.402 51.612 52.037 -0.037 0.000 0.857 186 A CB 0.911 19.962 19.000 0.084 0.000 1.175 186 A HN 0.696 nan 8.150 nan 0.000 0.512 187 S N 2.422 118.107 115.700 -0.026 0.000 2.410 187 S HA 0.476 4.946 4.470 -0.000 0.000 0.304 187 S C -0.494 174.196 174.600 0.149 0.000 1.095 187 S CA -0.387 57.903 58.200 0.150 0.000 1.089 187 S CB -0.005 63.369 63.200 0.289 0.000 0.968 187 S HN 0.639 nan 8.310 nan 0.000 0.480 188 V N 6.542 126.470 119.914 0.023 0.000 2.350 188 V HA 0.462 4.582 4.120 -0.000 0.000 0.276 188 V C -0.125 175.814 176.094 -0.259 0.000 1.028 188 V CA -0.556 61.675 62.300 -0.116 0.000 0.860 188 V CB 0.838 32.554 31.823 -0.178 0.000 0.990 188 V HN 1.002 nan 8.190 nan 0.000 0.453 189 D N 4.011 124.292 120.400 -0.197 0.000 2.958 189 D HA 0.576 5.216 4.640 -0.000 0.000 0.306 189 D C -0.268 175.994 176.300 -0.063 0.000 1.226 189 D CA -0.899 53.014 54.000 -0.145 0.000 1.032 189 D CB 1.345 42.025 40.800 -0.199 0.000 1.400 189 D HN 0.174 nan 8.370 nan 0.000 0.587 190 K N -1.161 119.280 120.400 0.068 0.000 3.054 190 K HA 0.575 4.895 4.320 -0.000 0.000 0.203 190 K C 0.606 177.236 176.600 0.050 0.000 1.126 190 K CA 0.161 56.481 56.287 0.055 0.000 1.023 190 K CB 0.174 32.783 32.500 0.182 0.000 0.722 190 K HN 0.474 nan 8.250 nan 0.000 0.441 191 A N 0.883 123.719 122.820 0.027 0.000 2.042 191 A HA -0.268 4.052 4.320 -0.000 0.000 0.222 191 A C 1.521 179.117 177.584 0.019 0.000 1.167 191 A CA 2.071 54.123 52.037 0.025 0.000 0.649 191 A CB -0.989 18.015 19.000 0.006 0.000 0.809 191 A HN 0.792 nan 8.150 nan 0.000 0.457 192 N N -1.481 117.227 118.700 0.014 0.000 2.521 192 N HA 0.079 4.819 4.740 -0.000 0.000 0.188 192 N C 0.667 176.188 175.510 0.020 0.000 1.146 192 N CA 0.903 53.961 53.050 0.012 0.000 0.893 192 N CB 0.223 38.714 38.487 0.007 0.000 0.975 192 N HN 0.238 nan 8.380 nan 0.000 0.451 193 V N -0.310 119.622 119.914 0.030 0.000 3.151 193 V HA 0.212 4.332 4.120 -0.000 0.000 0.235 193 V C 0.237 176.355 176.094 0.040 0.000 1.501 193 V CA -0.112 62.209 62.300 0.035 0.000 1.211 193 V CB 0.425 32.272 31.823 0.041 0.000 1.049 193 V HN 0.123 nan 8.190 nan 0.000 0.455 194 L N 1.002 122.255 121.223 0.049 0.000 2.309 194 L HA 0.491 4.831 4.340 -0.000 0.000 0.282 194 L C 1.370 178.269 176.870 0.048 0.000 1.036 194 L CA -0.194 54.675 54.840 0.048 0.000 0.806 194 L CB 1.583 43.672 42.059 0.052 0.000 1.220 194 L HN 0.070 nan 8.230 nan 0.000 0.429 195 E N 1.136 121.363 120.200 0.047 0.000 2.204 195 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 195 E C 1.857 178.497 176.600 0.066 0.000 0.989 195 E CA 1.587 58.017 56.400 0.049 0.000 0.824 195 E CB 0.207 29.932 29.700 0.043 0.000 0.756 195 E HN 0.732 nan 8.360 nan 0.000 0.477 196 S N -1.022 114.724 115.700 0.077 0.000 2.345 196 S HA -0.098 4.372 4.470 -0.000 0.000 0.220 196 S C 2.281 176.952 174.600 0.120 0.000 1.031 196 S CA 1.154 59.419 58.200 0.108 0.000 0.996 196 S CB -0.640 62.637 63.200 0.128 0.000 0.882 196 S HN 0.147 nan 8.310 nan 0.000 0.445 197 S N 1.547 117.296 115.700 0.082 0.000 2.370 197 S HA -0.054 4.416 4.470 -0.000 0.000 0.226 197 S C 2.075 176.758 174.600 0.138 0.000 1.033 197 S CA 0.978 59.229 58.200 0.086 0.000 1.011 197 S CB -0.428 62.799 63.200 0.046 0.000 0.852 197 S HN 0.418 nan 8.310 nan 0.000 0.457 198 R N 0.589 121.143 120.500 0.089 0.000 2.080 198 R HA -0.101 4.239 4.340 -0.000 0.000 0.236 198 R C 2.477 178.827 176.300 0.083 0.000 1.137 198 R CA 1.808 57.948 56.100 0.066 0.000 0.943 198 R CB -0.578 29.749 30.300 0.044 0.000 0.846 198 R HN 0.457 nan 8.270 nan 0.000 0.431 199 M N -0.069 119.585 119.600 0.089 0.000 2.117 199 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 199 M C 2.094 178.447 176.300 0.089 0.000 1.065 199 M CA 1.715 57.055 55.300 0.068 0.000 1.114 199 M CB -0.433 32.201 32.600 0.057 0.000 1.361 199 M HN 0.333 nan 8.290 nan 0.000 0.408 200 W N 1.490 122.755 121.300 -0.059 0.000 2.318 200 W HA -0.272 4.388 4.660 0.000 0.000 0.313 200 W C 2.245 178.752 176.519 -0.021 0.000 1.221 200 W CA 2.139 59.441 57.345 -0.072 0.000 1.266 200 W CB -0.737 28.669 29.460 -0.091 0.000 1.150 200 W HN 0.321 nan 8.180 nan 0.000 0.496 201 R N 0.566 121.264 120.500 0.329 0.000 2.096 201 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 201 R C 2.303 178.642 176.300 0.065 0.000 1.127 201 R CA 2.057 58.266 56.100 0.181 0.000 0.968 201 R CB -0.319 29.981 30.300 -0.001 0.000 0.861 201 R HN 0.238 nan 8.270 nan 0.000 0.440 202 E N 0.382 120.602 120.200 0.034 0.000 2.015 202 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 202 E C 2.082 178.685 176.600 0.006 0.000 0.991 202 E CA 1.564 57.973 56.400 0.015 0.000 0.802 202 E CB -0.214 29.489 29.700 0.005 0.000 0.759 202 E HN 0.338 nan 8.360 nan 0.000 0.447 203 I N 1.481 122.026 120.570 -0.042 0.000 2.185 203 I HA -0.354 3.816 4.170 -0.000 0.000 0.246 203 I C 2.564 178.646 176.117 -0.058 0.000 1.088 203 I CA 1.219 62.466 61.300 -0.089 0.000 1.347 203 I CB -0.423 37.463 38.000 -0.190 0.000 1.041 203 I HN 0.130 nan 8.210 nan 0.000 0.415 204 A N 0.108 122.905 122.820 -0.038 0.000 1.898 204 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 204 A C 2.202 179.922 177.584 0.227 0.000 1.181 204 A CA 1.842 53.945 52.037 0.109 0.000 0.620 204 A CB -0.481 18.625 19.000 0.178 0.000 0.819 204 A HN 0.378 nan 8.150 nan 0.000 0.442 205 E N 0.256 120.572 120.200 0.193 0.000 2.204 205 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 205 E C 1.873 178.525 176.600 0.085 0.000 0.989 205 E CA 1.494 58.000 56.400 0.176 0.000 0.824 205 E CB -0.131 29.657 29.700 0.146 0.000 0.756 205 E HN 0.757 nan 8.360 nan 0.000 0.477 206 E N -0.967 119.259 120.200 0.043 0.000 2.051 206 E HA -0.079 4.271 4.350 -0.000 0.000 0.189 206 E C 1.997 178.576 176.600 -0.035 0.000 0.979 206 E CA 1.433 57.831 56.400 -0.003 0.000 0.803 206 E CB -0.102 29.587 29.700 -0.018 0.000 0.761 206 E HN 0.185 nan 8.360 nan 0.000 0.451 207 T N 1.517 116.057 114.554 -0.023 0.000 2.759 207 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 207 T C 2.052 176.583 174.700 -0.281 0.000 1.042 207 T CA 1.160 63.210 62.100 -0.083 0.000 1.140 207 T CB -0.282 68.602 68.868 0.028 0.000 0.864 207 T HN 0.243 nan 8.240 nan 0.000 0.455 208 A N 1.696 124.373 122.820 -0.239 0.000 2.139 208 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 208 A C 2.214 179.673 177.584 -0.208 0.000 1.159 208 A CA 1.259 53.106 52.037 -0.318 0.000 0.662 208 A CB -0.329 18.737 19.000 0.110 0.000 0.796 208 A HN 0.242 nan 8.150 nan 0.000 0.463 209 K N 0.055 120.361 120.400 -0.158 0.000 2.103 209 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 209 K C 1.866 178.339 176.600 -0.211 0.000 1.052 209 K CA 1.559 57.766 56.287 -0.134 0.000 0.945 209 K CB -0.369 32.072 32.500 -0.099 0.000 0.722 209 K HN 0.668 nan 8.250 nan 0.000 0.443 210 K N 0.084 120.289 120.400 -0.325 0.000 2.283 210 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 210 K C -0.056 176.102 176.600 -0.737 0.000 1.048 210 K CA 0.945 56.910 56.287 -0.537 0.000 0.948 210 K CB 0.172 32.255 32.500 -0.695 0.000 0.742 210 K HN 0.072 nan 8.250 nan 0.000 0.458 211 Y N 0.757 120.861 120.300 -0.327 0.000 2.726 211 Y HA 0.248 4.798 4.550 -0.000 0.000 0.367 211 Y C -1.885 173.933 175.900 -0.137 0.000 1.038 211 Y CA -2.290 55.665 58.100 -0.241 0.000 1.174 211 Y CB 1.133 39.386 38.460 -0.345 0.000 1.265 211 Y HN 0.106 nan 8.280 nan 0.000 0.622 212 P HA -0.196 nan 4.420 nan 0.000 0.221 212 P C 0.581 177.913 177.300 0.054 0.000 1.145 212 P CA 1.624 64.730 63.100 0.010 0.000 0.795 212 P CB 0.427 32.114 31.700 -0.022 0.000 0.775 213 D N -0.526 119.923 120.400 0.081 0.000 2.323 213 D HA -0.009 4.631 4.640 -0.000 0.000 0.209 213 D C 0.692 177.065 176.300 0.121 0.000 0.973 213 D CA 0.178 54.232 54.000 0.089 0.000 0.874 213 D CB -0.503 40.349 40.800 0.087 0.000 0.930 213 D HN 0.057 nan 8.370 nan 0.000 0.521 214 V N 1.369 121.393 119.914 0.183 0.000 2.439 214 V HA 0.100 4.220 4.120 -0.000 0.000 0.282 214 V C 0.213 176.436 176.094 0.215 0.000 1.039 214 V CA -0.906 61.529 62.300 0.225 0.000 0.913 214 V CB 1.536 33.596 31.823 0.395 0.000 0.983 214 V HN 0.115 nan 8.190 nan 0.000 0.460 215 E N 4.790 125.068 120.200 0.130 0.000 2.129 215 E HA 0.275 4.625 4.350 -0.000 0.000 0.283 215 E C -0.827 175.810 176.600 0.062 0.000 1.080 215 E CA -0.682 55.771 56.400 0.088 0.000 0.867 215 E CB 1.045 30.774 29.700 0.048 0.000 1.056 215 E HN 0.542 nan 8.360 nan 0.000 0.404 216 L N 4.017 125.286 121.223 0.076 0.000 2.326 216 L HA 0.393 4.733 4.340 -0.000 0.000 0.278 216 L C -0.929 175.861 176.870 -0.133 0.000 1.092 216 L CA 0.273 55.098 54.840 -0.025 0.000 0.810 216 L CB 1.648 43.749 42.059 0.071 0.000 1.153 216 L HN 0.434 nan 8.230 nan 0.000 0.439 217 S N 3.231 118.795 115.700 -0.228 0.000 2.547 217 S HA 0.580 5.050 4.470 -0.000 0.000 0.281 217 S C -1.235 173.192 174.600 -0.289 0.000 1.118 217 S CA -0.598 57.485 58.200 -0.195 0.000 0.947 217 S CB 0.813 63.987 63.200 -0.044 0.000 1.053 217 S HN 0.645 nan 8.310 nan 0.000 0.482 218 H N 2.397 121.507 119.070 0.066 0.000 2.472 218 H HA 0.591 5.147 4.556 0.000 0.000 0.338 218 H C -0.501 174.853 175.328 0.045 0.000 1.133 218 H CA -0.436 55.650 56.048 0.063 0.000 1.216 218 H CB 1.391 31.194 29.762 0.070 0.000 1.497 218 H HN 0.407 nan 8.280 nan 0.000 0.500 219 M N 2.887 122.573 119.600 0.143 0.000 2.371 219 M HA 0.219 4.699 4.480 -0.000 0.000 0.287 219 M C -0.847 175.447 176.300 -0.010 0.000 1.149 219 M CA -0.692 54.647 55.300 0.065 0.000 0.929 219 M CB 2.959 35.599 32.600 0.067 0.000 1.683 219 M HN 0.270 nan 8.290 nan 0.000 0.470 220 L N 1.954 123.158 121.223 -0.032 0.000 2.426 220 L HA 0.129 4.469 4.340 -0.000 0.000 0.271 220 L C 1.416 178.173 176.870 -0.188 0.000 1.169 220 L CA -0.123 54.657 54.840 -0.099 0.000 0.836 220 L CB 1.012 43.031 42.059 -0.066 0.000 1.112 220 L HN 0.622 nan 8.230 nan 0.000 0.465 221 V N 2.977 122.670 119.914 -0.368 0.000 2.688 221 V HA -0.245 3.875 4.120 -0.000 0.000 0.256 221 V C 1.930 177.826 176.094 -0.331 0.000 1.084 221 V CA 2.390 64.375 62.300 -0.524 0.000 1.103 221 V CB -0.538 30.536 31.823 -1.249 0.000 0.688 221 V HN 1.067 nan 8.190 nan 0.000 0.480 222 D N -0.210 120.053 120.400 -0.229 0.000 2.149 222 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 222 D C 2.012 178.264 176.300 -0.081 0.000 0.972 222 D CA 1.512 55.433 54.000 -0.133 0.000 0.835 222 D CB -0.329 40.418 40.800 -0.089 0.000 0.966 222 D HN 0.651 nan 8.370 nan 0.000 0.476 223 S N 0.462 116.124 115.700 -0.064 0.000 2.425 223 S HA -0.065 4.405 4.470 -0.000 0.000 0.225 223 S C 2.082 176.689 174.600 0.012 0.000 1.024 223 S CA 0.786 58.975 58.200 -0.017 0.000 0.951 223 S CB -0.433 62.765 63.200 -0.003 0.000 0.796 223 S HN 0.163 nan 8.310 nan 0.000 0.498 224 T N 2.724 117.269 114.554 -0.016 0.000 2.881 224 T HA 0.062 4.412 4.350 -0.000 0.000 0.270 224 T C 2.111 176.808 174.700 -0.005 0.000 1.068 224 T CA 1.235 63.342 62.100 0.011 0.000 1.131 224 T CB -0.581 68.214 68.868 -0.122 0.000 0.871 224 T HN 0.601 nan 8.240 nan 0.000 0.479 225 A N 1.719 124.512 122.820 -0.046 0.000 1.841 225 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 225 A C 2.330 179.921 177.584 0.012 0.000 1.195 225 A CA 1.456 53.473 52.037 -0.034 0.000 0.611 225 A CB -0.683 18.285 19.000 -0.052 0.000 0.835 225 A HN 0.446 nan 8.150 nan 0.000 0.443 226 M N -0.801 118.808 119.600 0.014 0.000 2.080 226 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 226 M C 2.293 178.625 176.300 0.053 0.000 1.068 226 M CA 1.466 56.781 55.300 0.024 0.000 1.109 226 M CB -0.558 32.050 32.600 0.014 0.000 1.342 226 M HN 0.329 nan 8.290 nan 0.000 0.405 227 Q N 0.494 120.349 119.800 0.091 0.000 2.234 227 Q HA -0.068 4.272 4.340 -0.000 0.000 0.206 227 Q C 1.993 178.132 176.000 0.232 0.000 0.980 227 Q CA 1.316 57.208 55.803 0.149 0.000 0.869 227 Q CB -0.545 28.343 28.738 0.250 0.000 0.912 227 Q HN 0.596 nan 8.270 nan 0.000 0.436 228 L N -0.579 120.776 121.223 0.220 0.000 2.551 228 L HA -0.102 4.238 4.340 -0.000 0.000 0.228 228 L C 1.372 178.309 176.870 0.112 0.000 1.153 228 L CA 0.192 55.150 54.840 0.196 0.000 0.851 228 L CB 0.033 42.141 42.059 0.082 0.000 0.959 228 L HN 0.135 nan 8.230 nan 0.000 0.451 229 I N -1.248 119.369 120.570 0.078 0.000 3.443 229 I HA 0.087 4.257 4.170 -0.000 0.000 0.277 229 I C 2.442 178.580 176.117 0.035 0.000 1.169 229 I CA 0.839 62.168 61.300 0.048 0.000 1.419 229 I CB -0.554 37.465 38.000 0.032 0.000 1.331 229 I HN -0.034 nan 8.210 nan 0.000 0.458 230 A N 0.315 123.153 122.820 0.030 0.000 1.933 230 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 230 A C 1.077 178.658 177.584 -0.006 0.000 1.175 230 A CA 2.057 54.099 52.037 0.009 0.000 0.628 230 A CB -0.454 18.548 19.000 0.004 0.000 0.814 230 A HN 0.492 nan 8.150 nan 0.000 0.444 231 N N -2.227 116.469 118.700 -0.008 0.000 3.211 231 N HA 0.089 4.829 4.740 -0.000 0.000 0.183 231 N C -2.745 172.721 175.510 -0.072 0.000 1.447 231 N CA -0.497 52.524 53.050 -0.048 0.000 0.840 231 N CB 0.801 39.234 38.487 -0.090 0.000 1.611 231 N HN -0.041 nan 8.380 nan 0.000 0.610 232 P HA 0.141 nan 4.420 nan 0.000 0.242 232 P C 1.151 178.491 177.300 0.067 0.000 1.197 232 P CA 0.319 63.508 63.100 0.148 0.000 0.765 232 P CB 0.066 31.873 31.700 0.179 0.000 0.936 233 G N 1.358 110.140 108.800 -0.031 0.000 2.534 233 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 233 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 233 G C 1.392 176.242 174.900 -0.084 0.000 1.128 233 G CA 0.302 45.380 45.100 -0.036 0.000 0.784 233 G HN 0.446 nan 8.290 nan 0.000 0.542 234 Q N -0.923 118.743 119.800 -0.222 0.000 2.403 234 Q HA 0.296 4.636 4.340 -0.000 0.000 0.203 234 Q C -0.142 175.688 176.000 -0.282 0.000 0.932 234 Q CA -0.086 55.540 55.803 -0.294 0.000 0.945 234 Q CB -0.011 28.469 28.738 -0.430 0.000 1.045 234 Q HN 0.268 nan 8.270 nan 0.000 0.511 235 F N 0.950 120.890 119.950 -0.016 0.000 2.399 235 F HA 0.294 4.821 4.527 -0.000 0.000 0.334 235 F C 0.744 176.533 175.800 -0.018 0.000 1.097 235 F CA -1.334 56.654 58.000 -0.021 0.000 1.076 235 F CB 1.504 40.492 39.000 -0.020 0.000 1.162 235 F HN -0.041 nan 8.300 nan 0.000 0.495 236 D N 0.918 121.438 120.400 0.200 0.000 3.094 236 D HA 0.190 4.830 4.640 -0.000 0.000 0.267 236 D C -0.584 175.751 176.300 0.059 0.000 1.542 236 D CA 0.824 54.881 54.000 0.095 0.000 1.157 236 D CB 0.382 41.214 40.800 0.053 0.000 1.098 236 D HN 0.106 nan 8.370 nan 0.000 0.340 237 V N 1.391 121.316 119.914 0.018 0.000 2.715 237 V HA 0.515 4.635 4.120 -0.000 0.000 0.310 237 V C -0.213 175.832 176.094 -0.082 0.000 1.054 237 V CA -0.709 61.564 62.300 -0.045 0.000 0.928 237 V CB 2.129 33.900 31.823 -0.087 0.000 1.007 237 V HN 0.170 nan 8.190 nan 0.000 0.437 238 I N 3.405 123.905 120.570 -0.118 0.000 2.512 238 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 238 I C -0.995 175.070 176.117 -0.088 0.000 1.069 238 I CA -0.703 60.508 61.300 -0.148 0.000 1.056 238 I CB 2.136 39.976 38.000 -0.266 0.000 1.229 238 I HN 0.374 nan 8.210 nan 0.000 0.429 239 V N 5.899 125.795 119.914 -0.030 0.000 2.459 239 V HA 0.749 4.869 4.120 -0.000 0.000 0.295 239 V C -0.454 175.740 176.094 0.168 0.000 1.029 239 V CA 0.235 62.587 62.300 0.087 0.000 0.874 239 V CB 2.018 33.904 31.823 0.105 0.000 0.985 239 V HN 0.866 nan 8.190 nan 0.000 0.438 240 T N 3.656 118.283 114.554 0.122 0.000 2.843 240 T HA 0.504 4.854 4.350 -0.000 0.000 0.302 240 T C -0.611 173.984 174.700 -0.176 0.000 1.232 240 T CA -0.142 61.885 62.100 -0.122 0.000 1.009 240 T CB 1.767 70.590 68.868 -0.075 0.000 1.254 240 T HN 1.009 nan 8.240 nan 0.000 0.504 241 E N 1.983 121.876 120.200 -0.511 0.000 2.421 241 E HA 0.295 4.645 4.350 -0.000 0.000 0.253 241 E C 1.175 177.712 176.600 -0.105 0.000 1.277 241 E CA -0.482 55.729 56.400 -0.315 0.000 0.968 241 E CB 0.312 29.706 29.700 -0.510 0.000 1.040 241 E HN 0.466 nan 8.360 nan 0.000 0.512 242 N N 0.098 118.781 118.700 -0.028 0.000 2.007 242 N HA -0.238 4.502 4.740 -0.000 0.000 0.197 242 N C 1.618 176.933 175.510 -0.325 0.000 1.050 242 N CA 2.153 55.096 53.050 -0.179 0.000 0.856 242 N CB -0.320 38.004 38.487 -0.271 0.000 1.050 242 N HN 0.693 nan 8.380 nan 0.000 0.423 243 M N -0.290 119.089 119.600 -0.367 0.000 2.086 243 M HA -0.065 4.415 4.480 -0.000 0.000 0.261 243 M C 1.615 177.935 176.300 0.034 0.000 1.067 243 M CA 1.372 56.561 55.300 -0.186 0.000 1.116 243 M CB -0.429 32.122 32.600 -0.082 0.000 1.348 243 M HN 0.056 nan 8.290 nan 0.000 0.407 244 F N 0.022 119.917 119.950 -0.091 0.000 2.134 244 F HA 0.077 4.604 4.527 -0.000 0.000 0.299 244 F C 2.543 178.284 175.800 -0.098 0.000 1.097 244 F CA 1.106 59.044 58.000 -0.103 0.000 1.264 244 F CB -1.948 36.949 39.000 -0.173 0.000 1.001 244 F HN 0.283 nan 8.300 nan 0.000 0.479 245 G N -0.614 108.237 108.800 0.086 0.000 2.442 245 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.219 245 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.219 245 G C 1.380 176.291 174.900 0.018 0.000 1.141 245 G CA 1.263 46.376 45.100 0.021 0.000 0.763 245 G HN 0.345 nan 8.290 nan 0.000 0.554 246 D N 0.416 120.828 120.400 0.019 0.000 2.087 246 D HA -0.104 4.536 4.640 -0.000 0.000 0.192 246 D C 2.570 178.908 176.300 0.064 0.000 0.993 246 D CA 1.043 55.073 54.000 0.051 0.000 0.828 246 D CB -0.173 40.688 40.800 0.102 0.000 0.968 246 D HN 0.371 nan 8.370 nan 0.000 0.448 247 I N 0.041 120.661 120.570 0.083 0.000 2.179 247 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 247 I C 2.393 178.524 176.117 0.024 0.000 1.088 247 I CA 0.746 62.085 61.300 0.064 0.000 1.357 247 I CB -0.349 37.701 38.000 0.082 0.000 1.051 247 I HN 0.126 nan 8.210 nan 0.000 0.409 248 L N -0.043 121.182 121.223 0.004 0.000 2.093 248 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 248 L C 2.738 179.591 176.870 -0.028 0.000 1.085 248 L CA 0.934 55.751 54.840 -0.038 0.000 0.755 248 L CB -0.510 41.497 42.059 -0.086 0.000 0.904 248 L HN 0.194 nan 8.230 nan 0.000 0.435 249 S N 0.097 115.791 115.700 -0.010 0.000 2.353 249 S HA -0.225 4.245 4.470 -0.000 0.000 0.222 249 S C 1.505 176.110 174.600 0.009 0.000 1.035 249 S CA 1.839 60.037 58.200 -0.003 0.000 1.025 249 S CB -0.298 62.907 63.200 0.008 0.000 0.902 249 S HN 0.445 nan 8.310 nan 0.000 0.440 250 D N 1.228 121.640 120.400 0.019 0.000 2.104 250 D HA -0.056 4.584 4.640 -0.000 0.000 0.194 250 D C 1.919 178.231 176.300 0.019 0.000 0.994 250 D CA 0.592 54.607 54.000 0.025 0.000 0.830 250 D CB -0.378 40.442 40.800 0.032 0.000 0.959 250 D HN 0.162 nan 8.370 nan 0.000 0.452 251 L N 0.459 121.690 121.223 0.012 0.000 1.990 251 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 251 L C 2.181 179.058 176.870 0.012 0.000 1.072 251 L CA 1.631 56.476 54.840 0.009 0.000 0.755 251 L CB -0.424 41.633 42.059 -0.003 0.000 0.889 251 L HN 0.061 nan 8.230 nan 0.000 0.432 252 A N -1.448 121.375 122.820 0.004 0.000 2.070 252 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 252 A C 1.939 179.539 177.584 0.027 0.000 1.159 252 A CA 1.602 53.645 52.037 0.011 0.000 0.656 252 A CB -0.391 18.604 19.000 -0.008 0.000 0.800 252 A HN 0.475 nan 8.150 nan 0.000 0.453 253 S N -0.684 115.032 115.700 0.027 0.000 2.763 253 S HA 0.298 4.768 4.470 -0.000 0.000 0.237 253 S C 0.811 175.432 174.600 0.035 0.000 0.966 253 S CA 0.498 58.719 58.200 0.034 0.000 1.017 253 S CB 0.024 63.245 63.200 0.034 0.000 0.780 253 S HN 0.378 nan 8.310 nan 0.000 0.476 254 V N 0.361 120.296 119.914 0.034 0.000 3.141 254 V HA 0.084 4.204 4.120 -0.000 0.000 0.225 254 V C 1.852 177.967 176.094 0.035 0.000 1.352 254 V CA 0.104 62.423 62.300 0.032 0.000 1.316 254 V CB -0.699 31.140 31.823 0.027 0.000 1.126 254 V HN 0.585 nan 8.190 nan 0.000 0.493 255 I N 1.891 122.483 120.570 0.037 0.000 2.462 255 I HA -0.275 3.895 4.170 -0.000 0.000 0.259 255 I C 2.016 178.161 176.117 0.046 0.000 1.156 255 I CA 2.448 63.772 61.300 0.041 0.000 1.417 255 I CB -1.043 36.985 38.000 0.047 0.000 1.088 255 I HN 0.561 nan 8.210 nan 0.000 0.442 256 T N -2.566 112.019 114.554 0.052 0.000 3.039 256 T HA 0.522 4.872 4.350 -0.000 0.000 0.250 256 T C 1.632 176.363 174.700 0.052 0.000 1.052 256 T CA 0.659 62.796 62.100 0.063 0.000 1.125 256 T CB 0.555 69.474 68.868 0.085 0.000 0.908 256 T HN 0.673 nan 8.240 nan 0.000 0.473 257 G N 1.211 110.035 108.800 0.040 0.000 2.956 257 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.210 257 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.210 257 G C 0.422 175.335 174.900 0.021 0.000 1.316 257 G CA -0.036 45.082 45.100 0.029 0.000 0.819 257 G HN 0.691 nan 8.290 nan 0.000 0.544 258 S N 1.993 117.704 115.700 0.018 0.000 2.411 258 S HA 0.439 4.909 4.470 -0.000 0.000 0.304 258 S C 1.239 175.841 174.600 0.004 0.000 1.098 258 S CA 0.305 58.503 58.200 -0.003 0.000 1.068 258 S CB 1.137 64.319 63.200 -0.030 0.000 1.032 258 S HN 1.220 nan 8.310 nan 0.000 0.511 259 L N 2.153 123.384 121.223 0.013 0.000 2.554 259 L HA 0.470 4.810 4.340 -0.000 0.000 0.225 259 L C 1.835 178.734 176.870 0.048 0.000 1.104 259 L CA 0.789 55.650 54.840 0.035 0.000 0.866 259 L CB -1.062 41.023 42.059 0.044 0.000 1.047 259 L HN 0.559 nan 8.230 nan 0.000 0.468 260 G N 1.276 110.078 108.800 0.004 0.000 2.527 260 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 260 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 260 G C 1.252 176.171 174.900 0.032 0.000 1.117 260 G CA 1.090 46.168 45.100 -0.036 0.000 0.759 260 G HN 0.655 nan 8.290 nan 0.000 0.556 261 M N -1.007 118.605 119.600 0.019 0.000 2.416 261 M HA 0.490 4.970 4.480 -0.000 0.000 0.337 261 M C -0.307 176.011 176.300 0.029 0.000 1.074 261 M CA -0.181 55.122 55.300 0.004 0.000 0.968 261 M CB 0.311 32.841 32.600 -0.116 0.000 1.472 261 M HN -0.218 nan 8.290 nan 0.000 0.539 262 L N 5.088 126.349 121.223 0.064 0.000 2.361 262 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 262 L C -2.098 174.811 176.870 0.064 0.000 1.113 262 L CA -1.545 53.335 54.840 0.066 0.000 0.849 262 L CB 0.467 42.565 42.059 0.064 0.000 1.155 262 L HN 0.058 nan 8.230 nan 0.000 0.452 263 P HA 0.244 nan 4.420 nan 0.000 0.280 263 P C -1.023 176.314 177.300 0.062 0.000 1.272 263 P CA -0.535 62.603 63.100 0.063 0.000 0.819 263 P CB 2.124 33.871 31.700 0.080 0.000 1.122 264 S N -0.601 115.136 115.700 0.061 0.000 2.546 264 S HA 0.734 5.204 4.470 -0.000 0.000 0.274 264 S C -1.794 172.828 174.600 0.036 0.000 1.121 264 S CA -0.626 57.597 58.200 0.039 0.000 0.887 264 S CB 0.877 64.075 63.200 -0.004 0.000 1.094 264 S HN 0.643 nan 8.310 nan 0.000 0.474 265 A N 2.509 125.314 122.820 -0.025 0.000 2.402 265 A HA 0.711 5.031 4.320 -0.000 0.000 0.291 265 A C -0.833 176.591 177.584 -0.268 0.000 1.051 265 A CA -0.568 51.353 52.037 -0.194 0.000 0.716 265 A CB 1.588 20.604 19.000 0.028 0.000 1.223 265 A HN 0.683 nan 8.150 nan 0.000 0.425 266 S N 2.748 118.219 115.700 -0.381 0.000 2.448 266 S HA 0.657 5.127 4.470 -0.000 0.000 0.320 266 S C -0.043 174.331 174.600 -0.378 0.000 1.071 266 S CA -0.394 57.628 58.200 -0.298 0.000 1.113 266 S CB 0.210 63.287 63.200 -0.205 0.000 0.972 266 S HN 0.582 nan 8.310 nan 0.000 0.465 267 L N 3.288 124.284 121.223 -0.379 0.000 2.341 267 L HA 0.766 5.106 4.340 -0.000 0.000 0.267 267 L C 0.522 177.011 176.870 -0.634 0.000 1.022 267 L CA -1.255 53.333 54.840 -0.420 0.000 0.844 267 L CB 1.217 43.049 42.059 -0.379 0.000 1.436 267 L HN 0.638 nan 8.230 nan 0.000 0.483 268 R N -1.834 118.302 120.500 -0.606 0.000 3.519 268 R HA 0.447 4.787 4.340 -0.000 0.000 0.258 268 R C 0.461 176.576 176.300 -0.309 0.000 1.147 268 R CA -0.523 55.054 56.100 -0.870 0.000 0.950 268 R CB 0.650 30.768 30.300 -0.303 0.000 1.538 268 R HN 0.295 nan 8.270 nan 0.000 0.427 269 S N 0.553 116.324 115.700 0.118 0.000 2.356 269 S HA -0.117 4.353 4.470 -0.000 0.000 0.223 269 S C 0.424 175.076 174.600 0.087 0.000 1.032 269 S CA 1.885 60.205 58.200 0.199 0.000 1.005 269 S CB -0.538 62.794 63.200 0.220 0.000 0.867 269 S HN 0.658 nan 8.310 nan 0.000 0.449 270 D N 0.034 120.474 120.400 0.066 0.000 2.430 270 D HA 0.156 4.796 4.640 -0.000 0.000 0.285 270 D C 1.025 177.345 176.300 0.033 0.000 1.210 270 D CA -0.489 53.544 54.000 0.055 0.000 1.080 270 D CB 0.132 40.972 40.800 0.066 0.000 1.134 270 D HN -0.146 nan 8.370 nan 0.000 0.562 271 R N -1.418 119.102 120.500 0.033 0.000 2.240 271 R HA 0.125 4.465 4.340 -0.000 0.000 0.203 271 R C 0.444 176.726 176.300 -0.030 0.000 1.011 271 R CA -0.404 55.684 56.100 -0.020 0.000 1.007 271 R CB -0.890 29.373 30.300 -0.061 0.000 0.911 271 R HN 0.412 nan 8.270 nan 0.000 0.468 272 F N 0.839 120.743 119.950 -0.075 0.000 2.545 272 F HA 0.297 4.824 4.527 -0.000 0.000 0.348 272 F C 0.709 176.470 175.800 -0.065 0.000 1.163 272 F CA 0.920 58.886 58.000 -0.056 0.000 1.331 272 F CB 0.678 39.657 39.000 -0.034 0.000 1.138 272 F HN 0.095 nan 8.300 nan 0.000 0.602 273 G N 4.807 112.908 108.800 -1.164 0.000 2.466 273 G HA2 0.411 4.371 3.960 -0.000 0.000 0.291 273 G HA3 0.411 4.371 3.960 -0.000 0.000 0.291 273 G C -2.159 172.257 174.900 -0.808 0.000 1.460 273 G CA -1.024 43.605 45.100 -0.785 0.000 0.791 273 G HN 0.833 nan 8.290 nan 0.000 0.505 274 M N 0.696 119.890 119.600 -0.678 0.000 2.311 274 M HA 0.760 5.240 4.480 -0.000 0.000 0.325 274 M C -1.826 174.106 176.300 -0.613 0.000 1.061 274 M CA -0.846 54.199 55.300 -0.426 0.000 0.957 274 M CB 1.527 34.007 32.600 -0.200 0.000 1.646 274 M HN 0.510 nan 8.290 nan 0.000 0.434 275 Y N 3.283 123.538 120.300 -0.075 0.000 2.350 275 Y HA 0.574 5.124 4.550 0.000 0.000 0.338 275 Y C -0.294 175.585 175.900 -0.035 0.000 0.961 275 Y CA -0.723 57.353 58.100 -0.040 0.000 1.100 275 Y CB 1.334 39.778 38.460 -0.027 0.000 1.179 275 Y HN 0.621 nan 8.280 nan 0.000 0.454 276 E N 3.738 123.976 120.200 0.065 0.000 2.430 276 E HA 0.501 4.851 4.350 -0.000 0.000 0.279 276 E C -3.470 173.106 176.600 -0.040 0.000 1.003 276 E CA -2.408 53.993 56.400 0.001 0.000 0.801 276 E CB 3.120 32.799 29.700 -0.035 0.000 1.313 276 E HN 0.211 nan 8.360 nan 0.000 0.459 277 P HA 0.058 nan 4.420 nan 0.000 0.277 277 P C 0.925 178.102 177.300 -0.204 0.000 1.240 277 P CA -0.430 62.546 63.100 -0.208 0.000 0.798 277 P CB 1.475 32.873 31.700 -0.504 0.000 0.979 278 V N 0.996 120.851 119.914 -0.098 0.000 2.548 278 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 278 V C 1.385 177.465 176.094 -0.023 0.000 1.055 278 V CA 1.570 63.849 62.300 -0.035 0.000 1.065 278 V CB -1.950 29.888 31.823 0.025 0.000 0.681 278 V HN 0.750 nan 8.190 nan 0.000 0.462 279 H N -0.140 118.941 119.070 0.018 0.000 2.771 279 H HA 0.473 5.029 4.556 -0.000 0.000 0.364 279 H C 0.733 176.073 175.328 0.019 0.000 1.133 279 H CA 0.076 56.134 56.048 0.016 0.000 1.423 279 H CB 0.182 29.951 29.762 0.011 0.000 1.425 279 H HN 0.124 nan 8.280 nan 0.000 0.606 280 G N 0.201 109.122 108.800 0.201 0.000 2.468 280 G HA2 0.167 4.127 3.960 -0.000 0.000 0.264 280 G HA3 0.167 4.127 3.960 -0.000 0.000 0.264 280 G C 0.732 175.752 174.900 0.201 0.000 1.460 280 G CA -0.173 45.008 45.100 0.136 0.000 1.060 280 G HN 0.895 nan 8.290 nan 0.000 0.543 281 S N -1.647 114.132 115.700 0.132 0.000 2.556 281 S HA 0.403 4.873 4.470 -0.000 0.000 0.216 281 S C 1.421 176.086 174.600 0.109 0.000 0.970 281 S CA 1.021 59.298 58.200 0.129 0.000 0.912 281 S CB -0.043 63.218 63.200 0.103 0.000 0.790 281 S HN 2.016 nan 8.310 nan 0.000 0.504 282 A N 3.375 126.251 122.820 0.092 0.000 2.049 282 A HA -0.114 4.206 4.320 -0.000 0.000 0.263 282 A C -0.226 177.390 177.584 0.053 0.000 1.316 282 A CA 0.688 52.759 52.037 0.057 0.000 0.759 282 A CB -1.491 17.524 19.000 0.025 0.000 1.141 282 A HN 0.592 nan 8.150 nan 0.000 0.325 283 P HA -0.236 nan 4.420 nan 0.000 0.217 283 P C 0.869 178.191 177.300 0.037 0.000 1.151 283 P CA 1.892 65.030 63.100 0.063 0.000 0.849 283 P CB -0.129 31.617 31.700 0.077 0.000 0.787 284 D N 1.055 121.471 120.400 0.026 0.000 2.191 284 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 284 D C 1.753 178.059 176.300 0.010 0.000 1.003 284 D CA 1.426 55.434 54.000 0.014 0.000 0.867 284 D CB -0.897 39.909 40.800 0.010 0.000 0.926 284 D HN 0.430 nan 8.370 nan 0.000 0.450 285 I N -2.786 117.791 120.570 0.010 0.000 3.891 285 I HA 0.447 4.617 4.170 -0.000 0.000 0.331 285 I C 0.404 176.527 176.117 0.010 0.000 1.406 285 I CA -0.720 60.583 61.300 0.005 0.000 1.139 285 I CB -0.078 37.919 38.000 -0.005 0.000 1.056 285 I HN -0.183 nan 8.210 nan 0.000 0.399 286 A N 1.445 124.277 122.820 0.020 0.000 2.498 286 A HA 0.448 4.768 4.320 -0.000 0.000 0.239 286 A C 1.660 179.254 177.584 0.017 0.000 1.068 286 A CA 0.706 52.759 52.037 0.027 0.000 0.766 286 A CB -0.383 18.642 19.000 0.041 0.000 1.003 286 A HN 1.080 nan 8.150 nan 0.000 0.497 287 G N 0.819 109.629 108.800 0.016 0.000 2.257 287 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.267 287 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.267 287 G C 0.808 175.710 174.900 0.004 0.000 0.984 287 G CA 1.040 46.146 45.100 0.010 0.000 0.626 287 G HN 0.843 nan 8.290 nan 0.000 0.540 288 Q N 0.108 119.909 119.800 0.002 0.000 2.482 288 Q HA 0.354 4.694 4.340 -0.000 0.000 0.209 288 Q C 1.878 177.875 176.000 -0.005 0.000 0.961 288 Q CA 0.530 56.331 55.803 -0.002 0.000 0.945 288 Q CB -0.089 28.647 28.738 -0.003 0.000 1.012 288 Q HN 1.511 nan 8.270 nan 0.000 0.515 289 G N 2.480 111.277 108.800 -0.005 0.000 2.323 289 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.292 289 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.292 289 G C 0.425 175.317 174.900 -0.013 0.000 1.040 289 G CA 1.144 46.238 45.100 -0.009 0.000 0.942 289 G HN 0.534 nan 8.290 nan 0.000 0.506 290 K N -1.529 118.863 120.400 -0.014 0.000 2.447 290 K HA 0.732 5.052 4.320 -0.000 0.000 0.205 290 K C 1.035 177.618 176.600 -0.029 0.000 1.059 290 K CA 0.310 56.586 56.287 -0.019 0.000 1.065 290 K CB 0.826 33.316 32.500 -0.016 0.000 0.885 290 K HN 0.833 nan 8.250 nan 0.000 0.545 291 A N 1.796 124.598 122.820 -0.030 0.000 2.425 291 A HA 0.128 4.448 4.320 -0.000 0.000 0.242 291 A C -0.344 177.205 177.584 -0.059 0.000 1.077 291 A CA -0.425 51.581 52.037 -0.051 0.000 0.781 291 A CB 0.134 19.117 19.000 -0.028 0.000 1.020 291 A HN 0.392 nan 8.150 nan 0.000 0.494 292 N N 1.981 120.618 118.700 -0.104 0.000 2.415 292 N HA 0.176 4.916 4.740 -0.000 0.000 0.246 292 N C -1.586 173.903 175.510 -0.035 0.000 1.078 292 N CA -1.970 51.029 53.050 -0.085 0.000 0.942 292 N CB 1.128 39.539 38.487 -0.126 0.000 1.140 292 N HN 0.331 nan 8.380 nan 0.000 0.501 293 P HA -0.107 nan 4.420 nan 0.000 0.219 293 P C 1.709 179.024 177.300 0.026 0.000 1.150 293 P CA 0.645 63.755 63.100 0.017 0.000 0.814 293 P CB 0.571 32.268 31.700 -0.004 0.000 0.787 294 L N -0.095 121.127 121.223 -0.002 0.000 1.991 294 L HA -0.217 4.123 4.340 -0.000 0.000 0.221 294 L C 2.873 179.749 176.870 0.011 0.000 1.079 294 L CA 2.375 57.205 54.840 -0.016 0.000 0.778 294 L CB -2.148 39.870 42.059 -0.070 0.000 0.893 294 L HN 0.087 nan 8.230 nan 0.000 0.437 295 G N -0.900 107.931 108.800 0.051 0.000 2.491 295 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.218 295 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.218 295 G C 1.656 176.600 174.900 0.074 0.000 1.180 295 G CA 1.623 46.780 45.100 0.095 0.000 0.774 295 G HN 0.435 nan 8.290 nan 0.000 0.562 296 T N -0.718 113.892 114.554 0.093 0.000 3.035 296 T HA 0.050 4.400 4.350 -0.000 0.000 0.268 296 T C 2.298 177.015 174.700 0.028 0.000 1.109 296 T CA 1.384 63.509 62.100 0.042 0.000 1.119 296 T CB -0.081 68.815 68.868 0.048 0.000 0.900 296 T HN 0.017 nan 8.240 nan 0.000 0.503 297 V N 1.181 121.109 119.914 0.024 0.000 2.488 297 V HA 0.079 4.199 4.120 -0.000 0.000 0.246 297 V C 2.618 178.715 176.094 0.004 0.000 1.046 297 V CA 1.232 63.535 62.300 0.005 0.000 1.053 297 V CB -0.473 31.350 31.823 0.001 0.000 0.679 297 V HN 0.490 nan 8.190 nan 0.000 0.458 298 L N -0.357 120.877 121.223 0.018 0.000 2.275 298 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 298 L C 2.510 179.393 176.870 0.022 0.000 1.119 298 L CA 1.029 55.883 54.840 0.024 0.000 0.790 298 L CB -0.528 41.560 42.059 0.048 0.000 0.919 298 L HN 0.278 nan 8.230 nan 0.000 0.443 299 S N -0.015 115.707 115.700 0.037 0.000 2.402 299 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 299 S C 2.188 176.791 174.600 0.005 0.000 1.021 299 S CA 1.122 59.370 58.200 0.079 0.000 0.974 299 S CB -0.096 63.159 63.200 0.093 0.000 0.800 299 S HN 0.515 nan 8.310 nan 0.000 0.484 300 A N 1.329 124.125 122.820 -0.041 0.000 1.929 300 A HA 0.248 4.568 4.320 -0.000 0.000 0.216 300 A C 2.305 179.793 177.584 -0.160 0.000 1.176 300 A CA 1.401 53.375 52.037 -0.106 0.000 0.628 300 A CB -0.882 18.085 19.000 -0.054 0.000 0.816 300 A HN 0.492 nan 8.150 nan 0.000 0.444 301 A N -0.222 122.530 122.820 -0.113 0.000 1.969 301 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 301 A C 2.105 179.557 177.584 -0.221 0.000 1.169 301 A CA 1.327 53.286 52.037 -0.129 0.000 0.635 301 A CB -0.514 18.444 19.000 -0.071 0.000 0.810 301 A HN 0.470 nan 8.150 nan 0.000 0.445 302 L N -1.258 119.826 121.223 -0.231 0.000 2.093 302 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 302 L C 2.782 179.340 176.870 -0.519 0.000 1.085 302 L CA 1.528 56.146 54.840 -0.371 0.000 0.755 302 L CB -0.446 41.627 42.059 0.024 0.000 0.904 302 L HN 0.553 nan 8.230 nan 0.000 0.435 303 M N -0.054 119.066 119.600 -0.800 0.000 2.159 303 M HA -0.224 4.256 4.480 -0.000 0.000 0.263 303 M C 2.201 178.316 176.300 -0.307 0.000 1.063 303 M CA 1.812 56.417 55.300 -1.158 0.000 1.110 303 M CB -0.012 31.922 32.600 -1.110 0.000 1.374 303 M HN 0.231 nan 8.290 nan 0.000 0.411 304 L N -0.744 120.376 121.223 -0.171 0.000 2.141 304 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 304 L C 2.702 179.550 176.870 -0.038 0.000 1.094 304 L CA 1.098 55.944 54.840 0.010 0.000 0.763 304 L CB -0.701 41.301 42.059 -0.096 0.000 0.908 304 L HN 0.394 nan 8.230 nan 0.000 0.437 305 R N -0.705 119.668 120.500 -0.212 0.000 2.062 305 R HA -0.134 4.206 4.340 -0.000 0.000 0.226 305 R C 2.278 178.513 176.300 -0.107 0.000 1.125 305 R CA 1.401 57.359 56.100 -0.236 0.000 0.966 305 R CB -0.033 29.976 30.300 -0.485 0.000 0.861 305 R HN 0.220 nan 8.270 nan 0.000 0.433 306 Y N -0.941 119.356 120.300 -0.005 0.000 2.490 306 Y HA 0.197 4.747 4.550 -0.000 0.000 0.285 306 Y C 2.170 178.008 175.900 -0.104 0.000 1.117 306 Y CA 0.246 58.343 58.100 -0.006 0.000 1.262 306 Y CB 0.164 38.675 38.460 0.084 0.000 1.043 306 Y HN -0.007 nan 8.280 nan 0.000 0.553 307 S N -1.473 114.133 115.700 -0.157 0.000 2.506 307 S HA 0.156 4.626 4.470 -0.000 0.000 0.219 307 S C 0.790 174.876 174.600 -0.856 0.000 1.031 307 S CA 0.144 58.008 58.200 -0.561 0.000 0.911 307 S CB 0.062 62.723 63.200 -0.899 0.000 0.812 307 S HN 0.300 nan 8.310 nan 0.000 0.497 308 F N 0.482 120.428 119.950 -0.006 0.000 2.784 308 F HA 0.389 4.916 4.527 0.000 0.000 0.323 308 F C 1.490 177.285 175.800 -0.008 0.000 1.085 308 F CA -0.147 57.842 58.000 -0.018 0.000 1.196 308 F CB -0.145 38.814 39.000 -0.068 0.000 1.053 308 F HN 0.155 nan 8.300 nan 0.000 0.578 309 G N 2.163 111.018 108.800 0.092 0.000 2.338 309 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.296 309 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.296 309 G C -0.160 174.780 174.900 0.067 0.000 1.040 309 G CA 0.014 45.159 45.100 0.074 0.000 1.004 309 G HN 0.370 nan 8.290 nan 0.000 0.509 310 L N 0.034 121.284 121.223 0.044 0.000 2.603 310 L HA 0.301 4.641 4.340 -0.000 0.000 0.242 310 L C 1.597 178.454 176.870 -0.021 0.000 1.169 310 L CA -0.949 53.893 54.840 0.003 0.000 1.029 310 L CB 0.646 42.663 42.059 -0.070 0.000 1.361 310 L HN 0.084 nan 8.230 nan 0.000 0.439 311 E N 1.803 122.001 120.200 -0.002 0.000 2.019 311 E HA -0.281 4.069 4.350 -0.000 0.000 0.208 311 E C 1.922 178.513 176.600 -0.015 0.000 1.030 311 E CA 1.810 58.205 56.400 -0.009 0.000 0.856 311 E CB 0.140 29.846 29.700 0.011 0.000 0.781 311 E HN 0.519 nan 8.360 nan 0.000 0.471 312 K N 1.170 121.570 120.400 0.001 0.000 2.090 312 K HA -0.278 4.042 4.320 -0.000 0.000 0.218 312 K C 1.866 178.460 176.600 -0.010 0.000 1.055 312 K CA 2.512 58.801 56.287 0.004 0.000 0.941 312 K CB -0.338 32.175 32.500 0.021 0.000 0.722 312 K HN 0.032 nan 8.250 nan 0.000 0.458 313 E N -0.069 120.113 120.200 -0.030 0.000 2.028 313 E HA -0.006 4.344 4.350 -0.000 0.000 0.190 313 E C 2.086 178.652 176.600 -0.057 0.000 0.984 313 E CA 1.391 57.758 56.400 -0.054 0.000 0.800 313 E CB -0.508 29.119 29.700 -0.122 0.000 0.758 313 E HN 0.471 nan 8.360 nan 0.000 0.448 314 A N 1.357 124.135 122.820 -0.070 0.000 1.917 314 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 314 A C 2.413 179.969 177.584 -0.047 0.000 1.182 314 A CA 2.230 54.221 52.037 -0.076 0.000 0.633 314 A CB -1.098 17.839 19.000 -0.105 0.000 0.819 314 A HN 0.292 nan 8.150 nan 0.000 0.448 315 A N -0.220 122.580 122.820 -0.033 0.000 1.908 315 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 315 A C 2.534 180.114 177.584 -0.007 0.000 1.181 315 A CA 2.391 54.419 52.037 -0.016 0.000 0.627 315 A CB -1.122 17.873 19.000 -0.010 0.000 0.818 315 A HN 1.198 nan 8.150 nan 0.000 0.445 316 A N 0.198 123.013 122.820 -0.009 0.000 1.883 316 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 316 A C 2.027 179.614 177.584 0.005 0.000 1.186 316 A CA 1.782 53.818 52.037 -0.001 0.000 0.624 316 A CB -0.574 18.424 19.000 -0.004 0.000 0.822 316 A HN 0.443 nan 8.150 nan 0.000 0.444 317 I N 0.392 120.960 120.570 -0.003 0.000 2.127 317 I HA -0.259 3.911 4.170 -0.000 0.000 0.241 317 I C 2.385 178.520 176.117 0.031 0.000 1.075 317 I CA 1.890 63.193 61.300 0.005 0.000 1.334 317 I CB -1.881 36.113 38.000 -0.011 0.000 1.040 317 I HN 0.516 nan 8.210 nan 0.000 0.405 318 E N 0.690 120.912 120.200 0.035 0.000 2.077 318 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 318 E C 2.127 178.774 176.600 0.078 0.000 0.989 318 E CA 1.085 57.530 56.400 0.075 0.000 0.800 318 E CB -0.196 29.535 29.700 0.052 0.000 0.746 318 E HN 0.209 nan 8.360 nan 0.000 0.452 319 K N 1.573 121.998 120.400 0.041 0.000 2.032 319 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 319 K C 1.957 178.589 176.600 0.052 0.000 1.048 319 K CA 1.656 57.965 56.287 0.036 0.000 0.927 319 K CB -0.752 31.760 32.500 0.019 0.000 0.712 319 K HN 0.121 nan 8.250 nan 0.000 0.441 320 A N 0.269 123.117 122.820 0.045 0.000 1.849 320 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 320 A C 2.396 180.020 177.584 0.067 0.000 1.202 320 A CA 2.373 54.438 52.037 0.046 0.000 0.629 320 A CB -1.170 17.848 19.000 0.030 0.000 0.834 320 A HN 0.103 nan 8.150 nan 0.000 0.447 321 V N 0.795 120.754 119.914 0.076 0.000 2.250 321 V HA -0.350 3.770 4.120 -0.000 0.000 0.253 321 V C 2.464 178.647 176.094 0.149 0.000 1.065 321 V CA 2.641 64.996 62.300 0.091 0.000 1.039 321 V CB -0.954 30.929 31.823 0.099 0.000 0.647 321 V HN 0.683 nan 8.190 nan 0.000 0.446 322 D N 0.066 120.599 120.400 0.222 0.000 2.120 322 D HA -0.216 4.424 4.640 -0.000 0.000 0.191 322 D C 1.879 178.264 176.300 0.143 0.000 0.994 322 D CA 1.899 56.047 54.000 0.246 0.000 0.838 322 D CB -0.423 40.454 40.800 0.128 0.000 0.976 322 D HN 0.454 nan 8.370 nan 0.000 0.447 323 D N -0.307 120.149 120.400 0.093 0.000 2.172 323 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 323 D C 2.213 178.562 176.300 0.082 0.000 0.999 323 D CA 0.535 54.578 54.000 0.071 0.000 0.856 323 D CB -0.324 40.510 40.800 0.055 0.000 0.934 323 D HN 0.159 nan 8.370 nan 0.000 0.453 324 V N 0.592 120.562 119.914 0.094 0.000 2.307 324 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 324 V C 2.623 178.788 176.094 0.117 0.000 1.045 324 V CA 1.028 63.399 62.300 0.118 0.000 1.024 324 V CB -0.408 31.477 31.823 0.103 0.000 0.651 324 V HN 0.212 nan 8.190 nan 0.000 0.449 325 L N -0.633 120.648 121.223 0.097 0.000 2.079 325 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 325 L C 2.647 179.553 176.870 0.060 0.000 1.081 325 L CA 1.517 56.403 54.840 0.077 0.000 0.752 325 L CB -0.500 41.609 42.059 0.084 0.000 0.896 325 L HN 0.360 nan 8.230 nan 0.000 0.433 326 Q N 0.308 120.148 119.800 0.067 0.000 2.002 326 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 326 Q C 1.630 177.632 176.000 0.003 0.000 0.988 326 Q CA 1.866 57.692 55.803 0.038 0.000 0.843 326 Q CB -0.192 28.570 28.738 0.040 0.000 0.908 326 Q HN 0.349 nan 8.270 nan 0.000 0.420 327 D N -1.425 118.980 120.400 0.008 0.000 2.393 327 D HA -0.063 4.577 4.640 -0.000 0.000 0.220 327 D C 1.083 177.270 176.300 -0.188 0.000 0.974 327 D CA 1.222 55.191 54.000 -0.051 0.000 0.931 327 D CB -0.217 40.601 40.800 0.029 0.000 0.889 327 D HN 0.531 nan 8.370 nan 0.000 0.512 328 G N -0.847 107.880 108.800 -0.123 0.000 2.284 328 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.230 328 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.230 328 G C 0.134 174.952 174.900 -0.138 0.000 1.021 328 G CA -0.130 44.867 45.100 -0.170 0.000 0.619 328 G HN 0.282 nan 8.290 nan 0.000 0.510 329 Y N 1.608 121.909 120.300 0.003 0.000 2.597 329 Y HA 0.423 4.973 4.550 -0.000 0.000 0.336 329 Y C 1.419 177.315 175.900 -0.008 0.000 1.216 329 Y CA 0.057 58.155 58.100 -0.003 0.000 1.463 329 Y CB 0.434 38.893 38.460 -0.002 0.000 1.303 329 Y HN 0.990 nan 8.280 nan 0.000 0.576 330 C N -0.816 118.586 119.300 0.169 0.000 3.254 330 C HA 0.639 5.099 4.460 -0.000 0.000 0.374 330 C C 0.641 175.659 174.990 0.047 0.000 1.710 330 C CA -0.028 59.033 59.018 0.072 0.000 1.149 330 C CB 1.378 29.140 27.740 0.036 0.000 2.019 330 C HN 0.877 nan 8.230 nan 0.000 0.427 331 T N -2.827 111.733 114.554 0.011 0.000 3.170 331 T HA 0.598 4.948 4.350 -0.000 0.000 0.288 331 T C 1.232 175.927 174.700 -0.009 0.000 0.992 331 T CA 1.062 63.161 62.100 -0.001 0.000 0.909 331 T CB 0.125 68.981 68.868 -0.019 0.000 1.133 331 T HN 2.822 nan 8.240 nan 0.000 0.530 332 G N 2.656 111.453 108.800 -0.005 0.000 2.313 332 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.215 332 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.215 332 G C 0.803 175.693 174.900 -0.017 0.000 1.023 332 G CA 0.525 45.619 45.100 -0.009 0.000 0.626 332 G HN 0.619 nan 8.290 nan 0.000 0.503 333 D N 0.850 121.233 120.400 -0.029 0.000 2.262 333 D HA 0.159 4.799 4.640 -0.000 0.000 0.212 333 D C 1.531 177.813 176.300 -0.030 0.000 0.964 333 D CA 0.034 54.013 54.000 -0.034 0.000 0.875 333 D CB -0.147 40.619 40.800 -0.056 0.000 0.996 333 D HN 0.486 nan 8.370 nan 0.000 0.497 334 L N 0.570 121.774 121.223 -0.032 0.000 2.452 334 L HA 0.154 4.494 4.340 -0.000 0.000 0.267 334 L C 0.209 177.071 176.870 -0.014 0.000 1.188 334 L CA -0.096 54.727 54.840 -0.028 0.000 0.821 334 L CB 0.712 42.750 42.059 -0.036 0.000 1.102 334 L HN -0.070 nan 8.230 nan 0.000 0.470 335 Q N 2.340 122.134 119.800 -0.009 0.000 2.401 335 Q HA 0.385 4.725 4.340 -0.000 0.000 0.260 335 Q C -0.921 175.080 176.000 0.001 0.000 1.034 335 Q CA -0.465 55.336 55.803 -0.003 0.000 0.737 335 Q CB 1.338 30.076 28.738 -0.001 0.000 1.227 335 Q HN 0.389 nan 8.270 nan 0.000 0.488 336 V N 0.485 120.399 119.914 -0.000 0.000 3.302 336 V HA 0.938 5.058 4.120 -0.000 0.000 0.316 336 V C 0.995 177.085 176.094 -0.007 0.000 1.111 336 V CA -0.295 62.005 62.300 -0.000 0.000 1.029 336 V CB 0.636 32.458 31.823 -0.003 0.000 1.170 336 V HN 0.695 nan 8.190 nan 0.000 0.452 337 A N 0.449 123.262 122.820 -0.011 0.000 3.154 337 A HA -0.013 4.307 4.320 -0.000 0.000 0.157 337 A C 1.141 178.709 177.584 -0.025 0.000 0.966 337 A CA 1.220 53.248 52.037 -0.016 0.000 1.076 337 A CB -1.238 17.750 19.000 -0.019 0.000 0.868 337 A HN 0.960 nan 8.150 nan 0.000 0.549 338 N N 0.430 119.107 118.700 -0.037 0.000 2.542 338 N HA 0.284 5.024 4.740 -0.000 0.000 0.234 338 N C 0.456 175.928 175.510 -0.064 0.000 1.257 338 N CA -0.095 52.929 53.050 -0.044 0.000 0.883 338 N CB -0.098 38.361 38.487 -0.047 0.000 1.197 338 N HN 0.607 nan 8.380 nan 0.000 0.488 339 G N 0.728 109.495 108.800 -0.055 0.000 2.554 339 G HA2 0.127 4.087 3.960 -0.000 0.000 0.238 339 G HA3 0.127 4.087 3.960 -0.000 0.000 0.238 339 G C -0.045 174.832 174.900 -0.039 0.000 1.259 339 G CA -0.190 44.871 45.100 -0.064 0.000 0.843 339 G HN 0.149 nan 8.290 nan 0.000 0.582 340 K N -0.319 120.064 120.400 -0.029 0.000 2.156 340 K HA 0.603 4.923 4.320 -0.000 0.000 0.250 340 K C -0.479 176.188 176.600 0.112 0.000 0.955 340 K CA -0.644 55.675 56.287 0.052 0.000 0.855 340 K CB 2.375 34.943 32.500 0.113 0.000 1.101 340 K HN 0.223 nan 8.250 nan 0.000 0.434 341 V N 2.457 122.423 119.914 0.087 0.000 2.459 341 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 341 V C -0.316 175.816 176.094 0.064 0.000 1.029 341 V CA -0.792 61.549 62.300 0.069 0.000 0.874 341 V CB 1.336 33.179 31.823 0.033 0.000 0.985 341 V HN 0.631 nan 8.190 nan 0.000 0.438 342 V N 1.874 121.816 119.914 0.047 0.000 3.181 342 V HA 0.856 4.976 4.120 -0.000 0.000 0.314 342 V C 0.308 176.396 176.094 -0.011 0.000 1.173 342 V CA -0.438 61.866 62.300 0.006 0.000 1.052 342 V CB 1.878 33.675 31.823 -0.042 0.000 1.123 342 V HN 0.879 nan 8.190 nan 0.000 0.454 343 S N 0.098 115.783 115.700 -0.025 0.000 2.633 343 S HA 0.178 4.648 4.470 -0.000 0.000 0.257 343 S C 1.020 175.602 174.600 -0.030 0.000 1.265 343 S CA 0.535 58.720 58.200 -0.025 0.000 0.980 343 S CB 0.321 63.506 63.200 -0.026 0.000 1.017 343 S HN 0.942 nan 8.310 nan 0.000 0.577 344 T N 0.688 115.226 114.554 -0.027 0.000 2.896 344 T HA 0.047 4.397 4.350 -0.000 0.000 0.263 344 T C 1.733 176.412 174.700 -0.035 0.000 1.050 344 T CA 0.674 62.758 62.100 -0.028 0.000 1.140 344 T CB -0.317 68.538 68.868 -0.021 0.000 0.877 344 T HN 0.429 nan 8.240 nan 0.000 0.457 345 I N 1.470 122.018 120.570 -0.036 0.000 2.163 345 I HA -0.086 4.084 4.170 -0.000 0.000 0.240 345 I C 2.628 178.711 176.117 -0.057 0.000 1.081 345 I CA 1.427 62.702 61.300 -0.042 0.000 1.353 345 I CB -1.193 36.785 38.000 -0.038 0.000 1.054 345 I HN 0.237 nan 8.210 nan 0.000 0.407 346 E N 1.393 121.553 120.200 -0.066 0.000 2.097 346 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 346 E C 2.305 178.834 176.600 -0.119 0.000 1.000 346 E CA 1.210 57.549 56.400 -0.101 0.000 0.804 346 E CB -0.370 29.260 29.700 -0.116 0.000 0.740 346 E HN 0.317 nan 8.360 nan 0.000 0.454 347 L N 0.178 121.348 121.223 -0.088 0.000 2.042 347 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 347 L C 2.135 178.969 176.870 -0.060 0.000 1.076 347 L CA 2.125 56.922 54.840 -0.072 0.000 0.749 347 L CB -0.856 41.180 42.059 -0.039 0.000 0.893 347 L HN 0.312 nan 8.230 nan 0.000 0.432 348 T N -0.592 113.931 114.554 -0.052 0.000 2.708 348 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 348 T C 1.337 176.007 174.700 -0.050 0.000 1.037 348 T CA 1.554 63.627 62.100 -0.044 0.000 1.146 348 T CB -0.233 68.609 68.868 -0.043 0.000 0.865 348 T HN 0.319 nan 8.240 nan 0.000 0.435 349 D N 0.638 121.000 120.400 -0.063 0.000 2.265 349 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 349 D C 2.282 178.539 176.300 -0.072 0.000 0.977 349 D CA 0.845 54.806 54.000 -0.065 0.000 0.871 349 D CB -0.115 40.640 40.800 -0.075 0.000 0.925 349 D HN 0.362 nan 8.370 nan 0.000 0.485 350 R N -0.465 119.981 120.500 -0.089 0.000 2.112 350 R HA 0.185 4.525 4.340 -0.000 0.000 0.216 350 R C 2.387 178.668 176.300 -0.031 0.000 1.080 350 R CA 0.091 56.142 56.100 -0.082 0.000 0.996 350 R CB -0.104 30.111 30.300 -0.142 0.000 0.902 350 R HN 0.172 nan 8.270 nan 0.000 0.449 351 L N 0.556 121.764 121.223 -0.025 0.000 2.012 351 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 351 L C 2.173 179.039 176.870 -0.007 0.000 1.073 351 L CA 1.248 56.085 54.840 -0.006 0.000 0.748 351 L CB -0.375 41.679 42.059 -0.009 0.000 0.891 351 L HN 0.109 nan 8.230 nan 0.000 0.431 352 I N -0.009 120.551 120.570 -0.017 0.000 2.264 352 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 352 I C 2.519 178.631 176.117 -0.008 0.000 1.111 352 I CA 1.409 62.701 61.300 -0.014 0.000 1.382 352 I CB -0.327 37.661 38.000 -0.020 0.000 1.060 352 I HN 0.273 nan 8.210 nan 0.000 0.418 353 E N 0.579 120.772 120.200 -0.011 0.000 2.007 353 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 353 E C 2.176 178.780 176.600 0.006 0.000 0.999 353 E CA 1.285 57.683 56.400 -0.004 0.000 0.811 353 E CB 0.028 29.724 29.700 -0.008 0.000 0.762 353 E HN 0.139 nan 8.360 nan 0.000 0.450 354 K N 0.192 120.600 120.400 0.013 0.000 2.127 354 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 354 K C 0.748 177.357 176.600 0.015 0.000 1.047 354 K CA 0.440 56.739 56.287 0.021 0.000 0.927 354 K CB -0.581 31.936 32.500 0.030 0.000 0.716 354 K HN 0.202 nan 8.250 nan 0.000 0.450 355 L N 2.684 123.913 121.223 0.010 0.000 2.546 355 L HA -0.083 4.257 4.340 -0.000 0.000 0.272 355 L C 0.671 177.546 176.870 0.008 0.000 1.327 355 L CA 0.952 55.797 54.840 0.008 0.000 1.199 355 L CB -1.246 40.815 42.059 0.003 0.000 1.401 355 L HN 0.211 nan 8.230 nan 0.000 0.440 356 N N -0.966 117.741 118.700 0.010 0.000 2.450 356 N HA -0.021 4.719 4.740 -0.000 0.000 0.317 356 N C 0.114 175.631 175.510 0.011 0.000 0.651 356 N CA 0.072 53.129 53.050 0.010 0.000 1.030 356 N CB 0.429 38.922 38.487 0.009 0.000 2.010 356 N HN 0.296 nan 8.380 nan 0.000 1.425 357 N N 0.000 118.707 118.700 0.012 0.000 1.763 357 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 357 N CA 0.000 53.057 53.050 0.012 0.000 0.885 357 N CB 0.000 38.494 38.487 0.011 0.000 1.341 357 N HN 0.000 nan 8.380 nan 0.000 0.667