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_H 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 0.000 176.359 176.300 0.099 0.000 1.140 1 M CA 0.000 55.434 55.300 0.223 0.000 0.988 1 M CB 0.000 32.639 32.600 0.066 0.000 1.302 2 K N 2.924 123.343 120.400 0.033 0.000 2.611 2 K HA 0.182 4.502 4.320 -0.000 0.000 0.280 2 K C -1.006 175.571 176.600 -0.038 0.000 0.964 2 K CA 0.891 57.171 56.287 -0.011 0.000 1.029 2 K CB -0.296 32.206 32.500 0.003 0.000 0.862 2 K HN 0.726 nan 8.250 nan 0.000 0.501 3 M N -0.177 119.371 119.600 -0.086 0.000 2.569 3 M HA 0.362 4.842 4.480 -0.000 0.000 0.287 3 M C -1.844 174.393 176.300 -0.105 0.000 1.130 3 M CA -0.892 54.364 55.300 -0.074 0.000 0.885 3 M CB 1.742 34.147 32.600 -0.324 0.000 1.759 3 M HN 0.535 nan 8.290 nan 0.000 0.515 4 K N 3.006 123.404 120.400 -0.003 0.000 2.292 4 K HA 0.903 5.223 4.320 -0.000 0.000 0.257 4 K C -1.614 174.989 176.600 0.005 0.000 0.940 4 K CA -0.765 55.494 56.287 -0.047 0.000 0.811 4 K CB 2.206 34.710 32.500 0.006 0.000 1.120 4 K HN 0.780 nan 8.250 nan 0.000 0.428 5 L N 1.590 122.757 121.223 -0.095 0.000 2.381 5 L HA 0.694 5.034 4.340 -0.000 0.000 0.268 5 L C -0.570 176.349 176.870 0.083 0.000 0.997 5 L CA -1.309 53.537 54.840 0.011 0.000 0.818 5 L CB 2.161 44.186 42.059 -0.056 0.000 1.310 5 L HN 0.847 nan 8.230 nan 0.000 0.416 6 A N 2.459 125.363 122.820 0.140 0.000 2.292 6 A HA 0.747 5.067 4.320 -0.000 0.000 0.319 6 A C -0.520 177.158 177.584 0.157 0.000 1.206 6 A CA -0.476 51.650 52.037 0.147 0.000 0.835 6 A CB 1.084 20.175 19.000 0.152 0.000 1.164 6 A HN 0.416 nan 8.150 nan 0.000 0.505 7 V N 3.361 123.369 119.914 0.157 0.000 2.459 7 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 7 V C -0.829 175.317 176.094 0.088 0.000 1.029 7 V CA -0.322 62.060 62.300 0.137 0.000 0.874 7 V CB 1.235 33.148 31.823 0.150 0.000 0.985 7 V HN 0.692 nan 8.190 nan 0.000 0.438 8 L N 8.182 129.447 121.223 0.070 0.000 2.417 8 L HA 0.432 4.772 4.340 -0.000 0.000 0.259 8 L C -1.412 175.478 176.870 0.032 0.000 1.023 8 L CA -1.098 53.769 54.840 0.045 0.000 0.901 8 L CB 1.803 43.885 42.059 0.038 0.000 1.227 8 L HN 0.380 nan 8.230 nan 0.000 0.454 9 P HA -0.019 nan 4.420 nan 0.000 0.217 9 P C 0.864 178.177 177.300 0.022 0.000 1.151 9 P CA 1.369 64.484 63.100 0.026 0.000 0.828 9 P CB 0.704 32.418 31.700 0.023 0.000 0.788 10 G N 0.763 109.571 108.800 0.013 0.000 2.539 10 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.256 10 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.256 10 G C -0.723 174.188 174.900 0.018 0.000 1.233 10 G CA 0.162 45.262 45.100 -0.001 0.000 0.936 10 G HN 0.282 nan 8.290 nan 0.000 0.571 11 D N 0.966 121.378 120.400 0.019 0.000 2.529 11 D HA 0.537 5.177 4.640 -0.000 0.000 0.273 11 D C 1.460 177.821 176.300 0.103 0.000 1.197 11 D CA 0.964 55.013 54.000 0.082 0.000 1.070 11 D CB 0.354 41.208 40.800 0.089 0.000 1.134 11 D HN 1.722 nan 8.370 nan 0.000 0.590 12 G N 0.773 109.657 108.800 0.140 0.000 2.660 12 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.321 12 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.321 12 G C 1.086 176.036 174.900 0.082 0.000 1.246 12 G CA 0.916 46.082 45.100 0.110 0.000 1.000 12 G HN 0.700 nan 8.290 nan 0.000 0.550 13 I N 0.000 120.618 120.570 0.079 0.000 3.428 13 I HA 0.368 4.538 4.170 -0.000 0.000 0.286 13 I C 2.338 178.505 176.117 0.083 0.000 1.287 13 I CA 1.406 62.747 61.300 0.068 0.000 1.396 13 I CB -0.691 37.342 38.000 0.054 0.000 1.062 13 I HN 0.599 nan 8.210 nan 0.000 0.471 14 G N 3.169 112.023 108.800 0.090 0.000 2.469 14 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 14 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 14 G C -0.111 174.822 174.900 0.054 0.000 1.136 14 G CA 1.215 46.361 45.100 0.076 0.000 0.759 14 G HN 0.444 nan 8.290 nan 0.000 0.562 15 P HA 0.008 nan 4.420 nan 0.000 0.220 15 P C 1.295 178.609 177.300 0.024 0.000 1.152 15 P CA 1.039 64.158 63.100 0.032 0.000 0.812 15 P CB 0.152 31.872 31.700 0.034 0.000 0.792 16 E N 0.462 120.680 120.200 0.030 0.000 2.017 16 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 16 E C 2.125 178.736 176.600 0.018 0.000 0.997 16 E CA 1.834 58.245 56.400 0.019 0.000 0.804 16 E CB -0.684 29.028 29.700 0.019 0.000 0.757 16 E HN 0.165 nan 8.360 nan 0.000 0.448 17 V N -0.661 119.277 119.914 0.039 0.000 2.809 17 V HA -0.165 3.955 4.120 -0.000 0.000 0.256 17 V C 2.277 178.391 176.094 0.033 0.000 1.080 17 V CA 1.443 63.770 62.300 0.046 0.000 1.102 17 V CB -0.449 31.433 31.823 0.098 0.000 0.705 17 V HN 0.117 nan 8.190 nan 0.000 0.475 18 M N 1.261 120.877 119.600 0.027 0.000 2.175 18 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 18 M C 1.756 178.044 176.300 -0.021 0.000 1.063 18 M CA 1.794 57.100 55.300 0.011 0.000 1.119 18 M CB -0.920 31.687 32.600 0.013 0.000 1.377 18 M HN 0.421 nan 8.290 nan 0.000 0.415 19 D N -0.236 120.149 120.400 -0.025 0.000 2.078 19 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 19 D C 1.854 178.124 176.300 -0.050 0.000 0.990 19 D CA 1.833 55.804 54.000 -0.049 0.000 0.827 19 D CB -0.053 40.726 40.800 -0.035 0.000 0.975 19 D HN 0.463 nan 8.370 nan 0.000 0.451 20 A N 1.479 124.282 122.820 -0.028 0.000 1.873 20 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 20 A C 2.382 179.949 177.584 -0.028 0.000 1.193 20 A CA 2.978 55.000 52.037 -0.026 0.000 0.629 20 A CB -1.043 17.949 19.000 -0.013 0.000 0.826 20 A HN 0.315 nan 8.150 nan 0.000 0.447 21 A N 0.077 122.888 122.820 -0.015 0.000 1.849 21 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 21 A C 2.098 179.664 177.584 -0.029 0.000 1.202 21 A CA 1.839 53.871 52.037 -0.009 0.000 0.629 21 A CB -0.943 18.063 19.000 0.010 0.000 0.834 21 A HN 0.553 nan 8.150 nan 0.000 0.447 22 I N -0.941 119.590 120.570 -0.065 0.000 2.290 22 I HA -0.372 3.798 4.170 -0.000 0.000 0.253 22 I C 2.811 178.846 176.117 -0.137 0.000 1.112 22 I CA 1.819 63.029 61.300 -0.149 0.000 1.377 22 I CB -0.437 37.388 38.000 -0.291 0.000 1.060 22 I HN 0.371 nan 8.210 nan 0.000 0.428 23 R N 0.129 120.572 120.500 -0.094 0.000 2.061 23 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 23 R C 2.349 178.628 176.300 -0.035 0.000 1.140 23 R CA 1.417 57.476 56.100 -0.068 0.000 0.940 23 R CB -0.572 29.696 30.300 -0.055 0.000 0.839 23 R HN 0.148 nan 8.270 nan 0.000 0.429 24 V N 1.811 121.710 119.914 -0.024 0.000 2.278 24 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 24 V C 2.299 178.394 176.094 0.002 0.000 1.062 24 V CA 1.848 64.142 62.300 -0.010 0.000 1.038 24 V CB -0.569 31.249 31.823 -0.008 0.000 0.646 24 V HN 0.284 nan 8.190 nan 0.000 0.447 25 L N -0.034 121.195 121.223 0.010 0.000 2.042 25 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 25 L C 2.388 179.294 176.870 0.060 0.000 1.076 25 L CA 2.046 56.907 54.840 0.036 0.000 0.749 25 L CB -0.665 41.441 42.059 0.079 0.000 0.893 25 L HN 0.218 nan 8.230 nan 0.000 0.432 26 K N -1.373 119.063 120.400 0.060 0.000 2.097 26 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 26 K C 2.086 178.712 176.600 0.044 0.000 1.049 26 K CA 1.752 58.084 56.287 0.075 0.000 0.933 26 K CB -0.282 32.239 32.500 0.035 0.000 0.717 26 K HN 0.635 nan 8.250 nan 0.000 0.442 27 T N -1.392 113.175 114.554 0.022 0.000 2.896 27 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 27 T C 1.889 176.601 174.700 0.021 0.000 1.050 27 T CA 0.949 63.058 62.100 0.015 0.000 1.140 27 T CB -0.150 68.721 68.868 0.004 0.000 0.877 27 T HN -0.070 nan 8.240 nan 0.000 0.457 28 V N 1.395 121.323 119.914 0.022 0.000 2.427 28 V HA 0.046 4.166 4.120 -0.000 0.000 0.248 28 V C 2.771 178.899 176.094 0.056 0.000 1.051 28 V CA 1.302 63.617 62.300 0.026 0.000 1.048 28 V CB -0.675 31.153 31.823 0.008 0.000 0.666 28 V HN 0.455 nan 8.190 nan 0.000 0.456 29 L N 0.134 121.390 121.223 0.056 0.000 2.131 29 L HA -0.113 4.227 4.340 -0.000 0.000 0.206 29 L C 2.383 179.308 176.870 0.093 0.000 1.087 29 L CA 1.779 56.682 54.840 0.106 0.000 0.767 29 L CB -0.542 41.544 42.059 0.045 0.000 0.917 29 L HN 0.435 nan 8.230 nan 0.000 0.441 30 D N 0.359 120.787 120.400 0.046 0.000 2.078 30 D HA -0.229 4.411 4.640 -0.000 0.000 0.193 30 D C 1.841 178.135 176.300 -0.010 0.000 0.990 30 D CA 1.578 55.587 54.000 0.015 0.000 0.827 30 D CB -0.013 40.795 40.800 0.015 0.000 0.975 30 D HN 0.100 nan 8.370 nan 0.000 0.451 31 N N 0.541 119.241 118.700 0.001 0.000 2.060 31 N HA -0.154 4.586 4.740 -0.000 0.000 0.195 31 N C 0.650 176.136 175.510 -0.041 0.000 1.028 31 N CA 1.328 54.371 53.050 -0.012 0.000 0.861 31 N CB -0.414 38.075 38.487 0.003 0.000 1.029 31 N HN 0.400 nan 8.380 nan 0.000 0.428 32 D N -0.054 120.317 120.400 -0.047 0.000 2.370 32 D HA 0.152 4.792 4.640 -0.000 0.000 0.230 32 D C 0.612 176.660 176.300 -0.421 0.000 1.143 32 D CA 0.067 53.964 54.000 -0.171 0.000 0.834 32 D CB -0.317 40.441 40.800 -0.070 0.000 0.944 32 D HN 0.302 nan 8.370 nan 0.000 0.504 33 G N 1.902 110.553 108.800 -0.248 0.000 2.305 33 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 33 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 33 G C 0.100 174.819 174.900 -0.303 0.000 1.036 33 G CA 0.018 44.980 45.100 -0.231 0.000 0.887 33 G HN 0.411 nan 8.290 nan 0.000 0.505 34 H N 0.008 119.044 119.070 -0.057 0.000 2.481 34 H HA 0.684 5.240 4.556 -0.000 0.000 0.339 34 H C 0.603 175.880 175.328 -0.085 0.000 1.131 34 H CA 0.428 56.424 56.048 -0.086 0.000 1.301 34 H CB 1.459 31.144 29.762 -0.128 0.000 1.476 34 H HN 0.703 nan 8.280 nan 0.000 0.529 35 E N 0.425 120.646 120.200 0.035 0.000 2.202 35 E HA 0.736 5.086 4.350 -0.000 0.000 0.272 35 E C -1.048 175.497 176.600 -0.092 0.000 0.951 35 E CA -0.683 55.704 56.400 -0.021 0.000 0.813 35 E CB 2.024 31.713 29.700 -0.019 0.000 1.151 35 E HN 0.833 nan 8.360 nan 0.000 0.398 36 A N 0.603 123.345 122.820 -0.130 0.000 2.540 36 A HA 0.637 4.957 4.320 -0.000 0.000 0.297 36 A C -1.330 176.046 177.584 -0.347 0.000 1.056 36 A CA -0.379 51.482 52.037 -0.293 0.000 0.700 36 A CB 1.397 20.135 19.000 -0.437 0.000 1.280 36 A HN 0.991 nan 8.150 nan 0.000 0.398 37 V N 2.353 122.042 119.914 -0.374 0.000 2.409 37 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 37 V C -1.061 174.835 176.094 -0.330 0.000 1.020 37 V CA -0.280 61.875 62.300 -0.242 0.000 0.848 37 V CB 0.971 32.746 31.823 -0.081 0.000 0.990 37 V HN 0.675 nan 8.190 nan 0.000 0.430 38 F N 2.492 122.453 119.950 0.020 0.000 2.408 38 F HA 0.526 5.053 4.527 -0.000 0.000 0.344 38 F C 0.712 176.530 175.800 0.030 0.000 1.112 38 F CA -0.508 57.507 58.000 0.026 0.000 1.096 38 F CB 1.150 40.161 39.000 0.018 0.000 1.129 38 F HN 0.419 nan 8.300 nan 0.000 0.486 39 E N 2.427 122.745 120.200 0.197 0.000 2.182 39 E HA 0.242 4.592 4.350 -0.000 0.000 0.258 39 E C -1.001 175.675 176.600 0.126 0.000 0.879 39 E CA -0.865 55.614 56.400 0.131 0.000 0.754 39 E CB 1.210 30.965 29.700 0.091 0.000 1.162 39 E HN 0.578 nan 8.360 nan 0.000 0.419 40 N N 1.331 120.093 118.700 0.103 0.000 2.482 40 N HA 0.453 5.193 4.740 -0.000 0.000 0.260 40 N C -0.817 174.731 175.510 0.063 0.000 1.236 40 N CA 0.170 53.267 53.050 0.079 0.000 0.938 40 N CB 1.049 39.570 38.487 0.056 0.000 1.128 40 N HN 0.520 nan 8.380 nan 0.000 0.448 41 A N 0.532 123.385 122.820 0.055 0.000 2.594 41 A HA 0.729 5.049 4.320 -0.000 0.000 0.291 41 A C -1.628 175.974 177.584 0.031 0.000 1.105 41 A CA -0.504 51.558 52.037 0.042 0.000 0.694 41 A CB 0.794 19.823 19.000 0.047 0.000 1.291 41 A HN 0.417 nan 8.150 nan 0.000 0.410 42 L N 0.588 121.823 121.223 0.019 0.000 2.334 42 L HA 0.847 5.187 4.340 -0.000 0.000 0.270 42 L C -0.099 176.766 176.870 -0.009 0.000 1.018 42 L CA -0.325 54.519 54.840 0.007 0.000 0.811 42 L CB 1.658 43.721 42.059 0.006 0.000 1.271 42 L HN 0.771 nan 8.230 nan 0.000 0.443 43 I N -0.947 119.605 120.570 -0.031 0.000 3.033 43 I HA 0.616 4.786 4.170 -0.000 0.000 0.306 43 I C 0.282 176.332 176.117 -0.112 0.000 1.473 43 I CA 0.131 61.397 61.300 -0.056 0.000 0.951 43 I CB 1.793 39.772 38.000 -0.035 0.000 1.338 43 I HN 0.720 nan 8.210 nan 0.000 0.518 44 G N 2.064 110.772 108.800 -0.153 0.000 2.575 44 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.267 44 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.267 44 G C 0.791 175.422 174.900 -0.447 0.000 1.264 44 G CA 0.344 45.284 45.100 -0.265 0.000 0.935 44 G HN 1.561 nan 8.290 nan 0.000 0.568 45 G N -0.277 108.026 108.800 -0.827 0.000 2.462 45 G HA2 0.192 4.152 3.960 -0.000 0.000 0.220 45 G HA3 0.192 4.152 3.960 -0.000 0.000 0.220 45 G C 2.106 176.728 174.900 -0.463 0.000 1.121 45 G CA 2.969 47.163 45.100 -1.512 0.000 0.758 45 G HN 1.907 nan 8.290 nan 0.000 0.559 46 A N 1.354 124.052 122.820 -0.203 0.000 1.858 46 A HA 0.221 4.541 4.320 -0.000 0.000 0.216 46 A C 2.855 180.431 177.584 -0.014 0.000 1.190 46 A CA 2.406 54.440 52.037 -0.006 0.000 0.617 46 A CB -0.970 18.029 19.000 -0.001 0.000 0.827 46 A HN 0.858 nan 8.150 nan 0.000 0.443 47 A N -0.330 122.450 122.820 -0.068 0.000 1.972 47 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 47 A C 2.067 179.628 177.584 -0.037 0.000 1.169 47 A CA 1.498 53.509 52.037 -0.044 0.000 0.635 47 A CB -0.636 18.329 19.000 -0.058 0.000 0.810 47 A HN 0.532 nan 8.150 nan 0.000 0.446 48 I N -0.266 120.252 120.570 -0.088 0.000 2.439 48 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 48 I C 1.295 177.465 176.117 0.089 0.000 1.139 48 I CA 1.103 62.379 61.300 -0.041 0.000 1.438 48 I CB -0.380 37.513 38.000 -0.178 0.000 1.085 48 I HN 0.191 nan 8.210 nan 0.000 0.427 49 D N 0.467 120.954 120.400 0.145 0.000 2.312 49 D HA -0.099 4.541 4.640 -0.000 0.000 0.211 49 D C 2.037 178.400 176.300 0.105 0.000 0.964 49 D CA 0.853 54.965 54.000 0.188 0.000 0.877 49 D CB 0.113 41.052 40.800 0.232 0.000 0.924 49 D HN 0.350 nan 8.370 nan 0.000 0.515 50 E N 0.061 120.303 120.200 0.069 0.000 2.121 50 E HA 0.200 4.550 4.350 -0.000 0.000 0.194 50 E C 1.413 178.035 176.600 0.037 0.000 0.940 50 E CA 0.329 56.758 56.400 0.048 0.000 0.884 50 E CB -0.033 29.689 29.700 0.037 0.000 0.874 50 E HN 0.077 nan 8.360 nan 0.000 0.471 51 A N 0.258 123.094 122.820 0.026 0.000 2.379 51 A HA 0.396 4.716 4.320 -0.000 0.000 0.236 51 A C 1.182 178.777 177.584 0.019 0.000 1.272 51 A CA 0.657 52.705 52.037 0.019 0.000 0.886 51 A CB -0.216 18.790 19.000 0.010 0.000 0.962 51 A HN 0.258 nan 8.150 nan 0.000 0.504 52 G N -0.484 108.333 108.800 0.029 0.000 2.338 52 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.296 52 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.296 52 G C 0.190 175.097 174.900 0.012 0.000 1.040 52 G CA 1.029 46.148 45.100 0.032 0.000 1.004 52 G HN 1.625 nan 8.290 nan 0.000 0.509 53 T N -1.359 113.190 114.554 -0.009 0.000 3.003 53 T HA 0.595 4.945 4.350 -0.000 0.000 0.354 53 T C -2.074 172.588 174.700 -0.062 0.000 1.651 53 T CA -0.033 62.050 62.100 -0.028 0.000 1.103 53 T CB 1.874 70.733 68.868 -0.015 0.000 1.450 53 T HN -0.073 nan 8.240 nan 0.000 0.484 54 P HA 0.215 nan 4.420 nan 0.000 0.230 54 P C 0.393 177.647 177.300 -0.077 0.000 1.168 54 P CA 0.208 63.238 63.100 -0.117 0.000 0.793 54 P CB 0.360 31.980 31.700 -0.132 0.000 0.851 55 L N 2.590 123.785 121.223 -0.047 0.000 2.502 55 L HA 0.494 4.834 4.340 -0.000 0.000 0.247 55 L C -2.650 174.209 176.870 -0.018 0.000 1.180 55 L CA -2.808 52.014 54.840 -0.029 0.000 0.956 55 L CB 0.688 42.734 42.059 -0.020 0.000 1.282 55 L HN -0.238 nan 8.230 nan 0.000 0.470 56 P HA 0.024 nan 4.420 nan 0.000 0.263 56 P C 0.353 177.652 177.300 -0.002 0.000 1.195 56 P CA 0.180 63.276 63.100 -0.007 0.000 0.762 56 P CB 0.911 32.608 31.700 -0.004 0.000 0.799 57 E N 2.329 122.529 120.200 -0.001 0.000 2.200 57 E HA -0.276 4.074 4.350 -0.000 0.000 0.211 57 E C 1.649 178.250 176.600 0.001 0.000 1.048 57 E CA 2.191 58.591 56.400 -0.001 0.000 0.851 57 E CB -0.573 29.128 29.700 0.000 0.000 0.747 57 E HN 0.715 nan 8.360 nan 0.000 0.462 58 E N -0.300 119.903 120.200 0.004 0.000 2.347 58 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 58 E C 1.269 177.876 176.600 0.012 0.000 1.008 58 E CA 1.155 57.560 56.400 0.008 0.000 0.852 58 E CB 0.061 29.767 29.700 0.011 0.000 0.783 58 E HN 0.233 nan 8.360 nan 0.000 0.505 59 T N 1.464 116.025 114.554 0.012 0.000 2.821 59 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 59 T C 1.793 176.506 174.700 0.021 0.000 1.046 59 T CA 0.901 63.013 62.100 0.020 0.000 1.139 59 T CB -0.079 68.798 68.868 0.016 0.000 0.871 59 T HN 0.204 nan 8.240 nan 0.000 0.454 60 L N 0.860 122.089 121.223 0.010 0.000 2.083 60 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 60 L C 2.210 179.076 176.870 -0.006 0.000 1.083 60 L CA 1.404 56.244 54.840 0.000 0.000 0.752 60 L CB -0.788 41.266 42.059 -0.010 0.000 0.899 60 L HN 0.246 nan 8.230 nan 0.000 0.433 61 D N 0.334 120.733 120.400 -0.001 0.000 2.117 61 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 61 D C 2.257 178.561 176.300 0.008 0.000 0.982 61 D CA 0.980 54.978 54.000 -0.003 0.000 0.828 61 D CB 0.021 40.822 40.800 0.002 0.000 0.967 61 D HN 0.146 nan 8.370 nan 0.000 0.464 62 I N 0.675 121.259 120.570 0.024 0.000 2.226 62 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 62 I C 2.099 178.251 176.117 0.059 0.000 1.100 62 I CA 0.862 62.187 61.300 0.042 0.000 1.374 62 I CB -1.133 36.898 38.000 0.052 0.000 1.057 62 I HN 0.197 nan 8.210 nan 0.000 0.413 63 C N 0.498 119.835 119.300 0.062 0.000 2.446 63 C HA -0.034 4.426 4.460 -0.000 0.000 0.279 63 C C 2.849 177.842 174.990 0.006 0.000 1.366 63 C CA 0.236 59.317 59.018 0.105 0.000 1.763 63 C CB -1.070 26.743 27.740 0.122 0.000 1.929 63 C HN 0.431 nan 8.230 nan 0.000 0.509 64 R N 1.004 121.467 120.500 -0.062 0.000 2.193 64 R HA -0.029 4.311 4.340 -0.000 0.000 0.213 64 R C 2.002 178.238 176.300 -0.106 0.000 1.055 64 R CA 0.660 56.669 56.100 -0.152 0.000 0.995 64 R CB -0.179 30.053 30.300 -0.113 0.000 0.893 64 R HN 0.657 nan 8.270 nan 0.000 0.459 65 R N -0.102 120.381 120.500 -0.030 0.000 2.426 65 R HA 0.240 4.580 4.340 -0.000 0.000 0.263 65 R C -0.418 175.907 176.300 0.041 0.000 0.961 65 R CA -0.034 56.065 56.100 -0.002 0.000 1.086 65 R CB 0.541 30.847 30.300 0.009 0.000 1.186 65 R HN -0.155 nan 8.270 nan 0.000 0.537 66 S N 0.143 115.893 115.700 0.083 0.000 2.648 66 S HA 0.205 4.675 4.470 -0.000 0.000 0.305 66 S C -0.436 174.348 174.600 0.306 0.000 1.094 66 S CA -0.834 57.478 58.200 0.187 0.000 0.983 66 S CB 1.930 65.274 63.200 0.241 0.000 1.101 66 S HN 0.080 nan 8.310 nan 0.000 0.514 67 D N 0.767 121.338 120.400 0.286 0.000 2.183 67 D HA 0.410 5.050 4.640 -0.000 0.000 0.205 67 D C 0.574 177.011 176.300 0.229 0.000 0.962 67 D CA 1.024 55.193 54.000 0.281 0.000 0.849 67 D CB 0.185 41.166 40.800 0.301 0.000 0.978 67 D HN 0.586 nan 8.370 nan 0.000 0.488 68 A N -0.810 122.102 122.820 0.153 0.000 2.515 68 A HA 0.706 5.026 4.320 -0.000 0.000 0.299 68 A C -1.733 175.833 177.584 -0.030 0.000 1.179 68 A CA -0.660 51.223 52.037 -0.257 0.000 0.656 68 A CB 0.910 19.857 19.000 -0.089 0.000 1.306 68 A HN -0.015 nan 8.150 nan 0.000 0.459 69 I N 0.613 121.136 120.570 -0.079 0.000 2.500 69 I HA 0.380 4.550 4.170 -0.000 0.000 0.286 69 I C -1.098 175.089 176.117 0.118 0.000 1.063 69 I CA -0.161 61.178 61.300 0.066 0.000 1.062 69 I CB 1.807 39.846 38.000 0.065 0.000 1.223 69 I HN 0.553 nan 8.210 nan 0.000 0.435 70 L N 7.269 128.575 121.223 0.138 0.000 2.272 70 L HA 0.651 4.991 4.340 -0.000 0.000 0.289 70 L C -1.180 175.748 176.870 0.097 0.000 1.032 70 L CA -0.539 54.386 54.840 0.142 0.000 0.810 70 L CB 1.563 43.707 42.059 0.143 0.000 1.205 70 L HN 0.577 nan 8.230 nan 0.000 0.422 71 L N 3.814 125.080 121.223 0.071 0.000 2.354 71 L HA 0.704 5.044 4.340 -0.000 0.000 0.264 71 L C 0.366 177.244 176.870 0.015 0.000 1.008 71 L CA -0.322 54.541 54.840 0.037 0.000 0.819 71 L CB 2.073 44.142 42.059 0.017 0.000 1.339 71 L HN 0.642 nan 8.230 nan 0.000 0.420 72 G N 2.118 110.922 108.800 0.007 0.000 2.618 72 G HA2 0.625 4.585 3.960 -0.000 0.000 0.222 72 G HA3 0.625 4.585 3.960 -0.000 0.000 0.222 72 G C -0.313 174.568 174.900 -0.032 0.000 1.520 72 G CA 0.428 45.526 45.100 -0.004 0.000 0.930 72 G HN 0.960 nan 8.290 nan 0.000 0.547 73 A N -1.436 121.380 122.820 -0.006 0.000 2.594 73 A HA 0.577 4.897 4.320 -0.000 0.000 0.296 73 A C -1.298 176.285 177.584 -0.001 0.000 1.061 73 A CA 0.019 52.052 52.037 -0.006 0.000 0.689 73 A CB 1.248 20.264 19.000 0.027 0.000 1.280 73 A HN 1.666 nan 8.150 nan 0.000 0.406 74 V N -0.837 119.068 119.914 -0.015 0.000 2.531 74 V HA 1.025 5.145 4.120 -0.000 0.000 0.301 74 V C 0.048 176.126 176.094 -0.026 0.000 1.034 74 V CA 0.143 62.414 62.300 -0.049 0.000 0.865 74 V CB 0.824 32.594 31.823 -0.089 0.000 0.995 74 V HN 2.667 nan 8.190 nan 0.000 0.424 75 G N 1.465 110.261 108.800 -0.008 0.000 2.318 75 G HA2 0.659 4.619 3.960 -0.000 0.000 0.302 75 G HA3 0.659 4.619 3.960 -0.000 0.000 0.302 75 G C -0.490 174.588 174.900 0.297 0.000 1.633 75 G CA 0.311 45.470 45.100 0.099 0.000 0.965 75 G HN 2.212 nan 8.290 nan 0.000 0.698 76 G N 0.011 109.074 108.800 0.438 0.000 2.355 76 G HA2 0.655 4.615 3.960 -0.000 0.000 0.296 76 G HA3 0.655 4.615 3.960 -0.000 0.000 0.296 76 G C -2.557 172.494 174.900 0.251 0.000 1.507 76 G CA 0.022 45.355 45.100 0.389 0.000 0.823 76 G HN 0.503 nan 8.290 nan 0.000 0.569 77 P HA 0.053 nan 4.420 nan 0.000 0.229 77 P C 1.586 178.774 177.300 -0.187 0.000 1.160 77 P CA 0.470 63.539 63.100 -0.051 0.000 0.777 77 P CB 0.376 32.039 31.700 -0.062 0.000 0.814 78 K N -0.897 119.198 120.400 -0.508 0.000 2.520 78 K HA -0.121 4.199 4.320 -0.000 0.000 0.197 78 K C 0.176 176.310 176.600 -0.778 0.000 1.043 78 K CA 0.962 56.768 56.287 -0.802 0.000 0.944 78 K CB -0.137 31.579 32.500 -1.307 0.000 0.770 78 K HN 0.323 nan 8.250 nan 0.000 0.480 79 W N -0.229 121.081 121.300 0.016 0.000 2.304 79 W HA 0.118 4.778 4.660 -0.000 0.000 0.326 79 W C 0.141 176.656 176.519 -0.007 0.000 0.920 79 W CA -0.532 56.825 57.345 0.019 0.000 1.518 79 W CB -0.004 29.465 29.460 0.015 0.000 1.112 79 W HN -0.010 nan 8.180 nan 0.000 0.528 80 D N -0.253 120.204 120.400 0.095 0.000 2.351 80 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 80 D C 1.338 177.552 176.300 -0.144 0.000 0.968 80 D CA 1.381 55.349 54.000 -0.053 0.000 0.899 80 D CB -0.031 40.657 40.800 -0.187 0.000 0.907 80 D HN 0.105 nan 8.370 nan 0.000 0.514 81 H N 0.034 119.148 119.070 0.073 0.000 2.524 81 H HA 0.253 4.809 4.556 -0.000 0.000 0.299 81 H C -0.217 175.150 175.328 0.065 0.000 1.074 81 H CA -0.154 55.925 56.048 0.052 0.000 1.115 81 H CB -0.093 29.684 29.762 0.025 0.000 1.522 81 H HN 0.028 nan 8.280 nan 0.000 0.543 82 N N 1.547 120.351 118.700 0.173 0.000 2.362 82 N HA 0.242 4.982 4.740 -0.000 0.000 0.299 82 N C -2.553 173.013 175.510 0.094 0.000 1.170 82 N CA -1.837 51.295 53.050 0.138 0.000 0.825 82 N CB 1.416 39.997 38.487 0.156 0.000 1.299 82 N HN 0.019 nan 8.380 nan 0.000 0.502 83 P HA 0.066 nan 4.420 nan 0.000 0.271 83 P C 0.420 177.743 177.300 0.038 0.000 1.220 83 P CA -0.069 63.060 63.100 0.049 0.000 0.768 83 P CB 0.662 32.385 31.700 0.040 0.000 0.848 84 A N 4.186 127.023 122.820 0.029 0.000 1.913 84 A HA -0.355 3.965 4.320 -0.000 0.000 0.236 84 A C 2.490 180.081 177.584 0.011 0.000 1.760 84 A CA 3.138 55.185 52.037 0.018 0.000 0.740 84 A CB -1.993 17.013 19.000 0.011 0.000 0.847 84 A HN 0.596 nan 8.150 nan 0.000 0.508 85 S N -1.066 114.640 115.700 0.011 0.000 2.423 85 S HA -0.082 4.388 4.470 -0.000 0.000 0.238 85 S C 0.912 175.511 174.600 -0.001 0.000 1.028 85 S CA 1.484 59.687 58.200 0.005 0.000 1.000 85 S CB -0.461 62.745 63.200 0.009 0.000 0.797 85 S HN 0.459 nan 8.310 nan 0.000 0.487 86 L N 1.883 123.112 121.223 0.010 0.000 3.047 86 L HA 0.460 4.800 4.340 -0.000 0.000 0.242 86 L C 0.041 176.909 176.870 -0.004 0.000 1.315 86 L CA -0.315 54.529 54.840 0.006 0.000 1.042 86 L CB 0.130 42.210 42.059 0.036 0.000 1.420 86 L HN 0.074 nan 8.230 nan 0.000 0.517 87 R N -0.500 119.975 120.500 -0.042 0.000 2.837 87 R HA 0.414 4.754 4.340 -0.000 0.000 0.271 87 R C -1.970 174.233 176.300 -0.162 0.000 0.993 87 R CA -1.753 54.302 56.100 -0.074 0.000 0.931 87 R CB 1.434 31.733 30.300 -0.002 0.000 1.206 87 R HN -0.253 nan 8.270 nan 0.000 0.474 88 P HA -0.227 nan 4.420 nan 0.000 0.216 88 P C 0.316 177.532 177.300 -0.140 0.000 1.157 88 P CA 1.470 64.404 63.100 -0.277 0.000 0.880 88 P CB 0.328 31.844 31.700 -0.306 0.000 0.791 89 E N 0.094 120.245 120.200 -0.083 0.000 2.013 89 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 89 E C 1.954 178.532 176.600 -0.038 0.000 1.018 89 E CA 1.566 57.939 56.400 -0.044 0.000 0.834 89 E CB -1.063 28.626 29.700 -0.019 0.000 0.770 89 E HN 0.193 nan 8.360 nan 0.000 0.459 90 K N 0.214 120.595 120.400 -0.032 0.000 2.127 90 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 90 K C 2.091 178.675 176.600 -0.027 0.000 1.047 90 K CA 1.779 58.053 56.287 -0.021 0.000 0.927 90 K CB -0.654 31.836 32.500 -0.017 0.000 0.716 90 K HN 0.244 nan 8.250 nan 0.000 0.450 91 G N 1.142 109.912 108.800 -0.050 0.000 2.446 91 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 91 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 91 G C 1.352 176.231 174.900 -0.036 0.000 1.168 91 G CA 0.963 46.032 45.100 -0.051 0.000 0.771 91 G HN 0.320 nan 8.290 nan 0.000 0.551 92 L N 0.496 121.695 121.223 -0.039 0.000 1.989 92 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 92 L C 2.756 179.618 176.870 -0.014 0.000 1.071 92 L CA 1.489 56.312 54.840 -0.028 0.000 0.749 92 L CB -0.756 41.284 42.059 -0.032 0.000 0.890 92 L HN 0.230 nan 8.230 nan 0.000 0.431 93 L N -0.619 120.599 121.223 -0.007 0.000 1.989 93 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 93 L C 2.531 179.409 176.870 0.013 0.000 1.071 93 L CA 1.619 56.465 54.840 0.009 0.000 0.749 93 L CB -1.384 40.687 42.059 0.020 0.000 0.890 93 L HN 0.507 nan 8.230 nan 0.000 0.431 94 G N 0.130 108.934 108.800 0.007 0.000 2.574 94 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.220 94 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.220 94 G C 1.530 176.434 174.900 0.007 0.000 1.173 94 G CA 1.292 46.397 45.100 0.008 0.000 0.772 94 G HN 0.288 nan 8.290 nan 0.000 0.585 95 L N 0.579 121.804 121.223 0.003 0.000 2.013 95 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 95 L C 2.755 179.635 176.870 0.016 0.000 1.073 95 L CA 2.560 57.406 54.840 0.010 0.000 0.753 95 L CB -0.686 41.380 42.059 0.011 0.000 0.890 95 L HN 0.256 nan 8.230 nan 0.000 0.432 96 R N -0.848 119.657 120.500 0.009 0.000 2.083 96 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 96 R C 2.370 178.676 176.300 0.010 0.000 1.137 96 R CA 2.076 58.179 56.100 0.005 0.000 0.951 96 R CB -0.094 30.201 30.300 -0.007 0.000 0.851 96 R HN 0.298 nan 8.270 nan 0.000 0.434 97 K N 0.130 120.538 120.400 0.015 0.000 2.002 97 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 97 K C 1.917 178.521 176.600 0.006 0.000 1.048 97 K CA 1.628 57.923 56.287 0.013 0.000 0.930 97 K CB -0.624 31.890 32.500 0.023 0.000 0.714 97 K HN 0.340 nan 8.250 nan 0.000 0.438 98 E N 0.058 120.260 120.200 0.004 0.000 2.233 98 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 98 E C 1.687 178.276 176.600 -0.018 0.000 1.004 98 E CA 1.452 57.848 56.400 -0.007 0.000 0.819 98 E CB -0.226 29.471 29.700 -0.006 0.000 0.738 98 E HN 0.183 nan 8.360 nan 0.000 0.478 99 M N -1.295 118.303 119.600 -0.004 0.000 2.495 99 M HA 0.259 4.739 4.480 -0.000 0.000 0.237 99 M C 0.931 177.227 176.300 -0.006 0.000 1.131 99 M CA 0.782 56.075 55.300 -0.012 0.000 1.032 99 M CB 0.459 33.109 32.600 0.083 0.000 1.513 99 M HN 0.194 nan 8.290 nan 0.000 0.488 100 G N 1.246 110.049 108.800 0.006 0.000 2.246 100 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.273 100 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.273 100 G C -0.229 174.693 174.900 0.037 0.000 1.055 100 G CA -0.056 45.064 45.100 0.033 0.000 0.851 100 G HN 0.438 nan 8.290 nan 0.000 0.500 101 L N 0.134 121.350 121.223 -0.012 0.000 2.278 101 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 101 L C 1.526 178.353 176.870 -0.072 0.000 1.072 101 L CA -0.813 53.953 54.840 -0.124 0.000 0.819 101 L CB 0.334 42.322 42.059 -0.118 0.000 1.176 101 L HN 0.311 nan 8.230 nan 0.000 0.435 102 F N 0.866 120.789 119.950 -0.046 0.000 2.682 102 F HA 0.640 5.167 4.527 -0.000 0.000 0.308 102 F C 0.540 176.315 175.800 -0.043 0.000 1.093 102 F CA -0.802 57.167 58.000 -0.050 0.000 1.244 102 F CB 0.051 39.023 39.000 -0.045 0.000 1.052 102 F HN 0.265 nan 8.300 nan 0.000 0.573 103 A N 1.139 123.848 122.820 -0.185 0.000 2.386 103 A HA 0.647 4.967 4.320 -0.000 0.000 0.311 103 A C -1.492 176.002 177.584 -0.150 0.000 1.068 103 A CA -0.677 51.316 52.037 -0.073 0.000 0.743 103 A CB 0.954 19.890 19.000 -0.107 0.000 1.258 103 A HN 0.283 nan 8.150 nan 0.000 0.429 104 N N 1.447 120.092 118.700 -0.091 0.000 2.342 104 N HA 0.595 5.335 4.740 -0.000 0.000 0.293 104 N C -1.309 174.132 175.510 -0.116 0.000 1.026 104 N CA -0.414 52.566 53.050 -0.116 0.000 0.857 104 N CB 0.937 39.379 38.487 -0.076 0.000 1.256 104 N HN 0.544 nan 8.380 nan 0.000 0.484 105 L N 2.613 123.745 121.223 -0.153 0.000 2.295 105 L HA 0.522 4.862 4.340 -0.000 0.000 0.285 105 L C 0.217 177.042 176.870 -0.074 0.000 1.035 105 L CA -0.832 53.922 54.840 -0.144 0.000 0.806 105 L CB 1.509 43.418 42.059 -0.250 0.000 1.214 105 L HN 0.492 nan 8.230 nan 0.000 0.426 106 R N 3.233 123.707 120.500 -0.045 0.000 2.868 106 R HA 0.323 4.663 4.340 -0.000 0.000 0.289 106 R C -2.546 173.765 176.300 0.018 0.000 1.443 106 R CA -2.005 54.089 56.100 -0.009 0.000 1.651 106 R CB 0.337 30.628 30.300 -0.016 0.000 1.242 106 R HN 0.209 nan 8.270 nan 0.000 0.621 107 P HA -0.037 nan 4.420 nan 0.000 0.260 107 P C -0.876 176.470 177.300 0.077 0.000 1.207 107 P CA 0.280 63.430 63.100 0.083 0.000 0.780 107 P CB 0.759 32.543 31.700 0.140 0.000 0.789 108 V N 5.298 125.248 119.914 0.059 0.000 2.284 108 V HA 0.310 4.430 4.120 -0.000 0.000 0.274 108 V C 0.170 176.286 176.094 0.037 0.000 1.023 108 V CA -0.463 61.871 62.300 0.057 0.000 0.808 108 V CB 1.081 32.931 31.823 0.046 0.000 1.035 108 V HN 0.289 nan 8.190 nan 0.000 0.445 109 K N 4.309 124.723 120.400 0.024 0.000 2.358 109 K HA 0.780 5.100 4.320 -0.000 0.000 0.260 109 K C -0.059 176.447 176.600 -0.158 0.000 0.956 109 K CA -0.215 56.022 56.287 -0.083 0.000 0.834 109 K CB 1.622 34.035 32.500 -0.146 0.000 1.102 109 K HN 0.683 nan 8.250 nan 0.000 0.431 110 A N 4.022 126.757 122.820 -0.142 0.000 2.477 110 A HA 0.325 4.645 4.320 -0.000 0.000 0.246 110 A C -1.067 176.356 177.584 -0.268 0.000 1.078 110 A CA 0.152 52.128 52.037 -0.102 0.000 0.770 110 A CB -0.147 18.826 19.000 -0.046 0.000 1.011 110 A HN 0.678 nan 8.150 nan 0.000 0.494 111 Y N 1.481 121.795 120.300 0.024 0.000 2.328 111 Y HA 0.435 4.985 4.550 -0.000 0.000 0.336 111 Y C 1.302 177.211 175.900 0.015 0.000 0.960 111 Y CA 0.165 58.277 58.100 0.020 0.000 1.134 111 Y CB 1.816 40.289 38.460 0.023 0.000 1.166 111 Y HN 0.836 nan 8.280 nan 0.000 0.464 112 A N 1.749 124.645 122.820 0.125 0.000 1.997 112 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 112 A C 2.221 179.853 177.584 0.081 0.000 1.172 112 A CA 2.603 54.688 52.037 0.079 0.000 0.645 112 A CB -0.811 18.223 19.000 0.056 0.000 0.813 112 A HN 0.777 nan 8.150 nan 0.000 0.454 113 T N -2.207 112.411 114.554 0.107 0.000 3.113 113 T HA 0.249 4.599 4.350 -0.000 0.000 0.256 113 T C 1.135 175.868 174.700 0.056 0.000 1.131 113 T CA 0.951 63.089 62.100 0.063 0.000 1.074 113 T CB -0.342 68.552 68.868 0.043 0.000 0.944 113 T HN 0.355 nan 8.240 nan 0.000 0.516 114 L N -0.121 121.154 121.223 0.087 0.000 2.858 114 L HA 0.401 4.741 4.340 -0.000 0.000 0.251 114 L C 1.993 178.901 176.870 0.063 0.000 1.149 114 L CA -0.067 54.815 54.840 0.070 0.000 0.955 114 L CB 0.000 42.112 42.059 0.088 0.000 1.289 114 L HN 0.192 nan 8.230 nan 0.000 0.542 115 L N 1.209 122.469 121.223 0.062 0.000 2.129 115 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 115 L C 2.232 179.122 176.870 0.033 0.000 1.087 115 L CA 1.362 56.230 54.840 0.046 0.000 0.757 115 L CB -0.729 41.352 42.059 0.036 0.000 0.896 115 L HN 0.565 nan 8.230 nan 0.000 0.434 116 N N 1.170 119.887 118.700 0.029 0.000 2.417 116 N HA -0.164 4.576 4.740 -0.000 0.000 0.187 116 N C 1.091 176.613 175.510 0.020 0.000 1.027 116 N CA 1.381 54.443 53.050 0.020 0.000 0.891 116 N CB -0.216 38.280 38.487 0.016 0.000 0.956 116 N HN 0.350 nan 8.380 nan 0.000 0.442 117 A N -0.088 122.748 122.820 0.026 0.000 2.965 117 A HA 0.345 4.665 4.320 -0.000 0.000 0.304 117 A C 0.149 177.749 177.584 0.028 0.000 1.214 117 A CA -0.507 51.545 52.037 0.024 0.000 0.977 117 A CB 0.065 19.079 19.000 0.024 0.000 1.127 117 A HN 0.187 nan 8.150 nan 0.000 0.572 118 S N -0.200 115.516 115.700 0.027 0.000 2.513 118 S HA 0.596 5.066 4.470 -0.000 0.000 0.299 118 S C -2.074 172.540 174.600 0.022 0.000 1.087 118 S CA -1.239 56.978 58.200 0.028 0.000 1.012 118 S CB 1.410 64.629 63.200 0.032 0.000 1.044 118 S HN 0.098 nan 8.310 nan 0.000 0.485 119 P HA 0.034 nan 4.420 nan 0.000 0.219 119 P C -0.329 176.981 177.300 0.016 0.000 1.146 119 P CA 0.940 64.051 63.100 0.018 0.000 0.808 119 P CB 0.021 31.732 31.700 0.018 0.000 0.779 120 L N -0.640 120.594 121.223 0.018 0.000 2.379 120 L HA 0.249 4.589 4.340 -0.000 0.000 0.269 120 L C 0.670 177.549 176.870 0.015 0.000 1.084 120 L CA -1.049 53.801 54.840 0.016 0.000 0.802 120 L CB 0.639 42.709 42.059 0.019 0.000 1.175 120 L HN -0.232 nan 8.230 nan 0.000 0.448 121 K N 1.843 122.250 120.400 0.011 0.000 2.382 121 K HA 0.055 4.375 4.320 -0.000 0.000 0.275 121 K C 1.183 177.789 176.600 0.009 0.000 1.009 121 K CA -0.403 55.889 56.287 0.009 0.000 0.970 121 K CB 0.864 33.368 32.500 0.006 0.000 0.934 121 K HN 0.565 nan 8.250 nan 0.000 0.479 122 R N 3.657 124.163 120.500 0.009 0.000 2.119 122 R HA -0.274 4.066 4.340 -0.000 0.000 0.246 122 R C 1.352 177.654 176.300 0.004 0.000 1.146 122 R CA 2.259 58.364 56.100 0.008 0.000 0.962 122 R CB -0.604 29.701 30.300 0.008 0.000 0.863 122 R HN 0.859 nan 8.270 nan 0.000 0.442 123 E N 1.306 121.507 120.200 0.002 0.000 2.209 123 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 123 E C 1.732 178.329 176.600 -0.004 0.000 0.993 123 E CA 1.164 57.562 56.400 -0.002 0.000 0.819 123 E CB -0.266 29.432 29.700 -0.003 0.000 0.745 123 E HN 0.519 nan 8.360 nan 0.000 0.477 124 R N 0.120 120.620 120.500 -0.000 0.000 2.223 124 R HA 0.117 4.457 4.340 -0.000 0.000 0.198 124 R C 2.041 178.344 176.300 0.005 0.000 0.984 124 R CA 0.746 56.846 56.100 0.000 0.000 1.018 124 R CB 0.589 30.892 30.300 0.004 0.000 0.945 124 R HN 0.134 nan 8.270 nan 0.000 0.479 125 V N 0.994 120.913 119.914 0.007 0.000 3.562 125 V HA -0.021 4.099 4.120 -0.000 0.000 0.270 125 V C 1.561 177.657 176.094 0.004 0.000 1.418 125 V CA 0.349 62.656 62.300 0.012 0.000 1.033 125 V CB 0.549 32.384 31.823 0.020 0.000 0.820 125 V HN 0.292 nan 8.190 nan 0.000 0.441 126 E N 0.079 120.279 120.200 0.000 0.000 2.455 126 E HA -0.217 4.133 4.350 -0.000 0.000 0.202 126 E C 0.947 177.536 176.600 -0.019 0.000 1.045 126 E CA 1.616 58.012 56.400 -0.007 0.000 0.872 126 E CB -0.271 29.426 29.700 -0.004 0.000 0.792 126 E HN 0.599 nan 8.360 nan 0.000 0.542 127 N N 0.094 118.783 118.700 -0.018 0.000 2.184 127 N HA 0.108 4.848 4.740 -0.000 0.000 0.206 127 N C -0.936 174.561 175.510 -0.022 0.000 1.151 127 N CA -0.115 52.920 53.050 -0.024 0.000 0.878 127 N CB 1.252 39.726 38.487 -0.022 0.000 1.014 127 N HN -0.056 nan 8.380 nan 0.000 0.512 128 V N 1.435 121.340 119.914 -0.014 0.000 2.540 128 V HA 0.060 4.180 4.120 -0.000 0.000 0.297 128 V C 0.134 176.219 176.094 -0.014 0.000 1.024 128 V CA 0.432 62.733 62.300 0.003 0.000 1.105 128 V CB 0.784 32.619 31.823 0.020 0.000 0.938 128 V HN 0.188 nan 8.190 nan 0.000 0.482 129 D N 3.950 124.357 120.400 0.010 0.000 2.934 129 D HA 0.362 5.002 4.640 -0.000 0.000 0.249 129 D C -0.737 175.589 176.300 0.042 0.000 1.293 129 D CA -0.453 53.550 54.000 0.006 0.000 0.812 129 D CB 0.337 41.129 40.800 -0.013 0.000 1.439 129 D HN 0.348 nan 8.370 nan 0.000 0.555 130 L N -0.994 120.264 121.223 0.057 0.000 2.267 130 L HA 0.960 5.300 4.340 -0.000 0.000 0.264 130 L C -0.808 176.089 176.870 0.045 0.000 1.021 130 L CA -1.096 53.787 54.840 0.071 0.000 0.861 130 L CB 1.268 43.391 42.059 0.107 0.000 1.443 130 L HN -0.117 nan 8.230 nan 0.000 0.475 131 V N 1.484 121.411 119.914 0.022 0.000 2.610 131 V HA 0.387 4.507 4.120 -0.000 0.000 0.298 131 V C -0.674 175.394 176.094 -0.042 0.000 1.067 131 V CA -0.311 61.990 62.300 0.001 0.000 0.894 131 V CB 1.523 33.355 31.823 0.015 0.000 1.015 131 V HN 0.578 nan 8.190 nan 0.000 0.432 132 I N 4.935 125.475 120.570 -0.050 0.000 2.352 132 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 132 I C 0.058 176.138 176.117 -0.061 0.000 1.036 132 I CA -0.157 61.101 61.300 -0.070 0.000 1.336 132 I CB 1.535 39.497 38.000 -0.062 0.000 1.407 132 I HN 0.284 nan 8.210 nan 0.000 0.497 133 V N 7.843 127.723 119.914 -0.056 0.000 2.313 133 V HA 0.383 4.503 4.120 -0.000 0.000 0.278 133 V C 0.452 176.551 176.094 0.008 0.000 1.017 133 V CA -0.765 61.512 62.300 -0.039 0.000 0.823 133 V CB 1.480 33.278 31.823 -0.042 0.000 1.010 133 V HN 0.681 nan 8.190 nan 0.000 0.443 134 R N 3.358 123.861 120.500 0.005 0.000 2.540 134 R HA 0.422 4.762 4.340 -0.000 0.000 0.287 134 R C -0.313 176.035 176.300 0.080 0.000 0.980 134 R CA -0.579 55.540 56.100 0.032 0.000 0.966 134 R CB 1.405 31.704 30.300 -0.002 0.000 1.106 134 R HN 0.652 nan 8.270 nan 0.000 0.480 135 E N 4.201 124.481 120.200 0.133 0.000 2.301 135 E HA 0.114 4.464 4.350 -0.000 0.000 0.275 135 E C -0.091 176.586 176.600 0.128 0.000 1.030 135 E CA -0.145 56.377 56.400 0.203 0.000 0.852 135 E CB 1.231 31.127 29.700 0.327 0.000 1.060 135 E HN 0.666 nan 8.360 nan 0.000 0.401 136 L N 2.427 123.719 121.223 0.115 0.000 2.966 136 L HA 0.146 4.486 4.340 -0.000 0.000 0.262 136 L C 1.438 178.245 176.870 -0.104 0.000 1.165 136 L CA -0.064 54.800 54.840 0.040 0.000 0.978 136 L CB 0.441 42.522 42.059 0.038 0.000 1.337 136 L HN 0.373 nan 8.230 nan 0.000 0.563 137 T N -0.255 114.196 114.554 -0.172 0.000 2.904 137 T HA 0.175 4.525 4.350 -0.000 0.000 0.243 137 T C 1.106 175.277 174.700 -0.882 0.000 1.024 137 T CA 0.895 62.692 62.100 -0.505 0.000 1.158 137 T CB 0.186 68.907 68.868 -0.246 0.000 0.867 137 T HN 0.386 nan 8.240 nan 0.000 0.429 138 G N -0.576 107.909 108.800 -0.526 0.000 2.702 138 G HA2 0.583 4.543 3.960 -0.000 0.000 0.254 138 G HA3 0.583 4.543 3.960 -0.000 0.000 0.254 138 G C 0.101 174.690 174.900 -0.519 0.000 1.380 138 G CA -0.083 44.597 45.100 -0.700 0.000 1.042 138 G HN 0.801 nan 8.290 nan 0.000 0.557 139 G N -2.481 105.902 108.800 -0.695 0.000 2.462 139 G HA2 0.070 4.030 3.960 -0.000 0.000 0.685 139 G HA3 0.070 4.030 3.960 -0.000 0.000 0.685 139 G C 0.498 175.433 174.900 0.057 0.000 1.295 139 G CA -0.054 44.927 45.100 -0.198 0.000 0.941 139 G HN 0.953 nan 8.290 nan 0.000 0.554 140 L N -0.430 120.858 121.223 0.109 0.000 2.051 140 L HA -0.090 4.250 4.340 -0.000 0.000 0.214 140 L C 2.828 179.706 176.870 0.013 0.000 1.076 140 L CA 2.666 57.532 54.840 0.042 0.000 0.758 140 L CB -0.780 41.269 42.059 -0.016 0.000 0.890 140 L HN 0.654 nan 8.230 nan 0.000 0.433 141 Y N -1.028 119.167 120.300 -0.176 0.000 2.040 141 Y HA -0.296 4.254 4.550 -0.000 0.000 0.275 141 Y C 2.180 177.792 175.900 -0.480 0.000 1.171 141 Y CA 1.926 59.771 58.100 -0.424 0.000 1.123 141 Y CB -0.972 37.029 38.460 -0.765 0.000 0.963 141 Y HN 0.111 nan 8.280 nan 0.000 0.493 142 F N -1.083 118.910 119.950 0.072 0.000 2.746 142 F HA 0.335 4.862 4.527 -0.000 0.000 0.297 142 F C 1.681 177.457 175.800 -0.040 0.000 1.113 142 F CA -0.293 57.704 58.000 -0.004 0.000 1.367 142 F CB -0.868 38.110 39.000 -0.037 0.000 1.111 142 F HN -0.126 nan 8.300 nan 0.000 0.590 143 G N 1.022 109.892 108.800 0.116 0.000 2.432 143 G HA2 0.379 4.339 3.960 -0.000 0.000 0.239 143 G HA3 0.379 4.339 3.960 -0.000 0.000 0.239 143 G C -0.417 174.495 174.900 0.020 0.000 1.291 143 G CA -0.169 44.956 45.100 0.042 0.000 0.863 143 G HN 0.048 nan 8.290 nan 0.000 0.560 144 R N 1.195 121.704 120.500 0.015 0.000 2.807 144 R HA 0.570 4.910 4.340 -0.000 0.000 0.276 144 R C -2.052 174.250 176.300 0.003 0.000 0.979 144 R CA -1.604 54.499 56.100 0.006 0.000 0.928 144 R CB 1.941 32.247 30.300 0.011 0.000 1.191 144 R HN 0.453 nan 8.270 nan 0.000 0.471 145 P HA 0.257 nan 4.420 nan 0.000 0.276 145 P C -1.013 176.279 177.300 -0.014 0.000 1.261 145 P CA -0.447 62.649 63.100 -0.006 0.000 0.800 145 P CB 1.305 33.001 31.700 -0.006 0.000 1.066 146 S N -0.443 115.245 115.700 -0.020 0.000 2.461 146 S HA 0.348 4.818 4.470 -0.000 0.000 0.216 146 S C -0.758 173.825 174.600 -0.029 0.000 1.201 146 S CA -0.550 57.630 58.200 -0.033 0.000 1.171 146 S CB -0.205 62.968 63.200 -0.046 0.000 1.169 146 S HN 0.600 nan 8.310 nan 0.000 0.456 147 E N 2.571 122.756 120.200 -0.025 0.000 2.435 147 E HA 0.564 4.914 4.350 -0.000 0.000 0.272 147 E C -1.250 175.339 176.600 -0.020 0.000 1.031 147 E CA -1.390 54.997 56.400 -0.021 0.000 0.872 147 E CB 1.099 30.790 29.700 -0.015 0.000 1.588 147 E HN 0.355 nan 8.360 nan 0.000 0.460 148 R N 0.222 120.712 120.500 -0.017 0.000 2.711 148 R HA 0.686 5.026 4.340 -0.000 0.000 0.284 148 R C -0.407 175.887 176.300 -0.011 0.000 0.968 148 R CA -0.824 55.267 56.100 -0.014 0.000 0.924 148 R CB 2.059 32.350 30.300 -0.015 0.000 1.162 148 R HN 0.577 nan 8.270 nan 0.000 0.465 149 R N -0.148 120.347 120.500 -0.009 0.000 2.844 149 R HA 0.684 5.024 4.340 -0.000 0.000 0.264 149 R C -0.780 175.516 176.300 -0.006 0.000 1.077 149 R CA -0.739 55.357 56.100 -0.007 0.000 0.953 149 R CB 1.046 31.342 30.300 -0.006 0.000 1.272 149 R HN 0.802 nan 8.270 nan 0.000 0.447 150 G N 0.785 109.582 108.800 -0.005 0.000 2.733 150 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 150 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 150 G C -2.472 172.425 174.900 -0.004 0.000 1.373 150 G CA -0.903 44.194 45.100 -0.004 0.000 0.838 150 G HN 0.523 nan 8.290 nan 0.000 0.588 151 P HA 0.251 nan 4.420 nan 0.000 0.242 151 P C 0.975 178.272 177.300 -0.004 0.000 1.116 151 P CA 1.971 65.069 63.100 -0.003 0.000 0.954 151 P CB -0.444 31.254 31.700 -0.003 0.000 0.908 152 G N 3.258 112.056 108.800 -0.004 0.000 2.385 152 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.294 152 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.294 152 G C 0.141 175.037 174.900 -0.006 0.000 1.070 152 G CA 0.060 45.157 45.100 -0.005 0.000 1.172 152 G HN 0.581 nan 8.290 nan 0.000 0.516 153 E N -1.691 118.505 120.200 -0.007 0.000 2.228 153 E HA -0.294 4.056 4.350 -0.000 0.000 0.213 153 E C 1.257 177.852 176.600 -0.008 0.000 1.282 153 E CA 0.712 57.108 56.400 -0.008 0.000 0.707 153 E CB -0.845 28.850 29.700 -0.009 0.000 1.150 153 E HN 0.691 nan 8.360 nan 0.000 0.362 154 N N 0.967 119.663 118.700 -0.007 0.000 2.173 154 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 154 N C 0.453 175.959 175.510 -0.007 0.000 1.025 154 N CA 1.555 54.601 53.050 -0.006 0.000 0.852 154 N CB 0.414 38.898 38.487 -0.005 0.000 0.998 154 N HN 0.524 nan 8.380 nan 0.000 0.427 155 E N -0.484 119.712 120.200 -0.007 0.000 2.244 155 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 155 E C -1.269 175.325 176.600 -0.011 0.000 0.914 155 E CA -0.938 55.457 56.400 -0.008 0.000 0.794 155 E CB 2.436 32.132 29.700 -0.007 0.000 1.210 155 E HN -0.121 nan 8.360 nan 0.000 0.414 156 V N 1.859 121.765 119.914 -0.013 0.000 3.040 156 V HA 0.740 4.860 4.120 -0.000 0.000 0.312 156 V C -1.121 174.963 176.094 -0.018 0.000 1.115 156 V CA -0.392 61.898 62.300 -0.017 0.000 0.998 156 V CB 2.021 33.831 31.823 -0.021 0.000 1.042 156 V HN 0.789 nan 8.190 nan 0.000 0.433 157 V N 1.074 120.975 119.914 -0.022 0.000 3.216 157 V HA 0.806 4.926 4.120 -0.000 0.000 0.302 157 V C -1.705 174.371 176.094 -0.031 0.000 1.286 157 V CA -0.694 61.592 62.300 -0.022 0.000 1.048 157 V CB 2.301 34.115 31.823 -0.015 0.000 1.081 157 V HN 0.851 nan 8.190 nan 0.000 0.442 158 D N 0.407 120.787 120.400 -0.033 0.000 2.661 158 D HA 0.644 5.284 4.640 -0.000 0.000 0.228 158 D C -1.112 175.171 176.300 -0.027 0.000 1.183 158 D CA -0.210 53.764 54.000 -0.043 0.000 0.844 158 D CB 2.615 43.374 40.800 -0.067 0.000 1.555 158 D HN 0.800 nan 8.370 nan 0.000 0.453 159 T N 1.236 115.777 114.554 -0.022 0.000 2.829 159 T HA 0.294 4.644 4.350 -0.000 0.000 0.280 159 T C -0.471 174.228 174.700 -0.001 0.000 0.999 159 T CA -0.586 61.511 62.100 -0.006 0.000 0.983 159 T CB 1.249 70.118 68.868 0.000 0.000 0.968 159 T HN 0.088 nan 8.240 nan 0.000 0.446 160 L N 4.119 125.349 121.223 0.011 0.000 2.287 160 L HA 0.767 5.107 4.340 -0.000 0.000 0.280 160 L C -0.460 176.432 176.870 0.036 0.000 1.055 160 L CA -1.059 53.795 54.840 0.023 0.000 0.863 160 L CB -0.770 41.311 42.059 0.036 0.000 1.245 160 L HN 0.759 nan 8.230 nan 0.000 0.432 161 A N 4.997 127.807 122.820 -0.016 0.000 2.330 161 A HA 0.734 5.054 4.320 -0.000 0.000 0.313 161 A C -1.757 175.759 177.584 -0.113 0.000 1.124 161 A CA -0.363 51.667 52.037 -0.012 0.000 0.774 161 A CB 0.796 19.787 19.000 -0.015 0.000 1.198 161 A HN 0.608 nan 8.150 nan 0.000 0.465 162 Y N 0.320 120.643 120.300 0.038 0.000 2.524 162 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 162 Y C 0.786 176.693 175.900 0.012 0.000 1.005 162 Y CA -0.183 57.937 58.100 0.032 0.000 1.025 162 Y CB 2.614 41.119 38.460 0.074 0.000 1.275 162 Y HN 0.828 nan 8.280 nan 0.000 0.460 163 T N -1.241 113.420 114.554 0.178 0.000 2.944 163 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 163 T C 1.011 175.750 174.700 0.064 0.000 1.010 163 T CA -0.781 61.367 62.100 0.081 0.000 1.025 163 T CB 1.888 70.767 68.868 0.019 0.000 1.079 163 T HN 0.708 nan 8.240 nan 0.000 0.516 164 R N 0.704 121.214 120.500 0.018 0.000 2.094 164 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 164 R C 2.394 178.658 176.300 -0.060 0.000 1.137 164 R CA 2.273 58.361 56.100 -0.019 0.000 0.943 164 R CB -0.506 29.780 30.300 -0.022 0.000 0.850 164 R HN 0.916 nan 8.270 nan 0.000 0.433 165 E N 0.431 120.593 120.200 -0.064 0.000 2.150 165 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 165 E C 1.386 177.891 176.600 -0.158 0.000 0.985 165 E CA 1.490 57.826 56.400 -0.107 0.000 0.814 165 E CB -0.066 29.576 29.700 -0.097 0.000 0.752 165 E HN 0.565 nan 8.360 nan 0.000 0.466 166 E N 0.638 120.775 120.200 -0.105 0.000 2.077 166 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 166 E C 2.305 178.822 176.600 -0.138 0.000 0.989 166 E CA 1.469 57.807 56.400 -0.105 0.000 0.800 166 E CB -0.123 29.628 29.700 0.085 0.000 0.746 166 E HN 0.403 nan 8.360 nan 0.000 0.452 167 I N 1.126 121.608 120.570 -0.146 0.000 2.439 167 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 167 I C 2.162 178.008 176.117 -0.451 0.000 1.139 167 I CA 0.953 62.024 61.300 -0.381 0.000 1.438 167 I CB -0.252 37.517 38.000 -0.386 0.000 1.085 167 I HN 0.101 nan 8.210 nan 0.000 0.427 168 E N 1.386 121.410 120.200 -0.293 0.000 2.015 168 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 168 E C 2.250 178.722 176.600 -0.213 0.000 0.991 168 E CA 1.347 57.606 56.400 -0.235 0.000 0.802 168 E CB -0.237 29.372 29.700 -0.152 0.000 0.759 168 E HN 0.530 nan 8.360 nan 0.000 0.447 169 R N 0.980 121.329 120.500 -0.250 0.000 2.103 169 R HA -0.163 4.177 4.340 -0.000 0.000 0.242 169 R C 2.319 178.536 176.300 -0.138 0.000 1.142 169 R CA 1.451 57.400 56.100 -0.251 0.000 0.960 169 R CB -0.624 29.335 30.300 -0.568 0.000 0.858 169 R HN 0.147 nan 8.270 nan 0.000 0.439 170 I N 1.681 122.131 120.570 -0.201 0.000 2.202 170 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 170 I C 2.232 178.309 176.117 -0.067 0.000 1.091 170 I CA 1.347 62.654 61.300 0.010 0.000 1.368 170 I CB -0.389 37.620 38.000 0.015 0.000 1.058 170 I HN 0.256 nan 8.210 nan 0.000 0.410 171 I N 0.184 120.615 120.570 -0.230 0.000 2.394 171 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 171 I C 2.332 178.421 176.117 -0.046 0.000 1.136 171 I CA 0.789 61.947 61.300 -0.237 0.000 1.425 171 I CB -0.369 37.407 38.000 -0.374 0.000 1.079 171 I HN 0.198 nan 8.210 nan 0.000 0.425 172 E N 1.129 121.333 120.200 0.008 0.000 2.152 172 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 172 E C 1.987 178.629 176.600 0.070 0.000 0.983 172 E CA 1.059 57.516 56.400 0.095 0.000 0.818 172 E CB 0.112 29.867 29.700 0.091 0.000 0.758 172 E HN 0.225 nan 8.360 nan 0.000 0.467 173 K N 0.319 120.754 120.400 0.059 0.000 2.228 173 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 173 K C 1.727 178.312 176.600 -0.025 0.000 1.051 173 K CA 1.011 57.331 56.287 0.055 0.000 0.960 173 K CB -0.134 32.437 32.500 0.117 0.000 0.743 173 K HN 0.053 nan 8.250 nan 0.000 0.458 174 A N -0.262 122.500 122.820 -0.097 0.000 1.872 174 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 174 A C 1.876 179.326 177.584 -0.224 0.000 1.187 174 A CA 1.011 52.939 52.037 -0.181 0.000 0.614 174 A CB -0.780 18.058 19.000 -0.271 0.000 0.826 174 A HN 0.298 nan 8.150 nan 0.000 0.442 175 F N 0.763 120.537 119.950 -0.293 0.000 2.192 175 F HA -0.238 4.289 4.527 -0.000 0.000 0.301 175 F C 2.699 178.260 175.800 -0.398 0.000 1.079 175 F CA 1.876 59.559 58.000 -0.528 0.000 1.303 175 F CB -0.498 37.790 39.000 -1.186 0.000 1.024 175 F HN 0.351 nan 8.300 nan 0.000 0.494 176 Q N -0.286 119.486 119.800 -0.046 0.000 2.079 176 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 176 Q C 2.327 178.386 176.000 0.099 0.000 0.974 176 Q CA 1.368 57.232 55.803 0.102 0.000 0.840 176 Q CB -0.332 28.482 28.738 0.128 0.000 0.898 176 Q HN 0.427 nan 8.270 nan 0.000 0.430 177 L N 0.142 121.396 121.223 0.053 0.000 2.056 177 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 177 L C 2.542 179.458 176.870 0.076 0.000 1.078 177 L CA 0.840 55.730 54.840 0.083 0.000 0.749 177 L CB -0.683 41.391 42.059 0.026 0.000 0.901 177 L HN 0.191 nan 8.230 nan 0.000 0.433 178 A N -0.160 122.677 122.820 0.029 0.000 1.933 178 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 178 A C 2.235 179.873 177.584 0.090 0.000 1.175 178 A CA 1.898 53.959 52.037 0.039 0.000 0.628 178 A CB -0.478 18.519 19.000 -0.005 0.000 0.814 178 A HN 0.404 nan 8.150 nan 0.000 0.444 179 Q N 0.525 120.399 119.800 0.122 0.000 2.079 179 Q HA -0.083 4.256 4.340 -0.000 0.000 0.200 179 Q C 1.654 177.726 176.000 0.120 0.000 0.974 179 Q CA 1.869 57.767 55.803 0.158 0.000 0.840 179 Q CB -0.572 28.307 28.738 0.235 0.000 0.898 179 Q HN 0.831 nan 8.270 nan 0.000 0.430 180 I N -2.806 117.832 120.570 0.114 0.000 3.749 180 I HA 0.203 4.373 4.170 -0.000 0.000 0.314 180 I C 0.722 176.887 176.117 0.079 0.000 1.267 180 I CA -0.023 61.334 61.300 0.094 0.000 1.169 180 I CB 0.112 38.173 38.000 0.101 0.000 1.009 180 I HN -0.007 nan 8.210 nan 0.000 0.444 181 R N 1.296 121.843 120.500 0.079 0.000 2.548 181 R HA 0.465 4.805 4.340 -0.000 0.000 0.107 181 R C 0.406 176.739 176.300 0.056 0.000 1.296 181 R CA -0.729 55.409 56.100 0.065 0.000 1.097 181 R CB 0.253 30.596 30.300 0.072 0.000 0.937 181 R HN 0.092 nan 8.270 nan 0.000 0.400 182 R N 1.974 122.506 120.500 0.054 0.000 2.696 182 R HA 0.212 4.551 4.340 -0.000 0.000 0.355 182 R C -0.699 175.634 176.300 0.054 0.000 1.138 182 R CA -0.205 55.923 56.100 0.047 0.000 1.059 182 R CB 0.588 30.910 30.300 0.037 0.000 1.380 182 R HN 0.239 nan 8.270 nan 0.000 0.578 183 K N 1.026 121.468 120.400 0.070 0.000 3.213 183 K HA -0.240 4.080 4.320 -0.000 0.000 0.266 183 K C -0.496 176.151 176.600 0.078 0.000 0.911 183 K CA 1.145 57.485 56.287 0.088 0.000 0.684 183 K CB -1.222 31.331 32.500 0.088 0.000 1.402 183 K HN 0.355 nan 8.250 nan 0.000 0.465 184 K N 0.494 120.930 120.400 0.060 0.000 2.578 184 K HA 0.441 4.761 4.320 -0.000 0.000 0.250 184 K C -1.357 175.258 176.600 0.025 0.000 0.955 184 K CA -0.817 55.500 56.287 0.049 0.000 0.825 184 K CB 1.096 33.623 32.500 0.045 0.000 1.151 184 K HN 0.121 nan 8.250 nan 0.000 0.432 185 L N 2.909 124.127 121.223 -0.008 0.000 2.409 185 L HA 0.684 5.024 4.340 -0.000 0.000 0.272 185 L C -1.479 175.343 176.870 -0.080 0.000 0.980 185 L CA -0.223 54.561 54.840 -0.094 0.000 0.826 185 L CB 1.927 43.806 42.059 -0.299 0.000 1.268 185 L HN 0.654 nan 8.230 nan 0.000 0.407 186 A N 3.364 126.162 122.820 -0.036 0.000 2.256 186 A HA 0.668 4.988 4.320 -0.000 0.000 0.317 186 A C -0.332 177.221 177.584 -0.052 0.000 1.318 186 A CA -0.350 51.684 52.037 -0.005 0.000 0.894 186 A CB 0.739 19.817 19.000 0.130 0.000 1.165 186 A HN 0.685 nan 8.150 nan 0.000 0.525 187 S N 2.042 117.720 115.700 -0.037 0.000 2.475 187 S HA 0.506 4.976 4.470 -0.000 0.000 0.281 187 S C -0.380 174.288 174.600 0.113 0.000 1.198 187 S CA -0.321 57.941 58.200 0.102 0.000 1.063 187 S CB 0.263 63.595 63.200 0.220 0.000 0.972 187 S HN 0.642 nan 8.310 nan 0.000 0.486 188 V N 6.235 126.170 119.914 0.035 0.000 2.357 188 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 188 V C -0.224 175.764 176.094 -0.176 0.000 1.018 188 V CA -0.663 61.594 62.300 -0.072 0.000 0.841 188 V CB 1.275 33.011 31.823 -0.146 0.000 0.991 188 V HN 1.008 nan 8.190 nan 0.000 0.437 189 D N 4.240 124.556 120.400 -0.141 0.000 2.961 189 D HA 0.556 5.196 4.640 -0.000 0.000 0.257 189 D C -0.178 176.057 176.300 -0.108 0.000 1.211 189 D CA -0.818 53.102 54.000 -0.132 0.000 1.066 189 D CB 1.170 41.902 40.800 -0.114 0.000 1.291 189 D HN 0.215 nan 8.370 nan 0.000 0.629 190 K N -1.370 119.037 120.400 0.012 0.000 3.307 190 K HA 0.576 4.896 4.320 -0.000 0.000 0.188 190 K C 0.488 177.107 176.600 0.033 0.000 1.063 190 K CA 0.279 56.566 56.287 -0.001 0.000 0.949 190 K CB 0.165 32.712 32.500 0.078 0.000 0.707 190 K HN 0.437 nan 8.250 nan 0.000 0.441 191 A N 0.815 123.648 122.820 0.022 0.000 2.093 191 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 191 A C 1.548 179.142 177.584 0.015 0.000 1.162 191 A CA 2.062 54.112 52.037 0.023 0.000 0.655 191 A CB -0.975 18.026 19.000 0.003 0.000 0.805 191 A HN 0.799 nan 8.150 nan 0.000 0.461 192 N N -1.466 117.239 118.700 0.009 0.000 2.515 192 N HA 0.026 4.766 4.740 -0.000 0.000 0.185 192 N C 0.905 176.424 175.510 0.015 0.000 1.109 192 N CA 1.029 54.084 53.050 0.008 0.000 0.903 192 N CB 0.106 38.594 38.487 0.002 0.000 0.969 192 N HN 0.262 nan 8.380 nan 0.000 0.450 193 V N 0.294 120.223 119.914 0.025 0.000 3.161 193 V HA 0.194 4.314 4.120 -0.000 0.000 0.221 193 V C 0.709 176.828 176.094 0.042 0.000 1.296 193 V CA -0.126 62.193 62.300 0.032 0.000 1.306 193 V CB 0.033 31.877 31.823 0.035 0.000 1.171 193 V HN 0.108 nan 8.190 nan 0.000 0.513 194 L N 1.386 122.643 121.223 0.057 0.000 2.397 194 L HA 0.283 4.623 4.340 -0.000 0.000 0.271 194 L C 1.556 178.461 176.870 0.058 0.000 1.148 194 L CA 0.083 54.960 54.840 0.062 0.000 0.825 194 L CB 0.661 42.769 42.059 0.081 0.000 1.117 194 L HN 0.216 nan 8.230 nan 0.000 0.456 195 E N 1.292 121.526 120.200 0.057 0.000 2.107 195 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 195 E C 2.003 178.648 176.600 0.076 0.000 0.982 195 E CA 1.540 57.974 56.400 0.057 0.000 0.809 195 E CB 0.090 29.820 29.700 0.050 0.000 0.756 195 E HN 0.718 nan 8.360 nan 0.000 0.459 196 S N -0.998 114.756 115.700 0.089 0.000 2.419 196 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 196 S C 2.141 176.816 174.600 0.125 0.000 1.016 196 S CA 1.212 59.483 58.200 0.119 0.000 0.974 196 S CB -0.282 63.006 63.200 0.147 0.000 0.786 196 S HN 0.100 nan 8.310 nan 0.000 0.492 197 S N 1.090 116.848 115.700 0.097 0.000 2.446 197 S HA 0.187 4.657 4.470 -0.000 0.000 0.225 197 S C 2.016 176.695 174.600 0.131 0.000 1.016 197 S CA 0.036 58.298 58.200 0.104 0.000 0.943 197 S CB -0.138 63.104 63.200 0.069 0.000 0.786 197 S HN 0.493 nan 8.310 nan 0.000 0.508 198 R N 0.808 121.363 120.500 0.092 0.000 2.062 198 R HA 0.020 4.360 4.340 -0.000 0.000 0.231 198 R C 2.460 178.811 176.300 0.085 0.000 1.136 198 R CA 1.351 57.491 56.100 0.067 0.000 0.948 198 R CB -0.446 29.881 30.300 0.045 0.000 0.845 198 R HN 0.400 nan 8.270 nan 0.000 0.430 199 M N 0.213 119.869 119.600 0.093 0.000 2.108 199 M HA -0.221 4.259 4.480 -0.000 0.000 0.261 199 M C 2.117 178.476 176.300 0.099 0.000 1.066 199 M CA 1.694 57.041 55.300 0.077 0.000 1.107 199 M CB -0.322 32.320 32.600 0.071 0.000 1.356 199 M HN 0.336 nan 8.290 nan 0.000 0.406 200 W N 1.435 122.708 121.300 -0.045 0.000 2.333 200 W HA -0.274 4.386 4.660 -0.000 0.000 0.316 200 W C 2.302 178.816 176.519 -0.007 0.000 1.215 200 W CA 2.132 59.441 57.345 -0.060 0.000 1.278 200 W CB -0.818 28.588 29.460 -0.090 0.000 1.154 200 W HN 0.316 nan 8.180 nan 0.000 0.486 201 R N 0.682 121.390 120.500 0.347 0.000 2.105 201 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 201 R C 2.276 178.630 176.300 0.090 0.000 1.135 201 R CA 2.196 58.422 56.100 0.210 0.000 0.967 201 R CB -0.398 29.914 30.300 0.020 0.000 0.861 201 R HN 0.249 nan 8.270 nan 0.000 0.442 202 E N 0.281 120.511 120.200 0.050 0.000 2.017 202 E HA -0.196 4.153 4.350 -0.000 0.000 0.193 202 E C 2.030 178.640 176.600 0.017 0.000 0.997 202 E CA 1.676 58.092 56.400 0.026 0.000 0.804 202 E CB -0.190 29.519 29.700 0.016 0.000 0.757 202 E HN 0.389 nan 8.360 nan 0.000 0.448 203 I N 1.340 121.892 120.570 -0.031 0.000 2.423 203 I HA -0.284 3.886 4.170 -0.000 0.000 0.254 203 I C 2.462 178.547 176.117 -0.052 0.000 1.151 203 I CA 0.812 62.066 61.300 -0.077 0.000 1.421 203 I CB -0.334 37.559 38.000 -0.178 0.000 1.079 203 I HN 0.102 nan 8.210 nan 0.000 0.431 204 A N 0.431 123.237 122.820 -0.023 0.000 1.872 204 A HA -0.212 4.108 4.320 -0.000 0.000 0.214 204 A C 2.232 179.950 177.584 0.222 0.000 1.187 204 A CA 1.671 53.771 52.037 0.105 0.000 0.614 204 A CB -0.473 18.644 19.000 0.195 0.000 0.826 204 A HN 0.327 nan 8.150 nan 0.000 0.442 205 E N 0.518 120.836 120.200 0.198 0.000 2.023 205 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 205 E C 2.061 178.715 176.600 0.090 0.000 1.003 205 E CA 1.908 58.413 56.400 0.175 0.000 0.809 205 E CB -0.333 29.452 29.700 0.140 0.000 0.755 205 E HN 0.814 nan 8.360 nan 0.000 0.449 206 E N -1.109 119.121 120.200 0.051 0.000 2.160 206 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 206 E C 1.730 178.324 176.600 -0.010 0.000 0.991 206 E CA 1.634 58.042 56.400 0.013 0.000 0.810 206 E CB -0.431 29.269 29.700 0.001 0.000 0.742 206 E HN 0.094 nan 8.360 nan 0.000 0.466 207 T N 0.440 114.996 114.554 0.003 0.000 3.085 207 T HA 0.136 4.486 4.350 -0.000 0.000 0.263 207 T C 1.796 176.333 174.700 -0.272 0.000 1.127 207 T CA 0.704 62.778 62.100 -0.043 0.000 1.103 207 T CB 0.021 68.926 68.868 0.062 0.000 0.921 207 T HN 0.399 nan 8.240 nan 0.000 0.510 208 A N 2.353 125.034 122.820 -0.232 0.000 1.968 208 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 208 A C 2.148 179.609 177.584 -0.205 0.000 1.169 208 A CA 0.994 52.802 52.037 -0.382 0.000 0.638 208 A CB -0.294 18.710 19.000 0.007 0.000 0.812 208 A HN 0.498 nan 8.150 nan 0.000 0.446 209 K N 0.049 120.384 120.400 -0.109 0.000 2.281 209 K HA -0.160 4.160 4.320 -0.000 0.000 0.203 209 K C 1.835 178.360 176.600 -0.124 0.000 1.046 209 K CA 1.436 57.674 56.287 -0.082 0.000 0.938 209 K CB -0.137 32.331 32.500 -0.054 0.000 0.737 209 K HN 0.503 nan 8.250 nan 0.000 0.458 210 K N 0.484 120.783 120.400 -0.168 0.000 2.305 210 K HA -0.042 4.278 4.320 -0.000 0.000 0.199 210 K C -0.221 176.058 176.600 -0.534 0.000 1.047 210 K CA 0.579 56.672 56.287 -0.324 0.000 0.976 210 K CB 0.359 32.644 32.500 -0.358 0.000 0.765 210 K HN 0.071 nan 8.250 nan 0.000 0.474 211 Y N 0.871 120.990 120.300 -0.302 0.000 2.747 211 Y HA 0.259 4.809 4.550 -0.000 0.000 0.362 211 Y C -1.963 173.851 175.900 -0.143 0.000 1.026 211 Y CA -2.638 55.330 58.100 -0.220 0.000 1.135 211 Y CB 1.103 39.391 38.460 -0.288 0.000 1.175 211 Y HN 0.081 nan 8.280 nan 0.000 0.643 212 P HA -0.134 nan 4.420 nan 0.000 0.221 212 P C 0.064 177.391 177.300 0.045 0.000 1.145 212 P CA 1.399 64.503 63.100 0.008 0.000 0.795 212 P CB 0.572 32.260 31.700 -0.019 0.000 0.775 213 D N 0.041 120.481 120.400 0.066 0.000 2.123 213 D HA -0.052 4.588 4.640 -0.000 0.000 0.200 213 D C 0.880 177.245 176.300 0.107 0.000 0.976 213 D CA 0.500 54.547 54.000 0.078 0.000 0.831 213 D CB -0.846 40.003 40.800 0.082 0.000 0.974 213 D HN 0.011 nan 8.370 nan 0.000 0.469 214 V N 1.106 121.118 119.914 0.164 0.000 2.999 214 V HA -0.038 4.082 4.120 -0.000 0.000 0.307 214 V C 0.639 176.830 176.094 0.163 0.000 1.084 214 V CA 0.014 62.431 62.300 0.195 0.000 1.155 214 V CB 0.964 32.994 31.823 0.344 0.000 0.975 214 V HN 0.154 nan 8.190 nan 0.000 0.490 215 E N 3.320 123.599 120.200 0.131 0.000 2.121 215 E HA 0.298 4.648 4.350 -0.000 0.000 0.255 215 E C -1.059 175.587 176.600 0.078 0.000 0.906 215 E CA -0.840 55.616 56.400 0.093 0.000 0.745 215 E CB 1.297 31.031 29.700 0.058 0.000 1.155 215 E HN 0.545 nan 8.360 nan 0.000 0.424 216 L N 3.233 124.513 121.223 0.096 0.000 2.426 216 L HA 0.257 4.597 4.340 -0.000 0.000 0.271 216 L C -0.808 176.008 176.870 -0.090 0.000 1.169 216 L CA 0.687 55.536 54.840 0.015 0.000 0.836 216 L CB 1.281 43.388 42.059 0.080 0.000 1.112 216 L HN 0.380 nan 8.230 nan 0.000 0.465 217 S N 3.104 118.689 115.700 -0.190 0.000 2.546 217 S HA 0.572 5.042 4.470 -0.000 0.000 0.274 217 S C -1.389 173.041 174.600 -0.283 0.000 1.121 217 S CA -0.638 57.467 58.200 -0.159 0.000 0.887 217 S CB 1.268 64.461 63.200 -0.012 0.000 1.094 217 S HN 0.604 nan 8.310 nan 0.000 0.474 218 H N 1.974 121.089 119.070 0.076 0.000 2.505 218 H HA 0.546 5.102 4.556 -0.000 0.000 0.338 218 H C -0.805 174.553 175.328 0.050 0.000 1.057 218 H CA -0.368 55.721 56.048 0.069 0.000 1.202 218 H CB 1.336 31.141 29.762 0.072 0.000 1.466 218 H HN 0.410 nan 8.280 nan 0.000 0.499 219 M N 3.669 123.353 119.600 0.141 0.000 2.326 219 M HA 0.286 4.766 4.480 -0.000 0.000 0.292 219 M C -0.447 175.854 176.300 0.001 0.000 1.081 219 M CA -0.717 54.625 55.300 0.070 0.000 0.919 219 M CB 2.843 35.486 32.600 0.071 0.000 1.634 219 M HN 0.256 nan 8.290 nan 0.000 0.451 220 L N 1.910 123.118 121.223 -0.026 0.000 2.461 220 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 220 L C 1.485 178.250 176.870 -0.175 0.000 1.197 220 L CA -0.154 54.629 54.840 -0.095 0.000 0.836 220 L CB 0.809 42.825 42.059 -0.072 0.000 1.105 220 L HN 0.635 nan 8.230 nan 0.000 0.477 221 V N 2.631 122.338 119.914 -0.345 0.000 2.469 221 V HA -0.264 3.856 4.120 -0.000 0.000 0.251 221 V C 2.060 177.973 176.094 -0.301 0.000 1.064 221 V CA 2.440 64.459 62.300 -0.469 0.000 1.066 221 V CB -0.511 30.657 31.823 -1.091 0.000 0.667 221 V HN 1.076 nan 8.190 nan 0.000 0.461 222 D N -0.981 119.280 120.400 -0.231 0.000 2.144 222 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 222 D C 2.204 178.454 176.300 -0.083 0.000 0.984 222 D CA 1.554 55.473 54.000 -0.136 0.000 0.834 222 D CB -0.400 40.342 40.800 -0.098 0.000 0.955 222 D HN 0.520 nan 8.370 nan 0.000 0.465 223 S N -0.208 115.452 115.700 -0.066 0.000 2.414 223 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 223 S C 1.966 176.572 174.600 0.010 0.000 1.022 223 S CA 1.293 59.482 58.200 -0.019 0.000 0.958 223 S CB -0.372 62.826 63.200 -0.002 0.000 0.797 223 S HN 0.292 nan 8.310 nan 0.000 0.493 224 T N 2.264 116.808 114.554 -0.016 0.000 2.674 224 T HA -0.035 4.315 4.350 -0.000 0.000 0.265 224 T C 2.090 176.791 174.700 0.000 0.000 1.039 224 T CA 1.372 63.477 62.100 0.008 0.000 1.150 224 T CB -0.833 67.964 68.868 -0.118 0.000 0.864 224 T HN 0.517 nan 8.240 nan 0.000 0.427 225 A N 1.615 124.403 122.820 -0.052 0.000 1.896 225 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 225 A C 2.351 179.937 177.584 0.004 0.000 1.206 225 A CA 2.319 54.334 52.037 -0.036 0.000 0.647 225 A CB -0.881 18.087 19.000 -0.053 0.000 0.828 225 A HN 0.513 nan 8.150 nan 0.000 0.455 226 M N -1.386 118.220 119.600 0.009 0.000 2.086 226 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 226 M C 2.389 178.719 176.300 0.051 0.000 1.067 226 M CA 1.445 56.758 55.300 0.022 0.000 1.116 226 M CB -0.419 32.189 32.600 0.013 0.000 1.348 226 M HN 0.353 nan 8.290 nan 0.000 0.407 227 Q N 0.510 120.364 119.800 0.089 0.000 2.181 227 Q HA -0.100 4.240 4.340 -0.000 0.000 0.205 227 Q C 2.023 178.143 176.000 0.201 0.000 0.980 227 Q CA 1.385 57.278 55.803 0.149 0.000 0.862 227 Q CB -0.649 28.250 28.738 0.268 0.000 0.905 227 Q HN 0.579 nan 8.270 nan 0.000 0.429 228 L N -0.057 121.278 121.223 0.187 0.000 2.450 228 L HA -0.135 4.205 4.340 -0.000 0.000 0.224 228 L C 1.651 178.578 176.870 0.096 0.000 1.149 228 L CA 0.333 55.269 54.840 0.160 0.000 0.816 228 L CB -0.132 41.966 42.059 0.066 0.000 0.932 228 L HN 0.189 nan 8.230 nan 0.000 0.449 229 I N -1.206 119.405 120.570 0.068 0.000 3.136 229 I HA 0.057 4.227 4.170 -0.000 0.000 0.262 229 I C 2.673 178.809 176.117 0.031 0.000 1.132 229 I CA 1.015 62.340 61.300 0.042 0.000 1.450 229 I CB -1.501 36.516 38.000 0.028 0.000 1.315 229 I HN 0.022 nan 8.210 nan 0.000 0.460 230 A N 1.033 123.870 122.820 0.027 0.000 1.883 230 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 230 A C 1.090 178.674 177.584 -0.001 0.000 1.186 230 A CA 2.366 54.409 52.037 0.010 0.000 0.624 230 A CB -0.569 18.434 19.000 0.005 0.000 0.822 230 A HN 0.565 nan 8.150 nan 0.000 0.444 231 N N -2.227 116.472 118.700 -0.002 0.000 3.153 231 N HA 0.147 4.887 4.740 -0.000 0.000 0.208 231 N C -2.632 172.851 175.510 -0.046 0.000 1.462 231 N CA -0.741 52.290 53.050 -0.032 0.000 0.754 231 N CB 1.112 39.559 38.487 -0.066 0.000 1.558 231 N HN -0.049 nan 8.380 nan 0.000 0.605 232 P HA 0.138 nan 4.420 nan 0.000 0.241 232 P C 1.197 178.528 177.300 0.051 0.000 1.191 232 P CA 0.352 63.526 63.100 0.124 0.000 0.771 232 P CB 0.175 31.969 31.700 0.157 0.000 0.929 233 G N 1.377 110.162 108.800 -0.026 0.000 2.559 233 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 233 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 233 G C 1.568 176.411 174.900 -0.096 0.000 1.126 233 G CA 0.349 45.427 45.100 -0.037 0.000 0.778 233 G HN 0.464 nan 8.290 nan 0.000 0.543 234 Q N -0.730 118.931 119.800 -0.232 0.000 2.230 234 Q HA 0.070 4.410 4.340 -0.000 0.000 0.202 234 Q C 0.111 175.900 176.000 -0.351 0.000 0.963 234 Q CA 0.117 55.712 55.803 -0.348 0.000 0.866 234 Q CB -0.184 28.226 28.738 -0.545 0.000 0.931 234 Q HN 0.290 nan 8.270 nan 0.000 0.452 235 F N 1.591 121.532 119.950 -0.014 0.000 2.399 235 F HA 0.175 4.702 4.527 -0.000 0.000 0.342 235 F C 0.932 176.724 175.800 -0.014 0.000 1.106 235 F CA -0.703 57.288 58.000 -0.016 0.000 1.196 235 F CB 1.121 40.110 39.000 -0.018 0.000 1.163 235 F HN 0.045 nan 8.300 nan 0.000 0.547 236 D N 0.906 121.431 120.400 0.209 0.000 2.928 236 D HA 0.150 4.790 4.640 -0.000 0.000 0.265 236 D C -0.653 175.702 176.300 0.091 0.000 1.542 236 D CA 0.787 54.852 54.000 0.110 0.000 1.133 236 D CB 0.279 41.123 40.800 0.073 0.000 1.057 236 D HN 0.097 nan 8.370 nan 0.000 0.331 237 V N 1.596 121.544 119.914 0.057 0.000 2.555 237 V HA 0.474 4.594 4.120 -0.000 0.000 0.302 237 V C -0.131 175.933 176.094 -0.049 0.000 1.038 237 V CA -0.719 61.577 62.300 -0.007 0.000 0.887 237 V CB 1.934 33.732 31.823 -0.042 0.000 0.991 237 V HN 0.180 nan 8.190 nan 0.000 0.434 238 I N 4.280 124.790 120.570 -0.100 0.000 2.465 238 I HA 0.638 4.808 4.170 -0.000 0.000 0.291 238 I C -0.827 175.230 176.117 -0.099 0.000 1.014 238 I CA -0.879 60.329 61.300 -0.153 0.000 1.093 238 I CB 2.124 39.951 38.000 -0.288 0.000 1.267 238 I HN 0.428 nan 8.210 nan 0.000 0.431 239 V N 5.465 125.346 119.914 -0.054 0.000 2.656 239 V HA 0.810 4.930 4.120 -0.000 0.000 0.307 239 V C -0.758 175.424 176.094 0.147 0.000 1.051 239 V CA 0.223 62.552 62.300 0.049 0.000 0.893 239 V CB 2.188 34.040 31.823 0.048 0.000 0.999 239 V HN 0.903 nan 8.190 nan 0.000 0.426 240 T N 3.238 117.876 114.554 0.140 0.000 2.739 240 T HA 0.400 4.750 4.350 -0.000 0.000 0.303 240 T C -0.694 173.837 174.700 -0.281 0.000 1.389 240 T CA 0.109 62.133 62.100 -0.126 0.000 1.001 240 T CB 1.691 70.505 68.868 -0.090 0.000 1.436 240 T HN 1.203 nan 8.240 nan 0.000 0.500 241 E N 1.247 121.041 120.200 -0.676 0.000 2.435 241 E HA 0.195 4.545 4.350 -0.000 0.000 0.254 241 E C 0.926 177.454 176.600 -0.120 0.000 1.289 241 E CA -0.056 56.066 56.400 -0.463 0.000 0.983 241 E CB 0.273 29.606 29.700 -0.611 0.000 1.010 241 E HN 0.555 nan 8.360 nan 0.000 0.509 242 N N 0.134 118.849 118.700 0.024 0.000 2.188 242 N HA -0.199 4.541 4.740 -0.000 0.000 0.184 242 N C 1.521 176.938 175.510 -0.156 0.000 1.018 242 N CA 1.843 54.860 53.050 -0.055 0.000 0.858 242 N CB -0.131 38.325 38.487 -0.053 0.000 0.989 242 N HN 0.635 nan 8.380 nan 0.000 0.426 243 M N -0.780 118.752 119.600 -0.115 0.000 2.160 243 M HA 0.142 4.622 4.480 -0.000 0.000 0.264 243 M C 1.081 177.437 176.300 0.093 0.000 1.073 243 M CA 1.256 56.591 55.300 0.059 0.000 1.142 243 M CB -0.665 31.978 32.600 0.071 0.000 1.358 243 M HN 0.056 nan 8.290 nan 0.000 0.422 244 F N 0.259 120.199 119.950 -0.017 0.000 2.095 244 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 244 F C 2.543 178.302 175.800 -0.068 0.000 1.104 244 F CA 1.259 59.221 58.000 -0.064 0.000 1.232 244 F CB -1.974 36.942 39.000 -0.140 0.000 0.987 244 F HN 0.290 nan 8.300 nan 0.000 0.475 245 G N -0.681 108.187 108.800 0.113 0.000 2.442 245 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.219 245 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.219 245 G C 1.359 176.274 174.900 0.025 0.000 1.141 245 G CA 1.269 46.389 45.100 0.034 0.000 0.763 245 G HN 0.377 nan 8.290 nan 0.000 0.554 246 D N 0.446 120.865 120.400 0.031 0.000 2.117 246 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 246 D C 2.500 178.834 176.300 0.057 0.000 0.987 246 D CA 0.860 54.882 54.000 0.037 0.000 0.829 246 D CB -0.182 40.657 40.800 0.065 0.000 0.961 246 D HN 0.405 nan 8.370 nan 0.000 0.460 247 I N -0.134 120.485 120.570 0.081 0.000 2.277 247 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 247 I C 2.403 178.537 176.117 0.028 0.000 1.094 247 I CA 0.501 61.839 61.300 0.064 0.000 1.393 247 I CB -0.332 37.718 38.000 0.084 0.000 1.078 247 I HN 0.072 nan 8.210 nan 0.000 0.417 248 L N 0.281 121.513 121.223 0.015 0.000 2.131 248 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 248 L C 2.651 179.507 176.870 -0.024 0.000 1.092 248 L CA 1.074 55.898 54.840 -0.026 0.000 0.759 248 L CB -0.518 41.501 42.059 -0.067 0.000 0.903 248 L HN 0.214 nan 8.230 nan 0.000 0.435 249 S N -0.396 115.298 115.700 -0.011 0.000 2.402 249 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 249 S C 1.371 175.973 174.600 0.004 0.000 1.021 249 S CA 1.267 59.461 58.200 -0.009 0.000 0.974 249 S CB -0.127 63.069 63.200 -0.007 0.000 0.800 249 S HN 0.448 nan 8.310 nan 0.000 0.484 250 D N 1.116 121.523 120.400 0.011 0.000 2.137 250 D HA 0.068 4.708 4.640 -0.000 0.000 0.202 250 D C 1.787 178.096 176.300 0.016 0.000 0.970 250 D CA 0.315 54.325 54.000 0.018 0.000 0.837 250 D CB -0.242 40.572 40.800 0.023 0.000 0.981 250 D HN 0.180 nan 8.370 nan 0.000 0.475 251 L N 0.419 121.648 121.223 0.010 0.000 2.127 251 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 251 L C 1.924 178.801 176.870 0.011 0.000 1.089 251 L CA 1.166 56.011 54.840 0.008 0.000 0.757 251 L CB -0.155 41.904 42.059 -0.001 0.000 0.899 251 L HN 0.019 nan 8.230 nan 0.000 0.434 252 A N -1.401 121.422 122.820 0.005 0.000 2.016 252 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 252 A C 2.256 179.855 177.584 0.025 0.000 1.162 252 A CA 1.341 53.384 52.037 0.011 0.000 0.662 252 A CB -0.278 18.719 19.000 -0.005 0.000 0.812 252 A HN 0.483 nan 8.150 nan 0.000 0.450 253 S N -0.140 115.576 115.700 0.027 0.000 2.481 253 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 253 S C 1.837 176.461 174.600 0.040 0.000 0.996 253 S CA 1.253 59.475 58.200 0.037 0.000 0.942 253 S CB -0.340 62.882 63.200 0.036 0.000 0.768 253 S HN 0.778 nan 8.310 nan 0.000 0.520 254 V N 1.508 121.443 119.914 0.034 0.000 2.535 254 V HA 0.037 4.157 4.120 -0.000 0.000 0.246 254 V C 2.087 178.203 176.094 0.035 0.000 1.045 254 V CA 0.839 63.159 62.300 0.033 0.000 1.058 254 V CB -1.155 30.685 31.823 0.027 0.000 0.689 254 V HN 0.577 nan 8.190 nan 0.000 0.461 255 I N 1.984 122.575 120.570 0.036 0.000 2.194 255 I HA -0.197 3.973 4.170 -0.000 0.000 0.246 255 I C 2.442 178.583 176.117 0.040 0.000 1.093 255 I CA 2.546 63.868 61.300 0.037 0.000 1.355 255 I CB -1.381 36.643 38.000 0.039 0.000 1.046 255 I HN 0.466 nan 8.210 nan 0.000 0.413 256 T N -1.737 112.846 114.554 0.048 0.000 3.067 256 T HA 0.334 4.684 4.350 -0.000 0.000 0.261 256 T C 1.667 176.405 174.700 0.064 0.000 1.110 256 T CA 0.443 62.576 62.100 0.055 0.000 1.113 256 T CB -0.160 68.748 68.868 0.066 0.000 0.917 256 T HN 0.853 nan 8.240 nan 0.000 0.499 257 G N 1.563 110.398 108.800 0.058 0.000 2.160 257 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.251 257 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.251 257 G C 0.704 175.646 174.900 0.070 0.000 1.008 257 G CA 0.600 45.733 45.100 0.055 0.000 0.724 257 G HN 1.236 nan 8.290 nan 0.000 0.514 258 S N -1.241 114.514 115.700 0.091 0.000 2.602 258 S HA 0.556 5.026 4.470 -0.000 0.000 0.240 258 S C 0.681 175.337 174.600 0.093 0.000 0.992 258 S CA 0.157 58.425 58.200 0.114 0.000 0.971 258 S CB 0.732 64.055 63.200 0.205 0.000 0.855 258 S HN 1.338 nan 8.310 nan 0.000 0.481 259 L N 2.356 123.623 121.223 0.073 0.000 2.453 259 L HA 0.644 4.984 4.340 -0.000 0.000 0.272 259 L C 1.094 178.003 176.870 0.065 0.000 1.182 259 L CA 1.915 56.797 54.840 0.070 0.000 0.858 259 L CB -0.051 42.043 42.059 0.057 0.000 1.120 259 L HN 0.549 nan 8.230 nan 0.000 0.474 260 G N 3.831 112.684 108.800 0.088 0.000 2.391 260 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.204 260 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.204 260 G C 0.584 175.554 174.900 0.117 0.000 1.012 260 G CA 0.420 45.567 45.100 0.079 0.000 0.651 260 G HN 1.025 nan 8.290 nan 0.000 0.494 261 M N 0.135 119.793 119.600 0.096 0.000 2.347 261 M HA 0.636 5.116 4.480 -0.000 0.000 0.324 261 M C 0.466 176.829 176.300 0.106 0.000 1.028 261 M CA -0.274 55.079 55.300 0.088 0.000 0.988 261 M CB 0.676 33.276 32.600 -0.000 0.000 1.528 261 M HN 0.074 nan 8.290 nan 0.000 0.550 262 L N 4.955 126.248 121.223 0.117 0.000 2.410 262 L HA 0.401 4.741 4.340 -0.000 0.000 0.273 262 L C -2.149 174.775 176.870 0.091 0.000 1.144 262 L CA -1.430 53.477 54.840 0.110 0.000 0.863 262 L CB 0.984 43.100 42.059 0.096 0.000 1.140 262 L HN 0.094 nan 8.230 nan 0.000 0.463 263 P HA 0.250 nan 4.420 nan 0.000 0.283 263 P C -1.532 175.810 177.300 0.071 0.000 1.278 263 P CA -0.575 62.576 63.100 0.085 0.000 0.834 263 P CB 2.033 33.803 31.700 0.118 0.000 1.150 264 S N -0.574 115.164 115.700 0.063 0.000 2.546 264 S HA 0.743 5.213 4.470 -0.000 0.000 0.274 264 S C -1.798 172.808 174.600 0.010 0.000 1.121 264 S CA -0.651 57.561 58.200 0.021 0.000 0.887 264 S CB 0.905 64.092 63.200 -0.022 0.000 1.094 264 S HN 0.637 nan 8.310 nan 0.000 0.474 265 A N 2.595 125.363 122.820 -0.086 0.000 2.476 265 A HA 0.667 4.987 4.320 -0.000 0.000 0.280 265 A C -0.690 176.678 177.584 -0.360 0.000 1.081 265 A CA -0.569 51.301 52.037 -0.278 0.000 0.753 265 A CB 1.386 20.316 19.000 -0.117 0.000 1.248 265 A HN 0.710 nan 8.150 nan 0.000 0.424 266 S N 2.911 118.358 115.700 -0.422 0.000 2.399 266 S HA 0.570 5.040 4.470 -0.000 0.000 0.301 266 S C 0.091 174.441 174.600 -0.416 0.000 1.093 266 S CA -0.240 57.758 58.200 -0.337 0.000 1.077 266 S CB -0.104 62.951 63.200 -0.243 0.000 0.980 266 S HN 0.579 nan 8.310 nan 0.000 0.494 267 L N 3.433 124.412 121.223 -0.407 0.000 2.299 267 L HA 0.750 5.090 4.340 -0.000 0.000 0.268 267 L C 0.533 177.050 176.870 -0.589 0.000 1.012 267 L CA -1.175 53.413 54.840 -0.420 0.000 0.816 267 L CB 1.275 43.116 42.059 -0.364 0.000 1.355 267 L HN 0.607 nan 8.230 nan 0.000 0.457 268 R N -1.912 118.252 120.500 -0.561 0.000 3.041 268 R HA 0.430 4.770 4.340 -0.000 0.000 0.254 268 R C 0.711 176.780 176.300 -0.384 0.000 1.244 268 R CA -0.073 55.491 56.100 -0.893 0.000 1.023 268 R CB 0.768 30.829 30.300 -0.398 0.000 1.332 268 R HN 0.512 nan 8.270 nan 0.000 0.463 269 S N -0.204 115.522 115.700 0.043 0.000 2.365 269 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 269 S C 0.693 175.355 174.600 0.103 0.000 1.039 269 S CA 1.639 59.988 58.200 0.248 0.000 1.033 269 S CB -0.942 62.443 63.200 0.307 0.000 0.887 269 S HN 0.746 nan 8.310 nan 0.000 0.447 270 D N 0.673 121.113 120.400 0.066 0.000 2.399 270 D HA 0.288 4.928 4.640 -0.000 0.000 0.288 270 D C 1.109 177.429 176.300 0.033 0.000 1.197 270 D CA -0.640 53.391 54.000 0.053 0.000 1.081 270 D CB 0.002 40.835 40.800 0.055 0.000 1.139 270 D HN 0.056 nan 8.370 nan 0.000 0.554 271 R N -1.762 118.758 120.500 0.034 0.000 2.276 271 R HA 0.246 4.586 4.340 -0.000 0.000 0.196 271 R C 0.007 176.293 176.300 -0.024 0.000 0.961 271 R CA -0.362 55.733 56.100 -0.010 0.000 1.024 271 R CB -0.813 29.458 30.300 -0.048 0.000 0.940 271 R HN 0.364 nan 8.270 nan 0.000 0.480 272 F N -0.405 119.484 119.950 -0.102 0.000 2.450 272 F HA 0.455 4.982 4.527 -0.000 0.000 0.339 272 F C 0.636 176.370 175.800 -0.110 0.000 1.146 272 F CA 1.304 59.246 58.000 -0.097 0.000 1.267 272 F CB 0.808 39.762 39.000 -0.077 0.000 1.178 272 F HN 0.107 nan 8.300 nan 0.000 0.585 273 G N 4.497 112.709 108.800 -0.980 0.000 2.576 273 G HA2 0.439 4.399 3.960 -0.000 0.000 0.290 273 G HA3 0.439 4.399 3.960 -0.000 0.000 0.290 273 G C -2.144 172.223 174.900 -0.888 0.000 1.442 273 G CA -1.022 43.631 45.100 -0.744 0.000 0.792 273 G HN 0.778 nan 8.290 nan 0.000 0.491 274 M N 1.065 120.210 119.600 -0.758 0.000 2.134 274 M HA 0.656 5.136 4.480 -0.000 0.000 0.310 274 M C -1.849 174.073 176.300 -0.630 0.000 0.966 274 M CA -0.803 54.205 55.300 -0.487 0.000 0.922 274 M CB 1.306 33.768 32.600 -0.231 0.000 1.537 274 M HN 0.501 nan 8.290 nan 0.000 0.424 275 Y N 3.247 123.490 120.300 -0.095 0.000 2.341 275 Y HA 0.558 5.108 4.550 -0.000 0.000 0.337 275 Y C -0.216 175.662 175.900 -0.038 0.000 1.014 275 Y CA -0.530 57.540 58.100 -0.049 0.000 1.111 275 Y CB 1.215 39.663 38.460 -0.019 0.000 1.194 275 Y HN 0.602 nan 8.280 nan 0.000 0.462 276 E N 3.498 123.733 120.200 0.058 0.000 2.390 276 E HA 0.506 4.856 4.350 -0.000 0.000 0.277 276 E C -3.364 173.216 176.600 -0.034 0.000 0.939 276 E CA -2.692 53.708 56.400 -0.001 0.000 0.769 276 E CB 2.950 32.624 29.700 -0.044 0.000 1.251 276 E HN 0.165 nan 8.360 nan 0.000 0.450 277 P HA 0.023 nan 4.420 nan 0.000 0.278 277 P C 0.785 177.951 177.300 -0.222 0.000 1.238 277 P CA -0.475 62.511 63.100 -0.189 0.000 0.794 277 P CB 1.587 33.048 31.700 -0.398 0.000 0.955 278 V N 1.457 121.306 119.914 -0.107 0.000 2.759 278 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 278 V C 1.452 177.530 176.094 -0.026 0.000 1.080 278 V CA 1.547 63.820 62.300 -0.045 0.000 1.101 278 V CB -1.969 29.867 31.823 0.022 0.000 0.698 278 V HN 0.743 nan 8.190 nan 0.000 0.477 279 H N -0.653 118.433 119.070 0.026 0.000 2.639 279 H HA 0.569 5.125 4.556 -0.000 0.000 0.373 279 H C 0.620 175.962 175.328 0.022 0.000 1.372 279 H CA -0.036 56.026 56.048 0.023 0.000 1.448 279 H CB 0.097 29.872 29.762 0.022 0.000 1.544 279 H HN 0.086 nan 8.280 nan 0.000 0.615 280 G N -1.123 107.826 108.800 0.249 0.000 2.531 280 G HA2 0.276 4.236 3.960 -0.000 0.000 0.281 280 G HA3 0.276 4.236 3.960 -0.000 0.000 0.281 280 G C 0.751 175.781 174.900 0.216 0.000 1.382 280 G CA -0.382 44.814 45.100 0.160 0.000 1.045 280 G HN 0.814 nan 8.290 nan 0.000 0.533 281 S N -1.225 114.554 115.700 0.132 0.000 2.461 281 S HA 0.241 4.711 4.470 -0.000 0.000 0.228 281 S C 1.696 176.360 174.600 0.107 0.000 1.005 281 S CA 1.150 59.424 58.200 0.124 0.000 0.942 281 S CB -0.324 62.940 63.200 0.107 0.000 0.776 281 S HN 2.162 nan 8.310 nan 0.000 0.514 282 A N 2.678 125.551 122.820 0.089 0.000 2.364 282 A HA -0.113 4.207 4.320 -0.000 0.000 0.288 282 A C -0.356 177.258 177.584 0.050 0.000 1.433 282 A CA 0.729 52.797 52.037 0.052 0.000 0.757 282 A CB -1.767 17.244 19.000 0.019 0.000 1.098 282 A HN 0.602 nan 8.150 nan 0.000 0.380 283 P HA -0.156 nan 4.420 nan 0.000 0.223 283 P C 0.893 178.213 177.300 0.033 0.000 1.144 283 P CA 1.303 64.440 63.100 0.060 0.000 0.783 283 P CB 0.182 31.930 31.700 0.080 0.000 0.771 284 D N 0.592 121.006 120.400 0.023 0.000 2.117 284 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 284 D C 1.937 178.241 176.300 0.007 0.000 0.982 284 D CA 1.137 55.144 54.000 0.011 0.000 0.828 284 D CB -0.228 40.577 40.800 0.008 0.000 0.967 284 D HN 0.358 nan 8.370 nan 0.000 0.464 285 I N -1.698 118.876 120.570 0.006 0.000 3.793 285 I HA 0.283 4.453 4.170 -0.000 0.000 0.315 285 I C 0.809 176.929 176.117 0.005 0.000 1.275 285 I CA -0.377 60.923 61.300 0.001 0.000 1.214 285 I CB -0.119 37.876 38.000 -0.008 0.000 1.018 285 I HN -0.268 nan 8.210 nan 0.000 0.439 286 A N 1.883 124.712 122.820 0.015 0.000 2.587 286 A HA 0.352 4.672 4.320 -0.000 0.000 0.235 286 A C 1.593 179.186 177.584 0.015 0.000 1.044 286 A CA 0.991 53.041 52.037 0.022 0.000 0.754 286 A CB -0.642 18.380 19.000 0.037 0.000 0.968 286 A HN 1.035 nan 8.150 nan 0.000 0.509 287 G N 1.374 110.182 108.800 0.014 0.000 2.383 287 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.229 287 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.229 287 G C 0.922 175.823 174.900 0.003 0.000 1.089 287 G CA 0.796 45.902 45.100 0.009 0.000 0.640 287 G HN 0.815 nan 8.290 nan 0.000 0.510 288 Q N 0.571 120.372 119.800 0.001 0.000 2.437 288 Q HA 0.359 4.699 4.340 -0.000 0.000 0.210 288 Q C 1.885 177.882 176.000 -0.005 0.000 0.972 288 Q CA 1.105 56.907 55.803 -0.003 0.000 0.903 288 Q CB -0.120 28.616 28.738 -0.003 0.000 0.967 288 Q HN 1.812 nan 8.270 nan 0.000 0.486 289 G N 1.005 109.802 108.800 -0.006 0.000 2.198 289 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.257 289 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.257 289 G C 0.463 175.356 174.900 -0.012 0.000 1.042 289 G CA 0.651 45.745 45.100 -0.009 0.000 0.791 289 G HN 0.352 nan 8.290 nan 0.000 0.502 290 K N -0.260 120.132 120.400 -0.014 0.000 2.348 290 K HA 0.502 4.822 4.320 -0.000 0.000 0.194 290 K C 1.641 178.224 176.600 -0.029 0.000 1.052 290 K CA 0.426 56.702 56.287 -0.018 0.000 1.004 290 K CB 0.502 32.992 32.500 -0.016 0.000 0.873 290 K HN 0.672 nan 8.250 nan 0.000 0.523 291 A N 2.864 125.665 122.820 -0.032 0.000 2.567 291 A HA -0.056 4.264 4.320 -0.000 0.000 0.240 291 A C -0.067 177.483 177.584 -0.056 0.000 1.053 291 A CA -0.005 52.000 52.037 -0.054 0.000 0.755 291 A CB -0.305 18.673 19.000 -0.036 0.000 0.978 291 A HN 0.322 nan 8.150 nan 0.000 0.507 292 N N 3.560 122.206 118.700 -0.089 0.000 2.411 292 N HA 0.288 5.028 4.740 -0.000 0.000 0.259 292 N C -1.370 174.115 175.510 -0.042 0.000 1.103 292 N CA -1.833 51.178 53.050 -0.065 0.000 0.954 292 N CB 1.090 39.531 38.487 -0.076 0.000 1.085 292 N HN 0.314 nan 8.380 nan 0.000 0.485 293 P HA -0.006 nan 4.420 nan 0.000 0.240 293 P C 1.246 178.576 177.300 0.051 0.000 1.190 293 P CA 0.388 63.511 63.100 0.039 0.000 0.781 293 P CB 0.349 32.059 31.700 0.018 0.000 0.931 294 L N -0.300 120.934 121.223 0.019 0.000 2.151 294 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 294 L C 2.680 179.576 176.870 0.043 0.000 1.084 294 L CA 2.061 56.903 54.840 0.004 0.000 0.764 294 L CB -1.900 40.130 42.059 -0.049 0.000 0.891 294 L HN 0.089 nan 8.230 nan 0.000 0.435 295 G N -0.389 108.477 108.800 0.110 0.000 2.433 295 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 295 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 295 G C 1.559 176.512 174.900 0.089 0.000 1.186 295 G CA 1.284 46.469 45.100 0.141 0.000 0.779 295 G HN 0.318 nan 8.290 nan 0.000 0.543 296 T N 0.909 115.522 114.554 0.098 0.000 2.867 296 T HA -0.059 4.291 4.350 -0.000 0.000 0.268 296 T C 2.560 177.289 174.700 0.048 0.000 1.057 296 T CA 1.065 63.199 62.100 0.057 0.000 1.136 296 T CB -0.143 68.760 68.868 0.060 0.000 0.874 296 T HN 0.074 nan 8.240 nan 0.000 0.466 297 V N 1.683 121.623 119.914 0.043 0.000 2.295 297 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 297 V C 2.507 178.617 176.094 0.027 0.000 1.049 297 V CA 1.491 63.806 62.300 0.025 0.000 1.024 297 V CB -0.744 31.086 31.823 0.012 0.000 0.648 297 V HN 0.433 nan 8.190 nan 0.000 0.447 298 L N -0.090 121.157 121.223 0.040 0.000 2.046 298 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 298 L C 2.692 179.599 176.870 0.061 0.000 1.077 298 L CA 1.662 56.536 54.840 0.056 0.000 0.747 298 L CB -0.701 41.407 42.059 0.083 0.000 0.896 298 L HN 0.331 nan 8.230 nan 0.000 0.432 299 S N 0.197 115.940 115.700 0.072 0.000 2.374 299 S HA -0.257 4.213 4.470 -0.000 0.000 0.227 299 S C 2.198 176.818 174.600 0.035 0.000 1.037 299 S CA 1.370 59.631 58.200 0.102 0.000 1.024 299 S CB -0.384 62.880 63.200 0.106 0.000 0.861 299 S HN 0.530 nan 8.310 nan 0.000 0.456 300 A N 1.525 124.350 122.820 0.008 0.000 1.940 300 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 300 A C 2.357 179.883 177.584 -0.097 0.000 1.176 300 A CA 1.882 53.896 52.037 -0.040 0.000 0.631 300 A CB -1.099 17.898 19.000 -0.006 0.000 0.814 300 A HN 0.546 nan 8.150 nan 0.000 0.446 301 A N -0.165 122.620 122.820 -0.058 0.000 1.873 301 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 301 A C 2.152 179.653 177.584 -0.138 0.000 1.186 301 A CA 1.455 53.446 52.037 -0.076 0.000 0.616 301 A CB -0.693 18.292 19.000 -0.025 0.000 0.823 301 A HN 0.479 nan 8.150 nan 0.000 0.442 302 L N -1.050 120.123 121.223 -0.084 0.000 2.043 302 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 302 L C 2.835 179.516 176.870 -0.315 0.000 1.075 302 L CA 1.936 56.749 54.840 -0.046 0.000 0.752 302 L CB -0.583 41.677 42.059 0.335 0.000 0.891 302 L HN 0.575 nan 8.230 nan 0.000 0.432 303 M N 0.064 119.197 119.600 -0.779 0.000 2.115 303 M HA -0.279 4.201 4.480 -0.000 0.000 0.258 303 M C 2.407 178.484 176.300 -0.370 0.000 1.071 303 M CA 2.038 56.566 55.300 -1.286 0.000 1.100 303 M CB -0.212 31.863 32.600 -0.876 0.000 1.292 303 M HN 0.193 nan 8.290 nan 0.000 0.415 304 L N -0.509 120.617 121.223 -0.163 0.000 2.034 304 L HA -0.321 4.019 4.340 -0.000 0.000 0.217 304 L C 2.746 179.599 176.870 -0.027 0.000 1.077 304 L CA 2.047 56.885 54.840 -0.004 0.000 0.769 304 L CB -0.961 41.029 42.059 -0.115 0.000 0.890 304 L HN 0.464 nan 8.230 nan 0.000 0.435 305 R N -0.377 119.999 120.500 -0.206 0.000 2.092 305 R HA -0.196 4.144 4.340 -0.000 0.000 0.226 305 R C 2.430 178.570 176.300 -0.265 0.000 1.140 305 R CA 1.976 57.881 56.100 -0.324 0.000 0.910 305 R CB -0.492 29.416 30.300 -0.652 0.000 0.822 305 R HN 0.170 nan 8.270 nan 0.000 0.433 306 Y N -0.065 120.234 120.300 -0.001 0.000 2.497 306 Y HA 0.004 4.554 4.550 -0.000 0.000 0.292 306 Y C 2.158 178.029 175.900 -0.048 0.000 1.137 306 Y CA 0.793 58.906 58.100 0.023 0.000 1.285 306 Y CB 0.148 38.679 38.460 0.119 0.000 0.991 306 Y HN 0.109 nan 8.280 nan 0.000 0.556 307 S N -2.139 113.517 115.700 -0.073 0.000 2.540 307 S HA 0.235 4.705 4.470 -0.000 0.000 0.222 307 S C 0.323 174.423 174.600 -0.834 0.000 1.008 307 S CA -0.097 57.834 58.200 -0.448 0.000 0.939 307 S CB 0.175 62.988 63.200 -0.644 0.000 0.865 307 S HN 0.351 nan 8.310 nan 0.000 0.499 308 F N 0.029 119.943 119.950 -0.061 0.000 2.960 308 F HA 0.325 4.852 4.527 -0.000 0.000 0.345 308 F C 1.390 177.143 175.800 -0.078 0.000 1.147 308 F CA -0.300 57.651 58.000 -0.082 0.000 1.099 308 F CB 0.018 38.928 39.000 -0.149 0.000 1.219 308 F HN 0.123 nan 8.300 nan 0.000 0.525 309 G N 1.874 110.708 108.800 0.056 0.000 2.380 309 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.298 309 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.298 309 G C 0.364 175.271 174.900 0.012 0.000 0.989 309 G CA 0.416 45.528 45.100 0.020 0.000 0.836 309 G HN 0.413 nan 8.290 nan 0.000 0.511 310 L N -0.028 121.196 121.223 0.001 0.000 2.648 310 L HA 0.262 4.602 4.340 -0.000 0.000 0.238 310 L C 1.767 178.610 176.870 -0.045 0.000 1.316 310 L CA -0.332 54.491 54.840 -0.027 0.000 1.241 310 L CB 0.401 42.398 42.059 -0.103 0.000 1.499 310 L HN 0.213 nan 8.230 nan 0.000 0.411 311 E N 1.957 122.133 120.200 -0.040 0.000 2.048 311 E HA -0.296 4.054 4.350 -0.000 0.000 0.202 311 E C 2.051 178.631 176.600 -0.033 0.000 1.021 311 E CA 1.897 58.266 56.400 -0.052 0.000 0.825 311 E CB 0.104 29.784 29.700 -0.033 0.000 0.756 311 E HN 0.446 nan 8.360 nan 0.000 0.454 312 K N -0.067 120.327 120.400 -0.010 0.000 2.077 312 K HA -0.303 4.017 4.320 -0.000 0.000 0.213 312 K C 1.901 178.501 176.600 0.000 0.000 1.051 312 K CA 2.168 58.457 56.287 0.003 0.000 0.929 312 K CB -0.168 32.343 32.500 0.018 0.000 0.715 312 K HN 0.090 nan 8.250 nan 0.000 0.451 313 E N -0.151 120.045 120.200 -0.006 0.000 2.152 313 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 313 E C 1.777 178.357 176.600 -0.032 0.000 0.983 313 E CA 1.156 57.548 56.400 -0.013 0.000 0.818 313 E CB -0.123 29.558 29.700 -0.031 0.000 0.758 313 E HN 0.470 nan 8.360 nan 0.000 0.467 314 A N 0.814 123.603 122.820 -0.052 0.000 2.014 314 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 314 A C 2.280 179.847 177.584 -0.028 0.000 1.163 314 A CA 1.352 53.352 52.037 -0.061 0.000 0.652 314 A CB -0.488 18.446 19.000 -0.111 0.000 0.808 314 A HN 0.266 nan 8.150 nan 0.000 0.449 315 A N -0.140 122.669 122.820 -0.019 0.000 1.968 315 A HA 0.289 4.609 4.320 -0.000 0.000 0.217 315 A C 2.414 180.007 177.584 0.016 0.000 1.169 315 A CA 1.588 53.626 52.037 0.002 0.000 0.638 315 A CB -0.773 18.228 19.000 0.000 0.000 0.812 315 A HN 0.879 nan 8.150 nan 0.000 0.446 316 A N 0.500 123.326 122.820 0.010 0.000 1.877 316 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 316 A C 2.019 179.615 177.584 0.020 0.000 1.186 316 A CA 1.595 53.641 52.037 0.016 0.000 0.620 316 A CB -0.521 18.486 19.000 0.012 0.000 0.822 316 A HN 0.394 nan 8.150 nan 0.000 0.443 317 I N 0.106 120.684 120.570 0.013 0.000 2.099 317 I HA -0.271 3.899 4.170 -0.000 0.000 0.239 317 I C 2.395 178.535 176.117 0.038 0.000 1.066 317 I CA 2.046 63.356 61.300 0.017 0.000 1.324 317 I CB -1.831 36.172 38.000 0.007 0.000 1.037 317 I HN 0.466 nan 8.210 nan 0.000 0.401 318 E N 0.917 121.150 120.200 0.055 0.000 2.070 318 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 318 E C 2.214 178.889 176.600 0.125 0.000 1.004 318 E CA 1.583 58.050 56.400 0.113 0.000 0.805 318 E CB -0.170 29.601 29.700 0.118 0.000 0.744 318 E HN 0.453 nan 8.360 nan 0.000 0.451 319 K N 0.279 120.729 120.400 0.084 0.000 2.057 319 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 319 K C 2.230 178.871 176.600 0.069 0.000 1.049 319 K CA 1.049 57.383 56.287 0.079 0.000 0.931 319 K CB -0.176 32.355 32.500 0.051 0.000 0.714 319 K HN 0.094 nan 8.250 nan 0.000 0.440 320 A N 1.047 123.896 122.820 0.049 0.000 1.883 320 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 320 A C 2.373 179.977 177.584 0.034 0.000 1.186 320 A CA 1.635 53.694 52.037 0.037 0.000 0.624 320 A CB -0.754 18.261 19.000 0.024 0.000 0.822 320 A HN 0.081 nan 8.150 nan 0.000 0.444 321 V N 0.508 120.435 119.914 0.022 0.000 2.343 321 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 321 V C 2.336 178.409 176.094 -0.035 0.000 1.051 321 V CA 2.455 64.738 62.300 -0.028 0.000 1.036 321 V CB -0.860 30.914 31.823 -0.081 0.000 0.654 321 V HN 0.683 nan 8.190 nan 0.000 0.451 322 D N -0.043 120.392 120.400 0.057 0.000 2.178 322 D HA -0.163 4.477 4.640 -0.000 0.000 0.202 322 D C 1.725 178.077 176.300 0.086 0.000 0.974 322 D CA 1.199 55.282 54.000 0.140 0.000 0.841 322 D CB -0.064 40.914 40.800 0.296 0.000 0.953 322 D HN 0.471 nan 8.370 nan 0.000 0.478 323 D N -0.665 119.774 120.400 0.065 0.000 2.213 323 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 323 D C 2.248 178.578 176.300 0.050 0.000 0.961 323 D CA 0.272 54.303 54.000 0.052 0.000 0.853 323 D CB -0.062 40.769 40.800 0.050 0.000 0.967 323 D HN 0.154 nan 8.370 nan 0.000 0.496 324 V N 1.536 121.487 119.914 0.061 0.000 2.343 324 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 324 V C 2.656 178.794 176.094 0.073 0.000 1.051 324 V CA 1.107 63.473 62.300 0.110 0.000 1.036 324 V CB -0.408 31.477 31.823 0.103 0.000 0.654 324 V HN 0.171 nan 8.190 nan 0.000 0.451 325 L N -0.591 120.645 121.223 0.022 0.000 2.046 325 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 325 L C 2.605 179.460 176.870 -0.025 0.000 1.077 325 L CA 1.632 56.467 54.840 -0.009 0.000 0.747 325 L CB -0.526 41.511 42.059 -0.036 0.000 0.896 325 L HN 0.366 nan 8.230 nan 0.000 0.432 326 Q N -0.577 119.220 119.800 -0.005 0.000 2.436 326 Q HA -0.158 4.182 4.340 -0.000 0.000 0.209 326 Q C 0.766 176.729 176.000 -0.061 0.000 0.965 326 Q CA 0.698 56.491 55.803 -0.017 0.000 0.910 326 Q CB 0.051 28.797 28.738 0.012 0.000 0.980 326 Q HN 0.444 nan 8.270 nan 0.000 0.491 327 D N -0.879 119.467 120.400 -0.089 0.000 2.340 327 D HA 0.079 4.719 4.640 -0.000 0.000 0.220 327 D C 0.918 176.958 176.300 -0.434 0.000 1.039 327 D CA 0.686 54.578 54.000 -0.181 0.000 0.866 327 D CB 0.560 41.315 40.800 -0.076 0.000 0.913 327 D HN 0.361 nan 8.370 nan 0.000 0.523 328 G N -0.153 108.450 108.800 -0.327 0.000 2.157 328 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.239 328 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.239 328 G C -0.222 174.443 174.900 -0.393 0.000 0.982 328 G CA -0.364 44.523 45.100 -0.354 0.000 0.650 328 G HN 0.225 nan 8.290 nan 0.000 0.527 329 Y N 0.542 120.835 120.300 -0.012 0.000 2.310 329 Y HA 0.619 5.169 4.550 -0.000 0.000 0.326 329 Y C 1.108 176.994 175.900 -0.023 0.000 1.151 329 Y CA -0.979 57.111 58.100 -0.016 0.000 1.195 329 Y CB 1.174 39.625 38.460 -0.016 0.000 1.210 329 Y HN 0.883 nan 8.280 nan 0.000 0.483 330 C N -1.117 118.280 119.300 0.162 0.000 3.303 330 C HA 0.459 4.919 4.460 -0.000 0.000 0.340 330 C C 0.761 175.781 174.990 0.049 0.000 1.274 330 C CA -0.345 58.714 59.018 0.068 0.000 1.234 330 C CB 1.123 28.880 27.740 0.029 0.000 1.532 330 C HN 0.924 nan 8.230 nan 0.000 0.483 331 T N -1.464 113.100 114.554 0.017 0.000 3.086 331 T HA 0.554 4.904 4.350 -0.000 0.000 0.250 331 T C 1.311 176.010 174.700 -0.003 0.000 1.074 331 T CA 1.336 63.438 62.100 0.003 0.000 0.988 331 T CB 0.128 68.988 68.868 -0.013 0.000 0.988 331 T HN 2.742 nan 8.240 nan 0.000 0.530 332 G N 1.799 110.598 108.800 -0.001 0.000 2.698 332 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.200 332 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.200 332 G C 0.645 175.538 174.900 -0.012 0.000 2.083 332 G CA 0.546 45.643 45.100 -0.005 0.000 1.629 332 G HN 0.379 nan 8.290 nan 0.000 0.565 333 D N 1.210 121.596 120.400 -0.023 0.000 2.973 333 D HA -0.212 4.428 4.640 -0.000 0.000 0.203 333 D C 1.243 177.532 176.300 -0.019 0.000 1.096 333 D CA 1.821 55.803 54.000 -0.030 0.000 0.876 333 D CB -0.414 40.353 40.800 -0.056 0.000 0.979 333 D HN 0.484 nan 8.370 nan 0.000 0.495 334 L N 2.051 123.262 121.223 -0.020 0.000 2.454 334 L HA 0.063 4.403 4.340 -0.000 0.000 0.284 334 L C 0.314 177.180 176.870 -0.007 0.000 1.139 334 L CA -0.343 54.488 54.840 -0.014 0.000 0.911 334 L CB 0.801 42.843 42.059 -0.029 0.000 1.262 334 L HN 0.086 nan 8.230 nan 0.000 0.453 335 Q N 3.525 123.325 119.800 -0.001 0.000 2.736 335 Q HA 0.093 4.433 4.340 -0.000 0.000 0.234 335 Q C -0.122 175.878 176.000 0.001 0.000 1.354 335 Q CA -0.016 55.788 55.803 0.001 0.000 0.891 335 Q CB -0.263 28.477 28.738 0.004 0.000 1.665 335 Q HN 0.367 nan 8.270 nan 0.000 0.563 336 V N 1.273 121.185 119.914 -0.004 0.000 2.572 336 V HA 0.130 4.250 4.120 -0.000 0.000 0.291 336 V C 0.857 176.943 176.094 -0.012 0.000 1.039 336 V CA -0.648 61.647 62.300 -0.008 0.000 1.055 336 V CB 0.600 32.411 31.823 -0.020 0.000 0.969 336 V HN 0.655 nan 8.190 nan 0.000 0.482 337 A N 5.156 127.970 122.820 -0.009 0.000 2.553 337 A HA 0.177 4.497 4.320 -0.000 0.000 0.258 337 A C 1.181 178.752 177.584 -0.023 0.000 1.069 337 A CA 0.538 52.569 52.037 -0.011 0.000 0.767 337 A CB -0.730 18.266 19.000 -0.007 0.000 0.997 337 A HN 1.183 nan 8.150 nan 0.000 0.512 338 N N 0.844 119.532 118.700 -0.021 0.000 2.816 338 N HA -0.142 4.598 4.740 -0.000 0.000 0.247 338 N C 0.401 175.888 175.510 -0.038 0.000 1.100 338 N CA 0.982 54.015 53.050 -0.029 0.000 0.687 338 N CB -1.155 37.309 38.487 -0.037 0.000 1.003 338 N HN 1.327 nan 8.380 nan 0.000 0.554 339 G N 1.271 110.056 108.800 -0.025 0.000 2.254 339 G HA2 0.061 4.021 3.960 -0.000 0.000 0.253 339 G HA3 0.061 4.021 3.960 -0.000 0.000 0.253 339 G C 0.289 175.182 174.900 -0.012 0.000 1.246 339 G CA 0.008 45.095 45.100 -0.021 0.000 0.946 339 G HN 0.235 nan 8.290 nan 0.000 0.474 340 K N 3.929 124.323 120.400 -0.010 0.000 2.357 340 K HA 0.227 4.547 4.320 -0.000 0.000 0.251 340 K C 0.121 176.779 176.600 0.096 0.000 1.069 340 K CA -0.481 55.826 56.287 0.032 0.000 0.994 340 K CB 0.788 33.290 32.500 0.004 0.000 1.411 340 K HN 0.257 nan 8.250 nan 0.000 0.450 341 V N 4.677 124.628 119.914 0.062 0.000 2.557 341 V HA 0.027 4.147 4.120 -0.000 0.000 0.301 341 V C 0.787 176.916 176.094 0.059 0.000 1.026 341 V CA -0.216 62.116 62.300 0.054 0.000 1.137 341 V CB 0.123 31.963 31.823 0.028 0.000 0.917 341 V HN 0.466 nan 8.190 nan 0.000 0.484 342 V N 1.654 121.597 119.914 0.048 0.000 3.156 342 V HA 0.830 4.950 4.120 -0.000 0.000 0.310 342 V C -0.165 175.926 176.094 -0.004 0.000 1.234 342 V CA -0.639 61.669 62.300 0.015 0.000 1.065 342 V CB 1.971 33.785 31.823 -0.015 0.000 1.088 342 V HN 0.735 nan 8.190 nan 0.000 0.451 343 S N -0.383 115.305 115.700 -0.021 0.000 2.646 343 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 343 S C 1.303 175.887 174.600 -0.027 0.000 1.222 343 S CA 0.401 58.588 58.200 -0.021 0.000 1.014 343 S CB 1.242 64.429 63.200 -0.022 0.000 0.991 343 S HN 1.060 nan 8.310 nan 0.000 0.533 344 T N 3.892 118.432 114.554 -0.022 0.000 2.680 344 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 344 T C 1.669 176.352 174.700 -0.029 0.000 1.033 344 T CA 2.290 64.377 62.100 -0.022 0.000 1.152 344 T CB -0.594 68.264 68.868 -0.017 0.000 0.859 344 T HN 0.598 nan 8.240 nan 0.000 0.452 345 I N 1.303 121.854 120.570 -0.032 0.000 2.163 345 I HA -0.081 4.089 4.170 -0.000 0.000 0.240 345 I C 2.530 178.614 176.117 -0.055 0.000 1.081 345 I CA 1.242 62.519 61.300 -0.039 0.000 1.353 345 I CB -0.770 37.209 38.000 -0.035 0.000 1.054 345 I HN 0.238 nan 8.210 nan 0.000 0.407 346 E N 0.290 120.451 120.200 -0.065 0.000 2.097 346 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 346 E C 2.192 178.716 176.600 -0.126 0.000 1.000 346 E CA 1.294 57.632 56.400 -0.102 0.000 0.804 346 E CB -0.318 29.317 29.700 -0.109 0.000 0.740 346 E HN 0.298 nan 8.360 nan 0.000 0.454 347 L N 0.774 121.945 121.223 -0.087 0.000 1.994 347 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 347 L C 2.303 179.137 176.870 -0.060 0.000 1.071 347 L CA 1.951 56.750 54.840 -0.068 0.000 0.745 347 L CB -0.747 41.296 42.059 -0.028 0.000 0.892 347 L HN 0.057 nan 8.230 nan 0.000 0.431 348 T N -0.577 113.949 114.554 -0.048 0.000 2.737 348 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 348 T C 1.507 176.178 174.700 -0.047 0.000 1.040 348 T CA 1.607 63.684 62.100 -0.039 0.000 1.142 348 T CB -0.416 68.430 68.868 -0.036 0.000 0.861 348 T HN 0.431 nan 8.240 nan 0.000 0.456 349 D N 0.663 121.024 120.400 -0.065 0.000 2.144 349 D HA -0.046 4.594 4.640 -0.000 0.000 0.200 349 D C 2.426 178.681 176.300 -0.076 0.000 0.978 349 D CA 0.713 54.671 54.000 -0.069 0.000 0.833 349 D CB -0.059 40.692 40.800 -0.083 0.000 0.961 349 D HN 0.200 nan 8.370 nan 0.000 0.470 350 R N 0.782 121.219 120.500 -0.106 0.000 2.081 350 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 350 R C 2.622 178.905 176.300 -0.028 0.000 1.131 350 R CA 0.321 56.364 56.100 -0.094 0.000 0.960 350 R CB -1.236 28.981 30.300 -0.138 0.000 0.856 350 R HN 0.299 nan 8.270 nan 0.000 0.436 351 L N 0.431 121.640 121.223 -0.022 0.000 1.943 351 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 351 L C 2.525 179.391 176.870 -0.006 0.000 1.074 351 L CA 1.488 56.324 54.840 -0.006 0.000 0.759 351 L CB -0.629 41.424 42.059 -0.009 0.000 0.888 351 L HN 0.067 nan 8.230 nan 0.000 0.433 352 I N -0.280 120.281 120.570 -0.015 0.000 2.300 352 I HA -0.355 3.815 4.170 -0.000 0.000 0.252 352 I C 2.574 178.685 176.117 -0.009 0.000 1.119 352 I CA 1.423 62.716 61.300 -0.012 0.000 1.384 352 I CB -0.319 37.670 38.000 -0.018 0.000 1.062 352 I HN 0.435 nan 8.210 nan 0.000 0.426 353 E N 1.078 121.271 120.200 -0.013 0.000 2.028 353 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 353 E C 2.210 178.812 176.600 0.003 0.000 0.984 353 E CA 0.866 57.261 56.400 -0.008 0.000 0.800 353 E CB 0.159 29.849 29.700 -0.015 0.000 0.758 353 E HN 0.205 nan 8.360 nan 0.000 0.448 354 K N 0.521 120.928 120.400 0.011 0.000 2.074 354 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 354 K C 2.264 178.874 176.600 0.016 0.000 1.048 354 K CA 1.059 57.358 56.287 0.020 0.000 0.926 354 K CB -0.447 32.070 32.500 0.029 0.000 0.713 354 K HN 0.265 nan 8.250 nan 0.000 0.444 355 L N 0.612 121.841 121.223 0.011 0.000 2.012 355 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 355 L C 1.863 178.738 176.870 0.008 0.000 1.073 355 L CA 1.581 56.427 54.840 0.010 0.000 0.748 355 L CB -0.525 41.539 42.059 0.007 0.000 0.891 355 L HN 0.296 nan 8.230 nan 0.000 0.431 356 N N -0.741 117.962 118.700 0.005 0.000 2.459 356 N HA -0.077 4.663 4.740 -0.000 0.000 0.181 356 N C 0.547 176.060 175.510 0.005 0.000 1.046 356 N CA -0.121 52.930 53.050 0.003 0.000 0.904 356 N CB 0.003 38.490 38.487 -0.000 0.000 0.964 356 N HN 0.297 nan 8.380 nan 0.000 0.444 357 N N 0.000 118.705 118.700 0.008 0.000 1.763 357 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 357 N CA 0.000 53.056 53.050 0.010 0.000 0.885 357 N CB 0.000 38.495 38.487 0.014 0.000 1.341 357 N HN 0.000 nan 8.380 nan 0.000 0.667