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 3iyf_1_E DATA FIRST_RESID 7 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.088 176.094 -0.011 0.000 1.182 7 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 7 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 8 L N 2.189 123.404 121.223 -0.014 0.000 2.408 8 L HA 0.739 5.079 4.340 0.000 0.000 0.268 8 L C -2.258 174.603 176.870 -0.015 0.000 0.986 8 L CA -1.672 53.158 54.840 -0.016 0.000 0.820 8 L CB 1.416 43.460 42.059 -0.026 0.000 1.303 8 L HN 0.007 nan 8.230 nan 0.000 0.411 9 P HA 0.131 nan 4.420 nan 0.000 0.273 9 P C -0.781 176.510 177.300 -0.014 0.000 1.250 9 P CA -0.713 62.380 63.100 -0.011 0.000 0.793 9 P CB 0.351 32.046 31.700 -0.008 0.000 1.011 10 E N 0.317 120.510 120.200 -0.012 0.000 2.437 10 E HA -0.093 4.257 4.350 0.000 0.000 0.263 10 E C -0.304 176.287 176.600 -0.014 0.000 1.030 10 E CA 0.197 56.589 56.400 -0.013 0.000 0.934 10 E CB -0.298 29.396 29.700 -0.010 0.000 0.943 10 E HN 0.547 nan 8.360 nan 0.000 0.444 11 N N 0.277 118.967 118.700 -0.017 0.000 2.949 11 N HA -0.191 4.550 4.740 0.000 0.000 0.180 11 N C -0.439 175.053 175.510 -0.029 0.000 1.101 11 N CA 0.634 53.675 53.050 -0.016 0.000 1.016 11 N CB -1.206 37.277 38.487 -0.007 0.000 0.978 11 N HN 0.495 nan 8.380 nan 0.000 0.558 12 M N 2.276 121.854 119.600 -0.037 0.000 2.997 12 M HA -0.100 4.380 4.480 0.000 0.000 0.401 12 M C -0.510 175.734 176.300 -0.093 0.000 1.798 12 M CA 1.458 56.724 55.300 -0.058 0.000 1.286 12 M CB -0.170 32.400 32.600 -0.050 0.000 2.036 12 M HN 0.021 nan 8.290 nan 0.000 0.480 13 K N 2.724 123.035 120.400 -0.149 0.000 2.182 13 K HA 0.531 4.851 4.320 0.000 0.000 0.262 13 K C -0.329 176.038 176.600 -0.387 0.000 0.957 13 K CA -0.765 55.354 56.287 -0.281 0.000 0.842 13 K CB 1.750 34.044 32.500 -0.343 0.000 1.099 13 K HN 0.442 nan 8.250 nan 0.000 0.438 14 R N 3.081 123.345 120.500 -0.393 0.000 2.445 14 R HA 0.348 4.688 4.340 0.000 0.000 0.308 14 R C -1.346 174.764 176.300 -0.316 0.000 0.961 14 R CA -0.491 55.444 56.100 -0.275 0.000 0.862 14 R CB 0.775 30.998 30.300 -0.127 0.000 1.144 14 R HN 0.655 nan 8.270 nan 0.000 0.447 15 Y N 4.240 124.539 120.300 -0.001 0.000 2.477 15 Y HA 0.399 4.949 4.550 -0.000 0.000 0.347 15 Y C 0.212 176.116 175.900 0.007 0.000 0.981 15 Y CA -1.253 56.845 58.100 -0.002 0.000 1.033 15 Y CB 2.403 40.855 38.460 -0.013 0.000 1.245 15 Y HN 0.373 nan 8.280 nan 0.000 0.455 16 M N 1.059 120.766 119.600 0.178 0.000 2.535 16 M HA 0.813 5.293 4.480 0.000 0.000 0.314 16 M C 0.555 176.901 176.300 0.077 0.000 1.153 16 M CA -0.178 55.184 55.300 0.103 0.000 0.924 16 M CB 2.027 34.674 32.600 0.078 0.000 1.710 16 M HN 0.805 nan 8.290 nan 0.000 0.451 17 G N 2.403 111.241 108.800 0.062 0.000 2.952 17 G HA2 -0.360 3.600 3.960 0.000 0.000 0.346 17 G HA3 -0.360 3.600 3.960 0.000 0.000 0.346 17 G C 1.076 175.993 174.900 0.027 0.000 1.191 17 G CA 1.092 46.220 45.100 0.048 0.000 0.961 17 G HN 0.854 nan 8.290 nan 0.000 0.588 18 R N 0.447 120.959 120.500 0.019 0.000 2.132 18 R HA -0.144 4.196 4.340 0.000 0.000 0.233 18 R C 2.359 178.633 176.300 -0.043 0.000 1.125 18 R CA 2.493 58.590 56.100 -0.004 0.000 0.914 18 R CB -0.785 29.512 30.300 -0.006 0.000 0.845 18 R HN 0.623 nan 8.270 nan 0.000 0.431 19 D N -0.602 119.773 120.400 -0.041 0.000 2.312 19 D HA -0.046 4.594 4.640 0.000 0.000 0.211 19 D C 1.427 177.577 176.300 -0.251 0.000 0.964 19 D CA 1.042 54.953 54.000 -0.147 0.000 0.877 19 D CB -0.027 40.812 40.800 0.065 0.000 0.924 19 D HN 0.330 nan 8.370 nan 0.000 0.515 20 A N 0.986 123.790 122.820 -0.026 0.000 1.871 20 A HA -0.116 4.204 4.320 0.000 0.000 0.211 20 A C 2.108 179.661 177.584 -0.051 0.000 1.207 20 A CA 0.992 53.021 52.037 -0.013 0.000 0.620 20 A CB -0.628 18.414 19.000 0.069 0.000 0.860 20 A HN 0.183 nan 8.150 nan 0.000 0.450 21 Q N 0.511 120.295 119.800 -0.026 0.000 2.173 21 Q HA -0.329 4.012 4.340 0.000 0.000 0.208 21 Q C 2.103 178.080 176.000 -0.038 0.000 0.989 21 Q CA 2.286 58.078 55.803 -0.019 0.000 0.872 21 Q CB -0.463 28.266 28.738 -0.014 0.000 0.909 21 Q HN 0.651 nan 8.270 nan 0.000 0.420 22 R N -0.051 120.403 120.500 -0.077 0.000 2.127 22 R HA -0.196 4.144 4.340 0.000 0.000 0.228 22 R C 2.502 178.740 176.300 -0.104 0.000 1.125 22 R CA 2.148 58.188 56.100 -0.099 0.000 0.904 22 R CB -0.500 29.707 30.300 -0.156 0.000 0.831 22 R HN 0.330 nan 8.270 nan 0.000 0.431 23 M N 0.592 120.081 119.600 -0.185 0.000 2.217 23 M HA -0.321 4.160 4.480 0.000 0.000 0.245 23 M C 1.149 177.422 176.300 -0.046 0.000 1.101 23 M CA 2.035 57.212 55.300 -0.206 0.000 1.050 23 M CB -0.883 31.579 32.600 -0.230 0.000 1.357 23 M HN 0.475 nan 8.290 nan 0.000 0.394 24 N N -1.663 117.045 118.700 0.014 0.000 2.557 24 N HA 0.136 4.876 4.740 0.000 0.000 0.217 24 N C 1.688 177.241 175.510 0.073 0.000 1.062 24 N CA 0.113 53.230 53.050 0.112 0.000 0.863 24 N CB 0.861 39.390 38.487 0.070 0.000 1.390 24 N HN 0.186 nan 8.380 nan 0.000 0.445 25 I N 2.059 122.646 120.570 0.029 0.000 2.074 25 I HA -0.364 3.806 4.170 0.000 0.000 0.238 25 I C 2.393 178.519 176.117 0.016 0.000 1.037 25 I CA 1.464 62.769 61.300 0.009 0.000 1.301 25 I CB -0.269 37.725 38.000 -0.010 0.000 1.016 25 I HN 0.220 nan 8.210 nan 0.000 0.400 26 L N 0.342 121.572 121.223 0.013 0.000 1.971 26 L HA -0.295 4.046 4.340 0.000 0.000 0.215 26 L C 2.728 179.623 176.870 0.043 0.000 1.072 26 L CA 1.940 56.786 54.840 0.010 0.000 0.758 26 L CB -0.435 41.620 42.059 -0.007 0.000 0.889 26 L HN 0.321 nan 8.230 nan 0.000 0.433 27 A N -0.558 122.326 122.820 0.107 0.000 1.972 27 A HA -0.146 4.174 4.320 0.000 0.000 0.219 27 A C 2.193 179.800 177.584 0.039 0.000 1.169 27 A CA 1.543 53.656 52.037 0.127 0.000 0.635 27 A CB -1.199 18.004 19.000 0.339 0.000 0.810 27 A HN 0.556 nan 8.150 nan 0.000 0.446 28 G N -0.984 107.832 108.800 0.025 0.000 2.559 28 G HA2 -0.089 3.871 3.960 0.000 0.000 0.216 28 G HA3 -0.089 3.871 3.960 0.000 0.000 0.216 28 G C 1.652 176.544 174.900 -0.013 0.000 1.126 28 G CA 0.715 45.813 45.100 -0.003 0.000 0.778 28 G HN 0.589 nan 8.290 nan 0.000 0.543 29 R N -0.177 120.319 120.500 -0.007 0.000 2.043 29 R HA 0.222 4.562 4.340 0.000 0.000 0.221 29 R C 2.375 178.667 176.300 -0.013 0.000 1.196 29 R CA 0.576 56.667 56.100 -0.014 0.000 0.949 29 R CB -0.515 29.775 30.300 -0.016 0.000 0.838 29 R HN 0.262 nan 8.270 nan 0.000 0.446 30 I N 1.899 122.467 120.570 -0.004 0.000 2.345 30 I HA -0.428 3.742 4.170 0.000 0.000 0.228 30 I C 2.340 178.452 176.117 -0.008 0.000 0.960 30 I CA 1.802 63.102 61.300 -0.001 0.000 1.262 30 I CB -0.672 37.335 38.000 0.011 0.000 0.969 30 I HN 0.242 nan 8.210 nan 0.000 0.385 31 I N 0.519 121.083 120.570 -0.009 0.000 2.502 31 I HA -0.279 3.891 4.170 0.000 0.000 0.258 31 I C 2.659 178.762 176.117 -0.022 0.000 1.172 31 I CA 1.528 62.819 61.300 -0.016 0.000 1.430 31 I CB -1.517 36.471 38.000 -0.018 0.000 1.086 31 I HN 0.337 nan 8.210 nan 0.000 0.440 32 A N 1.803 124.608 122.820 -0.026 0.000 1.832 32 A HA -0.156 4.164 4.320 0.000 0.000 0.214 32 A C 2.278 179.846 177.584 -0.028 0.000 1.204 32 A CA 1.301 53.319 52.037 -0.032 0.000 0.606 32 A CB -0.699 18.278 19.000 -0.038 0.000 0.849 32 A HN 0.445 nan 8.150 nan 0.000 0.445 33 E N -0.489 119.697 120.200 -0.023 0.000 2.171 33 E HA -0.160 4.190 4.350 0.000 0.000 0.197 33 E C 1.991 178.580 176.600 -0.019 0.000 0.997 33 E CA 1.480 57.868 56.400 -0.021 0.000 0.810 33 E CB -0.500 29.190 29.700 -0.016 0.000 0.738 33 E HN 0.609 nan 8.360 nan 0.000 0.467 34 T N 1.038 115.582 114.554 -0.017 0.000 2.505 34 T HA -0.205 4.145 4.350 0.000 0.000 0.259 34 T C 1.862 176.552 174.700 -0.017 0.000 1.158 34 T CA 1.904 63.995 62.100 -0.015 0.000 1.190 34 T CB -0.388 68.472 68.868 -0.014 0.000 0.864 34 T HN 0.253 nan 8.240 nan 0.000 0.413 35 V N 3.000 122.902 119.914 -0.021 0.000 3.490 35 V HA 0.219 4.339 4.120 0.000 0.000 0.315 35 V C 1.932 178.011 176.094 -0.026 0.000 1.284 35 V CA 0.369 62.655 62.300 -0.022 0.000 1.233 35 V CB -0.964 30.847 31.823 -0.021 0.000 1.101 35 V HN 0.517 nan 8.190 nan 0.000 0.425 36 R N 0.544 121.029 120.500 -0.026 0.000 2.062 36 R HA -0.017 4.323 4.340 0.000 0.000 0.226 36 R C 2.112 178.394 176.300 -0.029 0.000 1.125 36 R CA 1.550 57.631 56.100 -0.030 0.000 0.966 36 R CB -1.337 28.944 30.300 -0.032 0.000 0.861 36 R HN 0.549 nan 8.270 nan 0.000 0.433 37 S N 0.962 116.647 115.700 -0.024 0.000 2.441 37 S HA -0.178 4.292 4.470 0.000 0.000 0.242 37 S C 1.758 176.344 174.600 -0.023 0.000 1.018 37 S CA 1.781 59.967 58.200 -0.023 0.000 0.988 37 S CB -0.681 62.505 63.200 -0.025 0.000 0.778 37 S HN 0.680 nan 8.310 nan 0.000 0.498 38 T N -0.232 114.308 114.554 -0.023 0.000 3.051 38 T HA 0.303 4.654 4.350 0.000 0.000 0.255 38 T C 0.628 175.315 174.700 -0.022 0.000 1.085 38 T CA -0.394 61.694 62.100 -0.021 0.000 1.109 38 T CB -0.480 68.376 68.868 -0.018 0.000 0.921 38 T HN 0.340 nan 8.240 nan 0.000 0.488 39 L N 2.649 123.857 121.223 -0.026 0.000 2.584 39 L HA 0.421 4.761 4.340 0.000 0.000 0.272 39 L C 0.909 177.761 176.870 -0.031 0.000 1.195 39 L CA 1.138 55.961 54.840 -0.028 0.000 0.920 39 L CB -0.776 41.268 42.059 -0.025 0.000 1.173 39 L HN 0.697 nan 8.230 nan 0.000 0.489 40 G N 4.151 112.934 108.800 -0.028 0.000 2.681 40 G HA2 -0.229 3.732 3.960 0.000 0.000 0.220 40 G HA3 -0.229 3.732 3.960 0.000 0.000 0.220 40 G C -1.736 173.142 174.900 -0.037 0.000 1.353 40 G CA -0.360 44.719 45.100 -0.034 0.000 0.872 40 G HN 0.556 nan 8.290 nan 0.000 0.557 41 P HA -0.114 nan 4.420 nan 0.000 0.218 41 P C 1.615 178.887 177.300 -0.046 0.000 1.152 41 P CA 2.032 65.091 63.100 -0.068 0.000 0.857 41 P CB 0.040 31.638 31.700 -0.171 0.000 0.787 42 K N -1.134 119.235 120.400 -0.052 0.000 2.308 42 K HA 0.203 4.523 4.320 0.000 0.000 0.197 42 K C 1.270 177.855 176.600 -0.026 0.000 1.049 42 K CA 0.225 56.486 56.287 -0.043 0.000 0.991 42 K CB -0.792 31.676 32.500 -0.054 0.000 0.836 42 K HN 0.066 nan 8.250 nan 0.000 0.500 43 G N 1.775 110.561 108.800 -0.024 0.000 2.353 43 G HA2 0.117 4.077 3.960 0.000 0.000 0.239 43 G HA3 0.117 4.077 3.960 0.000 0.000 0.239 43 G C 0.208 175.101 174.900 -0.012 0.000 1.295 43 G CA -0.120 44.969 45.100 -0.019 0.000 0.884 43 G HN -0.066 nan 8.290 nan 0.000 0.537 44 M N 0.884 120.477 119.600 -0.011 0.000 2.513 44 M HA 0.338 4.819 4.480 0.000 0.000 0.250 44 M C 0.065 176.361 176.300 -0.007 0.000 1.145 44 M CA -0.655 54.641 55.300 -0.007 0.000 0.948 44 M CB 0.815 33.411 32.600 -0.006 0.000 1.405 44 M HN 0.371 nan 8.290 nan 0.000 0.546 45 D N 0.634 121.032 120.400 -0.004 0.000 2.433 45 D HA 0.449 5.089 4.640 0.000 0.000 0.255 45 D C -0.604 175.694 176.300 -0.003 0.000 1.226 45 D CA 0.123 54.121 54.000 -0.002 0.000 1.015 45 D CB 0.722 41.523 40.800 0.002 0.000 1.091 45 D HN 0.197 nan 8.370 nan 0.000 0.527 46 K N 0.348 120.746 120.400 -0.002 0.000 2.565 46 K HA 0.319 4.639 4.320 0.000 0.000 0.251 46 K C -1.187 175.414 176.600 0.001 0.000 0.956 46 K CA -0.503 55.783 56.287 -0.002 0.000 0.809 46 K CB 2.213 34.710 32.500 -0.004 0.000 1.267 46 K HN 0.345 nan 8.250 nan 0.000 0.438 47 M N 5.882 125.483 119.600 0.001 0.000 2.065 47 M HA 0.306 4.786 4.480 0.000 0.000 0.308 47 M C -1.370 174.932 176.300 0.003 0.000 0.939 47 M CA -0.615 54.687 55.300 0.003 0.000 0.890 47 M CB 0.314 32.917 32.600 0.004 0.000 1.383 47 M HN 0.527 nan 8.290 nan 0.000 0.381 48 L N 2.979 124.204 121.223 0.003 0.000 2.474 48 L HA 0.597 4.937 4.340 0.000 0.000 0.259 48 L C -0.382 176.490 176.870 0.004 0.000 1.232 48 L CA -0.652 54.190 54.840 0.002 0.000 0.821 48 L CB 0.936 42.996 42.059 0.002 0.000 1.108 48 L HN 0.429 nan 8.230 nan 0.000 0.495 49 V N -0.389 119.527 119.914 0.003 0.000 2.851 49 V HA 0.175 4.295 4.120 0.000 0.000 0.290 49 V C -1.296 174.800 176.094 0.003 0.000 1.330 49 V CA -1.025 61.277 62.300 0.004 0.000 0.944 49 V CB 2.060 33.885 31.823 0.004 0.000 1.090 49 V HN 0.913 nan 8.190 nan 0.000 0.436 50 D N 2.531 122.933 120.400 0.004 0.000 2.506 50 D HA 0.668 5.309 4.640 0.000 0.000 0.254 50 D C 0.564 176.866 176.300 0.004 0.000 1.089 50 D CA 0.388 54.391 54.000 0.003 0.000 1.050 50 D CB 1.127 41.929 40.800 0.003 0.000 1.221 50 D HN 0.773 nan 8.370 nan 0.000 0.589 51 D N -0.739 119.663 120.400 0.004 0.000 4.493 51 D HA -0.305 4.336 4.640 0.000 0.000 0.184 51 D C 1.145 177.447 176.300 0.003 0.000 0.799 51 D CA 1.147 55.149 54.000 0.004 0.000 1.795 51 D CB -1.366 39.437 40.800 0.004 0.000 1.062 51 D HN 0.426 nan 8.370 nan 0.000 0.445 52 L N 1.281 122.506 121.223 0.003 0.000 2.529 52 L HA 0.433 4.773 4.340 0.000 0.000 0.223 52 L C 2.289 179.161 176.870 0.003 0.000 1.113 52 L CA 0.886 55.728 54.840 0.003 0.000 0.861 52 L CB -0.010 42.051 42.059 0.003 0.000 1.012 52 L HN 0.831 nan 8.230 nan 0.000 0.461 53 G N -0.553 108.249 108.800 0.003 0.000 2.194 53 G HA2 -0.263 3.697 3.960 0.000 0.000 0.236 53 G HA3 -0.263 3.697 3.960 0.000 0.000 0.236 53 G C 0.211 175.113 174.900 0.003 0.000 0.987 53 G CA 0.118 45.220 45.100 0.003 0.000 0.635 53 G HN 0.305 nan 8.290 nan 0.000 0.520 54 D N 0.018 120.420 120.400 0.004 0.000 2.300 54 D HA 0.442 5.082 4.640 0.000 0.000 0.235 54 D C 0.959 177.262 176.300 0.005 0.000 1.338 54 D CA 1.384 55.387 54.000 0.004 0.000 0.903 54 D CB 1.007 41.809 40.800 0.004 0.000 1.180 54 D HN 1.168 nan 8.370 nan 0.000 0.485 55 V N -3.046 116.872 119.914 0.006 0.000 3.120 55 V HA 0.759 4.879 4.120 0.000 0.000 0.303 55 V C -1.035 175.064 176.094 0.008 0.000 1.238 55 V CA -0.984 61.320 62.300 0.006 0.000 1.008 55 V CB 2.134 33.960 31.823 0.006 0.000 1.064 55 V HN 0.307 nan 8.190 nan 0.000 0.434 56 V N 1.269 121.189 119.914 0.009 0.000 3.099 56 V HA 0.351 4.471 4.120 0.000 0.000 0.249 56 V C -0.834 175.266 176.094 0.010 0.000 1.451 56 V CA -0.337 61.970 62.300 0.010 0.000 0.923 56 V CB 0.953 32.781 31.823 0.008 0.000 1.099 56 V HN 0.900 nan 8.190 nan 0.000 0.486 57 V N 3.723 123.645 119.914 0.013 0.000 2.540 57 V HA 0.990 5.111 4.120 0.000 0.000 0.302 57 V C 0.002 176.102 176.094 0.009 0.000 1.035 57 V CA 0.032 62.339 62.300 0.012 0.000 0.873 57 V CB 2.268 34.103 31.823 0.019 0.000 0.992 57 V HN 1.138 nan 8.190 nan 0.000 0.428 58 T N 0.097 114.653 114.554 0.003 0.000 3.709 58 T HA 0.229 4.580 4.350 0.000 0.000 0.378 58 T C -0.170 174.525 174.700 -0.008 0.000 1.352 58 T CA -0.624 61.474 62.100 -0.004 0.000 1.144 58 T CB 1.374 70.240 68.868 -0.004 0.000 1.289 58 T HN 0.482 nan 8.240 nan 0.000 0.476 59 N N 1.635 120.328 118.700 -0.012 0.000 2.420 59 N HA 0.049 4.789 4.740 0.000 0.000 0.185 59 N C 0.048 175.549 175.510 -0.016 0.000 1.033 59 N CA 0.449 53.491 53.050 -0.014 0.000 0.879 59 N CB -0.091 38.388 38.487 -0.014 0.000 1.071 59 N HN 0.739 nan 8.380 nan 0.000 0.437 60 D N -0.294 120.095 120.400 -0.018 0.000 2.583 60 D HA 0.041 4.681 4.640 0.000 0.000 0.232 60 D C 1.030 177.321 176.300 -0.016 0.000 1.128 60 D CA 0.585 54.575 54.000 -0.018 0.000 0.859 60 D CB 0.974 41.763 40.800 -0.019 0.000 1.169 60 D HN 0.496 nan 8.370 nan 0.000 0.481 61 G N 2.044 110.834 108.800 -0.017 0.000 2.603 61 G HA2 -0.112 3.848 3.960 0.000 0.000 0.214 61 G HA3 -0.112 3.848 3.960 0.000 0.000 0.214 61 G C 1.500 176.391 174.900 -0.016 0.000 1.140 61 G CA 0.365 45.455 45.100 -0.017 0.000 0.800 61 G HN 0.465 nan 8.290 nan 0.000 0.533 62 V N 0.725 120.630 119.914 -0.016 0.000 2.358 62 V HA -0.125 3.995 4.120 0.000 0.000 0.246 62 V C 2.760 178.846 176.094 -0.012 0.000 1.047 62 V CA 3.027 65.319 62.300 -0.014 0.000 1.035 62 V CB -0.502 31.313 31.823 -0.013 0.000 0.658 62 V HN 0.323 nan 8.190 nan 0.000 0.452 63 T N 0.284 114.832 114.554 -0.011 0.000 2.812 63 T HA -0.019 4.331 4.350 0.000 0.000 0.264 63 T C 1.756 176.451 174.700 -0.008 0.000 1.042 63 T CA 1.591 63.686 62.100 -0.009 0.000 1.140 63 T CB -0.281 68.583 68.868 -0.007 0.000 0.870 63 T HN 0.441 nan 8.240 nan 0.000 0.445 64 I N 0.949 121.514 120.570 -0.009 0.000 2.253 64 I HA -0.325 3.845 4.170 0.000 0.000 0.234 64 I C 1.788 177.900 176.117 -0.010 0.000 0.978 64 I CA 1.838 63.132 61.300 -0.009 0.000 1.271 64 I CB -0.289 37.704 38.000 -0.011 0.000 0.978 64 I HN 0.253 nan 8.210 nan 0.000 0.394 65 L N -0.755 120.461 121.223 -0.012 0.000 2.558 65 L HA 0.060 4.401 4.340 0.000 0.000 0.225 65 L C 2.232 179.095 176.870 -0.012 0.000 1.128 65 L CA 0.285 55.117 54.840 -0.013 0.000 0.868 65 L CB -0.574 41.475 42.059 -0.017 0.000 1.006 65 L HN 0.103 nan 8.230 nan 0.000 0.454 66 R N 0.755 121.248 120.500 -0.011 0.000 2.171 66 R HA -0.213 4.127 4.340 0.000 0.000 0.226 66 R C 2.226 178.522 176.300 -0.006 0.000 1.113 66 R CA 2.026 58.121 56.100 -0.009 0.000 0.887 66 R CB -0.031 30.264 30.300 -0.007 0.000 0.830 66 R HN 0.207 nan 8.270 nan 0.000 0.432 67 E N 0.627 120.824 120.200 -0.004 0.000 2.001 67 E HA -0.156 4.194 4.350 0.000 0.000 0.195 67 E C 0.761 177.360 176.600 -0.002 0.000 1.002 67 E CA 0.622 57.020 56.400 -0.002 0.000 0.819 67 E CB -0.480 29.219 29.700 -0.001 0.000 0.769 67 E HN 0.242 nan 8.360 nan 0.000 0.454 68 M N 1.760 121.359 119.600 -0.002 0.000 2.493 68 M HA -0.168 4.312 4.480 0.000 0.000 0.517 68 M C 0.074 176.373 176.300 -0.002 0.000 1.511 68 M CA 0.444 55.743 55.300 -0.002 0.000 0.905 68 M CB -0.534 32.064 32.600 -0.003 0.000 1.906 68 M HN -0.157 nan 8.290 nan 0.000 0.522 69 S N 3.925 119.626 115.700 0.001 0.000 3.442 69 S HA 0.066 4.536 4.470 0.000 0.000 0.237 69 S C 0.267 174.870 174.600 0.004 0.000 0.992 69 S CA -0.249 57.952 58.200 0.002 0.000 1.381 69 S CB -0.614 62.589 63.200 0.005 0.000 1.566 69 S HN 0.610 nan 8.310 nan 0.000 0.559 70 V N 4.859 124.773 119.914 0.000 0.000 2.678 70 V HA -0.082 4.039 4.120 0.000 0.000 0.304 70 V C 1.109 177.207 176.094 0.008 0.000 1.086 70 V CA 1.455 63.754 62.300 -0.002 0.000 1.246 70 V CB 0.183 31.994 31.823 -0.019 0.000 0.861 70 V HN 0.940 nan 8.190 nan 0.000 0.491 71 E N 4.741 124.958 120.200 0.028 0.000 2.057 71 E HA 0.036 4.386 4.350 0.000 0.000 0.191 71 E C 0.912 177.564 176.600 0.086 0.000 0.959 71 E CA 0.529 56.962 56.400 0.055 0.000 0.828 71 E CB -0.217 29.528 29.700 0.074 0.000 0.800 71 E HN 0.984 nan 8.360 nan 0.000 0.460 72 H N 1.782 120.861 119.070 0.015 0.000 2.629 72 H HA 0.160 4.717 4.556 0.001 0.000 0.357 72 H C -1.759 173.580 175.328 0.018 0.000 1.121 72 H CA -1.610 54.450 56.048 0.021 0.000 1.406 72 H CB 1.148 30.930 29.762 0.034 0.000 1.456 72 H HN -0.150 nan 8.280 nan 0.000 0.579 73 P HA -0.169 nan 4.420 nan 0.000 0.218 73 P C 1.084 178.248 177.300 -0.227 0.000 1.149 73 P CA 1.841 64.863 63.100 -0.129 0.000 0.817 73 P CB -0.083 31.623 31.700 0.009 0.000 0.785 74 A N 0.880 123.461 122.820 -0.398 0.000 1.933 74 A HA -0.029 4.292 4.320 0.000 0.000 0.218 74 A C 2.473 179.898 177.584 -0.265 0.000 1.175 74 A CA 1.904 53.790 52.037 -0.251 0.000 0.628 74 A CB -1.523 17.387 19.000 -0.149 0.000 0.814 74 A HN 0.212 nan 8.150 nan 0.000 0.444 75 A N -0.275 122.277 122.820 -0.447 0.000 2.076 75 A HA -0.163 4.157 4.320 0.000 0.000 0.220 75 A C 2.018 179.512 177.584 -0.150 0.000 1.160 75 A CA 1.909 53.795 52.037 -0.252 0.000 0.653 75 A CB -0.340 18.509 19.000 -0.250 0.000 0.801 75 A HN 0.590 nan 8.150 nan 0.000 0.455 76 K N -0.674 119.635 120.400 -0.151 0.000 2.211 76 K HA 0.062 4.382 4.320 0.000 0.000 0.201 76 K C 1.788 178.352 176.600 -0.060 0.000 1.052 76 K CA 1.228 57.464 56.287 -0.084 0.000 0.973 76 K CB -0.223 32.238 32.500 -0.065 0.000 0.766 76 K HN 0.645 nan 8.250 nan 0.000 0.466 77 M N 0.108 119.670 119.600 -0.064 0.000 2.446 77 M HA -0.062 4.418 4.480 0.000 0.000 0.263 77 M C 1.808 178.084 176.300 -0.039 0.000 1.066 77 M CA 1.489 56.763 55.300 -0.045 0.000 1.087 77 M CB -0.200 32.381 32.600 -0.031 0.000 1.406 77 M HN 0.033 nan 8.290 nan 0.000 0.459 78 L N -0.576 120.619 121.223 -0.047 0.000 2.575 78 L HA 0.191 4.531 4.340 0.000 0.000 0.228 78 L C 2.073 178.924 176.870 -0.032 0.000 1.075 78 L CA 0.026 54.843 54.840 -0.039 0.000 0.867 78 L CB 0.106 42.138 42.059 -0.045 0.000 1.097 78 L HN 0.212 nan 8.230 nan 0.000 0.485 79 I N 0.468 121.018 120.570 -0.033 0.000 2.394 79 I HA -0.235 3.936 4.170 0.000 0.000 0.251 79 I C 1.918 178.023 176.117 -0.020 0.000 1.136 79 I CA 1.669 62.954 61.300 -0.025 0.000 1.425 79 I CB -0.170 37.815 38.000 -0.024 0.000 1.079 79 I HN 0.288 nan 8.210 nan 0.000 0.425 80 E N -0.404 119.784 120.200 -0.021 0.000 2.409 80 E HA -0.115 4.235 4.350 0.000 0.000 0.198 80 E C 1.887 178.479 176.600 -0.013 0.000 1.024 80 E CA 1.086 57.477 56.400 -0.015 0.000 0.861 80 E CB -0.142 29.549 29.700 -0.014 0.000 0.788 80 E HN 0.467 nan 8.360 nan 0.000 0.521 81 V N -0.079 119.826 119.914 -0.016 0.000 3.263 81 V HA 0.141 4.262 4.120 0.000 0.000 0.248 81 V C 1.964 178.049 176.094 -0.015 0.000 1.145 81 V CA 1.056 63.348 62.300 -0.014 0.000 1.107 81 V CB 0.253 32.067 31.823 -0.014 0.000 0.797 81 V HN 0.294 nan 8.190 nan 0.000 0.467 82 A N -0.101 122.708 122.820 -0.017 0.000 2.132 82 A HA 0.048 4.368 4.320 0.000 0.000 0.213 82 A C 2.219 179.795 177.584 -0.014 0.000 1.154 82 A CA 0.942 52.969 52.037 -0.017 0.000 0.753 82 A CB -0.149 18.839 19.000 -0.019 0.000 0.826 82 A HN 0.363 nan 8.150 nan 0.000 0.469 83 K N 0.076 120.468 120.400 -0.013 0.000 2.044 83 K HA -0.100 4.220 4.320 0.000 0.000 0.204 83 K C 1.836 178.431 176.600 -0.009 0.000 1.049 83 K CA 1.817 58.097 56.287 -0.011 0.000 0.945 83 K CB -0.394 32.099 32.500 -0.011 0.000 0.724 83 K HN 0.409 nan 8.250 nan 0.000 0.440 84 T N 1.500 116.049 114.554 -0.008 0.000 2.665 84 T HA -0.244 4.106 4.350 0.000 0.000 0.268 84 T C 1.890 176.586 174.700 -0.006 0.000 1.035 84 T CA 1.854 63.951 62.100 -0.006 0.000 1.151 84 T CB -0.381 68.484 68.868 -0.004 0.000 0.862 84 T HN 0.344 nan 8.240 nan 0.000 0.438 85 Q N 0.956 120.751 119.800 -0.008 0.000 2.029 85 Q HA -0.218 4.122 4.340 0.000 0.000 0.209 85 Q C 2.425 178.420 176.000 -0.008 0.000 0.999 85 Q CA 1.981 57.779 55.803 -0.008 0.000 0.857 85 Q CB -0.262 28.471 28.738 -0.009 0.000 0.926 85 Q HN 0.483 nan 8.270 nan 0.000 0.415 86 E N 0.269 120.463 120.200 -0.010 0.000 2.118 86 E HA -0.244 4.107 4.350 0.000 0.000 0.195 86 E C 1.655 178.250 176.600 -0.008 0.000 0.992 86 E CA 1.624 58.018 56.400 -0.009 0.000 0.804 86 E CB 0.029 29.723 29.700 -0.011 0.000 0.741 86 E HN 0.375 nan 8.360 nan 0.000 0.458 87 K N 0.698 121.093 120.400 -0.007 0.000 2.155 87 K HA -0.107 4.214 4.320 0.000 0.000 0.203 87 K C 1.981 178.578 176.600 -0.006 0.000 1.052 87 K CA 1.129 57.412 56.287 -0.006 0.000 0.948 87 K CB -0.104 32.393 32.500 -0.006 0.000 0.728 87 K HN 0.267 nan 8.250 nan 0.000 0.448 88 E N 0.835 121.032 120.200 -0.005 0.000 1.954 88 E HA -0.248 4.103 4.350 0.000 0.000 0.240 88 E C 1.838 178.435 176.600 -0.005 0.000 0.886 88 E CA 1.511 57.908 56.400 -0.005 0.000 1.118 88 E CB -0.754 28.944 29.700 -0.003 0.000 0.804 88 E HN 0.065 nan 8.360 nan 0.000 0.604 89 V N -0.048 119.863 119.914 -0.005 0.000 3.354 89 V HA 0.154 4.275 4.120 0.000 0.000 0.258 89 V C 1.221 177.310 176.094 -0.007 0.000 1.159 89 V CA 1.758 64.055 62.300 -0.006 0.000 1.125 89 V CB -0.206 31.614 31.823 -0.005 0.000 0.774 89 V HN 0.797 nan 8.190 nan 0.000 0.464 90 G N 0.107 108.902 108.800 -0.008 0.000 4.244 90 G HA2 -0.216 3.744 3.960 0.000 0.000 0.222 90 G HA3 -0.216 3.744 3.960 0.000 0.000 0.222 90 G C -0.089 174.805 174.900 -0.010 0.000 1.665 90 G CA 0.033 45.127 45.100 -0.009 0.000 1.315 90 G HN 0.473 nan 8.290 nan 0.000 0.637 91 D N 2.737 123.132 120.400 -0.009 0.000 2.487 91 D HA 0.415 5.055 4.640 0.000 0.000 0.243 91 D C 1.305 177.599 176.300 -0.010 0.000 1.154 91 D CA 2.255 56.249 54.000 -0.009 0.000 0.876 91 D CB 0.490 41.285 40.800 -0.007 0.000 1.161 91 D HN 1.800 nan 8.370 nan 0.000 0.478 92 G N 2.015 110.808 108.800 -0.012 0.000 2.168 92 G HA2 -0.302 3.658 3.960 0.000 0.000 0.197 92 G HA3 -0.302 3.658 3.960 0.000 0.000 0.197 92 G C 1.186 176.075 174.900 -0.017 0.000 0.997 92 G CA 0.442 45.534 45.100 -0.014 0.000 0.658 92 G HN 0.508 nan 8.290 nan 0.000 0.513 93 T N 0.547 115.091 114.554 -0.017 0.000 2.555 93 T HA -0.166 4.184 4.350 0.000 0.000 0.264 93 T C 2.831 177.518 174.700 -0.022 0.000 1.083 93 T CA 3.439 65.529 62.100 -0.018 0.000 1.179 93 T CB -1.545 67.312 68.868 -0.018 0.000 0.863 93 T HN 1.702 nan 8.240 nan 0.000 0.412 94 T N 1.711 116.251 114.554 -0.024 0.000 2.759 94 T HA -0.375 3.975 4.350 0.000 0.000 0.247 94 T C 1.783 176.463 174.700 -0.033 0.000 1.131 94 T CA 3.041 65.124 62.100 -0.027 0.000 1.135 94 T CB -2.040 66.812 68.868 -0.026 0.000 0.825 94 T HN 0.571 nan 8.240 nan 0.000 0.483 95 T N 0.709 115.244 114.554 -0.031 0.000 3.067 95 T HA 0.614 4.964 4.350 0.000 0.000 0.257 95 T C 2.333 177.008 174.700 -0.041 0.000 1.105 95 T CA 0.663 62.741 62.100 -0.036 0.000 1.104 95 T CB -0.283 68.567 68.868 -0.030 0.000 0.925 95 T HN 0.736 nan 8.240 nan 0.000 0.498 96 A N 1.472 124.272 122.820 -0.034 0.000 1.859 96 A HA 0.205 4.525 4.320 0.000 0.000 0.212 96 A C 2.426 179.984 177.584 -0.043 0.000 1.238 96 A CA 0.588 52.606 52.037 -0.031 0.000 0.613 96 A CB -1.008 17.980 19.000 -0.020 0.000 0.904 96 A HN 0.220 nan 8.150 nan 0.000 0.457 97 V N 0.012 119.903 119.914 -0.039 0.000 2.222 97 V HA -0.324 3.796 4.120 0.000 0.000 0.252 97 V C 2.539 178.599 176.094 -0.056 0.000 1.060 97 V CA 2.495 64.769 62.300 -0.043 0.000 1.027 97 V CB -1.169 30.634 31.823 -0.035 0.000 0.644 97 V HN 0.341 nan 8.190 nan 0.000 0.448 98 V N 0.383 120.263 119.914 -0.058 0.000 2.229 98 V HA -0.180 3.941 4.120 0.000 0.000 0.243 98 V C 2.354 178.396 176.094 -0.087 0.000 1.042 98 V CA 2.089 64.351 62.300 -0.064 0.000 1.000 98 V CB -0.504 31.284 31.823 -0.058 0.000 0.637 98 V HN 0.589 nan 8.190 nan 0.000 0.446 99 V N -1.016 118.836 119.914 -0.103 0.000 3.330 99 V HA 0.014 4.134 4.120 0.000 0.000 0.273 99 V C 1.951 177.928 176.094 -0.195 0.000 1.179 99 V CA 1.587 63.794 62.300 -0.155 0.000 1.174 99 V CB -1.370 30.362 31.823 -0.151 0.000 0.794 99 V HN 0.381 nan 8.190 nan 0.000 0.527 100 A N 0.742 123.475 122.820 -0.145 0.000 1.997 100 A HA 0.433 4.754 4.320 0.000 0.000 0.212 100 A C 2.216 179.741 177.584 -0.099 0.000 1.178 100 A CA 1.033 52.998 52.037 -0.120 0.000 0.698 100 A CB -0.635 18.319 19.000 -0.077 0.000 0.842 100 A HN 0.627 nan 8.150 nan 0.000 0.458 101 G N -0.642 108.106 108.800 -0.086 0.000 2.510 101 G HA2 0.029 3.989 3.960 0.000 0.000 0.212 101 G HA3 0.029 3.989 3.960 0.000 0.000 0.212 101 G C 1.307 176.158 174.900 -0.082 0.000 1.151 101 G CA 0.949 46.008 45.100 -0.068 0.000 0.817 101 G HN 0.462 nan 8.290 nan 0.000 0.534 102 E N 0.435 120.574 120.200 -0.100 0.000 2.048 102 E HA -0.184 4.166 4.350 0.000 0.000 0.202 102 E C 2.127 178.638 176.600 -0.147 0.000 1.021 102 E CA 1.001 57.332 56.400 -0.115 0.000 0.825 102 E CB -0.470 29.151 29.700 -0.131 0.000 0.756 102 E HN 0.282 nan 8.360 nan 0.000 0.454 103 L N -0.068 121.029 121.223 -0.211 0.000 2.633 103 L HA 0.044 4.385 4.340 0.000 0.000 0.235 103 L C 1.211 177.964 176.870 -0.196 0.000 1.163 103 L CA 0.788 55.448 54.840 -0.299 0.000 0.859 103 L CB 0.111 41.878 42.059 -0.487 0.000 0.973 103 L HN 0.222 nan 8.230 nan 0.000 0.451 104 L N -1.660 119.494 121.223 -0.116 0.000 2.642 104 L HA 0.147 4.488 4.340 0.000 0.000 0.233 104 L C 2.446 179.294 176.870 -0.037 0.000 1.077 104 L CA 0.019 54.828 54.840 -0.053 0.000 0.879 104 L CB -0.336 41.699 42.059 -0.039 0.000 1.151 104 L HN 0.218 nan 8.230 nan 0.000 0.495 105 R N 0.920 121.389 120.500 -0.053 0.000 2.075 105 R HA -0.123 4.218 4.340 0.000 0.000 0.232 105 R C 1.689 177.972 176.300 -0.028 0.000 1.126 105 R CA 1.298 57.376 56.100 -0.038 0.000 0.963 105 R CB -0.003 30.270 30.300 -0.045 0.000 0.858 105 R HN 0.125 nan 8.270 nan 0.000 0.435 106 K N 0.324 120.697 120.400 -0.045 0.000 2.366 106 K HA 0.059 4.380 4.320 0.000 0.000 0.198 106 K C 1.811 178.422 176.600 0.019 0.000 1.044 106 K CA 0.828 57.099 56.287 -0.027 0.000 0.973 106 K CB 0.192 32.646 32.500 -0.077 0.000 0.767 106 K HN 0.301 nan 8.250 nan 0.000 0.475 107 A N 1.211 124.048 122.820 0.028 0.000 1.929 107 A HA -0.139 4.181 4.320 0.000 0.000 0.216 107 A C 2.055 179.678 177.584 0.064 0.000 1.176 107 A CA 1.034 53.132 52.037 0.102 0.000 0.628 107 A CB -0.265 18.813 19.000 0.130 0.000 0.816 107 A HN 0.309 nan 8.150 nan 0.000 0.444 108 E N 0.179 120.395 120.200 0.027 0.000 2.068 108 E HA -0.291 4.059 4.350 0.000 0.000 0.207 108 E C 1.875 178.485 176.600 0.018 0.000 1.032 108 E CA 1.971 58.380 56.400 0.015 0.000 0.839 108 E CB -0.211 29.489 29.700 0.000 0.000 0.758 108 E HN 0.759 nan 8.360 nan 0.000 0.457 109 E N -0.168 120.044 120.200 0.020 0.000 2.130 109 E HA -0.229 4.122 4.350 0.000 0.000 0.196 109 E C 2.105 178.722 176.600 0.028 0.000 0.998 109 E CA 0.866 57.278 56.400 0.020 0.000 0.806 109 E CB -0.032 29.681 29.700 0.021 0.000 0.738 109 E HN 0.174 nan 8.360 nan 0.000 0.459 110 L N 0.535 121.784 121.223 0.042 0.000 1.948 110 L HA -0.178 4.163 4.340 0.000 0.000 0.212 110 L C 2.356 179.241 176.870 0.026 0.000 1.074 110 L CA 1.515 56.380 54.840 0.042 0.000 0.753 110 L CB -1.425 40.671 42.059 0.061 0.000 0.888 110 L HN 0.194 nan 8.230 nan 0.000 0.432 111 L N -0.136 121.099 121.223 0.020 0.000 2.483 111 L HA -0.268 4.072 4.340 0.000 0.000 0.224 111 L C 0.680 177.556 176.870 0.011 0.000 1.135 111 L CA 1.115 55.959 54.840 0.007 0.000 0.790 111 L CB -0.538 41.520 42.059 -0.001 0.000 0.911 111 L HN 0.442 nan 8.230 nan 0.000 0.445 112 D N -1.584 118.824 120.400 0.014 0.000 2.582 112 D HA 0.010 4.651 4.640 0.000 0.000 0.246 112 D C 1.244 177.553 176.300 0.014 0.000 1.334 112 D CA 0.096 54.103 54.000 0.012 0.000 0.805 112 D CB 0.487 41.292 40.800 0.007 0.000 1.087 112 D HN 0.269 nan 8.370 nan 0.000 0.499 113 Q N 0.984 120.795 119.800 0.018 0.000 2.246 113 Q HA 0.074 4.414 4.340 0.000 0.000 0.202 113 Q C 0.406 176.420 176.000 0.023 0.000 0.883 113 Q CA 0.316 56.131 55.803 0.019 0.000 0.952 113 Q CB -0.658 28.089 28.738 0.016 0.000 1.078 113 Q HN 0.319 nan 8.270 nan 0.000 0.493 114 N N -1.455 117.262 118.700 0.028 0.000 2.972 114 N HA -0.224 4.516 4.740 0.000 0.000 0.225 114 N C -0.222 175.323 175.510 0.059 0.000 0.883 114 N CA 0.514 53.589 53.050 0.042 0.000 1.010 114 N CB -1.277 37.237 38.487 0.045 0.000 1.052 114 N HN 0.310 nan 8.380 nan 0.000 0.598 115 V N 2.515 122.452 119.914 0.038 0.000 3.711 115 V HA -0.263 3.858 4.120 0.000 0.000 0.257 115 V C 0.494 176.611 176.094 0.038 0.000 1.012 115 V CA 1.394 63.711 62.300 0.028 0.000 1.083 115 V CB -1.055 30.779 31.823 0.019 0.000 0.662 115 V HN 0.388 nan 8.190 nan 0.000 0.393 116 H N 9.778 128.843 119.070 -0.008 0.000 3.254 116 H HA 0.050 4.606 4.556 0.000 0.000 0.253 116 H C -0.708 174.611 175.328 -0.015 0.000 0.853 116 H CA 0.103 56.146 56.048 -0.009 0.000 1.404 116 H CB 0.862 30.622 29.762 -0.004 0.000 1.483 116 H HN 0.642 nan 8.280 nan 0.000 0.522 117 P HA -0.295 nan 4.420 nan 0.000 0.219 117 P C 1.305 178.476 177.300 -0.215 0.000 1.145 117 P CA 1.940 64.819 63.100 -0.368 0.000 0.813 117 P CB 0.014 31.424 31.700 -0.484 0.000 0.771 118 T N -1.200 113.278 114.554 -0.127 0.000 2.680 118 T HA -0.215 4.136 4.350 0.000 0.000 0.268 118 T C 1.916 176.598 174.700 -0.030 0.000 1.033 118 T CA 1.282 63.400 62.100 0.029 0.000 1.152 118 T CB -0.973 67.999 68.868 0.173 0.000 0.859 118 T HN 0.045 nan 8.240 nan 0.000 0.452 119 I N 1.355 121.897 120.570 -0.047 0.000 2.130 119 I HA -0.086 4.084 4.170 0.000 0.000 0.234 119 I C 2.896 178.902 176.117 -0.185 0.000 1.067 119 I CA 1.335 62.587 61.300 -0.079 0.000 1.339 119 I CB -1.336 36.631 38.000 -0.054 0.000 1.073 119 I HN 0.266 nan 8.210 nan 0.000 0.405 120 V N 2.312 122.094 119.914 -0.219 0.000 2.252 120 V HA -0.305 3.816 4.120 0.000 0.000 0.255 120 V C 2.641 178.321 176.094 -0.689 0.000 1.071 120 V CA 3.170 65.210 62.300 -0.434 0.000 1.050 120 V CB -0.960 30.754 31.823 -0.181 0.000 0.654 120 V HN 0.341 nan 8.190 nan 0.000 0.448 121 V N -0.941 118.807 119.914 -0.277 0.000 2.220 121 V HA -0.387 3.733 4.120 0.000 0.000 0.250 121 V C 2.585 178.569 176.094 -0.184 0.000 1.056 121 V CA 3.022 65.231 62.300 -0.151 0.000 1.016 121 V CB -1.726 30.070 31.823 -0.045 0.000 0.639 121 V HN 0.616 nan 8.190 nan 0.000 0.446 122 K N 1.233 121.540 120.400 -0.155 0.000 2.218 122 K HA -0.096 4.224 4.320 0.000 0.000 0.205 122 K C 2.134 178.658 176.600 -0.126 0.000 1.046 122 K CA 1.597 57.823 56.287 -0.101 0.000 0.933 122 K CB -0.941 31.517 32.500 -0.071 0.000 0.728 122 K HN 0.705 nan 8.250 nan 0.000 0.454 123 G N 0.133 108.785 108.800 -0.247 0.000 2.604 123 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 123 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 123 G C 1.006 175.887 174.900 -0.032 0.000 1.265 123 G CA 1.015 45.973 45.100 -0.238 0.000 0.804 123 G HN 0.239 nan 8.290 nan 0.000 0.579 124 Y N 2.192 122.499 120.300 0.011 0.000 2.293 124 Y HA -0.105 4.446 4.550 0.000 0.000 0.291 124 Y C 3.136 178.943 175.900 -0.156 0.000 1.137 124 Y CA 0.882 58.972 58.100 -0.017 0.000 1.202 124 Y CB -0.966 37.635 38.460 0.235 0.000 0.990 124 Y HN 0.533 nan 8.280 nan 0.000 0.537 125 Q N 0.140 119.975 119.800 0.057 0.000 2.061 125 Q HA -0.178 4.163 4.340 0.000 0.000 0.204 125 Q C 2.232 178.200 176.000 -0.054 0.000 0.984 125 Q CA 1.912 57.713 55.803 -0.003 0.000 0.846 125 Q CB -0.751 27.990 28.738 0.005 0.000 0.902 125 Q HN 0.345 nan 8.270 nan 0.000 0.421 126 A N 1.124 123.916 122.820 -0.046 0.000 2.016 126 A HA 0.281 4.602 4.320 0.000 0.000 0.217 126 A C 2.280 179.791 177.584 -0.121 0.000 1.162 126 A CA 0.977 52.992 52.037 -0.036 0.000 0.662 126 A CB -0.470 18.555 19.000 0.043 0.000 0.812 126 A HN 0.539 nan 8.150 nan 0.000 0.450 127 A N -0.737 121.973 122.820 -0.183 0.000 2.209 127 A HA 0.394 4.715 4.320 0.000 0.000 0.212 127 A C 1.926 179.162 177.584 -0.581 0.000 1.158 127 A CA 1.370 53.163 52.037 -0.406 0.000 0.742 127 A CB -0.402 18.346 19.000 -0.419 0.000 0.790 127 A HN 0.937 nan 8.150 nan 0.000 0.472 128 A N -1.477 121.086 122.820 -0.429 0.000 2.343 128 A HA 0.284 4.604 4.320 0.000 0.000 0.223 128 A C 1.732 179.230 177.584 -0.143 0.000 1.214 128 A CA 0.547 52.416 52.037 -0.280 0.000 0.900 128 A CB 0.093 19.013 19.000 -0.133 0.000 0.942 128 A HN 0.515 nan 8.150 nan 0.000 0.507 129 Q N -0.696 119.012 119.800 -0.153 0.000 2.304 129 Q HA 0.115 4.455 4.340 0.000 0.000 0.204 129 Q C 1.857 177.772 176.000 -0.142 0.000 0.936 129 Q CA 0.553 56.291 55.803 -0.109 0.000 0.878 129 Q CB 0.015 28.711 28.738 -0.070 0.000 0.983 129 Q HN 0.250 nan 8.270 nan 0.000 0.516 130 K N 1.312 121.580 120.400 -0.220 0.000 2.211 130 K HA -0.015 4.305 4.320 0.000 0.000 0.203 130 K C 1.853 178.301 176.600 -0.253 0.000 1.050 130 K CA 0.988 57.099 56.287 -0.292 0.000 0.945 130 K CB -0.157 31.971 32.500 -0.620 0.000 0.732 130 K HN 0.202 nan 8.250 nan 0.000 0.451 131 A N 1.507 124.185 122.820 -0.237 0.000 1.903 131 A HA -0.260 4.060 4.320 0.000 0.000 0.219 131 A C 2.061 179.587 177.584 -0.096 0.000 1.191 131 A CA 1.730 53.672 52.037 -0.159 0.000 0.638 131 A CB -0.528 18.395 19.000 -0.129 0.000 0.823 131 A HN 0.341 nan 8.150 nan 0.000 0.451 132 Q N -0.056 119.691 119.800 -0.087 0.000 2.062 132 Q HA -0.234 4.107 4.340 0.000 0.000 0.209 132 Q C 2.038 178.004 176.000 -0.057 0.000 0.996 132 Q CA 2.109 57.877 55.803 -0.058 0.000 0.859 132 Q CB -0.599 28.108 28.738 -0.051 0.000 0.920 132 Q HN 0.882 nan 8.270 nan 0.000 0.415 133 E N 0.100 120.256 120.200 -0.074 0.000 2.107 133 E HA -0.086 4.264 4.350 0.000 0.000 0.191 133 E C 2.279 178.848 176.600 -0.051 0.000 0.982 133 E CA 0.653 57.020 56.400 -0.055 0.000 0.809 133 E CB -0.282 29.386 29.700 -0.053 0.000 0.756 133 E HN 0.358 nan 8.360 nan 0.000 0.459 134 L N 0.370 121.550 121.223 -0.071 0.000 2.217 134 L HA -0.036 4.305 4.340 0.000 0.000 0.211 134 L C 2.460 179.308 176.870 -0.037 0.000 1.107 134 L CA 0.452 55.260 54.840 -0.054 0.000 0.783 134 L CB -0.279 41.735 42.059 -0.076 0.000 0.919 134 L HN 0.039 nan 8.230 nan 0.000 0.442 135 L N -0.393 120.810 121.223 -0.034 0.000 2.554 135 L HA -0.060 4.280 4.340 0.000 0.000 0.226 135 L C 2.179 179.044 176.870 -0.009 0.000 1.137 135 L CA 0.648 55.478 54.840 -0.017 0.000 0.863 135 L CB -0.079 41.971 42.059 -0.016 0.000 0.985 135 L HN 0.140 nan 8.230 nan 0.000 0.451 136 K N -1.111 119.281 120.400 -0.013 0.000 2.167 136 K HA -0.078 4.242 4.320 0.000 0.000 0.203 136 K C 1.970 178.571 176.600 0.001 0.000 1.052 136 K CA 1.612 57.895 56.287 -0.006 0.000 0.956 136 K CB -0.118 32.376 32.500 -0.009 0.000 0.735 136 K HN 0.306 nan 8.250 nan 0.000 0.451 137 T N -0.675 113.879 114.554 0.000 0.000 3.081 137 T HA 0.008 4.358 4.350 0.000 0.000 0.255 137 T C 1.670 176.383 174.700 0.023 0.000 1.113 137 T CA 0.332 62.436 62.100 0.008 0.000 1.082 137 T CB -0.098 68.773 68.868 0.005 0.000 0.939 137 T HN 0.147 nan 8.240 nan 0.000 0.506 138 I N 0.431 121.016 120.570 0.025 0.000 3.339 138 I HA 0.571 4.741 4.170 0.000 0.000 0.285 138 I C 1.196 177.343 176.117 0.050 0.000 1.201 138 I CA -0.854 60.475 61.300 0.049 0.000 1.434 138 I CB -1.381 36.652 38.000 0.055 0.000 1.152 138 I HN 0.208 nan 8.210 nan 0.000 0.443 139 A N 2.104 124.941 122.820 0.029 0.000 1.728 139 A HA -0.174 4.147 4.320 0.000 0.000 0.342 139 A C 0.811 178.409 177.584 0.023 0.000 0.812 139 A CA 0.913 52.962 52.037 0.020 0.000 1.551 139 A CB -2.065 16.942 19.000 0.013 0.000 0.630 139 A HN 1.042 nan 8.150 nan 0.000 0.192 140 C N 3.472 122.784 119.300 0.021 0.000 2.192 140 C HA 0.588 5.048 4.460 0.000 0.000 0.337 140 C C 0.255 175.250 174.990 0.008 0.000 1.103 140 C CA -1.109 57.917 59.018 0.013 0.000 1.581 140 C CB -0.776 26.969 27.740 0.009 0.000 2.070 140 C HN 0.726 nan 8.230 nan 0.000 0.485 141 E N 2.496 122.701 120.200 0.007 0.000 2.338 141 E HA 0.548 4.899 4.350 0.000 0.000 0.272 141 E C -0.344 176.259 176.600 0.004 0.000 1.029 141 E CA -0.120 56.283 56.400 0.006 0.000 0.872 141 E CB 1.653 31.356 29.700 0.006 0.000 1.015 141 E HN 0.763 nan 8.360 nan 0.000 0.417 142 V N -0.866 119.051 119.914 0.004 0.000 2.950 142 V HA 0.355 4.475 4.120 0.000 0.000 0.295 142 V C 0.349 176.444 176.094 0.003 0.000 1.297 142 V CA -1.348 60.954 62.300 0.003 0.000 0.962 142 V CB 1.379 33.203 31.823 0.003 0.000 1.081 142 V HN 0.826 nan 8.190 nan 0.000 0.432 143 G N 1.675 110.476 108.800 0.002 0.000 2.238 143 G HA2 0.322 4.283 3.960 0.000 0.000 0.234 143 G HA3 0.322 4.283 3.960 0.000 0.000 0.234 143 G C 1.119 176.020 174.900 0.002 0.000 1.181 143 G CA 0.471 45.572 45.100 0.002 0.000 0.871 143 G HN 1.690 nan 8.290 nan 0.000 0.490 144 A N 2.157 124.978 122.820 0.002 0.000 1.858 144 A HA -0.138 4.182 4.320 0.000 0.000 0.216 144 A C 2.279 179.864 177.584 0.002 0.000 1.190 144 A CA 2.072 54.110 52.037 0.002 0.000 0.617 144 A CB -0.430 18.571 19.000 0.002 0.000 0.827 144 A HN 0.905 nan 8.150 nan 0.000 0.443 145 Q N 0.086 119.888 119.800 0.002 0.000 2.444 145 Q HA 0.051 4.391 4.340 0.000 0.000 0.206 145 Q C -0.412 175.589 176.000 0.002 0.000 0.948 145 Q CA 0.342 56.146 55.803 0.002 0.000 0.946 145 Q CB -0.378 28.362 28.738 0.002 0.000 1.027 145 Q HN 0.399 nan 8.270 nan 0.000 0.513 146 D N 1.648 122.049 120.400 0.002 0.000 2.581 146 D HA -0.091 4.550 4.640 0.000 0.000 0.238 146 D C 0.651 176.952 176.300 0.002 0.000 1.145 146 D CA 0.350 54.351 54.000 0.002 0.000 0.866 146 D CB 0.842 41.643 40.800 0.002 0.000 1.151 146 D HN 0.260 nan 8.370 nan 0.000 0.500 147 K N 3.611 124.012 120.400 0.002 0.000 2.057 147 K HA -0.207 4.113 4.320 0.000 0.000 0.207 147 K C 1.589 178.190 176.600 0.002 0.000 1.049 147 K CA 1.169 57.457 56.287 0.002 0.000 0.931 147 K CB 0.081 32.582 32.500 0.002 0.000 0.714 147 K HN 0.622 nan 8.250 nan 0.000 0.440 148 E N 0.845 121.046 120.200 0.002 0.000 2.077 148 E HA -0.190 4.161 4.350 0.000 0.000 0.193 148 E C 1.955 178.557 176.600 0.002 0.000 0.989 148 E CA 1.689 58.090 56.400 0.002 0.000 0.800 148 E CB -0.164 29.537 29.700 0.001 0.000 0.746 148 E HN 0.553 nan 8.360 nan 0.000 0.452 149 I N -1.959 118.612 120.570 0.002 0.000 3.603 149 I HA 0.026 4.196 4.170 0.000 0.000 0.297 149 I C 1.646 177.765 176.117 0.003 0.000 1.269 149 I CA -0.054 61.247 61.300 0.003 0.000 1.361 149 I CB 0.135 38.137 38.000 0.003 0.000 1.063 149 I HN -0.017 nan 8.210 nan 0.000 0.448 150 L N 1.770 122.994 121.223 0.002 0.000 2.093 150 L HA -0.106 4.234 4.340 0.000 0.000 0.208 150 L C 2.833 179.705 176.870 0.003 0.000 1.085 150 L CA 2.513 57.354 54.840 0.002 0.000 0.755 150 L CB -1.175 40.885 42.059 0.002 0.000 0.904 150 L HN 0.575 nan 8.230 nan 0.000 0.435 151 T N -4.458 110.098 114.554 0.003 0.000 3.023 151 T HA -0.094 4.256 4.350 0.000 0.000 0.266 151 T C 1.860 176.563 174.700 0.005 0.000 1.093 151 T CA 0.552 62.654 62.100 0.004 0.000 1.129 151 T CB -0.116 68.754 68.868 0.003 0.000 0.899 151 T HN 0.222 nan 8.240 nan 0.000 0.491 152 K N 1.387 121.790 120.400 0.006 0.000 1.985 152 K HA 0.012 4.332 4.320 0.000 0.000 0.210 152 K C 2.264 178.868 176.600 0.008 0.000 1.047 152 K CA 1.837 58.128 56.287 0.008 0.000 0.932 152 K CB -0.612 31.892 32.500 0.007 0.000 0.716 152 K HN 0.521 nan 8.250 nan 0.000 0.439 153 I N 0.196 120.769 120.570 0.006 0.000 2.315 153 I HA -0.265 3.905 4.170 0.000 0.000 0.251 153 I C 2.430 178.549 176.117 0.005 0.000 1.125 153 I CA 1.531 62.834 61.300 0.005 0.000 1.392 153 I CB -0.645 37.358 38.000 0.004 0.000 1.065 153 I HN 0.026 nan 8.210 nan 0.000 0.424 154 A N 2.545 125.367 122.820 0.004 0.000 1.835 154 A HA -0.122 4.198 4.320 0.000 0.000 0.213 154 A C 2.520 180.108 177.584 0.006 0.000 1.210 154 A CA 1.631 53.670 52.037 0.004 0.000 0.605 154 A CB -0.859 18.142 19.000 0.003 0.000 0.860 154 A HN 0.603 nan 8.150 nan 0.000 0.447 155 M N -0.489 119.116 119.600 0.008 0.000 2.177 155 M HA -0.264 4.216 4.480 0.000 0.000 0.248 155 M C 1.269 177.579 176.300 0.016 0.000 1.091 155 M CA 2.809 58.116 55.300 0.012 0.000 1.065 155 M CB -1.317 31.291 32.600 0.013 0.000 1.345 155 M HN 0.236 nan 8.290 nan 0.000 0.397 156 T N -0.232 114.330 114.554 0.014 0.000 3.107 156 T HA 0.127 4.477 4.350 0.000 0.000 0.249 156 T C 1.587 176.292 174.700 0.009 0.000 1.096 156 T CA 0.816 62.925 62.100 0.015 0.000 1.012 156 T CB 0.065 68.941 68.868 0.014 0.000 0.977 156 T HN 0.501 nan 8.240 nan 0.000 0.527 157 S N 1.505 117.208 115.700 0.006 0.000 2.558 157 S HA 0.214 4.684 4.470 0.000 0.000 0.217 157 S C 1.035 175.636 174.600 0.002 0.000 0.975 157 S CA 0.104 58.305 58.200 0.002 0.000 0.912 157 S CB 0.009 63.209 63.200 0.000 0.000 0.776 157 S HN 0.580 nan 8.310 nan 0.000 0.526 158 I N 1.407 121.981 120.570 0.007 0.000 2.998 158 I HA 0.339 4.509 4.170 0.000 0.000 0.338 158 I C 0.048 176.175 176.117 0.017 0.000 1.413 158 I CA -0.467 60.838 61.300 0.008 0.000 0.880 158 I CB -0.485 37.518 38.000 0.006 0.000 2.051 158 I HN -0.007 nan 8.210 nan 0.000 0.561 159 T N -2.373 112.194 114.554 0.022 0.000 2.905 159 T HA 0.631 4.981 4.350 0.000 0.000 0.283 159 T C 0.971 175.687 174.700 0.027 0.000 1.031 159 T CA -0.018 62.104 62.100 0.037 0.000 1.002 159 T CB 1.630 70.527 68.868 0.048 0.000 1.200 159 T HN 0.593 nan 8.240 nan 0.000 0.560 160 G N 1.681 110.505 108.800 0.040 0.000 2.158 160 G HA2 -0.151 3.809 3.960 0.000 0.000 0.257 160 G HA3 -0.151 3.809 3.960 0.000 0.000 0.257 160 G C -0.209 174.701 174.900 0.016 0.000 0.811 160 G CA 0.842 45.961 45.100 0.032 0.000 1.178 160 G HN 0.897 nan 8.290 nan 0.000 0.389 161 K N -0.780 119.629 120.400 0.015 0.000 2.466 161 K HA 0.562 4.882 4.320 0.000 0.000 0.277 161 K C 0.876 177.478 176.600 0.003 0.000 1.039 161 K CA -0.690 55.597 56.287 -0.001 0.000 0.904 161 K CB 0.950 33.443 32.500 -0.012 0.000 1.506 161 K HN 0.176 nan 8.250 nan 0.000 0.441 162 G N 0.435 109.230 108.800 -0.007 0.000 3.180 162 G HA2 0.316 4.277 3.960 0.000 0.000 0.246 162 G HA3 0.316 4.277 3.960 0.000 0.000 0.246 162 G C 0.271 175.175 174.900 0.006 0.000 0.939 162 G CA 0.758 45.858 45.100 0.001 0.000 1.920 162 G HN 0.663 nan 8.290 nan 0.000 0.612 163 A N 0.485 123.309 122.820 0.007 0.000 2.793 163 A HA 0.020 4.340 4.320 0.000 0.000 0.214 163 A C 1.054 178.642 177.584 0.006 0.000 2.646 163 A CA 0.558 52.598 52.037 0.006 0.000 1.821 163 A CB -1.689 17.315 19.000 0.007 0.000 0.232 163 A HN 0.763 nan 8.150 nan 0.000 0.763 164 E N 0.812 121.019 120.200 0.011 0.000 2.352 164 E HA -0.300 4.050 4.350 0.000 0.000 0.203 164 E C 1.616 178.220 176.600 0.006 0.000 1.024 164 E CA 1.857 58.265 56.400 0.015 0.000 0.842 164 E CB -0.037 29.681 29.700 0.031 0.000 0.753 164 E HN 0.540 nan 8.360 nan 0.000 0.508 165 K N 0.974 121.374 120.400 0.000 0.000 1.965 165 K HA -0.066 4.255 4.320 0.000 0.000 0.218 165 K C 1.996 178.592 176.600 -0.006 0.000 1.048 165 K CA 1.558 57.840 56.287 -0.007 0.000 0.960 165 K CB -1.085 31.412 32.500 -0.005 0.000 0.732 165 K HN 0.282 nan 8.250 nan 0.000 0.444 166 A N 2.690 125.509 122.820 -0.002 0.000 2.215 166 A HA -0.109 4.212 4.320 0.000 0.000 0.208 166 A C 1.729 179.314 177.584 0.002 0.000 1.296 166 A CA 0.986 53.023 52.037 0.000 0.000 0.918 166 A CB -0.813 18.189 19.000 0.003 0.000 0.806 166 A HN 0.479 nan 8.150 nan 0.000 0.490 167 K N 0.202 120.603 120.400 0.002 0.000 2.032 167 K HA -0.285 4.035 4.320 0.000 0.000 0.218 167 K C 1.707 178.309 176.600 0.003 0.000 1.054 167 K CA 1.702 57.991 56.287 0.004 0.000 0.941 167 K CB -0.502 32.002 32.500 0.007 0.000 0.720 167 K HN 0.473 nan 8.250 nan 0.000 0.449 168 E N 1.055 121.255 120.200 0.000 0.000 2.086 168 E HA -0.268 4.083 4.350 0.000 0.000 0.200 168 E C 2.005 178.606 176.600 0.001 0.000 1.012 168 E CA 1.892 58.292 56.400 0.000 0.000 0.812 168 E CB 0.039 29.737 29.700 -0.002 0.000 0.743 168 E HN 0.308 nan 8.360 nan 0.000 0.453 169 K N -0.386 120.015 120.400 0.002 0.000 2.262 169 K HA 0.009 4.329 4.320 0.000 0.000 0.200 169 K C 1.771 178.374 176.600 0.004 0.000 1.049 169 K CA 0.115 56.404 56.287 0.003 0.000 0.979 169 K CB 0.101 32.603 32.500 0.004 0.000 0.773 169 K HN 0.058 nan 8.250 nan 0.000 0.474 170 L N 0.313 121.539 121.223 0.004 0.000 2.456 170 L HA 0.032 4.373 4.340 0.000 0.000 0.224 170 L C 1.584 178.456 176.870 0.003 0.000 1.148 170 L CA 1.423 56.265 54.840 0.004 0.000 0.825 170 L CB -1.096 40.965 42.059 0.003 0.000 0.937 170 L HN 0.183 nan 8.230 nan 0.000 0.450 171 A N -1.446 121.375 122.820 0.003 0.000 2.431 171 A HA 0.080 4.400 4.320 0.000 0.000 0.239 171 A C 2.011 179.596 177.584 0.002 0.000 1.230 171 A CA 0.118 52.157 52.037 0.003 0.000 0.928 171 A CB 0.023 19.025 19.000 0.003 0.000 1.006 171 A HN 0.403 nan 8.150 nan 0.000 0.520 172 E N 0.530 120.732 120.200 0.003 0.000 2.389 172 E HA 0.026 4.376 4.350 0.000 0.000 0.199 172 E C 1.554 178.155 176.600 0.003 0.000 0.978 172 E CA 0.801 57.203 56.400 0.003 0.000 0.912 172 E CB -0.091 29.610 29.700 0.003 0.000 0.907 172 E HN 0.688 nan 8.360 nan 0.000 0.494 173 I N -0.268 120.304 120.570 0.003 0.000 3.603 173 I HA 0.092 4.263 4.170 0.000 0.000 0.297 173 I C 2.309 178.426 176.117 0.001 0.000 1.269 173 I CA 0.041 61.343 61.300 0.004 0.000 1.361 173 I CB -0.340 37.664 38.000 0.006 0.000 1.063 173 I HN 0.094 nan 8.210 nan 0.000 0.448 174 I N -0.328 120.242 120.570 -0.000 0.000 2.333 174 I HA -0.048 4.122 4.170 0.000 0.000 0.246 174 I C 2.233 178.349 176.117 -0.003 0.000 1.106 174 I CA 0.936 62.235 61.300 -0.002 0.000 1.411 174 I CB -0.667 37.331 38.000 -0.002 0.000 1.082 174 I HN 0.009 nan 8.210 nan 0.000 0.420 175 V N 1.942 121.856 119.914 -0.001 0.000 2.490 175 V HA -0.216 3.904 4.120 0.000 0.000 0.250 175 V C 2.594 178.687 176.094 -0.001 0.000 1.061 175 V CA 2.085 64.384 62.300 -0.001 0.000 1.064 175 V CB -0.809 31.014 31.823 0.001 0.000 0.670 175 V HN 0.479 nan 8.190 nan 0.000 0.461 176 E N 0.059 120.258 120.200 -0.001 0.000 2.112 176 E HA -0.067 4.283 4.350 0.000 0.000 0.190 176 E C 2.346 178.944 176.600 -0.003 0.000 0.979 176 E CA 1.014 57.414 56.400 -0.001 0.000 0.814 176 E CB -0.249 29.452 29.700 0.002 0.000 0.762 176 E HN 0.575 nan 8.360 nan 0.000 0.460 177 A N 1.032 123.848 122.820 -0.005 0.000 2.024 177 A HA -0.139 4.181 4.320 0.000 0.000 0.220 177 A C 2.340 179.916 177.584 -0.013 0.000 1.164 177 A CA 1.148 53.179 52.037 -0.010 0.000 0.643 177 A CB -0.305 18.688 19.000 -0.012 0.000 0.806 177 A HN 0.108 nan 8.150 nan 0.000 0.451 178 V N -1.569 118.339 119.914 -0.009 0.000 2.685 178 V HA -0.049 4.072 4.120 0.000 0.000 0.244 178 V C 2.361 178.451 176.094 -0.007 0.000 1.054 178 V CA 1.696 63.991 62.300 -0.009 0.000 1.076 178 V CB -0.348 31.469 31.823 -0.009 0.000 0.725 178 V HN 0.451 nan 8.190 nan 0.000 0.467 179 S N 0.160 115.858 115.700 -0.005 0.000 2.555 179 S HA 0.129 4.600 4.470 0.000 0.000 0.230 179 S C 1.820 176.418 174.600 -0.003 0.000 0.978 179 S CA 1.016 59.214 58.200 -0.002 0.000 0.934 179 S CB -0.010 63.190 63.200 -0.000 0.000 0.766 179 S HN 0.622 nan 8.310 nan 0.000 0.533 180 A N 0.347 123.163 122.820 -0.007 0.000 2.229 180 A HA 0.257 4.577 4.320 0.000 0.000 0.211 180 A C 2.009 179.583 177.584 -0.017 0.000 1.193 180 A CA 0.433 52.465 52.037 -0.008 0.000 0.879 180 A CB -0.182 18.812 19.000 -0.010 0.000 0.911 180 A HN 0.426 nan 8.150 nan 0.000 0.492 181 V N -2.278 117.624 119.914 -0.021 0.000 2.535 181 V HA 0.102 4.223 4.120 0.000 0.000 0.246 181 V C 1.349 177.432 176.094 -0.018 0.000 1.045 181 V CA 0.721 63.004 62.300 -0.029 0.000 1.058 181 V CB -1.091 30.714 31.823 -0.029 0.000 0.689 181 V HN 0.253 nan 8.190 nan 0.000 0.461 182 V N 4.623 124.531 119.914 -0.010 0.000 2.458 182 V HA 0.220 4.341 4.120 0.000 0.000 0.287 182 V C -0.333 175.761 176.094 0.001 0.000 1.009 182 V CA 0.241 62.538 62.300 -0.005 0.000 1.091 182 V CB -0.514 31.307 31.823 -0.004 0.000 0.960 182 V HN 0.941 nan 8.190 nan 0.000 0.476 183 D N 3.999 124.401 120.400 0.003 0.000 2.256 183 D HA 0.439 5.079 4.640 0.000 0.000 0.240 183 D C -0.244 176.060 176.300 0.006 0.000 1.062 183 D CA -0.591 53.414 54.000 0.008 0.000 0.832 183 D CB 1.341 42.149 40.800 0.014 0.000 1.135 183 D HN 0.628 nan 8.370 nan 0.000 0.484 184 D N 1.657 122.062 120.400 0.007 0.000 2.927 184 D HA -0.225 4.415 4.640 0.000 0.000 0.236 184 D C -0.595 175.707 176.300 0.004 0.000 1.163 184 D CA 0.453 54.456 54.000 0.006 0.000 0.801 184 D CB -0.644 40.159 40.800 0.006 0.000 0.975 184 D HN 0.632 nan 8.370 nan 0.000 0.413 185 E N 0.553 120.756 120.200 0.004 0.000 2.612 185 E HA -0.042 4.309 4.350 0.000 0.000 0.331 185 E C 1.081 177.682 176.600 0.002 0.000 0.695 185 E CA 1.545 57.947 56.400 0.003 0.000 1.220 185 E CB -0.680 29.022 29.700 0.003 0.000 0.606 185 E HN 0.823 nan 8.360 nan 0.000 0.452 186 G N 3.424 112.224 108.800 0.001 0.000 2.165 186 G HA2 -0.150 3.810 3.960 0.000 0.000 0.144 186 G HA3 -0.150 3.810 3.960 0.000 0.000 0.144 186 G C -0.243 174.657 174.900 -0.000 0.000 1.049 186 G CA -0.095 45.005 45.100 0.001 0.000 0.741 186 G HN 0.452 nan 8.290 nan 0.000 0.493 187 K N 0.042 120.441 120.400 -0.001 0.000 2.636 187 K HA 0.558 4.878 4.320 0.000 0.000 0.286 187 K C -1.247 175.351 176.600 -0.003 0.000 1.100 187 K CA -0.467 55.819 56.287 -0.002 0.000 0.991 187 K CB 1.665 34.164 32.500 -0.001 0.000 1.323 187 K HN 0.432 nan 8.250 nan 0.000 0.478 188 V N 3.038 122.950 119.914 -0.005 0.000 2.668 188 V HA 0.472 4.593 4.120 0.000 0.000 0.304 188 V C -1.270 174.819 176.094 -0.009 0.000 1.071 188 V CA -0.842 61.453 62.300 -0.007 0.000 0.894 188 V CB 2.076 33.896 31.823 -0.006 0.000 1.008 188 V HN 0.734 nan 8.190 nan 0.000 0.425 189 D N 4.438 124.831 120.400 -0.012 0.000 2.438 189 D HA 0.257 4.897 4.640 0.000 0.000 0.257 189 D C 0.949 177.239 176.300 -0.017 0.000 1.148 189 D CA -0.512 53.480 54.000 -0.014 0.000 0.902 189 D CB 1.719 42.511 40.800 -0.015 0.000 1.062 189 D HN 0.476 nan 8.370 nan 0.000 0.518 190 K N 0.641 121.032 120.400 -0.016 0.000 2.159 190 K HA -0.278 4.042 4.320 0.000 0.000 0.217 190 K C 0.814 177.402 176.600 -0.021 0.000 1.048 190 K CA 1.526 57.803 56.287 -0.017 0.000 0.941 190 K CB 0.006 32.498 32.500 -0.014 0.000 0.738 190 K HN 0.225 nan 8.250 nan 0.000 0.469 191 D N 0.317 120.704 120.400 -0.022 0.000 2.269 191 D HA -0.024 4.616 4.640 0.000 0.000 0.208 191 D C 1.636 177.915 176.300 -0.034 0.000 0.963 191 D CA 0.337 54.321 54.000 -0.027 0.000 0.864 191 D CB 0.034 40.819 40.800 -0.025 0.000 0.936 191 D HN 0.001 nan 8.370 nan 0.000 0.505 192 L N 0.346 121.548 121.223 -0.035 0.000 2.395 192 L HA 0.080 4.421 4.340 0.000 0.000 0.218 192 L C 0.568 177.412 176.870 -0.043 0.000 1.130 192 L CA 0.557 55.371 54.840 -0.044 0.000 0.826 192 L CB 0.033 42.064 42.059 -0.046 0.000 0.941 192 L HN 0.037 nan 8.230 nan 0.000 0.451 193 I N 0.944 121.494 120.570 -0.035 0.000 2.256 193 I HA 0.081 4.251 4.170 0.000 0.000 0.294 193 I C 0.552 176.649 176.117 -0.033 0.000 1.127 193 I CA -0.143 61.138 61.300 -0.032 0.000 1.247 193 I CB -0.142 37.843 38.000 -0.025 0.000 1.460 193 I HN 0.124 nan 8.210 nan 0.000 0.511 194 K N 6.718 127.093 120.400 -0.042 0.000 2.168 194 K HA 0.452 4.772 4.320 0.000 0.000 0.258 194 K C -0.757 175.821 176.600 -0.038 0.000 1.010 194 K CA -0.385 55.876 56.287 -0.044 0.000 0.929 194 K CB 1.084 33.549 32.500 -0.059 0.000 0.998 194 K HN 0.529 nan 8.250 nan 0.000 0.479 195 I N 0.424 120.973 120.570 -0.035 0.000 2.560 195 I HA 0.319 4.489 4.170 0.000 0.000 0.278 195 I C -0.758 175.342 176.117 -0.029 0.000 1.089 195 I CA -0.899 60.385 61.300 -0.027 0.000 1.086 195 I CB 1.243 39.232 38.000 -0.019 0.000 1.202 195 I HN 0.457 nan 8.210 nan 0.000 0.471 196 E N 4.890 125.067 120.200 -0.038 0.000 2.342 196 E HA 0.656 5.006 4.350 0.000 0.000 0.257 196 E C -0.456 176.130 176.600 -0.023 0.000 1.150 196 E CA -0.412 55.962 56.400 -0.045 0.000 0.926 196 E CB 0.860 30.511 29.700 -0.082 0.000 1.074 196 E HN 0.597 nan 8.360 nan 0.000 0.449 197 K N 2.001 122.390 120.400 -0.019 0.000 2.897 197 K HA 0.351 4.671 4.320 0.000 0.000 0.243 197 K C -0.929 175.675 176.600 0.007 0.000 1.189 197 K CA -0.887 55.401 56.287 0.001 0.000 1.032 197 K CB 0.608 33.110 32.500 0.002 0.000 1.302 197 K HN 0.064 nan 8.250 nan 0.000 0.568 198 K N 1.499 121.909 120.400 0.016 0.000 2.221 198 K HA 0.347 4.667 4.320 0.000 0.000 0.258 198 K C -0.269 176.349 176.600 0.030 0.000 0.944 198 K CA -0.589 55.713 56.287 0.025 0.000 0.823 198 K CB 2.076 34.599 32.500 0.038 0.000 1.113 198 K HN 0.637 nan 8.250 nan 0.000 0.431 199 S N 0.413 116.128 115.700 0.025 0.000 2.558 199 S HA 0.401 4.871 4.470 0.000 0.000 0.287 199 S C 0.556 175.173 174.600 0.028 0.000 1.321 199 S CA 0.094 58.308 58.200 0.023 0.000 1.048 199 S CB 0.196 63.407 63.200 0.018 0.000 0.844 199 S HN 0.815 nan 8.310 nan 0.000 0.512 200 G N 0.378 109.192 108.800 0.024 0.000 3.439 200 G HA2 0.489 4.449 3.960 0.000 0.000 0.686 200 G HA3 0.489 4.449 3.960 0.000 0.000 0.686 200 G C -0.275 174.641 174.900 0.026 0.000 1.075 200 G CA -0.462 44.653 45.100 0.024 0.000 0.926 200 G HN 1.869 nan 8.290 nan 0.000 0.485 201 A N 0.541 123.373 122.820 0.019 0.000 4.606 201 A HA 0.952 5.272 4.320 0.000 0.000 0.186 201 A C 0.463 178.054 177.584 0.013 0.000 1.077 201 A CA 1.132 53.179 52.037 0.017 0.000 0.905 201 A CB -0.612 18.398 19.000 0.016 0.000 1.747 201 A HN 2.491 nan 8.150 nan 0.000 0.872 202 S N -2.015 113.692 115.700 0.012 0.000 4.383 202 S HA 0.658 5.128 4.470 0.000 0.000 0.216 202 S C 1.147 175.754 174.600 0.012 0.000 1.122 202 S CA 0.294 58.500 58.200 0.011 0.000 1.745 202 S CB -0.146 63.058 63.200 0.007 0.000 1.094 202 S HN 1.229 nan 8.310 nan 0.000 0.754 203 I N 1.057 121.632 120.570 0.009 0.000 2.522 203 I HA 0.215 4.385 4.170 0.000 0.000 0.240 203 I C 0.861 176.983 176.117 0.008 0.000 1.078 203 I CA 0.767 62.072 61.300 0.008 0.000 1.422 203 I CB -1.420 36.583 38.000 0.005 0.000 1.188 203 I HN 0.351 nan 8.210 nan 0.000 0.442 204 D N 1.020 121.424 120.400 0.006 0.000 2.378 204 D HA -0.097 4.543 4.640 0.000 0.000 0.227 204 D C 0.740 177.046 176.300 0.009 0.000 1.012 204 D CA 0.841 54.845 54.000 0.006 0.000 0.905 204 D CB -0.377 40.425 40.800 0.003 0.000 0.895 204 D HN 0.404 nan 8.370 nan 0.000 0.532 205 D N 0.125 120.532 120.400 0.012 0.000 2.325 205 D HA -0.019 4.621 4.640 0.000 0.000 0.225 205 D C -0.038 176.275 176.300 0.022 0.000 1.096 205 D CA 0.090 54.099 54.000 0.015 0.000 0.844 205 D CB 0.257 41.066 40.800 0.016 0.000 0.925 205 D HN 0.027 nan 8.370 nan 0.000 0.513 206 T N -0.985 113.582 114.554 0.021 0.000 2.749 206 T HA 0.324 4.674 4.350 0.000 0.000 0.295 206 T C 0.086 174.801 174.700 0.025 0.000 0.936 206 T CA -0.835 61.280 62.100 0.026 0.000 1.060 206 T CB 1.165 70.045 68.868 0.020 0.000 0.904 206 T HN 0.133 nan 8.240 nan 0.000 0.500 207 E N 3.502 123.722 120.200 0.033 0.000 2.232 207 E HA 0.505 4.855 4.350 0.000 0.000 0.265 207 E C -0.836 175.784 176.600 0.033 0.000 1.001 207 E CA -1.276 55.145 56.400 0.035 0.000 0.870 207 E CB 1.469 31.197 29.700 0.046 0.000 1.175 207 E HN 0.533 nan 8.360 nan 0.000 0.407 208 L N 3.325 124.565 121.223 0.028 0.000 2.445 208 L HA 0.299 4.639 4.340 0.000 0.000 0.252 208 L C -0.038 176.850 176.870 0.030 0.000 1.105 208 L CA -0.829 54.024 54.840 0.022 0.000 0.943 208 L CB 0.489 42.556 42.059 0.013 0.000 1.277 208 L HN 0.683 nan 8.230 nan 0.000 0.465 209 I N 0.121 120.720 120.570 0.048 0.000 2.933 209 I HA -0.053 4.118 4.170 0.000 0.000 0.301 209 I C 0.383 176.518 176.117 0.030 0.000 1.163 209 I CA 0.080 61.415 61.300 0.059 0.000 1.629 209 I CB -0.315 37.749 38.000 0.106 0.000 1.530 209 I HN 0.449 nan 8.210 nan 0.000 0.755 210 K N 5.886 126.299 120.400 0.021 0.000 2.086 210 K HA 0.274 4.594 4.320 0.000 0.000 0.215 210 K C 0.604 177.203 176.600 -0.001 0.000 1.207 210 K CA 0.260 56.549 56.287 0.004 0.000 1.206 210 K CB -0.182 32.318 32.500 0.000 0.000 1.253 210 K HN 0.926 nan 8.250 nan 0.000 0.234 211 G N -0.848 107.948 108.800 -0.008 0.000 2.896 211 G HA2 0.528 4.488 3.960 0.000 0.000 0.247 211 G HA3 0.528 4.488 3.960 0.000 0.000 0.247 211 G C -1.465 173.408 174.900 -0.045 0.000 1.187 211 G CA -0.428 44.666 45.100 -0.011 0.000 0.837 211 G HN 0.112 nan 8.290 nan 0.000 0.559 212 V N 0.361 120.237 119.914 -0.063 0.000 2.668 212 V HA 0.485 4.605 4.120 0.000 0.000 0.304 212 V C -1.046 174.962 176.094 -0.143 0.000 1.071 212 V CA -0.488 61.748 62.300 -0.107 0.000 0.894 212 V CB 1.770 33.512 31.823 -0.135 0.000 1.008 212 V HN 0.605 nan 8.190 nan 0.000 0.425 213 L N 6.875 127.992 121.223 -0.177 0.000 2.264 213 L HA 0.668 5.009 4.340 0.000 0.000 0.287 213 L C -0.173 176.558 176.870 -0.232 0.000 1.039 213 L CA -0.386 54.283 54.840 -0.284 0.000 0.829 213 L CB 1.365 43.172 42.059 -0.421 0.000 1.211 213 L HN 0.647 nan 8.230 nan 0.000 0.427 214 V N 0.573 120.373 119.914 -0.190 0.000 3.093 214 V HA 0.503 4.623 4.120 0.000 0.000 0.320 214 V C -0.038 176.009 176.094 -0.078 0.000 1.093 214 V CA -0.684 61.544 62.300 -0.121 0.000 1.016 214 V CB 1.968 33.723 31.823 -0.113 0.000 1.096 214 V HN 0.557 nan 8.190 nan 0.000 0.452 215 D N 0.900 121.276 120.400 -0.041 0.000 2.587 215 D HA 0.231 4.871 4.640 0.000 0.000 0.233 215 D C -0.006 176.303 176.300 0.016 0.000 1.213 215 D CA -0.015 53.971 54.000 -0.022 0.000 0.827 215 D CB 0.134 40.916 40.800 -0.029 0.000 1.006 215 D HN 0.580 nan 8.370 nan 0.000 0.490 216 K N 0.863 121.293 120.400 0.051 0.000 2.138 216 K HA 0.371 4.691 4.320 0.000 0.000 0.263 216 K C 0.178 176.821 176.600 0.071 0.000 0.965 216 K CA -0.533 55.794 56.287 0.068 0.000 0.868 216 K CB 2.057 34.598 32.500 0.068 0.000 1.083 216 K HN 0.093 nan 8.250 nan 0.000 0.443 217 E N 1.709 121.937 120.200 0.047 0.000 2.202 217 E HA 0.279 4.630 4.350 0.000 0.000 0.272 217 E C -0.555 176.057 176.600 0.020 0.000 0.951 217 E CA -1.010 55.416 56.400 0.043 0.000 0.813 217 E CB 1.384 31.106 29.700 0.037 0.000 1.151 217 E HN 0.203 nan 8.360 nan 0.000 0.398 218 R N 1.855 122.360 120.500 0.009 0.000 3.716 218 R HA -0.109 4.231 4.340 0.000 0.000 0.303 218 R C 1.117 177.412 176.300 -0.009 0.000 0.831 218 R CA -0.047 56.045 56.100 -0.015 0.000 0.969 218 R CB -0.565 29.728 30.300 -0.011 0.000 0.957 218 R HN 0.489 nan 8.270 nan 0.000 0.374 219 V N 2.333 122.238 119.914 -0.015 0.000 2.241 219 V HA -0.335 3.785 4.120 0.000 0.000 0.256 219 V C 1.183 177.271 176.094 -0.010 0.000 1.060 219 V CA 2.506 64.799 62.300 -0.012 0.000 1.065 219 V CB -0.114 31.700 31.823 -0.015 0.000 0.685 219 V HN 0.798 nan 8.190 nan 0.000 0.467 220 S N -1.288 114.402 115.700 -0.017 0.000 2.548 220 S HA 0.504 4.974 4.470 0.000 0.000 0.277 220 S C 0.719 175.312 174.600 -0.012 0.000 1.315 220 S CA 0.020 58.212 58.200 -0.014 0.000 1.050 220 S CB 1.501 64.688 63.200 -0.022 0.000 0.918 220 S HN 0.685 nan 8.310 nan 0.000 0.497 221 A N 3.799 126.621 122.820 0.004 0.000 1.862 221 A HA 0.133 4.454 4.320 0.000 0.000 0.211 221 A C 1.741 179.325 177.584 0.001 0.000 1.220 221 A CA 1.322 53.363 52.037 0.006 0.000 0.616 221 A CB -1.362 17.648 19.000 0.018 0.000 0.878 221 A HN 0.913 nan 8.150 nan 0.000 0.453 222 Q N -1.227 118.575 119.800 0.004 0.000 2.467 222 Q HA -0.284 4.056 4.340 0.000 0.000 0.227 222 Q C 0.471 176.445 176.000 -0.042 0.000 1.304 222 Q CA 2.381 58.173 55.803 -0.019 0.000 1.011 222 Q CB -1.090 27.633 28.738 -0.025 0.000 0.988 222 Q HN 0.695 nan 8.270 nan 0.000 0.530 223 M N 1.479 121.053 119.600 -0.045 0.000 2.292 223 M HA 0.147 4.627 4.480 0.000 0.000 0.342 223 M C -2.106 174.173 176.300 -0.035 0.000 1.538 223 M CA -1.582 53.688 55.300 -0.050 0.000 1.163 223 M CB 0.787 33.353 32.600 -0.056 0.000 1.823 223 M HN -0.083 nan 8.290 nan 0.000 0.462 224 P HA -0.176 nan 4.420 nan 0.000 0.258 224 P C -0.311 176.980 177.300 -0.016 0.000 1.136 224 P CA 0.659 63.746 63.100 -0.021 0.000 0.761 224 P CB 0.300 31.989 31.700 -0.019 0.000 0.724 225 K N 3.549 123.945 120.400 -0.007 0.000 2.706 225 K HA 0.045 4.365 4.320 0.000 0.000 0.217 225 K C 0.312 176.916 176.600 0.006 0.000 1.019 225 K CA 0.507 56.795 56.287 0.001 0.000 1.181 225 K CB -0.188 32.314 32.500 0.003 0.000 0.940 225 K HN 0.441 nan 8.250 nan 0.000 0.491 226 K N 0.119 120.522 120.400 0.005 0.000 2.362 226 K HA 0.032 4.352 4.320 0.000 0.000 0.355 226 K C -1.632 174.974 176.600 0.010 0.000 1.434 226 K CA -0.148 56.146 56.287 0.011 0.000 1.207 226 K CB 0.376 32.879 32.500 0.005 0.000 1.428 226 K HN -0.151 nan 8.250 nan 0.000 0.457 227 V N 1.913 121.838 119.914 0.018 0.000 2.581 227 V HA 0.542 4.662 4.120 0.000 0.000 0.303 227 V C 0.726 176.834 176.094 0.023 0.000 1.041 227 V CA -0.733 61.576 62.300 0.016 0.000 0.907 227 V CB 1.555 33.384 31.823 0.011 0.000 0.994 227 V HN 0.824 nan 8.190 nan 0.000 0.442 228 T N 0.287 114.850 114.554 0.016 0.000 2.771 228 T HA 0.323 4.673 4.350 0.000 0.000 0.290 228 T C -0.171 174.543 174.700 0.023 0.000 1.005 228 T CA -0.126 61.985 62.100 0.018 0.000 0.944 228 T CB 0.080 68.955 68.868 0.012 0.000 1.147 228 T HN 1.025 nan 8.240 nan 0.000 0.534 229 D N -1.166 119.248 120.400 0.023 0.000 2.982 229 D HA 0.009 4.649 4.640 0.000 0.000 0.207 229 D C -0.262 176.053 176.300 0.025 0.000 1.258 229 D CA 0.453 54.466 54.000 0.023 0.000 0.758 229 D CB -1.706 39.108 40.800 0.024 0.000 0.886 229 D HN 0.929 nan 8.370 nan 0.000 0.389 230 A N 0.886 123.727 122.820 0.035 0.000 2.317 230 A HA 0.617 4.937 4.320 0.000 0.000 0.327 230 A C -0.001 177.612 177.584 0.048 0.000 1.178 230 A CA -1.073 50.989 52.037 0.041 0.000 0.817 230 A CB 1.178 20.211 19.000 0.055 0.000 1.189 230 A HN 0.127 nan 8.150 nan 0.000 0.489 231 K N 2.402 122.828 120.400 0.043 0.000 2.357 231 K HA 0.477 4.797 4.320 0.000 0.000 0.251 231 K C -0.813 175.824 176.600 0.062 0.000 1.069 231 K CA -0.116 56.198 56.287 0.046 0.000 0.994 231 K CB 0.255 32.774 32.500 0.031 0.000 1.411 231 K HN 0.580 nan 8.250 nan 0.000 0.450 232 I N 1.783 122.410 120.570 0.095 0.000 2.696 232 I HA 0.234 4.405 4.170 0.000 0.000 0.284 232 I C 0.354 176.546 176.117 0.125 0.000 1.129 232 I CA 0.063 61.455 61.300 0.154 0.000 1.410 232 I CB 1.042 39.191 38.000 0.248 0.000 1.399 232 I HN 0.562 nan 8.210 nan 0.000 0.579 233 A N 7.044 129.944 122.820 0.132 0.000 2.330 233 A HA 0.785 5.105 4.320 0.000 0.000 0.313 233 A C -0.866 176.802 177.584 0.140 0.000 1.124 233 A CA -0.613 51.484 52.037 0.099 0.000 0.774 233 A CB 0.550 19.585 19.000 0.058 0.000 1.198 233 A HN 0.618 nan 8.150 nan 0.000 0.465 234 L N 3.491 124.779 121.223 0.108 0.000 2.264 234 L HA 0.364 4.705 4.340 0.000 0.000 0.287 234 L C -0.862 176.056 176.870 0.079 0.000 1.039 234 L CA -0.715 54.193 54.840 0.113 0.000 0.829 234 L CB 0.783 42.887 42.059 0.076 0.000 1.211 234 L HN 0.419 nan 8.230 nan 0.000 0.427 235 L N 4.027 125.301 121.223 0.084 0.000 2.257 235 L HA 0.206 4.546 4.340 0.000 0.000 0.290 235 L C 0.994 177.897 176.870 0.054 0.000 1.044 235 L CA 0.164 55.038 54.840 0.058 0.000 0.810 235 L CB 1.008 43.098 42.059 0.052 0.000 1.193 235 L HN 0.635 nan 8.230 nan 0.000 0.425 236 N N 2.564 121.287 118.700 0.039 0.000 2.376 236 N HA -0.084 4.657 4.740 0.000 0.000 0.177 236 N C 0.532 176.060 175.510 0.029 0.000 1.024 236 N CA 0.309 53.379 53.050 0.032 0.000 0.893 236 N CB 0.167 38.668 38.487 0.023 0.000 0.980 236 N HN 0.532 nan 8.380 nan 0.000 0.439 237 C N 1.359 120.675 119.300 0.027 0.000 2.307 237 C HA 0.799 5.259 4.460 0.000 0.000 0.340 237 C C 0.482 175.487 174.990 0.024 0.000 1.275 237 C CA -0.593 58.438 59.018 0.022 0.000 1.811 237 C CB -1.073 26.678 27.740 0.018 0.000 2.372 237 C HN 0.719 nan 8.230 nan 0.000 0.531 238 A N 5.480 128.313 122.820 0.022 0.000 1.550 238 A HA -0.177 4.144 4.320 0.000 0.000 0.204 238 A C 0.394 177.991 177.584 0.021 0.000 1.224 238 A CA 0.888 52.937 52.037 0.019 0.000 0.680 238 A CB -1.164 17.846 19.000 0.017 0.000 1.156 238 A HN 1.253 nan 8.150 nan 0.000 0.204 239 I N 1.201 121.785 120.570 0.022 0.000 3.855 239 I HA 0.050 4.220 4.170 0.000 0.000 0.327 239 I C 1.142 177.275 176.117 0.027 0.000 1.359 239 I CA 0.724 62.038 61.300 0.025 0.000 1.142 239 I CB -0.168 37.848 38.000 0.026 0.000 1.041 239 I HN 0.826 nan 8.210 nan 0.000 0.403 240 E N 1.685 121.899 120.200 0.023 0.000 2.103 240 E HA 0.268 4.618 4.350 0.000 0.000 0.254 240 E C -0.596 176.016 176.600 0.021 0.000 0.940 240 E CA -0.436 55.976 56.400 0.021 0.000 0.771 240 E CB 0.782 30.492 29.700 0.017 0.000 1.153 240 E HN 0.138 nan 8.360 nan 0.000 0.428 241 E N 1.938 122.153 120.200 0.025 0.000 2.412 241 E HA 0.389 4.739 4.350 0.000 0.000 0.255 241 E C -0.668 175.946 176.600 0.024 0.000 0.933 241 E CA -1.068 55.346 56.400 0.023 0.000 0.823 241 E CB 1.807 31.521 29.700 0.025 0.000 1.352 241 E HN 0.331 nan 8.360 nan 0.000 0.406 242 T N 0.716 115.283 114.554 0.022 0.000 2.829 242 T HA 0.498 4.848 4.350 0.000 0.000 0.282 242 T C -0.374 174.341 174.700 0.024 0.000 0.990 242 T CA -0.117 61.995 62.100 0.020 0.000 1.028 242 T CB 0.966 69.843 68.868 0.015 0.000 0.951 242 T HN 0.610 nan 8.240 nan 0.000 0.460 243 A N 3.428 126.263 122.820 0.024 0.000 2.031 243 A HA 0.144 4.464 4.320 0.000 0.000 0.326 243 A C 1.010 178.618 177.584 0.040 0.000 1.069 243 A CA 1.205 53.258 52.037 0.028 0.000 1.485 243 A CB -1.120 17.893 19.000 0.023 0.000 0.679 243 A HN 1.515 nan 8.150 nan 0.000 0.247 244 S N 0.310 116.045 115.700 0.057 0.000 3.701 244 S HA -0.194 4.276 4.470 0.000 0.000 0.633 244 S C 1.119 175.770 174.600 0.086 0.000 2.263 244 S CA 1.325 59.570 58.200 0.075 0.000 2.658 244 S CB -1.484 61.751 63.200 0.059 0.000 0.323 244 S HN 1.831 nan 8.310 nan 0.000 1.605 245 E N -0.298 119.939 120.200 0.062 0.000 3.615 245 E HA -0.386 3.964 4.350 0.000 0.000 0.480 245 E C 1.774 178.392 176.600 0.031 0.000 1.619 245 E CA 2.443 58.864 56.400 0.035 0.000 1.262 245 E CB -0.719 28.992 29.700 0.019 0.000 1.130 245 E HN 0.606 nan 8.360 nan 0.000 0.365 246 M N -0.047 119.568 119.600 0.026 0.000 2.124 246 M HA -0.269 4.212 4.480 0.000 0.000 0.253 246 M C 2.465 178.784 176.300 0.032 0.000 1.077 246 M CA 1.718 57.031 55.300 0.022 0.000 1.085 246 M CB -0.308 32.304 32.600 0.020 0.000 1.320 246 M HN 0.398 nan 8.290 nan 0.000 0.404 247 L N -0.464 120.791 121.223 0.054 0.000 2.376 247 L HA -0.177 4.164 4.340 0.000 0.000 0.219 247 L C 2.239 179.170 176.870 0.101 0.000 1.133 247 L CA 1.116 55.999 54.840 0.073 0.000 0.816 247 L CB -0.214 41.895 42.059 0.084 0.000 0.933 247 L HN 0.299 nan 8.230 nan 0.000 0.449 248 K N -0.643 119.808 120.400 0.086 0.000 2.211 248 K HA -0.117 4.203 4.320 0.000 0.000 0.201 248 K C 1.426 177.978 176.600 -0.080 0.000 1.052 248 K CA 0.768 57.051 56.287 -0.008 0.000 0.973 248 K CB 0.240 32.680 32.500 -0.100 0.000 0.766 248 K HN 0.156 nan 8.250 nan 0.000 0.466 249 D N 0.560 120.937 120.400 -0.039 0.000 2.312 249 D HA -0.074 4.566 4.640 0.000 0.000 0.211 249 D C 1.607 177.892 176.300 -0.025 0.000 0.964 249 D CA 0.885 54.860 54.000 -0.042 0.000 0.877 249 D CB 0.184 40.967 40.800 -0.029 0.000 0.924 249 D HN 0.313 nan 8.370 nan 0.000 0.515 250 M N -0.342 119.255 119.600 -0.006 0.000 2.193 250 M HA -0.108 4.372 4.480 0.000 0.000 0.265 250 M C 2.284 178.588 176.300 0.005 0.000 1.071 250 M CA 0.686 55.989 55.300 0.006 0.000 1.140 250 M CB -0.145 32.466 32.600 0.018 0.000 1.369 250 M HN -0.110 nan 8.290 nan 0.000 0.423 251 V N 0.561 120.482 119.914 0.012 0.000 2.220 251 V HA -0.284 3.836 4.120 0.000 0.000 0.250 251 V C 2.384 178.460 176.094 -0.031 0.000 1.056 251 V CA 2.155 64.459 62.300 0.006 0.000 1.016 251 V CB -1.948 29.915 31.823 0.066 0.000 0.639 251 V HN 0.552 nan 8.190 nan 0.000 0.446 252 A N -1.206 121.571 122.820 -0.072 0.000 2.239 252 A HA -0.045 4.275 4.320 0.000 0.000 0.209 252 A C 2.168 179.724 177.584 -0.045 0.000 1.171 252 A CA 0.937 52.927 52.037 -0.078 0.000 0.768 252 A CB -0.435 18.497 19.000 -0.112 0.000 0.790 252 A HN 0.593 nan 8.150 nan 0.000 0.478 253 E N 0.164 120.345 120.200 -0.030 0.000 2.030 253 E HA -0.053 4.297 4.350 0.000 0.000 0.189 253 E C 1.777 178.370 176.600 -0.012 0.000 0.974 253 E CA 0.852 57.241 56.400 -0.018 0.000 0.807 253 E CB -0.167 29.526 29.700 -0.011 0.000 0.771 253 E HN 0.685 nan 8.360 nan 0.000 0.451 254 I N 1.410 121.975 120.570 -0.009 0.000 2.315 254 I HA -0.297 3.873 4.170 0.000 0.000 0.251 254 I C 2.533 178.645 176.117 -0.009 0.000 1.125 254 I CA 1.386 62.683 61.300 -0.006 0.000 1.392 254 I CB -0.203 37.795 38.000 -0.003 0.000 1.065 254 I HN 0.009 nan 8.210 nan 0.000 0.424 255 K N 1.439 121.829 120.400 -0.016 0.000 2.202 255 K HA 0.104 4.424 4.320 0.000 0.000 0.201 255 K C 2.205 178.796 176.600 -0.015 0.000 1.051 255 K CA 0.992 57.269 56.287 -0.017 0.000 0.977 255 K CB -0.169 32.318 32.500 -0.023 0.000 0.792 255 K HN 0.122 nan 8.250 nan 0.000 0.469 256 A N 1.007 123.817 122.820 -0.017 0.000 1.954 256 A HA -0.301 4.019 4.320 0.000 0.000 0.222 256 A C 2.237 179.817 177.584 -0.007 0.000 1.199 256 A CA 2.664 54.693 52.037 -0.013 0.000 0.657 256 A CB -1.235 17.756 19.000 -0.015 0.000 0.823 256 A HN 0.617 nan 8.150 nan 0.000 0.463 257 S N -2.135 113.563 115.700 -0.004 0.000 2.303 257 S HA 0.360 4.831 4.470 0.000 0.000 0.207 257 S C 1.445 176.046 174.600 0.003 0.000 1.025 257 S CA 1.722 59.922 58.200 0.001 0.000 0.953 257 S CB -0.243 62.959 63.200 0.002 0.000 0.932 257 S HN 1.480 nan 8.310 nan 0.000 0.472 258 G N -0.522 108.281 108.800 0.005 0.000 4.446 258 G HA2 0.431 4.391 3.960 0.000 0.000 0.205 258 G HA3 0.431 4.391 3.960 0.000 0.000 0.205 258 G C 0.248 175.151 174.900 0.005 0.000 0.820 258 G CA 0.125 45.228 45.100 0.004 0.000 0.792 258 G HN 1.136 nan 8.290 nan 0.000 0.525 259 A N 1.741 124.564 122.820 0.005 0.000 1.945 259 A HA -0.092 4.228 4.320 0.000 0.000 0.328 259 A C 1.889 179.468 177.584 -0.008 0.000 1.266 259 A CA 1.324 53.363 52.037 0.002 0.000 1.431 259 A CB -0.859 18.142 19.000 0.001 0.000 0.719 259 A HN 0.974 nan 8.150 nan 0.000 0.284 260 N N 0.585 119.282 118.700 -0.004 0.000 2.289 260 N HA -0.043 4.697 4.740 0.000 0.000 0.184 260 N C -0.001 175.489 175.510 -0.032 0.000 1.016 260 N CA 1.884 54.926 53.050 -0.013 0.000 0.872 260 N CB -0.137 38.345 38.487 -0.009 0.000 0.973 260 N HN 0.442 nan 8.380 nan 0.000 0.433 261 V N 0.240 120.134 119.914 -0.033 0.000 2.777 261 V HA 0.510 4.630 4.120 0.000 0.000 0.306 261 V C -1.318 174.716 176.094 -0.100 0.000 1.112 261 V CA -0.904 61.345 62.300 -0.085 0.000 0.917 261 V CB 1.983 33.809 31.823 0.004 0.000 1.018 261 V HN 0.181 nan 8.190 nan 0.000 0.426 262 L N 4.589 125.651 121.223 -0.268 0.000 2.493 262 L HA 0.741 5.081 4.340 0.000 0.000 0.265 262 L C -1.894 174.709 176.870 -0.445 0.000 0.954 262 L CA -0.088 54.644 54.840 -0.180 0.000 0.844 262 L CB 2.102 44.103 42.059 -0.096 0.000 1.302 262 L HN 0.556 nan 8.230 nan 0.000 0.405 263 F N 3.806 123.760 119.950 0.007 0.000 2.496 263 F HA 0.455 4.982 4.527 0.000 0.000 0.341 263 F C -0.088 175.714 175.800 0.004 0.000 1.134 263 F CA -0.770 57.233 58.000 0.005 0.000 0.968 263 F CB 1.398 40.399 39.000 0.001 0.000 1.205 263 F HN 0.476 nan 8.300 nan 0.000 0.436 264 C N 1.696 121.078 119.300 0.136 0.000 2.281 264 C HA 0.428 4.888 4.460 0.000 0.000 0.325 264 C C 1.509 176.547 174.990 0.080 0.000 1.282 264 C CA -0.812 58.260 59.018 0.088 0.000 1.640 264 C CB 0.802 28.570 27.740 0.048 0.000 2.288 264 C HN 1.048 nan 8.230 nan 0.000 0.507 265 Q N 1.920 121.759 119.800 0.066 0.000 2.268 265 Q HA -0.116 4.224 4.340 0.000 0.000 0.210 265 Q C 0.483 176.504 176.000 0.034 0.000 0.988 265 Q CA 1.731 57.561 55.803 0.045 0.000 0.883 265 Q CB 0.179 28.937 28.738 0.033 0.000 0.911 265 Q HN 0.829 nan 8.270 nan 0.000 0.430 266 K N -1.276 119.144 120.400 0.034 0.000 2.509 266 K HA 0.436 4.756 4.320 0.000 0.000 0.266 266 K C -0.177 176.438 176.600 0.025 0.000 0.987 266 K CA -0.345 55.958 56.287 0.026 0.000 0.868 266 K CB 1.137 33.650 32.500 0.021 0.000 1.421 266 K HN 0.111 nan 8.250 nan 0.000 0.444 267 G N 0.601 109.413 108.800 0.020 0.000 2.647 267 G HA2 0.389 4.349 3.960 0.000 0.000 0.271 267 G HA3 0.389 4.349 3.960 0.000 0.000 0.271 267 G C -0.203 174.706 174.900 0.016 0.000 1.300 267 G CA -0.399 44.711 45.100 0.017 0.000 0.997 267 G HN 0.432 nan 8.290 nan 0.000 0.533 268 I N -0.539 120.038 120.570 0.012 0.000 2.607 268 I HA 0.208 4.378 4.170 0.000 0.000 0.290 268 I C -1.001 175.122 176.117 0.010 0.000 1.129 268 I CA -0.651 60.656 61.300 0.012 0.000 1.042 268 I CB 2.429 40.432 38.000 0.006 0.000 1.242 268 I HN 0.513 nan 8.210 nan 0.000 0.421 269 D N 2.820 123.227 120.400 0.013 0.000 2.348 269 D HA 0.189 4.829 4.640 0.000 0.000 0.249 269 D C 0.379 176.679 176.300 0.000 0.000 1.110 269 D CA -0.041 53.963 54.000 0.007 0.000 0.967 269 D CB 1.448 42.255 40.800 0.012 0.000 1.139 269 D HN 0.485 nan 8.370 nan 0.000 0.466 270 D N 0.279 120.672 120.400 -0.010 0.000 2.289 270 D HA -0.014 4.626 4.640 0.000 0.000 0.207 270 D C 1.390 177.665 176.300 -0.042 0.000 0.966 270 D CA 0.250 54.239 54.000 -0.019 0.000 0.868 270 D CB 0.105 40.892 40.800 -0.022 0.000 0.943 270 D HN 0.210 nan 8.370 nan 0.000 0.514 271 L N -0.133 121.055 121.223 -0.059 0.000 2.492 271 L HA 0.271 4.612 4.340 0.000 0.000 0.223 271 L C 1.716 178.482 176.870 -0.173 0.000 1.132 271 L CA 0.706 55.464 54.840 -0.136 0.000 0.850 271 L CB -0.394 41.577 42.059 -0.145 0.000 0.966 271 L HN -0.042 nan 8.230 nan 0.000 0.454 272 A N -0.197 122.607 122.820 -0.026 0.000 1.874 272 A HA -0.150 4.170 4.320 0.000 0.000 0.214 272 A C 2.021 179.626 177.584 0.034 0.000 1.189 272 A CA 1.114 53.186 52.037 0.057 0.000 0.615 272 A CB -0.489 18.575 19.000 0.107 0.000 0.830 272 A HN 0.591 nan 8.150 nan 0.000 0.443 273 Q N -0.244 119.558 119.800 0.005 0.000 2.103 273 Q HA -0.332 4.008 4.340 0.000 0.000 0.213 273 Q C 1.777 177.753 176.000 -0.040 0.000 1.008 273 Q CA 2.155 57.951 55.803 -0.011 0.000 0.879 273 Q CB -1.132 27.596 28.738 -0.018 0.000 0.946 273 Q HN 0.744 nan 8.270 nan 0.000 0.413 274 H N -0.312 118.697 119.070 -0.101 0.000 2.266 274 H HA -0.284 4.273 4.556 0.000 0.000 0.274 274 H C 1.766 177.032 175.328 -0.102 0.000 1.140 274 H CA 2.701 58.648 56.048 -0.168 0.000 1.186 274 H CB -0.434 29.203 29.762 -0.208 0.000 1.412 274 H HN 0.452 nan 8.280 nan 0.000 0.513 275 Y N 0.375 120.631 120.300 -0.074 0.000 2.070 275 Y HA -0.206 4.345 4.550 0.000 0.000 0.279 275 Y C 3.064 178.889 175.900 -0.125 0.000 1.134 275 Y CA 0.908 58.958 58.100 -0.082 0.000 1.113 275 Y CB -0.934 37.521 38.460 -0.008 0.000 0.981 275 Y HN 0.144 nan 8.280 nan 0.000 0.487 276 L N -0.562 120.703 121.223 0.069 0.000 2.129 276 L HA -0.230 4.110 4.340 0.000 0.000 0.212 276 L C 2.317 179.153 176.870 -0.057 0.000 1.087 276 L CA 2.025 56.863 54.840 -0.003 0.000 0.757 276 L CB -1.982 40.069 42.059 -0.012 0.000 0.896 276 L HN 0.294 nan 8.230 nan 0.000 0.434 277 A N -0.735 122.012 122.820 -0.122 0.000 2.081 277 A HA -0.085 4.235 4.320 0.000 0.000 0.214 277 A C 2.336 179.813 177.584 -0.180 0.000 1.158 277 A CA 0.393 52.340 52.037 -0.150 0.000 0.724 277 A CB -0.206 18.702 19.000 -0.153 0.000 0.826 277 A HN 0.224 nan 8.150 nan 0.000 0.463 278 K N -0.103 120.147 120.400 -0.250 0.000 2.127 278 K HA -0.259 4.061 4.320 0.000 0.000 0.212 278 K C 1.338 177.913 176.600 -0.041 0.000 1.050 278 K CA 2.237 58.444 56.287 -0.132 0.000 0.929 278 K CB -0.092 32.369 32.500 -0.066 0.000 0.715 278 K HN 0.627 nan 8.250 nan 0.000 0.457 279 E N -2.376 117.804 120.200 -0.034 0.000 2.489 279 E HA 0.105 4.455 4.350 0.000 0.000 0.204 279 E C 0.585 177.170 176.600 -0.026 0.000 1.006 279 E CA 0.402 56.788 56.400 -0.023 0.000 0.936 279 E CB 1.166 30.855 29.700 -0.019 0.000 1.002 279 E HN 0.488 nan 8.360 nan 0.000 0.488 280 G N 1.695 110.474 108.800 -0.036 0.000 2.141 280 G HA2 -0.253 3.707 3.960 0.000 0.000 0.242 280 G HA3 -0.253 3.707 3.960 0.000 0.000 0.242 280 G C 0.272 175.152 174.900 -0.034 0.000 0.982 280 G CA -0.094 44.987 45.100 -0.032 0.000 0.662 280 G HN 0.229 nan 8.290 nan 0.000 0.527 281 I N 0.801 121.348 120.570 -0.038 0.000 2.664 281 I HA 0.243 4.413 4.170 0.000 0.000 0.284 281 I C 1.113 177.191 176.117 -0.065 0.000 1.154 281 I CA -0.030 61.242 61.300 -0.047 0.000 1.402 281 I CB 0.452 38.427 38.000 -0.040 0.000 1.395 281 I HN -0.068 nan 8.210 nan 0.000 0.545 282 V N 6.299 126.163 119.914 -0.083 0.000 2.973 282 V HA 0.873 4.993 4.120 0.000 0.000 0.314 282 V C 0.238 176.233 176.094 -0.165 0.000 1.066 282 V CA -0.278 61.955 62.300 -0.111 0.000 1.021 282 V CB 1.878 33.629 31.823 -0.120 0.000 1.076 282 V HN 0.973 nan 8.190 nan 0.000 0.462 283 A N 3.016 125.723 122.820 -0.187 0.000 2.577 283 A HA 0.870 5.190 4.320 0.000 0.000 0.297 283 A C -1.000 176.468 177.584 -0.193 0.000 1.060 283 A CA -0.012 51.906 52.037 -0.199 0.000 0.697 283 A CB 1.574 20.512 19.000 -0.104 0.000 1.281 283 A HN 1.676 nan 8.150 nan 0.000 0.402 284 A N 1.888 124.576 122.820 -0.219 0.000 2.335 284 A HA 0.774 5.094 4.320 0.000 0.000 0.304 284 A C -0.048 177.535 177.584 -0.002 0.000 1.118 284 A CA -0.443 51.529 52.037 -0.108 0.000 0.757 284 A CB 0.689 19.661 19.000 -0.047 0.000 1.188 284 A HN 1.513 nan 8.150 nan 0.000 0.460 285 R N 1.447 121.953 120.500 0.011 0.000 2.700 285 R HA 0.620 4.960 4.340 0.000 0.000 0.253 285 R C 0.462 176.784 176.300 0.038 0.000 1.091 285 R CA -0.585 55.530 56.100 0.024 0.000 1.104 285 R CB 0.365 30.672 30.300 0.011 0.000 1.202 285 R HN 0.588 nan 8.270 nan 0.000 0.532 286 R N 0.097 120.616 120.500 0.032 0.000 2.886 286 R HA -0.172 4.168 4.340 0.000 0.000 0.185 286 R C -0.268 176.054 176.300 0.038 0.000 0.813 286 R CA 0.895 57.014 56.100 0.031 0.000 0.622 286 R CB -1.347 28.966 30.300 0.021 0.000 1.342 286 R HN 0.444 nan 8.270 nan 0.000 0.577 287 V N 1.254 121.203 119.914 0.058 0.000 2.839 287 V HA -0.222 3.898 4.120 0.000 0.000 0.296 287 V C 0.945 177.064 176.094 0.041 0.000 1.239 287 V CA 1.180 63.523 62.300 0.071 0.000 1.349 287 V CB 0.098 32.004 31.823 0.138 0.000 0.852 287 V HN 0.230 nan 8.190 nan 0.000 0.504 288 K N 4.831 125.243 120.400 0.020 0.000 2.156 288 K HA 0.229 4.550 4.320 0.000 0.000 0.271 288 K C 1.263 177.861 176.600 -0.003 0.000 0.995 288 K CA -0.708 55.583 56.287 0.007 0.000 0.890 288 K CB 1.263 33.764 32.500 0.000 0.000 1.073 288 K HN 0.683 nan 8.250 nan 0.000 0.454 289 K N 1.446 121.845 120.400 -0.002 0.000 2.137 289 K HA -0.358 3.962 4.320 0.000 0.000 0.216 289 K C 1.610 178.197 176.600 -0.022 0.000 1.052 289 K CA 2.526 58.808 56.287 -0.008 0.000 0.939 289 K CB -0.296 32.201 32.500 -0.004 0.000 0.724 289 K HN 0.509 nan 8.250 nan 0.000 0.465 290 S N 1.564 117.249 115.700 -0.024 0.000 2.365 290 S HA -0.199 4.272 4.470 0.000 0.000 0.225 290 S C 1.498 176.066 174.600 -0.054 0.000 1.039 290 S CA 2.157 60.336 58.200 -0.035 0.000 1.033 290 S CB -0.604 62.577 63.200 -0.033 0.000 0.887 290 S HN 0.743 nan 8.310 nan 0.000 0.447 291 D N 0.263 120.627 120.400 -0.061 0.000 2.123 291 D HA -0.168 4.472 4.640 0.000 0.000 0.196 291 D C 1.816 178.038 176.300 -0.131 0.000 0.992 291 D CA 1.217 55.158 54.000 -0.097 0.000 0.833 291 D CB -0.402 40.321 40.800 -0.128 0.000 0.954 291 D HN 0.321 nan 8.370 nan 0.000 0.455 292 M N 0.118 119.668 119.600 -0.083 0.000 2.229 292 M HA -0.013 4.467 4.480 0.000 0.000 0.264 292 M C 1.269 177.531 176.300 -0.063 0.000 1.063 292 M CA 1.426 56.687 55.300 -0.066 0.000 1.114 292 M CB -0.164 32.422 32.600 -0.022 0.000 1.387 292 M HN 0.136 nan 8.290 nan 0.000 0.420 293 E N -1.494 118.672 120.200 -0.057 0.000 2.474 293 E HA -0.020 4.330 4.350 0.000 0.000 0.194 293 E C 1.332 177.892 176.600 -0.068 0.000 1.041 293 E CA 0.401 56.771 56.400 -0.051 0.000 0.874 293 E CB 0.037 29.716 29.700 -0.035 0.000 0.914 293 E HN 0.454 nan 8.360 nan 0.000 0.498 294 K N 0.200 120.545 120.400 -0.091 0.000 2.354 294 K HA 0.181 4.501 4.320 0.000 0.000 0.194 294 K C 1.587 178.105 176.600 -0.136 0.000 1.045 294 K CA 0.048 56.272 56.287 -0.104 0.000 1.026 294 K CB 0.402 32.844 32.500 -0.096 0.000 0.866 294 K HN 0.045 nan 8.250 nan 0.000 0.530 295 L N 0.677 121.791 121.223 -0.182 0.000 2.341 295 L HA 0.014 4.354 4.340 0.000 0.000 0.214 295 L C 2.319 179.108 176.870 -0.135 0.000 1.115 295 L CA 0.455 55.152 54.840 -0.239 0.000 0.820 295 L CB -0.160 41.658 42.059 -0.401 0.000 0.944 295 L HN 0.156 nan 8.230 nan 0.000 0.452 296 A N 0.243 123.007 122.820 -0.094 0.000 1.902 296 A HA -0.194 4.126 4.320 0.000 0.000 0.217 296 A C 2.232 179.794 177.584 -0.037 0.000 1.181 296 A CA 1.621 53.629 52.037 -0.047 0.000 0.623 296 A CB -0.162 18.821 19.000 -0.030 0.000 0.818 296 A HN 0.356 nan 8.150 nan 0.000 0.443 297 K N -0.886 119.477 120.400 -0.062 0.000 2.308 297 K HA 0.330 4.650 4.320 0.000 0.000 0.197 297 K C 2.175 178.707 176.600 -0.113 0.000 1.049 297 K CA 0.591 56.823 56.287 -0.093 0.000 0.991 297 K CB -0.002 32.442 32.500 -0.095 0.000 0.836 297 K HN 0.364 nan 8.250 nan 0.000 0.500 298 A N 1.769 124.535 122.820 -0.091 0.000 1.832 298 A HA -0.148 4.172 4.320 0.000 0.000 0.214 298 A C 2.419 179.977 177.584 -0.043 0.000 1.204 298 A CA 2.214 54.206 52.037 -0.077 0.000 0.606 298 A CB -1.239 17.714 19.000 -0.079 0.000 0.849 298 A HN 0.373 nan 8.150 nan 0.000 0.445 299 T N -4.047 110.490 114.554 -0.028 0.000 2.737 299 T HA 0.314 4.664 4.350 0.000 0.000 0.265 299 T C 1.479 176.205 174.700 0.044 0.000 1.038 299 T CA 2.054 64.161 62.100 0.011 0.000 1.144 299 T CB -0.262 68.616 68.868 0.017 0.000 0.866 299 T HN 1.697 nan 8.240 nan 0.000 0.434 300 G N 0.779 109.603 108.800 0.041 0.000 2.613 300 G HA2 0.269 4.229 3.960 0.000 0.000 0.199 300 G HA3 0.269 4.229 3.960 0.000 0.000 0.199 300 G C 0.384 175.327 174.900 0.072 0.000 0.991 300 G CA -0.069 45.083 45.100 0.086 0.000 0.756 300 G HN 1.114 nan 8.290 nan 0.000 0.515 301 A N 0.150 122.996 122.820 0.044 0.000 2.617 301 A HA 0.256 4.576 4.320 0.000 0.000 0.232 301 A C 0.404 178.003 177.584 0.025 0.000 1.027 301 A CA 1.363 53.419 52.037 0.032 0.000 0.806 301 A CB -0.230 18.782 19.000 0.020 0.000 0.908 301 A HN 0.912 nan 8.150 nan 0.000 0.484 302 N N 0.694 119.409 118.700 0.025 0.000 2.439 302 N HA 0.383 5.123 4.740 0.000 0.000 0.249 302 N C -0.281 175.239 175.510 0.017 0.000 1.003 302 N CA -0.501 52.561 53.050 0.020 0.000 0.942 302 N CB 1.848 40.347 38.487 0.020 0.000 1.115 302 N HN 0.759 nan 8.380 nan 0.000 0.505 303 V N 4.937 124.858 119.914 0.011 0.000 2.539 303 V HA 0.047 4.167 4.120 0.000 0.000 0.300 303 V C 0.405 176.508 176.094 0.015 0.000 1.019 303 V CA -0.082 62.225 62.300 0.011 0.000 1.160 303 V CB -0.607 31.218 31.823 0.004 0.000 0.901 303 V HN 0.672 nan 8.190 nan 0.000 0.481 304 I N 4.498 125.080 120.570 0.020 0.000 2.947 304 I HA 0.555 4.725 4.170 0.000 0.000 0.314 304 I C 1.220 177.348 176.117 0.018 0.000 1.028 304 I CA -0.112 61.200 61.300 0.019 0.000 1.077 304 I CB 2.057 40.069 38.000 0.021 0.000 1.274 304 I HN 0.800 nan 8.210 nan 0.000 0.485 305 T N 1.364 115.927 114.554 0.016 0.000 2.523 305 T HA -0.116 4.234 4.350 0.000 0.000 0.253 305 T C 1.018 175.728 174.700 0.017 0.000 1.139 305 T CA 0.857 62.966 62.100 0.015 0.000 1.230 305 T CB -0.623 68.252 68.868 0.012 0.000 0.871 305 T HN 0.726 nan 8.240 nan 0.000 0.396 306 N N 0.459 119.169 118.700 0.017 0.000 2.458 306 N HA 0.242 4.982 4.740 0.000 0.000 0.271 306 N C 0.982 176.505 175.510 0.022 0.000 1.210 306 N CA -0.251 52.810 53.050 0.018 0.000 0.978 306 N CB 1.191 39.687 38.487 0.015 0.000 1.206 306 N HN 0.450 nan 8.380 nan 0.000 0.536 307 I N 2.212 122.796 120.570 0.024 0.000 4.901 307 I HA -0.537 3.633 4.170 0.000 0.000 0.039 307 I C 1.903 178.031 176.117 0.018 0.000 0.635 307 I CA 3.156 64.469 61.300 0.021 0.000 0.255 307 I CB -0.771 37.242 38.000 0.022 0.000 0.342 307 I HN 0.910 nan 8.210 nan 0.000 0.157 308 K N -0.156 120.253 120.400 0.014 0.000 2.347 308 K HA -0.325 3.995 4.320 0.000 0.000 0.209 308 K C 1.549 178.156 176.600 0.010 0.000 1.020 308 K CA 2.648 58.941 56.287 0.011 0.000 0.924 308 K CB -1.037 31.468 32.500 0.009 0.000 0.863 308 K HN 0.744 nan 8.250 nan 0.000 0.495 309 D N 0.199 120.606 120.400 0.013 0.000 2.340 309 D HA 0.076 4.716 4.640 0.000 0.000 0.220 309 D C -0.150 176.158 176.300 0.014 0.000 1.039 309 D CA 0.224 54.232 54.000 0.013 0.000 0.866 309 D CB 0.249 41.057 40.800 0.014 0.000 0.913 309 D HN 0.170 nan 8.370 nan 0.000 0.523 310 L N 0.010 121.242 121.223 0.016 0.000 2.362 310 L HA 0.427 4.767 4.340 0.000 0.000 0.275 310 L C -1.342 175.538 176.870 0.017 0.000 0.998 310 L CA -0.014 54.839 54.840 0.020 0.000 0.820 310 L CB 2.068 44.142 42.059 0.026 0.000 1.270 310 L HN -0.346 nan 8.230 nan 0.000 0.415 311 S N 3.161 118.873 115.700 0.019 0.000 2.605 311 S HA 0.406 4.876 4.470 0.000 0.000 0.324 311 S C -0.211 174.401 174.600 0.020 0.000 0.978 311 S CA -0.078 58.132 58.200 0.016 0.000 0.864 311 S CB 1.424 64.632 63.200 0.014 0.000 1.095 311 S HN 0.861 nan 8.310 nan 0.000 0.460 312 A N 2.800 125.631 122.820 0.018 0.000 2.579 312 A HA 0.199 4.519 4.320 0.000 0.000 0.273 312 A C 1.506 179.101 177.584 0.019 0.000 1.363 312 A CA 0.052 52.101 52.037 0.021 0.000 0.953 312 A CB -0.207 18.806 19.000 0.023 0.000 1.034 312 A HN 0.741 nan 8.150 nan 0.000 0.536 313 Q N -0.425 119.386 119.800 0.017 0.000 2.252 313 Q HA -0.078 4.263 4.340 0.000 0.000 0.195 313 Q C 0.676 176.687 176.000 0.018 0.000 0.974 313 Q CA 1.130 56.942 55.803 0.015 0.000 0.846 313 Q CB -0.826 27.919 28.738 0.012 0.000 0.943 313 Q HN 0.385 nan 8.270 nan 0.000 0.516 314 D N 2.404 122.815 120.400 0.019 0.000 2.407 314 D HA -0.192 4.448 4.640 0.000 0.000 0.197 314 D C 1.039 177.357 176.300 0.030 0.000 1.024 314 D CA 1.808 55.821 54.000 0.022 0.000 0.924 314 D CB -0.469 40.344 40.800 0.022 0.000 0.888 314 D HN 0.341 nan 8.370 nan 0.000 0.456 315 L N -1.382 119.860 121.223 0.032 0.000 2.294 315 L HA 0.370 4.710 4.340 0.000 0.000 0.203 315 L C 0.985 177.881 176.870 0.045 0.000 1.150 315 L CA 0.282 55.148 54.840 0.042 0.000 0.847 315 L CB -0.476 41.616 42.059 0.055 0.000 1.231 315 L HN -0.083 nan 8.230 nan 0.000 0.568 316 G N -1.982 106.850 108.800 0.054 0.000 3.108 316 G HA2 0.523 4.483 3.960 0.000 0.000 0.268 316 G HA3 0.523 4.483 3.960 0.000 0.000 0.268 316 G C -1.798 173.133 174.900 0.052 0.000 1.361 316 G CA -0.194 44.939 45.100 0.056 0.000 1.047 316 G HN 0.835 nan 8.290 nan 0.000 0.540 317 D N -1.320 119.113 120.400 0.055 0.000 2.365 317 D HA 0.554 5.195 4.640 0.000 0.000 0.235 317 D C -0.534 175.798 176.300 0.054 0.000 1.368 317 D CA -0.134 53.897 54.000 0.050 0.000 1.001 317 D CB 1.152 41.976 40.800 0.040 0.000 1.364 317 D HN 0.602 nan 8.370 nan 0.000 0.577 318 A N 2.172 125.027 122.820 0.058 0.000 2.381 318 A HA 0.625 4.946 4.320 0.000 0.000 0.299 318 A C 0.987 178.604 177.584 0.056 0.000 1.049 318 A CA -0.427 51.645 52.037 0.060 0.000 0.715 318 A CB 1.608 20.655 19.000 0.078 0.000 1.222 318 A HN 0.570 nan 8.150 nan 0.000 0.428 319 G N 0.347 109.176 108.800 0.048 0.000 2.776 319 G HA2 0.384 4.345 3.960 0.000 0.000 0.209 319 G HA3 0.384 4.345 3.960 0.000 0.000 0.209 319 G C -0.088 174.836 174.900 0.040 0.000 1.145 319 G CA 0.784 45.908 45.100 0.040 0.000 0.791 319 G HN 0.751 nan 8.290 nan 0.000 0.530 320 L N -0.674 120.581 121.223 0.053 0.000 2.703 320 L HA 0.391 4.731 4.340 0.000 0.000 0.257 320 L C -1.335 175.587 176.870 0.086 0.000 0.923 320 L CA -0.566 54.306 54.840 0.054 0.000 0.936 320 L CB 2.274 44.357 42.059 0.041 0.000 1.482 320 L HN -0.144 nan 8.230 nan 0.000 0.432 321 V N 2.673 122.641 119.914 0.090 0.000 2.629 321 V HA 0.444 4.564 4.120 0.000 0.000 0.263 321 V C -0.488 175.668 176.094 0.104 0.000 0.959 321 V CA -0.571 61.805 62.300 0.128 0.000 0.869 321 V CB 1.406 33.316 31.823 0.146 0.000 1.060 321 V HN 0.732 nan 8.190 nan 0.000 0.474 322 E N 2.578 122.851 120.200 0.122 0.000 2.158 322 E HA 0.329 4.679 4.350 0.000 0.000 0.271 322 E C -0.181 176.514 176.600 0.158 0.000 0.911 322 E CA -0.562 55.894 56.400 0.093 0.000 0.767 322 E CB 1.445 31.157 29.700 0.020 0.000 1.120 322 E HN 0.710 nan 8.360 nan 0.000 0.405 323 E N 5.661 125.932 120.200 0.117 0.000 1.985 323 E HA 0.017 4.367 4.350 0.000 0.000 0.268 323 E C -0.697 175.976 176.600 0.122 0.000 1.219 323 E CA -0.036 56.446 56.400 0.136 0.000 0.942 323 E CB 0.271 30.017 29.700 0.075 0.000 1.045 323 E HN 0.366 nan 8.360 nan 0.000 0.413 324 R N 3.807 124.433 120.500 0.211 0.000 2.308 324 R HA 0.195 4.535 4.340 0.000 0.000 0.305 324 R C -0.117 176.282 176.300 0.165 0.000 1.053 324 R CA -0.305 55.876 56.100 0.136 0.000 0.957 324 R CB 1.030 31.304 30.300 -0.045 0.000 1.022 324 R HN 0.250 nan 8.270 nan 0.000 0.461 325 K N 3.504 123.955 120.400 0.086 0.000 2.263 325 K HA 0.231 4.551 4.320 0.000 0.000 0.282 325 K C -0.529 176.114 176.600 0.072 0.000 1.089 325 K CA -0.167 56.165 56.287 0.074 0.000 0.907 325 K CB 0.677 33.204 32.500 0.045 0.000 1.148 325 K HN 0.475 nan 8.250 nan 0.000 0.470 326 I N 3.157 123.783 120.570 0.094 0.000 2.371 326 I HA 0.047 4.217 4.170 0.000 0.000 0.282 326 I C 0.030 176.184 176.117 0.062 0.000 1.031 326 I CA 0.201 61.559 61.300 0.095 0.000 1.180 326 I CB 0.831 38.927 38.000 0.159 0.000 1.336 326 I HN 0.793 nan 8.210 nan 0.000 0.467 327 S N 5.221 120.948 115.700 0.044 0.000 3.641 327 S HA -0.175 4.295 4.470 0.000 0.000 0.346 327 S C 0.653 175.270 174.600 0.028 0.000 1.074 327 S CA 1.116 59.334 58.200 0.031 0.000 1.026 327 S CB -1.681 61.538 63.200 0.031 0.000 0.908 327 S HN 2.243 nan 8.310 nan 0.000 0.479 328 G N 0.197 109.015 108.800 0.029 0.000 2.520 328 G HA2 0.032 3.993 3.960 0.000 0.000 0.264 328 G HA3 0.032 3.993 3.960 0.000 0.000 0.264 328 G C -0.631 174.284 174.900 0.024 0.000 1.140 328 G CA 0.123 45.237 45.100 0.023 0.000 1.012 328 G HN 0.832 nan 8.290 nan 0.000 0.511 329 D N -0.874 119.546 120.400 0.033 0.000 2.474 329 D HA 0.227 4.868 4.640 0.000 0.000 0.199 329 D C -0.366 175.964 176.300 0.049 0.000 1.151 329 D CA -0.206 53.814 54.000 0.033 0.000 0.785 329 D CB 0.991 41.808 40.800 0.027 0.000 2.567 329 D HN 0.211 nan 8.370 nan 0.000 0.491 330 S N 2.058 117.785 115.700 0.046 0.000 2.525 330 S HA 0.681 5.151 4.470 0.000 0.000 0.278 330 S C 0.269 174.909 174.600 0.066 0.000 1.234 330 S CA -0.492 57.748 58.200 0.066 0.000 1.058 330 S CB 1.400 64.634 63.200 0.057 0.000 0.983 330 S HN 0.308 nan 8.310 nan 0.000 0.495 331 M N 2.351 122.008 119.600 0.096 0.000 2.572 331 M HA 0.522 5.002 4.480 0.000 0.000 0.299 331 M C -1.098 175.275 176.300 0.121 0.000 1.205 331 M CA -0.555 54.775 55.300 0.050 0.000 0.876 331 M CB 1.857 34.438 32.600 -0.032 0.000 1.728 331 M HN 0.458 nan 8.290 nan 0.000 0.458 332 I N 1.636 122.255 120.570 0.082 0.000 2.365 332 I HA 0.334 4.504 4.170 0.000 0.000 0.291 332 I C -1.105 175.058 176.117 0.076 0.000 1.004 332 I CA -0.226 61.177 61.300 0.172 0.000 1.311 332 I CB 0.700 38.859 38.000 0.266 0.000 1.401 332 I HN 0.422 nan 8.210 nan 0.000 0.491 333 F N 4.984 124.987 119.950 0.087 0.000 2.458 333 F HA 0.475 5.002 4.527 0.000 0.000 0.330 333 F C 0.345 176.188 175.800 0.071 0.000 1.082 333 F CA -0.546 57.489 58.000 0.058 0.000 0.995 333 F CB 1.805 40.829 39.000 0.039 0.000 1.170 333 F HN 0.006 nan 8.300 nan 0.000 0.478 334 V N 1.991 122.018 119.914 0.189 0.000 2.719 334 V HA 0.130 4.250 4.120 0.000 0.000 0.330 334 V C -0.208 175.936 176.094 0.084 0.000 1.224 334 V CA -0.683 61.685 62.300 0.113 0.000 1.314 334 V CB -0.242 31.594 31.823 0.021 0.000 1.416 334 V HN 0.762 nan 8.190 nan 0.000 0.651 335 E N 0.464 120.732 120.200 0.113 0.000 2.312 335 E HA 0.377 4.727 4.350 0.000 0.000 0.259 335 E C -0.230 176.407 176.600 0.061 0.000 1.122 335 E CA -0.414 56.038 56.400 0.087 0.000 0.922 335 E CB 0.747 30.509 29.700 0.104 0.000 1.109 335 E HN 0.173 nan 8.360 nan 0.000 0.442 336 E N -0.948 119.280 120.200 0.048 0.000 2.637 336 E HA -0.177 4.173 4.350 0.000 0.000 0.265 336 E C -0.366 176.256 176.600 0.037 0.000 1.073 336 E CA 0.835 57.257 56.400 0.037 0.000 0.778 336 E CB -2.617 27.103 29.700 0.032 0.000 1.362 336 E HN 0.637 nan 8.360 nan 0.000 0.413 337 C N 1.270 120.592 119.300 0.036 0.000 1.986 337 C HA -0.108 4.353 4.460 0.000 0.000 0.404 337 C C 2.163 177.178 174.990 0.042 0.000 1.551 337 C CA 0.328 59.367 59.018 0.034 0.000 1.457 337 C CB 0.020 27.770 27.740 0.017 0.000 2.639 337 C HN 0.342 nan 8.230 nan 0.000 0.590 338 K N 2.043 122.481 120.400 0.062 0.000 2.103 338 K HA -0.104 4.216 4.320 0.000 0.000 0.204 338 K C 1.286 177.965 176.600 0.131 0.000 1.052 338 K CA 1.568 57.902 56.287 0.079 0.000 0.945 338 K CB -0.054 32.492 32.500 0.077 0.000 0.722 338 K HN 0.973 nan 8.250 nan 0.000 0.443 339 H N 0.094 119.166 119.070 0.004 0.000 2.907 339 H HA 0.221 4.777 4.556 0.000 0.000 0.233 339 H C -2.455 172.872 175.328 -0.002 0.000 1.285 339 H CA -1.170 54.879 56.048 0.001 0.000 0.981 339 H CB 0.707 30.470 29.762 0.001 0.000 2.255 339 H HN -0.006 nan 8.280 nan 0.000 0.601 340 P HA -0.065 nan 4.420 nan 0.000 0.256 340 P C 0.710 177.861 177.300 -0.248 0.000 1.173 340 P CA 0.143 63.149 63.100 -0.157 0.000 0.768 340 P CB 0.803 32.461 31.700 -0.069 0.000 0.758 341 K N 2.773 122.979 120.400 -0.323 0.000 2.228 341 K HA 0.116 4.436 4.320 0.000 0.000 0.202 341 K C 0.719 177.249 176.600 -0.117 0.000 1.051 341 K CA 0.630 56.791 56.287 -0.210 0.000 0.960 341 K CB 0.176 32.545 32.500 -0.218 0.000 0.743 341 K HN 0.431 nan 8.250 nan 0.000 0.458 342 A N 1.973 124.728 122.820 -0.108 0.000 2.679 342 A HA 0.397 4.717 4.320 0.000 0.000 0.288 342 A C -1.226 176.314 177.584 -0.073 0.000 1.160 342 A CA -0.669 51.317 52.037 -0.084 0.000 0.763 342 A CB 1.347 20.299 19.000 -0.081 0.000 1.270 342 A HN 0.028 nan 8.150 nan 0.000 0.417 343 V N 2.435 122.316 119.914 -0.055 0.000 2.539 343 V HA 0.649 4.769 4.120 0.000 0.000 0.292 343 V C 0.411 176.479 176.094 -0.042 0.000 1.045 343 V CA 0.160 62.435 62.300 -0.043 0.000 0.945 343 V CB 1.917 33.722 31.823 -0.030 0.000 0.993 343 V HN 0.887 nan 8.190 nan 0.000 0.464 344 T N 7.146 121.675 114.554 -0.042 0.000 2.902 344 T HA 0.462 4.812 4.350 0.000 0.000 0.280 344 T C -0.299 174.387 174.700 -0.023 0.000 0.992 344 T CA -0.366 61.709 62.100 -0.043 0.000 1.015 344 T CB 1.082 69.912 68.868 -0.064 0.000 1.044 344 T HN 0.678 nan 8.240 nan 0.000 0.520 345 M N 3.192 122.778 119.600 -0.022 0.000 2.035 345 M HA 0.409 4.889 4.480 0.000 0.000 0.286 345 M C -0.905 175.392 176.300 -0.004 0.000 0.907 345 M CA -0.663 54.633 55.300 -0.006 0.000 0.935 345 M CB 0.778 33.374 32.600 -0.006 0.000 1.557 345 M HN 0.511 nan 8.290 nan 0.000 0.426 346 L N 6.244 127.477 121.223 0.016 0.000 2.485 346 L HA 0.310 4.650 4.340 0.000 0.000 0.275 346 L C -1.191 175.695 176.870 0.028 0.000 1.207 346 L CA 0.190 55.046 54.840 0.027 0.000 0.855 346 L CB 0.462 42.567 42.059 0.075 0.000 1.114 346 L HN 0.754 nan 8.230 nan 0.000 0.485 347 I N 4.040 124.624 120.570 0.022 0.000 2.464 347 I HA 0.428 4.598 4.170 0.000 0.000 0.277 347 I C -0.289 175.844 176.117 0.027 0.000 1.040 347 I CA -0.604 60.709 61.300 0.021 0.000 1.153 347 I CB 0.903 38.910 38.000 0.013 0.000 1.274 347 I HN 0.453 nan 8.210 nan 0.000 0.469 348 R N 4.286 124.804 120.500 0.030 0.000 2.457 348 R HA 0.922 5.262 4.340 0.000 0.000 0.284 348 R C 0.156 176.471 176.300 0.025 0.000 1.024 348 R CA -0.830 55.289 56.100 0.031 0.000 1.025 348 R CB 1.705 32.028 30.300 0.038 0.000 1.063 348 R HN 0.889 nan 8.270 nan 0.000 0.493 349 G N -0.526 108.289 108.800 0.025 0.000 2.328 349 G HA2 0.279 4.239 3.960 0.000 0.000 0.299 349 G HA3 0.279 4.239 3.960 0.000 0.000 0.299 349 G C -0.177 174.737 174.900 0.023 0.000 1.435 349 G CA 0.303 45.417 45.100 0.023 0.000 0.865 349 G HN 0.877 nan 8.290 nan 0.000 0.601 350 T N -2.168 112.400 114.554 0.022 0.000 14.164 350 T HA -0.174 4.177 4.350 0.000 0.000 0.419 350 T C 0.998 175.712 174.700 0.022 0.000 1.441 350 T CA 2.454 64.569 62.100 0.025 0.000 2.332 350 T CB -1.609 67.273 68.868 0.024 0.000 2.758 350 T HN 2.324 nan 8.240 nan 0.000 0.250 351 T N 0.468 115.039 114.554 0.028 0.000 2.819 351 T HA 0.553 4.903 4.350 0.000 0.000 0.271 351 T C 1.515 176.237 174.700 0.036 0.000 0.986 351 T CA 0.360 62.471 62.100 0.019 0.000 0.989 351 T CB 1.139 70.004 68.868 -0.007 0.000 1.396 351 T HN 0.683 nan 8.240 nan 0.000 0.597 352 E N -0.012 120.202 120.200 0.022 0.000 2.208 352 E HA -0.277 4.073 4.350 0.000 0.000 0.202 352 E C 1.658 178.323 176.600 0.108 0.000 1.014 352 E CA 1.686 58.109 56.400 0.039 0.000 0.819 352 E CB -0.315 29.389 29.700 0.007 0.000 0.735 352 E HN 0.660 nan 8.360 nan 0.000 0.469 353 H N 0.321 119.393 119.070 0.002 0.000 2.299 353 H HA -0.058 4.498 4.556 0.000 0.000 0.302 353 H C 2.316 177.645 175.328 0.002 0.000 1.078 353 H CA 1.244 57.293 56.048 0.002 0.000 1.323 353 H CB 0.297 30.061 29.762 0.002 0.000 1.381 353 H HN -0.007 nan 8.280 nan 0.000 0.498 354 V N 1.172 121.152 119.914 0.111 0.000 2.867 354 V HA -0.215 3.905 4.120 0.000 0.000 0.260 354 V C 2.060 178.177 176.094 0.039 0.000 1.099 354 V CA 1.291 63.624 62.300 0.054 0.000 1.122 354 V CB -0.652 31.194 31.823 0.038 0.000 0.708 354 V HN 0.360 nan 8.190 nan 0.000 0.490 355 I N 0.600 121.198 120.570 0.046 0.000 2.296 355 I HA -0.117 4.053 4.170 0.000 0.000 0.242 355 I C 2.509 178.639 176.117 0.023 0.000 1.087 355 I CA 1.121 62.440 61.300 0.030 0.000 1.393 355 I CB -0.630 37.386 38.000 0.026 0.000 1.093 355 I HN 0.233 nan 8.210 nan 0.000 0.421 356 E N 1.430 121.651 120.200 0.035 0.000 2.147 356 E HA -0.338 4.012 4.350 0.000 0.000 0.199 356 E C 1.906 178.508 176.600 0.003 0.000 1.005 356 E CA 1.878 58.294 56.400 0.027 0.000 0.810 356 E CB -0.416 29.308 29.700 0.039 0.000 0.736 356 E HN 0.569 nan 8.360 nan 0.000 0.460 357 E N 1.183 121.381 120.200 -0.004 0.000 2.150 357 E HA -0.127 4.223 4.350 0.000 0.000 0.193 357 E C 1.742 178.336 176.600 -0.009 0.000 0.985 357 E CA 1.115 57.503 56.400 -0.019 0.000 0.814 357 E CB 0.125 29.808 29.700 -0.028 0.000 0.752 357 E HN 0.179 nan 8.360 nan 0.000 0.466 358 V N 0.381 120.295 119.914 0.000 0.000 3.461 358 V HA 0.145 4.265 4.120 0.000 0.000 0.267 358 V C 2.059 178.152 176.094 -0.002 0.000 1.186 358 V CA 0.975 63.276 62.300 0.001 0.000 1.154 358 V CB -0.225 31.602 31.823 0.005 0.000 0.802 358 V HN 0.427 nan 8.190 nan 0.000 0.474 359 A N 0.413 123.231 122.820 -0.003 0.000 2.030 359 A HA 0.027 4.347 4.320 0.000 0.000 0.215 359 A C 2.400 179.978 177.584 -0.010 0.000 1.164 359 A CA 0.784 52.817 52.037 -0.006 0.000 0.697 359 A CB -0.190 18.806 19.000 -0.006 0.000 0.827 359 A HN 0.446 nan 8.150 nan 0.000 0.457 360 R N -0.763 119.729 120.500 -0.012 0.000 2.173 360 R HA 0.181 4.522 4.340 0.000 0.000 0.208 360 R C 2.308 178.601 176.300 -0.012 0.000 1.035 360 R CA 0.809 56.900 56.100 -0.014 0.000 1.004 360 R CB -0.196 30.092 30.300 -0.021 0.000 0.917 360 R HN 0.444 nan 8.270 nan 0.000 0.462 361 A N 0.524 123.338 122.820 -0.010 0.000 1.972 361 A HA -0.105 4.215 4.320 0.000 0.000 0.219 361 A C 2.142 179.723 177.584 -0.005 0.000 1.169 361 A CA 1.166 53.199 52.037 -0.006 0.000 0.635 361 A CB -0.422 18.576 19.000 -0.003 0.000 0.810 361 A HN 0.188 nan 8.150 nan 0.000 0.446 362 V N -0.214 119.697 119.914 -0.006 0.000 2.488 362 V HA -0.142 3.979 4.120 0.000 0.000 0.246 362 V C 2.022 178.111 176.094 -0.009 0.000 1.046 362 V CA 2.419 64.715 62.300 -0.007 0.000 1.053 362 V CB -0.430 31.389 31.823 -0.007 0.000 0.679 362 V HN 0.509 nan 8.190 nan 0.000 0.458 363 D N 0.202 120.596 120.400 -0.010 0.000 2.084 363 D HA -0.149 4.491 4.640 0.000 0.000 0.196 363 D C 1.925 178.219 176.300 -0.010 0.000 0.985 363 D CA 1.691 55.684 54.000 -0.011 0.000 0.826 363 D CB -0.359 40.434 40.800 -0.012 0.000 0.978 363 D HN 0.556 nan 8.370 nan 0.000 0.456 364 D N 0.620 121.014 120.400 -0.009 0.000 2.172 364 D HA -0.186 4.454 4.640 0.000 0.000 0.196 364 D C 1.671 177.967 176.300 -0.006 0.000 0.999 364 D CA 1.317 55.312 54.000 -0.008 0.000 0.856 364 D CB -0.047 40.748 40.800 -0.008 0.000 0.934 364 D HN 0.191 nan 8.370 nan 0.000 0.453 365 A N 0.837 123.653 122.820 -0.006 0.000 2.169 365 A HA 0.045 4.365 4.320 0.000 0.000 0.212 365 A C 2.189 179.770 177.584 -0.005 0.000 1.153 365 A CA 0.321 52.356 52.037 -0.004 0.000 0.756 365 A CB -0.073 18.925 19.000 -0.003 0.000 0.813 365 A HN 0.202 nan 8.150 nan 0.000 0.471 366 V N -0.640 119.270 119.914 -0.007 0.000 3.235 366 V HA 0.156 4.276 4.120 0.000 0.000 0.259 366 V C 1.713 177.803 176.094 -0.007 0.000 1.133 366 V CA 1.541 63.836 62.300 -0.008 0.000 1.128 366 V CB -0.490 31.327 31.823 -0.010 0.000 0.757 366 V HN 0.415 nan 8.190 nan 0.000 0.469 367 G N 0.208 109.003 108.800 -0.007 0.000 2.630 367 G HA2 0.106 4.066 3.960 0.000 0.000 0.195 367 G HA3 0.106 4.066 3.960 0.000 0.000 0.195 367 G C 1.364 176.261 174.900 -0.005 0.000 1.493 367 G CA 2.539 47.635 45.100 -0.006 0.000 0.890 367 G HN 1.392 nan 8.290 nan 0.000 0.475 368 V N -0.753 119.159 119.914 -0.004 0.000 0.685 368 V HA -0.410 3.710 4.120 0.000 0.000 0.092 368 V C 2.104 178.197 176.094 -0.001 0.000 0.876 368 V CA 4.161 66.460 62.300 -0.002 0.000 3.117 368 V CB -1.916 29.906 31.823 -0.002 0.000 0.247 368 V HN 1.558 nan 8.190 nan 0.000 0.190 369 V N 1.493 121.406 119.914 -0.002 0.000 2.255 369 V HA -0.361 3.759 4.120 0.000 0.000 0.258 369 V C 2.499 178.592 176.094 -0.002 0.000 1.069 369 V CA 4.486 66.785 62.300 -0.002 0.000 1.082 369 V CB -1.381 30.442 31.823 -0.001 0.000 0.707 369 V HN 1.945 nan 8.190 nan 0.000 0.466 370 G N -3.160 105.638 108.800 -0.003 0.000 2.956 370 G HA2 -0.112 3.849 3.960 0.000 0.000 0.207 370 G HA3 -0.112 3.849 3.960 0.000 0.000 0.207 370 G C 1.276 176.175 174.900 -0.003 0.000 1.162 370 G CA 0.731 45.829 45.100 -0.003 0.000 0.796 370 G HN 0.633 nan 8.290 nan 0.000 0.527 371 C N -0.423 118.876 119.300 -0.002 0.000 2.518 371 C HA 0.073 4.533 4.460 0.000 0.000 0.283 371 C C 3.262 178.252 174.990 -0.000 0.000 1.351 371 C CA 1.289 60.306 59.018 -0.001 0.000 1.745 371 C CB -0.261 27.478 27.740 -0.001 0.000 2.107 371 C HN 0.583 nan 8.230 nan 0.000 0.502 372 T N -0.530 114.024 114.554 0.000 0.000 3.035 372 T HA -0.002 4.349 4.350 0.000 0.000 0.268 372 T C 1.631 176.332 174.700 0.001 0.000 1.109 372 T CA 1.092 63.193 62.100 0.001 0.000 1.119 372 T CB -0.408 68.461 68.868 0.002 0.000 0.900 372 T HN 0.464 nan 8.240 nan 0.000 0.503 373 I N 1.000 121.570 120.570 0.000 0.000 2.142 373 I HA -0.074 4.096 4.170 0.000 0.000 0.240 373 I C 2.347 178.464 176.117 0.000 0.000 1.078 373 I CA 1.673 62.973 61.300 0.000 0.000 1.343 373 I CB -0.317 37.683 38.000 -0.001 0.000 1.046 373 I HN 0.420 nan 8.210 nan 0.000 0.405 374 E N -0.457 119.742 120.200 -0.000 0.000 2.463 374 E HA 0.041 4.392 4.350 0.000 0.000 0.193 374 E C -0.356 176.244 176.600 0.000 0.000 1.041 374 E CA 0.018 56.418 56.400 -0.000 0.000 0.879 374 E CB 0.566 30.266 29.700 -0.001 0.000 0.997 374 E HN 0.246 nan 8.360 nan 0.000 0.478 375 D N -1.239 119.162 120.400 0.001 0.000 2.726 375 D HA 0.054 4.695 4.640 0.000 0.000 0.203 375 D C 0.375 176.676 176.300 0.002 0.000 1.297 375 D CA -0.176 53.825 54.000 0.001 0.000 0.863 375 D CB 1.499 42.299 40.800 0.001 0.000 1.669 375 D HN 0.109 nan 8.370 nan 0.000 0.561 376 G N 2.475 111.276 108.800 0.002 0.000 2.534 376 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 376 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 376 G C 0.925 175.827 174.900 0.003 0.000 1.128 376 G CA 0.283 45.385 45.100 0.003 0.000 0.784 376 G HN 0.274 nan 8.290 nan 0.000 0.542 377 R N 0.574 121.076 120.500 0.004 0.000 2.491 377 R HA 0.398 4.738 4.340 0.000 0.000 0.283 377 R C 0.494 176.798 176.300 0.006 0.000 1.072 377 R CA -0.183 55.920 56.100 0.006 0.000 1.048 377 R CB 0.547 30.850 30.300 0.006 0.000 0.983 377 R HN 0.364 nan 8.270 nan 0.000 0.450 378 I N -0.171 120.403 120.570 0.007 0.000 2.498 378 I HA 0.620 4.790 4.170 0.000 0.000 0.301 378 I C -0.827 175.298 176.117 0.013 0.000 0.984 378 I CA -0.969 60.336 61.300 0.009 0.000 1.204 378 I CB 1.984 39.989 38.000 0.008 0.000 1.362 378 I HN 0.261 nan 8.210 nan 0.000 0.471 379 V N 5.172 125.096 119.914 0.015 0.000 2.509 379 V HA 0.209 4.330 4.120 0.000 0.000 0.289 379 V C 0.337 176.447 176.094 0.026 0.000 1.026 379 V CA -0.310 62.004 62.300 0.023 0.000 0.872 379 V CB 1.763 33.603 31.823 0.028 0.000 1.017 379 V HN 1.068 nan 8.190 nan 0.000 0.436 380 S N 3.741 119.460 115.700 0.033 0.000 3.449 380 S HA -0.153 4.317 4.470 0.000 0.000 0.195 380 S C 0.965 175.588 174.600 0.038 0.000 0.539 380 S CA 0.548 58.774 58.200 0.044 0.000 1.393 380 S CB -1.520 61.731 63.200 0.086 0.000 1.019 380 S HN 1.798 nan 8.310 nan 0.000 0.333 381 G N 1.617 110.431 108.800 0.024 0.000 2.945 381 G HA2 0.391 4.351 3.960 0.000 0.000 0.248 381 G HA3 0.391 4.351 3.960 0.000 0.000 0.248 381 G C 1.195 176.105 174.900 0.016 0.000 1.250 381 G CA -0.158 44.951 45.100 0.016 0.000 0.886 381 G HN 2.047 nan 8.290 nan 0.000 0.609 382 G N -1.438 107.363 108.800 0.002 0.000 2.483 382 G HA2 0.267 4.227 3.960 0.000 0.000 0.309 382 G HA3 0.267 4.227 3.960 0.000 0.000 0.309 382 G C 1.244 176.149 174.900 0.008 0.000 0.908 382 G CA 1.451 46.546 45.100 -0.008 0.000 0.943 382 G HN 2.579 nan 8.290 nan 0.000 0.511 383 G N -2.344 106.469 108.800 0.022 0.000 2.600 383 G HA2 0.053 4.014 3.960 0.000 0.000 0.251 383 G HA3 0.053 4.014 3.960 0.000 0.000 0.251 383 G C 0.702 175.645 174.900 0.072 0.000 1.142 383 G CA 0.523 45.637 45.100 0.023 0.000 0.994 383 G HN 1.097 nan 8.290 nan 0.000 0.511 384 S N -0.888 114.888 115.700 0.127 0.000 2.460 384 S HA 0.032 4.502 4.470 0.000 0.000 0.226 384 S C 2.626 177.261 174.600 0.058 0.000 1.057 384 S CA 1.529 59.920 58.200 0.319 0.000 0.948 384 S CB -0.074 63.368 63.200 0.404 0.000 0.822 384 S HN 0.705 nan 8.310 nan 0.000 0.512 385 T N 3.202 117.771 114.554 0.026 0.000 2.649 385 T HA -0.194 4.156 4.350 0.000 0.000 0.268 385 T C 1.696 176.340 174.700 -0.093 0.000 1.036 385 T CA 1.781 63.859 62.100 -0.038 0.000 1.157 385 T CB -0.375 68.491 68.868 -0.004 0.000 0.861 385 T HN 0.525 nan 8.240 nan 0.000 0.445 386 E N 1.211 121.367 120.200 -0.073 0.000 2.042 386 E HA -0.008 4.342 4.350 0.000 0.000 0.189 386 E C 2.689 179.242 176.600 -0.079 0.000 0.974 386 E CA 1.120 57.484 56.400 -0.059 0.000 0.806 386 E CB -1.021 28.659 29.700 -0.035 0.000 0.769 386 E HN 0.591 nan 8.360 nan 0.000 0.451 387 V N 0.269 120.125 119.914 -0.097 0.000 3.078 387 V HA -0.130 3.990 4.120 0.000 0.000 0.265 387 V C 2.138 178.128 176.094 -0.174 0.000 1.122 387 V CA 2.023 64.265 62.300 -0.098 0.000 1.141 387 V CB -0.564 31.227 31.823 -0.054 0.000 0.735 387 V HN 0.135 nan 8.190 nan 0.000 0.498 388 E N 0.805 120.822 120.200 -0.304 0.000 2.075 388 E HA 0.002 4.352 4.350 0.000 0.000 0.190 388 E C 1.987 178.486 176.600 -0.167 0.000 0.969 388 E CA 0.954 57.139 56.400 -0.359 0.000 0.815 388 E CB -0.454 28.825 29.700 -0.703 0.000 0.776 388 E HN 0.528 nan 8.360 nan 0.000 0.457 389 L N 0.984 122.130 121.223 -0.129 0.000 2.064 389 L HA -0.301 4.039 4.340 0.000 0.000 0.216 389 L C 2.682 179.524 176.870 -0.047 0.000 1.077 389 L CA 1.698 56.494 54.840 -0.073 0.000 0.766 389 L CB -0.800 41.234 42.059 -0.042 0.000 0.890 389 L HN 0.289 nan 8.230 nan 0.000 0.435 390 S N 0.904 116.574 115.700 -0.049 0.000 2.378 390 S HA -0.279 4.191 4.470 0.000 0.000 0.221 390 S C 1.895 176.491 174.600 -0.006 0.000 1.037 390 S CA 2.187 60.377 58.200 -0.018 0.000 1.069 390 S CB -0.268 62.915 63.200 -0.030 0.000 1.006 390 S HN 0.491 nan 8.310 nan 0.000 0.423 391 M N -0.215 119.373 119.600 -0.020 0.000 2.659 391 M HA 0.279 4.759 4.480 0.000 0.000 0.243 391 M C 1.907 178.214 176.300 0.011 0.000 1.111 391 M CA 1.028 56.328 55.300 0.000 0.000 1.070 391 M CB -0.161 32.438 32.600 -0.002 0.000 1.525 391 M HN 0.159 nan 8.290 nan 0.000 0.517 392 K N 1.509 121.911 120.400 0.003 0.000 2.099 392 K HA 0.143 4.463 4.320 0.000 0.000 0.203 392 K C 1.670 178.304 176.600 0.056 0.000 1.047 392 K CA 0.849 57.148 56.287 0.019 0.000 0.963 392 K CB 0.091 32.584 32.500 -0.011 0.000 0.759 392 K HN 0.352 nan 8.250 nan 0.000 0.451 393 L N 0.286 121.531 121.223 0.036 0.000 2.341 393 L HA 0.053 4.393 4.340 0.000 0.000 0.214 393 L C 2.423 179.377 176.870 0.140 0.000 1.115 393 L CA 0.588 55.463 54.840 0.059 0.000 0.820 393 L CB -0.256 41.766 42.059 -0.061 0.000 0.944 393 L HN 0.097 nan 8.230 nan 0.000 0.452 394 R N 0.776 121.331 120.500 0.091 0.000 2.057 394 R HA -0.114 4.226 4.340 0.000 0.000 0.229 394 R C 2.036 178.387 176.300 0.085 0.000 1.136 394 R CA 1.322 57.473 56.100 0.084 0.000 0.952 394 R CB -0.149 30.182 30.300 0.052 0.000 0.848 394 R HN 0.279 nan 8.270 nan 0.000 0.430 395 E N -0.124 120.122 120.200 0.076 0.000 2.204 395 E HA -0.240 4.110 4.350 0.000 0.000 0.195 395 E C 1.667 178.314 176.600 0.078 0.000 0.990 395 E CA 1.034 57.471 56.400 0.061 0.000 0.821 395 E CB -0.274 29.455 29.700 0.049 0.000 0.750 395 E HN 0.504 nan 8.360 nan 0.000 0.477 396 Y N 1.626 121.925 120.300 -0.001 0.000 2.333 396 Y HA -0.201 4.349 4.550 0.000 0.000 0.290 396 Y C 2.238 178.137 175.900 -0.002 0.000 1.144 396 Y CA 1.254 59.351 58.100 -0.005 0.000 1.228 396 Y CB -0.118 38.335 38.460 -0.011 0.000 0.985 396 Y HN -0.003 nan 8.280 nan 0.000 0.542 397 A N 0.162 123.001 122.820 0.033 0.000 1.897 397 A HA -0.135 4.185 4.320 0.000 0.000 0.215 397 A C 1.907 179.443 177.584 -0.081 0.000 1.181 397 A CA 1.512 53.544 52.037 -0.009 0.000 0.620 397 A CB -0.559 18.490 19.000 0.082 0.000 0.821 397 A HN 0.544 nan 8.150 nan 0.000 0.443 398 E N -0.723 119.444 120.200 -0.055 0.000 2.438 398 E HA 0.127 4.478 4.350 0.000 0.000 0.192 398 E C 1.047 177.593 176.600 -0.090 0.000 1.110 398 E CA 0.262 56.631 56.400 -0.053 0.000 0.893 398 E CB -0.081 29.604 29.700 -0.025 0.000 0.990 398 E HN 0.566 nan 8.360 nan 0.000 0.490 399 G N -0.011 108.690 108.800 -0.165 0.000 3.528 399 G HA2 0.074 4.034 3.960 0.000 0.000 0.266 399 G HA3 0.074 4.034 3.960 0.000 0.000 0.266 399 G C 1.123 175.864 174.900 -0.265 0.000 1.004 399 G CA -0.175 44.807 45.100 -0.197 0.000 0.853 399 G HN 0.232 nan 8.290 nan 0.000 0.501 400 I N -0.618 119.778 120.570 -0.290 0.000 2.188 400 I HA 0.227 4.398 4.170 0.000 0.000 0.237 400 I C 0.941 176.992 176.117 -0.110 0.000 1.073 400 I CA 0.687 61.861 61.300 -0.210 0.000 1.359 400 I CB -0.833 37.043 38.000 -0.206 0.000 1.083 400 I HN 0.205 nan 8.210 nan 0.000 0.412 401 S N 0.246 115.900 115.700 -0.076 0.000 2.913 401 S HA 0.206 4.676 4.470 0.000 0.000 0.856 401 S C 0.179 174.758 174.600 -0.035 0.000 0.913 401 S CA -0.141 58.029 58.200 -0.049 0.000 1.428 401 S CB -1.977 61.201 63.200 -0.037 0.000 1.022 401 S HN 2.253 nan 8.310 nan 0.000 0.260 402 G N 4.676 113.461 108.800 -0.024 0.000 2.498 402 G HA2 -0.226 3.735 3.960 0.000 0.000 0.251 402 G HA3 -0.226 3.735 3.960 0.000 0.000 0.251 402 G C 0.529 175.421 174.900 -0.015 0.000 1.170 402 G CA 1.464 46.554 45.100 -0.017 0.000 0.944 402 G HN 2.193 nan 8.290 nan 0.000 0.567 403 R N 0.138 120.627 120.500 -0.018 0.000 2.179 403 R HA -0.171 4.170 4.340 0.000 0.000 0.238 403 R C 2.006 178.288 176.300 -0.031 0.000 1.119 403 R CA 2.852 58.937 56.100 -0.025 0.000 0.915 403 R CB -1.088 29.202 30.300 -0.017 0.000 0.870 403 R HN 0.546 nan 8.270 nan 0.000 0.432 404 E N 0.573 120.751 120.200 -0.036 0.000 2.331 404 E HA -0.229 4.122 4.350 0.000 0.000 0.199 404 E C 1.986 178.591 176.600 0.010 0.000 1.008 404 E CA 1.495 57.875 56.400 -0.034 0.000 0.843 404 E CB -0.223 29.459 29.700 -0.031 0.000 0.761 404 E HN 0.680 nan 8.360 nan 0.000 0.507 405 Q N 0.447 120.252 119.800 0.009 0.000 2.020 405 Q HA -0.175 4.166 4.340 0.000 0.000 0.202 405 Q C 1.506 177.545 176.000 0.065 0.000 0.982 405 Q CA 1.432 57.249 55.803 0.024 0.000 0.838 405 Q CB -0.039 28.705 28.738 0.010 0.000 0.899 405 Q HN 0.380 nan 8.270 nan 0.000 0.423 406 L N 0.025 121.283 121.223 0.059 0.000 2.558 406 L HA 0.223 4.564 4.340 0.000 0.000 0.225 406 L C 2.061 179.036 176.870 0.175 0.000 1.128 406 L CA 0.517 55.411 54.840 0.090 0.000 0.868 406 L CB -0.181 41.910 42.059 0.053 0.000 1.006 406 L HN 0.216 nan 8.230 nan 0.000 0.454 407 A N 0.573 123.505 122.820 0.186 0.000 1.850 407 A HA -0.050 4.270 4.320 0.000 0.000 0.212 407 A C 2.348 180.361 177.584 0.715 0.000 1.208 407 A CA 1.298 53.612 52.037 0.461 0.000 0.609 407 A CB -0.900 17.949 19.000 -0.252 0.000 0.860 407 A HN 0.177 nan 8.150 nan 0.000 0.448 408 V N -0.736 119.388 119.914 0.350 0.000 2.392 408 V HA -0.273 3.847 4.120 0.000 0.000 0.249 408 V C 2.141 178.366 176.094 0.219 0.000 1.059 408 V CA 2.239 64.697 62.300 0.263 0.000 1.051 408 V CB -1.043 30.934 31.823 0.257 0.000 0.658 408 V HN 0.512 nan 8.190 nan 0.000 0.455 409 R N 0.888 121.503 120.500 0.193 0.000 2.127 409 R HA 0.005 4.346 4.340 0.000 0.000 0.219 409 R C 2.686 179.057 176.300 0.118 0.000 1.133 409 R CA 1.803 57.983 56.100 0.134 0.000 0.890 409 R CB -1.270 29.094 30.300 0.107 0.000 0.804 409 R HN 0.560 nan 8.270 nan 0.000 0.443 410 A N 0.628 123.517 122.820 0.114 0.000 1.980 410 A HA -0.300 4.020 4.320 0.000 0.000 0.244 410 A C 1.783 179.369 177.584 0.002 0.000 1.993 410 A CA 2.459 54.539 52.037 0.071 0.000 0.750 410 A CB -0.963 18.116 19.000 0.132 0.000 0.833 410 A HN 0.546 nan 8.150 nan 0.000 0.555 411 F N -1.102 118.773 119.950 -0.126 0.000 2.695 411 F HA 0.577 5.105 4.527 0.001 0.000 0.303 411 F C 1.877 177.620 175.800 -0.096 0.000 1.091 411 F CA -0.006 57.876 58.000 -0.197 0.000 1.300 411 F CB -0.281 38.554 39.000 -0.275 0.000 1.071 411 F HN 0.287 nan 8.300 nan 0.000 0.578 412 A N -0.355 122.562 122.820 0.162 0.000 1.881 412 A HA 0.016 4.337 4.320 0.000 0.000 0.210 412 A C 1.987 179.592 177.584 0.036 0.000 1.239 412 A CA 1.096 53.190 52.037 0.095 0.000 0.629 412 A CB -0.807 18.237 19.000 0.074 0.000 0.906 412 A HN 0.180 nan 8.150 nan 0.000 0.460 413 D N 0.358 120.774 120.400 0.027 0.000 2.190 413 D HA -0.108 4.533 4.640 0.000 0.000 0.200 413 D C 2.003 178.281 176.300 -0.037 0.000 0.992 413 D CA 1.454 55.452 54.000 -0.003 0.000 0.854 413 D CB -0.112 40.691 40.800 0.004 0.000 0.936 413 D HN 0.389 nan 8.370 nan 0.000 0.462 414 A N -0.008 122.771 122.820 -0.069 0.000 1.970 414 A HA -0.018 4.302 4.320 0.000 0.000 0.216 414 A C 2.320 179.825 177.584 -0.132 0.000 1.170 414 A CA 0.268 52.225 52.037 -0.132 0.000 0.645 414 A CB -0.524 18.348 19.000 -0.214 0.000 0.816 414 A HN 0.241 nan 8.150 nan 0.000 0.447 415 L N -0.068 121.101 121.223 -0.091 0.000 2.211 415 L HA -0.281 4.059 4.340 0.000 0.000 0.216 415 L C 2.456 179.297 176.870 -0.048 0.000 1.092 415 L CA 1.525 56.333 54.840 -0.053 0.000 0.767 415 L CB -0.724 41.334 42.059 -0.002 0.000 0.894 415 L HN 0.413 nan 8.230 nan 0.000 0.437 416 E N 0.017 120.191 120.200 -0.043 0.000 2.005 416 E HA -0.268 4.082 4.350 0.000 0.000 0.198 416 E C 2.272 178.846 176.600 -0.043 0.000 1.010 416 E CA 1.685 58.063 56.400 -0.037 0.000 0.825 416 E CB -0.710 28.971 29.700 -0.031 0.000 0.769 416 E HN 0.301 nan 8.360 nan 0.000 0.456 417 V N 1.601 121.484 119.914 -0.052 0.000 2.285 417 V HA -0.361 3.759 4.120 0.000 0.000 0.259 417 V C 2.246 178.310 176.094 -0.051 0.000 1.088 417 V CA 2.486 64.753 62.300 -0.055 0.000 1.098 417 V CB -0.439 31.348 31.823 -0.060 0.000 0.738 417 V HN 0.204 nan 8.190 nan 0.000 0.461 418 I N 0.382 120.920 120.570 -0.054 0.000 2.142 418 I HA -0.067 4.104 4.170 0.000 0.000 0.240 418 I C -0.044 176.048 176.117 -0.041 0.000 1.078 418 I CA 1.752 63.023 61.300 -0.048 0.000 1.343 418 I CB -2.428 35.544 38.000 -0.047 0.000 1.046 418 I HN 0.366 nan 8.210 nan 0.000 0.405 419 P HA -0.182 nan 4.420 nan 0.000 0.218 419 P C 1.828 179.108 177.300 -0.032 0.000 1.146 419 P CA 1.511 64.593 63.100 -0.031 0.000 0.813 419 P CB 0.014 31.700 31.700 -0.024 0.000 0.778 420 R N -0.031 120.449 120.500 -0.033 0.000 2.060 420 R HA -0.078 4.262 4.340 0.000 0.000 0.225 420 R C 2.323 178.602 176.300 -0.034 0.000 1.155 420 R CA 2.451 58.532 56.100 -0.031 0.000 0.930 420 R CB -1.271 29.010 30.300 -0.031 0.000 0.829 420 R HN 0.152 nan 8.270 nan 0.000 0.433 421 T N 0.103 114.635 114.554 -0.037 0.000 2.897 421 T HA -0.134 4.217 4.350 0.000 0.000 0.271 421 T C 1.913 176.589 174.700 -0.041 0.000 1.084 421 T CA 1.359 63.437 62.100 -0.037 0.000 1.123 421 T CB -0.470 68.376 68.868 -0.037 0.000 0.865 421 T HN 0.189 nan 8.240 nan 0.000 0.496 422 L N 0.828 122.023 121.223 -0.046 0.000 2.079 422 L HA -0.059 4.281 4.340 0.000 0.000 0.210 422 L C 3.309 180.142 176.870 -0.063 0.000 1.081 422 L CA 1.388 56.194 54.840 -0.056 0.000 0.752 422 L CB -0.976 41.047 42.059 -0.060 0.000 0.896 422 L HN 0.388 nan 8.230 nan 0.000 0.433 423 A N -0.048 122.741 122.820 -0.052 0.000 1.873 423 A HA -0.228 4.093 4.320 0.000 0.000 0.215 423 A C 2.257 179.817 177.584 -0.041 0.000 1.186 423 A CA 1.693 53.701 52.037 -0.048 0.000 0.616 423 A CB -0.449 18.530 19.000 -0.035 0.000 0.823 423 A HN 0.409 nan 8.150 nan 0.000 0.442 424 E N 0.151 120.330 120.200 -0.035 0.000 2.072 424 E HA -0.177 4.174 4.350 0.000 0.000 0.191 424 E C 1.771 178.354 176.600 -0.028 0.000 0.985 424 E CA 1.195 57.579 56.400 -0.028 0.000 0.801 424 E CB -0.104 29.581 29.700 -0.026 0.000 0.750 424 E HN 0.622 nan 8.360 nan 0.000 0.452 425 N N 0.600 119.279 118.700 -0.034 0.000 2.137 425 N HA -0.203 4.538 4.740 0.000 0.000 0.190 425 N C 1.662 177.152 175.510 -0.033 0.000 1.017 425 N CA 1.285 54.315 53.050 -0.033 0.000 0.859 425 N CB -0.315 38.150 38.487 -0.036 0.000 1.002 425 N HN 0.153 nan 8.380 nan 0.000 0.428 426 A N 0.193 122.986 122.820 -0.045 0.000 2.172 426 A HA 0.243 4.563 4.320 0.000 0.000 0.216 426 A C 1.827 179.396 177.584 -0.026 0.000 1.154 426 A CA 1.636 53.645 52.037 -0.047 0.000 0.701 426 A CB -0.434 18.523 19.000 -0.072 0.000 0.789 426 A HN 0.456 nan 8.150 nan 0.000 0.465 427 G N -1.426 107.361 108.800 -0.021 0.000 2.611 427 G HA2 -0.218 3.742 3.960 0.000 0.000 0.208 427 G HA3 -0.218 3.742 3.960 0.000 0.000 0.208 427 G C 0.383 175.274 174.900 -0.014 0.000 1.201 427 G CA 0.005 45.097 45.100 -0.014 0.000 0.739 427 G HN 0.447 nan 8.290 nan 0.000 0.528 428 L N 1.079 122.292 121.223 -0.017 0.000 2.464 428 L HA 0.484 4.824 4.340 0.000 0.000 0.224 428 L C 0.555 177.417 176.870 -0.013 0.000 1.219 428 L CA -0.460 54.372 54.840 -0.013 0.000 0.831 428 L CB 0.075 42.126 42.059 -0.014 0.000 1.284 428 L HN 0.204 nan 8.230 nan 0.000 0.522 429 D N -0.668 119.726 120.400 -0.010 0.000 2.312 429 D HA 0.261 4.901 4.640 0.000 0.000 0.252 429 D C 0.401 176.694 176.300 -0.011 0.000 1.150 429 D CA 0.091 54.086 54.000 -0.009 0.000 0.870 429 D CB 1.956 42.752 40.800 -0.006 0.000 1.153 429 D HN 0.547 nan 8.370 nan 0.000 0.457 430 A N 4.227 127.039 122.820 -0.013 0.000 1.898 430 A HA -0.109 4.211 4.320 0.000 0.000 0.214 430 A C 2.222 179.800 177.584 -0.010 0.000 1.183 430 A CA 0.949 52.978 52.037 -0.013 0.000 0.622 430 A CB -0.663 18.327 19.000 -0.017 0.000 0.824 430 A HN 0.788 nan 8.150 nan 0.000 0.444 431 I N -0.513 120.053 120.570 -0.008 0.000 2.335 431 I HA -0.290 3.880 4.170 0.000 0.000 0.251 431 I C 1.938 178.054 176.117 -0.002 0.000 1.129 431 I CA 2.354 63.651 61.300 -0.005 0.000 1.402 431 I CB -0.436 37.562 38.000 -0.004 0.000 1.069 431 I HN 0.471 nan 8.210 nan 0.000 0.424 432 E N 1.764 121.963 120.200 -0.002 0.000 2.015 432 E HA -0.195 4.155 4.350 0.000 0.000 0.191 432 E C 2.323 178.924 176.600 0.001 0.000 0.991 432 E CA 1.727 58.127 56.400 -0.000 0.000 0.802 432 E CB -0.471 29.230 29.700 0.001 0.000 0.759 432 E HN 0.586 nan 8.360 nan 0.000 0.447 433 I N 1.483 122.052 120.570 -0.001 0.000 2.394 433 I HA -0.213 3.958 4.170 0.000 0.000 0.251 433 I C 2.267 178.386 176.117 0.003 0.000 1.136 433 I CA 0.522 61.822 61.300 -0.000 0.000 1.425 433 I CB -0.136 37.860 38.000 -0.007 0.000 1.079 433 I HN 0.118 nan 8.210 nan 0.000 0.425 434 L N 0.104 121.327 121.223 0.000 0.000 2.127 434 L HA -0.150 4.190 4.340 0.000 0.000 0.211 434 L C 2.384 179.258 176.870 0.007 0.000 1.089 434 L CA 1.609 56.450 54.840 0.002 0.000 0.757 434 L CB -1.237 40.819 42.059 -0.005 0.000 0.899 434 L HN 0.181 nan 8.230 nan 0.000 0.434 435 V N -0.892 119.026 119.914 0.007 0.000 3.306 435 V HA -0.071 4.049 4.120 0.000 0.000 0.264 435 V C 2.335 178.438 176.094 0.014 0.000 1.149 435 V CA 0.628 62.934 62.300 0.010 0.000 1.143 435 V CB -0.435 31.393 31.823 0.008 0.000 0.767 435 V HN 0.403 nan 8.190 nan 0.000 0.476 436 K N 0.438 120.847 120.400 0.014 0.000 2.044 436 K HA 0.015 4.335 4.320 0.000 0.000 0.204 436 K C 2.152 178.769 176.600 0.027 0.000 1.045 436 K CA 1.025 57.322 56.287 0.017 0.000 0.951 436 K CB -0.452 32.056 32.500 0.013 0.000 0.738 436 K HN 0.389 nan 8.250 nan 0.000 0.443 437 V N 2.241 122.173 119.914 0.031 0.000 2.223 437 V HA -0.252 3.869 4.120 0.000 0.000 0.244 437 V C 2.467 178.609 176.094 0.079 0.000 1.045 437 V CA 1.673 64.005 62.300 0.053 0.000 1.000 437 V CB -0.729 31.125 31.823 0.052 0.000 0.635 437 V HN 0.284 nan 8.190 nan 0.000 0.445 438 R N 0.618 121.150 120.500 0.053 0.000 2.168 438 R HA -0.290 4.050 4.340 0.000 0.000 0.242 438 R C 2.447 178.784 176.300 0.062 0.000 1.123 438 R CA 2.021 58.147 56.100 0.044 0.000 0.928 438 R CB -1.071 29.239 30.300 0.017 0.000 0.873 438 R HN 0.545 nan 8.270 nan 0.000 0.434 439 A N 0.898 123.745 122.820 0.045 0.000 1.986 439 A HA -0.154 4.166 4.320 0.000 0.000 0.220 439 A C 2.303 179.917 177.584 0.050 0.000 1.171 439 A CA 1.923 53.983 52.037 0.040 0.000 0.640 439 A CB -0.597 18.419 19.000 0.026 0.000 0.811 439 A HN 0.502 nan 8.150 nan 0.000 0.451 440 A N -2.230 120.624 122.820 0.058 0.000 2.072 440 A HA 0.035 4.356 4.320 0.000 0.000 0.216 440 A C 1.847 179.470 177.584 0.063 0.000 1.156 440 A CA 1.308 53.372 52.037 0.046 0.000 0.701 440 A CB -0.651 18.364 19.000 0.024 0.000 0.816 440 A HN 0.771 nan 8.150 nan 0.000 0.458 441 H N -0.663 118.409 119.070 0.004 0.000 2.372 441 H HA 0.123 4.680 4.556 0.000 0.000 0.301 441 H C 2.242 177.573 175.328 0.005 0.000 1.065 441 H CA 0.832 56.883 56.048 0.004 0.000 1.364 441 H CB 0.084 29.848 29.762 0.002 0.000 1.406 441 H HN 0.459 nan 8.280 nan 0.000 0.521 442 A N -0.448 122.468 122.820 0.160 0.000 2.186 442 A HA -0.148 4.172 4.320 0.000 0.000 0.219 442 A C 2.037 179.660 177.584 0.065 0.000 1.159 442 A CA 1.892 53.984 52.037 0.091 0.000 0.680 442 A CB -0.212 18.820 19.000 0.054 0.000 0.787 442 A HN 0.446 nan 8.150 nan 0.000 0.467 443 S N -1.420 114.314 115.700 0.057 0.000 2.807 443 S HA 0.034 4.504 4.470 0.000 0.000 0.247 443 S C 1.548 176.157 174.600 0.015 0.000 1.078 443 S CA 0.478 58.696 58.200 0.030 0.000 0.867 443 S CB -0.207 63.007 63.200 0.023 0.000 0.797 443 S HN 0.708 nan 8.310 nan 0.000 0.515 444 N N 0.792 119.492 118.700 -0.001 0.000 2.333 444 N HA 0.343 5.083 4.740 0.000 0.000 0.178 444 N C 0.768 176.254 175.510 -0.041 0.000 1.018 444 N CA 0.582 53.612 53.050 -0.033 0.000 0.882 444 N CB 0.315 38.768 38.487 -0.056 0.000 0.984 444 N HN 0.472 nan 8.380 nan 0.000 0.434 445 G N 0.353 109.134 108.800 -0.031 0.000 2.566 445 G HA2 -0.255 3.705 3.960 0.000 0.000 0.599 445 G HA3 -0.255 3.705 3.960 0.000 0.000 0.599 445 G C 0.029 174.837 174.900 -0.153 0.000 1.292 445 G CA -0.044 45.044 45.100 -0.019 0.000 0.922 445 G HN 0.365 nan 8.290 nan 0.000 0.514 446 N N 0.827 119.513 118.700 -0.022 0.000 2.062 446 N HA -0.122 4.618 4.740 0.000 0.000 0.191 446 N C 2.055 177.490 175.510 -0.126 0.000 1.042 446 N CA 2.043 55.138 53.050 0.076 0.000 0.845 446 N CB -0.509 38.040 38.487 0.102 0.000 1.024 446 N HN 1.252 nan 8.380 nan 0.000 0.424 447 K N -0.588 119.765 120.400 -0.079 0.000 2.564 447 K HA -0.320 4.000 4.320 0.000 0.000 0.203 447 K C 0.030 176.559 176.600 -0.118 0.000 0.991 447 K CA 1.829 58.067 56.287 -0.082 0.000 0.888 447 K CB -0.986 31.488 32.500 -0.044 0.000 1.060 447 K HN 0.470 nan 8.250 nan 0.000 0.514 448 C N -0.441 118.703 119.300 -0.261 0.000 3.166 448 C HA 0.719 5.179 4.460 0.000 0.000 0.277 448 C C -0.674 174.146 174.990 -0.283 0.000 0.984 448 C CA -0.039 58.846 59.018 -0.223 0.000 1.142 448 C CB 0.280 27.948 27.740 -0.119 0.000 1.721 448 C HN 0.585 nan 8.230 nan 0.000 0.628 449 A N 1.830 124.521 122.820 -0.217 0.000 3.124 449 A HA 0.636 4.957 4.320 0.000 0.000 0.204 449 A C 0.031 177.659 177.584 0.073 0.000 1.231 449 A CA 0.511 52.488 52.037 -0.099 0.000 1.295 449 A CB -0.745 18.243 19.000 -0.021 0.000 1.221 449 A HN 1.416 nan 8.150 nan 0.000 0.744 450 G N -0.675 108.136 108.800 0.019 0.000 2.714 450 G HA2 0.644 4.604 3.960 0.000 0.000 0.292 450 G HA3 0.644 4.604 3.960 0.000 0.000 0.292 450 G C -1.100 173.808 174.900 0.013 0.000 1.308 450 G CA -0.760 44.357 45.100 0.028 0.000 0.964 450 G HN 0.478 nan 8.290 nan 0.000 0.484 451 L N 1.181 122.402 121.223 -0.003 0.000 2.556 451 L HA 0.312 4.652 4.340 0.000 0.000 0.243 451 L C 0.078 176.914 176.870 -0.057 0.000 1.331 451 L CA -0.806 54.021 54.840 -0.021 0.000 0.927 451 L CB 0.797 42.843 42.059 -0.022 0.000 1.219 451 L HN 0.468 nan 8.230 nan 0.000 0.490 452 N N 0.613 119.291 118.700 -0.037 0.000 2.365 452 N HA -0.047 4.693 4.740 0.000 0.000 0.265 452 N C 1.373 176.798 175.510 -0.142 0.000 1.288 452 N CA 0.470 53.488 53.050 -0.053 0.000 0.869 452 N CB 1.244 39.758 38.487 0.045 0.000 1.071 452 N HN 0.373 nan 8.380 nan 0.000 0.480 453 V N 3.053 122.761 119.914 -0.343 0.000 2.427 453 V HA -0.094 4.026 4.120 0.000 0.000 0.248 453 V C 1.461 177.366 176.094 -0.315 0.000 1.051 453 V CA 1.341 63.386 62.300 -0.426 0.000 1.048 453 V CB -0.965 30.493 31.823 -0.607 0.000 0.666 453 V HN 0.484 nan 8.190 nan 0.000 0.456 454 F N 1.487 121.436 119.950 -0.001 0.000 2.037 454 F HA 0.044 4.571 4.527 0.000 0.000 0.291 454 F C 2.858 178.658 175.800 -0.001 0.000 1.137 454 F CA 2.145 60.144 58.000 -0.001 0.000 1.178 454 F CB -1.600 37.399 39.000 -0.001 0.000 0.995 454 F HN 0.020 nan 8.300 nan 0.000 0.472 455 T N -1.367 113.311 114.554 0.206 0.000 2.668 455 T HA 0.174 4.524 4.350 0.000 0.000 0.262 455 T C 1.292 176.025 174.700 0.055 0.000 1.045 455 T CA 1.913 64.077 62.100 0.106 0.000 1.152 455 T CB -0.833 68.087 68.868 0.087 0.000 0.864 455 T HN 0.560 nan 8.240 nan 0.000 0.419 456 G N 0.486 109.307 108.800 0.035 0.000 2.337 456 G HA2 0.351 4.311 3.960 0.000 0.000 0.134 456 G HA3 0.351 4.311 3.960 0.000 0.000 0.134 456 G C -0.175 174.729 174.900 0.007 0.000 1.052 456 G CA -0.208 44.896 45.100 0.007 0.000 0.737 456 G HN 0.863 nan 8.290 nan 0.000 0.485 457 A N -1.486 121.340 122.820 0.010 0.000 2.515 457 A HA 0.941 5.262 4.320 0.000 0.000 0.299 457 A C -0.166 177.423 177.584 0.008 0.000 1.179 457 A CA 0.053 52.095 52.037 0.008 0.000 0.656 457 A CB 1.077 20.084 19.000 0.013 0.000 1.306 457 A HN 1.715 nan 8.150 nan 0.000 0.459 458 V N 0.733 120.652 119.914 0.009 0.000 2.572 458 V HA 0.480 4.601 4.120 0.000 0.000 0.291 458 V C -0.014 176.083 176.094 0.006 0.000 1.039 458 V CA 0.689 62.995 62.300 0.009 0.000 1.055 458 V CB 0.895 32.726 31.823 0.013 0.000 0.969 458 V HN 0.939 nan 8.190 nan 0.000 0.482 459 E N 4.113 124.315 120.200 0.002 0.000 2.299 459 E HA 0.352 4.702 4.350 0.000 0.000 0.265 459 E C -0.963 175.627 176.600 -0.018 0.000 0.911 459 E CA -0.684 55.717 56.400 0.002 0.000 0.789 459 E CB 1.603 31.311 29.700 0.014 0.000 1.246 459 E HN 0.710 nan 8.360 nan 0.000 0.427 460 D N 4.587 124.975 120.400 -0.019 0.000 2.435 460 D HA 0.035 4.675 4.640 0.000 0.000 0.230 460 D C 1.166 177.458 176.300 -0.014 0.000 1.215 460 D CA -0.048 53.934 54.000 -0.030 0.000 0.947 460 D CB 0.213 40.997 40.800 -0.027 0.000 1.048 460 D HN 0.449 nan 8.370 nan 0.000 0.512 461 M N 1.986 121.577 119.600 -0.014 0.000 3.092 461 M HA -0.367 4.113 4.480 0.000 0.000 0.270 461 M C 2.295 178.596 176.300 0.001 0.000 1.042 461 M CA 1.761 57.061 55.300 -0.000 0.000 1.052 461 M CB -1.953 30.654 32.600 0.011 0.000 1.250 461 M HN 0.448 nan 8.290 nan 0.000 0.529 462 C N -0.110 119.186 119.300 -0.007 0.000 2.413 462 C HA -0.145 4.315 4.460 0.000 0.000 0.276 462 C C 2.657 177.646 174.990 -0.002 0.000 1.248 462 C CA 1.149 60.164 59.018 -0.004 0.000 1.742 462 C CB -1.364 26.370 27.740 -0.010 0.000 2.017 462 C HN 0.603 nan 8.230 nan 0.000 0.481 463 E N 0.665 120.862 120.200 -0.005 0.000 2.072 463 E HA -0.170 4.180 4.350 0.000 0.000 0.191 463 E C 1.857 178.459 176.600 0.003 0.000 0.985 463 E CA 0.890 57.288 56.400 -0.002 0.000 0.801 463 E CB -0.312 29.385 29.700 -0.004 0.000 0.750 463 E HN 0.639 nan 8.360 nan 0.000 0.452 464 N N -1.126 117.579 118.700 0.009 0.000 2.089 464 N HA -0.291 4.449 4.740 0.000 0.000 0.198 464 N C 1.306 176.825 175.510 0.015 0.000 1.017 464 N CA 1.613 54.674 53.050 0.017 0.000 0.880 464 N CB -0.050 38.454 38.487 0.029 0.000 1.042 464 N HN 0.313 nan 8.380 nan 0.000 0.446 465 G N -1.114 107.694 108.800 0.012 0.000 2.397 465 G HA2 -0.291 3.670 3.960 0.000 0.000 0.211 465 G HA3 -0.291 3.670 3.960 0.000 0.000 0.211 465 G C 0.216 175.126 174.900 0.017 0.000 1.077 465 G CA 0.158 45.265 45.100 0.013 0.000 0.649 465 G HN 0.476 nan 8.290 nan 0.000 0.511 466 V N 0.762 120.693 119.914 0.027 0.000 2.357 466 V HA 0.537 4.657 4.120 0.000 0.000 0.239 466 V C 0.559 176.667 176.094 0.023 0.000 1.168 466 V CA 0.078 62.397 62.300 0.032 0.000 1.262 466 V CB -0.248 31.606 31.823 0.052 0.000 1.314 466 V HN 0.819 nan 8.190 nan 0.000 0.486 467 V N 3.696 123.620 119.914 0.017 0.000 3.206 467 V HA 0.676 4.796 4.120 0.000 0.000 0.305 467 V C -0.246 175.856 176.094 0.012 0.000 1.257 467 V CA -0.861 61.448 62.300 0.015 0.000 1.057 467 V CB 2.496 34.326 31.823 0.012 0.000 1.075 467 V HN 0.898 nan 8.190 nan 0.000 0.443 468 E N 1.305 121.512 120.200 0.011 0.000 2.423 468 E HA 0.644 4.994 4.350 0.000 0.000 0.269 468 E C -2.970 173.634 176.600 0.007 0.000 0.948 468 E CA -2.105 54.299 56.400 0.008 0.000 0.802 468 E CB 2.179 31.883 29.700 0.007 0.000 1.339 468 E HN 0.387 nan 8.360 nan 0.000 0.445 469 P HA 0.055 nan 4.420 nan 0.000 0.286 469 P C 0.423 177.725 177.300 0.004 0.000 1.293 469 P CA -0.470 62.632 63.100 0.004 0.000 0.770 469 P CB 1.129 32.830 31.700 0.002 0.000 1.206 470 L N -0.455 120.770 121.223 0.003 0.000 2.189 470 L HA 0.084 4.425 4.340 0.000 0.000 0.199 470 L C 2.818 179.690 176.870 0.002 0.000 1.074 470 L CA 0.847 55.690 54.840 0.003 0.000 0.783 470 L CB -0.574 41.488 42.059 0.004 0.000 0.955 470 L HN 0.371 nan 8.230 nan 0.000 0.460 471 R N -0.118 120.382 120.500 0.001 0.000 2.159 471 R HA -0.290 4.050 4.340 0.000 0.000 0.249 471 R C 2.125 178.425 176.300 -0.001 0.000 1.136 471 R CA 2.637 58.736 56.100 -0.000 0.000 0.951 471 R CB -0.886 29.413 30.300 -0.001 0.000 0.876 471 R HN 0.394 nan 8.270 nan 0.000 0.440 472 V N 0.903 120.817 119.914 -0.001 0.000 2.351 472 V HA -0.463 3.658 4.120 0.000 0.000 0.243 472 V C 1.861 177.955 176.094 -0.001 0.000 1.046 472 V CA 3.224 65.524 62.300 -0.001 0.000 1.107 472 V CB -0.582 31.241 31.823 -0.001 0.000 0.842 472 V HN 0.632 nan 8.190 nan 0.000 0.482 473 K N -0.053 120.347 120.400 0.001 0.000 2.370 473 K HA 0.143 4.463 4.320 0.000 0.000 0.194 473 K C 1.981 178.583 176.600 0.004 0.000 1.070 473 K CA 1.172 57.460 56.287 0.002 0.000 0.998 473 K CB -0.200 32.302 32.500 0.003 0.000 0.911 473 K HN 0.787 nan 8.250 nan 0.000 0.533 474 T N -1.460 113.095 114.554 0.003 0.000 2.746 474 T HA -0.200 4.150 4.350 0.000 0.000 0.267 474 T C 1.956 176.659 174.700 0.005 0.000 1.039 474 T CA 1.456 63.558 62.100 0.003 0.000 1.142 474 T CB -0.275 68.593 68.868 0.000 0.000 0.866 474 T HN 0.283 nan 8.240 nan 0.000 0.444 475 Q N 1.634 121.436 119.800 0.004 0.000 2.107 475 Q HA 0.396 4.737 4.340 0.000 0.000 0.195 475 Q C 2.531 178.534 176.000 0.006 0.000 0.964 475 Q CA 1.540 57.346 55.803 0.004 0.000 0.833 475 Q CB -1.020 27.718 28.738 0.001 0.000 0.910 475 Q HN 0.552 nan 8.270 nan 0.000 0.465 476 A N 0.766 123.588 122.820 0.003 0.000 1.948 476 A HA -0.178 4.142 4.320 0.000 0.000 0.220 476 A C 2.061 179.649 177.584 0.007 0.000 1.177 476 A CA 1.766 53.803 52.037 0.000 0.000 0.636 476 A CB -0.767 18.231 19.000 -0.004 0.000 0.815 476 A HN 0.492 nan 8.150 nan 0.000 0.449 477 I N -1.354 119.227 120.570 0.018 0.000 2.296 477 I HA -0.189 3.981 4.170 0.000 0.000 0.242 477 I C 2.578 178.736 176.117 0.067 0.000 1.087 477 I CA 0.859 62.184 61.300 0.042 0.000 1.393 477 I CB -1.107 36.927 38.000 0.058 0.000 1.093 477 I HN 0.463 nan 8.210 nan 0.000 0.421 478 Q N 0.795 120.623 119.800 0.047 0.000 1.817 478 Q HA -0.315 4.025 4.340 0.000 0.000 0.290 478 Q C 2.273 178.296 176.000 0.039 0.000 1.048 478 Q CA 2.555 58.382 55.803 0.040 0.000 0.889 478 Q CB -0.588 28.162 28.738 0.020 0.000 0.991 478 Q HN 0.263 nan 8.270 nan 0.000 0.416 479 S N -0.670 115.043 115.700 0.023 0.000 2.440 479 S HA -0.120 4.351 4.470 0.000 0.000 0.238 479 S C 1.680 176.289 174.600 0.016 0.000 1.010 479 S CA 0.866 59.076 58.200 0.017 0.000 0.972 479 S CB -0.183 63.022 63.200 0.008 0.000 0.774 479 S HN 0.474 nan 8.310 nan 0.000 0.501 480 A N 0.736 123.565 122.820 0.016 0.000 1.903 480 A HA 0.380 4.700 4.320 0.000 0.000 0.213 480 A C 2.308 179.901 177.584 0.015 0.000 1.185 480 A CA 1.241 53.280 52.037 0.004 0.000 0.628 480 A CB -0.967 18.024 19.000 -0.016 0.000 0.830 480 A HN 0.534 nan 8.150 nan 0.000 0.446 481 A N -0.189 122.665 122.820 0.057 0.000 1.933 481 A HA -0.123 4.197 4.320 0.000 0.000 0.218 481 A C 1.849 179.517 177.584 0.139 0.000 1.175 481 A CA 1.538 53.658 52.037 0.139 0.000 0.628 481 A CB -0.321 18.848 19.000 0.281 0.000 0.814 481 A HN 0.549 nan 8.150 nan 0.000 0.444 482 E N -0.926 119.328 120.200 0.089 0.000 2.447 482 E HA 0.051 4.401 4.350 0.000 0.000 0.195 482 E C 1.686 178.314 176.600 0.048 0.000 1.028 482 E CA 0.398 56.839 56.400 0.069 0.000 0.876 482 E CB 0.223 29.955 29.700 0.052 0.000 0.885 482 E HN 0.509 nan 8.360 nan 0.000 0.500 483 S N 0.517 116.238 115.700 0.035 0.000 2.371 483 S HA -0.063 4.407 4.470 0.000 0.000 0.219 483 S C 1.904 176.513 174.600 0.015 0.000 1.040 483 S CA 1.388 59.599 58.200 0.018 0.000 0.958 483 S CB 0.204 63.408 63.200 0.008 0.000 0.860 483 S HN 0.366 nan 8.310 nan 0.000 0.487 484 T N 0.067 114.630 114.554 0.015 0.000 3.243 484 T HA 0.321 4.671 4.350 0.000 0.000 0.264 484 T C 0.414 175.134 174.700 0.034 0.000 1.000 484 T CA -0.063 62.041 62.100 0.008 0.000 0.901 484 T CB -0.032 68.822 68.868 -0.023 0.000 1.083 484 T HN 0.577 nan 8.240 nan 0.000 0.559 485 E N 0.626 120.865 120.200 0.064 0.000 2.630 485 E HA 0.203 4.553 4.350 0.000 0.000 0.218 485 E C 1.690 178.328 176.600 0.064 0.000 0.977 485 E CA -0.254 56.200 56.400 0.089 0.000 1.038 485 E CB -0.029 29.764 29.700 0.156 0.000 1.051 485 E HN 0.645 nan 8.360 nan 0.000 0.487 486 M N 0.021 119.648 119.600 0.045 0.000 2.160 486 M HA 0.104 4.584 4.480 0.000 0.000 0.264 486 M C 1.630 177.946 176.300 0.027 0.000 1.073 486 M CA 1.186 56.505 55.300 0.032 0.000 1.142 486 M CB -0.350 32.265 32.600 0.025 0.000 1.358 486 M HN 0.086 nan 8.290 nan 0.000 0.422 487 L N 0.707 121.943 121.223 0.023 0.000 2.079 487 L HA -0.183 4.157 4.340 0.000 0.000 0.210 487 L C 2.561 179.445 176.870 0.024 0.000 1.081 487 L CA 0.767 55.618 54.840 0.018 0.000 0.752 487 L CB -1.246 40.817 42.059 0.007 0.000 0.896 487 L HN 0.382 nan 8.230 nan 0.000 0.433 488 L N 0.401 121.642 121.223 0.031 0.000 2.195 488 L HA -0.351 3.989 4.340 0.000 0.000 0.225 488 L C 2.597 179.475 176.870 0.015 0.000 1.096 488 L CA 2.300 57.159 54.840 0.032 0.000 0.814 488 L CB -0.433 41.655 42.059 0.049 0.000 0.901 488 L HN 0.379 nan 8.230 nan 0.000 0.446 489 R N 0.212 120.722 120.500 0.017 0.000 2.104 489 R HA 0.127 4.468 4.340 0.000 0.000 0.208 489 R C 0.777 177.086 176.300 0.015 0.000 1.168 489 R CA 0.333 56.440 56.100 0.012 0.000 0.950 489 R CB -1.169 29.135 30.300 0.007 0.000 0.778 489 R HN 0.181 nan 8.270 nan 0.000 0.482 490 I N 3.847 124.433 120.570 0.027 0.000 2.752 490 I HA -0.188 3.983 4.170 0.000 0.000 0.126 490 I C -0.677 175.463 176.117 0.039 0.000 0.884 490 I CA 1.071 62.392 61.300 0.036 0.000 2.786 490 I CB -1.073 36.951 38.000 0.040 0.000 0.573 490 I HN 0.790 nan 8.210 nan 0.000 0.352 491 D N 5.544 125.971 120.400 0.045 0.000 2.957 491 D HA 0.250 4.891 4.640 0.000 0.000 0.352 491 D C -0.233 176.105 176.300 0.063 0.000 1.352 491 D CA -0.220 53.810 54.000 0.051 0.000 0.831 491 D CB 0.928 41.758 40.800 0.050 0.000 1.147 491 D HN 0.653 nan 8.370 nan 0.000 0.467 492 D N 0.203 120.644 120.400 0.068 0.000 2.334 492 D HA 0.094 4.734 4.640 0.000 0.000 0.182 492 D C -1.941 174.402 176.300 0.072 0.000 1.157 492 D CA -0.430 53.611 54.000 0.069 0.000 0.807 492 D CB 1.983 42.814 40.800 0.052 0.000 2.649 492 D HN -0.024 nan 8.370 nan 0.000 0.494 493 V N 5.871 125.835 119.914 0.084 0.000 2.501 493 V HA 0.413 4.533 4.120 0.000 0.000 0.277 493 V C -0.978 175.129 176.094 0.022 0.000 1.004 493 V CA -0.516 61.831 62.300 0.079 0.000 0.862 493 V CB 0.904 32.802 31.823 0.126 0.000 1.035 493 V HN 0.482 nan 8.190 nan 0.000 0.448 494 I N 6.625 127.198 120.570 0.004 0.000 2.312 494 I HA 0.800 4.970 4.170 0.000 0.000 0.291 494 I C 0.468 176.571 176.117 -0.023 0.000 1.031 494 I CA 0.083 61.362 61.300 -0.034 0.000 1.293 494 I CB 1.010 38.998 38.000 -0.020 0.000 1.403 494 I HN 0.755 nan 8.210 nan 0.000 0.484 495 A N 5.327 128.122 122.820 -0.042 0.000 2.567 495 A HA 1.020 5.340 4.320 0.000 0.000 0.289 495 A C -1.370 176.196 177.584 -0.029 0.000 1.177 495 A CA -0.521 51.505 52.037 -0.018 0.000 0.694 495 A CB 2.117 21.131 19.000 0.024 0.000 1.292 495 A HN 0.928 nan 8.150 nan 0.000 0.425 496 A N -0.111 122.705 122.820 -0.006 0.000 2.580 496 A HA 0.608 4.928 4.320 0.000 0.000 0.301 496 A C -0.790 176.799 177.584 0.009 0.000 1.054 496 A CA 0.220 52.256 52.037 -0.001 0.000 0.751 496 A CB 0.597 19.591 19.000 -0.010 0.000 1.275 496 A HN 1.337 nan 8.150 nan 0.000 0.403 497 E N 0.000 120.203 120.200 0.006 0.000 2.725 497 E HA 0.000 4.350 4.350 0.000 0.000 0.291 497 E CA 0.000 56.405 56.400 0.009 0.000 0.976 497 E CB 0.000 29.705 29.700 0.008 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440