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 2y0s_1_Y DATA FIRST_RESID 11 DATA SEQUENCE SYLEEKVKQA SNILPQKIVE DLKNLISNKE VLVTRDEIDK IFDLAIKEYS DATA SEQUENCE EGLIAPGEAI GIVAAQSVGE PGTQXXXXXX XXXXXXXXXX XLGLPRLIEI DATA SEQUENCE VDAKKVPSTP MMTIYLTDEY KHDKEKALEV ARKLEYTKIE NVVSSTSIDI DATA SEQUENCE ASMSIILQLD NEMLKDKGVT VDDVKKAINR LKLGEFVIDE SEGNTLNISF DATA SEQUENCE ANIDSIAALF KLRDKILNTK IKGIKGIKRA IVQKKGDEYI ILTDGSNLSG DATA SEQUENCE VLSVKGVDIA KVETNNIREI EEVFGIEAAR EIIIREISKV LAEQGLDVDM DATA SEQUENCE RHILLVADVM TRTGVVRQIG RHGVTGEKNS VLARAAFEVT VKHLLDAAAR DATA SEQUENCE GDVEEFKGVV ENIIIGHPIK LGTGMVELTM RPILR 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.595 174.600 -0.008 0.000 1.055 11 S CA 0.000 58.131 58.200 -0.115 0.000 1.107 11 S CB 0.000 63.140 63.200 -0.100 0.000 0.593 12 Y N 1.420 121.716 120.300 -0.008 0.000 2.686 12 Y HA -0.288 4.262 4.550 0.001 0.000 0.483 12 Y C 0.914 176.809 175.900 -0.009 0.000 1.027 12 Y CA 1.785 59.882 58.100 -0.006 0.000 3.093 12 Y CB -1.399 37.058 38.460 -0.004 0.000 0.994 12 Y HN 0.466 nan 8.280 nan 0.000 0.586 13 L N 1.063 122.392 121.223 0.177 0.000 3.084 13 L HA 0.278 4.619 4.340 0.002 0.000 0.238 13 L C 1.343 178.229 176.870 0.026 0.000 1.327 13 L CA 0.501 55.385 54.840 0.073 0.000 1.094 13 L CB 0.419 42.505 42.059 0.044 0.000 1.477 13 L HN 0.305 nan 8.230 nan 0.000 0.514 14 E N 0.650 120.862 120.200 0.021 0.000 2.077 14 E HA -0.255 4.096 4.350 0.002 0.000 0.193 14 E C 1.953 178.546 176.600 -0.013 0.000 0.989 14 E CA 1.553 57.951 56.400 -0.003 0.000 0.800 14 E CB 0.218 29.911 29.700 -0.011 0.000 0.746 14 E HN 0.579 nan 8.360 nan 0.000 0.452 15 E N 0.537 120.733 120.200 -0.007 0.000 2.070 15 E HA -0.313 4.038 4.350 0.002 0.000 0.197 15 E C 2.046 178.632 176.600 -0.023 0.000 1.004 15 E CA 1.607 58.001 56.400 -0.010 0.000 0.805 15 E CB -0.158 29.542 29.700 -0.000 0.000 0.744 15 E HN 0.180 nan 8.360 nan 0.000 0.451 16 K N 0.178 120.556 120.400 -0.036 0.000 2.155 16 K HA -0.068 4.252 4.320 0.002 0.000 0.203 16 K C 2.092 178.627 176.600 -0.109 0.000 1.052 16 K CA 0.894 57.138 56.287 -0.073 0.000 0.948 16 K CB 0.051 32.492 32.500 -0.099 0.000 0.728 16 K HN 0.125 nan 8.250 nan 0.000 0.448 17 V N 1.486 121.345 119.914 -0.092 0.000 2.548 17 V HA -0.178 3.943 4.120 0.002 0.000 0.249 17 V C 1.720 177.774 176.094 -0.065 0.000 1.055 17 V CA 1.679 63.923 62.300 -0.094 0.000 1.065 17 V CB -0.193 31.590 31.823 -0.067 0.000 0.681 17 V HN 0.322 nan 8.190 nan 0.000 0.462 18 K N -0.823 119.550 120.400 -0.046 0.000 2.155 18 K HA -0.129 4.192 4.320 0.002 0.000 0.203 18 K C 2.176 178.758 176.600 -0.031 0.000 1.052 18 K CA 1.351 57.618 56.287 -0.032 0.000 0.948 18 K CB -0.117 32.369 32.500 -0.022 0.000 0.728 18 K HN 0.550 nan 8.250 nan 0.000 0.448 19 Q N 0.074 119.852 119.800 -0.037 0.000 2.123 19 Q HA -0.060 4.281 4.340 0.002 0.000 0.199 19 Q C 2.174 178.155 176.000 -0.032 0.000 0.966 19 Q CA 1.232 57.019 55.803 -0.027 0.000 0.845 19 Q CB -0.028 28.698 28.738 -0.020 0.000 0.907 19 Q HN 0.304 nan 8.270 nan 0.000 0.439 20 A N 0.449 123.229 122.820 -0.067 0.000 1.897 20 A HA -0.110 4.210 4.320 0.002 0.000 0.215 20 A C 2.068 179.629 177.584 -0.038 0.000 1.181 20 A CA 1.447 53.442 52.037 -0.069 0.000 0.620 20 A CB -0.478 18.422 19.000 -0.167 0.000 0.821 20 A HN 0.272 nan 8.150 nan 0.000 0.443 21 S N -0.474 115.201 115.700 -0.042 0.000 2.660 21 S HA -0.060 4.411 4.470 0.002 0.000 0.228 21 S C 1.426 176.017 174.600 -0.015 0.000 0.966 21 S CA 0.971 59.156 58.200 -0.025 0.000 0.940 21 S CB -0.600 62.584 63.200 -0.027 0.000 0.773 21 S HN 0.587 nan 8.310 nan 0.000 0.535 22 N N 0.647 119.340 118.700 -0.013 0.000 2.348 22 N HA 0.225 4.966 4.740 0.002 0.000 0.183 22 N C 1.165 176.674 175.510 -0.001 0.000 1.094 22 N CA 0.257 53.303 53.050 -0.006 0.000 0.885 22 N CB 0.015 38.498 38.487 -0.006 0.000 1.065 22 N HN 0.308 nan 8.380 nan 0.000 0.472 23 I N 0.741 121.313 120.570 0.003 0.000 2.876 23 I HA -0.037 4.134 4.170 0.002 0.000 0.264 23 I C 1.851 177.975 176.117 0.010 0.000 1.204 23 I CA 0.466 61.773 61.300 0.011 0.000 1.485 23 I CB -0.736 37.279 38.000 0.025 0.000 1.103 23 I HN 0.174 nan 8.210 nan 0.000 0.446 24 L N 1.836 123.063 121.223 0.007 0.000 2.017 24 L HA -0.100 4.241 4.340 0.002 0.000 0.208 24 L C -0.481 176.390 176.870 0.003 0.000 1.073 24 L CA 1.509 56.353 54.840 0.007 0.000 0.745 24 L CB -1.873 40.189 42.059 0.005 0.000 0.894 24 L HN 0.176 nan 8.230 nan 0.000 0.432 25 P HA -0.061 nan 4.420 nan 0.000 0.258 25 P C 0.721 178.020 177.300 -0.002 0.000 1.319 25 P CA 0.713 63.812 63.100 -0.001 0.000 0.785 25 P CB 0.211 31.910 31.700 -0.002 0.000 1.252 26 Q N 0.178 119.978 119.800 -0.001 0.000 2.178 26 Q HA 0.053 4.394 4.340 0.002 0.000 0.195 26 Q C 0.687 176.684 176.000 -0.005 0.000 0.960 26 Q CA 0.679 56.481 55.803 -0.002 0.000 0.843 26 Q CB 0.029 28.768 28.738 0.001 0.000 0.927 26 Q HN 0.117 nan 8.270 nan 0.000 0.487 27 K N 2.360 122.756 120.400 -0.007 0.000 2.243 27 K HA 0.161 4.482 4.320 0.002 0.000 0.232 27 K C -0.336 176.258 176.600 -0.011 0.000 1.237 27 K CA 0.113 56.392 56.287 -0.014 0.000 1.161 27 K CB -0.984 31.502 32.500 -0.022 0.000 1.505 27 K HN 0.277 nan 8.250 nan 0.000 0.271 28 I N 1.205 121.770 120.570 -0.009 0.000 2.906 28 I HA -0.199 3.972 4.170 0.002 0.000 0.301 28 I C 1.482 177.595 176.117 -0.006 0.000 1.221 28 I CA 0.184 61.480 61.300 -0.006 0.000 1.435 28 I CB 0.016 38.012 38.000 -0.006 0.000 1.345 28 I HN 0.152 nan 8.210 nan 0.000 0.558 29 V N 1.049 120.960 119.914 -0.004 0.000 3.485 29 V HA 0.214 4.335 4.120 0.002 0.000 0.280 29 V C 0.672 176.765 176.094 -0.002 0.000 1.495 29 V CA 0.522 62.820 62.300 -0.002 0.000 1.018 29 V CB -0.063 31.761 31.823 0.001 0.000 0.818 29 V HN 0.950 nan 8.190 nan 0.000 0.436 30 E N 2.269 122.467 120.200 -0.003 0.000 3.010 30 E HA -0.433 3.918 4.350 0.002 0.000 0.383 30 E C 1.000 177.599 176.600 -0.003 0.000 1.454 30 E CA 2.216 58.614 56.400 -0.003 0.000 1.171 30 E CB -1.973 27.725 29.700 -0.004 0.000 1.619 30 E HN 0.492 nan 8.360 nan 0.000 0.517 31 D N -0.223 120.175 120.400 -0.003 0.000 2.277 31 D HA 0.083 4.724 4.640 0.002 0.000 0.208 31 D C 2.043 178.342 176.300 -0.002 0.000 0.962 31 D CA 1.470 55.468 54.000 -0.003 0.000 0.865 31 D CB -0.105 40.693 40.800 -0.003 0.000 0.939 31 D HN 0.389 nan 8.370 nan 0.000 0.510 32 L N 0.519 121.742 121.223 -0.001 0.000 2.056 32 L HA -0.154 4.187 4.340 0.002 0.000 0.207 32 L C 2.513 179.383 176.870 0.001 0.000 1.078 32 L CA 1.381 56.222 54.840 0.001 0.000 0.749 32 L CB -0.818 41.244 42.059 0.004 0.000 0.901 32 L HN 0.146 nan 8.230 nan 0.000 0.433 33 K N 0.843 121.243 120.400 -0.000 0.000 2.089 33 K HA -0.246 4.075 4.320 0.002 0.000 0.210 33 K C 1.589 178.186 176.600 -0.005 0.000 1.048 33 K CA 2.285 58.571 56.287 -0.002 0.000 0.926 33 K CB -0.679 31.819 32.500 -0.004 0.000 0.714 33 K HN 0.341 nan 8.250 nan 0.000 0.448 34 N N 1.043 119.740 118.700 -0.005 0.000 2.043 34 N HA -0.104 4.637 4.740 0.002 0.000 0.193 34 N C 1.885 177.392 175.510 -0.005 0.000 1.037 34 N CA 1.635 54.682 53.050 -0.006 0.000 0.851 34 N CB -0.234 38.249 38.487 -0.005 0.000 1.027 34 N HN 0.071 nan 8.380 nan 0.000 0.422 35 L N 0.526 121.747 121.223 -0.003 0.000 2.141 35 L HA -0.066 4.275 4.340 0.002 0.000 0.209 35 L C 1.969 178.839 176.870 -0.001 0.000 1.094 35 L CA 0.766 55.604 54.840 -0.002 0.000 0.763 35 L CB -0.336 41.723 42.059 -0.001 0.000 0.908 35 L HN 0.238 nan 8.230 nan 0.000 0.437 36 I N -1.153 119.416 120.570 -0.001 0.000 2.315 36 I HA -0.278 3.893 4.170 0.002 0.000 0.248 36 I C 2.794 178.909 176.117 -0.004 0.000 1.117 36 I CA 1.147 62.447 61.300 0.000 0.000 1.404 36 I CB -0.268 37.734 38.000 0.003 0.000 1.071 36 I HN 0.198 nan 8.210 nan 0.000 0.419 37 S N 1.015 116.711 115.700 -0.008 0.000 2.368 37 S HA -0.177 4.294 4.470 0.002 0.000 0.225 37 S C 1.872 176.467 174.600 -0.008 0.000 1.030 37 S CA 1.549 59.742 58.200 -0.011 0.000 0.999 37 S CB -0.311 62.880 63.200 -0.014 0.000 0.844 37 S HN 0.430 nan 8.310 nan 0.000 0.459 38 N N 0.887 119.583 118.700 -0.006 0.000 2.142 38 N HA -0.043 4.698 4.740 0.002 0.000 0.186 38 N C 1.213 176.722 175.510 -0.002 0.000 1.023 38 N CA 0.955 54.002 53.050 -0.004 0.000 0.852 38 N CB -0.214 38.271 38.487 -0.004 0.000 0.998 38 N HN 0.427 nan 8.380 nan 0.000 0.424 39 K N 0.841 121.241 120.400 -0.001 0.000 2.591 39 K HA 0.036 4.357 4.320 0.002 0.000 0.197 39 K C 0.871 177.472 176.600 0.001 0.000 1.026 39 K CA 0.382 56.669 56.287 0.001 0.000 1.127 39 K CB 0.310 32.811 32.500 0.002 0.000 0.871 39 K HN 0.284 nan 8.250 nan 0.000 0.507 40 E N -1.553 118.647 120.200 -0.000 0.000 2.713 40 E HA -0.002 4.349 4.350 0.002 0.000 0.201 40 E C 1.454 178.056 176.600 0.004 0.000 0.935 40 E CA 0.054 56.455 56.400 0.001 0.000 1.273 40 E CB 0.424 30.121 29.700 -0.005 0.000 1.221 40 E HN -0.068 nan 8.360 nan 0.000 0.547 41 V N 1.740 121.654 119.914 -0.000 0.000 2.244 41 V HA -0.176 3.945 4.120 0.002 0.000 0.244 41 V C 2.059 178.154 176.094 0.002 0.000 1.042 41 V CA 1.521 63.821 62.300 0.001 0.000 1.006 41 V CB -0.318 31.502 31.823 -0.005 0.000 0.641 41 V HN 0.239 nan 8.190 nan 0.000 0.446 42 L N -0.087 121.136 121.223 -0.001 0.000 2.591 42 L HA 0.127 4.468 4.340 0.002 0.000 0.228 42 L C 0.191 177.061 176.870 0.001 0.000 1.133 42 L CA 0.180 55.020 54.840 -0.001 0.000 0.880 42 L CB 0.206 42.263 42.059 -0.003 0.000 1.033 42 L HN 0.181 nan 8.230 nan 0.000 0.450 43 V N -0.355 119.561 119.914 0.003 0.000 2.313 43 V HA 0.166 4.287 4.120 0.002 0.000 0.262 43 V C -0.052 176.047 176.094 0.008 0.000 1.011 43 V CA -0.487 61.815 62.300 0.005 0.000 0.858 43 V CB 0.447 32.273 31.823 0.004 0.000 1.104 43 V HN 0.359 nan 8.190 nan 0.000 0.456 44 T N 2.420 116.980 114.554 0.010 0.000 2.781 44 T HA -0.189 4.162 4.350 0.002 0.000 0.476 44 T C 0.393 175.106 174.700 0.021 0.000 0.785 44 T CA 0.407 62.516 62.100 0.015 0.000 2.497 44 T CB -0.800 68.076 68.868 0.013 0.000 1.663 44 T HN 0.613 nan 8.240 nan 0.000 0.547 45 R N 2.281 122.797 120.500 0.027 0.000 2.343 45 R HA 0.306 4.647 4.340 0.002 0.000 0.326 45 R C -0.431 175.901 176.300 0.053 0.000 1.055 45 R CA 0.152 56.273 56.100 0.036 0.000 0.961 45 R CB 0.265 30.588 30.300 0.039 0.000 0.978 45 R HN 0.629 nan 8.270 nan 0.000 0.443 46 D N 3.644 124.067 120.400 0.038 0.000 2.312 46 D HA 0.134 4.775 4.640 0.002 0.000 0.229 46 D C -0.168 176.139 176.300 0.012 0.000 1.337 46 D CA -0.178 53.840 54.000 0.030 0.000 0.964 46 D CB 0.703 41.517 40.800 0.023 0.000 1.456 46 D HN 0.639 nan 8.370 nan 0.000 0.547 47 E N 2.635 122.837 120.200 0.005 0.000 3.499 47 E HA 0.178 4.529 4.350 0.002 0.000 0.277 47 E C 1.468 178.065 176.600 -0.005 0.000 1.214 47 E CA -0.171 56.229 56.400 0.000 0.000 1.935 47 E CB 0.550 30.253 29.700 0.005 0.000 1.940 47 E HN 0.328 nan 8.360 nan 0.000 0.920 48 I N 1.036 121.604 120.570 -0.004 0.000 4.701 48 I HA -0.465 3.706 4.170 0.002 0.000 0.046 48 I C 1.225 177.374 176.117 0.053 0.000 0.626 48 I CA 2.482 63.786 61.300 0.005 0.000 0.723 48 I CB -1.129 36.861 38.000 -0.017 0.000 0.675 48 I HN 0.132 nan 8.210 nan 0.000 0.157 49 D N 0.824 121.264 120.400 0.068 0.000 2.213 49 D HA -0.038 4.603 4.640 0.002 0.000 0.205 49 D C 1.803 178.177 176.300 0.123 0.000 0.961 49 D CA 1.198 55.273 54.000 0.125 0.000 0.853 49 D CB 0.028 40.874 40.800 0.076 0.000 0.967 49 D HN 0.464 nan 8.370 nan 0.000 0.496 50 K N 0.505 120.943 120.400 0.064 0.000 2.211 50 K HA -0.034 4.287 4.320 0.002 0.000 0.203 50 K C 1.749 178.375 176.600 0.044 0.000 1.050 50 K CA 0.462 56.780 56.287 0.050 0.000 0.945 50 K CB 0.183 32.697 32.500 0.025 0.000 0.732 50 K HN 0.129 nan 8.250 nan 0.000 0.451 51 I N 0.877 121.455 120.570 0.014 0.000 2.091 51 I HA -0.253 3.918 4.170 0.002 0.000 0.239 51 I C 1.256 177.351 176.117 -0.036 0.000 1.061 51 I CA 1.465 62.729 61.300 -0.060 0.000 1.317 51 I CB -0.771 37.137 38.000 -0.153 0.000 1.031 51 I HN 0.045 nan 8.210 nan 0.000 0.401 52 F N 1.475 121.433 119.950 0.014 0.000 2.625 52 F HA 0.018 4.545 4.527 0.001 0.000 0.373 52 F C 0.985 176.796 175.800 0.018 0.000 1.158 52 F CA 0.588 58.599 58.000 0.017 0.000 1.354 52 F CB -0.651 38.357 39.000 0.014 0.000 1.692 52 F HN 0.188 nan 8.300 nan 0.000 0.634 53 D N -1.625 118.887 120.400 0.186 0.000 1.825 53 D HA -0.013 4.628 4.640 0.002 0.000 0.468 53 D C 1.818 178.169 176.300 0.085 0.000 1.150 53 D CA 0.253 54.324 54.000 0.119 0.000 1.197 53 D CB -0.482 40.366 40.800 0.079 0.000 2.044 53 D HN 0.125 nan 8.370 nan 0.000 0.452 54 L N 0.965 122.224 121.223 0.061 0.000 2.027 54 L HA 0.136 4.477 4.340 0.002 0.000 0.206 54 L C 2.550 179.455 176.870 0.059 0.000 1.074 54 L CA 1.587 56.455 54.840 0.047 0.000 0.745 54 L CB -0.649 41.426 42.059 0.026 0.000 0.898 54 L HN 0.091 nan 8.230 nan 0.000 0.433 55 A N 1.004 123.855 122.820 0.053 0.000 2.015 55 A HA -0.118 4.203 4.320 0.002 0.000 0.219 55 A C 2.033 179.673 177.584 0.093 0.000 1.163 55 A CA 1.327 53.395 52.037 0.050 0.000 0.646 55 A CB -0.791 18.217 19.000 0.013 0.000 0.806 55 A HN 0.607 nan 8.150 nan 0.000 0.448 56 I N -3.683 116.971 120.570 0.140 0.000 3.749 56 I HA 0.277 4.448 4.170 0.002 0.000 0.314 56 I C 0.401 176.675 176.117 0.261 0.000 1.278 56 I CA 0.212 61.625 61.300 0.190 0.000 1.158 56 I CB -0.074 38.062 38.000 0.227 0.000 1.018 56 I HN -0.143 nan 8.210 nan 0.000 0.435 57 K N 1.451 121.969 120.400 0.196 0.000 3.165 57 K HA 0.170 4.491 4.320 0.002 0.000 0.259 57 K C 0.670 177.382 176.600 0.187 0.000 1.282 57 K CA 0.023 56.454 56.287 0.241 0.000 1.259 57 K CB 0.057 32.634 32.500 0.128 0.000 1.546 57 K HN 0.231 nan 8.250 nan 0.000 0.384 58 E N -0.812 119.471 120.200 0.140 0.000 2.482 58 E HA -0.095 4.256 4.350 0.002 0.000 0.196 58 E C 0.406 177.008 176.600 0.004 0.000 1.047 58 E CA 0.549 56.962 56.400 0.021 0.000 0.869 58 E CB -0.059 29.603 29.700 -0.063 0.000 0.836 58 E HN 0.429 nan 8.360 nan 0.000 0.520 59 Y N 0.289 120.596 120.300 0.012 0.000 2.315 59 Y HA -0.255 4.295 4.550 0.001 0.000 0.288 59 Y C 2.510 178.414 175.900 0.007 0.000 1.154 59 Y CA 1.427 59.532 58.100 0.009 0.000 1.229 59 Y CB -0.405 38.060 38.460 0.010 0.000 0.980 59 Y HN 0.132 nan 8.280 nan 0.000 0.540 60 S N -0.945 114.846 115.700 0.152 0.000 2.377 60 S HA -0.131 4.339 4.470 0.002 0.000 0.223 60 S C 1.889 176.516 174.600 0.045 0.000 1.030 60 S CA 0.846 59.097 58.200 0.085 0.000 0.970 60 S CB -0.277 62.963 63.200 0.068 0.000 0.830 60 S HN 0.385 nan 8.310 nan 0.000 0.473 61 E N 2.219 122.437 120.200 0.029 0.000 2.204 61 E HA -0.028 4.323 4.350 0.002 0.000 0.194 61 E C 1.178 177.776 176.600 -0.003 0.000 0.989 61 E CA 0.638 57.042 56.400 0.007 0.000 0.824 61 E CB -0.619 29.080 29.700 -0.002 0.000 0.756 61 E HN 0.618 nan 8.360 nan 0.000 0.477 62 G N 1.347 110.141 108.800 -0.010 0.000 3.102 62 G HA2 0.306 4.267 3.960 0.002 0.000 0.264 62 G HA3 0.306 4.267 3.960 0.002 0.000 0.264 62 G C -0.166 174.738 174.900 0.007 0.000 0.788 62 G CA -0.141 44.946 45.100 -0.021 0.000 2.029 62 G HN 0.065 nan 8.290 nan 0.000 0.608 63 L N 1.714 122.942 121.223 0.008 0.000 2.628 63 L HA 0.384 4.725 4.340 0.002 0.000 0.258 63 L C -0.950 175.924 176.870 0.007 0.000 1.027 63 L CA -0.413 54.435 54.840 0.014 0.000 0.910 63 L CB 0.932 43.005 42.059 0.023 0.000 1.157 63 L HN 0.202 nan 8.230 nan 0.000 0.452 64 I N 0.995 121.568 120.570 0.005 0.000 3.631 64 I HA 0.951 5.122 4.170 0.002 0.000 0.294 64 I C -0.389 175.731 176.117 0.006 0.000 1.154 64 I CA -0.813 60.489 61.300 0.002 0.000 1.092 64 I CB 1.803 39.802 38.000 -0.002 0.000 1.367 64 I HN 0.313 nan 8.210 nan 0.000 0.470 65 A N 1.070 123.894 122.820 0.007 0.000 2.532 65 A HA 0.828 5.149 4.320 0.002 0.000 0.296 65 A C -2.977 174.611 177.584 0.008 0.000 1.058 65 A CA -0.819 51.223 52.037 0.009 0.000 0.729 65 A CB 0.796 19.804 19.000 0.014 0.000 1.285 65 A HN 0.491 nan 8.150 nan 0.000 0.396 66 P HA 0.731 nan 4.420 nan 0.000 0.301 66 P C 0.592 177.895 177.300 0.006 0.000 1.350 66 P CA 0.532 63.636 63.100 0.005 0.000 0.941 66 P CB 1.707 33.408 31.700 0.003 0.000 1.128 67 G N 0.679 109.483 108.800 0.006 0.000 2.213 67 G HA2 -0.173 3.788 3.960 0.002 0.000 0.226 67 G HA3 -0.173 3.788 3.960 0.002 0.000 0.226 67 G C 0.169 175.073 174.900 0.008 0.000 0.992 67 G CA -0.363 44.740 45.100 0.005 0.000 0.632 67 G HN 0.605 nan 8.290 nan 0.000 0.511 68 E N 0.452 120.658 120.200 0.011 0.000 2.404 68 E HA 0.483 4.834 4.350 0.002 0.000 0.261 68 E C 0.685 177.295 176.600 0.016 0.000 1.074 68 E CA 0.482 56.891 56.400 0.015 0.000 0.917 68 E CB 1.172 30.885 29.700 0.022 0.000 0.965 68 E HN 0.725 nan 8.360 nan 0.000 0.433 69 A N 4.159 126.989 122.820 0.016 0.000 3.215 69 A HA 0.057 4.378 4.320 0.002 0.000 0.269 69 A C 1.382 178.978 177.584 0.020 0.000 1.517 69 A CA -0.388 51.657 52.037 0.015 0.000 1.221 69 A CB -0.796 18.210 19.000 0.010 0.000 1.160 69 A HN 0.513 nan 8.150 nan 0.000 0.620 70 I N -1.593 118.994 120.570 0.029 0.000 2.530 70 I HA -0.132 4.039 4.170 0.002 0.000 0.257 70 I C 1.547 177.690 176.117 0.043 0.000 1.179 70 I CA 1.852 63.181 61.300 0.048 0.000 1.440 70 I CB -1.885 36.150 38.000 0.058 0.000 1.087 70 I HN 0.278 nan 8.210 nan 0.000 0.440 71 G N 2.184 110.999 108.800 0.026 0.000 2.433 71 G HA2 -0.155 3.806 3.960 0.002 0.000 0.216 71 G HA3 -0.155 3.806 3.960 0.002 0.000 0.216 71 G C 1.655 176.557 174.900 0.004 0.000 1.186 71 G CA 0.902 46.011 45.100 0.016 0.000 0.779 71 G HN 0.355 nan 8.290 nan 0.000 0.543 72 I N 1.612 122.183 120.570 0.001 0.000 2.252 72 I HA -0.117 4.054 4.170 0.002 0.000 0.245 72 I C 3.117 179.217 176.117 -0.028 0.000 1.102 72 I CA 1.319 62.614 61.300 -0.009 0.000 1.385 72 I CB -1.063 36.936 38.000 -0.002 0.000 1.064 72 I HN 0.222 nan 8.210 nan 0.000 0.414 73 V N -0.540 119.359 119.914 -0.026 0.000 2.970 73 V HA 0.021 4.142 4.120 0.002 0.000 0.260 73 V C 2.447 178.436 176.094 -0.175 0.000 1.100 73 V CA 1.276 63.537 62.300 -0.066 0.000 1.122 73 V CB -1.018 30.793 31.823 -0.019 0.000 0.721 73 V HN 0.250 nan 8.190 nan 0.000 0.483 74 A N 0.858 123.614 122.820 -0.106 0.000 1.861 74 A HA 0.301 4.622 4.320 0.002 0.000 0.212 74 A C 2.542 180.049 177.584 -0.128 0.000 1.199 74 A CA 1.788 53.736 52.037 -0.148 0.000 0.613 74 A CB -1.193 17.840 19.000 0.054 0.000 0.846 74 A HN 0.907 nan 8.150 nan 0.000 0.446 75 A N -0.354 122.430 122.820 -0.059 0.000 1.881 75 A HA -0.341 3.980 4.320 0.002 0.000 0.219 75 A C 2.144 179.691 177.584 -0.061 0.000 1.215 75 A CA 2.205 54.218 52.037 -0.041 0.000 0.648 75 A CB -0.972 18.015 19.000 -0.022 0.000 0.832 75 A HN 0.654 nan 8.150 nan 0.000 0.455 76 Q N -0.359 119.397 119.800 -0.074 0.000 2.014 76 Q HA -0.200 4.141 4.340 0.002 0.000 0.207 76 Q C 2.503 178.441 176.000 -0.102 0.000 0.993 76 Q CA 2.458 58.217 55.803 -0.073 0.000 0.850 76 Q CB -0.350 28.346 28.738 -0.069 0.000 0.916 76 Q HN 0.885 nan 8.270 nan 0.000 0.417 77 S N -0.354 115.230 115.700 -0.193 0.000 2.469 77 S HA -0.081 4.390 4.470 0.002 0.000 0.238 77 S C 1.815 176.335 174.600 -0.134 0.000 0.998 77 S CA 1.003 59.068 58.200 -0.225 0.000 0.957 77 S CB -0.000 62.873 63.200 -0.544 0.000 0.764 77 S HN 0.206 nan 8.310 nan 0.000 0.514 78 V N 1.120 120.972 119.914 -0.103 0.000 3.307 78 V HA 0.331 4.452 4.120 0.002 0.000 0.253 78 V C 2.085 178.168 176.094 -0.019 0.000 1.149 78 V CA 1.188 63.468 62.300 -0.033 0.000 1.112 78 V CB -0.032 31.786 31.823 -0.009 0.000 0.777 78 V HN 0.593 nan 8.190 nan 0.000 0.464 79 G N -1.018 107.766 108.800 -0.026 0.000 2.595 79 G HA2 -0.116 3.845 3.960 0.002 0.000 0.213 79 G HA3 -0.116 3.845 3.960 0.002 0.000 0.213 79 G C 1.294 176.187 174.900 -0.013 0.000 1.141 79 G CA 0.665 45.758 45.100 -0.012 0.000 0.806 79 G HN 0.547 nan 8.290 nan 0.000 0.530 80 E N 1.320 121.506 120.200 -0.023 0.000 2.065 80 E HA -0.168 4.183 4.350 0.002 0.000 0.201 80 E C -0.187 176.408 176.600 -0.009 0.000 1.016 80 E CA 1.564 57.953 56.400 -0.018 0.000 0.818 80 E CB -0.502 29.181 29.700 -0.029 0.000 0.749 80 E HN 0.318 nan 8.360 nan 0.000 0.453 81 P HA -0.076 nan 4.420 nan 0.000 0.216 81 P C 1.387 178.688 177.300 0.001 0.000 1.153 81 P CA 1.896 64.996 63.100 -0.000 0.000 0.848 81 P CB -0.463 31.239 31.700 0.004 0.000 0.787 82 G N -0.362 108.439 108.800 0.001 0.000 2.657 82 G HA2 -0.344 3.617 3.960 0.002 0.000 0.224 82 G HA3 -0.344 3.617 3.960 0.002 0.000 0.224 82 G C 1.433 176.335 174.900 0.003 0.000 1.086 82 G CA 1.991 47.093 45.100 0.003 0.000 0.730 82 G HN 0.383 nan 8.290 nan 0.000 0.602 83 T N -1.506 113.049 114.554 0.002 0.000 2.770 83 T HA 0.086 4.437 4.350 0.002 0.000 0.258 83 T C 1.483 176.184 174.700 0.002 0.000 1.039 83 T CA 0.846 62.947 62.100 0.002 0.000 1.143 83 T CB -0.126 68.743 68.868 0.001 0.000 0.866 83 T HN 0.392 nan 8.240 nan 0.000 0.428 103 G N -0.368 108.431 108.800 -0.000 0.000 2.600 103 G HA2 0.076 4.037 3.960 0.002 0.000 0.103 103 G HA3 0.076 4.037 3.960 0.002 0.000 0.103 103 G C -0.242 174.659 174.900 0.002 0.000 1.090 103 G CA 0.093 45.194 45.100 0.001 0.000 1.090 103 G HN -0.019 nan 8.290 nan 0.000 0.500 104 L N 1.848 123.073 121.223 0.003 0.000 2.083 104 L HA 0.080 4.421 4.340 0.002 0.000 0.209 104 L C -0.240 176.632 176.870 0.004 0.000 1.083 104 L CA 2.777 57.619 54.840 0.004 0.000 0.752 104 L CB -1.577 40.484 42.059 0.004 0.000 0.899 104 L HN 0.270 nan 8.230 nan 0.000 0.433 105 P HA -0.133 nan 4.420 nan 0.000 0.219 105 P C 1.459 178.759 177.300 -0.000 0.000 1.150 105 P CA 1.053 64.154 63.100 0.001 0.000 0.814 105 P CB -0.093 31.606 31.700 -0.000 0.000 0.787 106 R N -0.085 120.415 120.500 -0.000 0.000 2.115 106 R HA -0.027 4.314 4.340 0.002 0.000 0.230 106 R C 2.123 178.423 176.300 0.000 0.000 1.111 106 R CA 1.104 57.203 56.100 -0.002 0.000 0.976 106 R CB -1.533 28.766 30.300 -0.002 0.000 0.870 106 R HN 0.130 nan 8.270 nan 0.000 0.445 107 L N -0.256 120.969 121.223 0.003 0.000 2.093 107 L HA -0.015 4.326 4.340 0.002 0.000 0.208 107 L C 1.882 178.756 176.870 0.007 0.000 1.085 107 L CA 1.222 56.065 54.840 0.006 0.000 0.755 107 L CB -0.074 41.989 42.059 0.007 0.000 0.904 107 L HN 0.249 nan 8.230 nan 0.000 0.435 108 I N -0.846 119.728 120.570 0.007 0.000 2.676 108 I HA -0.213 3.958 4.170 0.002 0.000 0.259 108 I C 2.203 178.322 176.117 0.004 0.000 1.194 108 I CA 0.771 62.077 61.300 0.009 0.000 1.473 108 I CB -0.195 37.811 38.000 0.010 0.000 1.096 108 I HN 0.294 nan 8.210 nan 0.000 0.443 109 E N 0.987 121.187 120.200 -0.000 0.000 2.028 109 E HA -0.202 4.149 4.350 0.002 0.000 0.190 109 E C 2.293 178.890 176.600 -0.005 0.000 0.984 109 E CA 1.179 57.575 56.400 -0.006 0.000 0.800 109 E CB -0.016 29.679 29.700 -0.008 0.000 0.758 109 E HN 0.472 nan 8.360 nan 0.000 0.448 110 I N 0.515 121.084 120.570 -0.001 0.000 2.394 110 I HA -0.167 4.004 4.170 0.002 0.000 0.251 110 I C 2.111 178.232 176.117 0.006 0.000 1.136 110 I CA 0.728 62.029 61.300 0.001 0.000 1.425 110 I CB 0.273 38.274 38.000 0.002 0.000 1.079 110 I HN -0.051 nan 8.210 nan 0.000 0.425 111 V N 0.344 120.264 119.914 0.009 0.000 3.541 111 V HA -0.036 4.085 4.120 0.002 0.000 0.267 111 V C -0.073 176.033 176.094 0.020 0.000 1.213 111 V CA 1.159 63.469 62.300 0.015 0.000 1.149 111 V CB -0.527 31.306 31.823 0.017 0.000 0.822 111 V HN 0.360 nan 8.190 nan 0.000 0.462 112 D N -0.222 120.185 120.400 0.011 0.000 2.980 112 D HA 0.649 5.290 4.640 0.002 0.000 0.333 112 D C 0.912 177.197 176.300 -0.025 0.000 1.356 112 D CA 0.730 54.732 54.000 0.004 0.000 0.847 112 D CB 0.834 41.633 40.800 -0.001 0.000 1.122 112 D HN 0.324 nan 8.370 nan 0.000 0.475 113 A N 0.801 123.618 122.820 -0.006 0.000 4.832 113 A HA -0.384 3.937 4.320 0.002 0.000 0.351 113 A C 0.704 178.267 177.584 -0.035 0.000 1.699 113 A CA 1.664 53.690 52.037 -0.018 0.000 0.731 113 A CB -1.286 17.682 19.000 -0.053 0.000 1.480 113 A HN 0.463 nan 8.150 nan 0.000 0.447 114 K N -1.647 118.712 120.400 -0.068 0.000 7.076 114 K HA -0.131 4.189 4.320 0.002 0.000 0.747 114 K C 0.338 176.916 176.600 -0.036 0.000 2.505 114 K CA 1.521 57.776 56.287 -0.053 0.000 1.814 114 K CB -0.378 32.101 32.500 -0.035 0.000 2.142 114 K HN 0.872 nan 8.250 nan 0.000 0.274 115 K N 1.688 122.067 120.400 -0.036 0.000 2.098 115 K HA 0.052 4.373 4.320 0.002 0.000 0.203 115 K C 0.141 176.730 176.600 -0.019 0.000 1.051 115 K CA 1.278 57.551 56.287 -0.022 0.000 0.957 115 K CB 0.393 32.881 32.500 -0.020 0.000 0.738 115 K HN 0.429 nan 8.250 nan 0.000 0.447 116 V N 1.178 121.079 119.914 -0.022 0.000 2.444 116 V HA 0.517 4.638 4.120 0.002 0.000 0.294 116 V C -2.695 173.387 176.094 -0.020 0.000 1.022 116 V CA -2.320 59.967 62.300 -0.021 0.000 0.850 116 V CB 1.226 33.035 31.823 -0.022 0.000 0.992 116 V HN 0.062 nan 8.190 nan 0.000 0.426 117 P HA 0.483 nan 4.420 nan 0.000 0.304 117 P C -0.375 176.916 177.300 -0.015 0.000 1.310 117 P CA -0.679 62.411 63.100 -0.016 0.000 0.796 117 P CB 1.236 32.927 31.700 -0.015 0.000 1.297 118 S N -0.246 115.446 115.700 -0.012 0.000 2.455 118 S HA 0.298 4.769 4.470 0.002 0.000 0.278 118 S C -0.360 174.234 174.600 -0.010 0.000 1.216 118 S CA 0.202 58.396 58.200 -0.011 0.000 1.055 118 S CB -1.093 62.102 63.200 -0.008 0.000 0.939 118 S HN 0.591 nan 8.310 nan 0.000 0.494 119 T N 3.185 117.733 114.554 -0.011 0.000 3.245 119 T HA -0.078 4.273 4.350 0.002 0.000 0.434 119 T C -2.895 171.797 174.700 -0.013 0.000 0.770 119 T CA -0.577 61.517 62.100 -0.011 0.000 2.278 119 T CB -1.620 67.243 68.868 -0.008 0.000 1.692 119 T HN 0.414 nan 8.240 nan 0.000 0.677 120 P HA 0.502 nan 4.420 nan 0.000 0.280 120 P C 0.044 177.334 177.300 -0.017 0.000 1.386 120 P CA -0.317 62.773 63.100 -0.017 0.000 0.899 120 P CB 0.475 32.163 31.700 -0.020 0.000 1.098 121 M N 3.179 122.770 119.600 -0.016 0.000 2.478 121 M HA 0.544 5.025 4.480 0.002 0.000 0.327 121 M C 0.232 176.522 176.300 -0.017 0.000 1.187 121 M CA -0.250 55.040 55.300 -0.016 0.000 1.022 121 M CB 1.543 34.135 32.600 -0.015 0.000 1.629 121 M HN 0.120 nan 8.290 nan 0.000 0.461 122 M N 1.896 121.486 119.600 -0.016 0.000 2.165 122 M HA 0.278 4.758 4.480 0.002 0.000 0.283 122 M C -0.760 175.528 176.300 -0.021 0.000 0.978 122 M CA -0.695 54.596 55.300 -0.014 0.000 0.948 122 M CB 2.178 34.773 32.600 -0.007 0.000 1.599 122 M HN 0.698 nan 8.290 nan 0.000 0.450 123 T N 1.860 116.400 114.554 -0.023 0.000 2.762 123 T HA 0.547 4.898 4.350 0.002 0.000 0.303 123 T C -0.171 174.488 174.700 -0.069 0.000 0.977 123 T CA -0.727 61.337 62.100 -0.060 0.000 0.961 123 T CB 0.202 69.034 68.868 -0.060 0.000 0.944 123 T HN 0.410 nan 8.240 nan 0.000 0.481 124 I N 3.655 124.168 120.570 -0.095 0.000 2.396 124 I HA 0.333 4.504 4.170 0.002 0.000 0.292 124 I C -0.141 175.885 176.117 -0.152 0.000 0.999 124 I CA -1.084 60.191 61.300 -0.042 0.000 1.310 124 I CB 0.558 38.557 38.000 -0.003 0.000 1.404 124 I HN 0.642 nan 8.210 nan 0.000 0.496 125 Y N 5.131 125.453 120.300 0.036 0.000 2.419 125 Y HA 0.430 4.981 4.550 0.002 0.000 0.328 125 Y C 0.213 176.148 175.900 0.058 0.000 1.162 125 Y CA -0.511 57.614 58.100 0.042 0.000 1.174 125 Y CB 1.553 40.035 38.460 0.037 0.000 1.228 125 Y HN 0.319 nan 8.280 nan 0.000 0.473 126 L N 3.937 125.294 121.223 0.223 0.000 2.426 126 L HA 0.245 4.585 4.340 0.002 0.000 0.255 126 L C 0.329 177.312 176.870 0.189 0.000 1.080 126 L CA -0.411 54.533 54.840 0.173 0.000 0.960 126 L CB -0.410 41.736 42.059 0.146 0.000 1.326 126 L HN 1.084 nan 8.230 nan 0.000 0.441 127 T N -1.299 113.361 114.554 0.176 0.000 1.267 127 T HA -0.337 4.014 4.350 0.002 0.000 0.760 127 T C 0.624 175.401 174.700 0.127 0.000 0.998 127 T CA 1.476 63.670 62.100 0.157 0.000 3.981 127 T CB -0.359 68.634 68.868 0.208 0.000 2.261 127 T HN 0.524 nan 8.240 nan 0.000 0.400 128 D N 0.619 121.077 120.400 0.096 0.000 2.455 128 D HA 0.362 5.003 4.640 0.002 0.000 0.228 128 D C 0.911 177.207 176.300 -0.005 0.000 1.070 128 D CA 0.343 54.371 54.000 0.046 0.000 0.881 128 D CB 0.267 41.080 40.800 0.022 0.000 1.087 128 D HN 0.631 nan 8.370 nan 0.000 0.498 129 E N -0.945 119.213 120.200 -0.070 0.000 2.259 129 E HA 0.298 4.649 4.350 0.002 0.000 0.257 129 E C -0.529 175.926 176.600 -0.242 0.000 0.998 129 E CA -0.648 55.532 56.400 -0.367 0.000 0.866 129 E CB 0.682 29.866 29.700 -0.860 0.000 1.220 129 E HN -0.024 nan 8.360 nan 0.000 0.415 130 Y N -1.168 119.181 120.300 0.082 0.000 4.851 130 Y HA -0.340 4.211 4.550 0.002 0.000 0.235 130 Y C 1.320 177.283 175.900 0.106 0.000 0.998 130 Y CA 1.169 59.318 58.100 0.081 0.000 1.980 130 Y CB -1.496 37.000 38.460 0.059 0.000 1.561 130 Y HN 0.494 nan 8.280 nan 0.000 0.585 131 K N -0.667 119.846 120.400 0.189 0.000 2.166 131 K HA -0.034 4.287 4.320 0.002 0.000 0.201 131 K C 1.617 178.358 176.600 0.236 0.000 1.052 131 K CA 0.564 56.964 56.287 0.190 0.000 0.969 131 K CB 0.089 32.678 32.500 0.148 0.000 0.761 131 K HN 0.421 nan 8.250 nan 0.000 0.459 132 H N 0.812 119.987 119.070 0.175 0.000 2.681 132 H HA 0.016 4.573 4.556 0.001 0.000 0.206 132 H C -0.138 175.368 175.328 0.298 0.000 1.531 132 H CA 1.267 57.480 56.048 0.275 0.000 1.575 132 H CB 0.224 30.071 29.762 0.141 0.000 1.559 132 H HN 0.209 nan 8.280 nan 0.000 0.804 133 D N -1.340 119.399 120.400 0.565 0.000 10.448 133 D HA -0.177 4.464 4.640 0.002 0.000 0.360 133 D C 0.250 176.530 176.300 -0.032 0.000 3.024 133 D CA 1.425 55.571 54.000 0.244 0.000 2.424 133 D CB 0.070 40.958 40.800 0.146 0.000 1.149 133 D HN 0.570 nan 8.370 nan 0.000 1.024 134 K N -0.143 120.167 120.400 -0.149 0.000 2.412 134 K HA 0.174 4.495 4.320 0.002 0.000 0.201 134 K C 1.661 178.131 176.600 -0.218 0.000 1.275 134 K CA 0.113 56.176 56.287 -0.372 0.000 0.910 134 K CB 0.046 32.400 32.500 -0.244 0.000 1.346 134 K HN 0.365 nan 8.250 nan 0.000 0.490 135 E N 1.497 121.636 120.200 -0.101 0.000 2.150 135 E HA -0.100 4.251 4.350 0.002 0.000 0.193 135 E C 1.644 178.219 176.600 -0.041 0.000 0.985 135 E CA 0.876 57.241 56.400 -0.060 0.000 0.814 135 E CB 0.217 29.902 29.700 -0.026 0.000 0.752 135 E HN 0.104 nan 8.360 nan 0.000 0.466 136 K N 0.386 120.775 120.400 -0.019 0.000 2.097 136 K HA -0.050 4.271 4.320 0.002 0.000 0.205 136 K C 2.113 178.717 176.600 0.006 0.000 1.050 136 K CA 0.986 57.286 56.287 0.022 0.000 0.938 136 K CB -0.196 32.360 32.500 0.093 0.000 0.718 136 K HN 0.063 nan 8.250 nan 0.000 0.442 137 A N 1.266 124.063 122.820 -0.038 0.000 1.969 137 A HA -0.071 4.250 4.320 0.002 0.000 0.218 137 A C 2.161 179.721 177.584 -0.040 0.000 1.169 137 A CA 1.090 53.105 52.037 -0.035 0.000 0.635 137 A CB -0.438 18.499 19.000 -0.105 0.000 0.810 137 A HN 0.174 nan 8.150 nan 0.000 0.445 138 L N -1.286 119.900 121.223 -0.060 0.000 2.446 138 L HA 0.015 4.356 4.340 0.002 0.000 0.219 138 L C 2.202 179.057 176.870 -0.026 0.000 1.116 138 L CA 0.548 55.360 54.840 -0.046 0.000 0.844 138 L CB -0.246 41.777 42.059 -0.060 0.000 0.970 138 L HN 0.395 nan 8.230 nan 0.000 0.457 139 E N -0.233 119.955 120.200 -0.020 0.000 2.216 139 E HA -0.114 4.237 4.350 0.002 0.000 0.192 139 E C 2.161 178.756 176.600 -0.009 0.000 0.988 139 E CA 0.729 57.120 56.400 -0.014 0.000 0.834 139 E CB 0.245 29.937 29.700 -0.013 0.000 0.772 139 E HN 0.268 nan 8.360 nan 0.000 0.479 140 V N 0.944 120.856 119.914 -0.003 0.000 2.488 140 V HA -0.131 3.990 4.120 0.002 0.000 0.246 140 V C 2.274 178.371 176.094 0.006 0.000 1.046 140 V CA 1.502 63.804 62.300 0.004 0.000 1.053 140 V CB -0.439 31.392 31.823 0.013 0.000 0.679 140 V HN 0.265 nan 8.190 nan 0.000 0.458 141 A N 1.704 124.524 122.820 0.001 0.000 1.972 141 A HA -0.237 4.084 4.320 0.002 0.000 0.219 141 A C 2.359 179.946 177.584 0.005 0.000 1.169 141 A CA 2.019 54.058 52.037 0.002 0.000 0.635 141 A CB -0.493 18.504 19.000 -0.006 0.000 0.810 141 A HN 0.707 nan 8.150 nan 0.000 0.446 142 R N -1.586 118.913 120.500 -0.001 0.000 2.193 142 R HA 0.070 4.411 4.340 0.002 0.000 0.213 142 R C 1.418 177.719 176.300 0.002 0.000 1.055 142 R CA 1.145 57.244 56.100 -0.002 0.000 0.995 142 R CB -0.151 30.143 30.300 -0.010 0.000 0.893 142 R HN 0.107 nan 8.270 nan 0.000 0.459 143 K N 0.843 121.246 120.400 0.006 0.000 2.400 143 K HA 0.161 4.482 4.320 0.002 0.000 0.194 143 K C 1.803 178.422 176.600 0.031 0.000 1.033 143 K CA 0.393 56.686 56.287 0.011 0.000 1.021 143 K CB 0.266 32.769 32.500 0.006 0.000 0.808 143 K HN 0.282 nan 8.250 nan 0.000 0.505 144 L N 0.033 121.278 121.223 0.035 0.000 2.221 144 L HA 0.010 4.351 4.340 0.002 0.000 0.202 144 L C 1.884 178.803 176.870 0.082 0.000 1.074 144 L CA 0.539 55.411 54.840 0.053 0.000 0.795 144 L CB -0.248 41.833 42.059 0.037 0.000 0.960 144 L HN 0.081 nan 8.230 nan 0.000 0.458 145 E N -0.007 120.233 120.200 0.066 0.000 2.279 145 E HA -0.312 4.039 4.350 0.002 0.000 0.205 145 E C -0.285 176.417 176.600 0.170 0.000 1.028 145 E CA 1.207 57.657 56.400 0.083 0.000 0.830 145 E CB -0.185 29.543 29.700 0.047 0.000 0.736 145 E HN 0.333 nan 8.360 nan 0.000 0.478 146 Y N 0.533 120.832 120.300 -0.001 0.000 2.798 146 Y HA -0.269 4.282 4.550 0.002 0.000 0.088 146 Y C -1.125 174.775 175.900 0.001 0.000 1.901 146 Y CA 0.530 58.630 58.100 0.001 0.000 1.157 146 Y CB -1.214 37.247 38.460 0.002 0.000 1.804 146 Y HN -0.190 nan 8.280 nan 0.000 0.304 147 T N 7.238 121.640 114.554 -0.253 0.000 2.733 147 T HA 0.379 4.730 4.350 0.002 0.000 0.294 147 T C 0.187 174.702 174.700 -0.308 0.000 0.956 147 T CA -0.878 61.113 62.100 -0.182 0.000 0.987 147 T CB 1.078 69.883 68.868 -0.105 0.000 0.920 147 T HN 0.394 nan 8.240 nan 0.000 0.470 148 K N 1.912 122.200 120.400 -0.186 0.000 2.102 148 K HA 0.316 4.637 4.320 0.002 0.000 0.244 148 K C 0.964 177.516 176.600 -0.081 0.000 1.021 148 K CA -0.769 55.435 56.287 -0.138 0.000 0.913 148 K CB 0.698 33.198 32.500 0.001 0.000 1.062 148 K HN 0.315 nan 8.250 nan 0.000 0.485 149 I N 1.803 122.339 120.570 -0.056 0.000 2.614 149 I HA -0.168 4.003 4.170 0.002 0.000 0.258 149 I C 1.772 177.880 176.117 -0.015 0.000 1.189 149 I CA 1.369 62.649 61.300 -0.033 0.000 1.462 149 I CB -0.286 37.701 38.000 -0.021 0.000 1.092 149 I HN 0.634 nan 8.210 nan 0.000 0.442 150 E N 0.101 120.299 120.200 -0.002 0.000 2.204 150 E HA -0.204 4.146 4.350 0.002 0.000 0.195 150 E C 1.473 178.077 176.600 0.007 0.000 0.990 150 E CA 1.019 57.424 56.400 0.009 0.000 0.821 150 E CB -0.103 29.612 29.700 0.024 0.000 0.750 150 E HN 0.517 nan 8.360 nan 0.000 0.477 151 N N -0.320 118.381 118.700 0.001 0.000 2.446 151 N HA -0.075 4.666 4.740 0.002 0.000 0.179 151 N C 1.350 176.855 175.510 -0.007 0.000 1.054 151 N CA 0.293 53.344 53.050 0.002 0.000 0.905 151 N CB 0.447 38.936 38.487 0.003 0.000 0.973 151 N HN -0.018 nan 8.380 nan 0.000 0.448 152 V N -0.704 119.202 119.914 -0.014 0.000 3.431 152 V HA 0.258 4.379 4.120 0.002 0.000 0.253 152 V C 0.358 176.445 176.094 -0.011 0.000 1.184 152 V CA 0.076 62.367 62.300 -0.015 0.000 1.104 152 V CB 0.400 32.209 31.823 -0.023 0.000 0.799 152 V HN 0.004 nan 8.190 nan 0.000 0.462 153 V N 0.931 120.839 119.914 -0.009 0.000 2.539 153 V HA 0.467 4.588 4.120 0.002 0.000 0.292 153 V C 1.289 177.381 176.094 -0.003 0.000 1.045 153 V CA 0.887 63.183 62.300 -0.007 0.000 0.945 153 V CB 1.996 33.814 31.823 -0.008 0.000 0.993 153 V HN 0.566 nan 8.190 nan 0.000 0.464 154 S N 3.022 118.720 115.700 -0.003 0.000 2.514 154 S HA 0.246 4.717 4.470 0.002 0.000 0.223 154 S C 0.468 175.068 174.600 0.001 0.000 1.046 154 S CA 0.338 58.538 58.200 0.000 0.000 0.914 154 S CB 0.175 63.375 63.200 -0.000 0.000 0.807 154 S HN 1.216 nan 8.310 nan 0.000 0.497 155 S N 0.389 116.088 115.700 -0.002 0.000 2.540 155 S HA 0.746 5.217 4.470 0.002 0.000 0.275 155 S C -1.092 173.503 174.600 -0.008 0.000 1.123 155 S CA -0.602 57.597 58.200 -0.002 0.000 0.907 155 S CB 1.925 65.124 63.200 -0.001 0.000 1.081 155 S HN 0.133 nan 8.310 nan 0.000 0.476 156 T N 2.025 116.574 114.554 -0.010 0.000 2.916 156 T HA 0.825 5.176 4.350 0.002 0.000 0.298 156 T C -0.770 173.911 174.700 -0.031 0.000 1.031 156 T CA -0.722 61.363 62.100 -0.025 0.000 0.993 156 T CB 1.658 70.508 68.868 -0.029 0.000 1.045 156 T HN 1.075 nan 8.240 nan 0.000 0.454 157 S N 1.797 117.466 115.700 -0.051 0.000 2.564 157 S HA 0.819 5.290 4.470 0.002 0.000 0.274 157 S C -1.057 173.482 174.600 -0.102 0.000 1.124 157 S CA -0.974 57.192 58.200 -0.056 0.000 0.869 157 S CB 1.127 64.309 63.200 -0.030 0.000 1.105 157 S HN 0.623 nan 8.310 nan 0.000 0.472 158 I N 1.423 121.919 120.570 -0.124 0.000 2.404 158 I HA 0.401 4.572 4.170 0.002 0.000 0.293 158 I C -1.163 174.897 176.117 -0.095 0.000 0.992 158 I CA -0.572 60.628 61.300 -0.167 0.000 1.149 158 I CB 1.695 39.510 38.000 -0.309 0.000 1.315 158 I HN 0.574 nan 8.210 nan 0.000 0.446 159 D N 6.654 127.003 120.400 -0.084 0.000 2.460 159 D HA 0.340 4.981 4.640 0.002 0.000 0.268 159 D C 1.188 177.466 176.300 -0.036 0.000 1.153 159 D CA -0.284 53.691 54.000 -0.043 0.000 0.929 159 D CB 0.991 41.776 40.800 -0.026 0.000 1.015 159 D HN 0.361 nan 8.370 nan 0.000 0.502 160 I N 1.210 121.761 120.570 -0.031 0.000 2.143 160 I HA -0.382 3.789 4.170 0.002 0.000 0.245 160 I C 2.523 178.660 176.117 0.033 0.000 1.068 160 I CA 1.384 62.671 61.300 -0.021 0.000 1.326 160 I CB -0.326 37.675 38.000 0.003 0.000 1.028 160 I HN 0.324 nan 8.210 nan 0.000 0.412 161 A N 0.476 123.323 122.820 0.045 0.000 1.899 161 A HA -0.340 3.981 4.320 0.002 0.000 0.230 161 A C 1.243 178.918 177.584 0.151 0.000 1.593 161 A CA 3.070 55.151 52.037 0.073 0.000 0.728 161 A CB -0.904 18.124 19.000 0.046 0.000 0.848 161 A HN 0.765 nan 8.150 nan 0.000 0.490 162 S N -5.337 110.468 115.700 0.176 0.000 2.508 162 S HA 0.546 5.016 4.470 0.002 0.000 0.182 162 S C -0.254 174.491 174.600 0.242 0.000 0.683 162 S CA -0.064 58.350 58.200 0.356 0.000 0.912 162 S CB 0.052 63.356 63.200 0.173 0.000 1.441 162 S HN 0.350 nan 8.310 nan 0.000 0.414 163 M N 1.136 120.837 119.600 0.169 0.000 1.921 163 M HA 0.373 4.854 4.480 0.002 0.000 0.174 163 M C -0.069 176.200 176.300 -0.051 0.000 1.839 163 M CA 0.391 55.731 55.300 0.066 0.000 0.912 163 M CB -0.522 32.077 32.600 -0.001 0.000 1.551 163 M HN 0.550 nan 8.290 nan 0.000 0.619 164 S N 0.335 115.928 115.700 -0.178 0.000 3.025 164 S HA 0.564 5.035 4.470 0.002 0.000 0.251 164 S C -0.194 174.301 174.600 -0.174 0.000 0.954 164 S CA -0.267 57.836 58.200 -0.162 0.000 1.092 164 S CB 1.107 64.169 63.200 -0.230 0.000 1.079 164 S HN 0.286 nan 8.310 nan 0.000 0.543 165 I N 1.907 122.380 120.570 -0.161 0.000 2.534 165 I HA 0.501 4.672 4.170 0.002 0.000 0.288 165 I C -1.215 174.835 176.117 -0.111 0.000 1.077 165 I CA -0.690 60.515 61.300 -0.159 0.000 1.051 165 I CB 2.083 39.971 38.000 -0.187 0.000 1.234 165 I HN 0.136 nan 8.210 nan 0.000 0.425 166 I N 7.132 127.645 120.570 -0.095 0.000 2.410 166 I HA 0.373 4.544 4.170 0.002 0.000 0.286 166 I C -1.148 174.936 176.117 -0.054 0.000 1.009 166 I CA -0.642 60.620 61.300 -0.063 0.000 1.111 166 I CB 1.664 39.635 38.000 -0.049 0.000 1.262 166 I HN 0.244 nan 8.210 nan 0.000 0.443 167 L N 6.664 127.862 121.223 -0.041 0.000 2.322 167 L HA 0.458 4.799 4.340 0.002 0.000 0.281 167 L C -0.270 176.587 176.870 -0.020 0.000 1.014 167 L CA -0.291 54.531 54.840 -0.030 0.000 0.815 167 L CB 1.496 43.539 42.059 -0.026 0.000 1.247 167 L HN 0.481 nan 8.230 nan 0.000 0.421 168 Q N 2.703 122.493 119.800 -0.016 0.000 2.394 168 Q HA 0.284 4.625 4.340 0.002 0.000 0.259 168 Q C 0.364 176.358 176.000 -0.009 0.000 1.021 168 Q CA -0.626 55.170 55.803 -0.012 0.000 0.805 168 Q CB 1.795 30.527 28.738 -0.010 0.000 1.226 168 Q HN 0.524 nan 8.270 nan 0.000 0.476 169 L N 1.367 122.585 121.223 -0.009 0.000 2.201 169 L HA -0.096 4.245 4.340 0.002 0.000 0.212 169 L C 0.107 176.973 176.870 -0.007 0.000 1.105 169 L CA 1.184 56.019 54.840 -0.008 0.000 0.775 169 L CB -0.403 41.651 42.059 -0.008 0.000 0.913 169 L HN 0.757 nan 8.230 nan 0.000 0.440 170 D N -1.054 119.342 120.400 -0.006 0.000 6.013 170 D HA -0.213 4.428 4.640 0.002 0.000 0.242 170 D C 1.191 177.488 176.300 -0.005 0.000 1.609 170 D CA 0.642 54.639 54.000 -0.004 0.000 1.473 170 D CB 0.133 40.931 40.800 -0.003 0.000 0.711 170 D HN 0.372 nan 8.370 nan 0.000 0.388 171 N N 3.987 122.685 118.700 -0.004 0.000 2.096 171 N HA -0.321 4.420 4.740 0.002 0.000 0.198 171 N C 1.211 176.718 175.510 -0.005 0.000 1.017 171 N CA 2.280 55.327 53.050 -0.004 0.000 0.889 171 N CB -0.500 37.985 38.487 -0.003 0.000 1.081 171 N HN 0.767 nan 8.380 nan 0.000 0.549 172 E N -0.663 119.535 120.200 -0.004 0.000 2.510 172 E HA -0.068 4.283 4.350 0.002 0.000 0.202 172 E C 1.402 177.999 176.600 -0.005 0.000 1.072 172 E CA 0.266 56.663 56.400 -0.004 0.000 0.883 172 E CB -0.180 29.519 29.700 -0.003 0.000 0.818 172 E HN 0.341 nan 8.360 nan 0.000 0.548 173 M N -0.209 119.388 119.600 -0.005 0.000 2.506 173 M HA -0.032 4.449 4.480 0.002 0.000 0.260 173 M C 0.844 177.139 176.300 -0.009 0.000 1.104 173 M CA 0.980 56.277 55.300 -0.006 0.000 1.112 173 M CB 0.476 33.073 32.600 -0.005 0.000 1.401 173 M HN 0.025 nan 8.290 nan 0.000 0.473 174 L N -2.640 118.577 121.223 -0.010 0.000 2.781 174 L HA 0.326 4.667 4.340 0.002 0.000 0.245 174 L C 1.661 178.524 176.870 -0.012 0.000 1.118 174 L CA 0.300 55.132 54.840 -0.013 0.000 0.918 174 L CB -1.177 40.875 42.059 -0.013 0.000 1.246 174 L HN 0.039 nan 8.230 nan 0.000 0.526 175 K N 0.486 120.881 120.400 -0.009 0.000 1.975 175 K HA -0.059 4.262 4.320 0.002 0.000 0.210 175 K C 0.384 176.979 176.600 -0.009 0.000 1.041 175 K CA 0.825 57.107 56.287 -0.009 0.000 0.942 175 K CB 0.015 32.511 32.500 -0.007 0.000 0.729 175 K HN 0.161 nan 8.250 nan 0.000 0.439 176 D N 1.201 121.596 120.400 -0.008 0.000 2.368 176 D HA -0.021 4.620 4.640 0.002 0.000 0.268 176 D C -0.339 175.956 176.300 -0.009 0.000 1.298 176 D CA 0.930 54.925 54.000 -0.008 0.000 0.938 176 D CB 0.379 41.176 40.800 -0.005 0.000 1.101 176 D HN 0.328 nan 8.370 nan 0.000 0.509 177 K N 1.316 121.710 120.400 -0.011 0.000 3.242 177 K HA -0.091 4.229 4.320 0.002 0.000 0.223 177 K C 0.936 177.527 176.600 -0.016 0.000 1.242 177 K CA 0.385 56.665 56.287 -0.012 0.000 0.857 177 K CB -1.371 31.121 32.500 -0.013 0.000 1.859 177 K HN 0.531 nan 8.250 nan 0.000 0.595 178 G N 0.844 109.635 108.800 -0.015 0.000 2.195 178 G HA2 -0.271 3.690 3.960 0.002 0.000 0.246 178 G HA3 -0.271 3.690 3.960 0.002 0.000 0.246 178 G C 0.022 174.912 174.900 -0.018 0.000 0.984 178 G CA 0.157 45.247 45.100 -0.016 0.000 0.633 178 G HN 0.485 nan 8.290 nan 0.000 0.525 179 V N 2.542 122.444 119.914 -0.020 0.000 2.479 179 V HA 0.532 4.653 4.120 0.002 0.000 0.281 179 V C 0.969 177.053 176.094 -0.017 0.000 1.031 179 V CA 1.227 63.513 62.300 -0.022 0.000 1.038 179 V CB 0.869 32.676 31.823 -0.027 0.000 0.981 179 V HN 0.457 nan 8.190 nan 0.000 0.478 180 T N 5.298 119.842 114.554 -0.016 0.000 3.419 180 T HA 0.200 4.551 4.350 0.002 0.000 0.228 180 T C 0.406 175.099 174.700 -0.012 0.000 0.939 180 T CA 0.084 62.177 62.100 -0.013 0.000 0.992 180 T CB -0.583 68.278 68.868 -0.012 0.000 1.186 180 T HN 1.028 nan 8.240 nan 0.000 0.612 181 V N 1.427 121.333 119.914 -0.012 0.000 5.691 181 V HA -0.197 3.924 4.120 0.002 0.000 0.288 181 V C 0.751 176.839 176.094 -0.011 0.000 0.615 181 V CA 0.775 63.068 62.300 -0.011 0.000 0.619 181 V CB -1.680 30.139 31.823 -0.007 0.000 0.296 181 V HN 0.721 nan 8.190 nan 0.000 0.834 182 D N 0.017 120.408 120.400 -0.016 0.000 2.336 182 D HA -0.002 4.639 4.640 0.002 0.000 0.229 182 D C 1.542 177.832 176.300 -0.017 0.000 1.061 182 D CA 0.449 54.439 54.000 -0.017 0.000 0.875 182 D CB 0.214 41.000 40.800 -0.022 0.000 0.904 182 D HN 0.634 nan 8.370 nan 0.000 0.525 183 D N 0.676 121.067 120.400 -0.014 0.000 2.158 183 D HA -0.136 4.505 4.640 0.002 0.000 0.197 183 D C 2.061 178.362 176.300 0.001 0.000 0.995 183 D CA 0.626 54.621 54.000 -0.009 0.000 0.846 183 D CB 0.207 41.004 40.800 -0.006 0.000 0.941 183 D HN 0.116 nan 8.370 nan 0.000 0.456 184 V N 1.146 121.062 119.914 0.003 0.000 2.626 184 V HA -0.213 3.908 4.120 0.002 0.000 0.252 184 V C 2.107 178.203 176.094 0.003 0.000 1.067 184 V CA 1.604 63.910 62.300 0.010 0.000 1.081 184 V CB -0.206 31.622 31.823 0.008 0.000 0.686 184 V HN 0.090 nan 8.190 nan 0.000 0.468 185 K N -0.500 119.896 120.400 -0.007 0.000 2.057 185 K HA -0.096 4.225 4.320 0.002 0.000 0.206 185 K C 2.061 178.648 176.600 -0.022 0.000 1.050 185 K CA 1.048 57.326 56.287 -0.015 0.000 0.935 185 K CB -0.154 32.335 32.500 -0.019 0.000 0.715 185 K HN 0.248 nan 8.250 nan 0.000 0.439 186 K N 0.594 120.982 120.400 -0.019 0.000 2.439 186 K HA 0.019 4.339 4.320 0.002 0.000 0.197 186 K C 1.800 178.389 176.600 -0.019 0.000 1.041 186 K CA 0.641 56.914 56.287 -0.023 0.000 0.970 186 K CB -0.153 32.334 32.500 -0.021 0.000 0.773 186 K HN 0.138 nan 8.250 nan 0.000 0.479 187 A N 1.261 124.081 122.820 -0.000 0.000 1.845 187 A HA -0.150 4.171 4.320 0.002 0.000 0.215 187 A C 2.164 179.693 177.584 -0.091 0.000 1.195 187 A CA 1.458 53.508 52.037 0.020 0.000 0.616 187 A CB -0.494 18.549 19.000 0.072 0.000 0.832 187 A HN 0.167 nan 8.150 nan 0.000 0.443 188 I N 0.194 120.719 120.570 -0.075 0.000 2.233 188 I HA -0.183 3.988 4.170 0.002 0.000 0.243 188 I C 2.228 178.275 176.117 -0.117 0.000 1.093 188 I CA 1.208 62.441 61.300 -0.111 0.000 1.380 188 I CB -0.606 37.357 38.000 -0.062 0.000 1.067 188 I HN 0.396 nan 8.210 nan 0.000 0.413 189 N N 0.818 119.471 118.700 -0.079 0.000 2.334 189 N HA -0.191 4.550 4.740 0.002 0.000 0.187 189 N C 1.705 177.166 175.510 -0.082 0.000 1.016 189 N CA 1.013 54.023 53.050 -0.067 0.000 0.879 189 N CB 0.215 38.675 38.487 -0.046 0.000 0.965 189 N HN 0.230 nan 8.380 nan 0.000 0.438 190 R N 0.066 120.497 120.500 -0.114 0.000 1.222 190 R HA 0.288 4.629 4.340 0.002 0.000 0.089 190 R C 1.791 177.981 176.300 -0.184 0.000 1.314 190 R CA -0.211 55.816 56.100 -0.122 0.000 2.025 190 R CB -0.832 29.408 30.300 -0.099 0.000 0.991 190 R HN 0.014 nan 8.270 nan 0.000 0.686 191 L N 0.456 121.511 121.223 -0.281 0.000 2.606 191 L HA 0.205 4.546 4.340 0.002 0.000 0.147 191 L C 0.274 176.852 176.870 -0.486 0.000 1.620 191 L CA 0.050 54.708 54.840 -0.303 0.000 3.110 191 L CB -0.059 41.869 42.059 -0.219 0.000 3.027 191 L HN 0.535 nan 8.230 nan 0.000 0.899 192 K N -1.158 118.881 120.400 -0.601 0.000 3.269 192 K HA 0.101 4.422 4.320 0.002 0.000 0.128 192 K C -0.933 175.616 176.600 -0.085 0.000 1.363 192 K CA -0.233 55.710 56.287 -0.574 0.000 0.740 192 K CB -1.693 30.643 32.500 -0.274 0.000 1.045 192 K HN 0.170 nan 8.250 nan 0.000 0.360 193 L N 2.487 123.766 121.223 0.095 0.000 3.359 193 L HA -0.047 4.294 4.340 0.002 0.000 0.303 193 L C 1.476 178.486 176.870 0.233 0.000 1.333 193 L CA 1.542 56.518 54.840 0.228 0.000 1.193 193 L CB -0.923 41.325 42.059 0.315 0.000 1.490 193 L HN 0.774 nan 8.230 nan 0.000 0.419 194 G N 0.532 109.417 108.800 0.141 0.000 2.291 194 G HA2 -0.299 3.662 3.960 0.002 0.000 0.287 194 G HA3 -0.299 3.662 3.960 0.002 0.000 0.287 194 G C 0.714 175.696 174.900 0.137 0.000 0.998 194 G CA 1.101 46.268 45.100 0.113 0.000 0.728 194 G HN 0.601 nan 8.290 nan 0.000 0.519 195 E N -2.055 118.282 120.200 0.229 0.000 4.500 195 E HA 0.504 4.855 4.350 0.002 0.000 0.170 195 E C 0.411 177.178 176.600 0.278 0.000 1.197 195 E CA -0.540 55.961 56.400 0.169 0.000 0.777 195 E CB -0.127 29.586 29.700 0.022 0.000 2.333 195 E HN 0.471 nan 8.360 nan 0.000 0.479 196 F N 0.459 120.410 119.950 0.002 0.000 2.197 196 F HA -0.156 4.372 4.527 0.002 0.000 0.364 196 F C -0.675 175.129 175.800 0.006 0.000 1.124 196 F CA -0.080 57.919 58.000 -0.002 0.000 1.235 196 F CB -0.991 38.006 39.000 -0.006 0.000 1.829 196 F HN -0.037 nan 8.300 nan 0.000 0.763 197 V N 5.200 125.166 119.914 0.087 0.000 2.577 197 V HA 0.500 4.621 4.120 0.002 0.000 0.303 197 V C 0.137 176.258 176.094 0.046 0.000 1.042 197 V CA -0.943 61.402 62.300 0.074 0.000 0.872 197 V CB 2.207 34.063 31.823 0.055 0.000 0.998 197 V HN 0.318 nan 8.190 nan 0.000 0.423 198 I N 3.701 124.304 120.570 0.055 0.000 2.342 198 I HA 0.393 4.564 4.170 0.002 0.000 0.291 198 I C -0.313 175.818 176.117 0.022 0.000 1.010 198 I CA -0.082 61.241 61.300 0.038 0.000 1.308 198 I CB 1.331 39.358 38.000 0.045 0.000 1.400 198 I HN 0.593 nan 8.210 nan 0.000 0.488 199 D N 6.391 126.797 120.400 0.011 0.000 2.462 199 D HA 0.208 4.849 4.640 0.002 0.000 0.249 199 D C 0.007 176.309 176.300 0.003 0.000 1.117 199 D CA -0.242 53.763 54.000 0.007 0.000 0.900 199 D CB 0.806 41.609 40.800 0.004 0.000 1.039 199 D HN 0.422 nan 8.370 nan 0.000 0.516 200 E N 1.107 121.310 120.200 0.005 0.000 2.104 200 E HA 0.147 4.498 4.350 0.002 0.000 0.278 200 E C 0.403 177.003 176.600 0.001 0.000 1.127 200 E CA -0.005 56.396 56.400 0.002 0.000 0.897 200 E CB 1.014 30.716 29.700 0.003 0.000 1.043 200 E HN 0.192 nan 8.360 nan 0.000 0.410 201 S N 3.027 118.726 115.700 -0.001 0.000 2.343 201 S HA 0.046 4.517 4.470 0.002 0.000 0.155 201 S C -0.018 174.580 174.600 -0.002 0.000 1.261 201 S CA 0.059 58.258 58.200 -0.002 0.000 2.081 201 S CB 0.127 63.325 63.200 -0.003 0.000 0.460 201 S HN 0.423 nan 8.310 nan 0.000 0.370 202 E N -0.278 119.920 120.200 -0.003 0.000 2.373 202 E HA 0.523 4.874 4.350 0.002 0.000 0.251 202 E C -0.084 176.514 176.600 -0.004 0.000 0.923 202 E CA 0.182 56.580 56.400 -0.003 0.000 0.798 202 E CB 0.996 30.694 29.700 -0.002 0.000 1.303 202 E HN 0.711 nan 8.360 nan 0.000 0.412 203 G N 2.751 111.549 108.800 -0.004 0.000 2.153 203 G HA2 -0.283 3.678 3.960 0.002 0.000 0.252 203 G HA3 -0.283 3.678 3.960 0.002 0.000 0.252 203 G C -0.162 174.734 174.900 -0.006 0.000 0.994 203 G CA -0.096 45.001 45.100 -0.005 0.000 0.698 203 G HN 0.386 nan 8.290 nan 0.000 0.521 204 N N -0.388 118.308 118.700 -0.006 0.000 2.229 204 N HA 0.704 5.445 4.740 0.002 0.000 0.298 204 N C -0.851 174.654 175.510 -0.008 0.000 1.114 204 N CA -0.172 52.873 53.050 -0.008 0.000 0.776 204 N CB 2.025 40.507 38.487 -0.009 0.000 1.501 204 N HN 0.090 nan 8.380 nan 0.000 0.474 205 T N 1.242 115.789 114.554 -0.012 0.000 2.879 205 T HA 0.572 4.923 4.350 0.002 0.000 0.290 205 T C -0.344 174.344 174.700 -0.020 0.000 0.993 205 T CA -0.451 61.643 62.100 -0.010 0.000 0.975 205 T CB 1.146 70.011 68.868 -0.005 0.000 0.981 205 T HN 0.127 nan 8.240 nan 0.000 0.439 206 L N 3.197 124.409 121.223 -0.019 0.000 2.334 206 L HA 0.649 4.990 4.340 0.002 0.000 0.270 206 L C 0.119 176.965 176.870 -0.040 0.000 1.018 206 L CA -0.737 54.084 54.840 -0.032 0.000 0.811 206 L CB 1.156 43.203 42.059 -0.020 0.000 1.271 206 L HN 0.504 nan 8.230 nan 0.000 0.443 207 N N 1.584 120.239 118.700 -0.075 0.000 2.295 207 N HA 0.444 5.185 4.740 0.002 0.000 0.293 207 N C -1.263 174.170 175.510 -0.128 0.000 1.040 207 N CA -0.478 52.501 53.050 -0.118 0.000 0.840 207 N CB 2.501 40.864 38.487 -0.207 0.000 1.468 207 N HN 0.307 nan 8.380 nan 0.000 0.478 208 I N 1.568 122.085 120.570 -0.089 0.000 2.352 208 I HA 0.225 4.396 4.170 0.002 0.000 0.290 208 I C 0.157 176.214 176.117 -0.100 0.000 1.036 208 I CA 0.063 61.349 61.300 -0.023 0.000 1.336 208 I CB 0.201 38.235 38.000 0.057 0.000 1.407 208 I HN 0.277 nan 8.210 nan 0.000 0.497 209 S N 6.629 122.237 115.700 -0.153 0.000 2.776 209 S HA 0.690 5.161 4.470 0.002 0.000 0.284 209 S C -0.692 173.617 174.600 -0.485 0.000 1.160 209 S CA -0.324 57.715 58.200 -0.269 0.000 1.051 209 S CB 1.284 64.259 63.200 -0.376 0.000 1.037 209 S HN 0.444 nan 8.310 nan 0.000 0.485 210 F N 0.646 120.570 119.950 -0.044 0.000 4.112 210 F HA 0.759 5.287 4.527 0.002 0.000 0.305 210 F C 0.951 176.745 175.800 -0.011 0.000 1.347 210 F CA -0.079 57.905 58.000 -0.026 0.000 0.924 210 F CB -0.199 38.788 39.000 -0.022 0.000 1.862 210 F HN 0.566 nan 8.300 nan 0.000 0.462 211 A N 0.080 123.056 122.820 0.260 0.000 3.562 211 A HA -0.152 4.169 4.320 0.002 0.000 0.232 211 A C 0.889 178.535 177.584 0.102 0.000 1.178 211 A CA 1.197 53.312 52.037 0.129 0.000 1.500 211 A CB -2.029 17.026 19.000 0.091 0.000 1.009 211 A HN 1.159 nan 8.150 nan 0.000 0.862 212 N N -3.168 115.612 118.700 0.135 0.000 2.811 212 N HA -0.201 4.540 4.740 0.002 0.000 0.211 212 N C 0.038 175.585 175.510 0.061 0.000 0.990 212 N CA 2.191 55.298 53.050 0.096 0.000 1.362 212 N CB -1.231 37.296 38.487 0.067 0.000 0.940 212 N HN 1.350 nan 8.380 nan 0.000 0.572 213 I N 1.867 122.467 120.570 0.051 0.000 2.924 213 I HA 0.236 4.407 4.170 0.002 0.000 0.316 213 I C 0.185 176.318 176.117 0.026 0.000 1.014 213 I CA 0.334 61.654 61.300 0.034 0.000 1.106 213 I CB 1.211 39.230 38.000 0.031 0.000 1.311 213 I HN 0.512 nan 8.210 nan 0.000 0.502 214 D N 0.760 121.171 120.400 0.018 0.000 3.018 214 D HA -0.223 4.418 4.640 0.002 0.000 0.224 214 D C -0.283 176.012 176.300 -0.008 0.000 1.185 214 D CA 1.220 55.228 54.000 0.012 0.000 0.858 214 D CB -1.854 38.959 40.800 0.022 0.000 1.112 214 D HN 0.642 nan 8.370 nan 0.000 0.415 215 S N -1.145 114.546 115.700 -0.016 0.000 2.973 215 S HA 0.763 5.234 4.470 0.002 0.000 0.317 215 S C -0.399 174.181 174.600 -0.034 0.000 1.196 215 S CA -0.710 57.459 58.200 -0.052 0.000 0.894 215 S CB 1.376 64.510 63.200 -0.110 0.000 1.292 215 S HN 0.837 nan 8.310 nan 0.000 0.614 216 I N 0.752 121.288 120.570 -0.057 0.000 7.071 216 I HA 0.176 4.347 4.170 0.002 0.000 0.126 216 I C 0.158 176.269 176.117 -0.009 0.000 1.834 216 I CA 0.282 61.568 61.300 -0.024 0.000 2.037 216 I CB -1.720 36.285 38.000 0.008 0.000 3.591 216 I HN 1.791 nan 8.210 nan 0.000 0.169 217 A N 3.760 126.576 122.820 -0.007 0.000 3.571 217 A HA 0.460 4.781 4.320 0.002 0.000 0.203 217 A C -0.189 177.422 177.584 0.045 0.000 1.300 217 A CA 0.374 52.423 52.037 0.020 0.000 1.173 217 A CB -1.302 17.711 19.000 0.022 0.000 0.812 217 A HN 2.337 nan 8.150 nan 0.000 0.391 218 A N -0.550 122.312 122.820 0.069 0.000 2.269 218 A HA 0.626 4.947 4.320 0.002 0.000 0.302 218 A C 0.096 177.736 177.584 0.094 0.000 1.266 218 A CA 0.083 52.213 52.037 0.156 0.000 0.894 218 A CB -0.120 18.976 19.000 0.159 0.000 1.147 218 A HN 1.282 nan 8.150 nan 0.000 0.537 219 L N 2.633 123.875 121.223 0.032 0.000 2.769 219 L HA 0.280 4.621 4.340 0.002 0.000 0.240 219 L C 0.938 177.733 176.870 -0.125 0.000 1.163 219 L CA 0.650 55.434 54.840 -0.094 0.000 0.962 219 L CB -0.780 41.158 42.059 -0.202 0.000 1.258 219 L HN 0.793 nan 8.230 nan 0.000 0.513 220 F N 0.119 120.048 119.950 -0.035 0.000 2.365 220 F HA -0.097 4.431 4.527 0.002 0.000 0.300 220 F C 2.098 177.888 175.800 -0.016 0.000 1.090 220 F CA 1.103 59.089 58.000 -0.024 0.000 1.408 220 F CB -0.277 38.712 39.000 -0.018 0.000 1.060 220 F HN 0.039 nan 8.300 nan 0.000 0.534 221 K N -0.334 120.155 120.400 0.149 0.000 2.366 221 K HA -0.038 4.283 4.320 0.002 0.000 0.198 221 K C 1.648 178.273 176.600 0.042 0.000 1.044 221 K CA 0.508 56.845 56.287 0.083 0.000 0.973 221 K CB -0.112 32.427 32.500 0.065 0.000 0.767 221 K HN 0.228 nan 8.250 nan 0.000 0.475 222 L N 0.510 121.737 121.223 0.005 0.000 2.179 222 L HA -0.043 4.298 4.340 0.002 0.000 0.208 222 L C 2.047 178.908 176.870 -0.015 0.000 1.096 222 L CA 1.333 56.161 54.840 -0.020 0.000 0.779 222 L CB -0.126 41.880 42.059 -0.087 0.000 0.922 222 L HN -0.005 nan 8.230 nan 0.000 0.443 223 R N -0.688 119.796 120.500 -0.028 0.000 2.148 223 R HA -0.138 4.203 4.340 0.002 0.000 0.223 223 R C 1.628 177.942 176.300 0.022 0.000 1.088 223 R CA 0.976 57.066 56.100 -0.018 0.000 0.985 223 R CB -0.289 29.992 30.300 -0.032 0.000 0.880 223 R HN 0.234 nan 8.270 nan 0.000 0.451 224 D N 0.747 121.172 120.400 0.040 0.000 2.310 224 D HA -0.110 4.531 4.640 0.002 0.000 0.212 224 D C 1.247 177.573 176.300 0.043 0.000 0.965 224 D CA 1.195 55.223 54.000 0.046 0.000 0.879 224 D CB 0.304 41.135 40.800 0.050 0.000 0.921 224 D HN 0.131 nan 8.370 nan 0.000 0.510 225 K N -0.701 119.725 120.400 0.044 0.000 2.141 225 K HA 0.137 4.458 4.320 0.002 0.000 0.202 225 K C 2.233 178.863 176.600 0.050 0.000 1.045 225 K CA 0.324 56.641 56.287 0.051 0.000 0.971 225 K CB 0.251 32.792 32.500 0.068 0.000 0.795 225 K HN 0.130 nan 8.250 nan 0.000 0.459 226 I N 1.082 121.681 120.570 0.048 0.000 2.226 226 I HA -0.274 3.897 4.170 0.002 0.000 0.245 226 I C 1.838 177.970 176.117 0.024 0.000 1.100 226 I CA 1.267 62.593 61.300 0.045 0.000 1.374 226 I CB -0.139 37.875 38.000 0.023 0.000 1.057 226 I HN 0.027 nan 8.210 nan 0.000 0.413 227 L N -0.129 121.105 121.223 0.019 0.000 2.189 227 L HA 0.034 4.375 4.340 0.002 0.000 0.199 227 L C 2.035 178.919 176.870 0.024 0.000 1.074 227 L CA 1.438 56.287 54.840 0.015 0.000 0.783 227 L CB -0.699 41.368 42.059 0.015 0.000 0.955 227 L HN 0.085 nan 8.230 nan 0.000 0.460 228 N N -1.048 117.673 118.700 0.036 0.000 2.173 228 N HA -0.097 4.644 4.740 0.002 0.000 0.184 228 N C 1.369 176.915 175.510 0.060 0.000 1.025 228 N CA 1.514 54.595 53.050 0.051 0.000 0.852 228 N CB -0.236 38.282 38.487 0.053 0.000 0.998 228 N HN 0.154 nan 8.380 nan 0.000 0.427 229 T N 0.144 114.728 114.554 0.049 0.000 3.148 229 T HA 0.087 4.438 4.350 0.002 0.000 0.253 229 T C 0.450 175.168 174.700 0.030 0.000 1.134 229 T CA 0.407 62.537 62.100 0.050 0.000 1.051 229 T CB 0.092 68.985 68.868 0.043 0.000 0.959 229 T HN 0.069 nan 8.240 nan 0.000 0.525 230 K N 1.379 121.786 120.400 0.012 0.000 2.201 230 K HA 0.543 4.864 4.320 0.002 0.000 0.278 230 K C -0.589 175.966 176.600 -0.076 0.000 1.027 230 K CA -0.335 55.941 56.287 -0.019 0.000 0.909 230 K CB 0.987 33.480 32.500 -0.011 0.000 1.062 230 K HN 0.181 nan 8.250 nan 0.000 0.465 231 I N 2.117 122.623 120.570 -0.106 0.000 3.133 231 I HA 0.250 4.421 4.170 0.002 0.000 0.311 231 I C 0.834 176.831 176.117 -0.200 0.000 1.072 231 I CA -0.459 60.706 61.300 -0.225 0.000 1.015 231 I CB 1.726 39.617 38.000 -0.181 0.000 1.233 231 I HN 0.588 nan 8.210 nan 0.000 0.473 232 K N 0.867 121.104 120.400 -0.271 0.000 2.665 232 K HA 0.278 4.599 4.320 0.002 0.000 0.197 232 K C 0.520 177.041 176.600 -0.131 0.000 1.463 232 K CA 0.333 56.519 56.287 -0.168 0.000 1.107 232 K CB 1.109 33.516 32.500 -0.155 0.000 1.584 232 K HN 0.790 nan 8.250 nan 0.000 0.558 233 G N 1.252 109.952 108.800 -0.167 0.000 3.345 233 G HA2 0.327 4.288 3.960 0.002 0.000 0.202 233 G HA3 0.327 4.288 3.960 0.002 0.000 0.202 233 G C 0.730 175.645 174.900 0.025 0.000 1.740 233 G CA -0.249 44.820 45.100 -0.051 0.000 0.806 233 G HN -0.098 nan 8.290 nan 0.000 0.718 234 I N -0.956 119.705 120.570 0.151 0.000 6.083 234 I HA 0.538 4.709 4.170 0.002 0.000 0.233 234 I C -0.109 176.234 176.117 0.377 0.000 0.777 234 I CA 0.163 61.581 61.300 0.197 0.000 2.217 234 I CB -0.283 37.789 38.000 0.120 0.000 1.396 234 I HN 0.189 nan 8.210 nan 0.000 0.490 235 K N -1.093 119.432 120.400 0.210 0.000 2.551 235 K HA 0.523 4.844 4.320 0.002 0.000 0.269 235 K C 0.098 176.587 176.600 -0.186 0.000 0.949 235 K CA 0.315 56.584 56.287 -0.031 0.000 0.849 235 K CB 1.610 34.104 32.500 -0.010 0.000 1.411 235 K HN 0.591 nan 8.250 nan 0.000 0.432 236 G N 1.813 110.373 108.800 -0.402 0.000 2.451 236 G HA2 -0.334 3.627 3.960 0.002 0.000 0.253 236 G HA3 -0.334 3.627 3.960 0.002 0.000 0.253 236 G C 0.240 175.032 174.900 -0.181 0.000 1.033 236 G CA 0.951 45.895 45.100 -0.260 0.000 0.633 236 G HN 0.769 nan 8.290 nan 0.000 0.537 237 I N 0.856 121.357 120.570 -0.114 0.000 2.322 237 I HA 0.495 4.666 4.170 0.002 0.000 0.292 237 I C 1.408 177.518 176.117 -0.011 0.000 1.060 237 I CA -0.375 60.902 61.300 -0.038 0.000 1.309 237 I CB 0.689 38.692 38.000 0.004 0.000 1.415 237 I HN 0.231 nan 8.210 nan 0.000 0.492 238 K N 6.465 126.856 120.400 -0.015 0.000 2.432 238 K HA 0.137 4.458 4.320 0.002 0.000 0.196 238 K C 0.517 177.143 176.600 0.042 0.000 1.038 238 K CA 0.195 56.493 56.287 0.018 0.000 0.986 238 K CB 0.174 32.675 32.500 0.001 0.000 0.782 238 K HN 0.692 nan 8.250 nan 0.000 0.485 239 R N -0.137 120.382 120.500 0.031 0.000 2.725 239 R HA 0.369 4.709 4.340 0.002 0.000 0.254 239 R C -2.191 174.121 176.300 0.019 0.000 1.076 239 R CA -0.290 55.828 56.100 0.029 0.000 0.940 239 R CB 1.856 32.168 30.300 0.020 0.000 1.260 239 R HN 0.143 nan 8.270 nan 0.000 0.466 240 A N 5.427 128.258 122.820 0.018 0.000 2.343 240 A HA 0.700 5.021 4.320 0.002 0.000 0.308 240 A C -0.828 176.758 177.584 0.003 0.000 1.092 240 A CA -0.697 51.346 52.037 0.009 0.000 0.751 240 A CB 0.900 19.908 19.000 0.014 0.000 1.203 240 A HN 0.443 nan 8.150 nan 0.000 0.452 241 I N 1.362 121.930 120.570 -0.004 0.000 3.023 241 I HA 0.615 4.786 4.170 0.002 0.000 0.312 241 I C -0.534 175.578 176.117 -0.008 0.000 1.056 241 I CA -1.020 60.277 61.300 -0.005 0.000 1.033 241 I CB 1.721 39.718 38.000 -0.005 0.000 1.233 241 I HN 0.276 nan 8.210 nan 0.000 0.462 242 V N 3.143 123.055 119.914 -0.002 0.000 2.482 242 V HA 0.385 4.506 4.120 0.002 0.000 0.295 242 V C -0.278 175.834 176.094 0.031 0.000 1.026 242 V CA -0.642 61.664 62.300 0.010 0.000 0.856 242 V CB 1.653 33.476 31.823 0.001 0.000 1.001 242 V HN 0.690 nan 8.190 nan 0.000 0.424 243 Q N 2.671 122.487 119.800 0.027 0.000 2.297 243 Q HA 0.636 4.977 4.340 0.002 0.000 0.268 243 Q C -1.158 174.864 176.000 0.036 0.000 1.045 243 Q CA -1.083 54.735 55.803 0.025 0.000 0.861 243 Q CB 2.938 31.672 28.738 -0.007 0.000 1.344 243 Q HN 0.512 nan 8.270 nan 0.000 0.452 244 K N 1.556 121.971 120.400 0.025 0.000 2.394 244 K HA 0.257 4.578 4.320 0.002 0.000 0.260 244 K C -0.092 176.481 176.600 -0.043 0.000 0.967 244 K CA -0.214 56.069 56.287 -0.008 0.000 0.855 244 K CB 1.039 33.566 32.500 0.045 0.000 1.101 244 K HN 0.589 nan 8.250 nan 0.000 0.433 245 K N 0.265 120.614 120.400 -0.085 0.000 2.804 245 K HA 0.115 4.436 4.320 0.002 0.000 0.187 245 K C 0.424 176.939 176.600 -0.141 0.000 2.305 245 K CA -0.148 56.045 56.287 -0.157 0.000 1.426 245 K CB -0.015 32.280 32.500 -0.341 0.000 2.580 245 K HN 0.567 nan 8.250 nan 0.000 0.527 246 G N 2.652 111.379 108.800 -0.121 0.000 2.325 246 G HA2 -0.185 3.776 3.960 0.002 0.000 0.248 246 G HA3 -0.185 3.776 3.960 0.002 0.000 0.248 246 G C 0.060 174.891 174.900 -0.116 0.000 1.108 246 G CA 1.204 46.254 45.100 -0.083 0.000 0.881 246 G HN 0.663 nan 8.290 nan 0.000 0.494 247 D N -1.491 118.807 120.400 -0.170 0.000 2.554 247 D HA -0.174 4.467 4.640 0.002 0.000 0.178 247 D C 0.377 176.411 176.300 -0.444 0.000 1.054 247 D CA 2.732 56.623 54.000 -0.182 0.000 1.052 247 D CB -0.760 40.019 40.800 -0.035 0.000 1.112 247 D HN 0.921 nan 8.370 nan 0.000 0.448 248 E N -1.092 118.830 120.200 -0.462 0.000 2.314 248 E HA 0.401 4.752 4.350 0.002 0.000 0.272 248 E C -1.036 175.275 176.600 -0.482 0.000 0.884 248 E CA -0.830 55.246 56.400 -0.540 0.000 0.753 248 E CB 1.225 30.823 29.700 -0.169 0.000 1.213 248 E HN 0.090 nan 8.360 nan 0.000 0.432 249 Y N 1.869 122.053 120.300 -0.193 0.000 2.359 249 Y HA 0.316 4.867 4.550 0.002 0.000 0.334 249 Y C 0.225 176.056 175.900 -0.115 0.000 1.058 249 Y CA -0.082 57.940 58.100 -0.131 0.000 1.244 249 Y CB 0.384 38.781 38.460 -0.104 0.000 1.187 249 Y HN 0.260 nan 8.280 nan 0.000 0.510 250 I N 4.959 125.524 120.570 -0.008 0.000 2.498 250 I HA 0.372 4.543 4.170 0.002 0.000 0.290 250 I C -0.644 175.418 176.117 -0.093 0.000 1.032 250 I CA -0.816 60.399 61.300 -0.142 0.000 1.073 250 I CB 1.851 39.673 38.000 -0.297 0.000 1.251 250 I HN 0.417 nan 8.210 nan 0.000 0.426 251 I N 6.505 127.016 120.570 -0.099 0.000 2.365 251 I HA 0.355 4.526 4.170 0.002 0.000 0.291 251 I C -0.579 175.494 176.117 -0.073 0.000 1.004 251 I CA -0.470 60.795 61.300 -0.058 0.000 1.311 251 I CB 0.868 38.850 38.000 -0.030 0.000 1.401 251 I HN 0.256 nan 8.210 nan 0.000 0.491 252 L N 5.884 127.078 121.223 -0.048 0.000 2.349 252 L HA 0.553 4.894 4.340 0.002 0.000 0.278 252 L C -0.063 176.793 176.870 -0.022 0.000 0.996 252 L CA -0.591 54.225 54.840 -0.041 0.000 0.825 252 L CB 1.776 43.812 42.059 -0.039 0.000 1.243 252 L HN 0.609 nan 8.230 nan 0.000 0.412 253 T N -3.150 111.394 114.554 -0.017 0.000 2.885 253 T HA 0.350 4.701 4.350 0.002 0.000 0.285 253 T C 0.050 174.745 174.700 -0.008 0.000 1.019 253 T CA -0.819 61.276 62.100 -0.008 0.000 1.010 253 T CB 2.103 70.968 68.868 -0.003 0.000 1.022 253 T HN 0.409 nan 8.240 nan 0.000 0.466 254 D N 1.505 121.902 120.400 -0.005 0.000 2.325 254 D HA 0.281 4.922 4.640 0.002 0.000 0.234 254 D C 0.761 177.054 176.300 -0.011 0.000 1.122 254 D CA 0.225 54.222 54.000 -0.006 0.000 0.850 254 D CB -0.039 40.760 40.800 -0.002 0.000 0.921 254 D HN 0.833 nan 8.370 nan 0.000 0.513 255 G N -0.434 108.358 108.800 -0.014 0.000 2.612 255 G HA2 0.451 4.412 3.960 0.002 0.000 0.298 255 G HA3 0.451 4.412 3.960 0.002 0.000 0.298 255 G C -0.882 174.005 174.900 -0.021 0.000 1.336 255 G CA -0.744 44.342 45.100 -0.024 0.000 0.953 255 G HN 0.006 nan 8.290 nan 0.000 0.482 256 S N 0.546 116.230 115.700 -0.026 0.000 2.594 256 S HA 0.513 4.984 4.470 0.002 0.000 0.322 256 S C -0.571 174.017 174.600 -0.021 0.000 1.085 256 S CA -0.924 57.264 58.200 -0.020 0.000 1.116 256 S CB 1.189 64.377 63.200 -0.020 0.000 0.979 256 S HN 0.554 nan 8.310 nan 0.000 0.465 257 N N 3.733 122.425 118.700 -0.012 0.000 2.707 257 N HA 0.156 4.896 4.740 0.002 0.000 0.249 257 N C 0.049 175.567 175.510 0.014 0.000 1.299 257 N CA -0.365 52.680 53.050 -0.008 0.000 0.769 257 N CB 1.235 39.709 38.487 -0.023 0.000 1.236 257 N HN 0.567 nan 8.380 nan 0.000 0.524 258 L N 2.167 123.405 121.223 0.024 0.000 2.056 258 L HA 0.066 4.407 4.340 0.002 0.000 0.207 258 L C 1.944 178.853 176.870 0.064 0.000 1.078 258 L CA 1.798 56.669 54.840 0.052 0.000 0.749 258 L CB -0.480 41.617 42.059 0.064 0.000 0.901 258 L HN 0.370 nan 8.230 nan 0.000 0.433 259 S N -0.385 115.346 115.700 0.050 0.000 2.400 259 S HA -0.143 4.328 4.470 0.002 0.000 0.232 259 S C 1.814 176.437 174.600 0.038 0.000 1.025 259 S CA 1.189 59.416 58.200 0.045 0.000 0.993 259 S CB -0.800 62.419 63.200 0.031 0.000 0.808 259 S HN 0.702 nan 8.310 nan 0.000 0.478 260 G N 0.540 109.359 108.800 0.032 0.000 2.426 260 G HA2 -0.043 3.918 3.960 0.002 0.000 0.214 260 G HA3 -0.043 3.918 3.960 0.002 0.000 0.214 260 G C 1.348 176.271 174.900 0.037 0.000 1.156 260 G CA 0.471 45.589 45.100 0.030 0.000 0.802 260 G HN 0.430 nan 8.290 nan 0.000 0.534 261 V N 1.085 121.025 119.914 0.042 0.000 2.667 261 V HA -0.017 4.103 4.120 0.002 0.000 0.252 261 V C 2.746 178.872 176.094 0.055 0.000 1.065 261 V CA 0.937 63.266 62.300 0.047 0.000 1.083 261 V CB -0.252 31.600 31.823 0.048 0.000 0.692 261 V HN 0.316 nan 8.190 nan 0.000 0.468 262 L N 0.785 122.045 121.223 0.062 0.000 2.275 262 L HA -0.060 4.281 4.340 0.002 0.000 0.215 262 L C 2.009 178.903 176.870 0.040 0.000 1.119 262 L CA 1.413 56.291 54.840 0.062 0.000 0.790 262 L CB -0.459 41.641 42.059 0.067 0.000 0.919 262 L HN 0.479 nan 8.230 nan 0.000 0.443 263 S N -1.431 114.289 115.700 0.033 0.000 2.685 263 S HA 0.289 4.760 4.470 0.002 0.000 0.240 263 S C 0.105 174.717 174.600 0.020 0.000 0.967 263 S CA -0.564 57.650 58.200 0.022 0.000 1.009 263 S CB -0.311 62.900 63.200 0.019 0.000 0.776 263 S HN -0.008 nan 8.310 nan 0.000 0.467 264 V N 1.527 121.456 119.914 0.024 0.000 2.555 264 V HA 0.430 4.551 4.120 0.002 0.000 0.302 264 V C -0.440 175.662 176.094 0.014 0.000 1.038 264 V CA -1.000 61.311 62.300 0.019 0.000 0.887 264 V CB 1.874 33.713 31.823 0.025 0.000 0.991 264 V HN 0.215 nan 8.190 nan 0.000 0.434 265 K N 2.604 123.003 120.400 -0.002 0.000 2.322 265 K HA 0.576 4.897 4.320 0.002 0.000 0.283 265 K C 0.981 177.572 176.600 -0.016 0.000 1.042 265 K CA 0.838 57.114 56.287 -0.018 0.000 0.958 265 K CB 0.631 33.103 32.500 -0.047 0.000 0.984 265 K HN 1.073 nan 8.250 nan 0.000 0.473 266 G N 0.688 109.487 108.800 -0.001 0.000 2.179 266 G HA2 -0.201 3.760 3.960 0.002 0.000 0.220 266 G HA3 -0.201 3.760 3.960 0.002 0.000 0.220 266 G C -0.296 174.652 174.900 0.081 0.000 0.990 266 G CA -0.282 44.838 45.100 0.034 0.000 0.646 266 G HN 0.400 nan 8.290 nan 0.000 0.517 267 V N 1.424 121.381 119.914 0.072 0.000 2.407 267 V HA 0.490 4.611 4.120 0.002 0.000 0.278 267 V C 0.004 176.163 176.094 0.107 0.000 1.037 267 V CA -0.542 61.813 62.300 0.092 0.000 0.900 267 V CB 1.734 33.605 31.823 0.080 0.000 0.983 267 V HN 0.288 nan 8.190 nan 0.000 0.459 268 D N 4.419 124.900 120.400 0.135 0.000 2.374 268 D HA 0.196 4.837 4.640 0.002 0.000 0.240 268 D C 1.150 177.531 176.300 0.136 0.000 1.229 268 D CA -0.330 53.747 54.000 0.129 0.000 0.895 268 D CB 0.746 41.629 40.800 0.138 0.000 1.046 268 D HN 0.285 nan 8.370 nan 0.000 0.498 269 I N 2.911 123.551 120.570 0.116 0.000 2.335 269 I HA -0.224 3.947 4.170 0.002 0.000 0.251 269 I C 2.080 178.317 176.117 0.200 0.000 1.129 269 I CA 0.798 62.185 61.300 0.145 0.000 1.402 269 I CB -1.351 36.684 38.000 0.059 0.000 1.069 269 I HN 0.423 nan 8.210 nan 0.000 0.424 270 A N 0.249 123.146 122.820 0.129 0.000 2.209 270 A HA -0.085 4.236 4.320 0.002 0.000 0.212 270 A C 1.850 179.500 177.584 0.110 0.000 1.158 270 A CA 0.916 53.026 52.037 0.123 0.000 0.742 270 A CB -0.277 18.757 19.000 0.056 0.000 0.790 270 A HN 0.438 nan 8.150 nan 0.000 0.472 271 K N -0.599 119.865 120.400 0.107 0.000 2.564 271 K HA 0.259 4.579 4.320 0.002 0.000 0.201 271 K C -0.733 175.959 176.600 0.153 0.000 1.086 271 K CA -0.204 56.106 56.287 0.038 0.000 1.062 271 K CB 1.385 33.805 32.500 -0.133 0.000 0.849 271 K HN 0.157 nan 8.250 nan 0.000 0.529 272 V N 2.401 122.412 119.914 0.161 0.000 2.585 272 V HA 0.014 4.135 4.120 0.002 0.000 0.296 272 V C 0.227 176.328 176.094 0.010 0.000 1.035 272 V CA 0.460 62.834 62.300 0.123 0.000 1.084 272 V CB 0.688 32.598 31.823 0.146 0.000 0.953 272 V HN 0.205 nan 8.190 nan 0.000 0.483 273 E N 2.482 122.701 120.200 0.031 0.000 2.234 273 E HA 0.628 4.979 4.350 0.002 0.000 0.266 273 E C -0.989 175.589 176.600 -0.036 0.000 0.877 273 E CA -0.544 55.846 56.400 -0.017 0.000 0.758 273 E CB 2.235 31.966 29.700 0.051 0.000 1.170 273 E HN 0.756 nan 8.360 nan 0.000 0.415 274 T N 1.514 116.025 114.554 -0.071 0.000 2.933 274 T HA 0.135 4.486 4.350 0.002 0.000 0.305 274 T C 0.628 175.297 174.700 -0.051 0.000 1.092 274 T CA -0.994 61.073 62.100 -0.056 0.000 1.008 274 T CB 1.003 69.830 68.868 -0.068 0.000 1.102 274 T HN 0.560 nan 8.240 nan 0.000 0.469 275 N N 1.224 119.904 118.700 -0.034 0.000 2.422 275 N HA -0.042 4.699 4.740 0.002 0.000 0.181 275 N C 0.107 175.601 175.510 -0.027 0.000 1.080 275 N CA 0.102 53.135 53.050 -0.028 0.000 0.893 275 N CB -0.090 38.386 38.487 -0.020 0.000 0.973 275 N HN 0.414 nan 8.380 nan 0.000 0.456 276 N N 1.022 119.704 118.700 -0.029 0.000 2.415 276 N HA 0.195 4.936 4.740 0.002 0.000 0.246 276 N C -0.544 174.951 175.510 -0.025 0.000 1.078 276 N CA -0.431 52.605 53.050 -0.024 0.000 0.942 276 N CB 0.110 38.585 38.487 -0.020 0.000 1.140 276 N HN 0.047 nan 8.380 nan 0.000 0.501 277 I N 2.412 122.970 120.570 -0.020 0.000 3.322 277 I HA 0.244 4.415 4.170 0.002 0.000 0.296 277 I C 1.767 177.882 176.117 -0.004 0.000 1.101 277 I CA -0.299 60.993 61.300 -0.014 0.000 1.166 277 I CB 0.339 38.334 38.000 -0.009 0.000 1.475 277 I HN 0.496 nan 8.210 nan 0.000 0.665 278 R N 0.470 120.974 120.500 0.007 0.000 4.010 278 R HA -0.246 4.095 4.340 0.002 0.000 0.409 278 R C 1.090 177.401 176.300 0.018 0.000 1.120 278 R CA 1.915 58.024 56.100 0.015 0.000 1.244 278 R CB -1.237 29.068 30.300 0.008 0.000 1.799 278 R HN 0.885 nan 8.270 nan 0.000 0.559 279 E N -0.942 119.267 120.200 0.015 0.000 2.354 279 E HA 0.122 4.473 4.350 0.002 0.000 0.203 279 E C 1.764 178.390 176.600 0.042 0.000 0.841 279 E CA 0.026 56.440 56.400 0.024 0.000 1.046 279 E CB 0.158 29.863 29.700 0.009 0.000 1.040 279 E HN 0.127 nan 8.360 nan 0.000 0.504 280 I N 2.290 122.867 120.570 0.012 0.000 2.286 280 I HA -0.225 3.946 4.170 0.002 0.000 0.248 280 I C 2.337 178.510 176.117 0.093 0.000 1.115 280 I CA 1.458 62.761 61.300 0.005 0.000 1.392 280 I CB -1.105 36.839 38.000 -0.093 0.000 1.065 280 I HN 0.333 nan 8.210 nan 0.000 0.418 281 E N 1.057 121.294 120.200 0.060 0.000 2.160 281 E HA -0.242 4.109 4.350 0.002 0.000 0.195 281 E C 1.951 178.600 176.600 0.081 0.000 0.991 281 E CA 1.277 57.718 56.400 0.068 0.000 0.810 281 E CB 0.147 29.874 29.700 0.044 0.000 0.742 281 E HN 0.550 nan 8.360 nan 0.000 0.466 282 E N -0.499 119.749 120.200 0.080 0.000 2.072 282 E HA -0.141 4.210 4.350 0.002 0.000 0.191 282 E C 2.050 178.702 176.600 0.086 0.000 0.985 282 E CA 1.320 57.763 56.400 0.071 0.000 0.801 282 E CB 0.294 30.029 29.700 0.059 0.000 0.750 282 E HN 0.143 nan 8.360 nan 0.000 0.452 283 V N -0.412 119.593 119.914 0.151 0.000 2.581 283 V HA -0.046 4.075 4.120 0.002 0.000 0.240 283 V C 1.321 177.471 176.094 0.094 0.000 1.054 283 V CA 0.949 63.332 62.300 0.138 0.000 1.076 283 V CB -0.083 31.888 31.823 0.247 0.000 0.748 283 V HN 0.143 nan 8.190 nan 0.000 0.474 284 F N 0.626 120.581 119.950 0.009 0.000 2.776 284 F HA 0.557 5.085 4.527 0.001 0.000 0.300 284 F C 1.331 177.135 175.800 0.007 0.000 1.116 284 F CA 0.674 58.679 58.000 0.008 0.000 1.375 284 F CB 0.177 39.183 39.000 0.010 0.000 1.109 284 F HN 0.296 nan 8.300 nan 0.000 0.585 285 G N 0.056 108.948 108.800 0.153 0.000 2.422 285 G HA2 -0.139 3.822 3.960 0.002 0.000 0.607 285 G HA3 -0.139 3.822 3.960 0.002 0.000 0.607 285 G C 0.329 175.274 174.900 0.076 0.000 1.270 285 G CA -0.405 44.747 45.100 0.086 0.000 0.992 285 G HN -0.142 nan 8.290 nan 0.000 0.499 286 I N 0.347 120.948 120.570 0.051 0.000 2.429 286 I HA 0.063 4.234 4.170 0.002 0.000 0.247 286 I C 2.489 178.630 176.117 0.040 0.000 1.099 286 I CA 1.460 62.784 61.300 0.041 0.000 1.422 286 I CB -1.107 36.910 38.000 0.029 0.000 1.112 286 I HN 0.601 nan 8.210 nan 0.000 0.430 287 E N 1.219 121.443 120.200 0.040 0.000 2.274 287 E HA -0.047 4.304 4.350 0.002 0.000 0.194 287 E C 2.190 178.819 176.600 0.048 0.000 0.996 287 E CA 0.983 57.405 56.400 0.037 0.000 0.840 287 E CB 0.136 29.855 29.700 0.032 0.000 0.772 287 E HN 0.418 nan 8.360 nan 0.000 0.491 288 A N 1.115 123.979 122.820 0.074 0.000 1.970 288 A HA 0.075 4.395 4.320 0.002 0.000 0.216 288 A C 2.318 179.933 177.584 0.052 0.000 1.170 288 A CA 1.316 53.411 52.037 0.096 0.000 0.645 288 A CB -0.162 18.960 19.000 0.203 0.000 0.816 288 A HN 0.231 nan 8.150 nan 0.000 0.447 289 A N -0.542 122.307 122.820 0.048 0.000 2.067 289 A HA -0.010 4.311 4.320 0.002 0.000 0.217 289 A C 2.174 179.767 177.584 0.016 0.000 1.156 289 A CA 1.200 53.253 52.037 0.026 0.000 0.683 289 A CB -0.397 18.623 19.000 0.033 0.000 0.808 289 A HN 0.502 nan 8.150 nan 0.000 0.455 290 R N -0.387 120.125 120.500 0.020 0.000 2.066 290 R HA -0.093 4.248 4.340 0.002 0.000 0.232 290 R C 1.869 178.175 176.300 0.009 0.000 1.131 290 R CA 1.359 57.468 56.100 0.015 0.000 0.955 290 R CB -0.174 30.136 30.300 0.016 0.000 0.851 290 R HN 0.417 nan 8.270 nan 0.000 0.432 291 E N 0.674 120.879 120.200 0.009 0.000 2.204 291 E HA -0.156 4.195 4.350 0.002 0.000 0.194 291 E C 1.848 178.443 176.600 -0.009 0.000 0.989 291 E CA 0.503 56.904 56.400 0.002 0.000 0.824 291 E CB -0.009 29.695 29.700 0.006 0.000 0.756 291 E HN 0.319 nan 8.360 nan 0.000 0.477 292 I N 1.230 121.790 120.570 -0.017 0.000 2.286 292 I HA -0.215 3.956 4.170 0.002 0.000 0.245 292 I C 2.024 178.131 176.117 -0.016 0.000 1.104 292 I CA 0.721 62.003 61.300 -0.030 0.000 1.397 292 I CB -0.515 37.453 38.000 -0.053 0.000 1.072 292 I HN 0.005 nan 8.210 nan 0.000 0.417 293 I N 1.186 121.752 120.570 -0.007 0.000 2.151 293 I HA -0.327 3.844 4.170 0.002 0.000 0.243 293 I C 2.661 178.779 176.117 0.002 0.000 1.080 293 I CA 1.744 63.043 61.300 -0.001 0.000 1.339 293 I CB -0.900 37.104 38.000 0.006 0.000 1.039 293 I HN 0.204 nan 8.210 nan 0.000 0.409 294 I N 0.072 120.643 120.570 0.003 0.000 2.252 294 I HA -0.284 3.887 4.170 0.002 0.000 0.245 294 I C 2.786 178.904 176.117 0.002 0.000 1.102 294 I CA 1.102 62.405 61.300 0.005 0.000 1.385 294 I CB -0.374 37.629 38.000 0.004 0.000 1.064 294 I HN 0.131 nan 8.210 nan 0.000 0.414 295 R N 1.064 121.562 120.500 -0.003 0.000 2.061 295 R HA -0.181 4.160 4.340 0.002 0.000 0.230 295 R C 2.184 178.482 176.300 -0.003 0.000 1.140 295 R CA 1.439 57.537 56.100 -0.004 0.000 0.940 295 R CB -0.220 30.073 30.300 -0.010 0.000 0.839 295 R HN 0.078 nan 8.270 nan 0.000 0.429 296 E N -0.029 120.167 120.200 -0.006 0.000 2.333 296 E HA -0.111 4.240 4.350 0.002 0.000 0.198 296 E C 1.437 178.037 176.600 -0.000 0.000 1.007 296 E CA 0.794 57.190 56.400 -0.006 0.000 0.845 296 E CB -0.041 29.653 29.700 -0.011 0.000 0.766 296 E HN 0.330 nan 8.360 nan 0.000 0.507 297 I N -0.441 120.131 120.570 0.004 0.000 2.277 297 I HA -0.162 4.009 4.170 0.002 0.000 0.243 297 I C 1.997 178.120 176.117 0.010 0.000 1.094 297 I CA 0.819 62.124 61.300 0.009 0.000 1.393 297 I CB -0.914 37.095 38.000 0.014 0.000 1.078 297 I HN 0.057 nan 8.210 nan 0.000 0.417 298 S N 0.957 116.663 115.700 0.010 0.000 2.370 298 S HA -0.207 4.264 4.470 0.002 0.000 0.226 298 S C 1.923 176.528 174.600 0.008 0.000 1.033 298 S CA 1.366 59.572 58.200 0.010 0.000 1.011 298 S CB -0.231 62.973 63.200 0.008 0.000 0.852 298 S HN 0.371 nan 8.310 nan 0.000 0.457 299 K N 0.478 120.880 120.400 0.004 0.000 2.152 299 K HA -0.065 4.256 4.320 0.002 0.000 0.206 299 K C 1.954 178.556 176.600 0.004 0.000 1.048 299 K CA 1.075 57.364 56.287 0.003 0.000 0.933 299 K CB -0.230 32.270 32.500 0.000 0.000 0.721 299 K HN 0.185 nan 8.250 nan 0.000 0.447 300 V N 1.099 121.016 119.914 0.005 0.000 2.273 300 V HA -0.200 3.921 4.120 0.002 0.000 0.242 300 V C 2.032 178.130 176.094 0.007 0.000 1.035 300 V CA 1.464 63.767 62.300 0.005 0.000 1.013 300 V CB -0.306 31.520 31.823 0.005 0.000 0.652 300 V HN 0.185 nan 8.190 nan 0.000 0.452 301 L N 0.527 121.756 121.223 0.010 0.000 2.191 301 L HA -0.084 4.257 4.340 0.002 0.000 0.212 301 L C 2.540 179.417 176.870 0.011 0.000 1.103 301 L CA 1.720 56.568 54.840 0.012 0.000 0.769 301 L CB -0.877 41.193 42.059 0.017 0.000 0.908 301 L HN 0.304 nan 8.230 nan 0.000 0.438 302 A N -0.742 122.083 122.820 0.010 0.000 1.897 302 A HA -0.162 4.159 4.320 0.002 0.000 0.215 302 A C 2.380 179.968 177.584 0.007 0.000 1.181 302 A CA 1.236 53.278 52.037 0.009 0.000 0.620 302 A CB -0.387 18.618 19.000 0.008 0.000 0.821 302 A HN 0.357 nan 8.150 nan 0.000 0.443 303 E N 0.018 120.221 120.200 0.006 0.000 2.204 303 E HA -0.180 4.171 4.350 0.002 0.000 0.194 303 E C 1.714 178.316 176.600 0.005 0.000 0.989 303 E CA 0.904 57.307 56.400 0.005 0.000 0.824 303 E CB -0.186 29.516 29.700 0.003 0.000 0.756 303 E HN 0.598 nan 8.360 nan 0.000 0.477 304 Q N -0.011 119.792 119.800 0.005 0.000 2.369 304 Q HA 0.029 4.370 4.340 0.002 0.000 0.206 304 Q C 0.961 176.964 176.000 0.006 0.000 0.963 304 Q CA 0.833 56.639 55.803 0.005 0.000 0.894 304 Q CB 0.013 28.755 28.738 0.006 0.000 0.965 304 Q HN 0.354 nan 8.270 nan 0.000 0.475 305 G N 1.146 109.950 108.800 0.007 0.000 2.829 305 G HA2 -0.173 3.788 3.960 0.002 0.000 0.628 305 G HA3 -0.173 3.788 3.960 0.002 0.000 0.628 305 G C -0.597 174.308 174.900 0.009 0.000 1.412 305 G CA -0.321 44.783 45.100 0.007 0.000 0.864 305 G HN 0.572 nan 8.290 nan 0.000 0.544 306 L N -0.804 120.425 121.223 0.010 0.000 2.768 306 L HA 0.022 4.363 4.340 0.002 0.000 0.566 306 L C -0.004 176.876 176.870 0.016 0.000 1.001 306 L CA 1.170 56.017 54.840 0.012 0.000 1.287 306 L CB -0.547 41.518 42.059 0.010 0.000 1.674 306 L HN 1.712 nan 8.230 nan 0.000 0.827 307 D N 4.751 125.164 120.400 0.020 0.000 2.163 307 D HA 0.568 5.209 4.640 0.002 0.000 0.248 307 D C -0.379 175.946 176.300 0.041 0.000 1.035 307 D CA -0.342 53.674 54.000 0.027 0.000 0.872 307 D CB 2.384 43.198 40.800 0.024 0.000 1.183 307 D HN 0.454 nan 8.370 nan 0.000 0.445 308 V N 1.027 120.974 119.914 0.054 0.000 2.667 308 V HA 0.260 4.381 4.120 0.002 0.000 0.308 308 V C -0.724 175.436 176.094 0.111 0.000 1.048 308 V CA -0.732 61.626 62.300 0.097 0.000 0.928 308 V CB 1.747 33.621 31.823 0.085 0.000 1.004 308 V HN 0.696 nan 8.190 nan 0.000 0.444 309 D N 4.713 125.215 120.400 0.171 0.000 2.382 309 D HA 0.112 4.753 4.640 0.002 0.000 0.245 309 D C 1.043 177.325 176.300 -0.030 0.000 1.120 309 D CA -0.043 53.969 54.000 0.019 0.000 0.890 309 D CB 1.205 41.931 40.800 -0.123 0.000 1.201 309 D HN 0.497 nan 8.370 nan 0.000 0.433 310 M N 3.062 122.635 119.600 -0.045 0.000 2.143 310 M HA -0.210 4.271 4.480 0.002 0.000 0.258 310 M C 1.763 178.015 176.300 -0.079 0.000 1.071 310 M CA 1.437 56.714 55.300 -0.040 0.000 1.088 310 M CB -0.506 32.073 32.600 -0.036 0.000 1.360 310 M HN 0.423 nan 8.290 nan 0.000 0.404 311 R N -0.305 120.089 120.500 -0.176 0.000 2.133 311 R HA -0.183 4.158 4.340 0.002 0.000 0.247 311 R C 1.988 178.174 176.300 -0.190 0.000 1.151 311 R CA 1.683 57.647 56.100 -0.225 0.000 0.971 311 R CB -0.769 29.328 30.300 -0.337 0.000 0.866 311 R HN 0.542 nan 8.270 nan 0.000 0.447 312 H N -1.008 118.064 119.070 0.003 0.000 2.384 312 H HA 0.074 4.631 4.556 0.002 0.000 0.300 312 H C 2.177 177.506 175.328 0.003 0.000 1.057 312 H CA 1.367 57.417 56.048 0.003 0.000 1.370 312 H CB -0.233 29.531 29.762 0.004 0.000 1.417 312 H HN 0.190 nan 8.280 nan 0.000 0.527 313 I N 0.962 121.599 120.570 0.112 0.000 2.454 313 I HA -0.236 3.934 4.170 0.002 0.000 0.254 313 I C 2.275 178.415 176.117 0.039 0.000 1.156 313 I CA 0.783 62.121 61.300 0.065 0.000 1.433 313 I CB -0.207 37.819 38.000 0.043 0.000 1.082 313 I HN 0.090 nan 8.210 nan 0.000 0.432 314 L N -0.213 121.024 121.223 0.025 0.000 2.056 314 L HA -0.205 4.136 4.340 0.002 0.000 0.207 314 L C 2.523 179.405 176.870 0.021 0.000 1.078 314 L CA 1.155 56.003 54.840 0.013 0.000 0.749 314 L CB -0.479 41.579 42.059 -0.002 0.000 0.901 314 L HN 0.293 nan 8.230 nan 0.000 0.433 315 L N -0.338 120.904 121.223 0.033 0.000 1.970 315 L HA -0.233 4.108 4.340 0.002 0.000 0.212 315 L C 2.601 179.488 176.870 0.029 0.000 1.071 315 L CA 1.405 56.266 54.840 0.034 0.000 0.751 315 L CB -0.175 41.916 42.059 0.054 0.000 0.889 315 L HN 0.045 nan 8.230 nan 0.000 0.432 316 V N 0.168 120.104 119.914 0.036 0.000 2.370 316 V HA -0.354 3.767 4.120 0.002 0.000 0.252 316 V C 2.662 178.767 176.094 0.019 0.000 1.068 316 V CA 1.940 64.255 62.300 0.026 0.000 1.061 316 V CB -1.118 30.723 31.823 0.031 0.000 0.656 316 V HN 0.594 nan 8.190 nan 0.000 0.455 317 A N -0.977 121.855 122.820 0.020 0.000 1.970 317 A HA -0.151 4.170 4.320 0.002 0.000 0.216 317 A C 2.013 179.605 177.584 0.013 0.000 1.170 317 A CA 1.480 53.527 52.037 0.016 0.000 0.645 317 A CB -0.373 18.636 19.000 0.014 0.000 0.816 317 A HN 0.503 nan 8.150 nan 0.000 0.447 318 D N -0.374 120.034 120.400 0.013 0.000 2.213 318 D HA -0.033 4.608 4.640 0.002 0.000 0.205 318 D C 2.048 178.353 176.300 0.008 0.000 0.961 318 D CA 1.011 55.017 54.000 0.010 0.000 0.853 318 D CB 0.058 40.864 40.800 0.010 0.000 0.967 318 D HN 0.197 nan 8.370 nan 0.000 0.496 319 V N 0.826 120.744 119.914 0.007 0.000 2.407 319 V HA -0.210 3.911 4.120 0.002 0.000 0.248 319 V C 2.493 178.588 176.094 0.002 0.000 1.055 319 V CA 1.200 63.501 62.300 0.001 0.000 1.049 319 V CB -0.351 31.470 31.823 -0.003 0.000 0.662 319 V HN 0.213 nan 8.190 nan 0.000 0.455 320 M N 0.578 120.183 119.600 0.007 0.000 2.200 320 M HA -0.111 4.370 4.480 0.002 0.000 0.265 320 M C 2.306 178.614 176.300 0.014 0.000 1.066 320 M CA 2.064 57.372 55.300 0.013 0.000 1.127 320 M CB -0.468 32.143 32.600 0.018 0.000 1.379 320 M HN 0.638 nan 8.290 nan 0.000 0.420 321 T N -1.938 112.624 114.554 0.013 0.000 3.067 321 T HA 0.012 4.363 4.350 0.002 0.000 0.261 321 T C 0.991 175.697 174.700 0.011 0.000 1.110 321 T CA -0.168 61.940 62.100 0.014 0.000 1.113 321 T CB -0.248 68.629 68.868 0.015 0.000 0.917 321 T HN 0.317 nan 8.240 nan 0.000 0.499 322 R N 1.854 122.358 120.500 0.007 0.000 2.623 322 R HA 0.150 4.490 4.340 0.002 0.000 0.271 322 R C -0.617 175.684 176.300 0.001 0.000 1.043 322 R CA 0.968 57.070 56.100 0.003 0.000 1.083 322 R CB -0.502 29.798 30.300 -0.000 0.000 0.974 322 R HN 0.314 nan 8.270 nan 0.000 0.436 323 T N 2.691 117.245 114.554 0.000 0.000 3.875 323 T HA -0.141 4.210 4.350 0.002 0.000 0.381 323 T C 0.975 175.677 174.700 0.004 0.000 0.760 323 T CA 0.529 62.627 62.100 -0.002 0.000 2.040 323 T CB -1.896 66.967 68.868 -0.009 0.000 1.778 323 T HN 1.148 nan 8.240 nan 0.000 0.822 324 G N 0.496 109.300 108.800 0.007 0.000 3.346 324 G HA2 -0.418 3.543 3.960 0.002 0.000 0.366 324 G HA3 -0.418 3.543 3.960 0.002 0.000 0.366 324 G C 0.731 175.641 174.900 0.018 0.000 1.891 324 G CA 0.769 45.877 45.100 0.012 0.000 2.071 324 G HN 1.562 nan 8.290 nan 0.000 0.902 325 V N 1.858 121.783 119.914 0.018 0.000 2.557 325 V HA 0.307 4.428 4.120 0.002 0.000 0.301 325 V C 1.334 177.446 176.094 0.030 0.000 1.026 325 V CA 0.288 62.604 62.300 0.026 0.000 1.137 325 V CB 1.127 32.965 31.823 0.026 0.000 0.917 325 V HN 0.703 nan 8.190 nan 0.000 0.484 326 V N 7.529 127.466 119.914 0.038 0.000 2.843 326 V HA 0.399 4.520 4.120 0.002 0.000 0.305 326 V C 0.426 176.561 176.094 0.069 0.000 1.065 326 V CA -0.166 62.159 62.300 0.043 0.000 1.116 326 V CB 0.818 32.663 31.823 0.037 0.000 0.968 326 V HN 1.068 nan 8.190 nan 0.000 0.487 327 R N 4.637 125.179 120.500 0.071 0.000 2.725 327 R HA 0.444 4.785 4.340 0.002 0.000 0.277 327 R C -0.893 175.487 176.300 0.134 0.000 0.987 327 R CA -0.844 55.326 56.100 0.116 0.000 0.901 327 R CB 1.607 31.930 30.300 0.039 0.000 1.207 327 R HN 0.766 nan 8.270 nan 0.000 0.463 328 Q N 1.666 121.629 119.800 0.272 0.000 2.289 328 Q HA 0.011 4.352 4.340 0.002 0.000 0.273 328 Q C 0.563 176.627 176.000 0.107 0.000 1.029 328 Q CA -0.138 55.776 55.803 0.185 0.000 0.896 328 Q CB 0.901 29.785 28.738 0.243 0.000 1.182 328 Q HN 0.717 nan 8.270 nan 0.000 0.385 329 I N 4.066 124.667 120.570 0.052 0.000 2.502 329 I HA -0.174 3.997 4.170 0.002 0.000 0.258 329 I C 1.009 177.106 176.117 -0.033 0.000 1.172 329 I CA 1.886 63.189 61.300 0.006 0.000 1.430 329 I CB -0.264 37.739 38.000 0.005 0.000 1.086 329 I HN 0.770 nan 8.210 nan 0.000 0.440 330 G N -0.503 108.309 108.800 0.021 0.000 2.882 330 G HA2 0.141 4.101 3.960 0.002 0.000 0.164 330 G HA3 0.141 4.101 3.960 0.002 0.000 0.164 330 G C 1.011 175.929 174.900 0.030 0.000 1.429 330 G CA 0.040 45.146 45.100 0.011 0.000 1.059 330 G HN 0.230 nan 8.290 nan 0.000 0.581 331 R N 0.002 120.641 120.500 0.231 0.000 2.241 331 R HA -0.106 4.235 4.340 0.002 0.000 0.224 331 R C 1.647 178.072 176.300 0.208 0.000 1.101 331 R CA 1.639 57.922 56.100 0.304 0.000 0.995 331 R CB -1.224 29.326 30.300 0.417 0.000 0.870 331 R HN 0.776 nan 8.270 nan 0.000 0.463 332 H N 0.321 119.441 119.070 0.083 0.000 2.276 332 H HA 0.017 4.574 4.556 0.002 0.000 0.307 332 H C 1.441 176.788 175.328 0.031 0.000 1.061 332 H CA 1.946 58.027 56.048 0.054 0.000 1.336 332 H CB 0.094 29.881 29.762 0.041 0.000 1.396 332 H HN 0.292 nan 8.280 nan 0.000 0.503 333 G N 0.094 108.812 108.800 -0.137 0.000 2.710 333 G HA2 0.052 4.013 3.960 0.002 0.000 0.215 333 G HA3 0.052 4.013 3.960 0.002 0.000 0.215 333 G C 1.703 176.544 174.900 -0.097 0.000 1.345 333 G CA 0.476 45.441 45.100 -0.224 0.000 0.812 333 G HN 0.291 nan 8.290 nan 0.000 0.606 334 V N 0.841 120.725 119.914 -0.050 0.000 2.216 334 V HA -0.133 3.988 4.120 0.002 0.000 0.243 334 V C 2.961 178.999 176.094 -0.093 0.000 1.044 334 V CA 2.485 64.748 62.300 -0.060 0.000 0.995 334 V CB -0.763 31.031 31.823 -0.049 0.000 0.633 334 V HN 0.447 nan 8.190 nan 0.000 0.446 335 T N -0.334 114.127 114.554 -0.154 0.000 3.163 335 T HA 0.005 4.356 4.350 0.002 0.000 0.260 335 T C 1.192 175.794 174.700 -0.164 0.000 1.156 335 T CA 0.991 62.947 62.100 -0.239 0.000 1.072 335 T CB -0.467 68.093 68.868 -0.514 0.000 0.937 335 T HN 0.560 nan 8.240 nan 0.000 0.528 336 G N 1.396 110.147 108.800 -0.083 0.000 3.702 336 G HA2 0.316 4.277 3.960 0.002 0.000 0.288 336 G HA3 0.316 4.277 3.960 0.002 0.000 0.288 336 G C 0.200 175.088 174.900 -0.020 0.000 1.193 336 G CA -0.522 44.581 45.100 0.005 0.000 0.952 336 G HN 0.722 nan 8.290 nan 0.000 0.544 337 E N -0.317 119.862 120.200 -0.035 0.000 3.099 337 E HA 0.306 4.657 4.350 0.002 0.000 0.259 337 E C 0.127 176.715 176.600 -0.020 0.000 1.274 337 E CA -0.931 55.448 56.400 -0.036 0.000 1.111 337 E CB 0.383 30.059 29.700 -0.040 0.000 1.327 337 E HN -0.007 nan 8.360 nan 0.000 0.652 338 K N 1.902 122.289 120.400 -0.022 0.000 2.449 338 K HA 0.149 4.470 4.320 0.002 0.000 0.237 338 K C -0.962 175.631 176.600 -0.012 0.000 1.265 338 K CA -0.071 56.206 56.287 -0.018 0.000 1.193 338 K CB -0.835 31.653 32.500 -0.021 0.000 1.515 338 K HN 0.272 nan 8.250 nan 0.000 0.259 339 N N 0.670 119.368 118.700 -0.005 0.000 2.443 339 N HA 0.021 4.762 4.740 0.002 0.000 0.294 339 N C -0.408 175.096 175.510 -0.010 0.000 1.289 339 N CA -0.602 52.446 53.050 -0.003 0.000 0.966 339 N CB 0.265 38.754 38.487 0.004 0.000 1.122 339 N HN 0.379 nan 8.380 nan 0.000 0.569 340 S N -0.506 115.184 115.700 -0.017 0.000 2.565 340 S HA 0.167 4.638 4.470 0.002 0.000 0.274 340 S C 1.356 175.938 174.600 -0.030 0.000 1.309 340 S CA -0.815 57.349 58.200 -0.059 0.000 1.043 340 S CB 0.332 63.474 63.200 -0.098 0.000 0.939 340 S HN 0.387 nan 8.310 nan 0.000 0.504 341 V N 4.376 124.264 119.914 -0.043 0.000 2.913 341 V HA -0.054 4.067 4.120 0.002 0.000 0.260 341 V C 1.680 177.779 176.094 0.009 0.000 1.098 341 V CA 1.343 63.651 62.300 0.013 0.000 1.121 341 V CB -1.076 30.749 31.823 0.003 0.000 0.714 341 V HN 0.747 nan 8.190 nan 0.000 0.487 342 L N 1.107 122.309 121.223 -0.036 0.000 2.156 342 L HA 0.161 4.502 4.340 0.002 0.000 0.208 342 L C 2.839 179.725 176.870 0.026 0.000 1.095 342 L CA 1.937 56.774 54.840 -0.005 0.000 0.770 342 L CB -0.954 41.101 42.059 -0.006 0.000 0.914 342 L HN 0.334 nan 8.230 nan 0.000 0.439 343 A N -0.393 122.444 122.820 0.028 0.000 1.930 343 A HA -0.102 4.219 4.320 0.002 0.000 0.215 343 A C 2.393 180.008 177.584 0.052 0.000 1.176 343 A CA 0.978 53.043 52.037 0.046 0.000 0.632 343 A CB -0.351 18.673 19.000 0.039 0.000 0.819 343 A HN 0.280 nan 8.150 nan 0.000 0.445 344 R N -0.575 119.953 120.500 0.048 0.000 2.280 344 R HA 0.103 4.444 4.340 0.002 0.000 0.207 344 R C 1.922 178.131 176.300 -0.152 0.000 1.043 344 R CA 0.804 56.926 56.100 0.036 0.000 1.006 344 R CB -0.160 30.267 30.300 0.210 0.000 0.885 344 R HN 0.512 nan 8.270 nan 0.000 0.467 345 A N 0.008 122.786 122.820 -0.069 0.000 2.063 345 A HA 0.227 4.548 4.320 0.002 0.000 0.211 345 A C 2.083 179.633 177.584 -0.056 0.000 1.177 345 A CA 0.717 52.692 52.037 -0.104 0.000 0.759 345 A CB -0.026 18.961 19.000 -0.022 0.000 0.857 345 A HN 0.294 nan 8.150 nan 0.000 0.468 346 A N -0.473 122.351 122.820 0.007 0.000 1.897 346 A HA 0.232 4.553 4.320 0.002 0.000 0.215 346 A C 0.902 178.510 177.584 0.040 0.000 1.181 346 A CA 0.468 52.521 52.037 0.026 0.000 0.620 346 A CB -0.551 18.482 19.000 0.055 0.000 0.821 346 A HN 0.582 nan 8.150 nan 0.000 0.443 347 F N 0.278 120.189 119.950 -0.066 0.000 2.459 347 F HA 0.350 4.878 4.527 0.002 0.000 0.346 347 F C 1.149 176.887 175.800 -0.105 0.000 1.128 347 F CA 0.450 58.410 58.000 -0.066 0.000 1.268 347 F CB 0.486 39.455 39.000 -0.051 0.000 1.161 347 F HN 0.587 nan 8.300 nan 0.000 0.583 348 E N 2.632 122.224 120.200 -1.014 0.000 3.799 348 E HA -0.283 4.068 4.350 0.002 0.000 0.320 348 E C 0.373 176.789 176.600 -0.307 0.000 0.760 348 E CA 0.681 56.695 56.400 -0.645 0.000 1.153 348 E CB -0.937 28.532 29.700 -0.385 0.000 1.589 348 E HN 0.735 nan 8.360 nan 0.000 0.448 349 V N 0.928 120.704 119.914 -0.230 0.000 5.674 349 V HA -0.289 3.832 4.120 0.002 0.000 0.156 349 V C -0.086 175.945 176.094 -0.105 0.000 0.726 349 V CA 2.428 64.650 62.300 -0.130 0.000 0.518 349 V CB -1.066 30.694 31.823 -0.106 0.000 0.181 349 V HN 0.425 nan 8.190 nan 0.000 0.381 350 T N 2.550 117.040 114.554 -0.107 0.000 2.926 350 T HA 0.688 5.039 4.350 0.002 0.000 0.289 350 T C 0.443 175.133 174.700 -0.017 0.000 1.054 350 T CA 0.011 62.070 62.100 -0.068 0.000 1.015 350 T CB 2.010 70.824 68.868 -0.090 0.000 1.167 350 T HN 0.193 nan 8.240 nan 0.000 0.526 351 V N 2.044 121.974 119.914 0.026 0.000 3.473 351 V HA 0.205 4.326 4.120 0.002 0.000 0.253 351 V C 2.256 178.398 176.094 0.081 0.000 1.340 351 V CA 0.107 62.434 62.300 0.044 0.000 1.103 351 V CB -0.077 31.761 31.823 0.024 0.000 0.881 351 V HN 0.788 nan 8.190 nan 0.000 0.451 352 K N 0.138 120.602 120.400 0.106 0.000 2.113 352 K HA -0.190 4.131 4.320 0.002 0.000 0.208 352 K C 2.029 178.698 176.600 0.116 0.000 1.047 352 K CA 1.842 58.189 56.287 0.100 0.000 0.928 352 K CB -0.265 32.296 32.500 0.103 0.000 0.716 352 K HN 0.612 nan 8.250 nan 0.000 0.446 353 H N 0.560 119.637 119.070 0.010 0.000 2.293 353 H HA -0.097 4.460 4.556 0.002 0.000 0.300 353 H C 2.294 177.622 175.328 0.001 0.000 1.082 353 H CA 1.335 57.389 56.048 0.009 0.000 1.308 353 H CB -0.100 29.674 29.762 0.019 0.000 1.375 353 H HN 0.105 nan 8.280 nan 0.000 0.495 354 L N 0.656 121.959 121.223 0.133 0.000 2.131 354 L HA -0.202 4.139 4.340 0.002 0.000 0.210 354 L C 2.523 179.413 176.870 0.034 0.000 1.092 354 L CA 0.601 55.479 54.840 0.063 0.000 0.759 354 L CB -0.271 41.815 42.059 0.045 0.000 0.903 354 L HN 0.204 nan 8.230 nan 0.000 0.435 355 L N -0.695 120.547 121.223 0.032 0.000 2.027 355 L HA -0.220 4.121 4.340 0.002 0.000 0.206 355 L C 2.054 178.925 176.870 0.002 0.000 1.074 355 L CA 1.208 56.056 54.840 0.014 0.000 0.745 355 L CB -0.556 41.511 42.059 0.013 0.000 0.898 355 L HN 0.206 nan 8.230 nan 0.000 0.433 356 D N 0.192 120.589 120.400 -0.005 0.000 2.178 356 D HA -0.134 4.507 4.640 0.002 0.000 0.202 356 D C 2.243 178.531 176.300 -0.020 0.000 0.974 356 D CA 1.227 55.213 54.000 -0.024 0.000 0.841 356 D CB -0.125 40.642 40.800 -0.054 0.000 0.953 356 D HN 0.288 nan 8.370 nan 0.000 0.478 357 A N 0.751 123.565 122.820 -0.009 0.000 1.986 357 A HA -0.124 4.197 4.320 0.002 0.000 0.220 357 A C 2.242 179.817 177.584 -0.014 0.000 1.171 357 A CA 2.178 54.208 52.037 -0.012 0.000 0.640 357 A CB -0.694 18.305 19.000 -0.002 0.000 0.811 357 A HN 0.262 nan 8.150 nan 0.000 0.451 358 A N -0.560 122.255 122.820 -0.009 0.000 1.898 358 A HA 0.329 4.650 4.320 0.002 0.000 0.214 358 A C 2.488 180.066 177.584 -0.011 0.000 1.183 358 A CA 1.680 53.712 52.037 -0.009 0.000 0.622 358 A CB -0.937 18.060 19.000 -0.004 0.000 0.824 358 A HN 0.947 nan 8.150 nan 0.000 0.444 359 A N -0.019 122.794 122.820 -0.012 0.000 1.841 359 A HA -0.123 4.198 4.320 0.002 0.000 0.214 359 A C 2.136 179.710 177.584 -0.016 0.000 1.195 359 A CA 1.332 53.361 52.037 -0.014 0.000 0.611 359 A CB -0.497 18.494 19.000 -0.015 0.000 0.835 359 A HN 0.361 nan 8.150 nan 0.000 0.443 360 R N -0.961 119.527 120.500 -0.021 0.000 2.241 360 R HA -0.049 4.292 4.340 0.002 0.000 0.224 360 R C 1.419 177.707 176.300 -0.020 0.000 1.101 360 R CA 0.885 56.972 56.100 -0.023 0.000 0.995 360 R CB -0.949 29.334 30.300 -0.029 0.000 0.870 360 R HN 1.009 nan 8.270 nan 0.000 0.463 361 G N 1.962 110.751 108.800 -0.019 0.000 2.147 361 G HA2 -0.234 3.727 3.960 0.002 0.000 0.244 361 G HA3 -0.234 3.727 3.960 0.002 0.000 0.244 361 G C -0.564 174.323 174.900 -0.022 0.000 1.005 361 G CA 0.179 45.268 45.100 -0.018 0.000 0.713 361 G HN 0.249 nan 8.290 nan 0.000 0.515 362 D N 0.191 120.575 120.400 -0.027 0.000 2.455 362 D HA 0.231 4.872 4.640 0.002 0.000 0.265 362 D C 0.905 177.181 176.300 -0.040 0.000 1.284 362 D CA 0.413 54.393 54.000 -0.033 0.000 0.944 362 D CB 0.970 41.748 40.800 -0.036 0.000 1.121 362 D HN 0.149 nan 8.370 nan 0.000 0.525 363 V N 3.728 123.618 119.914 -0.039 0.000 2.223 363 V HA 0.052 4.173 4.120 0.002 0.000 0.249 363 V C 0.540 176.597 176.094 -0.063 0.000 1.233 363 V CA -0.328 61.944 62.300 -0.045 0.000 1.131 363 V CB 0.251 32.056 31.823 -0.030 0.000 1.298 363 V HN 0.316 nan 8.190 nan 0.000 0.498 364 E N 3.039 123.181 120.200 -0.097 0.000 2.175 364 E HA 0.348 4.699 4.350 0.002 0.000 0.278 364 E C 0.420 176.888 176.600 -0.220 0.000 0.969 364 E CA -0.283 56.041 56.400 -0.126 0.000 0.796 364 E CB 1.198 30.827 29.700 -0.119 0.000 1.104 364 E HN 0.601 nan 8.360 nan 0.000 0.395 365 E N 2.703 122.797 120.200 -0.176 0.000 3.994 365 E HA 0.107 4.458 4.350 0.002 0.000 0.569 365 E C -0.071 176.267 176.600 -0.437 0.000 0.320 365 E CA 0.280 56.564 56.400 -0.194 0.000 3.540 365 E CB 0.146 29.848 29.700 0.004 0.000 2.366 365 E HN 0.579 nan 8.360 nan 0.000 0.353 366 F N -1.113 118.835 119.950 -0.003 0.000 1.941 366 F HA 0.160 4.688 4.527 0.001 0.000 0.230 366 F C 1.294 177.110 175.800 0.027 0.000 1.181 366 F CA -0.257 57.749 58.000 0.010 0.000 1.294 366 F CB 0.001 39.000 39.000 -0.000 0.000 1.748 366 F HN 0.193 nan 8.300 nan 0.000 0.419 367 K N -0.316 120.234 120.400 0.249 0.000 9.641 367 K HA -0.200 4.121 4.320 0.002 0.000 0.509 367 K C 0.896 177.569 176.600 0.123 0.000 0.371 367 K CA 1.429 57.803 56.287 0.144 0.000 1.955 367 K CB -2.283 30.269 32.500 0.087 0.000 0.718 367 K HN 0.563 nan 8.250 nan 0.000 1.078 368 G N 0.564 109.432 108.800 0.114 0.000 2.588 368 G HA2 0.379 4.340 3.960 0.002 0.000 0.281 368 G HA3 0.379 4.340 3.960 0.002 0.000 0.281 368 G C 1.364 176.322 174.900 0.098 0.000 1.236 368 G CA 0.294 45.445 45.100 0.085 0.000 0.969 368 G HN 0.276 nan 8.290 nan 0.000 0.504 369 V N -1.650 118.305 119.914 0.069 0.000 2.488 369 V HA -0.074 4.047 4.120 0.002 0.000 0.246 369 V C 2.678 178.818 176.094 0.075 0.000 1.046 369 V CA 1.430 63.767 62.300 0.062 0.000 1.053 369 V CB -0.955 30.891 31.823 0.038 0.000 0.679 369 V HN 0.368 nan 8.190 nan 0.000 0.458 370 V N 1.422 121.382 119.914 0.076 0.000 2.295 370 V HA -0.237 3.884 4.120 0.002 0.000 0.246 370 V C 2.745 178.909 176.094 0.117 0.000 1.049 370 V CA 2.537 64.885 62.300 0.081 0.000 1.024 370 V CB -0.941 30.925 31.823 0.072 0.000 0.648 370 V HN 0.570 nan 8.190 nan 0.000 0.447 371 E N 0.485 120.782 120.200 0.161 0.000 2.072 371 E HA -0.133 4.218 4.350 0.002 0.000 0.191 371 E C 2.038 178.833 176.600 0.325 0.000 0.985 371 E CA 1.111 57.681 56.400 0.282 0.000 0.801 371 E CB -0.391 29.519 29.700 0.350 0.000 0.750 371 E HN 0.477 nan 8.360 nan 0.000 0.452 372 N N 0.204 119.046 118.700 0.236 0.000 2.459 372 N HA -0.006 4.735 4.740 0.002 0.000 0.181 372 N C 1.495 177.048 175.510 0.070 0.000 1.046 372 N CA 0.674 53.799 53.050 0.124 0.000 0.904 372 N CB 0.167 38.744 38.487 0.151 0.000 0.964 372 N HN 0.245 nan 8.380 nan 0.000 0.444 373 I N 0.009 120.623 120.570 0.073 0.000 2.703 373 I HA -0.043 4.128 4.170 0.002 0.000 0.259 373 I C 1.867 178.014 176.117 0.049 0.000 1.151 373 I CA 0.398 61.726 61.300 0.046 0.000 1.470 373 I CB 0.063 38.087 38.000 0.039 0.000 1.112 373 I HN -0.035 nan 8.210 nan 0.000 0.437 374 I N 0.516 121.132 120.570 0.078 0.000 2.226 374 I HA -0.264 3.907 4.170 0.002 0.000 0.245 374 I C 2.376 178.536 176.117 0.072 0.000 1.100 374 I CA 1.391 62.740 61.300 0.082 0.000 1.374 374 I CB -0.051 38.016 38.000 0.112 0.000 1.057 374 I HN 0.195 nan 8.210 nan 0.000 0.413 375 I N 0.728 121.337 120.570 0.065 0.000 3.251 375 I HA 0.095 4.266 4.170 0.002 0.000 0.277 375 I C 1.185 177.274 176.117 -0.046 0.000 1.268 375 I CA 0.579 61.868 61.300 -0.018 0.000 1.449 375 I CB -0.533 37.316 38.000 -0.251 0.000 1.083 375 I HN 0.303 nan 8.210 nan 0.000 0.464 376 G N 1.450 110.245 108.800 -0.009 0.000 2.370 376 G HA2 -0.263 3.697 3.960 0.002 0.000 0.268 376 G HA3 -0.263 3.697 3.960 0.002 0.000 0.268 376 G C 0.109 175.027 174.900 0.030 0.000 1.122 376 G CA 0.222 45.325 45.100 0.005 0.000 0.963 376 G HN 0.654 nan 8.290 nan 0.000 0.500 377 H N 0.643 119.645 119.070 -0.113 0.000 2.924 377 H HA 0.404 4.961 4.556 0.002 0.000 0.333 377 H C -2.401 172.877 175.328 -0.082 0.000 0.979 377 H CA -1.607 54.363 56.048 -0.130 0.000 1.326 377 H CB 2.677 32.294 29.762 -0.243 0.000 1.600 377 H HN 0.169 nan 8.280 nan 0.000 0.520 378 P HA -0.112 nan 4.420 nan 0.000 0.265 378 P C 0.478 177.666 177.300 -0.187 0.000 1.167 378 P CA 0.539 63.502 63.100 -0.227 0.000 0.760 378 P CB 0.765 32.318 31.700 -0.246 0.000 0.783 379 I N -0.656 119.860 120.570 -0.091 0.000 2.638 379 I HA 0.195 4.366 4.170 0.002 0.000 0.286 379 I C 0.938 177.027 176.117 -0.047 0.000 1.088 379 I CA -0.524 60.749 61.300 -0.045 0.000 1.397 379 I CB 0.391 38.380 38.000 -0.018 0.000 1.414 379 I HN 0.075 nan 8.210 nan 0.000 0.566 380 K N 3.795 124.184 120.400 -0.019 0.000 2.487 380 K HA 0.229 4.550 4.320 0.002 0.000 0.192 380 K C -0.478 176.119 176.600 -0.006 0.000 1.027 380 K CA 0.283 56.563 56.287 -0.013 0.000 1.054 380 K CB -0.350 32.158 32.500 0.013 0.000 0.824 380 K HN 0.603 nan 8.250 nan 0.000 0.510 381 L N -4.111 117.109 121.223 -0.006 0.000 2.323 381 L HA 0.847 5.188 4.340 0.002 0.000 0.265 381 L C 0.800 177.666 176.870 -0.006 0.000 1.012 381 L CA -0.676 54.163 54.840 -0.002 0.000 0.820 381 L CB 1.149 43.211 42.059 0.005 0.000 1.334 381 L HN 0.092 nan 8.230 nan 0.000 0.427 382 G N 0.984 109.782 108.800 -0.003 0.000 2.527 382 G HA2 -0.314 3.647 3.960 0.002 0.000 0.262 382 G HA3 -0.314 3.647 3.960 0.002 0.000 0.262 382 G C 0.740 175.635 174.900 -0.008 0.000 1.153 382 G CA 0.816 45.914 45.100 -0.004 0.000 0.954 382 G HN 1.459 nan 8.290 nan 0.000 0.552 383 T N -0.297 114.251 114.554 -0.011 0.000 3.051 383 T HA 0.279 4.630 4.350 0.002 0.000 0.269 383 T C 2.355 177.042 174.700 -0.022 0.000 1.127 383 T CA 1.690 63.782 62.100 -0.014 0.000 1.107 383 T CB -0.292 68.567 68.868 -0.015 0.000 0.898 383 T HN 1.763 nan 8.240 nan 0.000 0.517 384 G N 0.864 109.649 108.800 -0.025 0.000 2.448 384 G HA2 -0.026 3.935 3.960 0.002 0.000 0.218 384 G HA3 -0.026 3.935 3.960 0.002 0.000 0.218 384 G C 1.434 176.317 174.900 -0.028 0.000 1.135 384 G CA 0.551 45.629 45.100 -0.036 0.000 0.784 384 G HN 0.506 nan 8.290 nan 0.000 0.543 385 M N 0.594 120.184 119.600 -0.016 0.000 2.287 385 M HA 0.190 4.671 4.480 0.002 0.000 0.266 385 M C 1.141 177.436 176.300 -0.009 0.000 1.079 385 M CA 0.287 55.582 55.300 -0.010 0.000 1.146 385 M CB 0.158 32.755 32.600 -0.004 0.000 1.374 385 M HN -0.011 nan 8.290 nan 0.000 0.435 386 V N 3.807 123.715 119.914 -0.009 0.000 2.529 386 V HA 0.013 4.134 4.120 0.002 0.000 0.292 386 V C -0.356 175.733 176.094 -0.010 0.000 1.028 386 V CA -0.040 62.256 62.300 -0.008 0.000 1.074 386 V CB 0.148 31.967 31.823 -0.007 0.000 0.958 386 V HN 0.511 nan 8.190 nan 0.000 0.481 387 E N 7.257 127.452 120.200 -0.007 0.000 2.183 387 E HA 0.674 5.025 4.350 0.002 0.000 0.271 387 E C -1.335 175.262 176.600 -0.005 0.000 0.919 387 E CA -0.961 55.435 56.400 -0.007 0.000 0.781 387 E CB 2.119 31.816 29.700 -0.005 0.000 1.140 387 E HN 0.646 nan 8.360 nan 0.000 0.402 388 L N 1.502 122.721 121.223 -0.006 0.000 2.323 388 L HA 0.594 4.935 4.340 0.002 0.000 0.265 388 L C -0.194 176.674 176.870 -0.004 0.000 1.012 388 L CA -1.038 53.799 54.840 -0.005 0.000 0.820 388 L CB 2.471 44.526 42.059 -0.006 0.000 1.334 388 L HN 0.618 nan 8.230 nan 0.000 0.427 389 T N 1.859 116.411 114.554 -0.003 0.000 2.881 389 T HA 0.630 4.981 4.350 0.002 0.000 0.290 389 T C -1.022 173.677 174.700 -0.002 0.000 1.000 389 T CA -0.378 61.720 62.100 -0.002 0.000 0.978 389 T CB 1.576 70.443 68.868 -0.001 0.000 0.997 389 T HN 0.430 nan 8.240 nan 0.000 0.443 390 M N 3.436 123.035 119.600 -0.002 0.000 2.530 390 M HA 0.625 5.106 4.480 0.002 0.000 0.307 390 M C -1.456 174.843 176.300 -0.002 0.000 1.161 390 M CA -0.422 54.877 55.300 -0.002 0.000 0.903 390 M CB 1.782 34.380 32.600 -0.003 0.000 1.711 390 M HN 0.428 nan 8.290 nan 0.000 0.451 391 R N 3.913 124.412 120.500 -0.001 0.000 2.393 391 R HA 0.474 4.815 4.340 0.002 0.000 0.315 391 R C -2.049 174.251 176.300 -0.001 0.000 0.952 391 R CA -1.632 54.468 56.100 -0.001 0.000 0.842 391 R CB 0.805 31.105 30.300 -0.001 0.000 1.163 391 R HN 0.502 nan 8.270 nan 0.000 0.450 392 P HA -0.027 nan 4.420 nan 0.000 0.222 392 P C 0.081 177.381 177.300 -0.001 0.000 1.153 392 P CA 0.787 63.886 63.100 -0.001 0.000 0.798 392 P CB 0.215 31.914 31.700 -0.001 0.000 0.796 393 I N -4.913 115.657 120.570 -0.001 0.000 2.686 393 I HA 0.400 4.571 4.170 0.002 0.000 0.295 393 I C -0.872 175.245 176.117 -0.001 0.000 1.114 393 I CA -1.617 59.683 61.300 -0.001 0.000 1.038 393 I CB 2.334 40.333 38.000 -0.001 0.000 1.238 393 I HN -0.415 nan 8.210 nan 0.000 0.420 394 L N 6.391 127.614 121.223 -0.001 0.000 2.480 394 L HA 0.421 4.762 4.340 0.002 0.000 0.243 394 L C 0.866 177.735 176.870 -0.001 0.000 1.315 394 L CA 0.262 55.102 54.840 -0.001 0.000 1.231 394 L CB -0.962 41.097 42.059 -0.001 0.000 1.444 394 L HN 0.679 nan 8.230 nan 0.000 0.409 395 R N 0.000 120.500 120.500 -0.001 0.000 2.786 395 R HA 0.000 4.341 4.340 0.002 0.000 0.208 395 R CA 0.000 56.100 56.100 -0.001 0.000 0.921 395 R CB 0.000 30.300 30.300 -0.001 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535