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 3lml_1_F DATA FIRST_RESID 20 DATA SEQUENCE TNFKAAAAER TKAGERGTVA LPLAASWGAA KEFVEINKEE DVEKKLGLSL DATA SEQUENCE AHQSFLLLRE TLKLAKTVLV YRLNDGIKAT ATLATDVVVT AKYGGIVGNS DATA SEQUENCE ITIKVDENVV DSSKKDVTTY LNEVAVDKQV VGTASELIDS NYVSFKTTST DATA SEQUENCE SELQQSSGTT LVGGTDQPVT NLDYTQFLVS AEGEYFDTIA FPVSSSDVAL DATA SEQUENCE KTSFVSFVKR XRDEQGVKIK GVVANXPADY EGIINVRNGV TLRDGTILEP DATA SEQUENCE HQVVAWVAGA DASASXLKSN TFVKYDGAID ATPRLANDEA EEALQNGEFV DATA SEQUENCE LTFDARDKAV YVEQDLNSLT TFSKEKSSKF RKNKISRILD GINNDTRRNI DATA SEQUENCE LDAIKERKDA NTDIPADENG VQFILSXQTA YLNELQDSGA ITNFDSTADI DATA SEQUENCE TVSLNNNVDG FIVNQSIEPV DSGEKFYFTT EVKLE 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.752 174.700 0.086 0.000 1.109 20 T CA 0.000 62.143 62.100 0.071 0.000 1.349 20 T CB 0.000 68.897 68.868 0.048 0.000 0.612 21 N N 0.338 119.102 118.700 0.107 0.000 2.354 21 N HA 0.234 4.974 4.740 0.001 0.000 0.179 21 N C 1.043 176.590 175.510 0.062 0.000 1.021 21 N CA 0.865 53.958 53.050 0.072 0.000 0.887 21 N CB -0.168 38.357 38.487 0.064 0.000 0.974 21 N HN 0.309 nan 8.380 nan 0.000 0.437 22 F N 1.852 121.797 119.950 -0.008 0.000 2.098 22 F HA 0.023 4.550 4.527 0.000 0.000 0.294 22 F C 2.364 178.227 175.800 0.105 0.000 1.107 22 F CA 1.118 59.120 58.000 0.002 0.000 1.234 22 F CB 0.020 39.000 39.000 -0.033 0.000 1.002 22 F HN -0.149 nan 8.300 nan 0.000 0.472 23 K N -0.133 120.427 120.400 0.268 0.000 2.147 23 K HA -0.136 4.184 4.320 0.001 0.000 0.205 23 K C 2.195 178.855 176.600 0.098 0.000 1.049 23 K CA 0.915 57.297 56.287 0.158 0.000 0.936 23 K CB -0.389 32.161 32.500 0.084 0.000 0.722 23 K HN 0.244 nan 8.250 nan 0.000 0.446 24 A N 1.634 124.501 122.820 0.078 0.000 1.892 24 A HA -0.230 4.091 4.320 0.001 0.000 0.218 24 A C 2.381 179.986 177.584 0.036 0.000 1.188 24 A CA 2.117 54.177 52.037 0.038 0.000 0.631 24 A CB -0.891 18.122 19.000 0.022 0.000 0.822 24 A HN 0.356 nan 8.150 nan 0.000 0.447 25 A N -0.178 122.671 122.820 0.047 0.000 1.892 25 A HA 0.046 4.366 4.320 0.001 0.000 0.218 25 A C 2.474 180.141 177.584 0.139 0.000 1.188 25 A CA 2.484 54.558 52.037 0.062 0.000 0.631 25 A CB -1.123 17.871 19.000 -0.011 0.000 0.822 25 A HN 1.284 nan 8.150 nan 0.000 0.447 26 A N -0.906 122.018 122.820 0.172 0.000 2.178 26 A HA 0.269 4.589 4.320 0.001 0.000 0.218 26 A C 2.254 179.786 177.584 -0.086 0.000 1.157 26 A CA 1.790 53.764 52.037 -0.104 0.000 0.689 26 A CB -0.621 18.118 19.000 -0.435 0.000 0.787 26 A HN 0.988 nan 8.150 nan 0.000 0.465 27 A N -0.452 122.350 122.820 -0.028 0.000 1.911 27 A HA 0.084 4.404 4.320 0.001 0.000 0.212 27 A C 1.866 179.436 177.584 -0.023 0.000 1.189 27 A CA 1.420 53.439 52.037 -0.031 0.000 0.639 27 A CB -0.309 18.683 19.000 -0.014 0.000 0.839 27 A HN 0.434 nan 8.150 nan 0.000 0.449 28 E N -0.172 120.021 120.200 -0.011 0.000 2.265 28 E HA -0.153 4.197 4.350 0.001 0.000 0.196 28 E C 1.967 178.556 176.600 -0.018 0.000 0.996 28 E CA 0.991 57.383 56.400 -0.013 0.000 0.832 28 E CB -0.083 29.610 29.700 -0.012 0.000 0.756 28 E HN 0.365 nan 8.360 nan 0.000 0.491 29 R N -1.048 119.440 120.500 -0.020 0.000 2.119 29 R HA 0.053 4.393 4.340 0.001 0.000 0.222 29 R C 1.790 178.064 176.300 -0.044 0.000 1.088 29 R CA 1.710 57.792 56.100 -0.030 0.000 0.984 29 R CB -0.073 30.208 30.300 -0.031 0.000 0.884 29 R HN 0.321 nan 8.270 nan 0.000 0.447 30 T N -3.455 111.069 114.554 -0.049 0.000 3.040 30 T HA 0.261 4.611 4.350 0.001 0.000 0.266 30 T C 0.458 175.138 174.700 -0.034 0.000 1.005 30 T CA -0.507 61.565 62.100 -0.047 0.000 0.906 30 T CB 0.264 69.094 68.868 -0.062 0.000 1.082 30 T HN -0.114 nan 8.240 nan 0.000 0.531 31 K N 2.267 122.650 120.400 -0.028 0.000 2.447 31 K HA 0.491 4.812 4.320 0.001 0.000 0.281 31 K C 0.275 176.866 176.600 -0.015 0.000 1.031 31 K CA -0.206 56.069 56.287 -0.019 0.000 1.019 31 K CB 0.376 32.867 32.500 -0.015 0.000 0.918 31 K HN 0.412 nan 8.250 nan 0.000 0.476 32 A N 3.298 126.111 122.820 -0.012 0.000 2.386 32 A HA 0.596 4.917 4.320 0.001 0.000 0.248 32 A C 0.516 178.097 177.584 -0.004 0.000 1.082 32 A CA 0.575 52.608 52.037 -0.007 0.000 0.789 32 A CB 0.351 19.348 19.000 -0.005 0.000 1.025 32 A HN 1.010 nan 8.150 nan 0.000 0.490 33 G N 0.604 109.404 108.800 -0.001 0.000 2.331 33 G HA2 0.267 4.227 3.960 0.001 0.000 0.479 33 G HA3 0.267 4.227 3.960 0.001 0.000 0.479 33 G C -0.507 174.392 174.900 -0.000 0.000 1.262 33 G CA -0.253 44.848 45.100 0.001 0.000 1.029 33 G HN 1.496 nan 8.290 nan 0.000 0.487 34 E N 0.131 120.333 120.200 0.002 0.000 2.413 34 E HA 0.567 4.917 4.350 0.001 0.000 0.263 34 E C 0.526 177.124 176.600 -0.004 0.000 1.015 34 E CA 0.165 56.565 56.400 0.000 0.000 0.916 34 E CB 0.468 30.170 29.700 0.004 0.000 0.947 34 E HN 0.887 nan 8.360 nan 0.000 0.440 35 R N 0.965 121.460 120.500 -0.008 0.000 2.752 35 R HA 0.692 5.033 4.340 0.001 0.000 0.277 35 R C -0.809 175.483 176.300 -0.014 0.000 1.024 35 R CA -0.904 55.190 56.100 -0.010 0.000 0.866 35 R CB 0.761 31.053 30.300 -0.013 0.000 1.278 35 R HN 1.065 nan 8.270 nan 0.000 0.473 36 G N 0.057 108.853 108.800 -0.007 0.000 2.907 36 G HA2 0.150 4.110 3.960 0.001 0.000 0.686 36 G HA3 0.150 4.110 3.960 0.001 0.000 0.686 36 G C -0.700 174.209 174.900 0.015 0.000 1.115 36 G CA -0.245 44.853 45.100 -0.003 0.000 0.760 36 G HN 0.994 nan 8.290 nan 0.000 0.620 37 T N -0.301 114.279 114.554 0.043 0.000 3.031 37 T HA 0.739 5.089 4.350 0.001 0.000 0.305 37 T C -0.199 174.567 174.700 0.111 0.000 0.985 37 T CA 0.293 62.434 62.100 0.070 0.000 1.008 37 T CB 1.263 70.181 68.868 0.084 0.000 1.005 37 T HN 2.248 nan 8.240 nan 0.000 0.444 38 V N 3.435 123.397 119.914 0.080 0.000 2.667 38 V HA 0.964 5.085 4.120 0.001 0.000 0.308 38 V C -0.038 176.086 176.094 0.049 0.000 1.048 38 V CA -0.606 61.738 62.300 0.074 0.000 0.928 38 V CB 1.313 33.162 31.823 0.043 0.000 1.004 38 V HN 1.291 nan 8.190 nan 0.000 0.444 39 A N 6.846 129.634 122.820 -0.052 0.000 2.269 39 A HA 0.735 5.056 4.320 0.001 0.000 0.302 39 A C -0.590 177.127 177.584 0.222 0.000 1.266 39 A CA -0.495 51.551 52.037 0.016 0.000 0.894 39 A CB 0.183 18.916 19.000 -0.445 0.000 1.147 39 A HN 1.203 nan 8.150 nan 0.000 0.537 40 L N 5.561 126.924 121.223 0.234 0.000 2.381 40 L HA 0.573 4.914 4.340 0.001 0.000 0.274 40 L C -2.545 174.258 176.870 -0.111 0.000 0.988 40 L CA -2.355 52.534 54.840 0.081 0.000 0.824 40 L CB 3.254 45.348 42.059 0.058 0.000 1.263 40 L HN 0.460 nan 8.230 nan 0.000 0.410 41 P HA 0.325 nan 4.420 nan 0.000 0.291 41 P C -1.193 175.853 177.300 -0.422 0.000 1.378 41 P CA -0.265 62.353 63.100 -0.804 0.000 0.853 41 P CB 1.410 32.168 31.700 -1.569 0.000 1.002 42 L N 2.621 123.665 121.223 -0.297 0.000 2.260 42 L HA 0.866 5.206 4.340 0.001 0.000 0.265 42 L C 0.233 176.969 176.870 -0.224 0.000 1.015 42 L CA -1.310 53.419 54.840 -0.185 0.000 0.826 42 L CB 1.926 43.955 42.059 -0.051 0.000 1.373 42 L HN 0.256 nan 8.230 nan 0.000 0.450 43 A N 0.532 123.254 122.820 -0.164 0.000 2.319 43 A HA 0.830 5.150 4.320 0.001 0.000 0.310 43 A C -0.834 176.658 177.584 -0.153 0.000 1.152 43 A CA -0.356 51.577 52.037 -0.174 0.000 0.783 43 A CB 1.310 20.223 19.000 -0.145 0.000 1.184 43 A HN 0.666 nan 8.150 nan 0.000 0.474 44 A N 1.235 123.969 122.820 -0.143 0.000 2.380 44 A HA 0.702 5.022 4.320 0.001 0.000 0.315 44 A C 0.593 178.133 177.584 -0.074 0.000 1.101 44 A CA -0.346 51.631 52.037 -0.100 0.000 0.771 44 A CB 1.066 20.063 19.000 -0.005 0.000 1.287 44 A HN 0.972 nan 8.150 nan 0.000 0.436 45 S N 0.781 116.461 115.700 -0.033 0.000 2.671 45 S HA 0.161 4.631 4.470 0.001 0.000 0.220 45 S C -0.373 174.362 174.600 0.225 0.000 0.951 45 S CA -0.069 58.156 58.200 0.042 0.000 0.932 45 S CB -0.358 62.847 63.200 0.008 0.000 0.777 45 S HN 0.619 nan 8.310 nan 0.000 0.508 46 W N -0.377 120.881 121.300 -0.071 0.000 3.464 46 W HA 0.441 5.101 4.660 0.000 0.000 0.292 46 W C -0.868 175.537 176.519 -0.190 0.000 1.262 46 W CA -0.352 56.966 57.345 -0.046 0.000 1.202 46 W CB 0.951 30.429 29.460 0.030 0.000 1.334 46 W HN 0.193 nan 8.180 nan 0.000 0.561 47 G N 0.841 109.021 108.800 -1.034 0.000 2.339 47 G HA2 0.387 4.347 3.960 0.001 0.000 0.381 47 G HA3 0.387 4.347 3.960 0.001 0.000 0.381 47 G C 0.241 174.305 174.900 -1.395 0.000 1.400 47 G CA -0.208 44.186 45.100 -1.178 0.000 1.002 47 G HN 1.258 nan 8.290 nan 0.000 0.633 48 A N -0.128 121.985 122.820 -1.178 0.000 1.997 48 A HA 0.455 4.776 4.320 0.001 0.000 0.221 48 A C 1.997 179.354 177.584 -0.378 0.000 1.172 48 A CA 3.069 54.728 52.037 -0.629 0.000 0.645 48 A CB -0.961 17.842 19.000 -0.329 0.000 0.813 48 A HN 2.933 nan 8.150 nan 0.000 0.454 49 A N -2.415 120.147 122.820 -0.431 0.000 2.348 49 A HA 0.027 4.347 4.320 0.001 0.000 0.653 49 A C 0.693 178.085 177.584 -0.320 0.000 0.215 49 A CA 1.025 52.846 52.037 -0.360 0.000 0.165 49 A CB -1.854 16.999 19.000 -0.246 0.000 3.786 49 A HN 1.166 nan 8.150 nan 0.000 0.522 50 K N -0.700 119.420 120.400 -0.466 0.000 3.341 50 K HA -0.206 4.114 4.320 0.001 0.000 0.305 50 K C 0.072 176.579 176.600 -0.156 0.000 1.270 50 K CA 2.177 58.291 56.287 -0.289 0.000 0.897 50 K CB -0.936 31.525 32.500 -0.066 0.000 1.264 50 K HN 0.976 nan 8.250 nan 0.000 0.468 51 E N -0.870 119.108 120.200 -0.370 0.000 2.393 51 E HA 0.417 4.767 4.350 0.001 0.000 0.273 51 E C -0.702 175.795 176.600 -0.171 0.000 0.918 51 E CA -0.915 55.421 56.400 -0.107 0.000 0.773 51 E CB 1.086 30.754 29.700 -0.054 0.000 1.275 51 E HN -0.084 nan 8.360 nan 0.000 0.451 52 F N 0.599 120.627 119.950 0.130 0.000 2.378 52 F HA 0.400 4.927 4.527 0.000 0.000 0.319 52 F C 0.144 175.955 175.800 0.019 0.000 1.155 52 F CA -0.290 57.787 58.000 0.128 0.000 1.157 52 F CB 1.038 40.143 39.000 0.174 0.000 1.252 52 F HN 0.054 nan 8.300 nan 0.000 0.550 53 V N 1.318 121.395 119.914 0.271 0.000 2.612 53 V HA 0.194 4.314 4.120 0.001 0.000 0.301 53 V C -0.694 175.475 176.094 0.125 0.000 1.059 53 V CA -1.038 61.333 62.300 0.117 0.000 0.886 53 V CB 1.715 33.549 31.823 0.020 0.000 1.007 53 V HN 0.692 nan 8.190 nan 0.000 0.426 54 E N 5.253 125.503 120.200 0.084 0.000 2.200 54 E HA 0.620 4.971 4.350 0.001 0.000 0.283 54 E C -0.921 175.699 176.600 0.033 0.000 1.015 54 E CA -0.479 55.958 56.400 0.062 0.000 0.819 54 E CB 1.273 31.000 29.700 0.046 0.000 1.081 54 E HN 0.737 nan 8.360 nan 0.000 0.397 55 I N 2.398 122.982 120.570 0.023 0.000 2.533 55 I HA 0.432 4.602 4.170 0.001 0.000 0.290 55 I C -0.330 175.787 176.117 0.000 0.000 1.056 55 I CA -0.642 60.656 61.300 -0.004 0.000 1.057 55 I CB 1.907 39.882 38.000 -0.042 0.000 1.240 55 I HN 0.436 nan 8.210 nan 0.000 0.423 56 N N 4.116 122.815 118.700 -0.001 0.000 2.325 56 N HA 0.181 4.921 4.740 0.001 0.000 0.220 56 N C -0.495 175.015 175.510 -0.000 0.000 1.176 56 N CA -0.318 52.734 53.050 0.004 0.000 0.861 56 N CB 0.840 39.333 38.487 0.010 0.000 1.230 56 N HN 0.553 nan 8.380 nan 0.000 0.479 57 K N 1.048 121.445 120.400 -0.005 0.000 2.318 57 K HA 0.226 4.546 4.320 0.001 0.000 0.249 57 K C 0.676 177.266 176.600 -0.017 0.000 0.942 57 K CA -0.580 55.705 56.287 -0.004 0.000 0.808 57 K CB 2.689 35.191 32.500 0.003 0.000 1.189 57 K HN -0.091 nan 8.250 nan 0.000 0.428 58 E N 2.373 122.566 120.200 -0.013 0.000 2.114 58 E HA -0.311 4.039 4.350 0.001 0.000 0.199 58 E C 1.030 177.614 176.600 -0.027 0.000 1.008 58 E CA 1.930 58.316 56.400 -0.023 0.000 0.810 58 E CB 0.245 29.944 29.700 -0.002 0.000 0.739 58 E HN 0.650 nan 8.360 nan 0.000 0.456 59 E N 0.836 121.032 120.200 -0.007 0.000 2.130 59 E HA -0.255 4.096 4.350 0.001 0.000 0.196 59 E C 1.634 178.232 176.600 -0.004 0.000 0.998 59 E CA 1.411 57.813 56.400 0.002 0.000 0.806 59 E CB -0.540 29.168 29.700 0.013 0.000 0.738 59 E HN 0.379 nan 8.360 nan 0.000 0.459 60 D N 1.289 121.681 120.400 -0.014 0.000 2.133 60 D HA -0.124 4.517 4.640 0.001 0.000 0.195 60 D C 2.237 178.511 176.300 -0.044 0.000 0.997 60 D CA 1.290 55.281 54.000 -0.016 0.000 0.840 60 D CB -0.303 40.486 40.800 -0.019 0.000 0.947 60 D HN 0.086 nan 8.370 nan 0.000 0.452 61 V N 0.850 120.700 119.914 -0.106 0.000 2.231 61 V HA -0.281 3.839 4.120 0.001 0.000 0.248 61 V C 2.475 178.499 176.094 -0.117 0.000 1.054 61 V CA 2.207 64.373 62.300 -0.224 0.000 1.015 61 V CB -0.557 31.035 31.823 -0.384 0.000 0.638 61 V HN 0.228 nan 8.190 nan 0.000 0.444 62 E N -0.048 120.128 120.200 -0.041 0.000 2.077 62 E HA -0.260 4.090 4.350 0.001 0.000 0.193 62 E C 2.355 178.994 176.600 0.064 0.000 0.989 62 E CA 1.417 57.839 56.400 0.036 0.000 0.800 62 E CB -0.152 29.575 29.700 0.044 0.000 0.746 62 E HN 0.507 nan 8.360 nan 0.000 0.452 63 K N 0.302 120.740 120.400 0.064 0.000 2.148 63 K HA -0.159 4.162 4.320 0.001 0.000 0.204 63 K C 1.563 178.245 176.600 0.136 0.000 1.050 63 K CA 1.287 57.638 56.287 0.107 0.000 0.942 63 K CB 0.157 32.707 32.500 0.084 0.000 0.724 63 K HN -0.014 nan 8.250 nan 0.000 0.446 64 K N -0.646 119.819 120.400 0.108 0.000 2.348 64 K HA 0.075 4.395 4.320 0.001 0.000 0.194 64 K C 0.901 177.630 176.600 0.214 0.000 1.052 64 K CA 0.136 56.501 56.287 0.129 0.000 1.004 64 K CB 0.527 33.054 32.500 0.046 0.000 0.873 64 K HN -0.022 nan 8.250 nan 0.000 0.523 65 L N -0.808 120.539 121.223 0.207 0.000 2.966 65 L HA 0.324 4.664 4.340 0.001 0.000 0.262 65 L C 0.961 178.019 176.870 0.314 0.000 1.165 65 L CA 0.564 55.595 54.840 0.320 0.000 0.978 65 L CB 0.668 42.873 42.059 0.244 0.000 1.337 65 L HN 0.335 nan 8.230 nan 0.000 0.563 66 G N -0.562 108.310 108.800 0.120 0.000 2.220 66 G HA2 -0.235 3.725 3.960 0.001 0.000 0.269 66 G HA3 -0.235 3.725 3.960 0.001 0.000 0.269 66 G C 0.326 175.237 174.900 0.020 0.000 0.977 66 G CA 0.679 45.722 45.100 -0.095 0.000 0.634 66 G HN 0.149 nan 8.290 nan 0.000 0.539 67 L N -0.071 121.252 121.223 0.166 0.000 2.283 67 L HA 0.794 5.135 4.340 0.001 0.000 0.259 67 L C 0.793 177.841 176.870 0.297 0.000 1.027 67 L CA -0.528 54.450 54.840 0.230 0.000 0.828 67 L CB 1.224 43.388 42.059 0.174 0.000 1.380 67 L HN 0.214 nan 8.230 nan 0.000 0.425 68 S N 0.090 115.970 115.700 0.300 0.000 2.580 68 S HA 0.159 4.629 4.470 0.001 0.000 0.274 68 S C 0.949 175.748 174.600 0.331 0.000 1.329 68 S CA -0.445 57.893 58.200 0.230 0.000 1.036 68 S CB 0.522 63.823 63.200 0.168 0.000 0.919 68 S HN 0.501 nan 8.310 nan 0.000 0.515 69 L N 5.019 126.330 121.223 0.148 0.000 2.349 69 L HA 0.105 4.446 4.340 0.001 0.000 0.220 69 L C 2.107 179.132 176.870 0.258 0.000 1.130 69 L CA 2.237 57.145 54.840 0.113 0.000 0.791 69 L CB -1.045 41.008 42.059 -0.009 0.000 0.918 69 L HN 0.835 nan 8.230 nan 0.000 0.444 70 A N -2.108 120.842 122.820 0.217 0.000 2.169 70 A HA -0.068 4.252 4.320 0.001 0.000 0.212 70 A C 1.189 178.888 177.584 0.192 0.000 1.153 70 A CA -0.002 52.136 52.037 0.169 0.000 0.756 70 A CB -0.880 18.180 19.000 0.100 0.000 0.813 70 A HN 0.564 nan 8.150 nan 0.000 0.471 71 H N -0.311 118.864 119.070 0.175 0.000 2.913 71 H HA 0.040 4.596 4.556 0.000 0.000 0.365 71 H C 1.158 176.490 175.328 0.006 0.000 1.155 71 H CA 0.977 57.066 56.048 0.067 0.000 1.417 71 H CB 0.787 30.561 29.762 0.019 0.000 1.386 71 H HN 0.289 nan 8.280 nan 0.000 0.614 72 Q N 1.632 121.544 119.800 0.186 0.000 2.369 72 Q HA -0.052 4.288 4.340 0.001 0.000 0.206 72 Q C 1.840 177.892 176.000 0.087 0.000 0.963 72 Q CA 1.318 57.193 55.803 0.120 0.000 0.894 72 Q CB 0.090 28.838 28.738 0.016 0.000 0.965 72 Q HN 0.579 nan 8.270 nan 0.000 0.475 73 S N -0.579 115.128 115.700 0.011 0.000 2.447 73 S HA -0.028 4.442 4.470 0.001 0.000 0.233 73 S C 0.468 174.787 174.600 -0.468 0.000 1.006 73 S CA 0.683 58.606 58.200 -0.462 0.000 0.957 73 S CB -0.157 62.407 63.200 -1.060 0.000 0.773 73 S HN 0.441 nan 8.310 nan 0.000 0.507 74 F N 1.031 121.015 119.950 0.057 0.000 2.837 74 F HA 0.403 4.931 4.527 0.001 0.000 0.298 74 F C 1.373 177.204 175.800 0.051 0.000 1.161 74 F CA -0.485 57.538 58.000 0.037 0.000 1.353 74 F CB -0.234 38.790 39.000 0.040 0.000 0.951 74 F HN 0.085 nan 8.300 nan 0.000 0.508 75 L N 0.203 121.522 121.223 0.160 0.000 1.956 75 L HA -0.262 4.079 4.340 0.001 0.000 0.216 75 L C 2.233 179.183 176.870 0.133 0.000 1.073 75 L CA 1.919 56.834 54.840 0.126 0.000 0.762 75 L CB -0.307 41.795 42.059 0.071 0.000 0.889 75 L HN 0.317 nan 8.230 nan 0.000 0.433 76 L N -0.709 120.580 121.223 0.110 0.000 2.042 76 L HA -0.282 4.058 4.340 0.001 0.000 0.210 76 L C 2.617 179.559 176.870 0.121 0.000 1.076 76 L CA 0.943 55.846 54.840 0.105 0.000 0.749 76 L CB -0.765 41.337 42.059 0.070 0.000 0.893 76 L HN 0.379 nan 8.230 nan 0.000 0.432 77 L N 0.296 121.605 121.223 0.144 0.000 1.990 77 L HA -0.239 4.101 4.340 0.001 0.000 0.213 77 L C 2.774 179.705 176.870 0.101 0.000 1.072 77 L CA 1.814 56.725 54.840 0.118 0.000 0.755 77 L CB -0.591 41.546 42.059 0.131 0.000 0.889 77 L HN 0.112 nan 8.230 nan 0.000 0.432 78 R N -0.554 120.023 120.500 0.129 0.000 2.091 78 R HA -0.147 4.193 4.340 0.001 0.000 0.238 78 R C 2.051 178.430 176.300 0.132 0.000 1.136 78 R CA 1.460 57.630 56.100 0.117 0.000 0.959 78 R CB -0.503 29.876 30.300 0.132 0.000 0.856 78 R HN 0.465 nan 8.270 nan 0.000 0.437 79 E N 0.012 120.308 120.200 0.161 0.000 2.153 79 E HA -0.112 4.239 4.350 0.001 0.000 0.194 79 E C 1.926 178.638 176.600 0.187 0.000 0.988 79 E CA 1.356 57.887 56.400 0.218 0.000 0.811 79 E CB -0.206 29.648 29.700 0.256 0.000 0.746 79 E HN 0.352 nan 8.360 nan 0.000 0.466 80 T N 1.642 116.262 114.554 0.110 0.000 2.770 80 T HA -0.015 4.335 4.350 0.001 0.000 0.263 80 T C 2.082 176.785 174.700 0.005 0.000 1.039 80 T CA 0.497 62.618 62.100 0.036 0.000 1.142 80 T CB -0.208 68.682 68.868 0.038 0.000 0.868 80 T HN 0.085 nan 8.240 nan 0.000 0.435 81 L N 0.762 122.006 121.223 0.036 0.000 2.450 81 L HA -0.051 4.289 4.340 0.001 0.000 0.224 81 L C 2.429 179.320 176.870 0.035 0.000 1.149 81 L CA 0.959 55.815 54.840 0.026 0.000 0.816 81 L CB -0.471 41.607 42.059 0.031 0.000 0.932 81 L HN 0.236 nan 8.230 nan 0.000 0.449 82 K N -0.121 120.320 120.400 0.069 0.000 2.211 82 K HA -0.115 4.205 4.320 0.001 0.000 0.204 82 K C 1.526 178.153 176.600 0.045 0.000 1.047 82 K CA 1.079 57.429 56.287 0.104 0.000 0.935 82 K CB 0.120 32.760 32.500 0.234 0.000 0.728 82 K HN 0.376 nan 8.250 nan 0.000 0.452 83 L N -1.683 119.506 121.223 -0.056 0.000 3.154 83 L HA 0.242 4.582 4.340 0.001 0.000 0.280 83 L C 0.265 177.082 176.870 -0.089 0.000 1.134 83 L CA -0.366 54.416 54.840 -0.097 0.000 1.037 83 L CB 0.631 42.547 42.059 -0.238 0.000 1.571 83 L HN -0.111 nan 8.230 nan 0.000 0.576 84 A N 0.635 123.404 122.820 -0.085 0.000 2.363 84 A HA 0.210 4.530 4.320 0.001 0.000 0.270 84 A C 1.085 178.657 177.584 -0.019 0.000 1.121 84 A CA -0.122 51.883 52.037 -0.053 0.000 0.800 84 A CB 0.891 19.864 19.000 -0.045 0.000 1.052 84 A HN 0.208 nan 8.150 nan 0.000 0.493 85 K N 0.958 121.353 120.400 -0.010 0.000 2.076 85 K HA -0.002 4.319 4.320 0.001 0.000 0.204 85 K C -0.081 176.524 176.600 0.009 0.000 1.051 85 K CA 1.585 57.873 56.287 0.001 0.000 0.949 85 K CB 0.098 32.599 32.500 0.003 0.000 0.726 85 K HN 0.704 nan 8.250 nan 0.000 0.443 86 T N 0.523 115.086 114.554 0.015 0.000 2.876 86 T HA 0.468 4.818 4.350 0.001 0.000 0.289 86 T C -1.403 173.318 174.700 0.034 0.000 1.014 86 T CA -0.806 61.309 62.100 0.025 0.000 0.986 86 T CB 2.388 71.276 68.868 0.033 0.000 1.021 86 T HN -0.173 nan 8.240 nan 0.000 0.458 87 V N 3.492 123.428 119.914 0.037 0.000 2.531 87 V HA 0.415 4.536 4.120 0.001 0.000 0.301 87 V C -0.538 175.604 176.094 0.080 0.000 1.034 87 V CA -0.828 61.504 62.300 0.053 0.000 0.865 87 V CB 1.703 33.551 31.823 0.040 0.000 0.995 87 V HN 0.752 nan 8.190 nan 0.000 0.424 88 L N 5.305 126.596 121.223 0.113 0.000 2.315 88 L HA 0.425 4.765 4.340 0.001 0.000 0.278 88 L C -0.001 177.100 176.870 0.386 0.000 1.088 88 L CA -0.363 54.588 54.840 0.184 0.000 0.899 88 L CB 1.337 43.401 42.059 0.008 0.000 1.277 88 L HN 0.492 nan 8.230 nan 0.000 0.431 89 V N 4.300 124.385 119.914 0.285 0.000 2.508 89 V HA 0.113 4.234 4.120 0.001 0.000 0.281 89 V C -0.814 175.400 176.094 0.200 0.000 1.041 89 V CA -0.111 62.314 62.300 0.208 0.000 1.016 89 V CB 1.062 32.929 31.823 0.073 0.000 0.984 89 V HN 0.512 nan 8.190 nan 0.000 0.478 90 Y N 7.149 127.354 120.300 -0.157 0.000 2.331 90 Y HA 0.491 5.041 4.550 0.001 0.000 0.338 90 Y C 0.400 176.046 175.900 -0.424 0.000 0.976 90 Y CA -0.771 56.991 58.100 -0.564 0.000 1.137 90 Y CB 0.809 38.726 38.460 -0.906 0.000 1.172 90 Y HN 0.702 nan 8.280 nan 0.000 0.478 91 R N 7.104 127.073 120.500 -0.885 0.000 2.291 91 R HA 0.149 4.489 4.340 0.001 0.000 0.333 91 R C 0.286 176.054 176.300 -0.887 0.000 1.082 91 R CA 0.163 55.842 56.100 -0.701 0.000 0.948 91 R CB 0.182 30.157 30.300 -0.542 0.000 1.009 91 R HN 1.074 nan 8.270 nan 0.000 0.460 92 L N 3.161 124.055 121.223 -0.550 0.000 2.005 92 L HA -0.208 4.132 4.340 0.001 0.000 0.207 92 L C 1.170 177.863 176.870 -0.295 0.000 1.072 92 L CA 1.457 56.067 54.840 -0.384 0.000 0.744 92 L CB -0.496 41.308 42.059 -0.425 0.000 0.895 92 L HN 0.691 nan 8.230 nan 0.000 0.433 93 N N -1.255 117.288 118.700 -0.262 0.000 2.460 93 N HA 0.253 4.994 4.740 0.001 0.000 0.296 93 N C -0.371 175.024 175.510 -0.191 0.000 1.319 93 N CA -0.450 52.490 53.050 -0.184 0.000 0.945 93 N CB 0.344 38.746 38.487 -0.142 0.000 1.096 93 N HN 0.002 nan 8.380 nan 0.000 0.538 94 D N -4.300 116.018 120.400 -0.138 0.000 2.992 94 D HA 0.647 5.287 4.640 0.001 0.000 0.349 94 D C -1.303 174.949 176.300 -0.081 0.000 1.393 94 D CA 0.190 54.115 54.000 -0.126 0.000 0.887 94 D CB 1.066 41.798 40.800 -0.113 0.000 1.447 94 D HN 0.921 nan 8.370 nan 0.000 0.524 95 G N -0.438 108.324 108.800 -0.062 0.000 2.356 95 G HA2 0.380 4.340 3.960 0.001 0.000 0.294 95 G HA3 0.380 4.340 3.960 0.001 0.000 0.294 95 G C -1.209 173.678 174.900 -0.021 0.000 1.423 95 G CA -0.722 44.358 45.100 -0.034 0.000 0.806 95 G HN 0.370 nan 8.290 nan 0.000 0.527 96 I N 0.606 121.173 120.570 -0.006 0.000 2.692 96 I HA 0.144 4.314 4.170 0.001 0.000 0.284 96 I C 0.666 176.791 176.117 0.014 0.000 1.159 96 I CA 0.272 61.572 61.300 -0.000 0.000 1.423 96 I CB 0.717 38.720 38.000 0.005 0.000 1.380 96 I HN 0.363 nan 8.210 nan 0.000 0.580 97 K N 4.717 125.121 120.400 0.007 0.000 2.227 97 K HA 0.500 4.820 4.320 0.001 0.000 0.280 97 K C -0.009 176.614 176.600 0.038 0.000 1.041 97 K CA -0.526 55.774 56.287 0.021 0.000 0.905 97 K CB 1.190 33.681 32.500 -0.015 0.000 1.068 97 K HN 0.726 nan 8.250 nan 0.000 0.470 98 A N 3.012 125.877 122.820 0.076 0.000 2.531 98 A HA 0.197 4.517 4.320 0.001 0.000 0.236 98 A C 0.047 177.655 177.584 0.039 0.000 1.062 98 A CA 0.342 52.417 52.037 0.063 0.000 0.760 98 A CB 0.124 19.178 19.000 0.090 0.000 0.995 98 A HN 0.718 nan 8.150 nan 0.000 0.501 99 T N -0.092 114.477 114.554 0.025 0.000 2.831 99 T HA 0.891 5.241 4.350 0.001 0.000 0.287 99 T C -0.402 174.308 174.700 0.016 0.000 1.070 99 T CA 0.170 62.277 62.100 0.013 0.000 1.010 99 T CB 1.911 70.783 68.868 0.007 0.000 1.264 99 T HN 2.163 nan 8.240 nan 0.000 0.532 100 A N 0.391 123.220 122.820 0.015 0.000 2.574 100 A HA 0.571 4.892 4.320 0.001 0.000 0.298 100 A C -1.051 176.550 177.584 0.029 0.000 0.987 100 A CA -0.879 51.172 52.037 0.022 0.000 0.678 100 A CB 0.403 19.418 19.000 0.026 0.000 1.296 100 A HN 0.639 nan 8.150 nan 0.000 0.420 101 T N 2.257 116.830 114.554 0.032 0.000 2.770 101 T HA 0.525 4.875 4.350 0.001 0.000 0.297 101 T C 0.001 174.730 174.700 0.048 0.000 0.997 101 T CA -0.129 61.995 62.100 0.040 0.000 0.949 101 T CB 0.441 69.327 68.868 0.030 0.000 0.941 101 T HN 0.544 nan 8.240 nan 0.000 0.457 102 L N 3.082 124.347 121.223 0.069 0.000 2.395 102 L HA 0.473 4.813 4.340 0.001 0.000 0.269 102 L C 1.496 178.400 176.870 0.056 0.000 1.133 102 L CA -0.001 54.884 54.840 0.075 0.000 0.812 102 L CB 0.463 42.593 42.059 0.119 0.000 1.125 102 L HN 0.914 nan 8.230 nan 0.000 0.452 103 A N 3.052 125.899 122.820 0.045 0.000 5.081 103 A HA -0.345 3.975 4.320 0.001 0.000 0.368 103 A C 0.733 178.333 177.584 0.027 0.000 1.534 103 A CA 2.420 54.476 52.037 0.031 0.000 0.697 103 A CB -1.906 17.110 19.000 0.027 0.000 1.537 103 A HN 0.672 nan 8.150 nan 0.000 0.423 104 T N 0.381 114.951 114.554 0.026 0.000 2.892 104 T HA 0.520 4.870 4.350 0.001 0.000 0.311 104 T C -0.940 173.776 174.700 0.027 0.000 1.033 104 T CA 0.509 62.622 62.100 0.022 0.000 0.991 104 T CB 0.968 69.846 68.868 0.016 0.000 0.981 104 T HN 0.640 nan 8.240 nan 0.000 0.457 105 D N 1.422 121.838 120.400 0.028 0.000 2.802 105 D HA -0.112 4.528 4.640 0.001 0.000 0.229 105 D C -0.335 175.990 176.300 0.043 0.000 1.203 105 D CA 0.584 54.603 54.000 0.031 0.000 0.712 105 D CB -0.870 39.945 40.800 0.024 0.000 0.973 105 D HN 0.355 nan 8.370 nan 0.000 0.407 106 V N 0.831 120.780 119.914 0.058 0.000 2.384 106 V HA 0.145 4.265 4.120 0.001 0.000 0.257 106 V C 0.445 176.602 176.094 0.104 0.000 0.969 106 V CA -0.862 61.492 62.300 0.089 0.000 0.910 106 V CB 1.455 33.339 31.823 0.102 0.000 1.150 106 V HN 0.158 nan 8.190 nan 0.000 0.481 107 V N 3.303 123.262 119.914 0.075 0.000 2.486 107 V HA 0.006 4.127 4.120 0.001 0.000 0.290 107 V C 0.389 176.511 176.094 0.046 0.000 0.991 107 V CA 0.543 62.873 62.300 0.051 0.000 1.142 107 V CB 0.757 32.598 31.823 0.031 0.000 0.926 107 V HN 0.491 nan 8.190 nan 0.000 0.472 108 V N 5.550 125.475 119.914 0.019 0.000 2.334 108 V HA 0.487 4.607 4.120 0.001 0.000 0.281 108 V C 0.370 176.415 176.094 -0.082 0.000 1.016 108 V CA -0.324 61.932 62.300 -0.072 0.000 0.832 108 V CB 1.771 33.571 31.823 -0.038 0.000 0.999 108 V HN 1.009 nan 8.190 nan 0.000 0.439 109 T N 2.370 116.852 114.554 -0.121 0.000 2.888 109 T HA 0.833 5.184 4.350 0.001 0.000 0.284 109 T C 0.119 174.773 174.700 -0.078 0.000 1.017 109 T CA -0.331 61.726 62.100 -0.072 0.000 1.022 109 T CB 1.879 70.711 68.868 -0.061 0.000 1.013 109 T HN 0.919 nan 8.240 nan 0.000 0.465 110 A N 2.185 125.008 122.820 0.005 0.000 2.448 110 A HA 0.314 4.635 4.320 0.001 0.000 0.239 110 A C 1.518 179.082 177.584 -0.032 0.000 1.080 110 A CA -0.227 51.870 52.037 0.100 0.000 0.779 110 A CB 0.020 19.180 19.000 0.266 0.000 1.026 110 A HN 1.115 nan 8.150 nan 0.000 0.499 111 K N 0.068 120.425 120.400 -0.073 0.000 2.001 111 K HA -0.076 4.244 4.320 0.001 0.000 0.208 111 K C -0.354 175.834 176.600 -0.686 0.000 1.048 111 K CA 1.199 57.219 56.287 -0.445 0.000 0.932 111 K CB -0.231 31.891 32.500 -0.630 0.000 0.715 111 K HN 0.698 nan 8.250 nan 0.000 0.437 112 Y N -0.610 119.276 120.300 -0.690 0.000 2.596 112 Y HA 0.484 5.035 4.550 0.001 0.000 0.326 112 Y C 0.691 176.306 175.900 -0.476 0.000 1.167 112 Y CA -1.050 56.592 58.100 -0.765 0.000 1.246 112 Y CB 0.913 38.582 38.460 -1.318 0.000 1.347 112 Y HN 0.036 nan 8.280 nan 0.000 0.515 113 G N -0.804 107.913 108.800 -0.138 0.000 2.367 113 G HA2 0.557 4.517 3.960 0.001 0.000 0.314 113 G HA3 0.557 4.517 3.960 0.001 0.000 0.314 113 G C -0.414 174.495 174.900 0.014 0.000 1.130 113 G CA -0.077 44.996 45.100 -0.045 0.000 0.864 113 G HN 1.013 nan 8.290 nan 0.000 0.486 114 G N 0.401 109.260 108.800 0.098 0.000 2.333 114 G HA2 0.209 4.169 3.960 0.001 0.000 0.330 114 G HA3 0.209 4.169 3.960 0.001 0.000 0.330 114 G C 0.678 175.685 174.900 0.178 0.000 1.465 114 G CA -0.252 44.926 45.100 0.131 0.000 0.996 114 G HN 1.351 nan 8.290 nan 0.000 0.655 115 I N -0.874 119.765 120.570 0.114 0.000 2.850 115 I HA -0.037 4.134 4.170 0.001 0.000 0.266 115 I C 1.878 178.055 176.117 0.101 0.000 1.257 115 I CA 0.931 62.284 61.300 0.088 0.000 1.465 115 I CB -0.531 37.497 38.000 0.046 0.000 1.091 115 I HN 0.221 nan 8.210 nan 0.000 0.467 116 V N 2.277 122.291 119.914 0.167 0.000 2.667 116 V HA -0.085 4.035 4.120 0.001 0.000 0.252 116 V C 2.755 178.858 176.094 0.015 0.000 1.065 116 V CA 1.835 64.171 62.300 0.061 0.000 1.083 116 V CB -1.100 30.743 31.823 0.034 0.000 0.692 116 V HN 0.667 nan 8.190 nan 0.000 0.468 117 G N 0.516 109.453 108.800 0.228 0.000 2.471 117 G HA2 -0.205 3.755 3.960 0.001 0.000 0.219 117 G HA3 -0.205 3.755 3.960 0.001 0.000 0.219 117 G C 1.224 176.176 174.900 0.087 0.000 1.125 117 G CA 0.500 45.730 45.100 0.218 0.000 0.775 117 G HN 0.556 nan 8.290 nan 0.000 0.548 118 N N 0.773 119.511 118.700 0.063 0.000 2.521 118 N HA -0.005 4.736 4.740 0.001 0.000 0.188 118 N C 1.553 177.066 175.510 0.006 0.000 1.146 118 N CA 0.521 53.591 53.050 0.033 0.000 0.893 118 N CB 0.335 38.841 38.487 0.031 0.000 0.975 118 N HN 0.197 nan 8.380 nan 0.000 0.451 119 S N 0.019 115.708 115.700 -0.017 0.000 2.540 119 S HA 0.287 4.757 4.470 0.001 0.000 0.218 119 S C 0.826 175.399 174.600 -0.046 0.000 0.977 119 S CA -0.341 57.836 58.200 -0.038 0.000 0.918 119 S CB 0.853 64.016 63.200 -0.061 0.000 0.806 119 S HN 0.176 nan 8.310 nan 0.000 0.496 120 I N 2.209 122.758 120.570 -0.035 0.000 2.474 120 I HA 0.305 4.475 4.170 0.001 0.000 0.287 120 I C 0.318 176.446 176.117 0.019 0.000 1.048 120 I CA 0.105 61.393 61.300 -0.020 0.000 1.383 120 I CB 1.407 39.410 38.000 0.004 0.000 1.412 120 I HN -0.024 nan 8.210 nan 0.000 0.531 121 T N 6.584 121.171 114.554 0.055 0.000 3.237 121 T HA 0.516 4.866 4.350 0.001 0.000 0.319 121 T C -0.980 173.817 174.700 0.162 0.000 1.037 121 T CA -0.472 61.672 62.100 0.074 0.000 1.048 121 T CB 0.591 69.469 68.868 0.016 0.000 1.081 121 T HN 0.209 nan 8.240 nan 0.000 0.455 122 I N 4.717 125.370 120.570 0.139 0.000 2.331 122 I HA 0.493 4.663 4.170 0.001 0.000 0.292 122 I C 0.221 176.436 176.117 0.162 0.000 0.998 122 I CA -0.249 61.160 61.300 0.183 0.000 1.267 122 I CB 1.527 39.639 38.000 0.188 0.000 1.386 122 I HN 0.512 nan 8.210 nan 0.000 0.476 123 K N 6.680 127.207 120.400 0.211 0.000 2.507 123 K HA 0.555 4.875 4.320 0.001 0.000 0.253 123 K C -1.643 175.034 176.600 0.128 0.000 0.969 123 K CA -0.553 55.827 56.287 0.155 0.000 0.908 123 K CB 1.725 34.337 32.500 0.185 0.000 1.127 123 K HN 0.458 nan 8.250 nan 0.000 0.437 124 V N 4.521 124.484 119.914 0.082 0.000 2.370 124 V HA 0.355 4.475 4.120 0.001 0.000 0.279 124 V C -1.061 175.056 176.094 0.038 0.000 1.029 124 V CA -0.145 62.187 62.300 0.053 0.000 0.870 124 V CB 1.235 33.081 31.823 0.038 0.000 0.984 124 V HN 0.866 nan 8.190 nan 0.000 0.451 125 D N 3.830 124.249 120.400 0.032 0.000 2.650 125 D HA 0.439 5.080 4.640 0.001 0.000 0.255 125 D C -0.643 175.664 176.300 0.011 0.000 1.135 125 D CA -0.446 53.568 54.000 0.023 0.000 1.099 125 D CB 1.223 42.041 40.800 0.029 0.000 1.273 125 D HN 0.713 nan 8.370 nan 0.000 0.628 126 E N 0.226 120.431 120.200 0.008 0.000 2.231 126 E HA 0.181 4.532 4.350 0.001 0.000 0.277 126 E C -0.551 176.051 176.600 0.002 0.000 0.999 126 E CA -0.457 55.944 56.400 0.003 0.000 0.827 126 E CB 1.061 30.762 29.700 0.002 0.000 1.101 126 E HN 0.294 nan 8.360 nan 0.000 0.393 127 N N 2.376 121.074 118.700 -0.002 0.000 2.497 127 N HA -0.017 4.723 4.740 0.001 0.000 0.268 127 N C 1.188 176.697 175.510 -0.001 0.000 1.171 127 N CA -0.251 52.797 53.050 -0.003 0.000 0.948 127 N CB 0.953 39.436 38.487 -0.007 0.000 1.069 127 N HN 0.361 nan 8.380 nan 0.000 0.460 128 V N 1.647 121.561 119.914 0.000 0.000 2.788 128 V HA -0.024 4.096 4.120 0.001 0.000 0.251 128 V C 1.295 177.389 176.094 -0.000 0.000 1.068 128 V CA 0.880 63.181 62.300 0.001 0.000 1.090 128 V CB -0.058 31.767 31.823 0.003 0.000 0.710 128 V HN 0.483 nan 8.190 nan 0.000 0.467 129 V N 1.433 121.346 119.914 -0.002 0.000 3.577 129 V HA 0.359 4.479 4.120 0.001 0.000 0.294 129 V C 0.197 176.289 176.094 -0.003 0.000 1.317 129 V CA 0.967 63.266 62.300 -0.002 0.000 1.169 129 V CB -1.121 30.701 31.823 -0.002 0.000 1.011 129 V HN 0.749 nan 8.190 nan 0.000 0.426 130 D N -1.091 119.307 120.400 -0.004 0.000 2.676 130 D HA -0.033 4.607 4.640 0.001 0.000 0.170 130 D C 0.865 177.162 176.300 -0.005 0.000 1.202 130 D CA 0.217 54.214 54.000 -0.005 0.000 1.364 130 D CB 0.424 41.220 40.800 -0.006 0.000 1.411 130 D HN -0.108 nan 8.370 nan 0.000 0.664 131 S N 0.940 116.637 115.700 -0.004 0.000 2.488 131 S HA -0.181 4.289 4.470 0.001 0.000 0.246 131 S C 1.784 176.381 174.600 -0.005 0.000 0.992 131 S CA 2.051 60.248 58.200 -0.004 0.000 0.963 131 S CB 0.028 63.226 63.200 -0.002 0.000 0.754 131 S HN 0.526 nan 8.310 nan 0.000 0.519 132 S N -0.495 115.201 115.700 -0.006 0.000 2.496 132 S HA 0.204 4.675 4.470 0.001 0.000 0.224 132 S C 0.584 175.177 174.600 -0.011 0.000 0.996 132 S CA -0.129 58.066 58.200 -0.008 0.000 0.927 132 S CB 0.019 63.214 63.200 -0.008 0.000 0.774 132 S HN 0.432 nan 8.310 nan 0.000 0.524 133 K N 0.446 120.838 120.400 -0.012 0.000 2.211 133 K HA 0.628 4.948 4.320 0.001 0.000 0.237 133 K C -1.117 175.474 176.600 -0.016 0.000 1.002 133 K CA -0.885 55.392 56.287 -0.017 0.000 0.885 133 K CB 0.949 33.438 32.500 -0.019 0.000 1.136 133 K HN -0.050 nan 8.250 nan 0.000 0.448 134 K N 0.472 120.859 120.400 -0.023 0.000 2.281 134 K HA 0.292 4.612 4.320 0.001 0.000 0.242 134 K C -1.317 175.270 176.600 -0.021 0.000 0.971 134 K CA -0.700 55.576 56.287 -0.019 0.000 0.834 134 K CB 1.134 33.620 32.500 -0.023 0.000 1.181 134 K HN 0.301 nan 8.250 nan 0.000 0.435 135 D N 1.302 121.697 120.400 -0.009 0.000 2.505 135 D HA 0.164 4.805 4.640 0.001 0.000 0.242 135 D C -0.975 175.327 176.300 0.002 0.000 1.136 135 D CA -0.240 53.757 54.000 -0.006 0.000 0.954 135 D CB 0.568 41.372 40.800 0.006 0.000 1.002 135 D HN 0.091 nan 8.370 nan 0.000 0.512 136 V N 2.538 122.441 119.914 -0.018 0.000 2.405 136 V HA 0.283 4.403 4.120 0.001 0.000 0.264 136 V C 0.924 177.025 176.094 0.013 0.000 1.048 136 V CA -0.207 62.092 62.300 -0.002 0.000 0.966 136 V CB 0.655 32.437 31.823 -0.067 0.000 1.015 136 V HN 0.490 nan 8.190 nan 0.000 0.477 137 T N 1.563 116.140 114.554 0.038 0.000 2.887 137 T HA 0.624 4.974 4.350 0.001 0.000 0.288 137 T C -0.290 174.400 174.700 -0.016 0.000 1.021 137 T CA -0.580 61.495 62.100 -0.042 0.000 1.000 137 T CB 1.971 70.751 68.868 -0.147 0.000 1.034 137 T HN 0.481 nan 8.240 nan 0.000 0.467 138 T N 3.036 117.518 114.554 -0.122 0.000 2.797 138 T HA 0.579 4.929 4.350 0.001 0.000 0.279 138 T C -1.339 173.198 174.700 -0.273 0.000 0.991 138 T CA -0.329 61.735 62.100 -0.059 0.000 0.979 138 T CB 0.478 69.354 68.868 0.013 0.000 0.943 138 T HN 0.599 nan 8.240 nan 0.000 0.444 139 Y N 1.519 121.760 120.300 -0.099 0.000 2.509 139 Y HA 0.711 5.261 4.550 0.000 0.000 0.341 139 Y C -0.292 175.486 175.900 -0.203 0.000 1.038 139 Y CA -1.512 56.503 58.100 -0.142 0.000 1.089 139 Y CB 1.516 39.923 38.460 -0.087 0.000 1.241 139 Y HN 0.405 nan 8.280 nan 0.000 0.468 140 L N 3.375 124.555 121.223 -0.071 0.000 2.492 140 L HA 0.459 4.800 4.340 0.001 0.000 0.258 140 L C -0.834 175.988 176.870 -0.080 0.000 1.028 140 L CA -0.442 54.300 54.840 -0.163 0.000 0.900 140 L CB 0.053 41.892 42.059 -0.368 0.000 1.191 140 L HN 0.854 nan 8.230 nan 0.000 0.459 141 N N 2.896 121.573 118.700 -0.039 0.000 2.862 141 N HA -0.168 4.572 4.740 0.001 0.000 0.246 141 N C -0.174 175.335 175.510 -0.003 0.000 1.111 141 N CA 0.541 53.575 53.050 -0.027 0.000 0.688 141 N CB -0.474 37.994 38.487 -0.032 0.000 1.018 141 N HN 0.686 nan 8.380 nan 0.000 0.556 142 E N -2.033 118.175 120.200 0.012 0.000 3.496 142 E HA -0.171 4.179 4.350 0.001 0.000 0.300 142 E C -0.823 175.872 176.600 0.157 0.000 0.877 142 E CA 1.258 57.665 56.400 0.011 0.000 1.050 142 E CB -0.884 28.795 29.700 -0.034 0.000 1.532 142 E HN 0.440 nan 8.360 nan 0.000 0.447 143 V N -0.557 119.469 119.914 0.187 0.000 2.483 143 V HA 0.789 4.909 4.120 0.001 0.000 0.297 143 V C -0.087 176.012 176.094 0.008 0.000 1.027 143 V CA -0.282 62.092 62.300 0.123 0.000 0.855 143 V CB 1.537 33.369 31.823 0.016 0.000 0.995 143 V HN 0.334 nan 8.190 nan 0.000 0.424 144 A N 4.795 127.526 122.820 -0.148 0.000 2.531 144 A HA 0.465 4.786 4.320 0.001 0.000 0.236 144 A C 0.822 178.227 177.584 -0.299 0.000 1.062 144 A CA 0.681 52.422 52.037 -0.492 0.000 0.760 144 A CB 0.725 19.435 19.000 -0.482 0.000 0.995 144 A HN 2.028 nan 8.150 nan 0.000 0.501 145 V N -1.688 118.023 119.914 -0.337 0.000 3.392 145 V HA 0.427 4.547 4.120 0.001 0.000 0.285 145 V C -0.273 175.764 176.094 -0.094 0.000 1.582 145 V CA 0.673 62.821 62.300 -0.252 0.000 1.034 145 V CB -0.236 31.215 31.823 -0.620 0.000 0.846 145 V HN 0.872 nan 8.190 nan 0.000 0.431 146 D N 0.477 120.806 120.400 -0.117 0.000 2.726 146 D HA 0.369 5.010 4.640 0.001 0.000 0.203 146 D C -1.183 175.089 176.300 -0.047 0.000 1.297 146 D CA -0.113 53.883 54.000 -0.008 0.000 0.863 146 D CB 1.825 42.694 40.800 0.115 0.000 1.669 146 D HN 0.313 nan 8.370 nan 0.000 0.561 147 K N 2.949 123.328 120.400 -0.035 0.000 2.426 147 K HA 0.538 4.858 4.320 0.001 0.000 0.254 147 K C -1.194 175.395 176.600 -0.018 0.000 0.936 147 K CA -0.563 55.698 56.287 -0.043 0.000 0.801 147 K CB 1.408 33.868 32.500 -0.066 0.000 1.139 147 K HN 0.432 nan 8.250 nan 0.000 0.424 148 Q N 2.441 122.226 119.800 -0.024 0.000 2.321 148 Q HA 0.350 4.691 4.340 0.001 0.000 0.270 148 Q C -1.201 174.770 176.000 -0.048 0.000 1.032 148 Q CA -0.988 54.793 55.803 -0.037 0.000 0.784 148 Q CB 2.738 31.438 28.738 -0.064 0.000 1.264 148 Q HN 0.299 nan 8.270 nan 0.000 0.448 149 V N 3.992 123.882 119.914 -0.039 0.000 2.270 149 V HA 0.260 4.380 4.120 0.001 0.000 0.263 149 V C -0.023 176.045 176.094 -0.043 0.000 1.066 149 V CA -0.451 61.827 62.300 -0.036 0.000 0.857 149 V CB 0.492 32.301 31.823 -0.023 0.000 1.099 149 V HN 0.560 nan 8.190 nan 0.000 0.476 150 V N 1.896 121.774 119.914 -0.059 0.000 3.019 150 V HA 0.961 5.081 4.120 0.001 0.000 0.317 150 V C 0.864 176.927 176.094 -0.052 0.000 1.094 150 V CA 0.234 62.496 62.300 -0.063 0.000 1.000 150 V CB 1.861 33.625 31.823 -0.098 0.000 1.060 150 V HN 0.521 nan 8.190 nan 0.000 0.443 151 G N 0.225 108.998 108.800 -0.045 0.000 2.641 151 G HA2 0.266 4.227 3.960 0.001 0.000 0.207 151 G HA3 0.266 4.227 3.960 0.001 0.000 0.207 151 G C 0.621 175.499 174.900 -0.037 0.000 1.137 151 G CA 0.884 45.963 45.100 -0.034 0.000 0.824 151 G HN 0.959 nan 8.290 nan 0.000 0.547 152 T N -1.010 113.518 114.554 -0.043 0.000 2.950 152 T HA 0.556 4.906 4.350 0.001 0.000 0.288 152 T C 1.559 176.221 174.700 -0.063 0.000 1.035 152 T CA 0.370 62.446 62.100 -0.042 0.000 1.028 152 T CB 1.632 70.482 68.868 -0.029 0.000 1.109 152 T HN 0.200 nan 8.240 nan 0.000 0.514 153 A N 1.901 124.689 122.820 -0.054 0.000 1.972 153 A HA 0.008 4.329 4.320 0.001 0.000 0.219 153 A C 2.475 180.015 177.584 -0.073 0.000 1.169 153 A CA 2.286 54.281 52.037 -0.070 0.000 0.635 153 A CB -1.057 17.926 19.000 -0.028 0.000 0.810 153 A HN 0.784 nan 8.150 nan 0.000 0.446 154 S N -0.160 115.514 115.700 -0.043 0.000 2.382 154 S HA -0.146 4.325 4.470 0.001 0.000 0.228 154 S C 1.542 176.114 174.600 -0.046 0.000 1.027 154 S CA 1.311 59.493 58.200 -0.030 0.000 0.991 154 S CB -0.299 62.892 63.200 -0.016 0.000 0.823 154 S HN 0.730 nan 8.310 nan 0.000 0.469 155 E N 0.628 120.790 120.200 -0.063 0.000 2.510 155 E HA -0.005 4.345 4.350 0.001 0.000 0.202 155 E C -0.337 176.200 176.600 -0.104 0.000 1.072 155 E CA 0.178 56.538 56.400 -0.067 0.000 0.883 155 E CB -0.234 29.428 29.700 -0.063 0.000 0.818 155 E HN 0.461 nan 8.360 nan 0.000 0.548 156 L N 2.104 123.225 121.223 -0.169 0.000 2.315 156 L HA 0.228 4.568 4.340 0.001 0.000 0.283 156 L C 0.004 176.821 176.870 -0.089 0.000 1.089 156 L CA -0.173 54.485 54.840 -0.304 0.000 0.833 156 L CB 0.515 42.135 42.059 -0.731 0.000 1.170 156 L HN -0.035 nan 8.230 nan 0.000 0.442 157 I N 2.791 123.357 120.570 -0.006 0.000 2.336 157 I HA 0.172 4.343 4.170 0.001 0.000 0.292 157 I C -0.061 176.196 176.117 0.233 0.000 0.991 157 I CA -0.913 60.446 61.300 0.098 0.000 1.227 157 I CB 1.252 39.285 38.000 0.055 0.000 1.366 157 I HN 0.462 nan 8.210 nan 0.000 0.466 158 D N 4.392 124.928 120.400 0.227 0.000 2.506 158 D HA 0.115 4.755 4.640 0.001 0.000 0.234 158 D C 0.246 176.619 176.300 0.120 0.000 1.143 158 D CA 0.468 54.578 54.000 0.182 0.000 0.871 158 D CB 0.701 41.535 40.800 0.058 0.000 1.190 158 D HN 0.627 nan 8.370 nan 0.000 0.459 159 S N 0.672 116.429 115.700 0.096 0.000 2.798 159 S HA 0.334 4.804 4.470 0.001 0.000 0.312 159 S C 0.483 175.065 174.600 -0.030 0.000 1.122 159 S CA -0.964 57.283 58.200 0.079 0.000 0.949 159 S CB 0.871 64.183 63.200 0.186 0.000 1.235 159 S HN 0.408 nan 8.310 nan 0.000 0.552 160 N N -0.457 118.185 118.700 -0.097 0.000 2.485 160 N HA 0.160 4.900 4.740 0.001 0.000 0.199 160 N C -0.446 174.758 175.510 -0.510 0.000 1.236 160 N CA 0.413 53.279 53.050 -0.308 0.000 0.852 160 N CB -0.125 38.142 38.487 -0.367 0.000 1.018 160 N HN 0.504 nan 8.380 nan 0.000 0.457 161 Y N -1.181 119.179 120.300 0.099 0.000 2.640 161 Y HA 0.177 4.728 4.550 0.000 0.000 0.274 161 Y C 0.581 176.511 175.900 0.051 0.000 1.164 161 Y CA -0.466 57.722 58.100 0.146 0.000 1.189 161 Y CB 0.536 39.025 38.460 0.048 0.000 1.333 161 Y HN -0.157 nan 8.280 nan 0.000 0.494 162 V N -2.812 117.123 119.914 0.035 0.000 3.158 162 V HA 0.858 4.978 4.120 0.001 0.000 0.311 162 V C -0.475 175.400 176.094 -0.366 0.000 1.181 162 V CA -1.099 61.070 62.300 -0.219 0.000 1.054 162 V CB 1.986 33.538 31.823 -0.451 0.000 1.085 162 V HN -0.127 nan 8.190 nan 0.000 0.446 163 S N 1.064 116.472 115.700 -0.486 0.000 2.775 163 S HA 0.683 5.153 4.470 0.001 0.000 0.277 163 S C -1.055 173.330 174.600 -0.359 0.000 1.156 163 S CA -0.246 57.751 58.200 -0.338 0.000 1.081 163 S CB 0.565 63.659 63.200 -0.176 0.000 1.054 163 S HN 0.553 nan 8.310 nan 0.000 0.482 164 F N 2.275 122.231 119.950 0.009 0.000 2.412 164 F HA 0.419 4.946 4.527 0.001 0.000 0.348 164 F C 0.964 176.766 175.800 0.005 0.000 1.102 164 F CA -0.491 57.515 58.000 0.011 0.000 1.196 164 F CB 0.694 39.702 39.000 0.013 0.000 1.144 164 F HN 0.209 nan 8.300 nan 0.000 0.541 165 K N 1.807 122.306 120.400 0.164 0.000 2.473 165 K HA 0.172 4.492 4.320 0.001 0.000 0.246 165 K C -0.229 176.424 176.600 0.088 0.000 1.011 165 K CA -0.428 55.915 56.287 0.094 0.000 0.984 165 K CB 1.316 33.845 32.500 0.050 0.000 1.250 165 K HN 0.646 nan 8.250 nan 0.000 0.454 166 T N 1.524 116.125 114.554 0.078 0.000 2.799 166 T HA 0.065 4.416 4.350 0.001 0.000 0.296 166 T C 0.176 174.897 174.700 0.035 0.000 0.947 166 T CA 0.370 62.501 62.100 0.051 0.000 1.141 166 T CB 0.582 69.472 68.868 0.036 0.000 0.891 166 T HN 0.491 nan 8.240 nan 0.000 0.533 167 T N 2.739 117.311 114.554 0.030 0.000 2.804 167 T HA 0.446 4.796 4.350 0.001 0.000 0.272 167 T C 1.613 176.322 174.700 0.016 0.000 0.986 167 T CA -0.294 61.819 62.100 0.022 0.000 0.999 167 T CB 0.986 69.867 68.868 0.022 0.000 1.307 167 T HN 0.600 nan 8.240 nan 0.000 0.586 168 S N 0.674 116.382 115.700 0.013 0.000 2.338 168 S HA -0.055 4.415 4.470 0.001 0.000 0.218 168 S C 1.839 176.444 174.600 0.009 0.000 1.032 168 S CA 1.785 59.991 58.200 0.010 0.000 0.999 168 S CB -0.714 62.491 63.200 0.008 0.000 0.905 168 S HN 0.949 nan 8.310 nan 0.000 0.439 169 T N 0.886 115.446 114.554 0.010 0.000 3.584 169 T HA 0.179 4.529 4.350 0.001 0.000 0.252 169 T C 0.223 174.930 174.700 0.012 0.000 1.103 169 T CA -0.177 61.928 62.100 0.010 0.000 0.977 169 T CB -0.545 68.329 68.868 0.010 0.000 1.044 169 T HN -0.014 nan 8.240 nan 0.000 0.589 170 S N 2.641 118.348 115.700 0.012 0.000 2.465 170 S HA 0.223 4.693 4.470 0.001 0.000 0.280 170 S C 0.052 174.656 174.600 0.007 0.000 1.232 170 S CA -0.300 57.908 58.200 0.013 0.000 1.066 170 S CB 0.278 63.487 63.200 0.014 0.000 0.929 170 S HN 0.462 nan 8.310 nan 0.000 0.494 171 E N 2.652 122.857 120.200 0.009 0.000 2.265 171 E HA 0.184 4.534 4.350 0.001 0.000 0.262 171 E C -0.985 175.618 176.600 0.005 0.000 0.889 171 E CA -0.398 56.004 56.400 0.004 0.000 0.789 171 E CB 1.652 31.356 29.700 0.005 0.000 1.221 171 E HN 0.510 nan 8.360 nan 0.000 0.414 172 L N 3.719 124.941 121.223 -0.003 0.000 2.462 172 L HA 0.080 4.420 4.340 0.001 0.000 0.283 172 L C -0.029 176.841 176.870 0.000 0.000 1.166 172 L CA -0.031 54.806 54.840 -0.004 0.000 0.964 172 L CB 0.103 42.149 42.059 -0.022 0.000 1.294 172 L HN 0.281 nan 8.230 nan 0.000 0.449 173 Q N 1.878 121.683 119.800 0.008 0.000 2.259 173 Q HA 0.176 4.516 4.340 0.001 0.000 0.246 173 Q C -0.325 175.682 176.000 0.012 0.000 0.920 173 Q CA -0.377 55.431 55.803 0.009 0.000 0.895 173 Q CB 1.416 30.161 28.738 0.011 0.000 1.220 173 Q HN 0.504 nan 8.270 nan 0.000 0.439 174 Q N 0.435 120.241 119.800 0.010 0.000 2.361 174 Q HA 0.345 4.685 4.340 0.001 0.000 0.276 174 Q C -0.863 175.147 176.000 0.017 0.000 1.022 174 Q CA 0.140 55.951 55.803 0.013 0.000 0.898 174 Q CB 1.044 29.788 28.738 0.010 0.000 1.246 174 Q HN 0.339 nan 8.270 nan 0.000 0.410 175 S N 1.568 117.282 115.700 0.023 0.000 2.538 175 S HA 0.405 4.875 4.470 0.001 0.000 0.288 175 S C 0.362 174.974 174.600 0.021 0.000 1.108 175 S CA -0.178 58.036 58.200 0.023 0.000 0.971 175 S CB 1.159 64.378 63.200 0.032 0.000 1.041 175 S HN 0.828 nan 8.310 nan 0.000 0.483 176 S N 2.861 118.567 115.700 0.009 0.000 2.423 176 S HA 0.322 4.792 4.470 0.001 0.000 0.231 176 S C 1.010 175.603 174.600 -0.012 0.000 1.014 176 S CA 0.448 58.647 58.200 -0.002 0.000 0.965 176 S CB -0.277 62.917 63.200 -0.010 0.000 0.785 176 S HN 1.750 nan 8.310 nan 0.000 0.495 177 G N 0.522 109.321 108.800 -0.003 0.000 2.225 177 G HA2 0.283 4.243 3.960 0.001 0.000 0.184 177 G HA3 0.283 4.243 3.960 0.001 0.000 0.184 177 G C -0.712 174.186 174.900 -0.003 0.000 2.549 177 G CA -0.364 44.728 45.100 -0.012 0.000 0.925 177 G HN 0.362 nan 8.290 nan 0.000 0.550 178 T N 0.631 115.198 114.554 0.021 0.000 2.744 178 T HA 0.657 5.007 4.350 0.001 0.000 0.291 178 T C 0.596 175.312 174.700 0.026 0.000 0.957 178 T CA 0.413 62.526 62.100 0.023 0.000 1.002 178 T CB 1.190 70.079 68.868 0.035 0.000 0.919 178 T HN 0.948 nan 8.240 nan 0.000 0.468 179 T N 5.159 119.721 114.554 0.013 0.000 2.907 179 T HA 0.579 4.930 4.350 0.001 0.000 0.284 179 T C -0.013 174.698 174.700 0.019 0.000 1.004 179 T CA -0.833 61.275 62.100 0.014 0.000 1.063 179 T CB 0.270 69.136 68.868 -0.002 0.000 0.992 179 T HN 0.448 nan 8.240 nan 0.000 0.483 180 L N 4.218 125.455 121.223 0.024 0.000 2.464 180 L HA 0.692 5.033 4.340 0.001 0.000 0.264 180 L C 0.358 177.243 176.870 0.025 0.000 1.199 180 L CA 0.184 55.040 54.840 0.027 0.000 0.818 180 L CB 1.039 43.120 42.059 0.036 0.000 1.102 180 L HN 0.534 nan 8.230 nan 0.000 0.473 181 V N -0.340 119.589 119.914 0.026 0.000 3.242 181 V HA 0.746 4.866 4.120 0.001 0.000 0.298 181 V C 0.271 176.380 176.094 0.025 0.000 1.352 181 V CA 0.321 62.635 62.300 0.024 0.000 1.052 181 V CB 1.937 33.770 31.823 0.016 0.000 1.101 181 V HN 0.846 nan 8.190 nan 0.000 0.446 182 G N 2.752 111.567 108.800 0.024 0.000 2.179 182 G HA2 -0.041 3.919 3.960 0.001 0.000 0.220 182 G HA3 -0.041 3.919 3.960 0.001 0.000 0.220 182 G C 0.626 175.544 174.900 0.029 0.000 0.990 182 G CA 0.141 45.254 45.100 0.022 0.000 0.646 182 G HN 1.931 nan 8.290 nan 0.000 0.517 183 G N 0.520 109.346 108.800 0.043 0.000 2.378 183 G HA2 0.659 4.619 3.960 0.001 0.000 0.255 183 G HA3 0.659 4.619 3.960 0.001 0.000 0.255 183 G C 0.264 175.191 174.900 0.044 0.000 1.270 183 G CA 1.267 46.403 45.100 0.060 0.000 0.876 183 G HN 1.585 nan 8.290 nan 0.000 0.521 184 T N -0.694 113.883 114.554 0.037 0.000 2.889 184 T HA 0.563 4.914 4.350 0.001 0.000 0.315 184 T C -1.719 172.988 174.700 0.011 0.000 1.291 184 T CA -1.094 61.019 62.100 0.021 0.000 1.028 184 T CB 2.534 71.407 68.868 0.010 0.000 1.235 184 T HN 0.454 nan 8.240 nan 0.000 0.491 185 D N 2.102 122.501 120.400 -0.001 0.000 2.492 185 D HA 0.235 4.875 4.640 0.001 0.000 0.248 185 D C -0.112 176.171 176.300 -0.028 0.000 1.101 185 D CA -0.648 53.340 54.000 -0.020 0.000 0.840 185 D CB 1.694 42.476 40.800 -0.029 0.000 1.209 185 D HN 0.798 nan 8.370 nan 0.000 0.524 186 Q N 1.279 121.058 119.800 -0.034 0.000 2.314 186 Q HA 0.301 4.641 4.340 0.001 0.000 0.258 186 Q C -2.281 173.695 176.000 -0.039 0.000 0.954 186 Q CA -1.466 54.318 55.803 -0.031 0.000 0.890 186 Q CB 0.561 29.281 28.738 -0.030 0.000 1.210 186 Q HN 0.201 nan 8.270 nan 0.000 0.410 187 P HA -0.080 nan 4.420 nan 0.000 0.269 187 P C -0.259 177.023 177.300 -0.030 0.000 1.211 187 P CA -0.160 62.922 63.100 -0.030 0.000 0.781 187 P CB 0.436 32.125 31.700 -0.018 0.000 0.877 188 V N 1.604 121.501 119.914 -0.029 0.000 2.479 188 V HA 0.131 4.251 4.120 0.001 0.000 0.281 188 V C 1.327 177.439 176.094 0.030 0.000 1.031 188 V CA 0.242 62.529 62.300 -0.021 0.000 1.038 188 V CB 0.092 31.904 31.823 -0.018 0.000 0.981 188 V HN 0.755 nan 8.190 nan 0.000 0.478 189 T N 2.647 117.222 114.554 0.035 0.000 2.902 189 T HA 0.233 4.583 4.350 0.001 0.000 0.283 189 T C 1.101 175.883 174.700 0.136 0.000 1.009 189 T CA -0.415 61.722 62.100 0.061 0.000 1.051 189 T CB 0.679 69.569 68.868 0.037 0.000 0.999 189 T HN 0.737 nan 8.240 nan 0.000 0.474 190 N N 1.889 120.663 118.700 0.124 0.000 2.348 190 N HA -0.082 4.658 4.740 0.001 0.000 0.185 190 N C 1.683 177.310 175.510 0.195 0.000 1.019 190 N CA 0.559 53.707 53.050 0.164 0.000 0.880 190 N CB -0.168 38.357 38.487 0.064 0.000 0.965 190 N HN 0.545 nan 8.380 nan 0.000 0.437 191 L N 0.918 122.219 121.223 0.131 0.000 2.083 191 L HA -0.183 4.157 4.340 0.001 0.000 0.209 191 L C 1.620 178.571 176.870 0.135 0.000 1.083 191 L CA 1.191 56.100 54.840 0.115 0.000 0.752 191 L CB -0.213 41.889 42.059 0.071 0.000 0.899 191 L HN 0.100 nan 8.230 nan 0.000 0.433 192 D N -1.026 119.443 120.400 0.115 0.000 2.123 192 D HA -0.238 4.402 4.640 0.001 0.000 0.196 192 D C 2.014 178.372 176.300 0.098 0.000 0.992 192 D CA 1.527 55.568 54.000 0.068 0.000 0.833 192 D CB -0.303 40.469 40.800 -0.046 0.000 0.954 192 D HN 0.341 nan 8.370 nan 0.000 0.455 193 Y N 0.949 121.320 120.300 0.118 0.000 2.333 193 Y HA -0.133 4.417 4.550 0.001 0.000 0.290 193 Y C 2.622 178.689 175.900 0.278 0.000 1.144 193 Y CA 1.164 59.391 58.100 0.212 0.000 1.228 193 Y CB -0.371 38.178 38.460 0.149 0.000 0.985 193 Y HN -0.046 nan 8.280 nan 0.000 0.542 194 T N -0.928 113.813 114.554 0.311 0.000 2.770 194 T HA -0.165 4.185 4.350 0.001 0.000 0.263 194 T C 1.861 176.609 174.700 0.081 0.000 1.039 194 T CA 1.070 63.279 62.100 0.182 0.000 1.142 194 T CB -0.163 68.787 68.868 0.137 0.000 0.868 194 T HN 0.184 nan 8.240 nan 0.000 0.435 195 Q N 0.336 120.192 119.800 0.093 0.000 2.181 195 Q HA -0.046 4.294 4.340 0.001 0.000 0.205 195 Q C 1.930 177.871 176.000 -0.098 0.000 0.980 195 Q CA 1.160 56.994 55.803 0.052 0.000 0.862 195 Q CB -0.571 28.245 28.738 0.130 0.000 0.905 195 Q HN 0.679 nan 8.270 nan 0.000 0.429 196 F N 0.432 120.159 119.950 -0.372 0.000 2.102 196 F HA -0.213 4.315 4.527 0.000 0.000 0.298 196 F C 1.860 177.324 175.800 -0.560 0.000 1.105 196 F CA 1.037 58.468 58.000 -0.947 0.000 1.239 196 F CB -0.089 38.557 39.000 -0.590 0.000 0.991 196 F HN -0.001 nan 8.300 nan 0.000 0.474 197 L N -0.002 120.844 121.223 -0.629 0.000 2.191 197 L HA -0.186 4.154 4.340 0.001 0.000 0.212 197 L C 2.204 178.716 176.870 -0.596 0.000 1.103 197 L CA 0.610 54.861 54.840 -0.981 0.000 0.769 197 L CB -0.667 40.895 42.059 -0.828 0.000 0.908 197 L HN 0.151 nan 8.230 nan 0.000 0.438 198 V N -1.453 118.294 119.914 -0.279 0.000 2.407 198 V HA -0.175 3.945 4.120 0.001 0.000 0.245 198 V C 2.418 178.497 176.094 -0.025 0.000 1.041 198 V CA 1.761 64.014 62.300 -0.077 0.000 1.040 198 V CB -0.191 31.620 31.823 -0.020 0.000 0.671 198 V HN 0.332 nan 8.190 nan 0.000 0.455 199 S N 0.467 116.121 115.700 -0.077 0.000 2.453 199 S HA 0.004 4.474 4.470 0.001 0.000 0.231 199 S C 2.153 176.900 174.600 0.246 0.000 1.005 199 S CA 1.016 59.276 58.200 0.100 0.000 0.949 199 S CB -0.302 62.960 63.200 0.103 0.000 0.774 199 S HN 0.611 nan 8.310 nan 0.000 0.510 200 A N 1.791 124.641 122.820 0.049 0.000 2.070 200 A HA -0.128 4.193 4.320 0.001 0.000 0.220 200 A C 1.917 179.708 177.584 0.345 0.000 1.159 200 A CA 1.071 53.195 52.037 0.145 0.000 0.656 200 A CB -0.391 18.432 19.000 -0.295 0.000 0.800 200 A HN 0.542 nan 8.150 nan 0.000 0.453 201 E N -0.625 119.735 120.200 0.268 0.000 2.150 201 E HA -0.107 4.243 4.350 0.001 0.000 0.193 201 E C 1.560 178.247 176.600 0.145 0.000 0.985 201 E CA 0.797 57.342 56.400 0.241 0.000 0.814 201 E CB -0.214 29.599 29.700 0.187 0.000 0.752 201 E HN 0.584 nan 8.360 nan 0.000 0.466 202 G N 1.013 109.884 108.800 0.119 0.000 3.518 202 G HA2 0.011 3.972 3.960 0.001 0.000 0.273 202 G HA3 0.011 3.972 3.960 0.001 0.000 0.273 202 G C 0.037 174.900 174.900 -0.062 0.000 1.199 202 G CA -0.175 44.945 45.100 0.033 0.000 0.899 202 G HN -0.067 nan 8.290 nan 0.000 0.533 203 E N -0.011 120.181 120.200 -0.013 0.000 2.288 203 E HA 0.278 4.629 4.350 0.001 0.000 0.268 203 E C -1.233 175.386 176.600 0.033 0.000 0.885 203 E CA -0.733 55.613 56.400 -0.090 0.000 0.767 203 E CB 1.900 31.485 29.700 -0.193 0.000 1.220 203 E HN 0.331 nan 8.360 nan 0.000 0.427 204 Y N 2.563 122.793 120.300 -0.116 0.000 2.434 204 Y HA 0.330 4.881 4.550 0.000 0.000 0.341 204 Y C -0.032 175.795 175.900 -0.121 0.000 0.965 204 Y CA -0.987 56.984 58.100 -0.215 0.000 1.205 204 Y CB 0.333 38.712 38.460 -0.135 0.000 1.121 204 Y HN 0.351 nan 8.280 nan 0.000 0.507 205 F N -0.941 119.054 119.950 0.075 0.000 2.643 205 F HA 0.522 5.049 4.527 0.000 0.000 0.314 205 F C -0.558 175.251 175.800 0.015 0.000 1.096 205 F CA -1.614 56.401 58.000 0.024 0.000 0.953 205 F CB 1.099 40.100 39.000 0.002 0.000 1.345 205 F HN 0.152 nan 8.300 nan 0.000 0.468 206 D N -0.271 120.284 120.400 0.258 0.000 2.197 206 D HA 0.154 4.794 4.640 0.001 0.000 0.212 206 D C -0.073 176.387 176.300 0.267 0.000 0.963 206 D CA 1.332 55.419 54.000 0.144 0.000 0.864 206 D CB 0.319 41.162 40.800 0.072 0.000 1.009 206 D HN 0.593 nan 8.370 nan 0.000 0.479 207 T N 0.015 114.772 114.554 0.339 0.000 2.893 207 T HA 0.553 4.903 4.350 0.001 0.000 0.291 207 T C -0.947 173.887 174.700 0.223 0.000 1.028 207 T CA -0.622 61.642 62.100 0.272 0.000 0.995 207 T CB 2.299 71.237 68.868 0.117 0.000 1.051 207 T HN -0.053 nan 8.240 nan 0.000 0.470 208 I N 1.884 122.580 120.570 0.210 0.000 2.465 208 I HA 0.740 4.911 4.170 0.001 0.000 0.291 208 I C -0.676 175.632 176.117 0.318 0.000 1.014 208 I CA -0.896 60.471 61.300 0.111 0.000 1.093 208 I CB 1.049 39.094 38.000 0.074 0.000 1.267 208 I HN 0.776 nan 8.210 nan 0.000 0.431 209 A N 6.637 129.618 122.820 0.269 0.000 2.312 209 A HA 0.562 4.883 4.320 0.001 0.000 0.326 209 A C -1.251 176.478 177.584 0.241 0.000 1.172 209 A CA -0.340 51.830 52.037 0.221 0.000 0.821 209 A CB 0.548 19.623 19.000 0.126 0.000 1.166 209 A HN 0.740 nan 8.150 nan 0.000 0.493 210 F N 4.510 124.342 119.950 -0.197 0.000 2.550 210 F HA 0.371 4.899 4.527 0.000 0.000 0.348 210 F C -1.822 173.860 175.800 -0.196 0.000 1.219 210 F CA -1.945 55.813 58.000 -0.405 0.000 1.203 210 F CB 2.124 40.251 39.000 -1.455 0.000 1.436 210 F HN 0.448 nan 8.300 nan 0.000 0.541 211 P HA -0.042 nan 4.420 nan 0.000 0.269 211 P C 0.216 177.429 177.300 -0.145 0.000 1.601 211 P CA 0.573 63.637 63.100 -0.059 0.000 0.831 211 P CB 0.218 31.924 31.700 0.008 0.000 1.688 212 V N 0.422 120.028 119.914 -0.512 0.000 2.715 212 V HA 0.094 4.214 4.120 0.001 0.000 0.299 212 V C 0.804 176.630 176.094 -0.446 0.000 1.054 212 V CA -0.099 61.777 62.300 -0.706 0.000 1.077 212 V CB 0.985 32.169 31.823 -1.065 0.000 0.972 212 V HN 0.250 nan 8.190 nan 0.000 0.484 213 S N 4.253 119.623 115.700 -0.551 0.000 2.558 213 S HA 0.008 4.478 4.470 0.001 0.000 0.288 213 S C 1.395 175.778 174.600 -0.361 0.000 1.318 213 S CA 0.469 58.276 58.200 -0.655 0.000 1.056 213 S CB 0.908 63.822 63.200 -0.477 0.000 0.853 213 S HN 0.963 nan 8.310 nan 0.000 0.505 214 S N 3.429 118.963 115.700 -0.276 0.000 2.537 214 S HA -0.063 4.408 4.470 0.001 0.000 0.240 214 S C 1.878 176.426 174.600 -0.088 0.000 0.981 214 S CA 0.825 58.961 58.200 -0.107 0.000 0.948 214 S CB -0.268 62.910 63.200 -0.035 0.000 0.759 214 S HN 0.680 nan 8.310 nan 0.000 0.531 215 S N 1.645 117.270 115.700 -0.125 0.000 2.436 215 S HA -0.111 4.360 4.470 0.001 0.000 0.215 215 S C 0.890 175.451 174.600 -0.065 0.000 1.047 215 S CA 0.666 58.814 58.200 -0.087 0.000 1.086 215 S CB -0.489 62.650 63.200 -0.102 0.000 1.072 215 S HN 0.525 nan 8.310 nan 0.000 0.411 216 D N 1.759 122.111 120.400 -0.081 0.000 2.402 216 D HA 0.031 4.671 4.640 0.001 0.000 0.268 216 D C 0.841 177.131 176.300 -0.016 0.000 1.294 216 D CA 0.047 54.018 54.000 -0.049 0.000 0.945 216 D CB 0.822 41.585 40.800 -0.063 0.000 1.112 216 D HN -0.003 nan 8.370 nan 0.000 0.517 217 V N 4.726 124.644 119.914 0.006 0.000 2.488 217 V HA -0.164 3.956 4.120 0.001 0.000 0.246 217 V C 2.471 178.596 176.094 0.052 0.000 1.046 217 V CA 1.488 63.806 62.300 0.031 0.000 1.053 217 V CB -0.551 31.288 31.823 0.026 0.000 0.679 217 V HN 0.671 nan 8.190 nan 0.000 0.458 218 A N 0.331 123.177 122.820 0.042 0.000 1.873 218 A HA -0.238 4.083 4.320 0.001 0.000 0.218 218 A C 2.260 179.896 177.584 0.087 0.000 1.193 218 A CA 2.163 54.232 52.037 0.053 0.000 0.629 218 A CB -0.697 18.328 19.000 0.041 0.000 0.826 218 A HN 0.460 nan 8.150 nan 0.000 0.447 219 L N -0.683 120.604 121.223 0.107 0.000 1.971 219 L HA -0.290 4.051 4.340 0.001 0.000 0.215 219 L C 2.717 179.750 176.870 0.271 0.000 1.072 219 L CA 2.219 57.181 54.840 0.203 0.000 0.758 219 L CB -0.484 41.688 42.059 0.187 0.000 0.889 219 L HN 0.424 nan 8.230 nan 0.000 0.433 220 K N -0.908 119.651 120.400 0.264 0.000 2.089 220 K HA -0.203 4.117 4.320 0.001 0.000 0.210 220 K C 1.951 178.673 176.600 0.203 0.000 1.048 220 K CA 2.057 58.513 56.287 0.281 0.000 0.926 220 K CB -0.407 32.214 32.500 0.202 0.000 0.714 220 K HN 0.406 nan 8.250 nan 0.000 0.448 221 T N 0.858 115.489 114.554 0.129 0.000 2.737 221 T HA -0.135 4.215 4.350 0.001 0.000 0.265 221 T C 2.151 176.883 174.700 0.054 0.000 1.038 221 T CA 1.759 63.906 62.100 0.077 0.000 1.144 221 T CB -0.318 68.579 68.868 0.049 0.000 0.866 221 T HN 0.399 nan 8.240 nan 0.000 0.434 222 S N 1.377 117.116 115.700 0.066 0.000 2.442 222 S HA -0.105 4.365 4.470 0.001 0.000 0.236 222 S C 1.787 176.405 174.600 0.029 0.000 1.007 222 S CA 0.688 58.916 58.200 0.048 0.000 0.965 222 S CB -0.801 62.442 63.200 0.071 0.000 0.773 222 S HN 0.459 nan 8.310 nan 0.000 0.504 223 F N 2.734 122.562 119.950 -0.203 0.000 2.128 223 F HA 0.099 4.627 4.527 0.000 0.000 0.295 223 F C 2.186 177.926 175.800 -0.100 0.000 1.100 223 F CA 0.890 58.652 58.000 -0.397 0.000 1.260 223 F CB -0.689 37.728 39.000 -0.973 0.000 1.009 223 F HN 0.061 nan 8.300 nan 0.000 0.476 224 V N -0.002 119.820 119.914 -0.153 0.000 2.392 224 V HA -0.307 3.813 4.120 0.001 0.000 0.249 224 V C 2.481 178.441 176.094 -0.223 0.000 1.059 224 V CA 2.083 64.264 62.300 -0.200 0.000 1.051 224 V CB -1.122 30.684 31.823 -0.029 0.000 0.658 224 V HN 0.391 nan 8.190 nan 0.000 0.455 225 S N -0.161 115.452 115.700 -0.145 0.000 2.355 225 S HA -0.193 4.278 4.470 0.001 0.000 0.222 225 S C 1.772 176.284 174.600 -0.146 0.000 1.031 225 S CA 1.819 59.934 58.200 -0.142 0.000 0.993 225 S CB -0.531 62.629 63.200 -0.068 0.000 0.859 225 S HN 0.650 nan 8.310 nan 0.000 0.453 226 F N 2.898 122.706 119.950 -0.235 0.000 2.087 226 F HA -0.226 4.301 4.527 0.000 0.000 0.299 226 F C 2.030 177.693 175.800 -0.229 0.000 1.100 226 F CA 1.472 59.342 58.000 -0.217 0.000 1.226 226 F CB -0.497 38.362 39.000 -0.236 0.000 0.983 226 F HN -0.015 nan 8.300 nan 0.000 0.479 227 V N 0.650 120.268 119.914 -0.493 0.000 2.358 227 V HA -0.290 3.830 4.120 0.001 0.000 0.246 227 V C 2.374 178.307 176.094 -0.268 0.000 1.047 227 V CA 2.239 64.260 62.300 -0.465 0.000 1.035 227 V CB -0.851 30.799 31.823 -0.289 0.000 0.658 227 V HN 0.303 nan 8.190 nan 0.000 0.452 228 K N -0.120 120.118 120.400 -0.271 0.000 2.063 228 K HA -0.128 4.193 4.320 0.001 0.000 0.208 228 K C 1.375 177.831 176.600 -0.240 0.000 1.048 228 K CA 1.035 57.117 56.287 -0.342 0.000 0.928 228 K CB -0.132 32.032 32.500 -0.560 0.000 0.713 228 K HN 0.450 nan 8.250 nan 0.000 0.442 232 D N 1.378 121.752 120.400 -0.042 0.000 2.363 232 D HA -0.022 4.618 4.640 0.001 0.000 0.226 232 D C 0.915 177.164 176.300 -0.084 0.000 1.020 232 D CA 0.904 54.869 54.000 -0.058 0.000 0.892 232 D CB 0.630 41.407 40.800 -0.038 0.000 0.900 232 D HN 0.376 nan 8.370 nan 0.000 0.531 233 E N -0.387 119.754 120.200 -0.099 0.000 2.475 233 E HA -0.023 4.327 4.350 0.001 0.000 0.205 233 E C 1.273 177.821 176.600 -0.088 0.000 0.822 233 E CA 0.032 56.376 56.400 -0.093 0.000 1.240 233 E CB 0.491 30.130 29.700 -0.102 0.000 1.222 233 E HN -0.156 nan 8.360 nan 0.000 0.581 234 Q N -0.355 119.382 119.800 -0.104 0.000 2.408 234 Q HA 0.185 4.525 4.340 0.001 0.000 0.205 234 Q C 0.865 176.809 176.000 -0.094 0.000 0.919 234 Q CA 1.024 56.771 55.803 -0.093 0.000 0.932 234 Q CB 1.019 29.693 28.738 -0.106 0.000 1.058 234 Q HN 0.449 nan 8.270 nan 0.000 0.517 235 G N -0.752 107.987 108.800 -0.100 0.000 2.176 235 G HA2 -0.226 3.735 3.960 0.001 0.000 0.253 235 G HA3 -0.226 3.735 3.960 0.001 0.000 0.253 235 G C -0.231 174.603 174.900 -0.110 0.000 0.979 235 G CA 0.309 45.351 45.100 -0.097 0.000 0.641 235 G HN 0.198 nan 8.290 nan 0.000 0.530 236 V N 2.421 122.255 119.914 -0.133 0.000 2.339 236 V HA 0.318 4.438 4.120 0.001 0.000 0.261 236 V C 0.390 176.397 176.094 -0.146 0.000 1.058 236 V CA -0.839 61.362 62.300 -0.164 0.000 0.897 236 V CB 1.261 32.962 31.823 -0.204 0.000 1.052 236 V HN 0.203 nan 8.190 nan 0.000 0.480 237 K N 6.649 126.982 120.400 -0.111 0.000 2.110 237 K HA 0.313 4.633 4.320 0.001 0.000 0.260 237 K C -0.075 176.478 176.600 -0.078 0.000 1.126 237 K CA 0.249 56.493 56.287 -0.072 0.000 1.005 237 K CB 0.080 32.570 32.500 -0.017 0.000 1.336 237 K HN 0.798 nan 8.250 nan 0.000 0.369 238 I N -2.018 118.507 120.570 -0.075 0.000 2.947 238 I HA 0.480 4.650 4.170 0.001 0.000 0.314 238 I C -0.039 176.097 176.117 0.032 0.000 1.028 238 I CA -1.117 60.177 61.300 -0.011 0.000 1.077 238 I CB 1.470 39.491 38.000 0.034 0.000 1.274 238 I HN -0.111 nan 8.210 nan 0.000 0.485 239 K N 1.714 122.174 120.400 0.100 0.000 2.259 239 K HA 0.619 4.939 4.320 0.001 0.000 0.252 239 K C -0.509 176.189 176.600 0.163 0.000 0.936 239 K CA -0.540 55.794 56.287 0.079 0.000 0.810 239 K CB 2.092 34.622 32.500 0.049 0.000 1.143 239 K HN 1.007 nan 8.250 nan 0.000 0.427 240 G N 0.324 109.215 108.800 0.152 0.000 2.448 240 G HA2 0.581 4.541 3.960 0.001 0.000 0.324 240 G HA3 0.581 4.541 3.960 0.001 0.000 0.324 240 G C -1.214 173.893 174.900 0.345 0.000 1.203 240 G CA -0.481 44.813 45.100 0.323 0.000 0.954 240 G HN 0.232 nan 8.290 nan 0.000 0.480 241 V N 1.634 121.813 119.914 0.441 0.000 2.447 241 V HA 0.580 4.701 4.120 0.001 0.000 0.292 241 V C -0.056 176.190 176.094 0.254 0.000 1.021 241 V CA -0.667 61.784 62.300 0.251 0.000 0.850 241 V CB 0.975 32.859 31.823 0.103 0.000 1.005 241 V HN 0.833 nan 8.190 nan 0.000 0.426 242 V N 1.477 121.547 119.914 0.260 0.000 3.001 242 V HA 1.020 5.140 4.120 0.001 0.000 0.314 242 V C 0.177 176.374 176.094 0.172 0.000 1.099 242 V CA -1.129 61.296 62.300 0.209 0.000 0.989 242 V CB 1.950 33.948 31.823 0.292 0.000 1.040 242 V HN 0.954 nan 8.190 nan 0.000 0.434 243 A N 2.417 125.326 122.820 0.149 0.000 2.290 243 A HA 0.716 5.037 4.320 0.001 0.000 0.310 243 A C 0.365 178.027 177.584 0.129 0.000 1.202 243 A CA -0.374 51.748 52.037 0.142 0.000 0.837 243 A CB -0.307 18.785 19.000 0.152 0.000 1.139 243 A HN 1.204 nan 8.150 nan 0.000 0.509 247 A N 1.052 123.936 122.820 0.108 0.000 2.209 247 A HA 0.047 4.368 4.320 0.001 0.000 0.212 247 A C 1.079 178.729 177.584 0.110 0.000 1.158 247 A CA 1.088 53.189 52.037 0.106 0.000 0.742 247 A CB -0.409 18.679 19.000 0.146 0.000 0.790 247 A HN 0.618 nan 8.150 nan 0.000 0.472 248 D N -2.569 117.890 120.400 0.099 0.000 2.692 248 D HA -0.241 4.400 4.640 0.001 0.000 0.233 248 D C -0.705 175.689 176.300 0.156 0.000 1.172 248 D CA 0.968 55.017 54.000 0.081 0.000 0.636 248 D CB -1.529 39.289 40.800 0.030 0.000 1.028 248 D HN 0.525 nan 8.370 nan 0.000 0.419 249 Y N 0.089 120.392 120.300 0.005 0.000 2.421 249 Y HA 0.290 4.840 4.550 0.000 0.000 0.339 249 Y C 0.718 176.624 175.900 0.011 0.000 0.996 249 Y CA -1.182 56.910 58.100 -0.013 0.000 1.046 249 Y CB 1.268 39.707 38.460 -0.035 0.000 1.226 249 Y HN -0.038 nan 8.280 nan 0.000 0.445 250 E N 2.324 122.295 120.200 -0.381 0.000 2.515 250 E HA -0.001 4.349 4.350 0.001 0.000 0.201 250 E C 0.755 177.065 176.600 -0.483 0.000 1.071 250 E CA 1.014 57.221 56.400 -0.322 0.000 0.880 250 E CB -0.175 29.387 29.700 -0.230 0.000 0.828 250 E HN 0.873 nan 8.360 nan 0.000 0.540 251 G N 0.465 108.669 108.800 -0.994 0.000 3.088 251 G HA2 0.275 4.236 3.960 0.001 0.000 0.217 251 G HA3 0.275 4.236 3.960 0.001 0.000 0.217 251 G C 0.196 174.986 174.900 -0.184 0.000 1.159 251 G CA -0.268 44.466 45.100 -0.610 0.000 0.760 251 G HN 0.110 nan 8.290 nan 0.000 0.550 252 I N 1.246 121.771 120.570 -0.076 0.000 2.509 252 I HA 0.404 4.574 4.170 0.001 0.000 0.293 252 I C -0.765 175.403 176.117 0.085 0.000 1.020 252 I CA -1.291 60.058 61.300 0.081 0.000 1.088 252 I CB 2.381 40.486 38.000 0.174 0.000 1.267 252 I HN -0.160 nan 8.210 nan 0.000 0.430 253 I N 4.886 125.515 120.570 0.097 0.000 2.336 253 I HA 0.256 4.426 4.170 0.001 0.000 0.292 253 I C 0.205 176.394 176.117 0.120 0.000 0.991 253 I CA -0.321 61.022 61.300 0.072 0.000 1.227 253 I CB 1.038 38.989 38.000 -0.081 0.000 1.366 253 I HN 0.609 nan 8.210 nan 0.000 0.466 254 N N 6.199 124.998 118.700 0.166 0.000 2.678 254 N HA 0.258 4.999 4.740 0.001 0.000 0.231 254 N C -0.772 174.866 175.510 0.214 0.000 1.038 254 N CA -0.427 52.729 53.050 0.177 0.000 0.932 254 N CB 0.912 39.495 38.487 0.161 0.000 1.176 254 N HN 0.318 nan 8.380 nan 0.000 0.511 255 V N 3.475 123.502 119.914 0.189 0.000 2.585 255 V HA -0.004 4.116 4.120 0.001 0.000 0.296 255 V C 1.504 177.716 176.094 0.196 0.000 1.035 255 V CA 0.114 62.554 62.300 0.234 0.000 1.084 255 V CB 1.094 33.027 31.823 0.185 0.000 0.953 255 V HN 0.721 nan 8.190 nan 0.000 0.483 256 R N 5.115 125.735 120.500 0.199 0.000 2.051 256 R HA 0.098 4.438 4.340 0.001 0.000 0.218 256 R C 0.902 177.263 176.300 0.102 0.000 1.188 256 R CA 0.928 57.106 56.100 0.130 0.000 0.992 256 R CB 0.006 30.368 30.300 0.103 0.000 0.883 256 R HN 0.881 nan 8.270 nan 0.000 0.444 257 N N -0.649 118.108 118.700 0.095 0.000 2.563 257 N HA 0.379 5.119 4.740 0.001 0.000 0.288 257 N C -0.162 175.381 175.510 0.056 0.000 1.246 257 N CA -0.267 52.818 53.050 0.057 0.000 0.946 257 N CB 1.011 39.513 38.487 0.026 0.000 1.213 257 N HN 0.263 nan 8.380 nan 0.000 0.578 258 G N -1.343 107.461 108.800 0.008 0.000 2.971 258 G HA2 0.679 4.639 3.960 0.001 0.000 0.235 258 G HA3 0.679 4.639 3.960 0.001 0.000 0.235 258 G C -0.543 174.297 174.900 -0.100 0.000 1.351 258 G CA -0.294 44.790 45.100 -0.027 0.000 1.039 258 G HN 0.792 nan 8.290 nan 0.000 0.563 259 V N -4.383 115.423 119.914 -0.180 0.000 3.182 259 V HA 0.905 5.025 4.120 0.001 0.000 0.308 259 V C -0.699 175.240 176.094 -0.258 0.000 1.240 259 V CA -0.837 61.294 62.300 -0.282 0.000 1.063 259 V CB 1.471 32.956 31.823 -0.563 0.000 1.076 259 V HN 0.745 nan 8.190 nan 0.000 0.446 260 T N 2.524 116.916 114.554 -0.270 0.000 2.840 260 T HA 0.667 5.018 4.350 0.001 0.000 0.287 260 T C -0.326 174.243 174.700 -0.217 0.000 0.991 260 T CA -0.352 61.622 62.100 -0.209 0.000 0.964 260 T CB 1.086 69.848 68.868 -0.176 0.000 0.954 260 T HN 0.699 nan 8.240 nan 0.000 0.438 261 L N 2.246 123.366 121.223 -0.172 0.000 2.466 261 L HA 0.462 4.802 4.340 0.001 0.000 0.257 261 L C 2.210 179.029 176.870 -0.086 0.000 1.189 261 L CA -0.771 53.992 54.840 -0.128 0.000 0.813 261 L CB 0.436 42.450 42.059 -0.076 0.000 1.118 261 L HN 0.616 nan 8.230 nan 0.000 0.471 262 R N 0.982 121.450 120.500 -0.053 0.000 2.103 262 R HA -0.199 4.141 4.340 0.001 0.000 0.242 262 R C 1.504 177.784 176.300 -0.032 0.000 1.142 262 R CA 2.123 58.203 56.100 -0.035 0.000 0.960 262 R CB -0.238 30.057 30.300 -0.008 0.000 0.858 262 R HN 0.875 nan 8.270 nan 0.000 0.439 263 D N -1.523 118.863 120.400 -0.025 0.000 2.392 263 D HA 0.029 4.669 4.640 0.001 0.000 0.228 263 D C 1.107 177.387 176.300 -0.032 0.000 1.003 263 D CA 0.950 54.937 54.000 -0.021 0.000 0.917 263 D CB -0.119 40.674 40.800 -0.012 0.000 0.890 263 D HN 0.467 nan 8.370 nan 0.000 0.532 264 G N -0.879 107.892 108.800 -0.047 0.000 2.199 264 G HA2 -0.288 3.673 3.960 0.001 0.000 0.254 264 G HA3 -0.288 3.673 3.960 0.001 0.000 0.254 264 G C 0.488 175.354 174.900 -0.058 0.000 0.982 264 G CA 0.296 45.363 45.100 -0.055 0.000 0.632 264 G HN 0.486 nan 8.290 nan 0.000 0.529 265 T N 1.580 116.103 114.554 -0.051 0.000 2.928 265 T HA 0.447 4.797 4.350 0.001 0.000 0.305 265 T C 0.797 175.455 174.700 -0.070 0.000 1.035 265 T CA 0.452 62.523 62.100 -0.049 0.000 1.145 265 T CB 1.054 69.901 68.868 -0.034 0.000 0.963 265 T HN 0.361 nan 8.240 nan 0.000 0.545 266 I N 3.642 124.174 120.570 -0.064 0.000 2.336 266 I HA 0.337 4.507 4.170 0.001 0.000 0.292 266 I C -0.154 175.917 176.117 -0.078 0.000 0.991 266 I CA -0.571 60.682 61.300 -0.077 0.000 1.227 266 I CB 0.947 38.909 38.000 -0.062 0.000 1.366 266 I HN 0.330 nan 8.210 nan 0.000 0.466 267 L N 6.738 127.900 121.223 -0.102 0.000 2.294 267 L HA 0.396 4.736 4.340 0.001 0.000 0.283 267 L C 0.119 176.922 176.870 -0.111 0.000 1.015 267 L CA -0.542 54.234 54.840 -0.106 0.000 0.831 267 L CB 1.176 43.178 42.059 -0.094 0.000 1.217 267 L HN 0.602 nan 8.230 nan 0.000 0.420 268 E N 5.019 125.133 120.200 -0.142 0.000 2.404 268 E HA 0.039 4.389 4.350 0.001 0.000 0.261 268 E C -1.376 175.152 176.600 -0.121 0.000 1.074 268 E CA -1.398 54.940 56.400 -0.103 0.000 0.917 268 E CB 0.733 30.409 29.700 -0.039 0.000 0.965 268 E HN 0.369 nan 8.360 nan 0.000 0.433 269 P HA -0.272 nan 4.420 nan 0.000 0.216 269 P C 0.947 178.270 177.300 0.039 0.000 1.154 269 P CA 1.897 65.024 63.100 0.046 0.000 0.865 269 P CB -0.157 31.597 31.700 0.090 0.000 0.789 270 H N -1.138 117.951 119.070 0.032 0.000 2.543 270 H HA -0.014 4.542 4.556 0.000 0.000 0.286 270 H C 1.855 177.192 175.328 0.015 0.000 1.037 270 H CA 1.071 57.125 56.048 0.009 0.000 1.250 270 H CB -0.874 28.867 29.762 -0.035 0.000 1.373 270 H HN 0.243 nan 8.280 nan 0.000 0.580 271 Q N 0.029 119.580 119.800 -0.414 0.000 2.390 271 Q HA 0.100 4.440 4.340 0.001 0.000 0.216 271 Q C 2.272 178.269 176.000 -0.005 0.000 0.916 271 Q CA 0.645 56.300 55.803 -0.247 0.000 0.911 271 Q CB 0.496 29.047 28.738 -0.313 0.000 1.035 271 Q HN 0.377 nan 8.270 nan 0.000 0.541 272 V N 1.804 121.743 119.914 0.043 0.000 2.568 272 V HA -0.230 3.890 4.120 0.001 0.000 0.253 272 V C 2.407 178.649 176.094 0.246 0.000 1.072 272 V CA 1.732 64.160 62.300 0.213 0.000 1.084 272 V CB -0.695 31.256 31.823 0.213 0.000 0.676 272 V HN 0.357 nan 8.190 nan 0.000 0.469 273 V N -0.566 119.435 119.914 0.144 0.000 2.380 273 V HA -0.277 3.843 4.120 0.001 0.000 0.251 273 V C 2.548 178.709 176.094 0.113 0.000 1.063 273 V CA 2.009 64.379 62.300 0.116 0.000 1.055 273 V CB -1.714 30.162 31.823 0.089 0.000 0.657 273 V HN 0.417 nan 8.190 nan 0.000 0.455 274 A N 0.085 122.978 122.820 0.121 0.000 1.884 274 A HA -0.297 4.023 4.320 0.001 0.000 0.219 274 A C 1.935 179.593 177.584 0.123 0.000 1.197 274 A CA 2.442 54.545 52.037 0.110 0.000 0.637 274 A CB -1.309 17.760 19.000 0.115 0.000 0.827 274 A HN 0.880 nan 8.150 nan 0.000 0.450 275 W N 0.664 121.951 121.300 -0.022 0.000 2.353 275 W HA -0.183 4.478 4.660 0.000 0.000 0.319 275 W C 2.086 178.532 176.519 -0.120 0.000 1.207 275 W CA 2.530 59.793 57.345 -0.136 0.000 1.291 275 W CB -0.623 28.618 29.460 -0.365 0.000 1.159 275 W HN 0.112 nan 8.180 nan 0.000 0.478 276 V N 1.835 121.812 119.914 0.105 0.000 2.370 276 V HA -0.377 3.743 4.120 0.001 0.000 0.252 276 V C 2.480 178.390 176.094 -0.306 0.000 1.068 276 V CA 2.213 64.397 62.300 -0.193 0.000 1.061 276 V CB -2.053 29.686 31.823 -0.140 0.000 0.656 276 V HN 0.408 nan 8.190 nan 0.000 0.455 277 A N 0.792 123.519 122.820 -0.155 0.000 1.851 277 A HA -0.123 4.198 4.320 0.001 0.000 0.216 277 A C 2.481 179.964 177.584 -0.168 0.000 1.195 277 A CA 2.095 54.069 52.037 -0.104 0.000 0.622 277 A CB -1.418 17.578 19.000 -0.008 0.000 0.831 277 A HN 0.542 nan 8.150 nan 0.000 0.444 278 G N -0.834 107.834 108.800 -0.220 0.000 2.462 278 G HA2 0.022 3.983 3.960 0.001 0.000 0.220 278 G HA3 0.022 3.983 3.960 0.001 0.000 0.220 278 G C 1.646 176.322 174.900 -0.373 0.000 1.121 278 G CA 1.490 46.440 45.100 -0.251 0.000 0.758 278 G HN 0.817 nan 8.290 nan 0.000 0.559 279 A N 0.876 123.331 122.820 -0.608 0.000 1.873 279 A HA -0.074 4.247 4.320 0.001 0.000 0.215 279 A C 2.128 179.527 177.584 -0.307 0.000 1.186 279 A CA 1.996 53.653 52.037 -0.633 0.000 0.616 279 A CB -0.495 17.903 19.000 -1.004 0.000 0.823 279 A HN 0.386 nan 8.150 nan 0.000 0.442 280 D N 0.147 120.399 120.400 -0.247 0.000 2.149 280 D HA -0.023 4.617 4.640 0.001 0.000 0.201 280 D C 1.964 178.212 176.300 -0.087 0.000 0.972 280 D CA 1.279 55.200 54.000 -0.131 0.000 0.835 280 D CB -0.105 40.623 40.800 -0.120 0.000 0.966 280 D HN 0.306 nan 8.370 nan 0.000 0.476 281 A N 0.474 123.240 122.820 -0.089 0.000 2.014 281 A HA -0.088 4.232 4.320 0.001 0.000 0.218 281 A C 2.314 179.869 177.584 -0.049 0.000 1.163 281 A CA 1.803 53.815 52.037 -0.042 0.000 0.652 281 A CB -0.348 18.643 19.000 -0.016 0.000 0.808 281 A HN 0.398 nan 8.150 nan 0.000 0.449 282 S N -0.585 115.065 115.700 -0.083 0.000 2.503 282 S HA 0.502 4.972 4.470 0.001 0.000 0.217 282 S C 1.061 175.629 174.600 -0.053 0.000 0.999 282 S CA 0.348 58.508 58.200 -0.066 0.000 0.914 282 S CB -0.584 62.564 63.200 -0.087 0.000 0.782 282 S HN 0.875 nan 8.310 nan 0.000 0.520 283 A N 2.484 125.269 122.820 -0.058 0.000 2.565 283 A HA 0.468 4.789 4.320 0.001 0.000 0.237 283 A C 0.723 178.291 177.584 -0.027 0.000 1.053 283 A CA 0.245 52.261 52.037 -0.035 0.000 0.755 283 A CB -0.136 18.847 19.000 -0.028 0.000 0.980 283 A HN 0.564 nan 8.150 nan 0.000 0.506 287 K N 1.346 121.745 120.400 -0.002 0.000 2.182 287 K HA 0.616 4.936 4.320 0.001 0.000 0.262 287 K C -0.146 176.466 176.600 0.019 0.000 0.957 287 K CA -0.011 56.285 56.287 0.016 0.000 0.842 287 K CB 2.083 34.597 32.500 0.024 0.000 1.099 287 K HN 0.014 nan 8.250 nan 0.000 0.438 288 S N 1.552 117.272 115.700 0.034 0.000 2.671 288 S HA 0.249 4.719 4.470 0.001 0.000 0.272 288 S C 0.366 175.002 174.600 0.061 0.000 1.174 288 S CA -0.224 57.999 58.200 0.038 0.000 1.004 288 S CB 0.400 63.620 63.200 0.034 0.000 1.077 288 S HN 0.700 nan 8.310 nan 0.000 0.553 289 N N -0.782 117.964 118.700 0.076 0.000 2.184 289 N HA 0.155 4.895 4.740 0.001 0.000 0.206 289 N C -0.596 174.980 175.510 0.109 0.000 1.151 289 N CA -0.126 52.994 53.050 0.116 0.000 0.878 289 N CB 0.461 39.044 38.487 0.160 0.000 1.014 289 N HN 0.401 nan 8.380 nan 0.000 0.512 290 T N 0.717 115.282 114.554 0.018 0.000 2.940 290 T HA -0.028 4.323 4.350 0.001 0.000 0.309 290 T C 0.146 174.848 174.700 0.003 0.000 1.056 290 T CA 0.567 62.585 62.100 -0.138 0.000 1.137 290 T CB 0.105 68.834 68.868 -0.232 0.000 0.976 290 T HN 0.180 nan 8.240 nan 0.000 0.547 291 F N 0.215 120.299 119.950 0.224 0.000 3.034 291 F HA -0.175 4.352 4.527 0.000 0.000 0.286 291 F C 0.501 176.423 175.800 0.203 0.000 0.804 291 F CA -0.154 57.981 58.000 0.226 0.000 1.161 291 F CB -2.476 36.544 39.000 0.033 0.000 1.317 291 F HN 0.261 nan 8.300 nan 0.000 0.453 292 V N 1.200 121.346 119.914 0.387 0.000 2.498 292 V HA 0.185 4.306 4.120 0.001 0.000 0.279 292 V C 0.823 177.186 176.094 0.449 0.000 1.048 292 V CA -0.969 61.550 62.300 0.365 0.000 0.967 292 V CB 1.591 33.617 31.823 0.338 0.000 0.988 292 V HN 0.054 nan 8.190 nan 0.000 0.473 293 K N 3.572 124.195 120.400 0.371 0.000 2.218 293 K HA 0.250 4.570 4.320 0.001 0.000 0.276 293 K C -0.811 176.014 176.600 0.375 0.000 1.022 293 K CA -0.542 55.953 56.287 0.346 0.000 0.946 293 K CB 0.866 33.510 32.500 0.241 0.000 1.000 293 K HN 0.599 nan 8.250 nan 0.000 0.468 294 Y N 2.821 123.123 120.300 0.002 0.000 2.650 294 Y HA 0.042 4.592 4.550 0.001 0.000 0.343 294 Y C -0.319 175.488 175.900 -0.156 0.000 1.078 294 Y CA -1.512 56.340 58.100 -0.414 0.000 1.356 294 Y CB -0.477 37.455 38.460 -0.879 0.000 1.204 294 Y HN 0.602 nan 8.280 nan 0.000 0.508 295 D N 3.563 124.124 120.400 0.269 0.000 2.531 295 D HA 0.286 4.926 4.640 0.001 0.000 0.239 295 D C 1.253 177.698 176.300 0.242 0.000 1.144 295 D CA 2.434 56.573 54.000 0.231 0.000 0.869 295 D CB 0.330 41.258 40.800 0.213 0.000 1.160 295 D HN 0.919 nan 8.370 nan 0.000 0.484 296 G N 2.201 111.089 108.800 0.147 0.000 2.213 296 G HA2 -0.122 3.839 3.960 0.001 0.000 0.236 296 G HA3 -0.122 3.839 3.960 0.001 0.000 0.236 296 G C 0.268 175.163 174.900 -0.007 0.000 0.991 296 G CA 0.111 45.267 45.100 0.093 0.000 0.629 296 G HN 0.950 nan 8.290 nan 0.000 0.517 297 A N 0.452 123.228 122.820 -0.074 0.000 2.276 297 A HA 0.769 5.090 4.320 0.001 0.000 0.316 297 A C 1.208 178.730 177.584 -0.103 0.000 1.229 297 A CA -0.079 51.810 52.037 -0.245 0.000 0.851 297 A CB 0.343 18.971 19.000 -0.619 0.000 1.165 297 A HN 1.244 nan 8.150 nan 0.000 0.513 298 I N -1.634 118.865 120.570 -0.118 0.000 3.968 298 I HA 0.409 4.579 4.170 0.001 0.000 0.328 298 I C 0.060 176.048 176.117 -0.215 0.000 1.290 298 I CA 0.251 61.504 61.300 -0.078 0.000 1.163 298 I CB 0.229 38.175 38.000 -0.090 0.000 1.024 298 I HN 0.492 nan 8.210 nan 0.000 0.413 299 D N 1.194 121.440 120.400 -0.256 0.000 2.745 299 D HA 0.517 5.157 4.640 0.001 0.000 0.221 299 D C -1.273 174.884 176.300 -0.240 0.000 1.237 299 D CA -0.254 53.508 54.000 -0.397 0.000 0.781 299 D CB 1.983 42.461 40.800 -0.536 0.000 1.575 299 D HN 0.213 nan 8.370 nan 0.000 0.482 300 A N 2.070 124.801 122.820 -0.149 0.000 2.279 300 A HA 0.605 4.925 4.320 0.001 0.000 0.306 300 A C 0.021 177.544 177.584 -0.101 0.000 1.300 300 A CA -0.109 51.866 52.037 -0.104 0.000 0.925 300 A CB -0.031 18.952 19.000 -0.029 0.000 1.152 300 A HN 0.502 nan 8.150 nan 0.000 0.544 301 T N 2.198 116.686 114.554 -0.109 0.000 2.786 301 T HA 0.703 5.053 4.350 0.001 0.000 0.283 301 T C -2.628 172.042 174.700 -0.051 0.000 0.992 301 T CA -1.851 60.200 62.100 -0.082 0.000 0.954 301 T CB 1.839 70.650 68.868 -0.095 0.000 0.934 301 T HN 0.452 nan 8.240 nan 0.000 0.440 302 P HA 0.417 nan 4.420 nan 0.000 0.278 302 P C -0.485 176.803 177.300 -0.020 0.000 1.266 302 P CA -0.831 62.253 63.100 -0.026 0.000 0.807 302 P CB 1.332 33.026 31.700 -0.011 0.000 1.094 303 R N 0.002 120.495 120.500 -0.011 0.000 2.549 303 R HA 0.625 4.965 4.340 0.001 0.000 0.267 303 R C -0.574 175.732 176.300 0.010 0.000 1.045 303 R CA -0.814 55.291 56.100 0.008 0.000 1.115 303 R CB 0.354 30.673 30.300 0.031 0.000 1.121 303 R HN 0.365 nan 8.270 nan 0.000 0.543 304 L N 1.125 122.355 121.223 0.011 0.000 2.385 304 L HA 0.445 4.785 4.340 0.001 0.000 0.273 304 L C -0.034 176.845 176.870 0.016 0.000 0.990 304 L CA -0.336 54.510 54.840 0.010 0.000 0.821 304 L CB 1.820 43.880 42.059 0.001 0.000 1.279 304 L HN 0.761 nan 8.230 nan 0.000 0.412 305 A N 2.277 125.108 122.820 0.018 0.000 2.366 305 A HA 0.252 4.572 4.320 0.001 0.000 0.250 305 A C 1.041 178.637 177.584 0.020 0.000 1.099 305 A CA 0.020 52.071 52.037 0.022 0.000 0.794 305 A CB 0.031 19.043 19.000 0.021 0.000 1.056 305 A HN 0.886 nan 8.150 nan 0.000 0.499 306 N N 0.516 119.230 118.700 0.024 0.000 2.061 306 N HA -0.224 4.516 4.740 0.001 0.000 0.193 306 N C 1.116 176.639 175.510 0.021 0.000 1.030 306 N CA 2.277 55.341 53.050 0.024 0.000 0.856 306 N CB -0.404 38.099 38.487 0.028 0.000 1.023 306 N HN 0.857 nan 8.380 nan 0.000 0.424 307 D N 0.303 120.715 120.400 0.020 0.000 2.144 307 D HA -0.130 4.510 4.640 0.001 0.000 0.200 307 D C 1.338 177.648 176.300 0.017 0.000 0.978 307 D CA 1.080 55.091 54.000 0.019 0.000 0.833 307 D CB -0.473 40.338 40.800 0.018 0.000 0.961 307 D HN 0.391 nan 8.370 nan 0.000 0.470 308 E N 0.610 120.820 120.200 0.016 0.000 2.072 308 E HA -0.112 4.239 4.350 0.001 0.000 0.191 308 E C 2.268 178.875 176.600 0.012 0.000 0.985 308 E CA 1.031 57.440 56.400 0.015 0.000 0.801 308 E CB -0.199 29.510 29.700 0.014 0.000 0.750 308 E HN 0.404 nan 8.360 nan 0.000 0.452 309 A N 1.711 124.536 122.820 0.008 0.000 1.845 309 A HA -0.265 4.056 4.320 0.001 0.000 0.215 309 A C 2.102 179.688 177.584 0.003 0.000 1.195 309 A CA 1.703 53.739 52.037 -0.002 0.000 0.616 309 A CB -0.613 18.381 19.000 -0.010 0.000 0.832 309 A HN 0.258 nan 8.150 nan 0.000 0.443 310 E N -0.390 119.817 120.200 0.011 0.000 2.130 310 E HA -0.309 4.041 4.350 0.001 0.000 0.196 310 E C 1.951 178.563 176.600 0.020 0.000 0.998 310 E CA 1.728 58.138 56.400 0.017 0.000 0.806 310 E CB -0.111 29.603 29.700 0.022 0.000 0.738 310 E HN 0.689 nan 8.360 nan 0.000 0.459 311 E N 0.492 120.704 120.200 0.019 0.000 2.031 311 E HA -0.196 4.155 4.350 0.001 0.000 0.193 311 E C 1.836 178.450 176.600 0.024 0.000 0.994 311 E CA 1.742 58.155 56.400 0.021 0.000 0.800 311 E CB -0.483 29.228 29.700 0.020 0.000 0.752 311 E HN 0.307 nan 8.360 nan 0.000 0.447 312 A N 0.990 123.823 122.820 0.021 0.000 1.873 312 A HA -0.207 4.113 4.320 0.001 0.000 0.218 312 A C 2.424 180.026 177.584 0.031 0.000 1.193 312 A CA 1.947 54.000 52.037 0.027 0.000 0.629 312 A CB -1.105 17.907 19.000 0.020 0.000 0.826 312 A HN 0.387 nan 8.150 nan 0.000 0.447 313 L N -1.183 120.052 121.223 0.019 0.000 2.043 313 L HA -0.281 4.059 4.340 0.001 0.000 0.212 313 L C 2.871 179.769 176.870 0.047 0.000 1.075 313 L CA 1.910 56.764 54.840 0.024 0.000 0.752 313 L CB -0.602 41.461 42.059 0.007 0.000 0.891 313 L HN 0.555 nan 8.230 nan 0.000 0.432 314 Q N 0.871 120.697 119.800 0.042 0.000 2.234 314 Q HA -0.193 4.148 4.340 0.001 0.000 0.206 314 Q C 1.232 177.257 176.000 0.042 0.000 0.980 314 Q CA 1.680 57.512 55.803 0.048 0.000 0.869 314 Q CB -0.123 28.637 28.738 0.037 0.000 0.912 314 Q HN 0.582 nan 8.270 nan 0.000 0.436 315 N N -0.973 117.751 118.700 0.040 0.000 2.276 315 N HA 0.207 4.947 4.740 0.001 0.000 0.212 315 N C -0.177 175.365 175.510 0.053 0.000 1.127 315 N CA 0.201 53.272 53.050 0.035 0.000 0.834 315 N CB 0.705 39.212 38.487 0.033 0.000 1.014 315 N HN 0.317 nan 8.380 nan 0.000 0.491 316 G N 1.664 110.507 108.800 0.072 0.000 2.298 316 G HA2 -0.278 3.682 3.960 0.001 0.000 0.287 316 G HA3 -0.278 3.682 3.960 0.001 0.000 0.287 316 G C -0.498 174.472 174.900 0.117 0.000 1.075 316 G CA -0.006 45.154 45.100 0.101 0.000 0.960 316 G HN 0.421 nan 8.290 nan 0.000 0.502 317 E N -1.050 119.213 120.200 0.105 0.000 2.179 317 E HA 0.484 4.834 4.350 0.001 0.000 0.275 317 E C -0.587 176.104 176.600 0.151 0.000 0.945 317 E CA -1.036 55.443 56.400 0.132 0.000 0.792 317 E CB 1.325 31.082 29.700 0.096 0.000 1.125 317 E HN 0.193 nan 8.360 nan 0.000 0.397 318 F N 4.701 124.693 119.950 0.070 0.000 2.439 318 F HA 0.145 4.672 4.527 0.001 0.000 0.356 318 F C -0.220 175.621 175.800 0.069 0.000 1.161 318 F CA -0.587 57.458 58.000 0.075 0.000 1.151 318 F CB 0.234 39.295 39.000 0.102 0.000 1.222 318 F HN 0.138 nan 8.300 nan 0.000 0.558 319 V N 4.862 124.688 119.914 -0.146 0.000 2.630 319 V HA 0.614 4.735 4.120 0.001 0.000 0.305 319 V C -0.626 175.363 176.094 -0.175 0.000 1.046 319 V CA -1.081 61.168 62.300 -0.086 0.000 0.934 319 V CB 1.789 33.566 31.823 -0.077 0.000 1.003 319 V HN 0.557 nan 8.190 nan 0.000 0.451 320 L N 4.006 125.180 121.223 -0.082 0.000 2.322 320 L HA 0.742 5.083 4.340 0.001 0.000 0.281 320 L C 0.316 177.076 176.870 -0.185 0.000 1.014 320 L CA -0.252 54.511 54.840 -0.128 0.000 0.815 320 L CB 2.139 44.187 42.059 -0.017 0.000 1.247 320 L HN 1.012 nan 8.230 nan 0.000 0.421 321 T N -0.775 113.555 114.554 -0.374 0.000 2.887 321 T HA 0.515 4.865 4.350 0.001 0.000 0.288 321 T C -0.721 173.879 174.700 -0.166 0.000 1.021 321 T CA -0.593 61.332 62.100 -0.292 0.000 1.000 321 T CB 1.819 70.474 68.868 -0.355 0.000 1.034 321 T HN 0.239 nan 8.240 nan 0.000 0.467 322 F N 2.465 122.367 119.950 -0.081 0.000 2.411 322 F HA 0.505 5.033 4.527 0.000 0.000 0.355 322 F C -0.249 175.633 175.800 0.137 0.000 1.117 322 F CA -1.327 56.692 58.000 0.033 0.000 1.139 322 F CB 0.867 39.865 39.000 -0.003 0.000 1.120 322 F HN 0.695 nan 8.300 nan 0.000 0.493 323 D N 5.180 125.292 120.400 -0.480 0.000 2.428 323 D HA 0.380 5.020 4.640 0.001 0.000 0.221 323 D C 0.825 176.528 176.300 -0.994 0.000 1.123 323 D CA 0.071 53.796 54.000 -0.458 0.000 0.869 323 D CB 1.388 42.124 40.800 -0.106 0.000 1.032 323 D HN 0.681 nan 8.370 nan 0.000 0.506 324 A N 4.281 126.506 122.820 -0.991 0.000 2.070 324 A HA -0.170 4.150 4.320 0.001 0.000 0.220 324 A C 2.124 179.562 177.584 -0.244 0.000 1.159 324 A CA 1.115 52.787 52.037 -0.608 0.000 0.656 324 A CB -0.213 18.715 19.000 -0.120 0.000 0.800 324 A HN 0.546 nan 8.150 nan 0.000 0.453 325 R N -0.219 120.153 120.500 -0.213 0.000 2.075 325 R HA -0.130 4.210 4.340 0.001 0.000 0.230 325 R C 1.549 177.790 176.300 -0.099 0.000 1.140 325 R CA 2.002 58.031 56.100 -0.118 0.000 0.928 325 R CB -0.400 29.833 30.300 -0.111 0.000 0.834 325 R HN 0.479 nan 8.270 nan 0.000 0.429 326 D N -0.422 119.902 120.400 -0.125 0.000 2.339 326 D HA 0.054 4.694 4.640 0.001 0.000 0.217 326 D C -0.562 175.715 176.300 -0.038 0.000 1.050 326 D CA 0.179 54.133 54.000 -0.077 0.000 0.856 326 D CB 0.264 41.010 40.800 -0.091 0.000 0.922 326 D HN 0.058 nan 8.370 nan 0.000 0.518 327 K N -0.548 119.804 120.400 -0.080 0.000 3.653 327 K HA -0.154 4.167 4.320 0.001 0.000 0.275 327 K C -1.085 175.633 176.600 0.197 0.000 0.962 327 K CA 0.464 56.810 56.287 0.098 0.000 0.773 327 K CB -1.299 31.306 32.500 0.174 0.000 1.463 327 K HN 0.249 nan 8.250 nan 0.000 0.450 328 A N -0.057 122.849 122.820 0.143 0.000 2.604 328 A HA 0.642 4.962 4.320 0.001 0.000 0.295 328 A C -1.187 176.571 177.584 0.290 0.000 1.067 328 A CA -0.509 51.656 52.037 0.213 0.000 0.683 328 A CB 2.070 21.148 19.000 0.130 0.000 1.281 328 A HN 0.208 nan 8.150 nan 0.000 0.407 329 V N 2.486 122.572 119.914 0.286 0.000 2.532 329 V HA 0.884 5.005 4.120 0.001 0.000 0.295 329 V C -1.013 175.265 176.094 0.307 0.000 1.041 329 V CA -0.284 62.176 62.300 0.266 0.000 0.926 329 V CB 1.318 33.199 31.823 0.097 0.000 0.992 329 V HN 1.471 nan 8.190 nan 0.000 0.457 330 Y N 3.072 123.438 120.300 0.110 0.000 2.644 330 Y HA 0.777 5.327 4.550 0.000 0.000 0.338 330 Y C -0.804 175.160 175.900 0.107 0.000 1.119 330 Y CA -1.638 56.550 58.100 0.147 0.000 1.060 330 Y CB 1.135 39.705 38.460 0.183 0.000 1.294 330 Y HN 0.350 nan 8.280 nan 0.000 0.472 331 V N 3.021 123.046 119.914 0.186 0.000 2.470 331 V HA 0.051 4.171 4.120 0.001 0.000 0.276 331 V C 1.074 177.021 176.094 -0.245 0.000 1.040 331 V CA -0.015 62.241 62.300 -0.074 0.000 1.008 331 V CB 1.012 32.855 31.823 0.033 0.000 0.990 331 V HN 0.912 nan 8.190 nan 0.000 0.477 332 E N 2.910 122.866 120.200 -0.405 0.000 2.106 332 E HA -0.055 4.295 4.350 0.001 0.000 0.192 332 E C 0.624 177.013 176.600 -0.352 0.000 0.984 332 E CA 1.010 57.202 56.400 -0.346 0.000 0.806 332 E CB 0.294 29.825 29.700 -0.280 0.000 0.750 332 E HN 0.727 nan 8.360 nan 0.000 0.458 333 Q N 0.097 119.667 119.800 -0.383 0.000 2.507 333 Q HA 0.030 4.370 4.340 0.001 0.000 0.248 333 Q C -1.859 173.980 176.000 -0.268 0.000 0.941 333 Q CA -0.288 55.343 55.803 -0.286 0.000 1.003 333 Q CB 1.398 30.030 28.738 -0.177 0.000 1.517 333 Q HN -0.119 nan 8.270 nan 0.000 0.443 334 D N 3.967 124.300 120.400 -0.113 0.000 2.489 334 D HA 0.249 4.890 4.640 0.001 0.000 0.237 334 D C -0.722 175.665 176.300 0.146 0.000 1.212 334 D CA 0.580 54.644 54.000 0.106 0.000 1.058 334 D CB -0.266 40.614 40.800 0.132 0.000 1.098 334 D HN 0.305 nan 8.370 nan 0.000 0.509 335 L N 2.189 123.532 121.223 0.201 0.000 2.286 335 L HA 0.547 4.888 4.340 0.001 0.000 0.265 335 L C 0.727 177.743 176.870 0.244 0.000 1.012 335 L CA -1.206 53.744 54.840 0.183 0.000 0.818 335 L CB 1.618 43.753 42.059 0.128 0.000 1.337 335 L HN 0.220 nan 8.230 nan 0.000 0.438 336 N N -1.858 116.947 118.700 0.174 0.000 2.545 336 N HA 0.207 4.947 4.740 0.001 0.000 0.289 336 N C 0.370 175.963 175.510 0.139 0.000 1.279 336 N CA -0.398 52.739 53.050 0.145 0.000 0.824 336 N CB 1.663 40.197 38.487 0.079 0.000 1.395 336 N HN 0.616 nan 8.380 nan 0.000 0.526 337 S N -0.527 115.245 115.700 0.121 0.000 2.465 337 S HA -0.143 4.328 4.470 0.001 0.000 0.241 337 S C 0.966 175.625 174.600 0.099 0.000 1.000 337 S CA 0.133 58.403 58.200 0.116 0.000 0.964 337 S CB -0.519 62.757 63.200 0.126 0.000 0.763 337 S HN 0.542 nan 8.310 nan 0.000 0.512 338 L N 3.400 124.687 121.223 0.107 0.000 2.584 338 L HA 0.235 4.575 4.340 0.001 0.000 0.272 338 L C 1.138 178.048 176.870 0.067 0.000 1.195 338 L CA 1.176 56.082 54.840 0.110 0.000 0.920 338 L CB 0.544 42.707 42.059 0.173 0.000 1.173 338 L HN 0.444 nan 8.230 nan 0.000 0.489 339 T N -1.258 113.219 114.554 -0.129 0.000 3.115 339 T HA 0.129 4.479 4.350 0.001 0.000 0.256 339 T C 0.643 174.853 174.700 -0.816 0.000 0.970 339 T CA 0.433 62.314 62.100 -0.366 0.000 1.010 339 T CB -0.414 68.351 68.868 -0.172 0.000 1.151 339 T HN 0.637 nan 8.240 nan 0.000 0.479 340 T N 1.966 116.237 114.554 -0.471 0.000 2.761 340 T HA 0.609 4.959 4.350 0.001 0.000 0.296 340 T C -0.686 173.811 174.700 -0.339 0.000 0.934 340 T CA -0.673 61.182 62.100 -0.408 0.000 1.091 340 T CB -0.274 68.501 68.868 -0.154 0.000 0.896 340 T HN 0.162 nan 8.240 nan 0.000 0.515 341 F N 1.536 121.517 119.950 0.053 0.000 2.518 341 F HA 0.811 5.339 4.527 0.000 0.000 0.338 341 F C 1.149 176.985 175.800 0.060 0.000 1.065 341 F CA -1.174 56.866 58.000 0.066 0.000 1.012 341 F CB 1.642 40.697 39.000 0.092 0.000 1.297 341 F HN 0.899 nan 8.300 nan 0.000 0.489 342 S N -0.033 115.847 115.700 0.301 0.000 4.140 342 S HA 0.393 4.863 4.470 0.001 0.000 0.286 342 S C 0.345 175.046 174.600 0.168 0.000 1.074 342 S CA -0.237 58.071 58.200 0.180 0.000 1.289 342 S CB 1.404 64.680 63.200 0.127 0.000 1.584 342 S HN 0.615 nan 8.310 nan 0.000 0.675 343 K N 0.753 121.232 120.400 0.133 0.000 2.240 343 K HA 0.366 4.687 4.320 0.001 0.000 0.202 343 K C 1.548 178.246 176.600 0.164 0.000 1.053 343 K CA 0.640 57.001 56.287 0.123 0.000 0.973 343 K CB -0.502 32.046 32.500 0.080 0.000 0.924 343 K HN 0.421 nan 8.250 nan 0.000 0.477 344 E N 1.715 122.010 120.200 0.158 0.000 2.072 344 E HA -0.084 4.267 4.350 0.001 0.000 0.191 344 E C 0.430 177.212 176.600 0.303 0.000 0.985 344 E CA 1.086 57.610 56.400 0.207 0.000 0.801 344 E CB 0.050 29.833 29.700 0.139 0.000 0.750 344 E HN 0.148 nan 8.360 nan 0.000 0.452 345 K N 1.746 122.276 120.400 0.218 0.000 2.356 345 K HA 0.180 4.500 4.320 0.001 0.000 0.243 345 K C -0.240 176.558 176.600 0.329 0.000 1.072 345 K CA -0.298 56.100 56.287 0.184 0.000 1.014 345 K CB 0.563 33.044 32.500 -0.031 0.000 1.523 345 K HN 0.141 nan 8.250 nan 0.000 0.455 346 S N 1.186 117.178 115.700 0.486 0.000 2.618 346 S HA -0.017 4.454 4.470 0.001 0.000 0.254 346 S C 1.331 175.854 174.600 -0.129 0.000 1.284 346 S CA 0.358 58.705 58.200 0.246 0.000 0.975 346 S CB 1.051 64.427 63.200 0.292 0.000 1.022 346 S HN 0.444 nan 8.310 nan 0.000 0.571 347 S N 0.130 115.598 115.700 -0.387 0.000 2.404 347 S HA 0.058 4.528 4.470 0.001 0.000 0.223 347 S C 1.657 175.980 174.600 -0.462 0.000 1.040 347 S CA 0.695 58.311 58.200 -0.974 0.000 0.957 347 S CB -0.772 62.081 63.200 -0.579 0.000 0.826 347 S HN 0.674 nan 8.310 nan 0.000 0.491 348 K N 0.688 120.991 120.400 -0.162 0.000 2.442 348 K HA 0.037 4.357 4.320 0.001 0.000 0.199 348 K C 1.202 177.723 176.600 -0.132 0.000 1.044 348 K CA 0.838 57.063 56.287 -0.102 0.000 0.941 348 K CB -0.490 32.007 32.500 -0.005 0.000 0.759 348 K HN 0.361 nan 8.250 nan 0.000 0.472 349 F N 1.510 121.354 119.950 -0.176 0.000 2.269 349 F HA -0.137 4.391 4.527 0.000 0.000 0.301 349 F C 2.107 177.870 175.800 -0.062 0.000 1.082 349 F CA 1.144 59.059 58.000 -0.142 0.000 1.360 349 F CB -0.124 38.831 39.000 -0.074 0.000 1.041 349 F HN 0.075 nan 8.300 nan 0.000 0.512 350 R N 0.858 121.463 120.500 0.174 0.000 2.115 350 R HA -0.083 4.258 4.340 0.001 0.000 0.230 350 R C 0.417 176.788 176.300 0.118 0.000 1.111 350 R CA 0.763 56.981 56.100 0.197 0.000 0.976 350 R CB -0.714 29.755 30.300 0.282 0.000 0.870 350 R HN 0.094 nan 8.270 nan 0.000 0.445 351 K N 1.621 122.054 120.400 0.055 0.000 2.401 351 K HA 0.069 4.389 4.320 0.001 0.000 0.278 351 K C 0.171 176.782 176.600 0.017 0.000 1.018 351 K CA -0.271 56.032 56.287 0.027 0.000 0.981 351 K CB 0.632 33.124 32.500 -0.013 0.000 0.933 351 K HN 0.087 nan 8.250 nan 0.000 0.477 352 N N 2.172 120.894 118.700 0.036 0.000 2.409 352 N HA -0.113 4.627 4.740 0.001 0.000 0.179 352 N C 1.367 176.867 175.510 -0.017 0.000 1.032 352 N CA 0.839 53.904 53.050 0.025 0.000 0.898 352 N CB 0.134 38.660 38.487 0.065 0.000 0.971 352 N HN 0.509 nan 8.380 nan 0.000 0.441 353 K N 0.813 121.199 120.400 -0.024 0.000 2.097 353 K HA -0.030 4.290 4.320 0.001 0.000 0.205 353 K C 1.611 178.154 176.600 -0.095 0.000 1.050 353 K CA 0.753 57.013 56.287 -0.045 0.000 0.938 353 K CB 0.126 32.608 32.500 -0.031 0.000 0.718 353 K HN -0.042 nan 8.250 nan 0.000 0.442 354 I N 0.905 121.397 120.570 -0.131 0.000 2.193 354 I HA -0.207 3.963 4.170 0.001 0.000 0.240 354 I C 2.532 178.468 176.117 -0.300 0.000 1.084 354 I CA 1.044 62.195 61.300 -0.248 0.000 1.365 354 I CB -1.336 36.465 38.000 -0.331 0.000 1.064 354 I HN 0.254 nan 8.210 nan 0.000 0.410 355 S N 1.082 116.662 115.700 -0.201 0.000 2.359 355 S HA -0.250 4.220 4.470 0.001 0.000 0.222 355 S C 2.200 176.732 174.600 -0.114 0.000 1.038 355 S CA 1.739 59.868 58.200 -0.118 0.000 1.051 355 S CB -0.169 63.030 63.200 -0.001 0.000 0.944 355 S HN 0.370 nan 8.310 nan 0.000 0.433 356 R N 0.406 120.853 120.500 -0.087 0.000 2.103 356 R HA -0.079 4.262 4.340 0.001 0.000 0.242 356 R C 2.334 178.572 176.300 -0.104 0.000 1.142 356 R CA 1.888 57.943 56.100 -0.075 0.000 0.960 356 R CB -0.638 29.628 30.300 -0.057 0.000 0.858 356 R HN 0.481 nan 8.270 nan 0.000 0.439 357 I N 0.771 121.256 120.570 -0.143 0.000 2.286 357 I HA -0.271 3.899 4.170 0.001 0.000 0.248 357 I C 2.287 178.275 176.117 -0.215 0.000 1.115 357 I CA 1.258 62.460 61.300 -0.162 0.000 1.392 357 I CB -0.220 37.673 38.000 -0.177 0.000 1.065 357 I HN 0.147 nan 8.210 nan 0.000 0.418 358 L N 0.012 121.051 121.223 -0.307 0.000 2.007 358 L HA -0.186 4.155 4.340 0.001 0.000 0.205 358 L C 2.307 179.040 176.870 -0.227 0.000 1.073 358 L CA 1.264 55.831 54.840 -0.455 0.000 0.744 358 L CB -0.711 40.961 42.059 -0.645 0.000 0.898 358 L HN 0.200 nan 8.230 nan 0.000 0.435 359 D N 0.345 120.700 120.400 -0.075 0.000 2.127 359 D HA -0.195 4.445 4.640 0.001 0.000 0.190 359 D C 1.955 178.250 176.300 -0.007 0.000 1.000 359 D CA 1.718 55.735 54.000 0.029 0.000 0.839 359 D CB -0.643 40.158 40.800 0.003 0.000 0.955 359 D HN 0.377 nan 8.370 nan 0.000 0.446 360 G N 1.328 110.102 108.800 -0.043 0.000 2.681 360 G HA2 -0.323 3.637 3.960 0.001 0.000 0.220 360 G HA3 -0.323 3.637 3.960 0.001 0.000 0.220 360 G C 1.840 176.739 174.900 -0.002 0.000 1.210 360 G CA 1.270 46.352 45.100 -0.031 0.000 0.783 360 G HN 0.322 nan 8.290 nan 0.000 0.609 361 I N 0.767 121.344 120.570 0.011 0.000 2.087 361 I HA -0.292 3.879 4.170 0.001 0.000 0.240 361 I C 2.701 178.829 176.117 0.017 0.000 1.054 361 I CA 1.607 62.950 61.300 0.071 0.000 1.311 361 I CB -0.403 37.608 38.000 0.019 0.000 1.024 361 I HN 0.200 nan 8.210 nan 0.000 0.402 362 N N 1.061 119.812 118.700 0.086 0.000 2.192 362 N HA -0.218 4.522 4.740 0.001 0.000 0.188 362 N C 1.470 176.976 175.510 -0.007 0.000 1.013 362 N CA 1.521 54.656 53.050 0.140 0.000 0.863 362 N CB -0.318 38.380 38.487 0.352 0.000 0.990 362 N HN 0.378 nan 8.380 nan 0.000 0.430 363 N N 0.432 119.102 118.700 -0.049 0.000 2.376 363 N HA -0.052 4.688 4.740 0.001 0.000 0.177 363 N C 0.467 175.860 175.510 -0.195 0.000 1.024 363 N CA 0.634 53.610 53.050 -0.124 0.000 0.893 363 N CB -0.011 38.398 38.487 -0.129 0.000 0.980 363 N HN 0.272 nan 8.380 nan 0.000 0.439 364 D N -0.783 119.485 120.400 -0.220 0.000 2.271 364 D HA 0.023 4.663 4.640 0.001 0.000 0.206 364 D C 1.615 177.605 176.300 -0.516 0.000 0.967 364 D CA 0.796 54.555 54.000 -0.401 0.000 0.867 364 D CB -0.112 40.404 40.800 -0.472 0.000 0.960 364 D HN 0.079 nan 8.370 nan 0.000 0.509 365 T N 0.035 114.381 114.554 -0.346 0.000 2.821 365 T HA -0.110 4.241 4.350 0.001 0.000 0.267 365 T C 1.889 176.473 174.700 -0.192 0.000 1.046 365 T CA 0.925 62.873 62.100 -0.253 0.000 1.139 365 T CB 0.138 68.947 68.868 -0.098 0.000 0.871 365 T HN 0.091 nan 8.240 nan 0.000 0.454 366 R N 0.653 121.052 120.500 -0.169 0.000 2.075 366 R HA 0.126 4.466 4.340 0.001 0.000 0.226 366 R C 2.559 178.754 176.300 -0.176 0.000 1.114 366 R CA 0.896 56.915 56.100 -0.135 0.000 0.972 366 R CB -0.056 30.175 30.300 -0.115 0.000 0.869 366 R HN 0.186 nan 8.270 nan 0.000 0.437 367 R N 0.308 120.662 120.500 -0.243 0.000 2.073 367 R HA -0.026 4.314 4.340 0.001 0.000 0.229 367 R C 1.721 177.835 176.300 -0.311 0.000 1.120 367 R CA 1.951 57.893 56.100 -0.265 0.000 0.967 367 R CB -0.237 29.882 30.300 -0.301 0.000 0.862 367 R HN 0.387 nan 8.270 nan 0.000 0.436 368 N N 0.192 118.605 118.700 -0.478 0.000 2.104 368 N HA -0.169 4.572 4.740 0.001 0.000 0.190 368 N C 1.612 176.840 175.510 -0.469 0.000 1.024 368 N CA 1.189 53.775 53.050 -0.774 0.000 0.853 368 N CB -0.015 37.549 38.487 -1.538 0.000 1.008 368 N HN 0.167 nan 8.380 nan 0.000 0.424 369 I N 1.528 121.971 120.570 -0.212 0.000 2.133 369 I HA -0.209 3.962 4.170 0.001 0.000 0.238 369 I C 2.297 178.421 176.117 0.012 0.000 1.074 369 I CA 1.141 62.450 61.300 0.015 0.000 1.342 369 I CB -1.321 36.694 38.000 0.025 0.000 1.053 369 I HN 0.194 nan 8.210 nan 0.000 0.404 370 L N 0.510 121.716 121.223 -0.029 0.000 2.051 370 L HA -0.294 4.046 4.340 0.001 0.000 0.214 370 L C 2.314 179.184 176.870 0.000 0.000 1.076 370 L CA 1.583 56.420 54.840 -0.006 0.000 0.758 370 L CB -0.779 41.259 42.059 -0.035 0.000 0.890 370 L HN 0.264 nan 8.230 nan 0.000 0.433 371 D N 0.055 120.431 120.400 -0.039 0.000 2.104 371 D HA -0.181 4.459 4.640 0.001 0.000 0.194 371 D C 2.226 178.549 176.300 0.039 0.000 0.994 371 D CA 1.623 55.611 54.000 -0.020 0.000 0.830 371 D CB -0.166 40.590 40.800 -0.073 0.000 0.959 371 D HN 0.345 nan 8.370 nan 0.000 0.452 372 A N 1.046 123.917 122.820 0.085 0.000 1.908 372 A HA -0.167 4.153 4.320 0.001 0.000 0.218 372 A C 2.208 179.870 177.584 0.130 0.000 1.181 372 A CA 0.943 53.086 52.037 0.176 0.000 0.627 372 A CB -0.511 18.685 19.000 0.326 0.000 0.818 372 A HN 0.119 nan 8.150 nan 0.000 0.445 373 I N 0.800 121.434 120.570 0.106 0.000 2.076 373 I HA -0.263 3.907 4.170 0.001 0.000 0.237 373 I C 2.356 178.511 176.117 0.063 0.000 1.059 373 I CA 2.238 63.594 61.300 0.093 0.000 1.317 373 I CB -1.297 36.765 38.000 0.103 0.000 1.037 373 I HN 0.592 nan 8.210 nan 0.000 0.398 374 K N 0.792 121.223 120.400 0.051 0.000 2.589 374 K HA -0.110 4.210 4.320 0.001 0.000 0.192 374 K C 1.591 178.212 176.600 0.034 0.000 1.029 374 K CA 0.899 57.209 56.287 0.037 0.000 1.031 374 K CB 0.105 32.623 32.500 0.031 0.000 0.821 374 K HN 0.353 nan 8.250 nan 0.000 0.502 375 E N 1.189 121.414 120.200 0.042 0.000 2.290 375 E HA 0.005 4.356 4.350 0.001 0.000 0.199 375 E C 1.579 178.197 176.600 0.030 0.000 0.912 375 E CA 0.155 56.579 56.400 0.040 0.000 0.924 375 E CB 0.289 30.022 29.700 0.055 0.000 0.901 375 E HN 0.159 nan 8.360 nan 0.000 0.487 376 R N 1.626 122.142 120.500 0.028 0.000 2.189 376 R HA 0.003 4.343 4.340 0.001 0.000 0.218 376 R C 2.176 178.470 176.300 -0.009 0.000 1.074 376 R CA 1.094 57.189 56.100 -0.009 0.000 0.991 376 R CB -0.173 30.098 30.300 -0.048 0.000 0.883 376 R HN 0.019 nan 8.270 nan 0.000 0.457 377 K N -0.069 120.336 120.400 0.009 0.000 2.167 377 K HA -0.081 4.239 4.320 0.001 0.000 0.203 377 K C 0.427 177.030 176.600 0.007 0.000 1.052 377 K CA 1.494 57.786 56.287 0.008 0.000 0.956 377 K CB 0.128 32.639 32.500 0.018 0.000 0.735 377 K HN 0.047 nan 8.250 nan 0.000 0.451 378 D N 0.252 120.658 120.400 0.010 0.000 2.348 378 D HA -0.053 4.587 4.640 0.001 0.000 0.216 378 D C 1.033 177.336 176.300 0.005 0.000 0.970 378 D CA 0.724 54.730 54.000 0.010 0.000 0.889 378 D CB 0.340 41.148 40.800 0.014 0.000 0.912 378 D HN 0.311 nan 8.370 nan 0.000 0.524 379 A N -0.141 122.680 122.820 0.001 0.000 2.348 379 A HA 0.125 4.445 4.320 0.001 0.000 0.224 379 A C 0.746 178.324 177.584 -0.009 0.000 1.227 379 A CA -0.084 51.950 52.037 -0.004 0.000 0.885 379 A CB -0.532 18.464 19.000 -0.007 0.000 0.933 379 A HN 0.254 nan 8.150 nan 0.000 0.506 380 N N -0.906 117.788 118.700 -0.008 0.000 2.780 380 N HA -0.144 4.596 4.740 0.001 0.000 0.248 380 N C -0.438 175.060 175.510 -0.019 0.000 1.102 380 N CA 0.833 53.877 53.050 -0.010 0.000 0.697 380 N CB -0.846 37.637 38.487 -0.008 0.000 1.028 380 N HN 0.338 nan 8.380 nan 0.000 0.554 381 T N -0.496 114.041 114.554 -0.030 0.000 3.487 381 T HA 0.112 4.463 4.350 0.001 0.000 0.287 381 T C -0.676 173.988 174.700 -0.060 0.000 1.004 381 T CA -0.521 61.549 62.100 -0.050 0.000 0.977 381 T CB 0.115 68.940 68.868 -0.072 0.000 1.180 381 T HN 0.186 nan 8.240 nan 0.000 0.490 382 D N 1.992 122.374 120.400 -0.030 0.000 2.836 382 D HA -0.060 4.580 4.640 0.001 0.000 0.220 382 D C 0.258 176.545 176.300 -0.021 0.000 1.094 382 D CA 0.636 54.628 54.000 -0.013 0.000 0.820 382 D CB 0.339 41.143 40.800 0.006 0.000 1.171 382 D HN 0.432 nan 8.370 nan 0.000 0.507 383 I N 4.930 125.498 120.570 -0.002 0.000 2.578 383 I HA 0.056 4.226 4.170 0.001 0.000 0.286 383 I C -1.479 174.714 176.117 0.126 0.000 1.126 383 I CA -1.526 59.783 61.300 0.015 0.000 1.380 383 I CB -0.223 37.815 38.000 0.062 0.000 1.408 383 I HN 0.203 nan 8.210 nan 0.000 0.532 384 P HA 0.007 nan 4.420 nan 0.000 0.269 384 P C -0.266 177.131 177.300 0.163 0.000 1.209 384 P CA -0.369 62.786 63.100 0.091 0.000 0.776 384 P CB 0.969 32.697 31.700 0.047 0.000 0.876 385 A N 1.907 124.751 122.820 0.040 0.000 3.105 385 A HA 0.202 4.522 4.320 0.001 0.000 0.272 385 A C 0.448 178.012 177.584 -0.032 0.000 1.466 385 A CA -0.245 51.737 52.037 -0.090 0.000 1.101 385 A CB -1.093 17.794 19.000 -0.190 0.000 1.065 385 A HN 0.633 nan 8.150 nan 0.000 0.643 386 D N -1.586 118.855 120.400 0.068 0.000 2.726 386 D HA 0.141 4.782 4.640 0.001 0.000 0.241 386 D C 1.019 177.386 176.300 0.113 0.000 1.150 386 D CA 0.109 54.145 54.000 0.061 0.000 1.089 386 D CB -0.273 40.553 40.800 0.044 0.000 1.260 386 D HN 0.221 nan 8.370 nan 0.000 0.637 387 E N -0.115 120.135 120.200 0.084 0.000 2.152 387 E HA -0.141 4.209 4.350 0.001 0.000 0.192 387 E C 1.098 177.759 176.600 0.103 0.000 0.983 387 E CA 0.830 57.285 56.400 0.091 0.000 0.818 387 E CB -0.515 29.220 29.700 0.059 0.000 0.758 387 E HN 0.291 nan 8.360 nan 0.000 0.467 388 N N 1.106 119.860 118.700 0.090 0.000 2.244 388 N HA -0.057 4.684 4.740 0.001 0.000 0.183 388 N C 1.873 177.456 175.510 0.122 0.000 1.016 388 N CA 1.374 54.474 53.050 0.084 0.000 0.866 388 N CB -0.306 38.209 38.487 0.047 0.000 0.980 388 N HN 0.347 nan 8.380 nan 0.000 0.430 389 G N 0.261 109.162 108.800 0.169 0.000 2.404 389 G HA2 -0.171 3.790 3.960 0.001 0.000 0.215 389 G HA3 -0.171 3.790 3.960 0.001 0.000 0.215 389 G C 1.569 176.572 174.900 0.173 0.000 1.174 389 G CA 0.649 45.886 45.100 0.229 0.000 0.780 389 G HN 0.130 nan 8.290 nan 0.000 0.537 390 V N 0.370 120.456 119.914 0.287 0.000 2.233 390 V HA -0.229 3.891 4.120 0.001 0.000 0.247 390 V C 2.947 179.073 176.094 0.053 0.000 1.050 390 V CA 2.059 64.471 62.300 0.186 0.000 1.010 390 V CB -0.509 31.450 31.823 0.227 0.000 0.637 390 V HN 0.259 nan 8.190 nan 0.000 0.444 391 Q N -0.877 118.969 119.800 0.077 0.000 2.077 391 Q HA -0.241 4.099 4.340 0.001 0.000 0.206 391 Q C 2.100 178.106 176.000 0.010 0.000 0.989 391 Q CA 2.181 58.008 55.803 0.039 0.000 0.853 391 Q CB -0.640 28.132 28.738 0.057 0.000 0.907 391 Q HN 0.656 nan 8.270 nan 0.000 0.418 392 F N 0.776 120.667 119.950 -0.098 0.000 2.043 392 F HA -0.243 4.284 4.527 0.000 0.000 0.297 392 F C 2.200 177.866 175.800 -0.224 0.000 1.121 392 F CA 1.590 59.505 58.000 -0.142 0.000 1.199 392 F CB -0.570 38.353 39.000 -0.129 0.000 0.968 392 F HN 0.033 nan 8.300 nan 0.000 0.478 393 I N -0.191 120.221 120.570 -0.263 0.000 2.163 393 I HA -0.311 3.859 4.170 0.001 0.000 0.243 393 I C 2.425 178.312 176.117 -0.383 0.000 1.085 393 I CA 1.421 62.468 61.300 -0.421 0.000 1.347 393 I CB -0.673 37.076 38.000 -0.419 0.000 1.044 393 I HN 0.314 nan 8.210 nan 0.000 0.408 394 L N 0.520 121.608 121.223 -0.226 0.000 1.990 394 L HA -0.161 4.179 4.340 0.001 0.000 0.213 394 L C 1.875 178.626 176.870 -0.197 0.000 1.072 394 L CA 1.570 56.324 54.840 -0.143 0.000 0.755 394 L CB -0.641 41.382 42.059 -0.060 0.000 0.889 394 L HN 0.160 nan 8.230 nan 0.000 0.432 398 T N 1.682 116.227 114.554 -0.016 0.000 2.684 398 T HA -0.126 4.224 4.350 0.001 0.000 0.267 398 T C 1.683 176.421 174.700 0.063 0.000 1.036 398 T CA 2.009 64.160 62.100 0.085 0.000 1.148 398 T CB -0.247 68.665 68.868 0.074 0.000 0.863 398 T HN 0.414 nan 8.240 nan 0.000 0.436 399 A N 0.606 123.422 122.820 -0.007 0.000 1.917 399 A HA -0.165 4.155 4.320 0.001 0.000 0.219 399 A C 2.073 179.695 177.584 0.064 0.000 1.182 399 A CA 1.991 54.036 52.037 0.013 0.000 0.633 399 A CB -1.121 17.860 19.000 -0.031 0.000 0.819 399 A HN 0.631 nan 8.150 nan 0.000 0.448 400 Y N 0.295 120.609 120.300 0.022 0.000 2.070 400 Y HA -0.218 4.332 4.550 0.000 0.000 0.280 400 Y C 2.094 177.940 175.900 -0.089 0.000 1.148 400 Y CA 1.817 59.939 58.100 0.036 0.000 1.125 400 Y CB -0.366 38.187 38.460 0.155 0.000 0.975 400 Y HN 0.174 nan 8.280 nan 0.000 0.492 401 L N 1.018 122.147 121.223 -0.156 0.000 1.990 401 L HA -0.308 4.033 4.340 0.001 0.000 0.213 401 L C 2.132 178.702 176.870 -0.501 0.000 1.072 401 L CA 2.021 56.541 54.840 -0.532 0.000 0.755 401 L CB -1.696 39.833 42.059 -0.884 0.000 0.889 401 L HN 0.430 nan 8.230 nan 0.000 0.432 402 N N -0.389 118.194 118.700 -0.194 0.000 2.149 402 N HA -0.192 4.548 4.740 0.001 0.000 0.188 402 N C 1.752 177.206 175.510 -0.094 0.000 1.019 402 N CA 0.876 53.921 53.050 -0.008 0.000 0.857 402 N CB -0.095 38.452 38.487 0.100 0.000 0.997 402 N HN 0.312 nan 8.380 nan 0.000 0.426 403 E N 1.204 121.315 120.200 -0.148 0.000 2.058 403 E HA -0.095 4.255 4.350 0.001 0.000 0.194 403 E C 2.193 178.667 176.600 -0.210 0.000 0.997 403 E CA 0.517 56.824 56.400 -0.155 0.000 0.801 403 E CB -0.290 29.315 29.700 -0.158 0.000 0.746 403 E HN 0.376 nan 8.360 nan 0.000 0.450 404 L N 0.414 121.429 121.223 -0.346 0.000 2.191 404 L HA -0.204 4.136 4.340 0.001 0.000 0.212 404 L C 2.751 179.503 176.870 -0.197 0.000 1.103 404 L CA 1.104 55.752 54.840 -0.321 0.000 0.769 404 L CB -0.290 41.500 42.059 -0.448 0.000 0.908 404 L HN 0.199 nan 8.230 nan 0.000 0.438 405 Q N 0.032 119.736 119.800 -0.160 0.000 2.083 405 Q HA -0.198 4.142 4.340 0.001 0.000 0.198 405 Q C 1.646 177.617 176.000 -0.048 0.000 0.969 405 Q CA 1.611 57.373 55.803 -0.069 0.000 0.838 405 Q CB 0.206 28.954 28.738 0.017 0.000 0.900 405 Q HN 0.411 nan 8.270 nan 0.000 0.436 406 D N 0.096 120.466 120.400 -0.050 0.000 2.117 406 D HA -0.135 4.506 4.640 0.001 0.000 0.197 406 D C 1.929 178.202 176.300 -0.046 0.000 0.987 406 D CA 1.642 55.620 54.000 -0.037 0.000 0.829 406 D CB -0.287 40.493 40.800 -0.034 0.000 0.961 406 D HN 0.338 nan 8.370 nan 0.000 0.460 407 S N -0.755 114.905 115.700 -0.067 0.000 2.555 407 S HA 0.174 4.644 4.470 0.001 0.000 0.230 407 S C 1.694 176.260 174.600 -0.056 0.000 0.978 407 S CA 0.615 58.778 58.200 -0.063 0.000 0.934 407 S CB -0.107 63.044 63.200 -0.081 0.000 0.766 407 S HN 0.362 nan 8.310 nan 0.000 0.533 408 G N 0.349 109.116 108.800 -0.056 0.000 2.171 408 G HA2 -0.107 3.854 3.960 0.001 0.000 0.238 408 G HA3 -0.107 3.854 3.960 0.001 0.000 0.238 408 G C 0.638 175.505 174.900 -0.055 0.000 1.039 408 G CA 0.068 45.140 45.100 -0.046 0.000 0.759 408 G HN 1.068 nan 8.290 nan 0.000 0.501 409 A N -0.717 122.055 122.820 -0.080 0.000 1.956 409 A HA 0.713 5.033 4.320 0.001 0.000 0.212 409 A C 1.206 178.738 177.584 -0.087 0.000 1.188 409 A CA 1.501 53.484 52.037 -0.091 0.000 0.675 409 A CB 0.050 18.976 19.000 -0.124 0.000 0.845 409 A HN 1.614 nan 8.150 nan 0.000 0.455 410 I N -2.729 117.788 120.570 -0.089 0.000 2.865 410 I HA 0.711 4.881 4.170 0.001 0.000 0.302 410 I C -0.531 175.572 176.117 -0.024 0.000 1.140 410 I CA -0.654 60.607 61.300 -0.065 0.000 1.021 410 I CB 2.426 40.364 38.000 -0.103 0.000 1.233 410 I HN 0.066 nan 8.210 nan 0.000 0.427 411 T N -0.717 113.841 114.554 0.007 0.000 2.907 411 T HA 0.466 4.817 4.350 0.001 0.000 0.290 411 T C 0.067 174.804 174.700 0.061 0.000 1.066 411 T CA -0.769 61.349 62.100 0.030 0.000 1.012 411 T CB 1.362 70.236 68.868 0.010 0.000 1.184 411 T HN 0.799 nan 8.240 nan 0.000 0.522 412 N N -0.170 118.564 118.700 0.056 0.000 2.727 412 N HA -0.165 4.576 4.740 0.001 0.000 0.249 412 N C -1.040 174.527 175.510 0.095 0.000 1.048 412 N CA 0.375 53.453 53.050 0.047 0.000 0.714 412 N CB -1.241 37.258 38.487 0.020 0.000 0.959 412 N HN 0.697 nan 8.380 nan 0.000 0.544 413 F N 1.817 121.752 119.950 -0.026 0.000 2.390 413 F HA 0.340 4.868 4.527 0.001 0.000 0.361 413 F C 0.240 176.029 175.800 -0.018 0.000 1.124 413 F CA -1.537 56.450 58.000 -0.022 0.000 1.149 413 F CB 0.636 39.619 39.000 -0.029 0.000 1.160 413 F HN -0.057 nan 8.300 nan 0.000 0.501 414 D N 3.768 123.800 120.400 -0.614 0.000 2.443 414 D HA 0.208 4.848 4.640 0.001 0.000 0.221 414 D C 0.736 176.551 176.300 -0.809 0.000 1.097 414 D CA -0.074 53.580 54.000 -0.577 0.000 0.865 414 D CB 1.258 41.905 40.800 -0.255 0.000 1.034 414 D HN 0.527 nan 8.370 nan 0.000 0.511 415 S N 1.682 116.850 115.700 -0.886 0.000 2.461 415 S HA -0.192 4.278 4.470 0.001 0.000 0.249 415 S C 1.548 175.993 174.600 -0.258 0.000 1.012 415 S CA 1.370 59.236 58.200 -0.557 0.000 0.982 415 S CB -0.140 62.899 63.200 -0.267 0.000 0.764 415 S HN 0.611 nan 8.310 nan 0.000 0.506 416 T N 1.914 116.330 114.554 -0.229 0.000 2.824 416 T HA 0.228 4.578 4.350 0.001 0.000 0.238 416 T C 1.205 175.862 174.700 -0.071 0.000 1.067 416 T CA 0.853 62.884 62.100 -0.115 0.000 1.286 416 T CB -0.249 68.561 68.868 -0.096 0.000 0.980 416 T HN 0.381 nan 8.240 nan 0.000 0.414 417 A N 1.277 124.057 122.820 -0.066 0.000 3.245 417 A HA 0.480 4.800 4.320 0.001 0.000 0.282 417 A C 0.037 177.629 177.584 0.012 0.000 1.417 417 A CA -0.317 51.713 52.037 -0.012 0.000 1.149 417 A CB -0.240 18.759 19.000 -0.003 0.000 1.155 417 A HN 0.346 nan 8.150 nan 0.000 0.602 418 D N -0.910 119.507 120.400 0.029 0.000 2.368 418 D HA 0.152 4.792 4.640 0.001 0.000 0.305 418 D C -0.710 175.706 176.300 0.193 0.000 1.143 418 D CA 0.255 54.324 54.000 0.116 0.000 0.847 418 D CB 0.709 41.575 40.800 0.109 0.000 1.357 418 D HN 0.450 nan 8.370 nan 0.000 0.526 419 I N 1.389 122.053 120.570 0.157 0.000 2.571 419 I HA 0.445 4.616 4.170 0.001 0.000 0.289 419 I C -1.410 174.764 176.117 0.095 0.000 1.115 419 I CA -0.131 61.264 61.300 0.158 0.000 1.045 419 I CB 1.820 39.973 38.000 0.255 0.000 1.238 419 I HN -0.056 nan 8.210 nan 0.000 0.424 420 T N 4.454 119.055 114.554 0.078 0.000 2.933 420 T HA 0.857 5.207 4.350 0.001 0.000 0.305 420 T C -1.189 173.553 174.700 0.069 0.000 1.092 420 T CA -0.717 61.425 62.100 0.070 0.000 1.008 420 T CB 1.448 70.364 68.868 0.080 0.000 1.102 420 T HN 0.390 nan 8.240 nan 0.000 0.469 421 V N 2.190 122.147 119.914 0.072 0.000 2.735 421 V HA 0.925 5.046 4.120 0.001 0.000 0.310 421 V C 0.085 176.252 176.094 0.123 0.000 1.061 421 V CA -0.621 61.736 62.300 0.096 0.000 0.913 421 V CB 1.604 33.472 31.823 0.075 0.000 1.005 421 V HN 1.398 nan 8.190 nan 0.000 0.428 422 S N 3.599 119.392 115.700 0.154 0.000 2.819 422 S HA 0.769 5.239 4.470 0.001 0.000 0.299 422 S C -1.461 173.215 174.600 0.127 0.000 1.192 422 S CA -0.913 57.366 58.200 0.131 0.000 0.847 422 S CB 1.526 64.777 63.200 0.085 0.000 1.224 422 S HN 0.365 nan 8.310 nan 0.000 0.537 423 L N 2.271 123.519 121.223 0.043 0.000 2.357 423 L HA 0.497 4.837 4.340 0.001 0.000 0.273 423 L C 1.143 177.981 176.870 -0.054 0.000 1.080 423 L CA -0.253 54.553 54.840 -0.056 0.000 0.803 423 L CB 0.617 42.632 42.059 -0.073 0.000 1.174 423 L HN 0.971 nan 8.230 nan 0.000 0.443 424 N N 2.058 120.692 118.700 -0.110 0.000 2.678 424 N HA -0.134 4.606 4.740 0.001 0.000 0.199 424 N C 0.860 176.339 175.510 -0.051 0.000 1.353 424 N CA 0.481 53.487 53.050 -0.073 0.000 0.916 424 N CB -0.170 38.255 38.487 -0.103 0.000 1.057 424 N HN 0.517 nan 8.380 nan 0.000 0.449 425 N N -0.846 117.829 118.700 -0.042 0.000 2.927 425 N HA -0.251 4.490 4.740 0.001 0.000 0.220 425 N C -0.454 175.034 175.510 -0.036 0.000 0.845 425 N CA 1.455 54.487 53.050 -0.029 0.000 1.089 425 N CB -1.095 37.382 38.487 -0.017 0.000 0.994 425 N HN 0.500 nan 8.380 nan 0.000 0.616 426 N N 0.818 119.488 118.700 -0.050 0.000 2.200 426 N HA 0.113 4.853 4.740 0.001 0.000 0.224 426 N C 0.610 176.077 175.510 -0.072 0.000 1.179 426 N CA 0.847 53.867 53.050 -0.051 0.000 0.877 426 N CB 0.828 39.288 38.487 -0.047 0.000 1.072 426 N HN 0.290 nan 8.380 nan 0.000 0.519 427 V N 0.288 120.147 119.914 -0.092 0.000 4.931 427 V HA -0.257 3.864 4.120 0.001 0.000 0.254 427 V C 0.150 176.149 176.094 -0.158 0.000 0.620 427 V CA 1.785 64.008 62.300 -0.129 0.000 0.715 427 V CB -2.113 29.657 31.823 -0.088 0.000 0.589 427 V HN 0.468 nan 8.190 nan 0.000 0.982 428 D N -1.062 119.237 120.400 -0.167 0.000 2.540 428 D HA 0.489 5.130 4.640 0.001 0.000 0.229 428 D C 0.590 176.773 176.300 -0.195 0.000 1.250 428 D CA 0.701 54.610 54.000 -0.152 0.000 0.817 428 D CB 1.153 41.902 40.800 -0.086 0.000 1.060 428 D HN 1.354 nan 8.370 nan 0.000 0.508 429 G N -0.393 108.221 108.800 -0.309 0.000 2.559 429 G HA2 0.487 4.447 3.960 0.001 0.000 0.291 429 G HA3 0.487 4.447 3.960 0.001 0.000 0.291 429 G C -1.943 172.675 174.900 -0.471 0.000 1.424 429 G CA -0.945 43.971 45.100 -0.306 0.000 0.786 429 G HN -0.013 nan 8.290 nan 0.000 0.485 430 F N -0.243 119.719 119.950 0.020 0.000 2.480 430 F HA 0.690 5.217 4.527 0.001 0.000 0.329 430 F C 0.438 176.248 175.800 0.017 0.000 1.091 430 F CA -0.747 57.267 58.000 0.024 0.000 0.972 430 F CB 2.248 41.271 39.000 0.037 0.000 1.150 430 F HN 0.118 nan 8.300 nan 0.000 0.467 431 I N 3.286 123.976 120.570 0.201 0.000 2.406 431 I HA 0.430 4.600 4.170 0.001 0.000 0.290 431 I C -1.108 175.079 176.117 0.116 0.000 0.999 431 I CA -0.884 60.486 61.300 0.117 0.000 1.124 431 I CB 1.758 39.804 38.000 0.077 0.000 1.289 431 I HN 0.200 nan 8.210 nan 0.000 0.441 432 V N 6.209 126.168 119.914 0.077 0.000 2.350 432 V HA 0.324 4.444 4.120 0.001 0.000 0.285 432 V C -0.213 175.886 176.094 0.007 0.000 1.014 432 V CA -0.642 61.689 62.300 0.051 0.000 0.831 432 V CB 1.212 33.060 31.823 0.042 0.000 1.000 432 V HN 0.713 nan 8.190 nan 0.000 0.433 433 N N 5.123 123.821 118.700 -0.003 0.000 2.430 433 N HA 0.702 5.442 4.740 0.001 0.000 0.292 433 N C -0.957 174.492 175.510 -0.101 0.000 1.051 433 N CA -0.750 52.231 53.050 -0.114 0.000 0.917 433 N CB 1.595 40.067 38.487 -0.025 0.000 1.164 433 N HN 0.766 nan 8.380 nan 0.000 0.484 434 Q N 0.105 119.784 119.800 -0.202 0.000 2.353 434 Q HA 0.440 4.780 4.340 0.001 0.000 0.275 434 Q C -1.676 174.295 176.000 -0.049 0.000 1.029 434 Q CA -0.981 54.794 55.803 -0.047 0.000 0.848 434 Q CB 1.685 30.442 28.738 0.033 0.000 1.390 434 Q HN 0.247 nan 8.270 nan 0.000 0.401 435 S N 2.709 118.455 115.700 0.077 0.000 2.520 435 S HA 0.495 4.966 4.470 0.001 0.000 0.324 435 S C -0.317 174.360 174.600 0.129 0.000 1.069 435 S CA -0.564 57.714 58.200 0.129 0.000 1.121 435 S CB 0.259 63.566 63.200 0.177 0.000 0.971 435 S HN 0.410 nan 8.310 nan 0.000 0.463 436 I N 2.255 122.876 120.570 0.086 0.000 2.707 436 I HA 0.516 4.686 4.170 0.001 0.000 0.309 436 I C 0.393 176.560 176.117 0.085 0.000 1.001 436 I CA -0.941 60.389 61.300 0.051 0.000 1.129 436 I CB 1.414 39.379 38.000 -0.057 0.000 1.308 436 I HN 0.564 nan 8.210 nan 0.000 0.466 437 E N 4.955 125.191 120.200 0.059 0.000 2.279 437 E HA 0.422 4.772 4.350 0.001 0.000 0.252 437 E C -2.646 173.977 176.600 0.038 0.000 0.894 437 E CA -1.850 54.590 56.400 0.067 0.000 0.785 437 E CB 2.192 31.902 29.700 0.018 0.000 1.237 437 E HN 0.229 nan 8.360 nan 0.000 0.418 438 P HA -0.068 nan 4.420 nan 0.000 0.268 438 P C 1.168 178.463 177.300 -0.007 0.000 1.204 438 P CA -0.166 62.922 63.100 -0.020 0.000 0.768 438 P CB 0.917 32.577 31.700 -0.066 0.000 0.842 439 V N 1.911 121.809 119.914 -0.026 0.000 2.300 439 V HA -0.318 3.802 4.120 0.001 0.000 0.247 439 V C 0.536 176.626 176.094 -0.008 0.000 1.018 439 V CA 1.958 64.248 62.300 -0.018 0.000 1.089 439 V CB -1.813 29.996 31.823 -0.024 0.000 0.741 439 V HN 0.417 nan 8.190 nan 0.000 0.500 440 D N 2.326 122.721 120.400 -0.008 0.000 2.483 440 D HA 0.531 5.171 4.640 0.001 0.000 0.220 440 D C 0.225 176.527 176.300 0.004 0.000 1.173 440 D CA 1.111 55.110 54.000 -0.002 0.000 0.964 440 D CB 0.063 40.863 40.800 -0.001 0.000 1.046 440 D HN 0.977 nan 8.370 nan 0.000 0.517 441 S N -0.673 115.032 115.700 0.008 0.000 2.288 441 S HA 0.233 4.703 4.470 0.001 0.000 0.214 441 S C 0.293 174.886 174.600 -0.012 0.000 0.720 441 S CA -1.180 57.031 58.200 0.019 0.000 0.934 441 S CB -0.060 63.187 63.200 0.078 0.000 1.349 441 S HN 0.247 nan 8.310 nan 0.000 0.382 442 G N 1.674 110.454 108.800 -0.033 0.000 2.764 442 G HA2 0.398 4.358 3.960 0.001 0.000 0.278 442 G HA3 0.398 4.358 3.960 0.001 0.000 0.278 442 G C -0.022 174.805 174.900 -0.121 0.000 0.686 442 G CA 0.323 45.387 45.100 -0.060 0.000 2.105 442 G HN 0.914 nan 8.290 nan 0.000 0.562 443 E N 0.802 120.885 120.200 -0.195 0.000 2.597 443 E HA 0.139 4.489 4.350 0.001 0.000 0.310 443 E C -0.829 175.408 176.600 -0.605 0.000 0.970 443 E CA -0.717 55.441 56.400 -0.404 0.000 0.819 443 E CB 1.182 30.557 29.700 -0.542 0.000 1.267 443 E HN 0.180 nan 8.360 nan 0.000 0.411 444 K N 3.479 123.616 120.400 -0.437 0.000 2.234 444 K HA 0.360 4.680 4.320 0.001 0.000 0.282 444 K C -0.916 175.442 176.600 -0.404 0.000 1.039 444 K CA -0.286 55.828 56.287 -0.287 0.000 0.928 444 K CB 0.643 33.094 32.500 -0.083 0.000 1.039 444 K HN 0.206 nan 8.250 nan 0.000 0.470 445 F N 1.967 121.916 119.950 -0.002 0.000 2.422 445 F HA 0.232 4.759 4.527 0.001 0.000 0.333 445 F C 0.018 175.930 175.800 0.188 0.000 1.095 445 F CA -0.935 57.102 58.000 0.061 0.000 1.038 445 F CB 0.686 39.629 39.000 -0.095 0.000 1.156 445 F HN 0.401 nan 8.300 nan 0.000 0.483 446 Y N 3.020 123.537 120.300 0.361 0.000 2.326 446 Y HA 0.539 5.089 4.550 0.001 0.000 0.337 446 Y C -1.545 174.682 175.900 0.545 0.000 1.023 446 Y CA -0.864 57.436 58.100 0.332 0.000 1.143 446 Y CB 0.456 39.043 38.460 0.211 0.000 1.183 446 Y HN 0.437 nan 8.280 nan 0.000 0.485 447 F N 3.471 123.244 119.950 -0.295 0.000 2.547 447 F HA 0.430 4.957 4.527 0.000 0.000 0.316 447 F C -0.422 175.171 175.800 -0.344 0.000 1.121 447 F CA -0.896 57.001 58.000 -0.172 0.000 0.911 447 F CB 2.279 41.246 39.000 -0.055 0.000 1.179 447 F HN 0.372 nan 8.300 nan 0.000 0.443 448 T N 2.815 117.237 114.554 -0.220 0.000 2.890 448 T HA 0.606 4.956 4.350 0.001 0.000 0.295 448 T C -0.961 173.677 174.700 -0.103 0.000 0.993 448 T CA -0.215 61.802 62.100 -0.138 0.000 0.979 448 T CB 0.598 69.454 68.868 -0.020 0.000 0.967 448 T HN 0.553 nan 8.240 nan 0.000 0.441 449 T N 4.675 119.199 114.554 -0.050 0.000 2.829 449 T HA 0.502 4.853 4.350 0.001 0.000 0.280 449 T C -0.756 173.943 174.700 -0.001 0.000 0.999 449 T CA -0.679 61.398 62.100 -0.039 0.000 0.983 449 T CB 1.648 70.502 68.868 -0.023 0.000 0.968 449 T HN 0.720 nan 8.240 nan 0.000 0.446 450 E N 2.314 122.512 120.200 -0.003 0.000 2.183 450 E HA 0.622 4.972 4.350 0.001 0.000 0.271 450 E C -1.428 175.190 176.600 0.029 0.000 0.919 450 E CA -0.699 55.716 56.400 0.025 0.000 0.781 450 E CB 1.213 30.920 29.700 0.011 0.000 1.140 450 E HN 0.310 nan 8.360 nan 0.000 0.402 451 V N 4.203 124.161 119.914 0.074 0.000 2.735 451 V HA 0.365 4.486 4.120 0.001 0.000 0.310 451 V C -0.303 175.843 176.094 0.087 0.000 1.061 451 V CA -1.063 61.284 62.300 0.078 0.000 0.913 451 V CB 1.937 33.824 31.823 0.107 0.000 1.005 451 V HN 0.616 nan 8.190 nan 0.000 0.428 452 K N 2.195 122.627 120.400 0.052 0.000 2.144 452 K HA 0.395 4.715 4.320 0.001 0.000 0.270 452 K C 0.461 177.097 176.600 0.061 0.000 1.005 452 K CA -0.569 55.736 56.287 0.031 0.000 0.932 452 K CB 1.678 34.184 32.500 0.010 0.000 1.021 452 K HN 0.426 nan 8.250 nan 0.000 0.462 453 L N 1.363 122.606 121.223 0.034 0.000 2.418 453 L HA -0.041 4.299 4.340 0.001 0.000 0.218 453 L C 0.672 177.571 176.870 0.049 0.000 1.125 453 L CA 1.337 56.216 54.840 0.065 0.000 0.835 453 L CB -0.198 41.870 42.059 0.016 0.000 0.953 453 L HN 0.797 nan 8.230 nan 0.000 0.454 454 E N 0.000 120.216 120.200 0.026 0.000 2.725 454 E HA 0.000 4.350 4.350 0.001 0.000 0.291 454 E CA 0.000 56.412 56.400 0.020 0.000 0.976 454 E CB 0.000 29.708 29.700 0.013 0.000 0.812 454 E HN 0.000 nan 8.360 nan 0.000 0.440