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 2dpj_1_A DATA FIRST_RESID 25 DATA SEQUENCE ASSRVIVHVD LDCFYAQVEM ISNPELKDKP LGVQQKYLVV TCNYEARKLG DATA SEQUENCE VKKLMNVRDA KEKCPQLVLV NGEDLTRYRE MSYKVTELLE EFSPVVERLG DATA SEQUENCE FDENFVDLTE MVEKRLQQLQ SDELSAVTVS GHVYNNQSIN LLDVLHIRLL DATA SEQUENCE VGSQIAAEMR EAMYNQLGLT GCAGVASNKL LAKLVSGVFK PNQQTVLLPE DATA SEQUENCE SCQHLIHSLN HIKEIPGIGY KTAKCLEALG INSVRDLQTF SPKILEKELG DATA SEQUENCE ISVAQRIQKL SFGEDNSPVI LSGPPQSFSE EDSFKKCSSE VEAKNKIEEL DATA SEQUENCE LASLLNRVCQ DGRKPHTVRL IIRRYSSEKH YGRESRQCPI PSHVIQXXXX DATA SEQUENCE XXXXVMTPMV DILMKLFRNM XXXXXXXXXT LLSVCFCNLK 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.586 177.584 0.004 0.000 1.274 25 A CA 0.000 52.041 52.037 0.006 0.000 0.836 25 A CB 0.000 19.003 19.000 0.004 0.000 0.831 26 S N -0.528 115.175 115.700 0.005 0.000 2.612 26 S HA 0.342 4.817 4.470 0.008 0.000 0.193 26 S C 1.049 175.654 174.600 0.008 0.000 0.898 26 S CA 0.964 59.166 58.200 0.004 0.000 0.872 26 S CB 0.105 63.307 63.200 0.003 0.000 0.843 26 S HN 0.748 nan 8.310 nan 0.000 0.611 27 S N 1.786 117.494 115.700 0.012 0.000 2.505 27 S HA 0.428 4.903 4.470 0.008 0.000 0.276 27 S C -0.352 174.260 174.600 0.021 0.000 1.274 27 S CA -0.319 57.892 58.200 0.017 0.000 1.053 27 S CB -0.013 63.201 63.200 0.023 0.000 0.919 27 S HN 0.351 nan 8.310 nan 0.000 0.490 28 R N 2.368 122.881 120.500 0.021 0.000 2.720 28 R HA 0.637 4.982 4.340 0.008 0.000 0.272 28 R C -1.197 175.122 176.300 0.031 0.000 0.991 28 R CA -0.848 55.266 56.100 0.023 0.000 1.010 28 R CB 1.518 31.827 30.300 0.016 0.000 1.141 28 R HN 0.371 nan 8.270 nan 0.000 0.494 29 V N 4.274 124.209 119.914 0.036 0.000 2.350 29 V HA 0.382 4.507 4.120 0.008 0.000 0.285 29 V C -0.379 175.745 176.094 0.050 0.000 1.014 29 V CA -0.630 61.696 62.300 0.042 0.000 0.831 29 V CB 1.348 33.196 31.823 0.041 0.000 1.000 29 V HN 0.527 nan 8.190 nan 0.000 0.433 30 I N 4.968 125.574 120.570 0.061 0.000 2.569 30 I HA 0.550 4.725 4.170 0.008 0.000 0.296 30 I C -0.245 175.936 176.117 0.106 0.000 1.028 30 I CA -0.774 60.580 61.300 0.091 0.000 1.082 30 I CB 2.048 40.110 38.000 0.103 0.000 1.264 30 I HN 0.361 nan 8.210 nan 0.000 0.429 31 V N 5.876 125.860 119.914 0.116 0.000 2.628 31 V HA 0.461 4.586 4.120 0.008 0.000 0.306 31 V C -0.851 175.324 176.094 0.136 0.000 1.045 31 V CA -0.400 61.953 62.300 0.089 0.000 0.905 31 V CB 2.029 33.857 31.823 0.007 0.000 0.997 31 V HN 0.817 nan 8.190 nan 0.000 0.436 32 H N 5.464 124.503 119.070 -0.050 0.000 2.539 32 H HA 0.635 5.195 4.556 0.007 0.000 0.332 32 H C -1.617 173.573 175.328 -0.230 0.000 1.031 32 H CA -0.580 55.312 56.048 -0.260 0.000 1.206 32 H CB 1.929 31.522 29.762 -0.281 0.000 1.446 32 H HN 0.520 nan 8.280 nan 0.000 0.496 33 V N 5.376 124.877 119.914 -0.689 0.000 2.435 33 V HA 0.170 4.295 4.120 0.008 0.000 0.290 33 V C -0.126 175.548 176.094 -0.700 0.000 1.030 33 V CA -0.563 61.426 62.300 -0.517 0.000 0.881 33 V CB 1.610 33.236 31.823 -0.329 0.000 0.983 33 V HN 0.759 nan 8.190 nan 0.000 0.445 34 D N 3.928 124.048 120.400 -0.466 0.000 2.602 34 D HA 0.396 5.041 4.640 0.008 0.000 0.245 34 D C -1.004 175.191 176.300 -0.176 0.000 1.325 34 D CA -0.425 53.359 54.000 -0.360 0.000 0.952 34 D CB 1.776 42.436 40.800 -0.233 0.000 1.317 34 D HN 0.180 nan 8.370 nan 0.000 0.577 35 L N 2.631 123.758 121.223 -0.159 0.000 2.436 35 L HA 0.272 4.617 4.340 0.008 0.000 0.265 35 L C 0.513 177.419 176.870 0.061 0.000 1.168 35 L CA -0.044 54.772 54.840 -0.040 0.000 0.815 35 L CB 0.585 42.618 42.059 -0.044 0.000 1.109 35 L HN 0.326 nan 8.230 nan 0.000 0.462 36 D N 0.797 121.269 120.400 0.120 0.000 2.390 36 D HA 0.066 4.711 4.640 0.008 0.000 0.249 36 D C 0.848 177.295 176.300 0.245 0.000 1.144 36 D CA 0.114 54.235 54.000 0.202 0.000 0.880 36 D CB 0.353 41.254 40.800 0.169 0.000 1.182 36 D HN 0.840 nan 8.370 nan 0.000 0.451 37 C N 2.518 121.951 119.300 0.222 0.000 3.447 37 C HA -0.251 4.214 4.460 0.008 0.000 0.270 37 C C 1.820 176.883 174.990 0.121 0.000 1.417 37 C CA -0.853 58.226 59.018 0.101 0.000 2.101 37 C CB -2.999 24.775 27.740 0.057 0.000 1.375 37 C HN 0.659 nan 8.230 nan 0.000 0.564 38 F N 1.585 121.516 119.950 -0.031 0.000 2.039 38 F HA -0.179 4.352 4.527 0.007 0.000 0.296 38 F C 2.217 178.058 175.800 0.068 0.000 1.119 38 F CA 2.691 60.702 58.000 0.018 0.000 1.211 38 F CB -0.787 38.221 39.000 0.012 0.000 0.956 38 F HN 0.484 nan 8.300 nan 0.000 0.496 39 Y N 0.223 120.226 120.300 -0.495 0.000 2.224 39 Y HA -0.100 4.455 4.550 0.009 0.000 0.289 39 Y C 2.640 178.290 175.900 -0.415 0.000 1.146 39 Y CA 0.730 58.288 58.100 -0.903 0.000 1.182 39 Y CB -1.781 36.105 38.460 -0.956 0.000 0.983 39 Y HN 0.201 nan 8.280 nan 0.000 0.524 40 A N -0.224 122.564 122.820 -0.052 0.000 1.898 40 A HA -0.232 4.093 4.320 0.008 0.000 0.216 40 A C 2.250 179.842 177.584 0.012 0.000 1.181 40 A CA 1.566 53.600 52.037 -0.004 0.000 0.620 40 A CB -0.798 18.204 19.000 0.003 0.000 0.819 40 A HN 0.470 nan 8.150 nan 0.000 0.442 41 Q N -0.486 119.327 119.800 0.022 0.000 2.077 41 Q HA -0.182 4.163 4.340 0.008 0.000 0.206 41 Q C 2.162 178.173 176.000 0.018 0.000 0.989 41 Q CA 2.107 57.943 55.803 0.055 0.000 0.853 41 Q CB -0.366 28.447 28.738 0.124 0.000 0.907 41 Q HN 0.514 nan 8.270 nan 0.000 0.418 42 V N 1.129 121.004 119.914 -0.066 0.000 2.343 42 V HA -0.226 3.899 4.120 0.008 0.000 0.247 42 V C 2.107 178.223 176.094 0.037 0.000 1.051 42 V CA 1.678 63.962 62.300 -0.026 0.000 1.036 42 V CB -0.485 31.316 31.823 -0.036 0.000 0.654 42 V HN 0.320 nan 8.190 nan 0.000 0.451 43 E N -0.246 119.989 120.200 0.059 0.000 2.072 43 E HA -0.165 4.190 4.350 0.008 0.000 0.191 43 E C 2.174 178.797 176.600 0.038 0.000 0.985 43 E CA 1.291 57.726 56.400 0.059 0.000 0.801 43 E CB -0.347 29.394 29.700 0.068 0.000 0.750 43 E HN 0.566 nan 8.360 nan 0.000 0.452 44 M N 0.091 119.716 119.600 0.040 0.000 2.213 44 M HA -0.114 4.371 4.480 0.008 0.000 0.263 44 M C 2.291 178.615 176.300 0.040 0.000 1.062 44 M CA 1.167 56.493 55.300 0.042 0.000 1.105 44 M CB -0.264 32.368 32.600 0.054 0.000 1.385 44 M HN 0.036 nan 8.290 nan 0.000 0.417 45 I N -0.901 119.692 120.570 0.039 0.000 2.353 45 I HA -0.221 3.954 4.170 0.008 0.000 0.248 45 I C 2.451 178.580 176.117 0.019 0.000 1.119 45 I CA 0.914 62.233 61.300 0.032 0.000 1.417 45 I CB -0.305 37.715 38.000 0.033 0.000 1.078 45 I HN 0.179 nan 8.210 nan 0.000 0.421 46 S N 0.405 116.114 115.700 0.015 0.000 2.356 46 S HA -0.126 4.349 4.470 0.008 0.000 0.223 46 S C 1.167 175.770 174.600 0.006 0.000 1.032 46 S CA 1.228 59.431 58.200 0.005 0.000 1.005 46 S CB -0.233 62.966 63.200 -0.002 0.000 0.867 46 S HN 0.351 nan 8.310 nan 0.000 0.449 47 N N 0.648 119.355 118.700 0.012 0.000 2.776 47 N HA 0.315 5.060 4.740 0.008 0.000 0.245 47 N C -2.590 172.931 175.510 0.018 0.000 1.121 47 N CA -2.262 50.796 53.050 0.012 0.000 0.852 47 N CB 1.315 39.809 38.487 0.011 0.000 1.142 47 N HN -0.108 nan 8.380 nan 0.000 0.514 48 P HA -0.132 nan 4.420 nan 0.000 0.217 48 P C 0.541 177.855 177.300 0.023 0.000 1.148 48 P CA 1.217 64.331 63.100 0.023 0.000 0.834 48 P CB 0.397 32.109 31.700 0.020 0.000 0.783 49 E N -1.045 119.166 120.200 0.018 0.000 2.455 49 E HA -0.117 4.238 4.350 0.008 0.000 0.202 49 E C 1.365 177.977 176.600 0.020 0.000 1.045 49 E CA 0.517 56.927 56.400 0.017 0.000 0.872 49 E CB -0.577 29.131 29.700 0.013 0.000 0.792 49 E HN 0.313 nan 8.360 nan 0.000 0.542 50 L N 0.323 121.560 121.223 0.023 0.000 2.567 50 L HA 0.062 4.407 4.340 0.008 0.000 0.225 50 L C 0.860 177.749 176.870 0.031 0.000 1.119 50 L CA 0.058 54.913 54.840 0.025 0.000 0.871 50 L CB -0.048 42.026 42.059 0.026 0.000 1.036 50 L HN -0.070 nan 8.230 nan 0.000 0.459 51 K N 1.045 121.465 120.400 0.034 0.000 2.187 51 K HA -0.047 4.278 4.320 0.008 0.000 0.247 51 K C 0.721 177.343 176.600 0.037 0.000 1.019 51 K CA 0.593 56.904 56.287 0.041 0.000 0.893 51 K CB 0.232 32.758 32.500 0.043 0.000 1.025 51 K HN 0.241 nan 8.250 nan 0.000 0.500 52 D N -1.471 118.953 120.400 0.041 0.000 2.979 52 D HA -0.254 4.391 4.640 0.008 0.000 0.208 52 D C -0.605 175.714 176.300 0.032 0.000 1.122 52 D CA 1.606 55.627 54.000 0.036 0.000 0.992 52 D CB -0.745 40.073 40.800 0.031 0.000 1.117 52 D HN 0.411 nan 8.370 nan 0.000 0.397 53 K N 1.685 122.103 120.400 0.030 0.000 2.143 53 K HA 0.430 4.755 4.320 0.008 0.000 0.272 53 K C -2.406 174.209 176.600 0.025 0.000 1.001 53 K CA -1.652 54.650 56.287 0.025 0.000 0.915 53 K CB 1.330 33.843 32.500 0.021 0.000 1.047 53 K HN -0.008 nan 8.250 nan 0.000 0.458 54 P HA 0.043 nan 4.420 nan 0.000 0.276 54 P C -1.281 176.024 177.300 0.009 0.000 1.253 54 P CA -0.349 62.759 63.100 0.014 0.000 0.766 54 P CB 0.592 32.297 31.700 0.009 0.000 0.845 55 L N 3.865 125.092 121.223 0.006 0.000 2.409 55 L HA 0.796 5.141 4.340 0.008 0.000 0.272 55 L C -0.436 176.430 176.870 -0.006 0.000 0.980 55 L CA -0.343 54.501 54.840 0.007 0.000 0.826 55 L CB 1.903 43.972 42.059 0.017 0.000 1.268 55 L HN 0.468 nan 8.230 nan 0.000 0.407 56 G N 3.784 112.582 108.800 -0.003 0.000 2.420 56 G HA2 0.628 4.593 3.960 0.008 0.000 0.331 56 G HA3 0.628 4.593 3.960 0.008 0.000 0.331 56 G C -1.592 173.315 174.900 0.010 0.000 1.168 56 G CA -0.588 44.508 45.100 -0.007 0.000 0.936 56 G HN 0.497 nan 8.290 nan 0.000 0.479 57 V N 1.444 121.368 119.914 0.017 0.000 2.417 57 V HA 0.458 4.583 4.120 0.008 0.000 0.291 57 V C 0.050 176.174 176.094 0.051 0.000 1.024 57 V CA -0.603 61.727 62.300 0.050 0.000 0.861 57 V CB 1.331 33.206 31.823 0.086 0.000 0.985 57 V HN 0.826 nan 8.190 nan 0.000 0.436 58 Q N 3.783 123.612 119.800 0.048 0.000 2.342 58 Q HA 0.601 4.946 4.340 0.008 0.000 0.267 58 Q C -1.296 174.722 176.000 0.031 0.000 1.038 58 Q CA -0.685 55.135 55.803 0.028 0.000 0.832 58 Q CB 2.066 30.807 28.738 0.005 0.000 1.323 58 Q HN 0.747 nan 8.270 nan 0.000 0.448 59 Q N 3.245 123.057 119.800 0.020 0.000 2.350 59 Q HA 0.269 4.614 4.340 0.008 0.000 0.255 59 Q C -0.833 175.153 176.000 -0.023 0.000 0.951 59 Q CA -0.745 55.067 55.803 0.015 0.000 0.751 59 Q CB 1.575 30.344 28.738 0.053 0.000 1.296 59 Q HN 0.660 nan 8.270 nan 0.000 0.453 60 K N -0.289 120.058 120.400 -0.089 0.000 2.443 60 K HA -0.271 4.054 4.320 0.008 0.000 0.175 60 K C 0.168 176.604 176.600 -0.273 0.000 1.379 60 K CA 1.834 58.001 56.287 -0.200 0.000 0.413 60 K CB -1.302 31.165 32.500 -0.055 0.000 0.695 60 K HN 0.757 nan 8.250 nan 0.000 0.754 61 Y N 0.877 121.180 120.300 0.006 0.000 2.532 61 Y HA 0.436 4.990 4.550 0.008 0.000 0.283 61 Y C 0.819 176.716 175.900 -0.005 0.000 1.181 61 Y CA -0.190 57.911 58.100 0.002 0.000 1.256 61 Y CB 0.441 38.900 38.460 -0.000 0.000 1.112 61 Y HN 0.106 nan 8.280 nan 0.000 0.521 62 L N 0.930 122.211 121.223 0.096 0.000 2.322 62 L HA 0.486 4.830 4.340 0.008 0.000 0.281 62 L C -0.775 176.112 176.870 0.028 0.000 1.014 62 L CA -0.987 53.886 54.840 0.056 0.000 0.815 62 L CB 1.785 43.867 42.059 0.037 0.000 1.247 62 L HN -0.201 nan 8.230 nan 0.000 0.421 63 V N 6.051 125.973 119.914 0.014 0.000 2.284 63 V HA 0.032 4.157 4.120 0.008 0.000 0.260 63 V C 1.017 177.098 176.094 -0.022 0.000 1.084 63 V CA -0.008 62.291 62.300 -0.001 0.000 0.894 63 V CB 1.140 32.958 31.823 -0.008 0.000 1.119 63 V HN 0.719 nan 8.190 nan 0.000 0.484 64 V N 3.945 123.849 119.914 -0.016 0.000 2.427 64 V HA -0.023 4.102 4.120 0.008 0.000 0.248 64 V C 1.020 177.049 176.094 -0.107 0.000 1.051 64 V CA 2.503 64.771 62.300 -0.052 0.000 1.048 64 V CB 0.652 32.467 31.823 -0.013 0.000 0.666 64 V HN 0.879 nan 8.190 nan 0.000 0.456 65 T N -1.379 113.117 114.554 -0.097 0.000 2.802 65 T HA 0.547 4.902 4.350 0.008 0.000 0.311 65 T C -1.493 173.152 174.700 -0.092 0.000 1.405 65 T CA -0.063 61.961 62.100 -0.127 0.000 1.016 65 T CB 1.217 69.970 68.868 -0.192 0.000 1.352 65 T HN 0.654 nan 8.240 nan 0.000 0.498 66 C N 2.960 122.188 119.300 -0.120 0.000 2.985 66 C HA 0.876 5.341 4.460 0.008 0.000 0.314 66 C C 0.149 175.055 174.990 -0.140 0.000 1.215 66 C CA -1.306 57.651 59.018 -0.101 0.000 1.414 66 C CB 0.367 28.051 27.740 -0.095 0.000 1.842 66 C HN 1.064 nan 8.230 nan 0.000 0.477 67 N N 0.320 118.977 118.700 -0.071 0.000 2.285 67 N HA 0.132 4.877 4.740 0.008 0.000 0.262 67 N C 0.207 175.654 175.510 -0.105 0.000 1.299 67 N CA -0.140 52.893 53.050 -0.029 0.000 0.930 67 N CB 0.086 38.607 38.487 0.057 0.000 1.157 67 N HN 0.766 nan 8.380 nan 0.000 0.532 68 Y N -1.806 118.501 120.300 0.011 0.000 2.373 68 Y HA -0.024 4.533 4.550 0.012 0.000 0.293 68 Y C 2.186 178.091 175.900 0.009 0.000 1.129 68 Y CA 0.949 59.054 58.100 0.009 0.000 1.226 68 Y CB -0.058 38.410 38.460 0.013 0.000 1.000 68 Y HN 0.586 nan 8.280 nan 0.000 0.549 69 E N 0.357 120.630 120.200 0.122 0.000 2.118 69 E HA -0.197 4.158 4.350 0.008 0.000 0.195 69 E C 2.268 178.885 176.600 0.029 0.000 0.992 69 E CA 1.304 57.746 56.400 0.069 0.000 0.804 69 E CB -0.299 29.435 29.700 0.056 0.000 0.741 69 E HN 0.380 nan 8.360 nan 0.000 0.458 70 A N 0.292 123.112 122.820 -0.000 0.000 1.929 70 A HA -0.111 4.214 4.320 0.008 0.000 0.216 70 A C 2.037 179.595 177.584 -0.043 0.000 1.176 70 A CA 1.229 53.252 52.037 -0.023 0.000 0.628 70 A CB -0.314 18.666 19.000 -0.034 0.000 0.816 70 A HN 0.139 nan 8.150 nan 0.000 0.444 71 R N -0.084 120.368 120.500 -0.080 0.000 2.193 71 R HA -0.079 4.266 4.340 0.008 0.000 0.229 71 R C 1.933 178.220 176.300 -0.021 0.000 1.110 71 R CA 1.323 57.371 56.100 -0.086 0.000 0.988 71 R CB -0.221 29.974 30.300 -0.177 0.000 0.871 71 R HN 0.496 nan 8.270 nan 0.000 0.458 72 K N 0.460 120.866 120.400 0.011 0.000 2.057 72 K HA -0.113 4.212 4.320 0.008 0.000 0.207 72 K C 1.231 177.837 176.600 0.010 0.000 1.049 72 K CA 1.109 57.411 56.287 0.024 0.000 0.931 72 K CB -0.015 32.508 32.500 0.039 0.000 0.714 72 K HN 0.039 nan 8.250 nan 0.000 0.440 73 L N -0.255 120.969 121.223 0.003 0.000 2.645 73 L HA 0.136 4.481 4.340 0.008 0.000 0.235 73 L C 1.192 178.057 176.870 -0.009 0.000 1.150 73 L CA 0.798 55.637 54.840 -0.001 0.000 0.911 73 L CB 0.090 42.149 42.059 -0.000 0.000 1.077 73 L HN 0.423 nan 8.230 nan 0.000 0.438 74 G N -1.659 107.132 108.800 -0.014 0.000 2.213 74 G HA2 -0.266 3.699 3.960 0.008 0.000 0.236 74 G HA3 -0.266 3.699 3.960 0.008 0.000 0.236 74 G C 0.400 175.282 174.900 -0.029 0.000 0.991 74 G CA -0.035 45.054 45.100 -0.019 0.000 0.629 74 G HN 0.102 nan 8.290 nan 0.000 0.517 75 V N 2.250 122.144 119.914 -0.034 0.000 2.584 75 V HA 0.337 4.462 4.120 0.008 0.000 0.303 75 V C 0.754 176.809 176.094 -0.064 0.000 1.035 75 V CA 0.409 62.682 62.300 -0.045 0.000 1.172 75 V CB 0.976 32.771 31.823 -0.047 0.000 0.896 75 V HN 0.323 nan 8.190 nan 0.000 0.486 76 K N 3.533 123.896 120.400 -0.061 0.000 2.280 76 K HA 0.554 4.879 4.320 0.008 0.000 0.234 76 K C -0.278 176.273 176.600 -0.082 0.000 1.028 76 K CA -1.050 55.193 56.287 -0.074 0.000 0.882 76 K CB 1.541 34.005 32.500 -0.059 0.000 1.194 76 K HN 0.526 nan 8.250 nan 0.000 0.458 77 K N 1.255 121.599 120.400 -0.092 0.000 2.218 77 K HA 0.256 4.581 4.320 0.008 0.000 0.276 77 K C 0.050 176.601 176.600 -0.082 0.000 1.022 77 K CA -0.177 56.051 56.287 -0.099 0.000 0.946 77 K CB 0.292 32.724 32.500 -0.113 0.000 1.000 77 K HN 0.462 nan 8.250 nan 0.000 0.468 78 L N 0.762 121.939 121.223 -0.076 0.000 3.717 78 L HA -0.242 4.103 4.340 0.008 0.000 0.411 78 L C -0.088 176.754 176.870 -0.048 0.000 1.233 78 L CA 0.178 54.981 54.840 -0.061 0.000 0.917 78 L CB -1.700 40.316 42.059 -0.072 0.000 1.902 78 L HN 0.748 nan 8.230 nan 0.000 0.894 79 M N 1.258 120.834 119.600 -0.039 0.000 2.288 79 M HA 0.351 4.836 4.480 0.008 0.000 0.334 79 M C 0.794 177.089 176.300 -0.008 0.000 1.150 79 M CA -0.149 55.135 55.300 -0.028 0.000 1.118 79 M CB 0.727 33.310 32.600 -0.028 0.000 1.501 79 M HN 0.227 nan 8.290 nan 0.000 0.462 80 N N 2.097 120.797 118.700 -0.000 0.000 2.416 80 N HA -0.036 4.709 4.740 0.008 0.000 0.246 80 N C 0.792 176.323 175.510 0.034 0.000 1.260 80 N CA -0.290 52.777 53.050 0.028 0.000 0.897 80 N CB 0.658 39.156 38.487 0.019 0.000 1.110 80 N HN 0.503 nan 8.380 nan 0.000 0.439 81 V N 2.421 122.374 119.914 0.066 0.000 2.277 81 V HA -0.332 3.793 4.120 0.008 0.000 0.253 81 V C 2.594 178.714 176.094 0.044 0.000 1.067 81 V CA 1.992 64.327 62.300 0.059 0.000 1.047 81 V CB -0.491 31.388 31.823 0.093 0.000 0.649 81 V HN 0.691 nan 8.190 nan 0.000 0.447 82 R N -0.355 120.173 120.500 0.046 0.000 2.096 82 R HA -0.200 4.145 4.340 0.008 0.000 0.229 82 R C 2.056 178.363 176.300 0.010 0.000 1.134 82 R CA 2.169 58.285 56.100 0.025 0.000 0.917 82 R CB -0.693 29.614 30.300 0.013 0.000 0.832 82 R HN 0.489 nan 8.270 nan 0.000 0.430 83 D N -0.028 120.373 120.400 0.002 0.000 2.239 83 D HA -0.192 4.453 4.640 0.008 0.000 0.202 83 D C 1.556 177.853 176.300 -0.005 0.000 0.993 83 D CA 1.624 55.620 54.000 -0.006 0.000 0.874 83 D CB -0.144 40.649 40.800 -0.013 0.000 0.922 83 D HN 0.391 nan 8.370 nan 0.000 0.464 84 A N -0.190 122.630 122.820 -0.000 0.000 1.935 84 A HA -0.021 4.304 4.320 0.008 0.000 0.214 84 A C 2.011 179.594 177.584 -0.001 0.000 1.178 84 A CA 0.833 52.868 52.037 -0.004 0.000 0.640 84 A CB -0.042 18.956 19.000 -0.003 0.000 0.825 84 A HN 0.056 nan 8.150 nan 0.000 0.447 85 K N -0.249 120.155 120.400 0.006 0.000 2.361 85 K HA -0.029 4.295 4.320 0.008 0.000 0.196 85 K C 1.643 178.246 176.600 0.005 0.000 1.039 85 K CA 1.007 57.299 56.287 0.007 0.000 1.001 85 K CB 0.143 32.652 32.500 0.014 0.000 0.795 85 K HN 0.779 nan 8.250 nan 0.000 0.495 86 E N -0.428 119.774 120.200 0.003 0.000 2.447 86 E HA -0.065 4.290 4.350 0.008 0.000 0.195 86 E C 1.533 178.132 176.600 -0.002 0.000 1.028 86 E CA 0.472 56.872 56.400 0.001 0.000 0.876 86 E CB 0.329 30.029 29.700 0.000 0.000 0.885 86 E HN -0.069 nan 8.360 nan 0.000 0.500 87 K N 0.111 120.509 120.400 -0.004 0.000 2.243 87 K HA 0.091 4.416 4.320 0.008 0.000 0.201 87 K C -0.205 176.392 176.600 -0.004 0.000 1.051 87 K CA 0.761 57.044 56.287 -0.006 0.000 0.970 87 K CB 0.616 33.110 32.500 -0.011 0.000 0.755 87 K HN 0.251 nan 8.250 nan 0.000 0.465 88 C N 0.681 119.980 119.300 -0.003 0.000 3.354 88 C HA 0.447 4.912 4.460 0.008 0.000 0.314 88 C C -2.404 172.587 174.990 0.002 0.000 1.019 88 C CA -1.800 57.217 59.018 -0.001 0.000 1.293 88 C CB 0.578 28.315 27.740 -0.004 0.000 1.747 88 C HN 0.206 nan 8.230 nan 0.000 0.580 89 P HA -0.135 nan 4.420 nan 0.000 0.223 89 P C 1.120 178.424 177.300 0.006 0.000 1.144 89 P CA 1.365 64.468 63.100 0.005 0.000 0.783 89 P CB 0.007 31.709 31.700 0.005 0.000 0.771 90 Q N -1.012 118.791 119.800 0.005 0.000 2.322 90 Q HA 0.137 4.482 4.340 0.008 0.000 0.203 90 Q C 0.352 176.356 176.000 0.007 0.000 0.923 90 Q CA -0.210 55.597 55.803 0.006 0.000 0.949 90 Q CB -0.519 28.223 28.738 0.007 0.000 1.039 90 Q HN 0.166 nan 8.270 nan 0.000 0.496 91 L N 1.436 122.662 121.223 0.005 0.000 2.361 91 L HA 0.189 4.534 4.340 0.008 0.000 0.278 91 L C -0.509 176.364 176.870 0.006 0.000 1.113 91 L CA -0.433 54.410 54.840 0.004 0.000 0.849 91 L CB 0.956 43.015 42.059 0.001 0.000 1.155 91 L HN -0.040 nan 8.230 nan 0.000 0.452 92 V N 6.821 126.739 119.914 0.008 0.000 2.655 92 V HA 0.105 4.230 4.120 0.008 0.000 0.300 92 V C 0.452 176.552 176.094 0.009 0.000 1.044 92 V CA -0.013 62.292 62.300 0.009 0.000 1.095 92 V CB 0.673 32.503 31.823 0.011 0.000 0.952 92 V HN 0.613 nan 8.190 nan 0.000 0.485 93 L N 5.891 127.120 121.223 0.009 0.000 2.356 93 L HA 0.691 5.036 4.340 0.008 0.000 0.277 93 L C -0.406 176.471 176.870 0.012 0.000 0.996 93 L CA -0.679 54.166 54.840 0.010 0.000 0.822 93 L CB 1.984 44.047 42.059 0.007 0.000 1.256 93 L HN 0.631 nan 8.230 nan 0.000 0.413 94 V N 0.038 119.964 119.914 0.020 0.000 2.815 94 V HA 0.508 4.633 4.120 0.008 0.000 0.314 94 V C -0.332 175.780 176.094 0.030 0.000 1.064 94 V CA -0.817 61.496 62.300 0.023 0.000 0.952 94 V CB 1.907 33.748 31.823 0.030 0.000 1.020 94 V HN 0.798 nan 8.190 nan 0.000 0.439 95 N N 2.347 121.059 118.700 0.020 0.000 2.470 95 N HA 0.307 5.052 4.740 0.008 0.000 0.268 95 N C 0.547 176.084 175.510 0.046 0.000 1.136 95 N CA 0.598 53.660 53.050 0.019 0.000 0.961 95 N CB 1.715 40.200 38.487 -0.004 0.000 1.067 95 N HN 1.161 nan 8.380 nan 0.000 0.468 96 G N 2.854 111.703 108.800 0.082 0.000 4.044 96 G HA2 0.082 4.047 3.960 0.008 0.000 0.297 96 G HA3 0.082 4.047 3.960 0.008 0.000 0.297 96 G C 0.802 175.771 174.900 0.115 0.000 1.101 96 G CA -0.246 44.944 45.100 0.150 0.000 0.884 96 G HN 0.651 nan 8.290 nan 0.000 0.538 97 E N 0.074 120.300 120.200 0.044 0.000 2.107 97 E HA -0.054 4.301 4.350 0.008 0.000 0.191 97 E C 0.325 176.937 176.600 0.019 0.000 0.982 97 E CA 0.354 56.775 56.400 0.035 0.000 0.809 97 E CB 0.265 29.971 29.700 0.011 0.000 0.756 97 E HN 0.289 nan 8.360 nan 0.000 0.459 98 D N 0.138 120.520 120.400 -0.031 0.000 2.316 98 D HA 0.055 4.700 4.640 0.008 0.000 0.245 98 D C 0.359 176.554 176.300 -0.174 0.000 1.171 98 D CA 0.042 54.002 54.000 -0.067 0.000 0.856 98 D CB 1.004 41.750 40.800 -0.090 0.000 1.090 98 D HN 0.026 nan 8.370 nan 0.000 0.476 99 L N 3.010 124.184 121.223 -0.082 0.000 2.607 99 L HA 0.013 4.358 4.340 0.008 0.000 0.228 99 L C 2.004 178.808 176.870 -0.109 0.000 1.123 99 L CA 0.004 54.813 54.840 -0.051 0.000 0.890 99 L CB -0.025 42.196 42.059 0.270 0.000 1.103 99 L HN 0.395 nan 8.230 nan 0.000 0.468 100 T N 0.433 114.911 114.554 -0.126 0.000 2.624 100 T HA -0.242 4.113 4.350 0.008 0.000 0.268 100 T C 1.987 176.614 174.700 -0.121 0.000 1.041 100 T CA 1.672 63.729 62.100 -0.072 0.000 1.159 100 T CB -0.139 68.683 68.868 -0.077 0.000 0.863 100 T HN 0.388 nan 8.240 nan 0.000 0.434 101 R N -0.185 120.142 120.500 -0.288 0.000 2.115 101 R HA -0.031 4.314 4.340 0.008 0.000 0.230 101 R C 2.338 178.548 176.300 -0.151 0.000 1.111 101 R CA 1.293 57.247 56.100 -0.243 0.000 0.976 101 R CB -0.484 29.635 30.300 -0.302 0.000 0.870 101 R HN 0.577 nan 8.270 nan 0.000 0.445 102 Y N 0.462 120.723 120.300 -0.065 0.000 2.263 102 Y HA -0.097 4.458 4.550 0.009 0.000 0.292 102 Y C 2.769 178.792 175.900 0.205 0.000 1.130 102 Y CA 0.450 58.557 58.100 0.011 0.000 1.179 102 Y CB -0.164 38.262 38.460 -0.057 0.000 0.998 102 Y HN 0.010 nan 8.280 nan 0.000 0.532 103 R N 1.241 121.853 120.500 0.186 0.000 2.075 103 R HA -0.173 4.172 4.340 0.008 0.000 0.232 103 R C 1.755 178.062 176.300 0.011 0.000 1.126 103 R CA 1.757 57.767 56.100 -0.150 0.000 0.963 103 R CB -0.191 30.062 30.300 -0.077 0.000 0.858 103 R HN 0.405 nan 8.270 nan 0.000 0.435 104 E N 0.077 120.327 120.200 0.082 0.000 2.077 104 E HA -0.230 4.125 4.350 0.008 0.000 0.193 104 E C 1.910 178.590 176.600 0.134 0.000 0.989 104 E CA 1.575 58.044 56.400 0.115 0.000 0.800 104 E CB -0.095 29.641 29.700 0.059 0.000 0.746 104 E HN 0.203 nan 8.360 nan 0.000 0.452 105 M N 0.346 120.045 119.600 0.165 0.000 2.175 105 M HA -0.114 4.371 4.480 0.008 0.000 0.264 105 M C 2.262 178.695 176.300 0.222 0.000 1.063 105 M CA 1.224 56.663 55.300 0.231 0.000 1.119 105 M CB -0.197 32.596 32.600 0.321 0.000 1.377 105 M HN -0.085 nan 8.290 nan 0.000 0.415 106 S N -1.036 114.775 115.700 0.186 0.000 2.383 106 S HA -0.186 4.289 4.470 0.008 0.000 0.229 106 S C 1.859 176.250 174.600 -0.349 0.000 1.030 106 S CA 1.459 59.555 58.200 -0.173 0.000 1.002 106 S CB -0.412 62.522 63.200 -0.445 0.000 0.829 106 S HN 0.651 nan 8.310 nan 0.000 0.467 107 Y N 1.298 121.561 120.300 -0.063 0.000 2.337 107 Y HA 0.116 4.672 4.550 0.009 0.000 0.293 107 Y C 2.425 178.321 175.900 -0.008 0.000 1.123 107 Y CA 0.987 59.060 58.100 -0.046 0.000 1.201 107 Y CB -0.007 38.425 38.460 -0.047 0.000 1.011 107 Y HN 0.193 nan 8.280 nan 0.000 0.545 108 K N -0.456 120.014 120.400 0.117 0.000 2.097 108 K HA -0.152 4.173 4.320 0.008 0.000 0.206 108 K C 1.962 178.597 176.600 0.058 0.000 1.049 108 K CA 1.528 57.870 56.287 0.091 0.000 0.933 108 K CB -0.440 32.112 32.500 0.087 0.000 0.717 108 K HN 0.136 nan 8.250 nan 0.000 0.442 109 V N 1.151 121.076 119.914 0.018 0.000 2.307 109 V HA -0.225 3.899 4.120 0.008 0.000 0.245 109 V C 2.180 178.258 176.094 -0.026 0.000 1.045 109 V CA 2.025 64.316 62.300 -0.016 0.000 1.024 109 V CB -0.539 31.233 31.823 -0.084 0.000 0.651 109 V HN 0.383 nan 8.190 nan 0.000 0.449 110 T N -0.491 114.027 114.554 -0.059 0.000 2.746 110 T HA -0.214 4.141 4.350 0.008 0.000 0.267 110 T C 1.819 176.549 174.700 0.050 0.000 1.039 110 T CA 1.722 63.803 62.100 -0.031 0.000 1.142 110 T CB -0.233 68.595 68.868 -0.067 0.000 0.866 110 T HN 0.560 nan 8.240 nan 0.000 0.444 111 E N 0.469 120.718 120.200 0.081 0.000 2.150 111 E HA -0.007 4.348 4.350 0.008 0.000 0.193 111 E C 2.181 178.837 176.600 0.093 0.000 0.985 111 E CA 0.451 56.907 56.400 0.094 0.000 0.814 111 E CB -0.186 29.573 29.700 0.099 0.000 0.752 111 E HN 0.376 nan 8.360 nan 0.000 0.466 112 L N 0.806 122.087 121.223 0.096 0.000 2.017 112 L HA -0.195 4.150 4.340 0.008 0.000 0.208 112 L C 2.162 179.170 176.870 0.230 0.000 1.073 112 L CA 1.172 56.095 54.840 0.140 0.000 0.745 112 L CB -0.075 42.064 42.059 0.134 0.000 0.894 112 L HN 0.183 nan 8.230 nan 0.000 0.432 113 L N -0.527 120.798 121.223 0.171 0.000 2.141 113 L HA -0.201 4.144 4.340 0.008 0.000 0.209 113 L C 2.337 179.342 176.870 0.225 0.000 1.094 113 L CA 1.107 56.062 54.840 0.191 0.000 0.763 113 L CB -0.545 41.531 42.059 0.028 0.000 0.908 113 L HN 0.321 nan 8.230 nan 0.000 0.437 114 E N -0.039 120.249 120.200 0.147 0.000 2.268 114 E HA -0.233 4.122 4.350 0.008 0.000 0.195 114 E C 1.983 178.651 176.600 0.113 0.000 0.995 114 E CA 0.606 57.076 56.400 0.118 0.000 0.836 114 E CB 0.061 29.813 29.700 0.087 0.000 0.763 114 E HN 0.450 nan 8.360 nan 0.000 0.491 115 E N -0.045 120.223 120.200 0.114 0.000 2.106 115 E HA -0.172 4.183 4.350 0.008 0.000 0.192 115 E C 1.419 178.001 176.600 -0.030 0.000 0.984 115 E CA 0.743 57.153 56.400 0.017 0.000 0.806 115 E CB 0.051 29.728 29.700 -0.038 0.000 0.750 115 E HN 0.186 nan 8.360 nan 0.000 0.458 116 F N 0.422 120.382 119.950 0.017 0.000 2.084 116 F HA -0.027 4.506 4.527 0.010 0.000 0.296 116 F C 1.380 177.192 175.800 0.019 0.000 1.111 116 F CA 0.917 58.927 58.000 0.017 0.000 1.224 116 F CB 0.116 39.126 39.000 0.017 0.000 0.991 116 F HN -0.156 nan 8.300 nan 0.000 0.471 117 S N -0.340 115.488 115.700 0.215 0.000 2.603 117 S HA 0.312 4.787 4.470 0.008 0.000 0.274 117 S C -2.142 172.519 174.600 0.102 0.000 1.168 117 S CA -1.351 56.926 58.200 0.128 0.000 0.963 117 S CB 1.596 64.869 63.200 0.122 0.000 1.078 117 S HN -0.195 nan 8.310 nan 0.000 0.477 118 P HA -0.022 nan 4.420 nan 0.000 0.221 118 P C 0.262 177.600 177.300 0.064 0.000 1.145 118 P CA 0.730 63.867 63.100 0.063 0.000 0.795 118 P CB -0.037 31.691 31.700 0.046 0.000 0.775 119 V N 1.792 121.744 119.914 0.064 0.000 2.304 119 V HA 0.149 4.274 4.120 0.008 0.000 0.262 119 V C 0.201 176.339 176.094 0.074 0.000 1.061 119 V CA -0.353 61.983 62.300 0.060 0.000 0.872 119 V CB 1.213 33.065 31.823 0.049 0.000 1.077 119 V HN -0.220 nan 8.190 nan 0.000 0.480 120 V N 4.456 124.416 119.914 0.077 0.000 2.444 120 V HA 0.406 4.531 4.120 0.008 0.000 0.294 120 V C -0.012 176.140 176.094 0.097 0.000 1.022 120 V CA -0.679 61.674 62.300 0.088 0.000 0.850 120 V CB 2.036 33.903 31.823 0.074 0.000 0.992 120 V HN 0.861 nan 8.190 nan 0.000 0.426 121 E N 4.809 125.093 120.200 0.140 0.000 2.174 121 E HA 0.467 4.822 4.350 0.008 0.000 0.282 121 E C -0.348 176.362 176.600 0.183 0.000 0.992 121 E CA -0.689 55.806 56.400 0.160 0.000 0.803 121 E CB 0.939 30.746 29.700 0.178 0.000 1.090 121 E HN 0.572 nan 8.360 nan 0.000 0.396 122 R N 3.338 123.908 120.500 0.116 0.000 2.500 122 R HA 0.492 4.837 4.340 0.008 0.000 0.275 122 R C -0.432 175.945 176.300 0.129 0.000 1.051 122 R CA -0.610 55.530 56.100 0.066 0.000 1.088 122 R CB 0.964 31.263 30.300 -0.001 0.000 1.063 122 R HN 0.450 nan 8.270 nan 0.000 0.511 123 L N 2.087 123.369 121.223 0.098 0.000 2.504 123 L HA 0.359 4.704 4.340 0.008 0.000 0.265 123 L C 0.029 176.942 176.870 0.071 0.000 0.975 123 L CA 0.028 54.942 54.840 0.123 0.000 0.864 123 L CB 1.415 43.591 42.059 0.194 0.000 1.212 123 L HN 0.987 nan 8.230 nan 0.000 0.416 124 G N 2.762 111.621 108.800 0.098 0.000 2.697 124 G HA2 -0.331 3.634 3.960 0.008 0.000 0.240 124 G HA3 -0.331 3.634 3.960 0.008 0.000 0.240 124 G C 0.194 175.252 174.900 0.262 0.000 1.346 124 G CA 0.443 45.617 45.100 0.122 0.000 0.887 124 G HN 0.605 nan 8.290 nan 0.000 0.569 125 F N 0.748 120.660 119.950 -0.064 0.000 2.789 125 F HA 0.158 4.689 4.527 0.007 0.000 0.300 125 F C 2.097 177.656 175.800 -0.402 0.000 1.132 125 F CA 0.705 58.642 58.000 -0.106 0.000 1.404 125 F CB 0.399 39.520 39.000 0.202 0.000 1.114 125 F HN 0.538 nan 8.300 nan 0.000 0.584 126 D N -0.858 119.405 120.400 -0.229 0.000 2.556 126 D HA 0.062 4.707 4.640 0.008 0.000 0.237 126 D C -0.207 175.874 176.300 -0.365 0.000 1.296 126 D CA 0.078 53.751 54.000 -0.546 0.000 0.807 126 D CB -0.233 40.170 40.800 -0.662 0.000 1.084 126 D HN 0.197 nan 8.370 nan 0.000 0.510 127 E N 0.204 120.247 120.200 -0.260 0.000 2.238 127 E HA 0.493 4.848 4.350 0.008 0.000 0.267 127 E C -0.730 175.702 176.600 -0.280 0.000 0.887 127 E CA -0.811 55.395 56.400 -0.324 0.000 0.769 127 E CB 1.807 31.397 29.700 -0.182 0.000 1.187 127 E HN 0.029 nan 8.360 nan 0.000 0.416 128 N N 2.101 120.571 118.700 -0.384 0.000 2.260 128 N HA 0.366 5.111 4.740 0.008 0.000 0.293 128 N C -1.444 173.919 175.510 -0.244 0.000 1.058 128 N CA -0.470 52.457 53.050 -0.205 0.000 0.824 128 N CB 1.612 40.010 38.487 -0.149 0.000 1.551 128 N HN 0.230 nan 8.380 nan 0.000 0.475 129 F N 0.720 120.689 119.950 0.032 0.000 2.450 129 F HA 0.561 5.093 4.527 0.009 0.000 0.332 129 F C 0.327 176.139 175.800 0.020 0.000 1.093 129 F CA -0.711 57.324 58.000 0.058 0.000 1.003 129 F CB 1.647 40.691 39.000 0.072 0.000 1.151 129 F HN -0.024 nan 8.300 nan 0.000 0.474 130 V N 1.611 121.652 119.914 0.212 0.000 2.686 130 V HA 0.230 4.355 4.120 0.008 0.000 0.306 130 V C -1.031 175.131 176.094 0.113 0.000 1.065 130 V CA -0.953 61.422 62.300 0.124 0.000 0.894 130 V CB 1.974 33.833 31.823 0.059 0.000 1.004 130 V HN 0.621 nan 8.190 nan 0.000 0.424 131 D N 3.895 124.348 120.400 0.088 0.000 2.365 131 D HA 0.278 4.923 4.640 0.008 0.000 0.237 131 D C 0.662 176.999 176.300 0.062 0.000 1.190 131 D CA -0.070 53.969 54.000 0.066 0.000 0.867 131 D CB 1.391 42.218 40.800 0.046 0.000 1.050 131 D HN 0.513 nan 8.370 nan 0.000 0.491 132 L N 3.015 124.274 121.223 0.059 0.000 2.591 132 L HA -0.014 4.331 4.340 0.008 0.000 0.228 132 L C 2.082 178.982 176.870 0.051 0.000 1.133 132 L CA 0.109 54.984 54.840 0.058 0.000 0.880 132 L CB -0.074 42.014 42.059 0.049 0.000 1.033 132 L HN 0.331 nan 8.230 nan 0.000 0.450 133 T N -0.380 114.201 114.554 0.045 0.000 2.759 133 T HA -0.213 4.142 4.350 0.008 0.000 0.269 133 T C 1.729 176.451 174.700 0.037 0.000 1.042 133 T CA 1.456 63.579 62.100 0.038 0.000 1.140 133 T CB -0.012 68.874 68.868 0.031 0.000 0.864 133 T HN 0.415 nan 8.240 nan 0.000 0.455 134 E N 0.196 120.420 120.200 0.039 0.000 2.107 134 E HA 0.036 4.391 4.350 0.008 0.000 0.191 134 E C 2.201 178.825 176.600 0.040 0.000 0.982 134 E CA 0.641 57.062 56.400 0.036 0.000 0.809 134 E CB -0.129 29.591 29.700 0.034 0.000 0.756 134 E HN 0.410 nan 8.360 nan 0.000 0.459 135 M N 0.305 119.936 119.600 0.051 0.000 2.132 135 M HA -0.157 4.328 4.480 0.008 0.000 0.263 135 M C 2.220 178.552 176.300 0.053 0.000 1.065 135 M CA 1.048 56.383 55.300 0.059 0.000 1.122 135 M CB 0.145 32.795 32.600 0.084 0.000 1.365 135 M HN 0.021 nan 8.290 nan 0.000 0.411 136 V N 0.334 120.278 119.914 0.049 0.000 2.287 136 V HA -0.274 3.851 4.120 0.008 0.000 0.248 136 V C 2.353 178.469 176.094 0.036 0.000 1.053 136 V CA 1.809 64.135 62.300 0.043 0.000 1.027 136 V CB -0.757 31.090 31.823 0.041 0.000 0.646 136 V HN 0.458 nan 8.190 nan 0.000 0.447 137 E N 0.166 120.386 120.200 0.033 0.000 2.077 137 E HA -0.258 4.097 4.350 0.008 0.000 0.193 137 E C 2.313 178.928 176.600 0.026 0.000 0.989 137 E CA 1.626 58.042 56.400 0.028 0.000 0.800 137 E CB -0.237 29.478 29.700 0.025 0.000 0.746 137 E HN 0.626 nan 8.360 nan 0.000 0.452 138 K N 0.877 121.293 120.400 0.027 0.000 2.097 138 K HA -0.134 4.191 4.320 0.008 0.000 0.206 138 K C 2.069 178.684 176.600 0.025 0.000 1.049 138 K CA 0.997 57.298 56.287 0.024 0.000 0.933 138 K CB -0.016 32.498 32.500 0.024 0.000 0.717 138 K HN -0.036 nan 8.250 nan 0.000 0.442 139 R N 0.538 121.056 120.500 0.030 0.000 2.096 139 R HA -0.071 4.274 4.340 0.008 0.000 0.235 139 R C 2.441 178.756 176.300 0.025 0.000 1.127 139 R CA 1.269 57.386 56.100 0.029 0.000 0.968 139 R CB -0.336 29.985 30.300 0.036 0.000 0.861 139 R HN 0.269 nan 8.270 nan 0.000 0.440 140 L N 0.510 121.748 121.223 0.025 0.000 2.093 140 L HA -0.191 4.154 4.340 0.008 0.000 0.208 140 L C 2.123 179.004 176.870 0.018 0.000 1.085 140 L CA 1.387 56.240 54.840 0.022 0.000 0.755 140 L CB -0.204 41.869 42.059 0.023 0.000 0.904 140 L HN 0.237 nan 8.230 nan 0.000 0.435 141 Q N -1.126 118.685 119.800 0.017 0.000 2.435 141 Q HA -0.165 4.179 4.340 0.008 0.000 0.207 141 Q C 1.972 177.980 176.000 0.013 0.000 0.956 141 Q CA 0.510 56.321 55.803 0.014 0.000 0.917 141 Q CB 0.215 28.961 28.738 0.013 0.000 0.997 141 Q HN 0.285 nan 8.270 nan 0.000 0.497 142 Q N -0.011 119.798 119.800 0.014 0.000 2.245 142 Q HA 0.072 4.417 4.340 0.008 0.000 0.201 142 Q C -0.123 175.884 176.000 0.012 0.000 0.955 142 Q CA 0.610 56.421 55.803 0.013 0.000 0.870 142 Q CB 0.379 29.125 28.738 0.014 0.000 0.945 142 Q HN 0.293 nan 8.270 nan 0.000 0.461 143 L N 2.369 123.600 121.223 0.013 0.000 2.319 143 L HA 0.148 4.493 4.340 0.008 0.000 0.280 143 L C 0.511 177.388 176.870 0.010 0.000 1.099 143 L CA -0.576 54.271 54.840 0.012 0.000 0.828 143 L CB 0.756 42.824 42.059 0.014 0.000 1.150 143 L HN 0.267 nan 8.230 nan 0.000 0.442 144 Q N 1.436 121.241 119.800 0.009 0.000 2.492 144 Q HA 0.097 4.442 4.340 0.008 0.000 0.238 144 Q C 0.195 176.200 176.000 0.007 0.000 1.045 144 Q CA -0.537 55.270 55.803 0.007 0.000 0.934 144 Q CB 0.382 29.124 28.738 0.006 0.000 1.276 144 Q HN 0.605 nan 8.270 nan 0.000 0.521 145 S N 0.353 116.056 115.700 0.006 0.000 3.361 145 S HA 0.137 4.612 4.470 0.008 0.000 0.246 145 S C 0.137 174.740 174.600 0.006 0.000 1.237 145 S CA 0.317 58.521 58.200 0.006 0.000 1.240 145 S CB -1.315 61.888 63.200 0.005 0.000 1.154 145 S HN 0.782 nan 8.310 nan 0.000 0.461 146 D N 1.561 121.965 120.400 0.006 0.000 2.278 146 D HA 0.010 4.655 4.640 0.008 0.000 0.228 146 D C 1.216 177.520 176.300 0.006 0.000 1.364 146 D CA 0.118 54.121 54.000 0.006 0.000 1.345 146 D CB -0.593 40.210 40.800 0.005 0.000 1.961 146 D HN 0.524 nan 8.370 nan 0.000 0.396 147 E N 0.656 120.860 120.200 0.007 0.000 2.463 147 E HA 0.033 4.388 4.350 0.008 0.000 0.201 147 E C 1.965 178.571 176.600 0.010 0.000 1.045 147 E CA 0.714 57.119 56.400 0.008 0.000 0.872 147 E CB -0.011 29.694 29.700 0.008 0.000 0.797 147 E HN 0.534 nan 8.360 nan 0.000 0.538 148 L N 1.110 122.340 121.223 0.011 0.000 2.353 148 L HA -0.094 4.251 4.340 0.008 0.000 0.220 148 L C 1.716 178.594 176.870 0.014 0.000 1.133 148 L CA 1.022 55.870 54.840 0.013 0.000 0.798 148 L CB 0.046 42.113 42.059 0.013 0.000 0.922 148 L HN -0.015 nan 8.230 nan 0.000 0.445 149 S N -0.770 114.936 115.700 0.011 0.000 2.501 149 S HA 0.192 4.667 4.470 0.008 0.000 0.220 149 S C 1.671 176.277 174.600 0.010 0.000 0.997 149 S CA 0.532 58.738 58.200 0.011 0.000 0.919 149 S CB 0.216 63.421 63.200 0.008 0.000 0.778 149 S HN 0.545 nan 8.310 nan 0.000 0.523 150 A N 1.047 123.873 122.820 0.009 0.000 2.308 150 A HA 0.402 4.727 4.320 0.008 0.000 0.217 150 A C 0.689 178.278 177.584 0.008 0.000 1.216 150 A CA -0.208 51.834 52.037 0.007 0.000 0.864 150 A CB -0.078 18.925 19.000 0.005 0.000 0.902 150 A HN 0.227 nan 8.150 nan 0.000 0.499 151 V N 2.590 122.511 119.914 0.013 0.000 2.557 151 V HA 0.209 4.334 4.120 0.008 0.000 0.301 151 V C 0.918 177.019 176.094 0.012 0.000 1.026 151 V CA 1.121 63.430 62.300 0.015 0.000 1.137 151 V CB 0.083 31.919 31.823 0.022 0.000 0.917 151 V HN 0.671 nan 8.190 nan 0.000 0.484 152 T N 2.335 116.893 114.554 0.006 0.000 2.888 152 T HA 0.673 5.028 4.350 0.008 0.000 0.288 152 T C -0.378 174.318 174.700 -0.006 0.000 1.063 152 T CA -0.751 61.348 62.100 -0.002 0.000 1.010 152 T CB 1.806 70.667 68.868 -0.011 0.000 1.214 152 T HN 0.438 nan 8.240 nan 0.000 0.533 153 V N 0.676 120.580 119.914 -0.016 0.000 2.904 153 V HA 0.673 4.798 4.120 0.008 0.000 0.305 153 V C 0.041 176.113 176.094 -0.037 0.000 1.067 153 V CA -0.279 62.007 62.300 -0.023 0.000 1.044 153 V CB 1.646 33.451 31.823 -0.031 0.000 1.050 153 V HN 1.140 nan 8.190 nan 0.000 0.475 154 S N 3.742 119.420 115.700 -0.037 0.000 2.498 154 S HA 0.772 5.247 4.470 0.008 0.000 0.317 154 S C -0.055 174.504 174.600 -0.069 0.000 1.090 154 S CA 0.512 58.680 58.200 -0.053 0.000 1.089 154 S CB 0.291 63.470 63.200 -0.035 0.000 0.997 154 S HN 2.325 nan 8.310 nan 0.000 0.470 155 G N 4.085 112.809 108.800 -0.126 0.000 2.587 155 G HA2 -0.116 3.849 3.960 0.008 0.000 0.212 155 G HA3 -0.116 3.849 3.960 0.008 0.000 0.212 155 G C -0.865 173.898 174.900 -0.228 0.000 1.327 155 G CA -0.720 44.276 45.100 -0.174 0.000 0.898 155 G HN 0.881 nan 8.290 nan 0.000 0.551 156 H N -1.036 117.937 119.070 -0.163 0.000 2.505 156 H HA 0.495 5.046 4.556 -0.009 0.000 0.355 156 H C -0.051 175.244 175.328 -0.055 0.000 1.179 156 H CA 0.119 56.043 56.048 -0.207 0.000 1.343 156 H CB 1.563 31.062 29.762 -0.438 0.000 1.501 156 H HN 0.385 nan 8.280 nan 0.000 0.569 157 V N 3.404 123.373 119.914 0.092 0.000 2.370 157 V HA -0.004 4.121 4.120 0.008 0.000 0.283 157 V C -0.081 176.103 176.094 0.150 0.000 1.023 157 V CA -0.691 61.663 62.300 0.090 0.000 0.857 157 V CB 0.508 32.340 31.823 0.015 0.000 0.985 157 V HN 0.604 nan 8.190 nan 0.000 0.443 158 Y N 5.603 125.954 120.300 0.085 0.000 2.788 158 Y HA -0.048 4.510 4.550 0.013 0.000 0.341 158 Y C 1.406 177.315 175.900 0.016 0.000 1.258 158 Y CA 1.316 59.473 58.100 0.094 0.000 1.503 158 Y CB 0.160 38.654 38.460 0.056 0.000 1.325 158 Y HN 0.901 nan 8.280 nan 0.000 0.614 159 N N 2.879 121.050 118.700 -0.881 0.000 2.681 159 N HA -0.372 4.373 4.740 0.008 0.000 0.250 159 N C -0.005 175.317 175.510 -0.313 0.000 1.133 159 N CA 1.560 54.148 53.050 -0.769 0.000 0.732 159 N CB -1.506 36.418 38.487 -0.937 0.000 1.107 159 N HN 0.828 nan 8.380 nan 0.000 0.559 160 N N -0.983 117.625 118.700 -0.154 0.000 2.725 160 N HA -0.280 4.465 4.740 0.008 0.000 0.249 160 N C -0.606 174.864 175.510 -0.067 0.000 1.103 160 N CA 1.392 54.399 53.050 -0.071 0.000 0.707 160 N CB -0.883 37.571 38.487 -0.055 0.000 1.043 160 N HN 0.749 nan 8.380 nan 0.000 0.553 161 Q N 0.120 119.879 119.800 -0.067 0.000 2.352 161 Q HA 0.253 4.598 4.340 0.008 0.000 0.260 161 Q C -0.519 175.469 176.000 -0.020 0.000 0.976 161 Q CA -0.025 55.752 55.803 -0.043 0.000 0.881 161 Q CB 0.552 29.270 28.738 -0.034 0.000 1.235 161 Q HN 0.405 nan 8.270 nan 0.000 0.419 162 S N 3.063 118.768 115.700 0.008 0.000 2.564 162 S HA 0.260 4.735 4.470 0.008 0.000 0.278 162 S C 0.101 174.743 174.600 0.070 0.000 1.333 162 S CA -0.385 57.833 58.200 0.030 0.000 1.048 162 S CB 0.349 63.574 63.200 0.042 0.000 0.900 162 S HN 0.444 nan 8.310 nan 0.000 0.505 163 I N 3.044 123.660 120.570 0.077 0.000 2.499 163 I HA 0.299 4.474 4.170 0.008 0.000 0.296 163 I C 0.337 176.582 176.117 0.214 0.000 0.992 163 I CA -0.499 60.901 61.300 0.165 0.000 1.297 163 I CB 0.856 38.904 38.000 0.079 0.000 1.410 163 I HN 0.437 nan 8.210 nan 0.000 0.507 164 N N 5.490 124.400 118.700 0.350 0.000 2.524 164 N HA 0.297 5.042 4.740 0.008 0.000 0.261 164 N C 0.119 175.663 175.510 0.056 0.000 0.998 164 N CA -0.375 52.729 53.050 0.090 0.000 0.915 164 N CB 1.337 39.783 38.487 -0.069 0.000 1.187 164 N HN 0.579 nan 8.380 nan 0.000 0.507 165 L N 2.829 124.081 121.223 0.048 0.000 2.549 165 L HA 0.044 4.389 4.340 0.008 0.000 0.229 165 L C 1.394 178.271 176.870 0.012 0.000 1.158 165 L CA 0.717 55.581 54.840 0.039 0.000 0.842 165 L CB 0.029 42.106 42.059 0.030 0.000 0.952 165 L HN 0.512 nan 8.230 nan 0.000 0.452 166 L N -1.208 120.005 121.223 -0.017 0.000 2.607 166 L HA 0.137 4.482 4.340 0.008 0.000 0.228 166 L C 0.435 177.271 176.870 -0.056 0.000 1.123 166 L CA -0.056 54.767 54.840 -0.028 0.000 0.890 166 L CB 0.012 42.054 42.059 -0.027 0.000 1.103 166 L HN 0.094 nan 8.230 nan 0.000 0.468 167 D N 0.654 120.994 120.400 -0.100 0.000 2.359 167 D HA 0.024 4.669 4.640 0.008 0.000 0.230 167 D C 1.025 177.292 176.300 -0.056 0.000 1.118 167 D CA 0.035 53.935 54.000 -0.166 0.000 0.844 167 D CB 2.290 42.789 40.800 -0.501 0.000 1.059 167 D HN -0.146 nan 8.370 nan 0.000 0.493 168 V N 5.425 125.324 119.914 -0.025 0.000 2.380 168 V HA -0.252 3.873 4.120 0.008 0.000 0.251 168 V C 2.096 178.218 176.094 0.047 0.000 1.063 168 V CA 1.747 64.055 62.300 0.013 0.000 1.055 168 V CB -0.242 31.585 31.823 0.007 0.000 0.657 168 V HN 0.622 nan 8.190 nan 0.000 0.455 169 L N -1.016 120.242 121.223 0.058 0.000 2.072 169 L HA -0.107 4.238 4.340 0.008 0.000 0.205 169 L C 2.586 179.578 176.870 0.203 0.000 1.079 169 L CA 1.569 56.477 54.840 0.114 0.000 0.752 169 L CB -0.889 41.243 42.059 0.122 0.000 0.906 169 L HN 0.375 nan 8.230 nan 0.000 0.436 170 H N -0.102 118.981 119.070 0.023 0.000 2.321 170 H HA -0.124 4.438 4.556 0.010 0.000 0.300 170 H C 2.270 177.611 175.328 0.021 0.000 1.087 170 H CA 1.243 57.306 56.048 0.024 0.000 1.319 170 H CB -0.179 29.596 29.762 0.021 0.000 1.379 170 H HN 0.080 nan 8.280 nan 0.000 0.501 171 I N 0.702 121.366 120.570 0.157 0.000 2.208 171 I HA -0.264 3.911 4.170 0.008 0.000 0.245 171 I C 2.240 178.396 176.117 0.066 0.000 1.097 171 I CA 1.363 62.715 61.300 0.087 0.000 1.363 171 I CB -0.733 37.302 38.000 0.058 0.000 1.051 171 I HN 0.238 nan 8.210 nan 0.000 0.413 172 R N 0.154 120.695 120.500 0.068 0.000 2.090 172 R HA -0.049 4.296 4.340 0.008 0.000 0.228 172 R C 2.363 178.692 176.300 0.048 0.000 1.110 172 R CA 0.867 56.998 56.100 0.052 0.000 0.973 172 R CB -0.249 30.081 30.300 0.050 0.000 0.869 172 R HN 0.299 nan 8.270 nan 0.000 0.440 173 L N 0.471 121.726 121.223 0.053 0.000 2.093 173 L HA -0.150 4.195 4.340 0.008 0.000 0.208 173 L C 2.185 179.070 176.870 0.025 0.000 1.085 173 L CA 1.054 55.916 54.840 0.036 0.000 0.755 173 L CB -0.345 41.729 42.059 0.026 0.000 0.904 173 L HN 0.202 nan 8.230 nan 0.000 0.435 174 L N -1.177 120.062 121.223 0.028 0.000 2.109 174 L HA -0.143 4.202 4.340 0.008 0.000 0.207 174 L C 2.545 179.427 176.870 0.020 0.000 1.086 174 L CA 0.644 55.495 54.840 0.019 0.000 0.760 174 L CB -0.545 41.527 42.059 0.022 0.000 0.910 174 L HN 0.065 nan 8.230 nan 0.000 0.437 175 V N 0.588 120.519 119.914 0.028 0.000 2.392 175 V HA -0.231 3.894 4.120 0.008 0.000 0.249 175 V C 2.664 178.775 176.094 0.027 0.000 1.059 175 V CA 2.015 64.332 62.300 0.029 0.000 1.051 175 V CB -1.294 30.550 31.823 0.034 0.000 0.658 175 V HN 0.581 nan 8.190 nan 0.000 0.455 176 G N 0.200 109.016 108.800 0.027 0.000 2.422 176 G HA2 -0.293 3.672 3.960 0.008 0.000 0.218 176 G HA3 -0.293 3.672 3.960 0.008 0.000 0.218 176 G C 1.877 176.783 174.900 0.010 0.000 1.146 176 G CA 1.400 46.514 45.100 0.023 0.000 0.769 176 G HN 0.656 nan 8.290 nan 0.000 0.547 177 S N 0.186 115.891 115.700 0.009 0.000 2.383 177 S HA -0.142 4.333 4.470 0.008 0.000 0.227 177 S C 2.214 176.809 174.600 -0.008 0.000 1.026 177 S CA 1.618 59.819 58.200 0.000 0.000 0.981 177 S CB -0.393 62.807 63.200 0.000 0.000 0.818 177 S HN 0.527 nan 8.310 nan 0.000 0.472 178 Q N 0.448 120.249 119.800 0.001 0.000 2.079 178 Q HA 0.009 4.354 4.340 0.008 0.000 0.200 178 Q C 2.212 178.216 176.000 0.008 0.000 0.974 178 Q CA 1.472 57.278 55.803 0.005 0.000 0.840 178 Q CB -0.353 28.396 28.738 0.018 0.000 0.898 178 Q HN 0.510 nan 8.270 nan 0.000 0.430 179 I N 0.792 121.368 120.570 0.011 0.000 2.264 179 I HA -0.253 3.922 4.170 0.008 0.000 0.248 179 I C 2.297 178.351 176.117 -0.106 0.000 1.111 179 I CA 1.415 62.715 61.300 0.001 0.000 1.382 179 I CB -1.584 36.424 38.000 0.013 0.000 1.060 179 I HN 0.143 nan 8.210 nan 0.000 0.418 180 A N 0.952 123.719 122.820 -0.089 0.000 1.898 180 A HA -0.041 4.284 4.320 0.008 0.000 0.216 180 A C 2.581 180.096 177.584 -0.115 0.000 1.181 180 A CA 1.815 53.779 52.037 -0.121 0.000 0.620 180 A CB -0.701 18.259 19.000 -0.067 0.000 0.819 180 A HN 0.412 nan 8.150 nan 0.000 0.442 181 A N -0.155 122.626 122.820 -0.065 0.000 1.930 181 A HA -0.135 4.190 4.320 0.008 0.000 0.217 181 A C 1.883 179.447 177.584 -0.033 0.000 1.175 181 A CA 1.608 53.618 52.037 -0.045 0.000 0.627 181 A CB -0.450 18.534 19.000 -0.027 0.000 0.815 181 A HN 0.633 nan 8.150 nan 0.000 0.443 182 E N -0.598 119.589 120.200 -0.022 0.000 2.106 182 E HA -0.123 4.232 4.350 0.008 0.000 0.192 182 E C 2.027 178.613 176.600 -0.024 0.000 0.984 182 E CA 1.302 57.736 56.400 0.058 0.000 0.806 182 E CB -0.253 29.567 29.700 0.199 0.000 0.750 182 E HN 0.655 nan 8.360 nan 0.000 0.458 183 M N 0.118 119.502 119.600 -0.360 0.000 2.175 183 M HA -0.117 4.368 4.480 0.008 0.000 0.264 183 M C 2.168 178.362 176.300 -0.176 0.000 1.063 183 M CA 1.404 56.359 55.300 -0.575 0.000 1.119 183 M CB -0.065 32.093 32.600 -0.737 0.000 1.377 183 M HN -0.016 nan 8.290 nan 0.000 0.415 184 R N -0.369 120.065 120.500 -0.110 0.000 2.119 184 R HA -0.039 4.306 4.340 0.008 0.000 0.222 184 R C 2.073 178.400 176.300 0.045 0.000 1.088 184 R CA 0.598 56.675 56.100 -0.038 0.000 0.984 184 R CB -0.190 30.082 30.300 -0.047 0.000 0.884 184 R HN 0.297 nan 8.270 nan 0.000 0.447 185 E N 1.182 121.411 120.200 0.050 0.000 2.085 185 E HA -0.160 4.195 4.350 0.008 0.000 0.194 185 E C 1.933 178.626 176.600 0.155 0.000 0.994 185 E CA 1.539 58.006 56.400 0.112 0.000 0.801 185 E CB -0.123 29.632 29.700 0.091 0.000 0.743 185 E HN 0.290 nan 8.360 nan 0.000 0.453 186 A N 0.620 123.531 122.820 0.152 0.000 1.902 186 A HA -0.155 4.170 4.320 0.008 0.000 0.217 186 A C 2.327 179.990 177.584 0.132 0.000 1.181 186 A CA 1.671 53.813 52.037 0.174 0.000 0.623 186 A CB -0.515 18.677 19.000 0.320 0.000 0.818 186 A HN 0.212 nan 8.150 nan 0.000 0.443 187 M N -2.363 117.305 119.600 0.113 0.000 2.149 187 M HA -0.154 4.331 4.480 0.008 0.000 0.261 187 M C 2.212 178.581 176.300 0.114 0.000 1.064 187 M CA 1.851 57.208 55.300 0.095 0.000 1.102 187 M CB -0.371 32.270 32.600 0.069 0.000 1.369 187 M HN 0.635 nan 8.290 nan 0.000 0.408 188 Y N 1.271 121.591 120.300 0.032 0.000 2.153 188 Y HA -0.178 4.380 4.550 0.014 0.000 0.289 188 Y C 2.174 178.096 175.900 0.036 0.000 1.127 188 Y CA 1.629 59.748 58.100 0.032 0.000 1.131 188 Y CB -0.365 38.107 38.460 0.020 0.000 0.995 188 Y HN 0.232 nan 8.280 nan 0.000 0.505 189 N N 0.125 118.822 118.700 -0.005 0.000 2.166 189 N HA -0.161 4.584 4.740 0.008 0.000 0.186 189 N C 1.672 177.129 175.510 -0.088 0.000 1.019 189 N CA 1.729 54.737 53.050 -0.069 0.000 0.856 189 N CB -0.327 38.186 38.487 0.042 0.000 0.993 189 N HN 0.589 nan 8.380 nan 0.000 0.426 190 Q N -0.438 119.344 119.800 -0.029 0.000 2.250 190 Q HA 0.206 4.551 4.340 0.008 0.000 0.200 190 Q C 1.348 177.331 176.000 -0.029 0.000 0.941 190 Q CA 0.584 56.378 55.803 -0.014 0.000 0.872 190 Q CB 0.572 29.327 28.738 0.029 0.000 0.965 190 Q HN 0.305 nan 8.270 nan 0.000 0.480 191 L N -2.220 118.981 121.223 -0.035 0.000 2.993 191 L HA 0.342 4.687 4.340 0.008 0.000 0.264 191 L C 0.849 177.695 176.870 -0.041 0.000 1.154 191 L CA 0.320 55.155 54.840 -0.009 0.000 0.972 191 L CB 1.051 43.137 42.059 0.044 0.000 1.373 191 L HN 0.317 nan 8.230 nan 0.000 0.564 192 G N 1.339 110.050 108.800 -0.149 0.000 2.141 192 G HA2 -0.245 3.720 3.960 0.008 0.000 0.242 192 G HA3 -0.245 3.720 3.960 0.008 0.000 0.242 192 G C -0.054 174.845 174.900 -0.001 0.000 0.982 192 G CA -0.125 44.838 45.100 -0.229 0.000 0.662 192 G HN 0.171 nan 8.290 nan 0.000 0.527 193 L N 1.739 123.030 121.223 0.114 0.000 2.307 193 L HA 0.650 4.995 4.340 0.008 0.000 0.284 193 L C 1.040 178.083 176.870 0.289 0.000 1.023 193 L CA -0.381 54.586 54.840 0.212 0.000 0.810 193 L CB 1.871 44.040 42.059 0.184 0.000 1.231 193 L HN 0.335 nan 8.230 nan 0.000 0.423 194 T N -0.411 114.290 114.554 0.245 0.000 2.934 194 T HA 0.881 5.236 4.350 0.008 0.000 0.283 194 T C 0.066 174.811 174.700 0.076 0.000 1.005 194 T CA -0.441 61.737 62.100 0.130 0.000 1.041 194 T CB 2.176 71.067 68.868 0.038 0.000 1.042 194 T HN 0.791 nan 8.240 nan 0.000 0.505 195 G N -0.869 107.941 108.800 0.017 0.000 2.548 195 G HA2 0.513 4.478 3.960 0.008 0.000 0.301 195 G HA3 0.513 4.478 3.960 0.008 0.000 0.301 195 G C -1.369 173.509 174.900 -0.038 0.000 1.349 195 G CA -0.729 44.364 45.100 -0.012 0.000 0.792 195 G HN 0.999 nan 8.290 nan 0.000 0.481 196 C N -0.343 118.926 119.300 -0.051 0.000 2.399 196 C HA 0.987 5.452 4.460 0.008 0.000 0.348 196 C C 0.704 175.649 174.990 -0.075 0.000 1.183 196 C CA 0.231 59.227 59.018 -0.036 0.000 2.023 196 C CB 0.861 28.599 27.740 -0.004 0.000 2.361 196 C HN 1.200 nan 8.230 nan 0.000 0.521 197 A N 0.687 123.484 122.820 -0.038 0.000 2.498 197 A HA 0.919 5.243 4.320 0.008 0.000 0.298 197 A C -0.513 177.080 177.584 0.016 0.000 1.075 197 A CA -0.247 51.756 52.037 -0.056 0.000 0.714 197 A CB 1.328 20.286 19.000 -0.070 0.000 1.299 197 A HN 1.289 nan 8.150 nan 0.000 0.407 198 G N -0.142 108.683 108.800 0.042 0.000 2.590 198 G HA2 0.575 4.540 3.960 0.008 0.000 0.310 198 G HA3 0.575 4.540 3.960 0.008 0.000 0.310 198 G C -1.452 173.488 174.900 0.068 0.000 1.347 198 G CA -0.398 44.747 45.100 0.074 0.000 0.963 198 G HN 0.903 nan 8.290 nan 0.000 0.494 199 V N 1.152 121.099 119.914 0.055 0.000 2.448 199 V HA 0.884 5.009 4.120 0.008 0.000 0.295 199 V C 0.326 176.445 176.094 0.043 0.000 1.025 199 V CA -0.007 62.322 62.300 0.048 0.000 0.859 199 V CB 0.869 32.712 31.823 0.034 0.000 0.988 199 V HN 1.290 nan 8.190 nan 0.000 0.431 200 A N 3.259 126.107 122.820 0.047 0.000 2.515 200 A HA 0.712 5.037 4.320 0.008 0.000 0.299 200 A C 0.509 178.115 177.584 0.037 0.000 1.179 200 A CA 0.248 52.305 52.037 0.033 0.000 0.656 200 A CB 1.191 20.202 19.000 0.018 0.000 1.306 200 A HN 1.057 nan 8.150 nan 0.000 0.459 201 S N -0.284 115.433 115.700 0.029 0.000 2.575 201 S HA 0.161 4.636 4.470 0.008 0.000 0.215 201 S C 0.397 175.008 174.600 0.018 0.000 0.966 201 S CA 0.545 58.762 58.200 0.028 0.000 0.911 201 S CB -0.851 62.367 63.200 0.029 0.000 0.780 201 S HN 1.038 nan 8.310 nan 0.000 0.514 202 N N -0.281 118.426 118.700 0.013 0.000 3.243 202 N HA 0.301 5.046 4.740 0.008 0.000 0.280 202 N C -0.272 175.234 175.510 -0.005 0.000 1.545 202 N CA -0.962 52.083 53.050 -0.008 0.000 0.854 202 N CB 0.741 39.215 38.487 -0.021 0.000 1.612 202 N HN -0.171 nan 8.380 nan 0.000 0.577 203 K N -0.060 120.297 120.400 -0.073 0.000 2.076 203 K HA 0.084 4.409 4.320 0.008 0.000 0.204 203 K C 1.900 178.503 176.600 0.005 0.000 1.051 203 K CA 0.527 56.750 56.287 -0.106 0.000 0.949 203 K CB -0.235 31.935 32.500 -0.550 0.000 0.726 203 K HN 0.394 nan 8.250 nan 0.000 0.443 204 L N 1.093 122.286 121.223 -0.051 0.000 1.990 204 L HA -0.235 4.110 4.340 0.008 0.000 0.213 204 L C 2.020 178.870 176.870 -0.034 0.000 1.072 204 L CA 1.415 56.232 54.840 -0.039 0.000 0.755 204 L CB -0.140 41.892 42.059 -0.045 0.000 0.889 204 L HN 0.163 nan 8.230 nan 0.000 0.432 205 L N -0.093 121.113 121.223 -0.028 0.000 2.109 205 L HA -0.039 4.306 4.340 0.008 0.000 0.207 205 L C 2.858 179.707 176.870 -0.035 0.000 1.086 205 L CA 1.834 56.646 54.840 -0.047 0.000 0.760 205 L CB -1.655 40.384 42.059 -0.033 0.000 0.910 205 L HN 0.262 nan 8.230 nan 0.000 0.437 206 A N -0.621 122.215 122.820 0.026 0.000 1.972 206 A HA -0.250 4.075 4.320 0.008 0.000 0.219 206 A C 2.432 180.023 177.584 0.012 0.000 1.169 206 A CA 1.942 54.020 52.037 0.068 0.000 0.635 206 A CB -0.412 18.699 19.000 0.184 0.000 0.810 206 A HN 0.415 nan 8.150 nan 0.000 0.446 207 K N -0.453 119.894 120.400 -0.089 0.000 2.243 207 K HA 0.138 4.463 4.320 0.008 0.000 0.201 207 K C 1.702 178.183 176.600 -0.199 0.000 1.051 207 K CA 0.540 56.561 56.287 -0.443 0.000 0.970 207 K CB -0.198 31.972 32.500 -0.550 0.000 0.755 207 K HN 0.449 nan 8.250 nan 0.000 0.465 208 L N 0.441 121.590 121.223 -0.123 0.000 2.109 208 L HA -0.089 4.256 4.340 0.008 0.000 0.207 208 L C 2.281 179.088 176.870 -0.104 0.000 1.086 208 L CA 0.581 55.356 54.840 -0.109 0.000 0.760 208 L CB -0.163 41.823 42.059 -0.122 0.000 0.910 208 L HN 0.069 nan 8.230 nan 0.000 0.437 209 V N -0.529 119.325 119.914 -0.101 0.000 3.129 209 V HA -0.136 3.989 4.120 0.008 0.000 0.259 209 V C 2.474 178.578 176.094 0.015 0.000 1.116 209 V CA 1.429 63.673 62.300 -0.093 0.000 1.127 209 V CB 0.128 31.883 31.823 -0.113 0.000 0.742 209 V HN 0.607 nan 8.190 nan 0.000 0.474 210 S N -0.081 115.650 115.700 0.051 0.000 2.447 210 S HA -0.026 4.449 4.470 0.008 0.000 0.233 210 S C 1.837 176.480 174.600 0.072 0.000 1.006 210 S CA 1.092 59.351 58.200 0.099 0.000 0.957 210 S CB -0.421 62.917 63.200 0.230 0.000 0.773 210 S HN 0.603 nan 8.310 nan 0.000 0.507 211 G N 0.624 109.447 108.800 0.038 0.000 2.985 211 G HA2 0.208 4.173 3.960 0.008 0.000 0.209 211 G HA3 0.208 4.173 3.960 0.008 0.000 0.209 211 G C 1.099 175.981 174.900 -0.030 0.000 1.165 211 G CA 0.293 45.401 45.100 0.014 0.000 0.776 211 G HN 0.438 nan 8.290 nan 0.000 0.541 212 V N -0.015 119.878 119.914 -0.035 0.000 2.427 212 V HA 0.094 4.219 4.120 0.008 0.000 0.248 212 V C 0.552 176.355 176.094 -0.485 0.000 1.051 212 V CA 0.965 63.150 62.300 -0.192 0.000 1.048 212 V CB -0.450 31.342 31.823 -0.052 0.000 0.666 212 V HN 0.267 nan 8.190 nan 0.000 0.456 213 F N 0.185 120.074 119.950 -0.100 0.000 2.325 213 F HA 0.443 4.971 4.527 0.002 0.000 0.369 213 F C 1.140 176.887 175.800 -0.088 0.000 1.095 213 F CA -0.639 57.260 58.000 -0.169 0.000 1.082 213 F CB 1.150 39.900 39.000 -0.416 0.000 1.289 213 F HN -0.237 nan 8.300 nan 0.000 0.462 214 K N 2.947 123.379 120.400 0.054 0.000 2.005 214 K HA 0.054 4.379 4.320 0.008 0.000 0.206 214 K C -0.790 175.804 176.600 -0.010 0.000 1.044 214 K CA 1.161 57.469 56.287 0.036 0.000 0.942 214 K CB -0.956 31.593 32.500 0.083 0.000 0.727 214 K HN 0.363 nan 8.250 nan 0.000 0.439 215 P HA -0.099 nan 4.420 nan 0.000 0.202 215 P C 0.116 177.299 177.300 -0.196 0.000 1.189 215 P CA 1.308 64.182 63.100 -0.377 0.000 0.921 215 P CB 0.106 31.489 31.700 -0.529 0.000 0.756 216 N N -0.722 117.904 118.700 -0.123 0.000 2.752 216 N HA 0.170 4.915 4.740 0.008 0.000 0.260 216 N C -1.036 174.447 175.510 -0.044 0.000 1.562 216 N CA -0.261 52.737 53.050 -0.087 0.000 0.788 216 N CB 0.212 38.628 38.487 -0.119 0.000 1.192 216 N HN 0.046 nan 8.380 nan 0.000 0.503 217 Q N -0.067 119.735 119.800 0.004 0.000 2.814 217 Q HA 0.454 4.799 4.340 0.008 0.000 0.322 217 Q C -1.525 174.522 176.000 0.079 0.000 0.888 217 Q CA -0.933 54.904 55.803 0.057 0.000 0.768 217 Q CB 2.325 31.152 28.738 0.148 0.000 1.443 217 Q HN 0.542 nan 8.270 nan 0.000 0.497 218 Q N -0.415 119.463 119.800 0.130 0.000 2.340 218 Q HA 0.740 5.085 4.340 0.008 0.000 0.276 218 Q C -1.541 174.568 176.000 0.181 0.000 1.048 218 Q CA -0.765 55.103 55.803 0.109 0.000 0.832 218 Q CB 2.430 31.189 28.738 0.035 0.000 1.373 218 Q HN 0.474 nan 8.270 nan 0.000 0.409 219 T N 1.146 115.803 114.554 0.172 0.000 2.900 219 T HA 0.567 4.922 4.350 0.008 0.000 0.295 219 T C -1.351 173.433 174.700 0.140 0.000 1.044 219 T CA -0.697 61.532 62.100 0.215 0.000 0.995 219 T CB 1.963 71.015 68.868 0.307 0.000 1.072 219 T HN 0.508 nan 8.240 nan 0.000 0.473 220 V N 3.330 123.322 119.914 0.130 0.000 2.680 220 V HA 0.781 4.906 4.120 0.008 0.000 0.309 220 V C -1.395 174.755 176.094 0.093 0.000 1.052 220 V CA -1.004 61.343 62.300 0.079 0.000 0.908 220 V CB 1.651 33.498 31.823 0.040 0.000 1.001 220 V HN 0.755 nan 8.190 nan 0.000 0.431 221 L N 7.255 128.511 121.223 0.054 0.000 2.280 221 L HA 0.603 4.948 4.340 0.008 0.000 0.287 221 L C -0.655 176.224 176.870 0.016 0.000 1.023 221 L CA 0.062 54.933 54.840 0.052 0.000 0.819 221 L CB 1.212 43.260 42.059 -0.019 0.000 1.212 221 L HN 0.639 nan 8.230 nan 0.000 0.420 222 L N 6.892 128.110 121.223 -0.007 0.000 2.399 222 L HA 0.398 4.743 4.340 0.008 0.000 0.266 222 L C -1.312 175.576 176.870 0.029 0.000 1.114 222 L CA -1.665 53.122 54.840 -0.088 0.000 0.804 222 L CB 0.492 42.353 42.059 -0.330 0.000 1.146 222 L HN 0.472 nan 8.230 nan 0.000 0.451 223 P HA -0.171 nan 4.420 nan 0.000 0.216 223 P C 0.804 178.170 177.300 0.110 0.000 1.150 223 P CA 1.077 64.236 63.100 0.098 0.000 0.843 223 P CB 0.248 32.019 31.700 0.118 0.000 0.787 224 E N -1.082 119.198 120.200 0.132 0.000 2.401 224 E HA -0.053 4.302 4.350 0.008 0.000 0.199 224 E C 1.382 178.058 176.600 0.127 0.000 1.023 224 E CA 0.911 57.386 56.400 0.125 0.000 0.859 224 E CB -0.719 29.059 29.700 0.129 0.000 0.780 224 E HN 0.172 nan 8.360 nan 0.000 0.523 225 S N -0.935 114.845 115.700 0.134 0.000 2.554 225 S HA 0.021 4.496 4.470 0.008 0.000 0.226 225 S C 1.514 176.241 174.600 0.211 0.000 0.980 225 S CA -0.239 58.078 58.200 0.195 0.000 0.939 225 S CB -0.042 63.306 63.200 0.246 0.000 0.832 225 S HN 0.516 nan 8.310 nan 0.000 0.486 226 C N 2.064 121.443 119.300 0.131 0.000 2.413 226 C HA -0.118 4.347 4.460 0.008 0.000 0.276 226 C C 2.624 177.668 174.990 0.091 0.000 1.236 226 C CA 1.172 60.237 59.018 0.078 0.000 1.735 226 C CB -0.851 26.926 27.740 0.063 0.000 2.031 226 C HN 0.443 nan 8.230 nan 0.000 0.474 227 Q N -0.155 119.730 119.800 0.143 0.000 2.124 227 Q HA -0.155 4.190 4.340 0.008 0.000 0.202 227 Q C 2.140 178.281 176.000 0.235 0.000 0.977 227 Q CA 1.727 57.627 55.803 0.162 0.000 0.850 227 Q CB -1.013 27.869 28.738 0.239 0.000 0.901 227 Q HN 0.828 nan 8.270 nan 0.000 0.429 228 H N 0.743 119.926 119.070 0.188 0.000 2.319 228 H HA -0.088 4.473 4.556 0.009 0.000 0.299 228 H C 2.017 177.477 175.328 0.219 0.000 1.092 228 H CA 1.264 57.447 56.048 0.225 0.000 1.302 228 H CB -0.167 29.742 29.762 0.245 0.000 1.373 228 H HN 0.198 nan 8.280 nan 0.000 0.497 229 L N 0.040 121.461 121.223 0.329 0.000 2.027 229 L HA -0.150 4.195 4.340 0.008 0.000 0.206 229 L C 2.646 179.493 176.870 -0.039 0.000 1.074 229 L CA 1.209 56.068 54.840 0.032 0.000 0.745 229 L CB -0.343 41.502 42.059 -0.357 0.000 0.898 229 L HN 0.215 nan 8.230 nan 0.000 0.433 230 I N -0.635 119.885 120.570 -0.083 0.000 2.315 230 I HA -0.285 3.889 4.170 0.008 0.000 0.248 230 I C 2.350 178.320 176.117 -0.245 0.000 1.117 230 I CA 1.410 62.596 61.300 -0.190 0.000 1.404 230 I CB -0.342 37.502 38.000 -0.260 0.000 1.071 230 I HN 0.280 nan 8.210 nan 0.000 0.419 231 H N -0.611 118.419 119.070 -0.066 0.000 2.551 231 H HA 0.120 4.680 4.556 0.007 0.000 0.266 231 H C 2.363 177.624 175.328 -0.111 0.000 0.977 231 H CA 1.015 57.004 56.048 -0.099 0.000 1.163 231 H CB -0.096 29.602 29.762 -0.107 0.000 1.381 231 H HN 0.434 nan 8.280 nan 0.000 0.581 232 S N 0.355 116.053 115.700 -0.004 0.000 2.481 232 S HA -0.011 4.464 4.470 0.008 0.000 0.231 232 S C 1.100 175.692 174.600 -0.012 0.000 0.996 232 S CA -0.062 58.127 58.200 -0.018 0.000 0.942 232 S CB -0.478 62.755 63.200 0.056 0.000 0.768 232 S HN 0.146 nan 8.310 nan 0.000 0.520 233 L N 2.358 123.565 121.223 -0.027 0.000 2.456 233 L HA 0.214 4.559 4.340 0.008 0.000 0.272 233 L C 1.129 177.990 176.870 -0.016 0.000 1.189 233 L CA -0.381 54.442 54.840 -0.029 0.000 0.846 233 L CB 0.091 42.118 42.059 -0.052 0.000 1.111 233 L HN 0.201 nan 8.230 nan 0.000 0.475 234 N N -0.001 118.703 118.700 0.006 0.000 2.254 234 N HA 0.047 4.792 4.740 0.008 0.000 0.190 234 N C -0.198 175.355 175.510 0.071 0.000 1.107 234 N CA 0.366 53.430 53.050 0.023 0.000 0.869 234 N CB 0.504 39.008 38.487 0.029 0.000 0.983 234 N HN 0.524 nan 8.380 nan 0.000 0.487 235 H N 0.013 119.064 119.070 -0.032 0.000 3.079 235 H HA 0.142 4.703 4.556 0.008 0.000 0.356 235 H C 0.916 176.219 175.328 -0.042 0.000 1.221 235 H CA -0.452 55.576 56.048 -0.034 0.000 1.185 235 H CB 1.749 31.495 29.762 -0.026 0.000 1.882 235 H HN -0.151 nan 8.280 nan 0.000 0.543 236 I N -0.064 120.469 120.570 -0.061 0.000 2.700 236 I HA -0.110 4.065 4.170 0.008 0.000 0.261 236 I C 2.009 178.182 176.117 0.093 0.000 1.219 236 I CA 0.784 62.074 61.300 -0.018 0.000 1.463 236 I CB -0.197 37.739 38.000 -0.108 0.000 1.092 236 I HN 0.117 nan 8.210 nan 0.000 0.452 237 K N 2.024 122.562 120.400 0.231 0.000 2.360 237 K HA -0.163 4.162 4.320 0.008 0.000 0.201 237 K C 1.511 178.140 176.600 0.049 0.000 1.046 237 K CA 1.371 57.722 56.287 0.106 0.000 0.940 237 K CB -0.061 32.476 32.500 0.061 0.000 0.748 237 K HN 0.588 nan 8.250 nan 0.000 0.465 238 E N -0.154 120.074 120.200 0.046 0.000 2.435 238 E HA 0.043 4.398 4.350 0.008 0.000 0.195 238 E C 0.125 176.716 176.600 -0.016 0.000 1.029 238 E CA -0.063 56.341 56.400 0.007 0.000 0.865 238 E CB 0.234 29.935 29.700 0.001 0.000 0.833 238 E HN 0.212 nan 8.360 nan 0.000 0.510 239 I N 3.079 123.639 120.570 -0.018 0.000 2.436 239 I HA 0.069 4.244 4.170 0.008 0.000 0.289 239 I C -2.224 173.879 176.117 -0.023 0.000 1.083 239 I CA -2.259 59.020 61.300 -0.035 0.000 1.372 239 I CB 0.587 38.559 38.000 -0.047 0.000 1.408 239 I HN -0.274 nan 8.210 nan 0.000 0.516 240 P HA 0.029 nan 4.420 nan 0.000 0.260 240 P C 0.780 178.072 177.300 -0.015 0.000 1.185 240 P CA 0.713 63.803 63.100 -0.016 0.000 0.763 240 P CB 0.579 32.269 31.700 -0.016 0.000 0.776 241 G N 3.086 111.882 108.800 -0.006 0.000 2.278 241 G HA2 -0.181 3.784 3.960 0.008 0.000 0.210 241 G HA3 -0.181 3.784 3.960 0.008 0.000 0.210 241 G C 0.014 174.911 174.900 -0.005 0.000 1.000 241 G CA -0.492 44.603 45.100 -0.008 0.000 0.635 241 G HN 0.482 nan 8.290 nan 0.000 0.495 242 I N 2.482 123.051 120.570 -0.003 0.000 2.307 242 I HA 0.569 4.744 4.170 0.008 0.000 0.289 242 I C 1.101 177.229 176.117 0.018 0.000 1.021 242 I CA -0.202 61.099 61.300 0.001 0.000 1.224 242 I CB 1.320 39.318 38.000 -0.004 0.000 1.376 242 I HN 0.202 nan 8.210 nan 0.000 0.470 243 G N 3.339 112.152 108.800 0.022 0.000 2.642 243 G HA2 0.103 4.068 3.960 0.008 0.000 0.291 243 G HA3 0.103 4.068 3.960 0.008 0.000 0.291 243 G C 0.302 175.259 174.900 0.094 0.000 1.345 243 G CA -0.226 44.905 45.100 0.052 0.000 1.043 243 G HN 0.550 nan 8.290 nan 0.000 0.528 244 Y N 0.697 120.980 120.300 -0.028 0.000 2.096 244 Y HA -0.272 4.283 4.550 0.008 0.000 0.278 244 Y C 2.973 178.855 175.900 -0.030 0.000 1.192 244 Y CA 3.162 61.242 58.100 -0.033 0.000 1.143 244 Y CB -0.612 37.828 38.460 -0.033 0.000 0.963 244 Y HN 0.559 nan 8.280 nan 0.000 0.505 245 K N -0.335 119.978 120.400 -0.146 0.000 1.975 245 K HA -0.112 4.213 4.320 0.008 0.000 0.210 245 K C 2.156 178.663 176.600 -0.154 0.000 1.041 245 K CA 2.374 58.520 56.287 -0.236 0.000 0.942 245 K CB -1.977 30.438 32.500 -0.142 0.000 0.729 245 K HN 0.558 nan 8.250 nan 0.000 0.439 246 T N -0.619 113.887 114.554 -0.080 0.000 2.721 246 T HA -0.120 4.235 4.350 0.008 0.000 0.268 246 T C 2.238 176.903 174.700 -0.059 0.000 1.038 246 T CA 2.029 64.091 62.100 -0.064 0.000 1.145 246 T CB -0.806 68.037 68.868 -0.041 0.000 0.858 246 T HN 0.650 nan 8.240 nan 0.000 0.459 247 A N 2.412 125.212 122.820 -0.034 0.000 1.873 247 A HA -0.163 4.162 4.320 0.008 0.000 0.218 247 A C 2.435 180.001 177.584 -0.029 0.000 1.193 247 A CA 1.858 53.898 52.037 0.003 0.000 0.629 247 A CB -0.590 18.436 19.000 0.044 0.000 0.826 247 A HN 0.329 nan 8.150 nan 0.000 0.447 248 K N -0.156 120.184 120.400 -0.100 0.000 2.063 248 K HA -0.125 4.200 4.320 0.008 0.000 0.208 248 K C 2.042 178.584 176.600 -0.096 0.000 1.048 248 K CA 1.349 57.564 56.287 -0.120 0.000 0.928 248 K CB -1.519 30.844 32.500 -0.229 0.000 0.713 248 K HN 0.640 nan 8.250 nan 0.000 0.442 249 C N 0.622 119.859 119.300 -0.105 0.000 2.413 249 C HA -0.085 4.380 4.460 0.008 0.000 0.276 249 C C 2.757 177.691 174.990 -0.092 0.000 1.248 249 C CA 0.534 59.499 59.018 -0.089 0.000 1.742 249 C CB -1.007 26.683 27.740 -0.084 0.000 2.017 249 C HN 0.371 nan 8.230 nan 0.000 0.481 250 L N 0.016 121.182 121.223 -0.095 0.000 2.179 250 L HA -0.079 4.266 4.340 0.008 0.000 0.208 250 L C 2.675 179.462 176.870 -0.137 0.000 1.096 250 L CA 1.159 55.908 54.840 -0.151 0.000 0.779 250 L CB -0.537 41.441 42.059 -0.134 0.000 0.922 250 L HN 0.428 nan 8.230 nan 0.000 0.443 251 E N 0.185 120.353 120.200 -0.054 0.000 2.017 251 E HA -0.254 4.101 4.350 0.008 0.000 0.193 251 E C 2.225 178.806 176.600 -0.032 0.000 0.997 251 E CA 1.217 57.607 56.400 -0.017 0.000 0.804 251 E CB -0.158 29.549 29.700 0.013 0.000 0.757 251 E HN 0.469 nan 8.360 nan 0.000 0.448 252 A N 0.549 123.346 122.820 -0.038 0.000 2.093 252 A HA -0.182 4.143 4.320 0.008 0.000 0.222 252 A C 1.755 179.324 177.584 -0.025 0.000 1.162 252 A CA 1.235 53.255 52.037 -0.028 0.000 0.655 252 A CB -0.406 18.573 19.000 -0.035 0.000 0.805 252 A HN 0.158 nan 8.150 nan 0.000 0.461 253 L N -1.200 119.986 121.223 -0.062 0.000 2.791 253 L HA 0.357 4.702 4.340 0.008 0.000 0.239 253 L C 1.568 178.414 176.870 -0.041 0.000 1.203 253 L CA 0.730 55.534 54.840 -0.060 0.000 1.002 253 L CB -0.077 41.867 42.059 -0.191 0.000 1.295 253 L HN 0.445 nan 8.230 nan 0.000 0.504 254 G N 0.414 109.203 108.800 -0.019 0.000 2.175 254 G HA2 -0.324 3.641 3.960 0.008 0.000 0.265 254 G HA3 -0.324 3.641 3.960 0.008 0.000 0.265 254 G C 0.393 175.277 174.900 -0.026 0.000 0.979 254 G CA 0.207 45.315 45.100 0.013 0.000 0.663 254 G HN 0.374 nan 8.290 nan 0.000 0.533 255 I N 1.407 121.893 120.570 -0.140 0.000 2.269 255 I HA 0.237 4.412 4.170 0.008 0.000 0.293 255 I C 0.976 176.994 176.117 -0.164 0.000 1.106 255 I CA -0.509 60.675 61.300 -0.194 0.000 1.248 255 I CB 0.527 38.294 38.000 -0.389 0.000 1.444 255 I HN 0.047 nan 8.210 nan 0.000 0.497 256 N N 2.719 121.320 118.700 -0.165 0.000 2.564 256 N HA 0.037 4.782 4.740 0.008 0.000 0.202 256 N C 0.706 175.905 175.510 -0.518 0.000 1.052 256 N CA 0.314 53.192 53.050 -0.286 0.000 0.872 256 N CB 0.494 38.927 38.487 -0.090 0.000 1.303 256 N HN 0.580 nan 8.380 nan 0.000 0.440 257 S N -0.189 115.349 115.700 -0.271 0.000 2.713 257 S HA 0.365 4.840 4.470 0.008 0.000 0.283 257 S C 1.512 175.999 174.600 -0.188 0.000 1.161 257 S CA -0.717 57.354 58.200 -0.215 0.000 0.999 257 S CB 1.672 64.815 63.200 -0.095 0.000 1.039 257 S HN -0.147 nan 8.310 nan 0.000 0.548 258 V N 1.199 121.029 119.914 -0.140 0.000 2.515 258 V HA -0.103 4.022 4.120 0.008 0.000 0.250 258 V C 2.865 178.879 176.094 -0.134 0.000 1.058 258 V CA 2.119 64.320 62.300 -0.165 0.000 1.064 258 V CB -1.054 30.645 31.823 -0.207 0.000 0.675 258 V HN 0.920 nan 8.190 nan 0.000 0.461 259 R N 0.031 120.536 120.500 0.010 0.000 2.075 259 R HA -0.168 4.177 4.340 0.008 0.000 0.232 259 R C 2.093 178.377 176.300 -0.027 0.000 1.126 259 R CA 1.841 57.968 56.100 0.044 0.000 0.963 259 R CB -0.318 30.020 30.300 0.064 0.000 0.858 259 R HN 0.494 nan 8.270 nan 0.000 0.435 260 D N 0.783 121.165 120.400 -0.029 0.000 2.116 260 D HA -0.212 4.433 4.640 0.008 0.000 0.193 260 D C 1.811 178.126 176.300 0.024 0.000 0.998 260 D CA 1.102 55.111 54.000 0.014 0.000 0.836 260 D CB -0.258 40.527 40.800 -0.025 0.000 0.951 260 D HN 0.191 nan 8.370 nan 0.000 0.449 261 L N 0.901 122.079 121.223 -0.075 0.000 2.131 261 L HA -0.149 4.196 4.340 0.008 0.000 0.210 261 L C 2.022 178.858 176.870 -0.055 0.000 1.092 261 L CA 1.601 56.392 54.840 -0.081 0.000 0.759 261 L CB -0.495 41.478 42.059 -0.142 0.000 0.903 261 L HN -0.001 nan 8.230 nan 0.000 0.435 262 Q N -1.067 118.626 119.800 -0.178 0.000 2.096 262 Q HA -0.104 4.241 4.340 0.008 0.000 0.197 262 Q C 1.803 177.808 176.000 0.008 0.000 0.964 262 Q CA 1.887 57.459 55.803 -0.385 0.000 0.838 262 Q CB -0.159 28.105 28.738 -0.790 0.000 0.906 262 Q HN 0.712 nan 8.270 nan 0.000 0.444 263 T N -1.998 112.586 114.554 0.050 0.000 3.100 263 T HA 0.046 4.401 4.350 0.008 0.000 0.253 263 T C 0.380 175.161 174.700 0.135 0.000 1.118 263 T CA -0.287 61.879 62.100 0.109 0.000 1.058 263 T CB -0.170 68.740 68.868 0.070 0.000 0.953 263 T HN 0.001 nan 8.240 nan 0.000 0.515 264 F N 2.973 122.931 119.950 0.013 0.000 2.444 264 F HA 0.438 4.970 4.527 0.008 0.000 0.331 264 F C 0.918 176.736 175.800 0.030 0.000 1.167 264 F CA -0.763 57.243 58.000 0.011 0.000 1.262 264 F CB 0.883 39.880 39.000 -0.004 0.000 1.196 264 F HN 0.061 nan 8.300 nan 0.000 0.583 265 S N 5.123 120.578 115.700 -0.408 0.000 2.515 265 S HA 0.132 4.607 4.470 0.008 0.000 0.285 265 S C -1.645 172.981 174.600 0.044 0.000 1.265 265 S CA -1.095 56.992 58.200 -0.189 0.000 1.079 265 S CB 0.662 63.685 63.200 -0.294 0.000 0.877 265 S HN 0.453 nan 8.310 nan 0.000 0.493 266 P HA -0.140 nan 4.420 nan 0.000 0.215 266 P C 1.271 178.616 177.300 0.076 0.000 1.157 266 P CA 1.343 64.497 63.100 0.089 0.000 0.874 266 P CB 0.106 31.842 31.700 0.060 0.000 0.790 267 K N -0.429 119.995 120.400 0.039 0.000 2.026 267 K HA -0.093 4.232 4.320 0.008 0.000 0.208 267 K C 2.186 178.819 176.600 0.055 0.000 1.048 267 K CA 1.267 57.574 56.287 0.033 0.000 0.929 267 K CB -1.018 31.488 32.500 0.009 0.000 0.713 267 K HN 0.242 nan 8.250 nan 0.000 0.439 268 I N 1.003 121.613 120.570 0.066 0.000 2.163 268 I HA -0.291 3.884 4.170 0.008 0.000 0.243 268 I C 2.546 178.765 176.117 0.169 0.000 1.085 268 I CA 0.956 62.324 61.300 0.113 0.000 1.347 268 I CB -0.367 37.690 38.000 0.095 0.000 1.044 268 I HN 0.046 nan 8.210 nan 0.000 0.408 269 L N 0.934 122.294 121.223 0.229 0.000 1.994 269 L HA -0.211 4.133 4.340 0.008 0.000 0.208 269 L C 2.447 179.367 176.870 0.083 0.000 1.071 269 L CA 1.841 56.778 54.840 0.161 0.000 0.745 269 L CB -0.561 41.624 42.059 0.211 0.000 0.892 269 L HN 0.156 nan 8.230 nan 0.000 0.431 270 E N -0.135 120.111 120.200 0.076 0.000 2.048 270 E HA -0.287 4.068 4.350 0.008 0.000 0.202 270 E C 1.436 178.058 176.600 0.038 0.000 1.021 270 E CA 2.076 58.504 56.400 0.047 0.000 0.825 270 E CB -0.214 29.509 29.700 0.039 0.000 0.756 270 E HN 0.427 nan 8.360 nan 0.000 0.454 271 K N 0.999 121.425 120.400 0.042 0.000 3.277 271 K HA 0.060 4.385 4.320 0.008 0.000 0.280 271 K C 0.660 177.281 176.600 0.035 0.000 1.182 271 K CA 0.902 57.208 56.287 0.033 0.000 1.219 271 K CB -0.126 32.391 32.500 0.029 0.000 1.373 271 K HN 0.272 nan 8.250 nan 0.000 0.392 272 E N -1.211 119.008 120.200 0.031 0.000 2.566 272 E HA 0.254 4.609 4.350 0.008 0.000 0.193 272 E C 0.602 177.205 176.600 0.005 0.000 0.945 272 E CA 0.163 56.577 56.400 0.023 0.000 1.449 272 E CB 0.487 30.211 29.700 0.040 0.000 1.654 272 E HN 0.312 nan 8.360 nan 0.000 0.844 273 L N -0.289 120.937 121.223 0.005 0.000 3.515 273 L HA 0.520 4.865 4.340 0.008 0.000 0.322 273 L C 0.373 177.243 176.870 -0.000 0.000 1.225 273 L CA 0.070 54.907 54.840 -0.005 0.000 1.104 273 L CB 1.695 43.747 42.059 -0.011 0.000 1.506 273 L HN 0.225 nan 8.230 nan 0.000 0.624 274 G N 0.607 109.411 108.800 0.006 0.000 2.650 274 G HA2 -0.190 3.775 3.960 0.008 0.000 0.686 274 G HA3 -0.190 3.775 3.960 0.008 0.000 0.686 274 G C 0.127 175.034 174.900 0.011 0.000 1.205 274 G CA -0.177 44.927 45.100 0.006 0.000 0.781 274 G HN 0.020 nan 8.290 nan 0.000 0.648 275 I N 0.627 121.203 120.570 0.011 0.000 2.315 275 I HA -0.145 4.030 4.170 0.008 0.000 0.251 275 I C 2.609 178.732 176.117 0.011 0.000 1.125 275 I CA 2.782 64.090 61.300 0.013 0.000 1.392 275 I CB -0.037 37.969 38.000 0.010 0.000 1.065 275 I HN 0.763 nan 8.210 nan 0.000 0.424 276 S N -0.293 115.412 115.700 0.007 0.000 2.325 276 S HA -0.140 4.335 4.470 0.008 0.000 0.213 276 S C 1.986 176.589 174.600 0.005 0.000 1.031 276 S CA 1.671 59.874 58.200 0.004 0.000 0.984 276 S CB -0.534 62.667 63.200 0.001 0.000 0.939 276 S HN 0.298 nan 8.310 nan 0.000 0.438 277 V N 2.374 122.290 119.914 0.002 0.000 2.546 277 V HA -0.157 3.967 4.120 0.008 0.000 0.254 277 V C 2.683 178.779 176.094 0.003 0.000 1.076 277 V CA 1.876 64.175 62.300 -0.001 0.000 1.087 277 V CB -1.382 30.437 31.823 -0.007 0.000 0.674 277 V HN 0.639 nan 8.190 nan 0.000 0.470 278 A N -1.405 121.421 122.820 0.011 0.000 1.943 278 A HA -0.102 4.223 4.320 0.008 0.000 0.213 278 A C 2.190 179.794 177.584 0.033 0.000 1.181 278 A CA 1.067 53.118 52.037 0.022 0.000 0.653 278 A CB -0.254 18.765 19.000 0.033 0.000 0.833 278 A HN 0.509 nan 8.150 nan 0.000 0.451 279 Q N -0.782 119.035 119.800 0.029 0.000 2.331 279 Q HA -0.023 4.322 4.340 0.008 0.000 0.203 279 Q C 2.231 178.251 176.000 0.034 0.000 0.944 279 Q CA 0.755 56.578 55.803 0.035 0.000 0.892 279 Q CB 0.027 28.778 28.738 0.022 0.000 0.983 279 Q HN 0.670 nan 8.270 nan 0.000 0.482 280 R N 0.716 121.229 120.500 0.022 0.000 2.066 280 R HA -0.071 4.274 4.340 0.008 0.000 0.224 280 R C 2.318 178.631 176.300 0.022 0.000 1.122 280 R CA 1.214 57.324 56.100 0.017 0.000 0.974 280 R CB -0.310 29.992 30.300 0.003 0.000 0.871 280 R HN 0.394 nan 8.270 nan 0.000 0.435 281 I N -1.035 119.544 120.570 0.015 0.000 2.493 281 I HA -0.160 4.015 4.170 0.008 0.000 0.254 281 I C 2.331 178.461 176.117 0.021 0.000 1.160 281 I CA 1.331 62.634 61.300 0.005 0.000 1.445 281 I CB -0.406 37.585 38.000 -0.014 0.000 1.086 281 I HN 0.247 nan 8.210 nan 0.000 0.433 282 Q N 1.360 121.194 119.800 0.056 0.000 2.123 282 Q HA -0.150 4.195 4.340 0.008 0.000 0.199 282 Q C 2.089 178.220 176.000 0.218 0.000 0.966 282 Q CA 1.063 56.935 55.803 0.115 0.000 0.845 282 Q CB 0.127 28.956 28.738 0.152 0.000 0.907 282 Q HN 0.372 nan 8.270 nan 0.000 0.439 283 K N 0.581 121.079 120.400 0.164 0.000 2.032 283 K HA -0.150 4.175 4.320 0.008 0.000 0.209 283 K C 2.069 178.765 176.600 0.160 0.000 1.048 283 K CA 1.131 57.523 56.287 0.175 0.000 0.927 283 K CB -0.560 31.983 32.500 0.072 0.000 0.712 283 K HN 0.328 nan 8.250 nan 0.000 0.441 284 L N 1.497 122.762 121.223 0.071 0.000 2.131 284 L HA -0.171 4.174 4.340 0.008 0.000 0.210 284 L C 2.530 179.395 176.870 -0.008 0.000 1.092 284 L CA 1.463 56.316 54.840 0.021 0.000 0.759 284 L CB -0.663 41.390 42.059 -0.010 0.000 0.903 284 L HN 0.238 nan 8.230 nan 0.000 0.435 285 S N -0.417 115.262 115.700 -0.035 0.000 2.447 285 S HA -0.138 4.337 4.470 0.008 0.000 0.233 285 S C 1.625 176.037 174.600 -0.313 0.000 1.006 285 S CA 0.857 58.937 58.200 -0.200 0.000 0.957 285 S CB -0.543 62.499 63.200 -0.264 0.000 0.773 285 S HN 0.376 nan 8.310 nan 0.000 0.507 286 F N 1.725 121.635 119.950 -0.066 0.000 2.789 286 F HA 0.371 4.903 4.527 0.008 0.000 0.300 286 F C 2.033 177.792 175.800 -0.068 0.000 1.132 286 F CA 0.340 58.303 58.000 -0.062 0.000 1.404 286 F CB 0.045 39.029 39.000 -0.027 0.000 1.114 286 F HN 0.428 nan 8.300 nan 0.000 0.584 287 G N 0.591 109.431 108.800 0.067 0.000 2.157 287 G HA2 -0.272 3.693 3.960 0.008 0.000 0.248 287 G HA3 -0.272 3.693 3.960 0.008 0.000 0.248 287 G C -0.004 174.922 174.900 0.043 0.000 0.979 287 G CA -0.286 44.832 45.100 0.031 0.000 0.650 287 G HN 0.373 nan 8.290 nan 0.000 0.529 288 E N 0.391 120.633 120.200 0.071 0.000 2.166 288 E HA 0.567 4.922 4.350 0.008 0.000 0.275 288 E C -0.965 175.646 176.600 0.019 0.000 0.941 288 E CA -0.552 55.873 56.400 0.042 0.000 0.784 288 E CB 1.610 31.334 29.700 0.041 0.000 1.115 288 E HN 0.217 nan 8.360 nan 0.000 0.399 289 D N 2.322 122.720 120.400 -0.005 0.000 2.484 289 D HA 0.042 4.687 4.640 0.008 0.000 0.206 289 D C -0.737 175.543 176.300 -0.034 0.000 1.322 289 D CA -0.563 53.422 54.000 -0.024 0.000 0.913 289 D CB 0.371 41.147 40.800 -0.040 0.000 1.559 289 D HN 0.379 nan 8.370 nan 0.000 0.565 290 N N 1.362 120.043 118.700 -0.033 0.000 2.280 290 N HA 0.048 4.793 4.740 0.008 0.000 0.192 290 N C -0.162 175.319 175.510 -0.048 0.000 1.109 290 N CA -0.203 52.826 53.050 -0.034 0.000 0.855 290 N CB 0.157 38.629 38.487 -0.025 0.000 0.974 290 N HN 0.249 nan 8.380 nan 0.000 0.482 291 S N 0.937 116.598 115.700 -0.066 0.000 2.546 291 S HA 0.212 4.687 4.470 0.008 0.000 0.290 291 S C -2.112 172.432 174.600 -0.094 0.000 1.290 291 S CA -1.075 57.077 58.200 -0.080 0.000 1.069 291 S CB 0.360 63.499 63.200 -0.103 0.000 0.846 291 S HN 0.224 nan 8.310 nan 0.000 0.495 292 P HA 0.247 nan 4.420 nan 0.000 0.274 292 P C -0.625 176.621 177.300 -0.091 0.000 1.246 292 P CA -0.701 62.361 63.100 -0.063 0.000 0.795 292 P CB 0.522 32.201 31.700 -0.036 0.000 1.006 293 V N 2.961 122.833 119.914 -0.069 0.000 2.488 293 V HA 0.110 4.235 4.120 0.008 0.000 0.277 293 V C 0.743 176.826 176.094 -0.019 0.000 1.046 293 V CA -0.143 62.119 62.300 -0.063 0.000 0.986 293 V CB 0.230 32.052 31.823 -0.002 0.000 0.989 293 V HN 0.359 nan 8.190 nan 0.000 0.475 294 I N 4.984 125.546 120.570 -0.013 0.000 2.437 294 I HA 0.321 4.496 4.170 0.008 0.000 0.298 294 I C 0.147 176.285 176.117 0.035 0.000 0.984 294 I CA -0.802 60.503 61.300 0.008 0.000 1.214 294 I CB 1.738 39.739 38.000 0.002 0.000 1.365 294 I HN 0.487 nan 8.210 nan 0.000 0.469 295 L N 5.371 126.616 121.223 0.037 0.000 2.530 295 L HA 0.051 4.396 4.340 0.008 0.000 0.273 295 L C 1.227 178.130 176.870 0.054 0.000 1.141 295 L CA 0.271 55.141 54.840 0.049 0.000 0.905 295 L CB 0.722 42.807 42.059 0.042 0.000 1.202 295 L HN 0.704 nan 8.230 nan 0.000 0.473 296 S N 3.521 119.262 115.700 0.069 0.000 2.387 296 S HA 0.069 4.544 4.470 0.008 0.000 0.226 296 S C 1.122 175.769 174.600 0.079 0.000 1.026 296 S CA 0.565 58.810 58.200 0.076 0.000 0.972 296 S CB -0.208 63.048 63.200 0.092 0.000 0.814 296 S HN 1.109 nan 8.310 nan 0.000 0.477 297 G N 1.942 110.794 108.800 0.086 0.000 2.575 297 G HA2 -0.235 3.730 3.960 0.008 0.000 0.267 297 G HA3 -0.235 3.730 3.960 0.008 0.000 0.267 297 G C -2.869 172.082 174.900 0.083 0.000 1.264 297 G CA -0.361 44.784 45.100 0.074 0.000 0.935 297 G HN 0.395 nan 8.290 nan 0.000 0.568 298 P HA 0.462 nan 4.420 nan 0.000 0.276 298 P C -2.263 175.024 177.300 -0.021 0.000 1.244 298 P CA -1.164 61.926 63.100 -0.017 0.000 0.801 298 P CB 0.106 31.803 31.700 -0.005 0.000 1.006 299 P HA 0.060 nan 4.420 nan 0.000 0.269 299 P C 0.507 177.713 177.300 -0.156 0.000 1.217 299 P CA 0.189 63.180 63.100 -0.181 0.000 0.783 299 P CB 0.351 31.712 31.700 -0.564 0.000 0.898 300 Q N -0.533 119.205 119.800 -0.103 0.000 2.319 300 Q HA 0.151 4.496 4.340 0.008 0.000 0.209 300 Q C 0.275 176.269 176.000 -0.010 0.000 0.884 300 Q CA 0.518 56.308 55.803 -0.021 0.000 0.938 300 Q CB 0.268 29.012 28.738 0.011 0.000 1.098 300 Q HN 0.632 nan 8.270 nan 0.000 0.517 301 S N -0.916 114.714 115.700 -0.116 0.000 2.615 301 S HA 0.752 5.227 4.470 0.008 0.000 0.269 301 S C -1.083 173.379 174.600 -0.231 0.000 1.161 301 S CA -0.841 57.349 58.200 -0.017 0.000 0.817 301 S CB 1.143 64.380 63.200 0.061 0.000 1.131 301 S HN 0.019 nan 8.310 nan 0.000 0.467 302 F N 1.385 121.441 119.950 0.177 0.000 2.617 302 F HA 0.676 5.208 4.527 0.009 0.000 0.325 302 F C 0.136 176.065 175.800 0.215 0.000 1.179 302 F CA -0.212 57.898 58.000 0.182 0.000 0.965 302 F CB 2.354 41.445 39.000 0.152 0.000 1.232 302 F HN 0.907 nan 8.300 nan 0.000 0.461 303 S N 2.100 117.982 115.700 0.303 0.000 2.570 303 S HA 0.817 5.292 4.470 0.008 0.000 0.286 303 S C -1.287 173.432 174.600 0.198 0.000 1.099 303 S CA -0.910 57.429 58.200 0.232 0.000 0.913 303 S CB 2.779 66.066 63.200 0.145 0.000 1.085 303 S HN 0.492 nan 8.310 nan 0.000 0.480 304 E N 0.679 120.974 120.200 0.159 0.000 2.299 304 E HA 0.569 4.924 4.350 0.008 0.000 0.265 304 E C -1.014 175.629 176.600 0.072 0.000 0.911 304 E CA -0.705 55.766 56.400 0.118 0.000 0.789 304 E CB 2.471 32.239 29.700 0.115 0.000 1.246 304 E HN 0.792 nan 8.360 nan 0.000 0.427 305 E N 0.318 120.547 120.200 0.048 0.000 2.393 305 E HA 0.379 4.734 4.350 0.008 0.000 0.273 305 E C -1.762 174.828 176.600 -0.016 0.000 0.918 305 E CA -0.598 55.804 56.400 0.004 0.000 0.773 305 E CB 1.998 31.694 29.700 -0.008 0.000 1.275 305 E HN 0.228 nan 8.360 nan 0.000 0.451 306 D N 0.148 120.496 120.400 -0.086 0.000 2.990 306 D HA 0.325 4.970 4.640 0.008 0.000 0.227 306 D C -1.625 174.392 176.300 -0.472 0.000 1.249 306 D CA -0.198 53.719 54.000 -0.138 0.000 0.891 306 D CB 2.181 43.012 40.800 0.052 0.000 1.647 306 D HN 0.204 nan 8.370 nan 0.000 0.530 307 S N 1.570 117.057 115.700 -0.355 0.000 2.608 307 S HA 0.868 5.343 4.470 0.008 0.000 0.291 307 S C -1.291 173.167 174.600 -0.238 0.000 1.146 307 S CA -0.448 57.505 58.200 -0.413 0.000 1.043 307 S CB 0.362 63.471 63.200 -0.152 0.000 1.037 307 S HN 0.350 nan 8.310 nan 0.000 0.520 308 F N 0.988 120.963 119.950 0.042 0.000 3.484 308 F HA 0.333 4.865 4.527 0.009 0.000 0.332 308 F C -1.250 174.582 175.800 0.053 0.000 0.972 308 F CA -1.343 56.683 58.000 0.043 0.000 1.503 308 F CB -0.721 38.294 39.000 0.026 0.000 1.805 308 F HN 0.160 nan 8.300 nan 0.000 0.848 309 K N 3.939 124.503 120.400 0.273 0.000 2.285 309 K HA 0.448 4.773 4.320 0.008 0.000 0.286 309 K C 0.371 177.085 176.600 0.190 0.000 1.072 309 K CA -0.169 56.236 56.287 0.197 0.000 0.913 309 K CB 1.245 33.825 32.500 0.133 0.000 1.067 309 K HN 0.827 nan 8.250 nan 0.000 0.479 310 K N -0.345 120.168 120.400 0.189 0.000 3.548 310 K HA -0.191 4.134 4.320 0.008 0.000 0.296 310 K C 0.797 177.465 176.600 0.113 0.000 1.324 310 K CA 1.002 57.370 56.287 0.134 0.000 0.976 310 K CB -2.395 30.157 32.500 0.086 0.000 1.294 310 K HN 0.584 nan 8.250 nan 0.000 0.464 311 C N 1.070 120.452 119.300 0.136 0.000 2.448 311 C HA 0.036 4.501 4.460 0.008 0.000 0.280 311 C C 1.522 176.405 174.990 -0.178 0.000 1.398 311 C CA 0.644 59.636 59.018 -0.043 0.000 1.774 311 C CB -0.273 27.366 27.740 -0.169 0.000 1.888 311 C HN 0.565 nan 8.230 nan 0.000 0.519 312 S N 0.951 116.589 115.700 -0.103 0.000 2.473 312 S HA 0.230 4.705 4.470 0.008 0.000 0.312 312 S C 1.318 175.928 174.600 0.017 0.000 1.087 312 S CA 0.250 58.382 58.200 -0.113 0.000 1.077 312 S CB 0.420 63.673 63.200 0.089 0.000 1.065 312 S HN 0.655 nan 8.310 nan 0.000 0.510 313 S N 4.712 120.407 115.700 -0.009 0.000 2.392 313 S HA -0.130 4.345 4.470 0.008 0.000 0.225 313 S C 0.525 175.156 174.600 0.052 0.000 1.041 313 S CA 1.528 59.739 58.200 0.020 0.000 1.100 313 S CB -0.539 62.665 63.200 0.006 0.000 1.029 313 S HN 0.852 nan 8.310 nan 0.000 0.424 314 E N -1.649 118.601 120.200 0.082 0.000 2.345 314 E HA 0.276 4.631 4.350 0.008 0.000 0.183 314 E C -0.144 176.539 176.600 0.138 0.000 1.106 314 E CA 0.450 56.923 56.400 0.121 0.000 0.823 314 E CB -0.249 29.476 29.700 0.043 0.000 0.812 314 E HN 0.796 nan 8.360 nan 0.000 0.434 315 V N -2.200 117.828 119.914 0.190 0.000 3.580 315 V HA 0.048 4.173 4.120 0.008 0.000 0.281 315 V C 1.224 177.388 176.094 0.117 0.000 1.855 315 V CA 0.939 63.361 62.300 0.204 0.000 1.091 315 V CB -0.600 31.286 31.823 0.106 0.000 0.949 315 V HN 0.084 nan 8.190 nan 0.000 0.331 316 E N 0.558 120.793 120.200 0.058 0.000 2.463 316 E HA 0.518 4.873 4.350 0.008 0.000 0.201 316 E C 1.101 177.684 176.600 -0.028 0.000 1.045 316 E CA 1.784 58.190 56.400 0.009 0.000 0.872 316 E CB -0.244 29.448 29.700 -0.012 0.000 0.797 316 E HN 2.558 nan 8.360 nan 0.000 0.538 317 A N 0.334 123.147 122.820 -0.013 0.000 2.709 317 A HA 0.576 4.900 4.320 0.008 0.000 0.332 317 A C 0.657 178.122 177.584 -0.197 0.000 1.241 317 A CA 0.167 52.139 52.037 -0.109 0.000 0.782 317 A CB 0.280 19.184 19.000 -0.159 0.000 1.109 317 A HN 0.294 nan 8.150 nan 0.000 0.472 318 K N 0.794 121.073 120.400 -0.202 0.000 2.645 318 K HA 0.075 4.400 4.320 0.008 0.000 0.203 318 K C 0.872 177.378 176.600 -0.156 0.000 1.653 318 K CA 0.437 56.543 56.287 -0.301 0.000 1.138 318 K CB -0.193 32.199 32.500 -0.181 0.000 1.515 318 K HN 0.319 nan 8.250 nan 0.000 0.592 319 N N 1.764 120.405 118.700 -0.098 0.000 2.073 319 N HA -0.199 4.546 4.740 0.008 0.000 0.199 319 N C 1.409 176.883 175.510 -0.061 0.000 1.023 319 N CA 2.003 55.015 53.050 -0.064 0.000 0.880 319 N CB 0.059 38.513 38.487 -0.056 0.000 1.052 319 N HN 0.103 nan 8.380 nan 0.000 0.449 320 K N 0.459 120.812 120.400 -0.079 0.000 2.113 320 K HA -0.085 4.240 4.320 0.008 0.000 0.208 320 K C 1.969 178.558 176.600 -0.018 0.000 1.047 320 K CA 0.932 57.202 56.287 -0.029 0.000 0.928 320 K CB -0.617 31.878 32.500 -0.008 0.000 0.716 320 K HN 0.430 nan 8.250 nan 0.000 0.446 321 I N 1.144 121.665 120.570 -0.080 0.000 2.361 321 I HA -0.241 3.934 4.170 0.008 0.000 0.251 321 I C 1.961 178.058 176.117 -0.032 0.000 1.133 321 I CA 1.123 62.375 61.300 -0.081 0.000 1.413 321 I CB -0.222 37.667 38.000 -0.185 0.000 1.073 321 I HN 0.255 nan 8.210 nan 0.000 0.424 322 E N 0.593 120.774 120.200 -0.031 0.000 2.107 322 E HA -0.164 4.191 4.350 0.008 0.000 0.191 322 E C 1.914 178.521 176.600 0.011 0.000 0.982 322 E CA 0.661 57.057 56.400 -0.006 0.000 0.809 322 E CB -0.105 29.588 29.700 -0.012 0.000 0.756 322 E HN 0.494 nan 8.360 nan 0.000 0.459 323 E N 1.352 121.558 120.200 0.011 0.000 2.021 323 E HA -0.210 4.145 4.350 0.008 0.000 0.200 323 E C 2.415 179.039 176.600 0.039 0.000 1.015 323 E CA 1.011 57.424 56.400 0.023 0.000 0.824 323 E CB -0.389 29.329 29.700 0.029 0.000 0.762 323 E HN 0.235 nan 8.360 nan 0.000 0.454 324 L N 0.440 121.693 121.223 0.049 0.000 2.010 324 L HA -0.288 4.057 4.340 0.008 0.000 0.219 324 L C 2.732 179.659 176.870 0.095 0.000 1.077 324 L CA 1.091 55.973 54.840 0.070 0.000 0.773 324 L CB -0.708 41.389 42.059 0.063 0.000 0.892 324 L HN 0.138 nan 8.230 nan 0.000 0.436 325 L N -0.232 121.045 121.223 0.091 0.000 2.013 325 L HA -0.249 4.096 4.340 0.008 0.000 0.212 325 L C 2.759 179.681 176.870 0.086 0.000 1.073 325 L CA 2.136 57.053 54.840 0.128 0.000 0.753 325 L CB -1.075 41.044 42.059 0.100 0.000 0.890 325 L HN 0.264 nan 8.230 nan 0.000 0.432 326 A N -1.242 121.607 122.820 0.047 0.000 1.849 326 A HA -0.281 4.044 4.320 0.008 0.000 0.217 326 A C 2.437 180.027 177.584 0.010 0.000 1.202 326 A CA 2.577 54.626 52.037 0.020 0.000 0.629 326 A CB -1.133 17.874 19.000 0.012 0.000 0.834 326 A HN 0.484 nan 8.150 nan 0.000 0.447 327 S N 0.208 115.921 115.700 0.022 0.000 2.359 327 S HA -0.187 4.288 4.470 0.008 0.000 0.223 327 S C 1.869 176.476 174.600 0.012 0.000 1.039 327 S CA 1.638 59.849 58.200 0.018 0.000 1.042 327 S CB -0.751 62.472 63.200 0.039 0.000 0.915 327 S HN 0.453 nan 8.310 nan 0.000 0.439 328 L N 0.544 121.802 121.223 0.059 0.000 2.051 328 L HA -0.202 4.143 4.340 0.008 0.000 0.214 328 L C 2.413 179.193 176.870 -0.150 0.000 1.076 328 L CA 1.039 55.910 54.840 0.052 0.000 0.758 328 L CB -0.631 41.595 42.059 0.278 0.000 0.890 328 L HN 0.239 nan 8.230 nan 0.000 0.433 329 L N -0.234 120.913 121.223 -0.126 0.000 2.042 329 L HA -0.261 4.084 4.340 0.008 0.000 0.210 329 L C 2.395 179.139 176.870 -0.210 0.000 1.076 329 L CA 1.661 56.375 54.840 -0.210 0.000 0.749 329 L CB -0.835 41.162 42.059 -0.104 0.000 0.893 329 L HN 0.325 nan 8.230 nan 0.000 0.432 330 N N -0.680 117.937 118.700 -0.138 0.000 2.244 330 N HA -0.145 4.600 4.740 0.008 0.000 0.183 330 N C 1.979 177.393 175.510 -0.160 0.000 1.016 330 N CA 0.990 53.966 53.050 -0.124 0.000 0.866 330 N CB 0.159 38.602 38.487 -0.073 0.000 0.980 330 N HN 0.343 nan 8.380 nan 0.000 0.430 331 R N 0.065 120.455 120.500 -0.184 0.000 2.052 331 R HA 0.036 4.381 4.340 0.008 0.000 0.226 331 R C 2.229 178.242 176.300 -0.478 0.000 1.145 331 R CA 0.650 56.626 56.100 -0.207 0.000 0.952 331 R CB -0.667 29.593 30.300 -0.067 0.000 0.847 331 R HN 0.019 nan 8.270 nan 0.000 0.431 332 V N 1.388 120.880 119.914 -0.703 0.000 2.332 332 V HA -0.349 3.776 4.120 0.008 0.000 0.248 332 V C 2.622 178.361 176.094 -0.593 0.000 1.055 332 V CA 1.668 63.370 62.300 -0.996 0.000 1.038 332 V CB -0.481 30.813 31.823 -0.882 0.000 0.651 332 V HN 0.525 nan 8.190 nan 0.000 0.450 333 C N -0.155 118.900 119.300 -0.409 0.000 2.806 333 C HA -0.320 4.145 4.460 0.008 0.000 0.285 333 C C 2.913 177.775 174.990 -0.213 0.000 1.171 333 C CA 2.094 60.956 59.018 -0.259 0.000 1.802 333 C CB -1.265 26.358 27.740 -0.195 0.000 1.897 333 C HN 0.651 nan 8.230 nan 0.000 0.408 334 Q N 0.058 119.750 119.800 -0.179 0.000 2.208 334 Q HA -0.360 3.985 4.340 0.008 0.000 0.219 334 Q C 1.618 177.549 176.000 -0.114 0.000 1.027 334 Q CA 2.857 58.583 55.803 -0.128 0.000 0.925 334 Q CB -1.052 27.620 28.738 -0.111 0.000 1.006 334 Q HN 0.923 nan 8.270 nan 0.000 0.415 335 D N -1.315 118.995 120.400 -0.150 0.000 2.158 335 D HA -0.158 4.487 4.640 0.008 0.000 0.197 335 D C 1.322 177.589 176.300 -0.056 0.000 0.995 335 D CA 2.690 56.645 54.000 -0.076 0.000 0.846 335 D CB -0.126 40.668 40.800 -0.011 0.000 0.941 335 D HN 0.443 nan 8.370 nan 0.000 0.456 336 G N -0.858 107.896 108.800 -0.076 0.000 2.261 336 G HA2 -0.251 3.714 3.960 0.008 0.000 0.228 336 G HA3 -0.251 3.714 3.960 0.008 0.000 0.228 336 G C -0.329 174.546 174.900 -0.041 0.000 2.090 336 G CA -0.200 44.871 45.100 -0.048 0.000 1.588 336 G HN 0.460 nan 8.290 nan 0.000 0.520 337 R N 1.694 122.186 120.500 -0.012 0.000 2.545 337 R HA 0.390 4.735 4.340 0.008 0.000 0.269 337 R C 0.474 176.769 176.300 -0.008 0.000 0.970 337 R CA 1.568 57.675 56.100 0.012 0.000 1.096 337 R CB -0.112 30.218 30.300 0.050 0.000 0.889 337 R HN 0.952 nan 8.270 nan 0.000 0.422 338 K N 3.521 123.949 120.400 0.046 0.000 2.259 338 K HA 0.482 4.806 4.320 0.008 0.000 0.249 338 K C -2.635 174.063 176.600 0.164 0.000 0.942 338 K CA -2.052 54.259 56.287 0.040 0.000 0.816 338 K CB 1.022 33.542 32.500 0.034 0.000 1.155 338 K HN 0.553 nan 8.250 nan 0.000 0.428 339 P HA 0.323 nan 4.420 nan 0.000 0.284 339 P C -0.537 176.960 177.300 0.330 0.000 1.253 339 P CA -0.024 63.238 63.100 0.271 0.000 0.800 339 P CB 0.742 32.633 31.700 0.317 0.000 0.961 340 H N -0.162 118.984 119.070 0.127 0.000 2.652 340 H HA 0.192 4.753 4.556 0.008 0.000 0.274 340 H C -0.102 175.285 175.328 0.099 0.000 1.021 340 H CA 0.200 56.306 56.048 0.098 0.000 1.187 340 H CB 0.935 30.739 29.762 0.070 0.000 1.505 340 H HN 0.395 nan 8.280 nan 0.000 0.530 341 T N 0.950 115.639 114.554 0.224 0.000 2.900 341 T HA 0.362 4.716 4.350 0.008 0.000 0.295 341 T C -0.860 173.890 174.700 0.083 0.000 1.044 341 T CA -0.498 61.681 62.100 0.132 0.000 0.995 341 T CB 3.047 71.981 68.868 0.110 0.000 1.072 341 T HN -0.124 nan 8.240 nan 0.000 0.473 342 V N 2.019 121.914 119.914 -0.030 0.000 2.823 342 V HA 0.822 4.947 4.120 0.008 0.000 0.312 342 V C -0.806 175.204 176.094 -0.141 0.000 1.072 342 V CA -0.835 61.333 62.300 -0.220 0.000 0.937 342 V CB 2.048 33.687 31.823 -0.306 0.000 1.013 342 V HN 0.827 nan 8.190 nan 0.000 0.430 343 R N 4.118 124.512 120.500 -0.178 0.000 2.725 343 R HA 0.756 5.101 4.340 0.008 0.000 0.277 343 R C -2.314 173.935 176.300 -0.085 0.000 0.987 343 R CA -0.672 55.376 56.100 -0.086 0.000 0.901 343 R CB 2.034 32.310 30.300 -0.041 0.000 1.207 343 R HN 0.632 nan 8.270 nan 0.000 0.463 344 L N 4.188 125.393 121.223 -0.030 0.000 2.386 344 L HA 0.606 4.951 4.340 0.008 0.000 0.271 344 L C -0.910 175.975 176.870 0.026 0.000 0.993 344 L CA -0.364 54.475 54.840 -0.002 0.000 0.819 344 L CB 2.179 44.257 42.059 0.031 0.000 1.294 344 L HN 0.540 nan 8.230 nan 0.000 0.414 345 I N 4.028 124.616 120.570 0.030 0.000 2.647 345 I HA 0.623 4.798 4.170 0.008 0.000 0.295 345 I C -0.749 175.396 176.117 0.047 0.000 1.078 345 I CA -0.648 60.672 61.300 0.034 0.000 1.048 345 I CB 2.218 40.228 38.000 0.016 0.000 1.239 345 I HN 0.508 nan 8.210 nan 0.000 0.421 346 I N 2.159 122.761 120.570 0.053 0.000 3.191 346 I HA 0.767 4.942 4.170 0.008 0.000 0.313 346 I C -1.103 175.039 176.117 0.041 0.000 1.193 346 I CA -0.734 60.606 61.300 0.067 0.000 0.968 346 I CB 2.332 40.407 38.000 0.126 0.000 1.262 346 I HN 0.634 nan 8.210 nan 0.000 0.456 347 R N 1.958 122.481 120.500 0.038 0.000 2.831 347 R HA 0.746 5.091 4.340 0.008 0.000 0.266 347 R C -1.783 174.552 176.300 0.057 0.000 1.051 347 R CA -0.771 55.351 56.100 0.036 0.000 0.943 347 R CB 2.197 32.505 30.300 0.012 0.000 1.228 347 R HN 1.014 nan 8.270 nan 0.000 0.467 348 R N -1.110 119.420 120.500 0.049 0.000 2.817 348 R HA 0.622 4.967 4.340 0.008 0.000 0.268 348 R C -0.917 175.410 176.300 0.044 0.000 1.027 348 R CA -0.459 55.675 56.100 0.058 0.000 0.928 348 R CB 0.686 31.020 30.300 0.057 0.000 1.228 348 R HN 0.625 nan 8.270 nan 0.000 0.469 349 Y N -1.241 119.086 120.300 0.045 0.000 2.536 349 Y HA 0.821 5.376 4.550 0.008 0.000 0.347 349 Y C 0.479 176.395 175.900 0.027 0.000 1.000 349 Y CA -0.138 57.983 58.100 0.035 0.000 1.051 349 Y CB 1.450 39.934 38.460 0.041 0.000 1.259 349 Y HN 1.010 nan 8.280 nan 0.000 0.468 350 S N -0.316 115.396 115.700 0.020 0.000 6.612 350 S HA 0.588 5.063 4.470 0.008 0.000 0.085 350 S C 0.891 175.497 174.600 0.010 0.000 1.265 350 S CA 1.139 59.348 58.200 0.014 0.000 1.330 350 S CB -0.791 62.417 63.200 0.013 0.000 1.817 350 S HN 2.427 nan 8.310 nan 0.000 0.551 351 S N 0.203 115.908 115.700 0.009 0.000 2.751 351 S HA 0.739 5.214 4.470 0.008 0.000 0.310 351 S C 0.229 174.833 174.600 0.008 0.000 1.128 351 S CA 0.615 58.818 58.200 0.006 0.000 0.931 351 S CB 0.331 63.535 63.200 0.005 0.000 1.177 351 S HN 1.479 nan 8.310 nan 0.000 0.530 352 E N 0.344 120.548 120.200 0.006 0.000 2.614 352 E HA 0.464 4.819 4.350 0.008 0.000 0.321 352 E C 0.503 177.111 176.600 0.014 0.000 1.354 352 E CA -0.130 56.274 56.400 0.008 0.000 1.469 352 E CB -1.968 27.735 29.700 0.005 0.000 1.197 352 E HN 1.097 nan 8.360 nan 0.000 0.497 353 K N 0.410 120.818 120.400 0.014 0.000 1.895 353 K HA 0.208 4.532 4.320 0.008 0.000 0.229 353 K C 1.272 177.885 176.600 0.022 0.000 1.161 353 K CA 1.060 57.358 56.287 0.018 0.000 1.288 353 K CB -2.187 30.323 32.500 0.016 0.000 0.962 353 K HN 1.174 nan 8.250 nan 0.000 0.326 354 H N -1.273 117.815 119.070 0.031 0.000 2.466 354 H HA 0.131 4.692 4.556 0.008 0.000 0.297 354 H C 0.994 176.353 175.328 0.050 0.000 1.113 354 H CA 2.533 58.610 56.048 0.048 0.000 1.273 354 H CB -0.660 29.153 29.762 0.085 0.000 1.371 354 H HN 1.551 nan 8.280 nan 0.000 0.528 355 Y N -2.336 117.988 120.300 0.040 0.000 2.441 355 Y HA 0.588 5.143 4.550 0.008 0.000 0.334 355 Y C 0.680 176.594 175.900 0.023 0.000 1.061 355 Y CA -1.233 56.887 58.100 0.032 0.000 1.032 355 Y CB 1.151 39.635 38.460 0.039 0.000 1.266 355 Y HN 0.987 nan 8.280 nan 0.000 0.441 356 G N 2.504 111.316 108.800 0.019 0.000 4.193 356 G HA2 0.415 4.380 3.960 0.008 0.000 0.238 356 G HA3 0.415 4.380 3.960 0.008 0.000 0.238 356 G C -0.725 174.186 174.900 0.018 0.000 3.770 356 G CA -0.728 44.382 45.100 0.018 0.000 0.587 356 G HN 0.913 nan 8.290 nan 0.000 0.219 357 R N 0.266 120.776 120.500 0.017 0.000 2.536 357 R HA 0.786 5.131 4.340 0.008 0.000 0.279 357 R C -0.564 175.749 176.300 0.022 0.000 1.001 357 R CA -0.700 55.410 56.100 0.018 0.000 1.027 357 R CB 1.785 32.093 30.300 0.012 0.000 1.096 357 R HN 0.276 nan 8.270 nan 0.000 0.502 358 E N 0.421 120.638 120.200 0.028 0.000 2.312 358 E HA 0.460 4.815 4.350 0.008 0.000 0.267 358 E C -1.213 175.408 176.600 0.035 0.000 0.894 358 E CA -0.798 55.620 56.400 0.030 0.000 0.773 358 E CB 2.451 32.171 29.700 0.033 0.000 1.241 358 E HN 0.724 nan 8.360 nan 0.000 0.432 359 S N 1.416 117.135 115.700 0.031 0.000 2.550 359 S HA 0.718 5.192 4.470 0.008 0.000 0.270 359 S C -1.168 173.449 174.600 0.029 0.000 1.145 359 S CA -1.213 57.006 58.200 0.031 0.000 0.852 359 S CB 1.631 64.844 63.200 0.023 0.000 1.119 359 S HN 0.264 nan 8.310 nan 0.000 0.465 360 R N 1.365 121.883 120.500 0.030 0.000 2.502 360 R HA 0.503 4.848 4.340 0.008 0.000 0.300 360 R C -0.968 175.342 176.300 0.016 0.000 0.984 360 R CA -0.448 55.667 56.100 0.025 0.000 0.882 360 R CB 1.511 31.831 30.300 0.034 0.000 1.180 360 R HN 0.899 nan 8.270 nan 0.000 0.444 361 Q N 1.906 121.714 119.800 0.013 0.000 2.235 361 Q HA 0.680 5.025 4.340 0.008 0.000 0.256 361 Q C -0.797 175.209 176.000 0.011 0.000 0.951 361 Q CA -0.530 55.278 55.803 0.008 0.000 0.890 361 Q CB 1.529 30.276 28.738 0.015 0.000 1.279 361 Q HN 0.844 nan 8.270 nan 0.000 0.444 362 C N 1.430 120.734 119.300 0.007 0.000 3.239 362 C HA 0.704 5.169 4.460 0.008 0.000 0.329 362 C C -2.925 172.078 174.990 0.021 0.000 1.252 362 C CA -1.950 57.078 59.018 0.015 0.000 1.323 362 C CB 1.095 28.844 27.740 0.014 0.000 1.663 362 C HN 0.650 nan 8.230 nan 0.000 0.487 363 P HA 0.313 nan 4.420 nan 0.000 0.268 363 P C -0.461 176.854 177.300 0.026 0.000 1.205 363 P CA 0.219 63.343 63.100 0.041 0.000 0.771 363 P CB 0.320 32.044 31.700 0.040 0.000 0.858 364 I N 5.311 125.897 120.570 0.027 0.000 2.396 364 I HA 0.144 4.319 4.170 0.008 0.000 0.289 364 I C -1.822 174.279 176.117 -0.027 0.000 1.056 364 I CA -2.113 59.195 61.300 0.015 0.000 1.365 364 I CB 0.629 38.654 38.000 0.041 0.000 1.407 364 I HN 0.186 nan 8.210 nan 0.000 0.509 365 P HA -0.009 nan 4.420 nan 0.000 0.264 365 P C 0.657 177.926 177.300 -0.051 0.000 1.183 365 P CA 0.046 63.132 63.100 -0.023 0.000 0.763 365 P CB 0.597 32.292 31.700 -0.008 0.000 0.807 366 S N 1.264 116.930 115.700 -0.057 0.000 2.370 366 S HA -0.311 4.164 4.470 0.008 0.000 0.226 366 S C 2.056 176.625 174.600 -0.052 0.000 1.033 366 S CA 1.808 59.963 58.200 -0.075 0.000 1.011 366 S CB -1.961 61.211 63.200 -0.047 0.000 0.852 366 S HN 0.719 nan 8.310 nan 0.000 0.457 367 H N 1.356 120.408 119.070 -0.030 0.000 2.394 367 H HA -0.032 4.529 4.556 0.008 0.000 0.297 367 H C 2.661 177.974 175.328 -0.025 0.000 1.113 367 H CA 2.596 58.631 56.048 -0.021 0.000 1.277 367 H CB -1.235 28.520 29.762 -0.012 0.000 1.370 367 H HN 0.638 nan 8.280 nan 0.000 0.506 368 V N -1.149 118.749 119.914 -0.027 0.000 2.591 368 V HA -0.018 4.107 4.120 0.008 0.000 0.249 368 V C 2.438 178.513 176.094 -0.031 0.000 1.053 368 V CA 1.685 63.974 62.300 -0.019 0.000 1.068 368 V CB -0.562 31.260 31.823 -0.001 0.000 0.689 368 V HN 0.676 nan 8.190 nan 0.000 0.462 369 I N 0.331 120.867 120.570 -0.057 0.000 2.361 369 I HA -0.162 4.013 4.170 0.008 0.000 0.251 369 I C 2.007 178.092 176.117 -0.054 0.000 1.133 369 I CA 1.216 62.472 61.300 -0.074 0.000 1.413 369 I CB -0.248 37.664 38.000 -0.148 0.000 1.073 369 I HN 0.476 nan 8.210 nan 0.000 0.424 380 M N 1.510 121.113 119.600 0.005 0.000 2.065 380 M HA -0.165 4.320 4.480 0.008 0.000 0.259 380 M C 2.419 178.731 176.300 0.020 0.000 1.069 380 M CA 2.895 58.205 55.300 0.017 0.000 1.110 380 M CB -0.432 32.174 32.600 0.010 0.000 1.328 380 M HN 0.867 nan 8.290 nan 0.000 0.405 381 T N -1.071 113.490 114.554 0.012 0.000 2.708 381 T HA -0.071 4.284 4.350 0.008 0.000 0.266 381 T C -0.698 174.011 174.700 0.015 0.000 1.037 381 T CA 1.176 63.282 62.100 0.011 0.000 1.146 381 T CB -2.269 66.602 68.868 0.007 0.000 0.865 381 T HN 0.281 nan 8.240 nan 0.000 0.435 382 P HA -0.002 nan 4.420 nan 0.000 0.217 382 P C 1.846 179.162 177.300 0.028 0.000 1.151 382 P CA 0.812 63.924 63.100 0.019 0.000 0.828 382 P CB -0.233 31.476 31.700 0.015 0.000 0.788 383 M N -0.070 119.552 119.600 0.037 0.000 2.204 383 M HA -0.164 4.321 4.480 0.008 0.000 0.255 383 M C 2.212 178.535 176.300 0.038 0.000 1.073 383 M CA 1.645 56.977 55.300 0.055 0.000 1.084 383 M CB -1.722 30.934 32.600 0.093 0.000 1.289 383 M HN -0.177 nan 8.290 nan 0.000 0.419 384 V N 0.364 120.297 119.914 0.032 0.000 2.277 384 V HA -0.319 3.806 4.120 0.008 0.000 0.253 384 V C 2.009 178.118 176.094 0.024 0.000 1.067 384 V CA 2.386 64.698 62.300 0.020 0.000 1.047 384 V CB -0.878 30.955 31.823 0.016 0.000 0.649 384 V HN 0.379 nan 8.190 nan 0.000 0.447 385 D N -0.674 119.743 120.400 0.028 0.000 2.183 385 D HA -0.044 4.601 4.640 0.008 0.000 0.203 385 D C 2.160 178.483 176.300 0.038 0.000 0.969 385 D CA 1.359 55.379 54.000 0.034 0.000 0.842 385 D CB -0.234 40.584 40.800 0.030 0.000 0.957 385 D HN 0.426 nan 8.370 nan 0.000 0.484 386 I N 0.761 121.349 120.570 0.030 0.000 2.113 386 I HA -0.267 3.908 4.170 0.008 0.000 0.242 386 I C 2.542 178.678 176.117 0.032 0.000 1.064 386 I CA 1.547 62.863 61.300 0.027 0.000 1.320 386 I CB -1.368 36.643 38.000 0.019 0.000 1.028 386 I HN 0.085 nan 8.210 nan 0.000 0.406 387 L N -1.104 120.134 121.223 0.024 0.000 2.017 387 L HA -0.225 4.120 4.340 0.008 0.000 0.208 387 L C 2.897 179.824 176.870 0.094 0.000 1.073 387 L CA 1.556 56.412 54.840 0.026 0.000 0.745 387 L CB -0.839 41.209 42.059 -0.019 0.000 0.894 387 L HN 0.453 nan 8.230 nan 0.000 0.432 388 M N 0.643 120.301 119.600 0.096 0.000 2.080 388 M HA -0.208 4.277 4.480 0.008 0.000 0.260 388 M C 2.726 179.153 176.300 0.213 0.000 1.068 388 M CA 2.407 57.820 55.300 0.189 0.000 1.109 388 M CB -1.457 31.221 32.600 0.131 0.000 1.342 388 M HN 0.255 nan 8.290 nan 0.000 0.405 389 K N 0.139 120.608 120.400 0.115 0.000 2.057 389 K HA -0.045 4.280 4.320 0.008 0.000 0.207 389 K C 2.138 178.785 176.600 0.078 0.000 1.049 389 K CA 1.553 57.886 56.287 0.075 0.000 0.931 389 K CB -1.511 31.017 32.500 0.046 0.000 0.714 389 K HN 0.451 nan 8.250 nan 0.000 0.440 390 L N -0.893 120.385 121.223 0.091 0.000 2.012 390 L HA -0.073 4.272 4.340 0.008 0.000 0.210 390 L C 2.554 179.511 176.870 0.144 0.000 1.073 390 L CA 1.969 56.862 54.840 0.089 0.000 0.748 390 L CB -0.415 41.685 42.059 0.068 0.000 0.891 390 L HN 0.538 nan 8.230 nan 0.000 0.431 391 F N 0.279 120.232 119.950 0.004 0.000 2.192 391 F HA -0.313 4.219 4.527 0.008 0.000 0.301 391 F C 2.628 178.435 175.800 0.011 0.000 1.079 391 F CA 1.245 59.251 58.000 0.011 0.000 1.303 391 F CB 0.067 39.075 39.000 0.013 0.000 1.024 391 F HN -0.077 nan 8.300 nan 0.000 0.494 392 R N 0.328 120.776 120.500 -0.086 0.000 2.055 392 R HA -0.145 4.200 4.340 0.008 0.000 0.226 392 R C 2.113 178.337 176.300 -0.128 0.000 1.135 392 R CA 1.238 57.215 56.100 -0.205 0.000 0.959 392 R CB -0.815 29.424 30.300 -0.102 0.000 0.854 392 R HN 0.239 nan 8.270 nan 0.000 0.431 393 N N 0.231 118.903 118.700 -0.047 0.000 2.573 393 N HA -0.177 4.568 4.740 0.008 0.000 0.196 393 N C -0.032 175.453 175.510 -0.041 0.000 1.064 393 N CA 0.769 53.801 53.050 -0.031 0.000 0.922 393 N CB 0.198 38.683 38.487 -0.004 0.000 0.947 393 N HN 0.151 nan 8.380 nan 0.000 0.450 405 L N 1.694 122.861 121.223 -0.093 0.000 2.549 405 L HA 0.859 5.204 4.340 0.008 0.000 0.259 405 L C -1.567 175.194 176.870 -0.181 0.000 0.934 405 L CA -1.171 53.408 54.840 -0.435 0.000 0.865 405 L CB 1.492 43.346 42.059 -0.342 0.000 1.352 405 L HN 0.341 nan 8.230 nan 0.000 0.410 406 L N 2.783 123.869 121.223 -0.228 0.000 2.346 406 L HA 0.935 5.280 4.340 0.008 0.000 0.276 406 L C 0.367 177.218 176.870 -0.031 0.000 1.006 406 L CA -0.675 54.164 54.840 -0.001 0.000 0.817 406 L CB 1.845 44.011 42.059 0.179 0.000 1.272 406 L HN 1.050 nan 8.230 nan 0.000 0.421 407 S N 1.964 117.660 115.700 -0.006 0.000 2.618 407 S HA 0.821 5.296 4.470 0.008 0.000 0.277 407 S C -1.074 173.525 174.600 -0.001 0.000 1.138 407 S CA -0.708 57.493 58.200 0.002 0.000 0.844 407 S CB 2.439 65.641 63.200 0.003 0.000 1.127 407 S HN 0.193 nan 8.310 nan 0.000 0.474 408 V N 0.600 120.519 119.914 0.008 0.000 2.656 408 V HA 0.711 4.836 4.120 0.008 0.000 0.307 408 V C -0.594 175.497 176.094 -0.006 0.000 1.051 408 V CA -0.706 61.572 62.300 -0.037 0.000 0.893 408 V CB 1.374 33.168 31.823 -0.050 0.000 0.999 408 V HN 1.200 nan 8.190 nan 0.000 0.426 409 C N 5.713 124.963 119.300 -0.084 0.000 2.431 409 C HA 0.742 5.207 4.460 0.008 0.000 0.321 409 C C -0.823 174.098 174.990 -0.115 0.000 1.202 409 C CA -0.681 58.340 59.018 0.006 0.000 1.398 409 C CB -0.063 27.695 27.740 0.029 0.000 2.047 409 C HN 0.712 nan 8.230 nan 0.000 0.465 410 F N 5.539 125.582 119.950 0.154 0.000 2.410 410 F HA 0.634 5.166 4.527 0.008 0.000 0.349 410 F C 1.063 176.986 175.800 0.205 0.000 1.117 410 F CA -0.097 58.000 58.000 0.162 0.000 1.104 410 F CB 0.994 40.087 39.000 0.155 0.000 1.122 410 F HN 0.918 nan 8.300 nan 0.000 0.483 411 C N 1.352 120.834 119.300 0.303 0.000 3.336 411 C HA 0.569 5.034 4.460 0.008 0.000 0.352 411 C C 0.342 175.459 174.990 0.212 0.000 1.567 411 C CA -1.204 57.953 59.018 0.232 0.000 1.328 411 C CB 1.605 29.429 27.740 0.139 0.000 1.922 411 C HN 0.975 nan 8.230 nan 0.000 0.439 412 N N 0.330 119.121 118.700 0.152 0.000 2.727 412 N HA -0.136 4.609 4.740 0.008 0.000 0.251 412 N C -0.557 175.028 175.510 0.124 0.000 1.040 412 N CA 0.182 53.303 53.050 0.118 0.000 0.712 412 N CB -0.351 38.209 38.487 0.121 0.000 0.912 412 N HN 0.681 nan 8.380 nan 0.000 0.545 413 L N 0.663 121.969 121.223 0.139 0.000 2.467 413 L HA 0.239 4.584 4.340 0.008 0.000 0.270 413 L C 1.096 177.975 176.870 0.016 0.000 1.205 413 L CA 1.091 56.009 54.840 0.131 0.000 0.828 413 L CB 0.522 42.697 42.059 0.195 0.000 1.101 413 L HN 0.230 nan 8.230 nan 0.000 0.479 414 K N 0.000 120.393 120.400 -0.011 0.000 2.780 414 K HA 0.000 4.325 4.320 0.008 0.000 0.191 414 K CA 0.000 56.241 56.287 -0.077 0.000 0.838 414 K CB 0.000 32.326 32.500 -0.290 0.000 1.064 414 K HN 0.000 nan 8.250 nan 0.000 0.543