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 3me6_1_C DATA FIRST_RESID 28 DATA SEQUENCE GKLPPGPSPL PVLGNLLQMD RKGLLRSFLR LREKYGDVFT VYLGSRPVVV DATA SEQUENCE LCGTDAIREA LVDQAEAFSG RGKIAVVDPI FQGYGVIFAN GERWRALRRF DATA SEQUENCE SLATMRDFGM GKRSVEERIQ EEARCLVEEL RKSKGALLDN TLLFHSITSN DATA SEQUENCE IICSIVFGKR FDYKDPVFLR LLDLFFQSFS LISSFSSQVF ELFSGFLKYF DATA SEQUENCE PGTHRQIYRN LQEINTFIGQ SVEKHRATLD PSNPRDFIDV YLLRMEKDKS DATA SEQUENCE DPSSEFHHQN LILTVLSLFF AGTETTSTTL RYGFLLMLKY PHVTERVQKE DATA SEQUENCE IEQVIGSHRP PALDDRAKMP YTDAVIHEIQ RLGDLIPFGV PHTVTKDTQF DATA SEQUENCE RGYVIPKNTE VFPVLSSALH DPRYFETPNT FNPGHFLDAN GALKRNEGFM DATA SEQUENCE PFSLGKRICL GEGIARTELF LFFTTILQNF SIASPVPPED IDLTPRESGV DATA SEQUENCE GNVPPSYQIR FLARH 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 28 G C 0.000 174.912 174.900 0.020 0.000 0.946 28 G CA 0.000 45.089 45.100 -0.019 0.000 0.502 29 K N -0.775 119.641 120.400 0.027 0.000 2.288 29 K HA 0.913 5.232 4.320 -0.002 0.000 0.234 29 K C 0.436 177.187 176.600 0.252 0.000 1.037 29 K CA -0.644 55.715 56.287 0.120 0.000 0.914 29 K CB 0.275 32.846 32.500 0.118 0.000 1.197 29 K HN 0.694 nan 8.250 nan 0.000 0.471 30 L N 0.900 122.258 121.223 0.226 0.000 2.475 30 L HA 0.270 4.609 4.340 -0.002 0.000 0.250 30 L C -1.920 175.143 176.870 0.322 0.000 1.224 30 L CA -1.598 53.368 54.840 0.210 0.000 0.821 30 L CB 1.037 43.166 42.059 0.117 0.000 1.141 30 L HN 0.534 nan 8.230 nan 0.000 0.494 31 P HA 0.174 nan 4.420 nan 0.000 0.274 31 P C -2.558 174.764 177.300 0.036 0.000 1.256 31 P CA -1.111 61.789 63.100 -0.334 0.000 0.795 31 P CB 0.086 31.490 31.700 -0.493 0.000 1.038 32 P HA 0.349 nan 4.420 nan 0.000 0.271 32 P C -0.178 177.066 177.300 -0.094 0.000 1.220 32 P CA 0.584 63.758 63.100 0.123 0.000 0.768 32 P CB 0.351 32.197 31.700 0.244 0.000 0.848 33 G N 3.143 111.739 108.800 -0.339 0.000 2.451 33 G HA2 0.448 4.407 3.960 -0.002 0.000 0.292 33 G HA3 0.448 4.407 3.960 -0.002 0.000 0.292 33 G C -3.288 171.216 174.900 -0.661 0.000 1.427 33 G CA -0.920 43.538 45.100 -1.069 0.000 0.792 33 G HN 0.263 nan 8.290 nan 0.000 0.498 34 P HA 0.261 nan 4.420 nan 0.000 0.268 34 P C 0.384 177.642 177.300 -0.070 0.000 1.208 34 P CA 0.032 63.059 63.100 -0.121 0.000 0.777 34 P CB 0.908 32.605 31.700 -0.005 0.000 0.875 35 S N 2.144 117.820 115.700 -0.040 0.000 2.528 35 S HA 0.408 4.877 4.470 -0.002 0.000 0.277 35 S C -2.044 172.473 174.600 -0.139 0.000 1.297 35 S CA -1.072 57.071 58.200 -0.094 0.000 1.052 35 S CB -0.207 62.959 63.200 -0.057 0.000 0.917 35 S HN 0.352 nan 8.310 nan 0.000 0.492 36 P HA 0.463 nan 4.420 nan 0.000 0.284 36 P C -1.322 175.868 177.300 -0.183 0.000 1.258 36 P CA -0.833 62.095 63.100 -0.287 0.000 0.824 36 P CB 0.602 31.892 31.700 -0.683 0.000 1.038 37 L N 4.317 125.476 121.223 -0.107 0.000 2.280 37 L HA 0.461 4.800 4.340 -0.002 0.000 0.287 37 L C -2.170 174.660 176.870 -0.066 0.000 1.023 37 L CA -1.920 52.874 54.840 -0.076 0.000 0.819 37 L CB 0.547 42.576 42.059 -0.050 0.000 1.212 37 L HN 0.224 nan 8.230 nan 0.000 0.420 38 P HA 0.161 nan 4.420 nan 0.000 0.268 38 P C 0.856 178.140 177.300 -0.027 0.000 1.208 38 P CA 0.256 63.331 63.100 -0.042 0.000 0.777 38 P CB 0.837 32.514 31.700 -0.039 0.000 0.875 39 V N 0.357 120.272 119.914 0.003 0.000 0.481 39 V HA -0.330 3.789 4.120 -0.002 0.000 0.092 39 V C 1.808 177.912 176.094 0.018 0.000 2.400 39 V CA 2.153 64.451 62.300 -0.003 0.000 3.646 39 V CB -1.886 29.897 31.823 -0.067 0.000 0.927 39 V HN 0.560 nan 8.190 nan 0.000 0.973 40 L N -0.268 120.949 121.223 -0.011 0.000 2.270 40 L HA 0.309 4.648 4.340 -0.002 0.000 0.210 40 L C 2.074 179.019 176.870 0.126 0.000 1.104 40 L CA 1.586 56.450 54.840 0.040 0.000 0.804 40 L CB -0.467 41.564 42.059 -0.047 0.000 0.937 40 L HN 0.877 nan 8.230 nan 0.000 0.450 41 G N 1.133 109.976 108.800 0.072 0.000 3.729 41 G HA2 -0.444 3.515 3.960 -0.002 0.000 0.327 41 G HA3 -0.444 3.515 3.960 -0.002 0.000 0.327 41 G C 0.631 175.573 174.900 0.069 0.000 1.293 41 G CA 0.956 46.109 45.100 0.089 0.000 1.011 41 G HN 0.458 nan 8.290 nan 0.000 0.673 42 N N -0.076 118.690 118.700 0.108 0.000 2.167 42 N HA 0.357 5.096 4.740 -0.002 0.000 0.234 42 N C 1.298 176.856 175.510 0.081 0.000 1.312 42 N CA 0.419 53.520 53.050 0.084 0.000 0.861 42 N CB 0.762 39.311 38.487 0.103 0.000 1.217 42 N HN 0.434 nan 8.380 nan 0.000 0.504 43 L N 0.615 121.904 121.223 0.110 0.000 2.283 43 L HA -0.114 4.225 4.340 -0.002 0.000 0.217 43 L C 0.872 177.792 176.870 0.083 0.000 1.104 43 L CA 1.840 56.756 54.840 0.127 0.000 0.772 43 L CB -0.149 42.038 42.059 0.213 0.000 0.899 43 L HN 0.296 nan 8.230 nan 0.000 0.439 44 L N -1.710 119.549 121.223 0.060 0.000 2.607 44 L HA 0.086 4.425 4.340 -0.002 0.000 0.228 44 L C 1.476 178.373 176.870 0.044 0.000 1.123 44 L CA -0.019 54.848 54.840 0.045 0.000 0.890 44 L CB -0.096 41.980 42.059 0.029 0.000 1.103 44 L HN 0.241 nan 8.230 nan 0.000 0.468 45 Q N -0.952 118.878 119.800 0.050 0.000 2.247 45 Q HA 0.229 4.568 4.340 -0.002 0.000 0.211 45 Q C 0.613 176.643 176.000 0.049 0.000 0.861 45 Q CA 0.199 56.035 55.803 0.054 0.000 0.949 45 Q CB 0.579 29.359 28.738 0.069 0.000 1.115 45 Q HN 0.223 nan 8.270 nan 0.000 0.507 46 M N 0.013 119.637 119.600 0.041 0.000 2.066 46 M HA 0.298 4.777 4.480 -0.002 0.000 0.203 46 M C -0.134 176.181 176.300 0.026 0.000 1.145 46 M CA 0.007 55.317 55.300 0.018 0.000 1.084 46 M CB 0.022 32.623 32.600 0.001 0.000 1.177 46 M HN -0.094 nan 8.290 nan 0.000 0.588 47 D N -0.296 120.117 120.400 0.023 0.000 2.970 47 D HA 0.232 4.871 4.640 -0.002 0.000 0.230 47 D C 0.264 176.605 176.300 0.068 0.000 1.276 47 D CA -0.286 53.735 54.000 0.036 0.000 0.910 47 D CB 1.785 42.597 40.800 0.021 0.000 1.590 47 D HN 0.401 nan 8.370 nan 0.000 0.551 48 R N 2.394 122.933 120.500 0.066 0.000 2.261 48 R HA -0.169 4.170 4.340 -0.002 0.000 0.236 48 R C 1.339 177.658 176.300 0.031 0.000 1.141 48 R CA 1.150 57.288 56.100 0.064 0.000 1.001 48 R CB 0.265 30.557 30.300 -0.012 0.000 0.866 48 R HN 0.386 nan 8.270 nan 0.000 0.468 49 K N -1.102 119.322 120.400 0.041 0.000 1.967 49 K HA -0.037 4.282 4.320 -0.002 0.000 0.212 49 K C 0.948 177.626 176.600 0.129 0.000 1.044 49 K CA 1.454 57.767 56.287 0.042 0.000 0.942 49 K CB 0.007 32.529 32.500 0.037 0.000 0.726 49 K HN 0.287 nan 8.250 nan 0.000 0.440 50 G N -2.172 106.695 108.800 0.111 0.000 2.428 50 G HA2 0.113 4.072 3.960 -0.002 0.000 0.304 50 G HA3 0.113 4.072 3.960 -0.002 0.000 0.304 50 G C -0.154 174.698 174.900 -0.081 0.000 1.303 50 G CA -0.693 44.476 45.100 0.114 0.000 0.825 50 G HN 0.105 nan 8.290 nan 0.000 0.484 51 L N -0.443 120.669 121.223 -0.185 0.000 2.042 51 L HA -0.075 4.264 4.340 -0.002 0.000 0.210 51 L C 2.823 179.192 176.870 -0.835 0.000 1.076 51 L CA 1.511 55.976 54.840 -0.626 0.000 0.749 51 L CB -0.158 41.496 42.059 -0.675 0.000 0.893 51 L HN 0.504 nan 8.230 nan 0.000 0.432 52 L N -0.266 120.805 121.223 -0.253 0.000 2.044 52 L HA -0.178 4.161 4.340 -0.002 0.000 0.205 52 L C 2.676 179.553 176.870 0.011 0.000 1.075 52 L CA 1.511 56.355 54.840 0.007 0.000 0.747 52 L CB -0.464 41.777 42.059 0.304 0.000 0.903 52 L HN 0.071 nan 8.230 nan 0.000 0.435 53 R N -0.317 120.188 120.500 0.010 0.000 2.091 53 R HA -0.114 4.225 4.340 -0.002 0.000 0.238 53 R C 2.221 178.529 176.300 0.013 0.000 1.136 53 R CA 2.012 58.134 56.100 0.036 0.000 0.959 53 R CB -0.938 29.387 30.300 0.041 0.000 0.856 53 R HN 0.476 nan 8.270 nan 0.000 0.437 54 S N 0.180 115.829 115.700 -0.084 0.000 2.353 54 S HA -0.125 4.344 4.470 -0.002 0.000 0.222 54 S C 1.645 176.270 174.600 0.041 0.000 1.035 54 S CA 1.566 59.712 58.200 -0.090 0.000 1.025 54 S CB -0.461 62.598 63.200 -0.235 0.000 0.902 54 S HN 0.268 nan 8.310 nan 0.000 0.440 55 F N 1.446 121.434 119.950 0.064 0.000 2.171 55 F HA 0.039 4.565 4.527 -0.002 0.000 0.300 55 F C 2.010 177.948 175.800 0.229 0.000 1.090 55 F CA 0.246 58.360 58.000 0.190 0.000 1.293 55 F CB -1.014 38.049 39.000 0.105 0.000 1.013 55 F HN 0.138 nan 8.300 nan 0.000 0.486 56 L N -0.938 120.477 121.223 0.321 0.000 2.131 56 L HA -0.072 4.267 4.340 -0.002 0.000 0.206 56 L C 2.564 179.528 176.870 0.157 0.000 1.087 56 L CA 0.807 55.790 54.840 0.238 0.000 0.767 56 L CB -0.526 41.644 42.059 0.186 0.000 0.917 56 L HN -0.047 nan 8.230 nan 0.000 0.441 57 R N 0.238 120.808 120.500 0.117 0.000 2.127 57 R HA -0.121 4.218 4.340 -0.002 0.000 0.238 57 R C 2.131 178.450 176.300 0.032 0.000 1.134 57 R CA 1.193 57.333 56.100 0.065 0.000 0.975 57 R CB -0.205 30.125 30.300 0.049 0.000 0.865 57 R HN 0.361 nan 8.270 nan 0.000 0.447 58 L N -0.311 120.929 121.223 0.028 0.000 2.418 58 L HA -0.007 4.332 4.340 -0.002 0.000 0.218 58 L C 2.557 179.287 176.870 -0.234 0.000 1.125 58 L CA 0.457 55.235 54.840 -0.103 0.000 0.835 58 L CB -0.385 41.528 42.059 -0.243 0.000 0.953 58 L HN 0.141 nan 8.230 nan 0.000 0.454 59 R N 0.743 121.205 120.500 -0.064 0.000 2.115 59 R HA -0.135 4.204 4.340 -0.002 0.000 0.230 59 R C 1.911 178.218 176.300 0.012 0.000 1.111 59 R CA 0.985 57.111 56.100 0.043 0.000 0.976 59 R CB 0.095 30.548 30.300 0.255 0.000 0.870 59 R HN 0.358 nan 8.270 nan 0.000 0.445 60 E N 1.037 121.235 120.200 -0.004 0.000 2.055 60 E HA -0.278 4.071 4.350 -0.002 0.000 0.209 60 E C 1.868 178.409 176.600 -0.099 0.000 1.036 60 E CA 1.626 58.008 56.400 -0.030 0.000 0.849 60 E CB -0.323 29.358 29.700 -0.033 0.000 0.767 60 E HN 0.275 nan 8.360 nan 0.000 0.461 61 K N -0.424 119.854 120.400 -0.203 0.000 2.002 61 K HA -0.135 4.184 4.320 -0.002 0.000 0.209 61 K C 1.973 178.291 176.600 -0.470 0.000 1.048 61 K CA 1.475 57.496 56.287 -0.442 0.000 0.930 61 K CB -0.102 31.959 32.500 -0.732 0.000 0.714 61 K HN 0.123 nan 8.250 nan 0.000 0.438 62 Y N -1.113 119.086 120.300 -0.167 0.000 2.442 62 Y HA 0.302 4.851 4.550 -0.002 0.000 0.250 62 Y C 0.965 176.861 175.900 -0.006 0.000 1.113 62 Y CA 0.105 58.138 58.100 -0.112 0.000 1.273 62 Y CB 1.321 39.664 38.460 -0.195 0.000 1.138 62 Y HN 0.300 nan 8.280 nan 0.000 0.522 63 G N 0.342 109.218 108.800 0.128 0.000 2.428 63 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.202 63 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.202 63 G C -0.229 174.823 174.900 0.253 0.000 1.247 63 G CA -0.017 45.177 45.100 0.157 0.000 1.020 63 G HN 0.074 nan 8.290 nan 0.000 0.529 64 D N -0.657 119.862 120.400 0.197 0.000 2.249 64 D HA 0.218 4.857 4.640 -0.002 0.000 0.205 64 D C 1.105 177.495 176.300 0.150 0.000 0.962 64 D CA 1.369 55.476 54.000 0.179 0.000 0.860 64 D CB 0.455 41.323 40.800 0.114 0.000 0.955 64 D HN 0.391 nan 8.370 nan 0.000 0.505 65 V N 2.307 122.299 119.914 0.131 0.000 2.349 65 V HA 0.385 4.504 4.120 -0.002 0.000 0.284 65 V C -0.576 175.519 176.094 0.002 0.000 1.014 65 V CA -0.804 61.510 62.300 0.023 0.000 0.826 65 V CB 0.591 32.438 31.823 0.040 0.000 1.009 65 V HN 0.033 nan 8.190 nan 0.000 0.431 66 F N 1.656 121.530 119.950 -0.127 0.000 2.685 66 F HA 0.879 5.405 4.527 -0.002 0.000 0.315 66 F C -0.485 175.190 175.800 -0.208 0.000 1.126 66 F CA -0.716 57.189 58.000 -0.160 0.000 0.950 66 F CB 1.898 40.849 39.000 -0.083 0.000 1.360 66 F HN 0.154 nan 8.300 nan 0.000 0.469 67 T N 2.178 116.800 114.554 0.113 0.000 2.823 67 T HA 0.673 5.022 4.350 -0.002 0.000 0.279 67 T C -1.295 173.435 174.700 0.050 0.000 0.998 67 T CA -0.670 61.399 62.100 -0.051 0.000 0.994 67 T CB 1.641 70.482 68.868 -0.045 0.000 0.960 67 T HN 0.825 nan 8.240 nan 0.000 0.448 68 V N 2.937 122.795 119.914 -0.093 0.000 3.147 68 V HA 0.644 4.763 4.120 -0.002 0.000 0.306 68 V C -2.143 173.866 176.094 -0.141 0.000 1.209 68 V CA -0.882 61.440 62.300 0.036 0.000 1.023 68 V CB 2.214 34.120 31.823 0.137 0.000 1.059 68 V HN 0.872 nan 8.190 nan 0.000 0.435 69 Y N 5.098 125.375 120.300 -0.039 0.000 2.345 69 Y HA 0.624 5.173 4.550 -0.002 0.000 0.331 69 Y C -0.013 175.865 175.900 -0.036 0.000 0.959 69 Y CA -0.614 57.463 58.100 -0.038 0.000 1.204 69 Y CB 1.607 40.057 38.460 -0.018 0.000 1.135 69 Y HN 0.430 nan 8.280 nan 0.000 0.477 70 L N 4.199 125.422 121.223 0.000 0.000 2.264 70 L HA 0.530 4.869 4.340 -0.002 0.000 0.287 70 L C 1.059 177.925 176.870 -0.007 0.000 1.039 70 L CA -0.171 54.640 54.840 -0.049 0.000 0.829 70 L CB 0.618 42.608 42.059 -0.115 0.000 1.211 70 L HN 0.962 nan 8.230 nan 0.000 0.427 71 G N 2.996 111.823 108.800 0.045 0.000 2.620 71 G HA2 -0.436 3.523 3.960 -0.002 0.000 0.315 71 G HA3 -0.436 3.523 3.960 -0.002 0.000 0.315 71 G C 0.991 175.993 174.900 0.170 0.000 1.179 71 G CA 0.850 46.057 45.100 0.179 0.000 0.971 71 G HN 0.718 nan 8.290 nan 0.000 0.544 72 S N 1.278 117.058 115.700 0.133 0.000 2.475 72 S HA 0.159 4.628 4.470 -0.002 0.000 0.224 72 S C 1.271 175.974 174.600 0.171 0.000 1.042 72 S CA 1.043 59.330 58.200 0.145 0.000 0.935 72 S CB -0.046 63.214 63.200 0.099 0.000 0.801 72 S HN 1.207 nan 8.310 nan 0.000 0.509 73 R N 2.938 123.480 120.500 0.070 0.000 2.438 73 R HA 0.433 4.772 4.340 -0.002 0.000 0.287 73 R C -3.105 173.074 176.300 -0.202 0.000 1.077 73 R CA -1.687 54.400 56.100 -0.021 0.000 1.034 73 R CB -0.369 29.915 30.300 -0.028 0.000 0.993 73 R HN 0.140 nan 8.270 nan 0.000 0.459 74 P HA 0.121 nan 4.420 nan 0.000 0.284 74 P C -0.579 176.464 177.300 -0.429 0.000 1.253 74 P CA -0.507 62.129 63.100 -0.774 0.000 0.800 74 P CB 1.502 32.743 31.700 -0.765 0.000 0.961 75 V N 0.972 120.612 119.914 -0.456 0.000 2.483 75 V HA 0.405 4.524 4.120 -0.002 0.000 0.297 75 V C -0.068 175.786 176.094 -0.401 0.000 1.027 75 V CA -1.061 61.017 62.300 -0.370 0.000 0.855 75 V CB 1.459 32.974 31.823 -0.514 0.000 0.995 75 V HN 0.204 nan 8.190 nan 0.000 0.424 76 V N 4.864 124.604 119.914 -0.290 0.000 2.715 76 V HA 0.361 4.480 4.120 -0.002 0.000 0.299 76 V C 0.309 176.140 176.094 -0.438 0.000 1.054 76 V CA 0.043 62.157 62.300 -0.309 0.000 1.077 76 V CB 1.469 33.188 31.823 -0.174 0.000 0.972 76 V HN 0.789 nan 8.190 nan 0.000 0.484 77 V N 5.992 125.503 119.914 -0.672 0.000 2.487 77 V HA 0.472 4.591 4.120 -0.002 0.000 0.298 77 V C -0.280 175.454 176.094 -0.601 0.000 1.028 77 V CA -0.540 61.256 62.300 -0.841 0.000 0.860 77 V CB 1.723 32.606 31.823 -1.566 0.000 0.991 77 V HN 0.599 nan 8.190 nan 0.000 0.427 78 L N 3.950 124.961 121.223 -0.352 0.000 2.317 78 L HA 0.689 5.028 4.340 -0.002 0.000 0.281 78 L C -0.788 176.017 176.870 -0.109 0.000 1.024 78 L CA -0.251 54.472 54.840 -0.195 0.000 0.810 78 L CB 1.767 43.703 42.059 -0.204 0.000 1.240 78 L HN 0.614 nan 8.230 nan 0.000 0.427 79 C N 2.056 121.343 119.300 -0.022 0.000 2.609 79 C HA 0.840 5.299 4.460 -0.002 0.000 0.313 79 C C 0.441 175.474 174.990 0.072 0.000 1.175 79 C CA -0.652 58.395 59.018 0.049 0.000 1.434 79 C CB 1.098 28.910 27.740 0.120 0.000 2.005 79 C HN 1.081 nan 8.230 nan 0.000 0.471 80 G N 3.024 111.873 108.800 0.083 0.000 2.750 80 G HA2 -0.100 3.859 3.960 -0.002 0.000 0.686 80 G HA3 -0.100 3.859 3.960 -0.002 0.000 0.686 80 G C 0.392 175.325 174.900 0.056 0.000 1.395 80 G CA -0.086 45.074 45.100 0.099 0.000 0.918 80 G HN 0.965 nan 8.290 nan 0.000 0.594 81 T N 0.944 115.522 114.554 0.040 0.000 2.567 81 T HA -0.269 4.080 4.350 -0.002 0.000 0.261 81 T C 1.856 176.537 174.700 -0.031 0.000 1.123 81 T CA 2.355 64.410 62.100 -0.075 0.000 1.166 81 T CB -0.380 68.298 68.868 -0.317 0.000 0.860 81 T HN 0.728 nan 8.240 nan 0.000 0.436 82 D N 1.422 121.854 120.400 0.054 0.000 2.117 82 D HA 0.021 4.660 4.640 -0.002 0.000 0.198 82 D C 2.517 178.848 176.300 0.052 0.000 0.982 82 D CA 1.158 55.196 54.000 0.062 0.000 0.828 82 D CB -0.467 40.397 40.800 0.107 0.000 0.967 82 D HN 0.462 nan 8.370 nan 0.000 0.464 83 A N 1.632 124.490 122.820 0.064 0.000 1.849 83 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 83 A C 2.382 179.980 177.584 0.023 0.000 1.202 83 A CA 1.359 53.455 52.037 0.098 0.000 0.629 83 A CB -1.029 18.025 19.000 0.091 0.000 0.834 83 A HN 0.131 nan 8.150 nan 0.000 0.447 84 I N -0.960 119.571 120.570 -0.064 0.000 2.194 84 I HA -0.277 3.892 4.170 -0.002 0.000 0.246 84 I C 2.712 178.716 176.117 -0.188 0.000 1.093 84 I CA 1.956 63.153 61.300 -0.172 0.000 1.355 84 I CB -0.229 37.684 38.000 -0.146 0.000 1.046 84 I HN 0.364 nan 8.210 nan 0.000 0.413 85 R N 0.501 120.937 120.500 -0.107 0.000 2.115 85 R HA -0.152 4.187 4.340 -0.002 0.000 0.226 85 R C 2.138 178.392 176.300 -0.075 0.000 1.100 85 R CA 1.227 57.271 56.100 -0.093 0.000 0.980 85 R CB -0.023 30.240 30.300 -0.063 0.000 0.875 85 R HN 0.377 nan 8.270 nan 0.000 0.445 86 E N -0.073 120.114 120.200 -0.021 0.000 2.031 86 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 86 E C 1.881 178.462 176.600 -0.032 0.000 0.994 86 E CA 1.413 57.850 56.400 0.061 0.000 0.800 86 E CB -0.099 29.726 29.700 0.210 0.000 0.752 86 E HN 0.439 nan 8.360 nan 0.000 0.447 87 A N 1.070 123.700 122.820 -0.317 0.000 1.828 87 A HA -0.183 4.136 4.320 -0.002 0.000 0.215 87 A C 2.183 179.349 177.584 -0.696 0.000 1.203 87 A CA 1.333 52.749 52.037 -1.035 0.000 0.614 87 A CB -0.910 16.969 19.000 -1.868 0.000 0.844 87 A HN 0.176 nan 8.150 nan 0.000 0.445 88 L N -0.532 120.374 121.223 -0.527 0.000 2.201 88 L HA -0.113 4.226 4.340 -0.002 0.000 0.212 88 L C 2.227 179.032 176.870 -0.108 0.000 1.105 88 L CA 0.834 55.502 54.840 -0.288 0.000 0.775 88 L CB -0.431 41.464 42.059 -0.272 0.000 0.913 88 L HN 0.294 nan 8.230 nan 0.000 0.440 89 V N -1.408 118.450 119.914 -0.093 0.000 2.627 89 V HA -0.056 4.063 4.120 -0.002 0.000 0.239 89 V C 1.901 178.002 176.094 0.012 0.000 1.077 89 V CA 0.918 63.204 62.300 -0.023 0.000 1.103 89 V CB -0.233 31.578 31.823 -0.020 0.000 0.802 89 V HN 0.262 nan 8.190 nan 0.000 0.482 90 D N 0.592 121.001 120.400 0.014 0.000 2.077 90 D HA -0.143 4.496 4.640 -0.002 0.000 0.197 90 D C 1.449 177.802 176.300 0.089 0.000 0.983 90 D CA 1.173 55.206 54.000 0.055 0.000 0.841 90 D CB -0.267 40.578 40.800 0.075 0.000 0.992 90 D HN 0.393 nan 8.370 nan 0.000 0.450 91 Q N 0.553 120.427 119.800 0.123 0.000 3.181 91 Q HA 0.352 4.691 4.340 -0.002 0.000 0.293 91 Q C 0.685 176.829 176.000 0.241 0.000 1.406 91 Q CA -0.546 55.386 55.803 0.215 0.000 1.026 91 Q CB 0.755 29.712 28.738 0.365 0.000 1.630 91 Q HN 0.181 nan 8.270 nan 0.000 0.553 92 A N 1.191 124.096 122.820 0.142 0.000 1.832 92 A HA -0.227 4.092 4.320 -0.002 0.000 0.214 92 A C 1.893 179.563 177.584 0.143 0.000 1.200 92 A CA 1.571 53.681 52.037 0.121 0.000 0.610 92 A CB -0.192 18.862 19.000 0.089 0.000 0.842 92 A HN 0.558 nan 8.150 nan 0.000 0.444 93 E N -0.064 120.206 120.200 0.117 0.000 2.110 93 E HA -0.064 4.285 4.350 -0.002 0.000 0.193 93 E C 1.954 178.595 176.600 0.068 0.000 0.988 93 E CA 1.362 57.822 56.400 0.099 0.000 0.804 93 E CB -0.385 29.364 29.700 0.081 0.000 0.745 93 E HN 0.495 nan 8.360 nan 0.000 0.458 94 A N -0.745 122.119 122.820 0.073 0.000 2.024 94 A HA -0.138 4.181 4.320 -0.002 0.000 0.220 94 A C 1.510 178.984 177.584 -0.184 0.000 1.164 94 A CA 1.208 53.221 52.037 -0.041 0.000 0.643 94 A CB -0.462 18.537 19.000 -0.001 0.000 0.806 94 A HN 0.373 nan 8.150 nan 0.000 0.451 95 F N -0.701 119.223 119.950 -0.043 0.000 2.654 95 F HA 0.110 4.636 4.527 -0.002 0.000 0.303 95 F C 2.112 177.926 175.800 0.024 0.000 1.099 95 F CA 0.456 58.429 58.000 -0.045 0.000 1.270 95 F CB 0.451 39.385 39.000 -0.111 0.000 1.024 95 F HN 0.247 nan 8.300 nan 0.000 0.548 96 S N -0.772 114.974 115.700 0.077 0.000 2.555 96 S HA 0.090 4.559 4.470 -0.002 0.000 0.230 96 S C 1.263 175.639 174.600 -0.373 0.000 0.978 96 S CA 0.334 58.480 58.200 -0.090 0.000 0.934 96 S CB -0.603 62.578 63.200 -0.033 0.000 0.766 96 S HN 0.166 nan 8.310 nan 0.000 0.533 97 G N 1.009 109.655 108.800 -0.257 0.000 2.476 97 G HA2 0.526 4.485 3.960 -0.002 0.000 0.269 97 G HA3 0.526 4.485 3.960 -0.002 0.000 0.269 97 G C -0.651 174.020 174.900 -0.383 0.000 1.195 97 G CA -1.018 43.883 45.100 -0.332 0.000 0.843 97 G HN 0.534 nan 8.290 nan 0.000 0.545 98 R N 0.512 120.778 120.500 -0.390 0.000 2.460 98 R HA 0.619 4.957 4.340 -0.002 0.000 0.303 98 R C 0.696 176.906 176.300 -0.150 0.000 0.968 98 R CA 0.050 55.945 56.100 -0.342 0.000 0.889 98 R CB 1.142 31.209 30.300 -0.389 0.000 1.123 98 R HN 0.645 nan 8.270 nan 0.000 0.455 99 G N 2.374 111.117 108.800 -0.095 0.000 2.509 99 G HA2 0.361 4.319 3.960 -0.002 0.000 0.269 99 G HA3 0.361 4.319 3.960 -0.002 0.000 0.269 99 G C -1.029 173.889 174.900 0.031 0.000 1.416 99 G CA -0.653 44.435 45.100 -0.020 0.000 1.052 99 G HN 0.683 nan 8.290 nan 0.000 0.542 100 K N -1.591 118.823 120.400 0.024 0.000 2.482 100 K HA 0.579 4.898 4.320 -0.002 0.000 0.257 100 K C -1.426 175.167 176.600 -0.011 0.000 0.969 100 K CA -0.989 55.283 56.287 -0.025 0.000 0.842 100 K CB 2.251 34.696 32.500 -0.092 0.000 1.359 100 K HN 0.154 nan 8.250 nan 0.000 0.441 101 I N 2.595 123.113 120.570 -0.087 0.000 2.307 101 I HA 0.121 4.290 4.170 -0.002 0.000 0.287 101 I C 1.373 177.497 176.117 0.011 0.000 1.054 101 I CA -0.355 60.947 61.300 0.004 0.000 1.218 101 I CB 0.204 38.227 38.000 0.038 0.000 1.398 101 I HN 1.027 nan 8.210 nan 0.000 0.475 102 A N 6.473 129.348 122.820 0.092 0.000 1.958 102 A HA -0.174 4.145 4.320 -0.002 0.000 0.221 102 A C 2.031 179.704 177.584 0.147 0.000 1.178 102 A CA 2.334 54.473 52.037 0.169 0.000 0.642 102 A CB -0.524 18.647 19.000 0.285 0.000 0.816 102 A HN 0.612 nan 8.150 nan 0.000 0.453 103 V N -0.844 119.096 119.914 0.044 0.000 2.626 103 V HA -0.132 3.987 4.120 -0.002 0.000 0.252 103 V C 2.019 178.106 176.094 -0.011 0.000 1.067 103 V CA 1.675 63.890 62.300 -0.140 0.000 1.081 103 V CB -1.277 30.460 31.823 -0.142 0.000 0.686 103 V HN 0.726 nan 8.190 nan 0.000 0.468 104 V N -3.617 116.327 119.914 0.050 0.000 3.477 104 V HA 0.335 4.454 4.120 -0.002 0.000 0.297 104 V C 1.559 177.732 176.094 0.131 0.000 1.433 104 V CA 0.692 63.077 62.300 0.142 0.000 1.052 104 V CB 0.221 32.218 31.823 0.291 0.000 0.895 104 V HN 0.342 nan 8.190 nan 0.000 0.438 105 D N 1.963 122.377 120.400 0.023 0.000 2.144 105 D HA 0.005 4.644 4.640 -0.002 0.000 0.200 105 D C -0.358 176.003 176.300 0.102 0.000 0.978 105 D CA 1.563 55.564 54.000 0.002 0.000 0.833 105 D CB -0.792 39.976 40.800 -0.053 0.000 0.961 105 D HN 0.365 nan 8.370 nan 0.000 0.470 106 P HA -0.188 nan 4.420 nan 0.000 0.218 106 P C 1.333 178.755 177.300 0.204 0.000 1.152 106 P CA 0.984 64.189 63.100 0.176 0.000 0.857 106 P CB 0.012 31.837 31.700 0.209 0.000 0.787 107 I N -2.917 117.734 120.570 0.135 0.000 2.277 107 I HA -0.136 4.033 4.170 -0.002 0.000 0.243 107 I C 2.220 178.235 176.117 -0.170 0.000 1.094 107 I CA 1.608 62.848 61.300 -0.100 0.000 1.393 107 I CB -1.134 36.693 38.000 -0.289 0.000 1.078 107 I HN -0.088 nan 8.210 nan 0.000 0.417 108 F N 0.554 120.538 119.950 0.057 0.000 2.220 108 F HA 0.052 4.578 4.527 -0.002 0.000 0.290 108 F C 1.234 177.149 175.800 0.191 0.000 1.080 108 F CA 0.165 58.238 58.000 0.121 0.000 1.318 108 F CB -0.391 38.653 39.000 0.074 0.000 1.063 108 F HN 0.053 nan 8.300 nan 0.000 0.498 109 Q N 0.229 120.193 119.800 0.273 0.000 2.451 109 Q HA -0.224 4.115 4.340 -0.002 0.000 0.305 109 Q C 1.042 177.170 176.000 0.214 0.000 1.345 109 Q CA 0.350 56.291 55.803 0.230 0.000 0.854 109 Q CB -1.862 27.038 28.738 0.269 0.000 1.162 109 Q HN 0.752 nan 8.270 nan 0.000 0.440 110 G N -1.768 107.129 108.800 0.163 0.000 2.153 110 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.252 110 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.252 110 G C -0.345 174.560 174.900 0.007 0.000 0.994 110 G CA 0.541 45.674 45.100 0.055 0.000 0.698 110 G HN 0.459 nan 8.290 nan 0.000 0.521 111 Y N -0.037 120.417 120.300 0.257 0.000 2.528 111 Y HA 0.564 5.113 4.550 -0.001 0.000 0.335 111 Y C 1.047 177.155 175.900 0.346 0.000 1.093 111 Y CA 0.177 58.426 58.100 0.249 0.000 1.134 111 Y CB 1.971 40.546 38.460 0.192 0.000 1.253 111 Y HN 1.138 nan 8.280 nan 0.000 0.478 112 G N 0.127 109.195 108.800 0.447 0.000 2.758 112 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.686 112 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.686 112 G C 0.318 175.374 174.900 0.258 0.000 1.389 112 G CA -0.352 44.958 45.100 0.350 0.000 0.845 112 G HN 0.892 nan 8.290 nan 0.000 0.572 113 V N 1.365 121.392 119.914 0.188 0.000 2.270 113 V HA -0.110 4.009 4.120 -0.002 0.000 0.245 113 V C 2.811 178.961 176.094 0.094 0.000 1.043 113 V CA 2.844 65.243 62.300 0.165 0.000 1.014 113 V CB -0.859 31.045 31.823 0.136 0.000 0.645 113 V HN 0.681 nan 8.190 nan 0.000 0.447 114 I N -0.420 120.070 120.570 -0.134 0.000 2.113 114 I HA -0.293 3.876 4.170 -0.002 0.000 0.242 114 I C 2.000 177.781 176.117 -0.560 0.000 1.064 114 I CA 2.258 63.253 61.300 -0.507 0.000 1.320 114 I CB -0.439 36.944 38.000 -1.027 0.000 1.028 114 I HN 0.319 nan 8.210 nan 0.000 0.406 115 F N 0.599 120.480 119.950 -0.115 0.000 2.727 115 F HA 0.374 4.900 4.527 -0.002 0.000 0.302 115 F C 1.385 177.158 175.800 -0.045 0.000 1.097 115 F CA -0.397 57.532 58.000 -0.118 0.000 1.330 115 F CB -0.683 38.234 39.000 -0.139 0.000 1.084 115 F HN -0.129 nan 8.300 nan 0.000 0.578 116 A N 0.699 123.618 122.820 0.166 0.000 2.425 116 A HA 0.331 4.650 4.320 -0.002 0.000 0.242 116 A C 0.353 177.988 177.584 0.084 0.000 1.077 116 A CA -0.012 52.116 52.037 0.151 0.000 0.781 116 A CB 0.139 19.287 19.000 0.246 0.000 1.020 116 A HN 0.322 nan 8.150 nan 0.000 0.494 117 N N -0.840 117.903 118.700 0.073 0.000 2.509 117 N HA 0.538 5.277 4.740 -0.002 0.000 0.280 117 N C 0.779 176.366 175.510 0.128 0.000 1.306 117 N CA 0.316 53.386 53.050 0.033 0.000 0.782 117 N CB 1.924 40.381 38.487 -0.050 0.000 1.493 117 N HN 1.141 nan 8.380 nan 0.000 0.498 118 G N 1.539 110.417 108.800 0.130 0.000 2.665 118 G HA2 -0.415 3.544 3.960 -0.002 0.000 0.326 118 G HA3 -0.415 3.544 3.960 -0.002 0.000 0.326 118 G C 0.915 175.935 174.900 0.201 0.000 1.231 118 G CA 1.411 46.602 45.100 0.152 0.000 0.992 118 G HN 0.641 nan 8.290 nan 0.000 0.549 119 E N 0.398 120.668 120.200 0.118 0.000 2.112 119 E HA 0.030 4.379 4.350 -0.002 0.000 0.190 119 E C 2.508 179.155 176.600 0.079 0.000 0.979 119 E CA 1.686 58.140 56.400 0.090 0.000 0.814 119 E CB -0.362 29.375 29.700 0.061 0.000 0.762 119 E HN 0.548 nan 8.360 nan 0.000 0.460 120 R N -0.847 119.702 120.500 0.083 0.000 2.073 120 R HA -0.165 4.174 4.340 -0.002 0.000 0.234 120 R C 2.085 178.429 176.300 0.073 0.000 1.134 120 R CA 1.684 57.815 56.100 0.052 0.000 0.952 120 R CB -0.701 29.622 30.300 0.039 0.000 0.850 120 R HN 0.342 nan 8.270 nan 0.000 0.433 121 W N 1.577 122.862 121.300 -0.024 0.000 2.322 121 W HA -0.217 4.442 4.660 -0.002 0.000 0.326 121 W C 2.263 178.783 176.519 0.002 0.000 1.224 121 W CA 1.997 59.332 57.345 -0.018 0.000 1.257 121 W CB -0.583 28.860 29.460 -0.030 0.000 1.174 121 W HN -0.009 nan 8.180 nan 0.000 0.460 122 R N 0.046 120.419 120.500 -0.212 0.000 2.140 122 R HA -0.244 4.095 4.340 -0.002 0.000 0.250 122 R C 2.396 178.532 176.300 -0.273 0.000 1.150 122 R CA 2.536 58.404 56.100 -0.386 0.000 0.966 122 R CB -0.996 29.249 30.300 -0.092 0.000 0.869 122 R HN 0.332 nan 8.270 nan 0.000 0.445 123 A N 0.006 122.752 122.820 -0.123 0.000 1.872 123 A HA -0.072 4.247 4.320 -0.002 0.000 0.214 123 A C 2.122 179.680 177.584 -0.044 0.000 1.187 123 A CA 0.996 53.020 52.037 -0.022 0.000 0.614 123 A CB -0.401 18.615 19.000 0.027 0.000 0.826 123 A HN 0.239 nan 8.150 nan 0.000 0.442 124 L N -1.223 119.905 121.223 -0.158 0.000 2.072 124 L HA -0.107 4.232 4.340 -0.002 0.000 0.205 124 L C 2.780 179.649 176.870 -0.002 0.000 1.079 124 L CA 1.428 56.196 54.840 -0.121 0.000 0.752 124 L CB -0.400 41.610 42.059 -0.082 0.000 0.906 124 L HN 0.480 nan 8.230 nan 0.000 0.436 125 R N 0.610 120.977 120.500 -0.222 0.000 2.096 125 R HA -0.260 4.079 4.340 -0.002 0.000 0.229 125 R C 2.446 178.684 176.300 -0.102 0.000 1.134 125 R CA 2.088 58.043 56.100 -0.243 0.000 0.917 125 R CB -0.321 29.582 30.300 -0.661 0.000 0.832 125 R HN 0.112 nan 8.270 nan 0.000 0.430 126 R N -0.430 119.982 120.500 -0.147 0.000 2.189 126 R HA -0.276 4.063 4.340 -0.002 0.000 0.252 126 R C 2.174 178.523 176.300 0.081 0.000 1.134 126 R CA 2.525 58.603 56.100 -0.038 0.000 0.954 126 R CB -0.792 29.490 30.300 -0.030 0.000 0.890 126 R HN 0.435 nan 8.270 nan 0.000 0.443 127 F N 0.820 120.791 119.950 0.034 0.000 2.126 127 F HA -0.185 4.341 4.527 -0.002 0.000 0.299 127 F C 2.079 177.925 175.800 0.076 0.000 1.096 127 F CA 2.067 60.123 58.000 0.093 0.000 1.255 127 F CB -0.083 39.078 39.000 0.268 0.000 0.997 127 F HN 0.062 nan 8.300 nan 0.000 0.479 128 S N 1.008 116.779 115.700 0.118 0.000 2.414 128 S HA -0.048 4.421 4.470 -0.002 0.000 0.227 128 S C 2.018 176.628 174.600 0.017 0.000 1.022 128 S CA 0.920 59.192 58.200 0.119 0.000 0.958 128 S CB -0.469 62.898 63.200 0.279 0.000 0.797 128 S HN 0.362 nan 8.310 nan 0.000 0.493 129 L N 1.576 122.791 121.223 -0.013 0.000 1.970 129 L HA -0.201 4.138 4.340 -0.002 0.000 0.212 129 L C 2.972 179.805 176.870 -0.061 0.000 1.071 129 L CA 1.546 56.365 54.840 -0.036 0.000 0.751 129 L CB -0.934 41.098 42.059 -0.044 0.000 0.889 129 L HN 0.368 nan 8.230 nan 0.000 0.432 130 A N -0.724 122.044 122.820 -0.086 0.000 1.917 130 A HA -0.224 4.095 4.320 -0.002 0.000 0.219 130 A C 2.297 179.815 177.584 -0.110 0.000 1.182 130 A CA 2.564 54.545 52.037 -0.094 0.000 0.633 130 A CB -0.913 18.036 19.000 -0.085 0.000 0.819 130 A HN 0.455 nan 8.150 nan 0.000 0.448 131 T N -0.718 113.695 114.554 -0.235 0.000 3.014 131 T HA 0.065 4.414 4.350 -0.002 0.000 0.263 131 T C 1.857 176.560 174.700 0.005 0.000 1.078 131 T CA 1.304 63.260 62.100 -0.239 0.000 1.135 131 T CB -0.165 68.132 68.868 -0.951 0.000 0.895 131 T HN 0.423 nan 8.240 nan 0.000 0.480 132 M N 0.647 120.263 119.600 0.025 0.000 2.193 132 M HA 0.038 4.517 4.480 -0.002 0.000 0.265 132 M C 2.393 178.701 176.300 0.013 0.000 1.071 132 M CA 1.286 56.628 55.300 0.069 0.000 1.140 132 M CB -0.170 32.470 32.600 0.067 0.000 1.369 132 M HN 0.083 nan 8.290 nan 0.000 0.423 133 R N -0.010 120.472 120.500 -0.030 0.000 2.117 133 R HA -0.188 4.151 4.340 -0.002 0.000 0.243 133 R C 1.622 177.854 176.300 -0.113 0.000 1.143 133 R CA 1.577 57.637 56.100 -0.066 0.000 0.968 133 R CB -0.478 29.775 30.300 -0.080 0.000 0.863 133 R HN 0.362 nan 8.270 nan 0.000 0.444 134 D N -0.340 119.959 120.400 -0.168 0.000 2.566 134 D HA 0.064 4.703 4.640 -0.002 0.000 0.253 134 D C -0.103 175.947 176.300 -0.417 0.000 0.992 134 D CA 0.446 54.206 54.000 -0.399 0.000 0.940 134 D CB 0.337 40.705 40.800 -0.720 0.000 1.095 134 D HN -0.057 nan 8.370 nan 0.000 0.480 135 F N -0.261 119.658 119.950 -0.052 0.000 2.425 135 F HA 0.664 5.189 4.527 -0.002 0.000 0.331 135 F C 1.054 176.848 175.800 -0.009 0.000 1.085 135 F CA -0.282 57.699 58.000 -0.032 0.000 1.028 135 F CB 2.287 41.263 39.000 -0.041 0.000 1.177 135 F HN 0.036 nan 8.300 nan 0.000 0.487 136 G N 1.142 110.053 108.800 0.184 0.000 2.320 136 G HA2 0.191 4.150 3.960 -0.002 0.000 0.297 136 G HA3 0.191 4.150 3.960 -0.002 0.000 0.297 136 G C -1.499 173.447 174.900 0.077 0.000 1.344 136 G CA -1.309 43.858 45.100 0.113 0.000 0.851 136 G HN 0.669 nan 8.290 nan 0.000 0.567 137 M N 1.627 121.260 119.600 0.055 0.000 2.487 137 M HA 0.290 4.769 4.480 -0.002 0.000 0.398 137 M C 1.505 177.818 176.300 0.022 0.000 1.685 137 M CA 2.488 57.807 55.300 0.032 0.000 0.988 137 M CB -0.675 31.930 32.600 0.007 0.000 2.129 137 M HN 2.404 nan 8.290 nan 0.000 0.485 138 G N 4.382 113.195 108.800 0.022 0.000 2.162 138 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.260 138 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.260 138 G C 0.301 175.208 174.900 0.012 0.000 0.976 138 G CA 0.577 45.685 45.100 0.014 0.000 0.655 138 G HN 0.964 nan 8.290 nan 0.000 0.533 139 K N -0.917 119.494 120.400 0.019 0.000 3.162 139 K HA -0.200 4.119 4.320 -0.002 0.000 0.268 139 K C 0.298 176.887 176.600 -0.018 0.000 1.062 139 K CA 1.561 57.848 56.287 0.000 0.000 0.769 139 K CB -1.028 31.473 32.500 0.001 0.000 1.274 139 K HN 0.842 nan 8.250 nan 0.000 0.478 140 R N 0.145 120.637 120.500 -0.014 0.000 2.892 140 R HA 0.384 4.723 4.340 -0.002 0.000 0.265 140 R C 0.055 176.339 176.300 -0.026 0.000 1.025 140 R CA -0.408 55.682 56.100 -0.017 0.000 0.982 140 R CB 1.417 31.715 30.300 -0.003 0.000 1.185 140 R HN 0.315 nan 8.270 nan 0.000 0.484 141 S N -0.155 115.528 115.700 -0.028 0.000 2.585 141 S HA 0.057 4.526 4.470 -0.002 0.000 0.273 141 S C 1.534 176.123 174.600 -0.020 0.000 1.339 141 S CA -0.930 57.249 58.200 -0.034 0.000 1.028 141 S CB 1.167 64.346 63.200 -0.035 0.000 0.906 141 S HN 0.381 nan 8.310 nan 0.000 0.528 142 V N 1.674 121.575 119.914 -0.021 0.000 2.250 142 V HA -0.310 3.809 4.120 -0.002 0.000 0.253 142 V C 2.685 178.772 176.094 -0.012 0.000 1.065 142 V CA 2.561 64.854 62.300 -0.011 0.000 1.039 142 V CB -1.327 30.486 31.823 -0.016 0.000 0.647 142 V HN 1.085 nan 8.190 nan 0.000 0.446 143 E N 0.187 120.375 120.200 -0.020 0.000 2.055 143 E HA -0.335 4.014 4.350 -0.002 0.000 0.209 143 E C 2.204 178.799 176.600 -0.008 0.000 1.036 143 E CA 2.240 58.630 56.400 -0.018 0.000 0.849 143 E CB -0.292 29.400 29.700 -0.012 0.000 0.767 143 E HN 0.728 nan 8.360 nan 0.000 0.461 144 E N -0.306 119.892 120.200 -0.002 0.000 2.171 144 E HA -0.245 4.104 4.350 -0.002 0.000 0.197 144 E C 2.321 178.932 176.600 0.018 0.000 0.997 144 E CA 1.156 57.561 56.400 0.008 0.000 0.810 144 E CB -0.068 29.634 29.700 0.004 0.000 0.738 144 E HN 0.221 nan 8.360 nan 0.000 0.467 145 R N 0.116 120.627 120.500 0.018 0.000 2.073 145 R HA -0.022 4.317 4.340 -0.002 0.000 0.229 145 R C 2.384 178.720 176.300 0.060 0.000 1.120 145 R CA 0.856 56.979 56.100 0.038 0.000 0.967 145 R CB -0.081 30.242 30.300 0.040 0.000 0.862 145 R HN 0.160 nan 8.270 nan 0.000 0.436 146 I N 0.905 121.491 120.570 0.026 0.000 2.226 146 I HA -0.329 3.840 4.170 -0.002 0.000 0.245 146 I C 2.286 178.402 176.117 -0.003 0.000 1.100 146 I CA 1.426 62.715 61.300 -0.018 0.000 1.374 146 I CB -0.406 37.489 38.000 -0.175 0.000 1.057 146 I HN 0.262 nan 8.210 nan 0.000 0.413 147 Q N 0.535 120.334 119.800 -0.001 0.000 2.062 147 Q HA -0.263 4.076 4.340 -0.002 0.000 0.209 147 Q C 2.234 178.286 176.000 0.087 0.000 0.996 147 Q CA 1.698 57.523 55.803 0.036 0.000 0.859 147 Q CB -0.182 28.574 28.738 0.030 0.000 0.920 147 Q HN 0.431 nan 8.270 nan 0.000 0.415 148 E N 0.539 120.788 120.200 0.083 0.000 2.077 148 E HA -0.202 4.147 4.350 -0.002 0.000 0.193 148 E C 1.842 178.525 176.600 0.138 0.000 0.989 148 E CA 1.069 57.523 56.400 0.091 0.000 0.800 148 E CB -0.148 29.589 29.700 0.062 0.000 0.746 148 E HN 0.273 nan 8.360 nan 0.000 0.452 149 E N 0.803 121.118 120.200 0.192 0.000 2.051 149 E HA -0.076 4.273 4.350 -0.002 0.000 0.192 149 E C 1.896 178.694 176.600 0.331 0.000 0.991 149 E CA 1.384 57.945 56.400 0.268 0.000 0.799 149 E CB -0.371 29.553 29.700 0.373 0.000 0.748 149 E HN 0.183 nan 8.360 nan 0.000 0.449 150 A N 0.791 123.860 122.820 0.414 0.000 1.940 150 A HA -0.219 4.100 4.320 -0.002 0.000 0.219 150 A C 2.279 179.997 177.584 0.223 0.000 1.176 150 A CA 1.795 54.065 52.037 0.389 0.000 0.631 150 A CB -0.602 18.592 19.000 0.323 0.000 0.814 150 A HN 0.219 nan 8.150 nan 0.000 0.446 151 R N -0.787 119.818 120.500 0.175 0.000 2.152 151 R HA -0.135 4.204 4.340 -0.002 0.000 0.232 151 R C 1.886 178.276 176.300 0.149 0.000 1.117 151 R CA 1.642 57.825 56.100 0.137 0.000 0.981 151 R CB -0.494 29.869 30.300 0.104 0.000 0.870 151 R HN 0.627 nan 8.270 nan 0.000 0.451 152 C N -0.011 119.401 119.300 0.186 0.000 2.467 152 C HA 0.002 4.461 4.460 -0.002 0.000 0.279 152 C C 2.384 177.525 174.990 0.253 0.000 1.347 152 C CA -0.213 58.950 59.018 0.242 0.000 1.748 152 C CB -0.777 27.129 27.740 0.277 0.000 1.977 152 C HN 0.480 nan 8.230 nan 0.000 0.501 153 L N 1.142 122.465 121.223 0.166 0.000 2.017 153 L HA -0.073 4.266 4.340 -0.002 0.000 0.208 153 L C 2.492 179.334 176.870 -0.047 0.000 1.073 153 L CA 1.940 56.754 54.840 -0.044 0.000 0.745 153 L CB -0.850 41.147 42.059 -0.104 0.000 0.894 153 L HN 0.183 nan 8.230 nan 0.000 0.432 154 V N -0.117 119.853 119.914 0.094 0.000 2.255 154 V HA -0.314 3.805 4.120 -0.002 0.000 0.247 154 V C 2.641 178.853 176.094 0.197 0.000 1.051 154 V CA 2.112 64.553 62.300 0.236 0.000 1.018 154 V CB -0.679 31.297 31.823 0.254 0.000 0.641 154 V HN 0.573 nan 8.190 nan 0.000 0.445 155 E N -0.262 120.021 120.200 0.138 0.000 2.097 155 E HA -0.323 4.026 4.350 -0.002 0.000 0.196 155 E C 2.214 178.858 176.600 0.073 0.000 1.000 155 E CA 1.873 58.342 56.400 0.115 0.000 0.804 155 E CB 0.005 29.771 29.700 0.110 0.000 0.740 155 E HN 0.632 nan 8.360 nan 0.000 0.454 156 E N 0.475 120.689 120.200 0.023 0.000 2.072 156 E HA -0.135 4.214 4.350 -0.002 0.000 0.191 156 E C 2.177 178.698 176.600 -0.132 0.000 0.985 156 E CA 0.868 57.231 56.400 -0.063 0.000 0.801 156 E CB -0.237 29.335 29.700 -0.214 0.000 0.750 156 E HN 0.260 nan 8.360 nan 0.000 0.452 157 L N 0.188 121.283 121.223 -0.213 0.000 2.017 157 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 157 L C 2.651 179.446 176.870 -0.126 0.000 1.073 157 L CA 1.444 56.060 54.840 -0.372 0.000 0.745 157 L CB -0.409 41.111 42.059 -0.898 0.000 0.894 157 L HN 0.118 nan 8.230 nan 0.000 0.432 158 R N 0.225 120.800 120.500 0.125 0.000 2.119 158 R HA -0.243 4.096 4.340 -0.002 0.000 0.246 158 R C 2.250 178.606 176.300 0.092 0.000 1.146 158 R CA 1.576 57.802 56.100 0.211 0.000 0.962 158 R CB -0.478 29.940 30.300 0.196 0.000 0.863 158 R HN 0.390 nan 8.270 nan 0.000 0.442 159 K N 0.561 120.985 120.400 0.041 0.000 2.152 159 K HA -0.086 4.233 4.320 -0.002 0.000 0.206 159 K C 1.853 178.457 176.600 0.007 0.000 1.048 159 K CA 1.669 57.970 56.287 0.023 0.000 0.933 159 K CB -0.013 32.493 32.500 0.012 0.000 0.721 159 K HN 0.201 nan 8.250 nan 0.000 0.447 160 S N 0.336 116.026 115.700 -0.016 0.000 2.710 160 S HA 0.131 4.600 4.470 -0.002 0.000 0.224 160 S C 0.179 174.782 174.600 0.005 0.000 0.948 160 S CA -0.196 57.992 58.200 -0.021 0.000 0.949 160 S CB -0.053 63.113 63.200 -0.057 0.000 0.778 160 S HN 0.153 nan 8.310 nan 0.000 0.498 161 K N 0.542 120.962 120.400 0.034 0.000 2.948 161 K HA -0.228 4.091 4.320 -0.002 0.000 0.253 161 K C 0.991 177.623 176.600 0.054 0.000 0.970 161 K CA 0.500 56.819 56.287 0.052 0.000 0.716 161 K CB -1.845 30.676 32.500 0.035 0.000 1.249 161 K HN 1.003 nan 8.250 nan 0.000 0.483 162 G N -2.008 106.830 108.800 0.063 0.000 2.176 162 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.253 162 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.253 162 G C 0.246 175.154 174.900 0.013 0.000 0.979 162 G CA 0.307 45.440 45.100 0.055 0.000 0.641 162 G HN 0.826 nan 8.290 nan 0.000 0.530 163 A N 0.312 123.133 122.820 0.002 0.000 2.425 163 A HA 0.608 4.927 4.320 -0.002 0.000 0.242 163 A C 0.945 178.509 177.584 -0.033 0.000 1.077 163 A CA -0.031 51.996 52.037 -0.017 0.000 0.781 163 A CB 0.287 19.275 19.000 -0.020 0.000 1.020 163 A HN 0.884 nan 8.150 nan 0.000 0.494 164 L N 1.523 122.719 121.223 -0.045 0.000 2.455 164 L HA 0.249 4.588 4.340 -0.002 0.000 0.272 164 L C -0.256 176.570 176.870 -0.074 0.000 1.174 164 L CA 0.137 54.939 54.840 -0.064 0.000 0.869 164 L CB 0.014 42.039 42.059 -0.057 0.000 1.130 164 L HN 0.737 nan 8.230 nan 0.000 0.474 165 L N 1.182 122.347 121.223 -0.096 0.000 2.322 165 L HA 0.654 4.993 4.340 -0.002 0.000 0.252 165 L C -0.658 176.100 176.870 -0.187 0.000 1.055 165 L CA -0.854 53.910 54.840 -0.127 0.000 0.849 165 L CB 1.356 43.338 42.059 -0.127 0.000 1.446 165 L HN 0.340 nan 8.230 nan 0.000 0.416 166 D N 0.640 120.898 120.400 -0.235 0.000 2.233 166 D HA 0.153 4.792 4.640 -0.002 0.000 0.240 166 D C -0.113 175.923 176.300 -0.440 0.000 1.074 166 D CA -0.332 53.462 54.000 -0.343 0.000 0.838 166 D CB 1.322 41.946 40.800 -0.293 0.000 1.124 166 D HN 0.797 nan 8.370 nan 0.000 0.475 167 N N 2.601 120.933 118.700 -0.613 0.000 2.398 167 N HA -0.096 4.643 4.740 -0.002 0.000 0.188 167 N C 0.952 175.973 175.510 -0.815 0.000 1.122 167 N CA -0.030 52.545 53.050 -0.792 0.000 0.866 167 N CB -0.146 37.646 38.487 -1.158 0.000 0.970 167 N HN 0.271 nan 8.380 nan 0.000 0.462 168 T N 1.709 115.872 114.554 -0.651 0.000 2.624 168 T HA -0.168 4.181 4.350 -0.002 0.000 0.268 168 T C 1.835 176.101 174.700 -0.725 0.000 1.041 168 T CA 1.273 62.965 62.100 -0.681 0.000 1.159 168 T CB -0.247 68.232 68.868 -0.648 0.000 0.863 168 T HN 0.143 nan 8.240 nan 0.000 0.434 169 L N 0.373 121.294 121.223 -0.503 0.000 1.994 169 L HA 0.043 4.382 4.340 -0.002 0.000 0.208 169 L C 2.381 179.098 176.870 -0.255 0.000 1.071 169 L CA 1.474 56.105 54.840 -0.349 0.000 0.745 169 L CB -0.534 41.368 42.059 -0.261 0.000 0.892 169 L HN 0.235 nan 8.230 nan 0.000 0.431 170 L N -1.811 119.240 121.223 -0.286 0.000 2.079 170 L HA -0.258 4.081 4.340 -0.002 0.000 0.210 170 L C 2.368 179.235 176.870 -0.006 0.000 1.081 170 L CA 1.010 55.718 54.840 -0.222 0.000 0.752 170 L CB -0.510 41.352 42.059 -0.329 0.000 0.896 170 L HN 0.224 nan 8.230 nan 0.000 0.433 171 F N -0.488 119.248 119.950 -0.355 0.000 2.146 171 F HA -0.159 4.367 4.527 -0.002 0.000 0.298 171 F C 2.753 178.487 175.800 -0.109 0.000 1.096 171 F CA 0.888 58.723 58.000 -0.275 0.000 1.275 171 F CB -1.093 37.760 39.000 -0.245 0.000 1.008 171 F HN 0.146 nan 8.300 nan 0.000 0.480 172 H N -0.144 118.958 119.070 0.052 0.000 2.265 172 H HA -0.127 4.428 4.556 -0.002 0.000 0.295 172 H C 2.417 177.786 175.328 0.068 0.000 1.084 172 H CA 1.513 57.566 56.048 0.008 0.000 1.261 172 H CB -1.167 28.556 29.762 -0.065 0.000 1.360 172 H HN 0.085 nan 8.280 nan 0.000 0.487 173 S N 1.069 116.898 115.700 0.215 0.000 2.372 173 S HA -0.191 4.278 4.470 -0.002 0.000 0.227 173 S C 2.375 177.232 174.600 0.429 0.000 1.044 173 S CA 1.881 60.329 58.200 0.413 0.000 1.050 173 S CB -0.626 62.884 63.200 0.518 0.000 0.901 173 S HN 0.646 nan 8.310 nan 0.000 0.447 174 I N 1.108 121.795 120.570 0.194 0.000 2.500 174 I HA -0.051 4.118 4.170 -0.002 0.000 0.252 174 I C 2.434 178.590 176.117 0.065 0.000 1.142 174 I CA 1.436 62.773 61.300 0.063 0.000 1.451 174 I CB -1.232 36.528 38.000 -0.401 0.000 1.093 174 I HN 0.313 nan 8.210 nan 0.000 0.430 175 T N -2.090 112.506 114.554 0.069 0.000 2.904 175 T HA -0.087 4.262 4.350 -0.002 0.000 0.267 175 T C 2.036 176.865 174.700 0.216 0.000 1.059 175 T CA 1.403 63.604 62.100 0.169 0.000 1.137 175 T CB -0.472 68.477 68.868 0.135 0.000 0.879 175 T HN 0.390 nan 8.240 nan 0.000 0.467 176 S N 1.506 117.362 115.700 0.260 0.000 2.357 176 S HA -0.078 4.391 4.470 -0.002 0.000 0.221 176 S C 2.117 176.966 174.600 0.415 0.000 1.031 176 S CA 0.770 59.187 58.200 0.362 0.000 0.982 176 S CB -0.752 62.726 63.200 0.463 0.000 0.853 176 S HN 0.464 nan 8.310 nan 0.000 0.458 177 N N 1.611 120.526 118.700 0.358 0.000 2.513 177 N HA -0.046 4.693 4.740 -0.002 0.000 0.187 177 N C 1.445 177.066 175.510 0.185 0.000 1.056 177 N CA 0.646 53.829 53.050 0.222 0.000 0.907 177 N CB -0.337 38.222 38.487 0.121 0.000 0.954 177 N HN 0.417 nan 8.380 nan 0.000 0.445 178 I N 0.671 121.372 120.570 0.217 0.000 2.193 178 I HA -0.155 4.014 4.170 -0.002 0.000 0.240 178 I C 2.162 178.349 176.117 0.117 0.000 1.084 178 I CA 0.591 61.994 61.300 0.171 0.000 1.365 178 I CB -0.958 37.164 38.000 0.203 0.000 1.064 178 I HN 0.008 nan 8.210 nan 0.000 0.410 179 I N 1.175 121.829 120.570 0.141 0.000 2.127 179 I HA -0.319 3.850 4.170 -0.002 0.000 0.241 179 I C 2.930 179.019 176.117 -0.047 0.000 1.075 179 I CA 1.359 62.700 61.300 0.069 0.000 1.334 179 I CB -1.225 36.893 38.000 0.197 0.000 1.040 179 I HN 0.283 nan 8.210 nan 0.000 0.405 180 C N 0.097 119.450 119.300 0.087 0.000 2.391 180 C HA -0.197 4.262 4.460 -0.002 0.000 0.276 180 C C 3.299 178.303 174.990 0.023 0.000 1.217 180 C CA 1.604 60.684 59.018 0.103 0.000 1.766 180 C CB -1.208 26.757 27.740 0.375 0.000 2.046 180 C HN 0.585 nan 8.230 nan 0.000 0.475 181 S N -0.296 115.418 115.700 0.023 0.000 2.428 181 S HA 0.026 4.495 4.470 -0.002 0.000 0.230 181 S C 1.583 176.185 174.600 0.004 0.000 1.014 181 S CA 0.943 59.146 58.200 0.006 0.000 0.957 181 S CB -0.235 62.975 63.200 0.017 0.000 0.784 181 S HN 0.587 nan 8.310 nan 0.000 0.499 182 I N 0.267 120.825 120.570 -0.020 0.000 2.260 182 I HA -0.040 4.129 4.170 -0.002 0.000 0.237 182 I C 2.269 178.362 176.117 -0.040 0.000 1.075 182 I CA 0.742 62.038 61.300 -0.006 0.000 1.376 182 I CB -0.702 37.292 38.000 -0.011 0.000 1.107 182 I HN 0.162 nan 8.210 nan 0.000 0.420 183 V N 0.936 120.708 119.914 -0.238 0.000 2.229 183 V HA -0.235 3.884 4.120 -0.002 0.000 0.243 183 V C 1.846 177.662 176.094 -0.463 0.000 1.042 183 V CA 1.943 63.965 62.300 -0.463 0.000 1.000 183 V CB -0.569 30.687 31.823 -0.946 0.000 0.637 183 V HN 0.244 nan 8.190 nan 0.000 0.446 184 F N 1.007 120.884 119.950 -0.121 0.000 2.731 184 F HA 0.425 4.951 4.527 -0.002 0.000 0.304 184 F C 1.796 177.629 175.800 0.055 0.000 1.133 184 F CA 0.073 58.040 58.000 -0.055 0.000 1.380 184 F CB -1.230 37.762 39.000 -0.012 0.000 1.079 184 F HN 0.267 nan 8.300 nan 0.000 0.550 185 G N 1.371 110.249 108.800 0.130 0.000 2.361 185 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.294 185 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.294 185 G C 0.246 175.181 174.900 0.058 0.000 1.004 185 G CA 0.997 46.169 45.100 0.119 0.000 0.870 185 G HN 0.461 nan 8.290 nan 0.000 0.510 186 K N -1.040 119.357 120.400 -0.005 0.000 2.607 186 K HA 0.515 4.834 4.320 -0.002 0.000 0.287 186 K C -0.565 175.866 176.600 -0.282 0.000 0.996 186 K CA -0.750 55.451 56.287 -0.143 0.000 0.876 186 K CB 0.825 33.206 32.500 -0.199 0.000 1.496 186 K HN 0.660 nan 8.250 nan 0.000 0.415 187 R N 0.858 121.159 120.500 -0.332 0.000 2.664 187 R HA 0.617 4.956 4.340 -0.002 0.000 0.286 187 R C -0.945 174.998 176.300 -0.596 0.000 0.967 187 R CA -0.694 55.182 56.100 -0.373 0.000 0.933 187 R CB 0.761 30.944 30.300 -0.195 0.000 1.146 187 R HN 0.268 nan 8.270 nan 0.000 0.468 188 F N 0.924 120.612 119.950 -0.437 0.000 2.397 188 F HA 0.195 4.721 4.527 -0.002 0.000 0.331 188 F C 0.912 176.425 175.800 -0.478 0.000 1.090 188 F CA -0.500 57.186 58.000 -0.522 0.000 1.065 188 F CB 1.042 39.426 39.000 -1.026 0.000 1.184 188 F HN 0.601 nan 8.300 nan 0.000 0.499 189 D N 1.424 121.784 120.400 -0.067 0.000 2.339 189 D HA -0.057 4.582 4.640 -0.002 0.000 0.245 189 D C 0.636 176.966 176.300 0.050 0.000 1.115 189 D CA -0.093 53.835 54.000 -0.119 0.000 0.917 189 D CB 0.737 41.522 40.800 -0.026 0.000 1.192 189 D HN 0.491 nan 8.370 nan 0.000 0.428 190 Y N 1.811 122.234 120.300 0.205 0.000 2.384 190 Y HA -0.101 4.449 4.550 -0.001 0.000 0.289 190 Y C 2.273 178.280 175.900 0.179 0.000 1.152 190 Y CA 1.032 59.273 58.100 0.234 0.000 1.258 190 Y CB -0.064 38.466 38.460 0.117 0.000 0.979 190 Y HN 0.381 nan 8.280 nan 0.000 0.549 191 K N -0.580 119.975 120.400 0.259 0.000 2.360 191 K HA 0.015 4.334 4.320 -0.002 0.000 0.196 191 K C 0.031 176.708 176.600 0.128 0.000 1.049 191 K CA -0.065 56.314 56.287 0.153 0.000 1.049 191 K CB 0.355 32.922 32.500 0.112 0.000 0.881 191 K HN -0.038 nan 8.250 nan 0.000 0.542 192 D N 1.670 122.176 120.400 0.176 0.000 2.581 192 D HA -0.063 4.576 4.640 -0.002 0.000 0.238 192 D C -1.832 174.539 176.300 0.118 0.000 1.145 192 D CA -0.946 53.150 54.000 0.160 0.000 0.866 192 D CB 1.274 42.216 40.800 0.236 0.000 1.151 192 D HN 0.011 nan 8.370 nan 0.000 0.500 193 P HA -0.030 nan 4.420 nan 0.000 0.235 193 P C 1.667 178.945 177.300 -0.036 0.000 1.177 193 P CA -0.030 63.071 63.100 0.002 0.000 0.785 193 P CB 0.304 32.003 31.700 -0.001 0.000 0.885 194 V N -0.134 119.769 119.914 -0.018 0.000 2.282 194 V HA -0.264 3.855 4.120 -0.002 0.000 0.249 194 V C 2.220 178.196 176.094 -0.198 0.000 1.057 194 V CA 2.115 64.359 62.300 -0.094 0.000 1.032 194 V CB -1.361 30.431 31.823 -0.050 0.000 0.645 194 V HN 0.043 nan 8.190 nan 0.000 0.447 195 F N 0.086 119.829 119.950 -0.345 0.000 2.270 195 F HA 0.059 4.585 4.527 -0.001 0.000 0.295 195 F C 1.998 177.654 175.800 -0.239 0.000 1.087 195 F CA 1.098 58.822 58.000 -0.460 0.000 1.365 195 F CB -0.353 38.397 39.000 -0.417 0.000 1.056 195 F HN 0.005 nan 8.300 nan 0.000 0.506 196 L N 0.105 121.137 121.223 -0.318 0.000 2.187 196 L HA -0.198 4.141 4.340 -0.002 0.000 0.213 196 L C 2.518 179.231 176.870 -0.262 0.000 1.100 196 L CA 1.522 56.168 54.840 -0.324 0.000 0.765 196 L CB -0.677 41.288 42.059 -0.156 0.000 0.904 196 L HN 0.119 nan 8.230 nan 0.000 0.437 197 R N 0.241 120.606 120.500 -0.226 0.000 2.093 197 R HA -0.096 4.243 4.340 -0.002 0.000 0.224 197 R C 2.042 178.192 176.300 -0.250 0.000 1.101 197 R CA 1.061 57.043 56.100 -0.197 0.000 0.979 197 R CB -0.155 30.047 30.300 -0.164 0.000 0.877 197 R HN 0.090 nan 8.270 nan 0.000 0.441 198 L N 0.419 121.448 121.223 -0.324 0.000 2.141 198 L HA -0.007 4.332 4.340 -0.002 0.000 0.209 198 L C 2.021 178.738 176.870 -0.255 0.000 1.094 198 L CA 1.408 56.032 54.840 -0.361 0.000 0.763 198 L CB -0.627 41.220 42.059 -0.352 0.000 0.908 198 L HN 0.234 nan 8.230 nan 0.000 0.437 199 L N -1.015 120.051 121.223 -0.261 0.000 2.093 199 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 199 L C 2.278 179.135 176.870 -0.022 0.000 1.085 199 L CA 1.061 55.807 54.840 -0.156 0.000 0.755 199 L CB -0.472 41.387 42.059 -0.333 0.000 0.904 199 L HN 0.262 nan 8.230 nan 0.000 0.435 200 D N 0.384 120.745 120.400 -0.065 0.000 2.097 200 D HA -0.150 4.489 4.640 -0.002 0.000 0.197 200 D C 2.350 178.656 176.300 0.010 0.000 0.984 200 D CA 1.208 55.228 54.000 0.034 0.000 0.826 200 D CB -0.012 40.783 40.800 -0.009 0.000 0.973 200 D HN 0.152 nan 8.370 nan 0.000 0.460 201 L N -0.398 120.749 121.223 -0.127 0.000 1.971 201 L HA -0.235 4.104 4.340 -0.002 0.000 0.215 201 L C 2.606 179.367 176.870 -0.181 0.000 1.072 201 L CA 1.205 55.917 54.840 -0.213 0.000 0.758 201 L CB -0.669 41.161 42.059 -0.382 0.000 0.889 201 L HN 0.030 nan 8.230 nan 0.000 0.433 202 F N -0.615 119.183 119.950 -0.254 0.000 2.120 202 F HA -0.293 4.233 4.527 -0.002 0.000 0.300 202 F C 2.364 178.141 175.800 -0.039 0.000 1.095 202 F CA 1.614 59.401 58.000 -0.357 0.000 1.249 202 F CB -0.771 37.940 39.000 -0.481 0.000 0.995 202 F HN 0.028 nan 8.300 nan 0.000 0.480 203 F N 0.619 120.626 119.950 0.096 0.000 2.149 203 F HA -0.116 4.410 4.527 -0.002 0.000 0.294 203 F C 2.397 178.293 175.800 0.160 0.000 1.095 203 F CA 1.491 59.574 58.000 0.139 0.000 1.276 203 F CB -0.956 38.119 39.000 0.125 0.000 1.023 203 F HN -0.074 nan 8.300 nan 0.000 0.480 204 Q N 0.133 119.828 119.800 -0.174 0.000 2.077 204 Q HA -0.201 4.138 4.340 -0.002 0.000 0.206 204 Q C 2.362 178.274 176.000 -0.146 0.000 0.989 204 Q CA 2.294 57.934 55.803 -0.272 0.000 0.853 204 Q CB -0.384 28.280 28.738 -0.123 0.000 0.907 204 Q HN 0.423 nan 8.270 nan 0.000 0.418 205 S N 0.663 116.362 115.700 -0.002 0.000 2.348 205 S HA -0.153 4.316 4.470 -0.002 0.000 0.221 205 S C 1.525 176.264 174.600 0.231 0.000 1.033 205 S CA 1.151 59.414 58.200 0.106 0.000 1.010 205 S CB -0.493 62.791 63.200 0.140 0.000 0.891 205 S HN 0.443 nan 8.310 nan 0.000 0.442 206 F N 2.264 122.358 119.950 0.241 0.000 2.333 206 F HA -0.137 4.389 4.527 -0.002 0.000 0.300 206 F C 2.486 178.317 175.800 0.052 0.000 1.083 206 F CA 1.197 59.340 58.000 0.238 0.000 1.395 206 F CB -0.169 39.041 39.000 0.349 0.000 1.056 206 F HN 0.295 nan 8.300 nan 0.000 0.529 207 S N 0.644 116.181 115.700 -0.271 0.000 2.348 207 S HA -0.136 4.333 4.470 -0.002 0.000 0.219 207 S C 2.042 176.497 174.600 -0.242 0.000 1.033 207 S CA 1.140 59.109 58.200 -0.384 0.000 0.974 207 S CB -0.747 62.186 63.200 -0.444 0.000 0.868 207 S HN 0.480 nan 8.310 nan 0.000 0.459 208 L N 1.142 122.275 121.223 -0.149 0.000 2.043 208 L HA -0.120 4.219 4.340 -0.002 0.000 0.212 208 L C 2.597 179.430 176.870 -0.060 0.000 1.075 208 L CA 1.645 56.438 54.840 -0.078 0.000 0.752 208 L CB -0.670 41.361 42.059 -0.046 0.000 0.891 208 L HN 0.390 nan 8.230 nan 0.000 0.432 209 I N -0.375 120.169 120.570 -0.043 0.000 2.248 209 I HA -0.285 3.884 4.170 -0.002 0.000 0.248 209 I C 2.107 178.187 176.117 -0.061 0.000 1.107 209 I CA 1.883 63.174 61.300 -0.015 0.000 1.373 209 I CB -0.287 37.755 38.000 0.070 0.000 1.055 209 I HN 0.388 nan 8.210 nan 0.000 0.418 210 S N -0.656 114.949 115.700 -0.158 0.000 2.602 210 S HA 0.145 4.614 4.470 -0.002 0.000 0.240 210 S C 0.770 175.330 174.600 -0.067 0.000 0.992 210 S CA -0.322 57.802 58.200 -0.126 0.000 0.971 210 S CB -0.248 62.812 63.200 -0.232 0.000 0.855 210 S HN 0.398 nan 8.310 nan 0.000 0.481 211 S N 0.833 116.504 115.700 -0.050 0.000 2.606 211 S HA 0.284 4.753 4.470 -0.002 0.000 0.257 211 S C 0.796 175.451 174.600 0.091 0.000 1.327 211 S CA -0.461 57.755 58.200 0.027 0.000 0.984 211 S CB -0.169 63.044 63.200 0.022 0.000 0.941 211 S HN 0.315 nan 8.310 nan 0.000 0.576 212 F N 1.510 121.470 119.950 0.016 0.000 2.146 212 F HA 0.009 4.535 4.527 -0.002 0.000 0.298 212 F C 2.599 178.434 175.800 0.057 0.000 1.096 212 F CA 2.039 60.059 58.000 0.034 0.000 1.275 212 F CB -1.038 37.981 39.000 0.031 0.000 1.008 212 F HN 0.628 nan 8.300 nan 0.000 0.480 213 S N -0.201 115.472 115.700 -0.046 0.000 2.374 213 S HA -0.213 4.256 4.470 -0.002 0.000 0.227 213 S C 2.095 176.670 174.600 -0.041 0.000 1.037 213 S CA 1.620 59.787 58.200 -0.056 0.000 1.024 213 S CB -0.613 62.640 63.200 0.089 0.000 0.861 213 S HN 0.447 nan 8.310 nan 0.000 0.456 214 S N 1.117 116.807 115.700 -0.017 0.000 2.474 214 S HA -0.056 4.413 4.470 -0.002 0.000 0.235 214 S C 1.798 176.408 174.600 0.017 0.000 0.997 214 S CA 0.622 58.837 58.200 0.025 0.000 0.949 214 S CB -0.164 63.034 63.200 -0.003 0.000 0.766 214 S HN 0.492 nan 8.310 nan 0.000 0.517 215 Q N 0.390 120.129 119.800 -0.102 0.000 2.096 215 Q HA -0.007 4.332 4.340 -0.002 0.000 0.197 215 Q C 2.213 178.057 176.000 -0.261 0.000 0.964 215 Q CA 1.012 56.720 55.803 -0.157 0.000 0.838 215 Q CB -0.132 28.480 28.738 -0.210 0.000 0.906 215 Q HN 0.410 nan 8.270 nan 0.000 0.444 216 V N 0.286 119.984 119.914 -0.359 0.000 2.237 216 V HA -0.259 3.860 4.120 -0.002 0.000 0.245 216 V C 1.870 177.831 176.094 -0.221 0.000 1.046 216 V CA 1.825 63.942 62.300 -0.306 0.000 1.007 216 V CB -0.765 30.941 31.823 -0.194 0.000 0.638 216 V HN 0.317 nan 8.190 nan 0.000 0.445 217 F N 1.149 120.991 119.950 -0.180 0.000 2.147 217 F HA -0.284 4.242 4.527 -0.002 0.000 0.301 217 F C 2.441 178.148 175.800 -0.155 0.000 1.084 217 F CA 2.199 60.117 58.000 -0.136 0.000 1.268 217 F CB -0.109 38.827 39.000 -0.108 0.000 1.009 217 F HN 0.154 nan 8.300 nan 0.000 0.486 218 E N -0.207 120.033 120.200 0.067 0.000 2.396 218 E HA -0.174 4.175 4.350 -0.002 0.000 0.200 218 E C 1.653 178.145 176.600 -0.179 0.000 1.023 218 E CA 0.874 57.276 56.400 0.004 0.000 0.857 218 E CB -0.205 29.518 29.700 0.038 0.000 0.775 218 E HN 0.312 nan 8.360 nan 0.000 0.525 219 L N -1.473 119.485 121.223 -0.442 0.000 2.362 219 L HA 0.169 4.508 4.340 -0.002 0.000 0.204 219 L C 0.369 176.799 176.870 -0.734 0.000 1.060 219 L CA 0.856 55.236 54.840 -0.766 0.000 0.827 219 L CB 0.100 41.337 42.059 -1.371 0.000 1.027 219 L HN 0.045 nan 8.230 nan 0.000 0.474 220 F N -1.401 118.464 119.950 -0.142 0.000 2.761 220 F HA 0.276 4.802 4.527 -0.002 0.000 0.367 220 F C 1.754 177.353 175.800 -0.335 0.000 1.386 220 F CA -0.489 57.433 58.000 -0.130 0.000 1.177 220 F CB -1.127 37.865 39.000 -0.013 0.000 1.092 220 F HN -0.112 nan 8.300 nan 0.000 0.517 221 S N -0.055 115.396 115.700 -0.415 0.000 2.368 221 S HA -0.241 4.228 4.470 -0.002 0.000 0.226 221 S C 2.481 176.813 174.600 -0.447 0.000 1.044 221 S CA 1.612 59.363 58.200 -0.749 0.000 1.062 221 S CB -1.099 61.921 63.200 -0.300 0.000 0.931 221 S HN 0.530 nan 8.310 nan 0.000 0.440 222 G N 1.292 109.988 108.800 -0.172 0.000 2.553 222 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.218 222 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.218 222 G C 1.206 176.074 174.900 -0.053 0.000 1.195 222 G CA 1.167 46.214 45.100 -0.088 0.000 0.779 222 G HN 0.487 nan 8.290 nan 0.000 0.577 223 F N 0.923 120.845 119.950 -0.047 0.000 2.084 223 F HA 0.098 4.624 4.527 -0.002 0.000 0.296 223 F C 2.439 178.281 175.800 0.070 0.000 1.111 223 F CA 1.217 59.274 58.000 0.094 0.000 1.224 223 F CB -0.332 38.732 39.000 0.106 0.000 0.991 223 F HN 0.040 nan 8.300 nan 0.000 0.471 224 L N 0.848 122.016 121.223 -0.092 0.000 2.376 224 L HA -0.140 4.199 4.340 -0.002 0.000 0.219 224 L C 2.328 179.014 176.870 -0.307 0.000 1.133 224 L CA 1.080 55.825 54.840 -0.158 0.000 0.816 224 L CB -0.665 41.249 42.059 -0.241 0.000 0.933 224 L HN 0.170 nan 8.230 nan 0.000 0.449 225 K N -1.019 119.062 120.400 -0.531 0.000 2.439 225 K HA -0.150 4.169 4.320 -0.002 0.000 0.197 225 K C 1.461 177.859 176.600 -0.337 0.000 1.041 225 K CA 1.216 57.295 56.287 -0.347 0.000 0.970 225 K CB -0.360 31.981 32.500 -0.265 0.000 0.773 225 K HN 0.315 nan 8.250 nan 0.000 0.479 226 Y N 0.680 120.741 120.300 -0.399 0.000 2.365 226 Y HA 0.096 4.645 4.550 -0.002 0.000 0.293 226 Y C 0.660 176.204 175.900 -0.592 0.000 1.119 226 Y CA -0.335 57.398 58.100 -0.611 0.000 1.203 226 Y CB 0.007 37.873 38.460 -0.990 0.000 1.026 226 Y HN -0.126 nan 8.280 nan 0.000 0.549 227 F N 0.897 120.899 119.950 0.086 0.000 2.399 227 F HA 0.432 4.958 4.527 -0.002 0.000 0.328 227 F C -2.234 173.667 175.800 0.168 0.000 1.084 227 F CA -3.723 54.321 58.000 0.075 0.000 1.053 227 F CB -0.230 38.761 39.000 -0.015 0.000 1.209 227 F HN -0.280 nan 8.300 nan 0.000 0.502 228 P HA 0.387 nan 4.420 nan 0.000 0.271 228 P C -0.225 177.223 177.300 0.247 0.000 1.216 228 P CA -0.112 63.113 63.100 0.208 0.000 0.771 228 P CB 0.909 32.686 31.700 0.129 0.000 0.864 229 G N 0.270 109.210 108.800 0.233 0.000 2.606 229 G HA2 0.407 4.366 3.960 -0.002 0.000 0.300 229 G HA3 0.407 4.366 3.960 -0.002 0.000 0.300 229 G C 0.656 175.644 174.900 0.146 0.000 1.360 229 G CA -0.121 45.155 45.100 0.294 0.000 0.783 229 G HN 0.383 nan 8.290 nan 0.000 0.484 230 T N -2.164 112.472 114.554 0.137 0.000 2.904 230 T HA -0.144 4.205 4.350 -0.002 0.000 0.267 230 T C 2.012 176.692 174.700 -0.033 0.000 1.059 230 T CA 2.165 64.286 62.100 0.035 0.000 1.137 230 T CB -0.661 68.228 68.868 0.036 0.000 0.879 230 T HN 0.914 nan 8.240 nan 0.000 0.467 231 H N 1.198 120.158 119.070 -0.183 0.000 2.492 231 H HA 0.028 4.583 4.556 -0.002 0.000 0.296 231 H C 2.350 177.595 175.328 -0.138 0.000 1.095 231 H CA 1.085 56.942 56.048 -0.318 0.000 1.281 231 H CB -0.263 28.986 29.762 -0.854 0.000 1.374 231 H HN 0.293 nan 8.280 nan 0.000 0.545 232 R N -0.092 119.973 120.500 -0.724 0.000 2.052 232 R HA -0.108 4.231 4.340 -0.002 0.000 0.226 232 R C 2.454 178.670 176.300 -0.141 0.000 1.145 232 R CA 1.206 57.031 56.100 -0.459 0.000 0.952 232 R CB -0.298 29.783 30.300 -0.365 0.000 0.847 232 R HN 0.338 nan 8.270 nan 0.000 0.431 233 Q N 1.357 121.090 119.800 -0.113 0.000 2.173 233 Q HA -0.171 4.168 4.340 -0.002 0.000 0.208 233 Q C 1.762 177.738 176.000 -0.040 0.000 0.989 233 Q CA 1.728 57.497 55.803 -0.057 0.000 0.872 233 Q CB -0.315 28.394 28.738 -0.048 0.000 0.909 233 Q HN 0.395 nan 8.270 nan 0.000 0.420 234 I N -1.018 119.532 120.570 -0.033 0.000 2.233 234 I HA -0.239 3.930 4.170 -0.002 0.000 0.243 234 I C 1.997 178.120 176.117 0.011 0.000 1.093 234 I CA 1.232 62.533 61.300 0.001 0.000 1.380 234 I CB -0.429 37.584 38.000 0.022 0.000 1.067 234 I HN 0.267 nan 8.210 nan 0.000 0.413 235 Y N 1.828 122.067 120.300 -0.101 0.000 2.114 235 Y HA -0.292 4.257 4.550 -0.001 0.000 0.284 235 Y C 2.842 178.686 175.900 -0.093 0.000 1.143 235 Y CA 1.745 59.790 58.100 -0.092 0.000 1.135 235 Y CB -0.297 38.093 38.460 -0.115 0.000 0.980 235 Y HN -0.087 nan 8.280 nan 0.000 0.499 236 R N 0.194 120.736 120.500 0.070 0.000 2.096 236 R HA -0.219 4.120 4.340 -0.002 0.000 0.240 236 R C 1.949 178.168 176.300 -0.135 0.000 1.139 236 R CA 1.989 58.078 56.100 -0.018 0.000 0.952 236 R CB -0.324 29.984 30.300 0.013 0.000 0.854 236 R HN 0.375 nan 8.270 nan 0.000 0.436 237 N N 0.265 118.891 118.700 -0.123 0.000 2.188 237 N HA -0.112 4.627 4.740 -0.002 0.000 0.184 237 N C 1.672 177.045 175.510 -0.229 0.000 1.018 237 N CA 1.002 53.956 53.050 -0.160 0.000 0.858 237 N CB -0.097 38.312 38.487 -0.130 0.000 0.989 237 N HN 0.243 nan 8.380 nan 0.000 0.426 238 L N 0.577 121.663 121.223 -0.228 0.000 2.156 238 L HA -0.095 4.244 4.340 -0.002 0.000 0.208 238 L C 2.186 178.877 176.870 -0.297 0.000 1.095 238 L CA 0.743 55.430 54.840 -0.254 0.000 0.770 238 L CB -0.258 41.695 42.059 -0.177 0.000 0.914 238 L HN 0.136 nan 8.230 nan 0.000 0.439 239 Q N 0.305 119.887 119.800 -0.362 0.000 2.030 239 Q HA -0.252 4.087 4.340 -0.002 0.000 0.204 239 Q C 1.986 177.869 176.000 -0.194 0.000 0.986 239 Q CA 1.552 57.167 55.803 -0.314 0.000 0.843 239 Q CB -0.361 28.158 28.738 -0.365 0.000 0.904 239 Q HN 0.519 nan 8.270 nan 0.000 0.420 240 E N 0.097 120.190 120.200 -0.179 0.000 2.171 240 E HA -0.184 4.165 4.350 -0.002 0.000 0.197 240 E C 2.052 178.585 176.600 -0.111 0.000 0.997 240 E CA 0.877 57.199 56.400 -0.131 0.000 0.810 240 E CB -0.145 29.470 29.700 -0.143 0.000 0.738 240 E HN 0.347 nan 8.360 nan 0.000 0.467 241 I N 0.996 121.457 120.570 -0.182 0.000 2.193 241 I HA -0.245 3.924 4.170 -0.002 0.000 0.240 241 I C 1.957 178.093 176.117 0.031 0.000 1.084 241 I CA 0.668 61.887 61.300 -0.136 0.000 1.365 241 I CB -0.311 37.450 38.000 -0.399 0.000 1.064 241 I HN 0.048 nan 8.210 nan 0.000 0.410 242 N N 0.712 119.383 118.700 -0.049 0.000 2.091 242 N HA -0.186 4.553 4.740 -0.002 0.000 0.193 242 N C 1.795 177.302 175.510 -0.004 0.000 1.021 242 N CA 2.002 55.034 53.050 -0.031 0.000 0.862 242 N CB -0.794 37.627 38.487 -0.110 0.000 1.018 242 N HN 0.313 nan 8.380 nan 0.000 0.429 243 T N 0.352 114.901 114.554 -0.009 0.000 2.684 243 T HA -0.152 4.197 4.350 -0.002 0.000 0.267 243 T C 1.667 176.388 174.700 0.035 0.000 1.036 243 T CA 1.117 63.222 62.100 0.009 0.000 1.148 243 T CB -0.538 68.333 68.868 0.005 0.000 0.863 243 T HN 0.320 nan 8.240 nan 0.000 0.436 244 F N 1.451 121.373 119.950 -0.047 0.000 2.134 244 F HA -0.016 4.510 4.527 -0.001 0.000 0.299 244 F C 1.963 177.742 175.800 -0.035 0.000 1.097 244 F CA 1.017 58.989 58.000 -0.047 0.000 1.264 244 F CB -0.299 38.667 39.000 -0.056 0.000 1.001 244 F HN 0.087 nan 8.300 nan 0.000 0.479 245 I N 0.319 120.857 120.570 -0.052 0.000 2.142 245 I HA -0.226 3.943 4.170 -0.002 0.000 0.240 245 I C 2.845 178.882 176.117 -0.132 0.000 1.078 245 I CA 1.355 62.618 61.300 -0.062 0.000 1.343 245 I CB -1.632 36.462 38.000 0.157 0.000 1.046 245 I HN 0.307 nan 8.210 nan 0.000 0.405 246 G N 1.374 110.132 108.800 -0.070 0.000 2.529 246 G HA2 -0.339 3.619 3.960 -0.002 0.000 0.219 246 G HA3 -0.339 3.619 3.960 -0.002 0.000 0.219 246 G C 1.495 176.365 174.900 -0.051 0.000 1.177 246 G CA 1.144 46.232 45.100 -0.020 0.000 0.773 246 G HN 0.644 nan 8.290 nan 0.000 0.573 247 Q N -0.304 119.423 119.800 -0.122 0.000 2.515 247 Q HA 0.152 4.491 4.340 -0.002 0.000 0.212 247 Q C 2.075 177.975 176.000 -0.167 0.000 0.970 247 Q CA 1.415 57.147 55.803 -0.117 0.000 0.941 247 Q CB -0.008 28.679 28.738 -0.085 0.000 0.998 247 Q HN 0.428 nan 8.270 nan 0.000 0.518 248 S N -0.544 115.005 115.700 -0.253 0.000 2.506 248 S HA 0.026 4.495 4.470 -0.002 0.000 0.230 248 S C 1.786 176.430 174.600 0.073 0.000 1.066 248 S CA 0.445 58.524 58.200 -0.202 0.000 0.940 248 S CB -0.038 62.834 63.200 -0.547 0.000 0.818 248 S HN 0.302 nan 8.310 nan 0.000 0.518 249 V N 3.138 123.069 119.914 0.028 0.000 2.278 249 V HA -0.189 3.930 4.120 -0.002 0.000 0.251 249 V C 2.704 178.864 176.094 0.110 0.000 1.062 249 V CA 2.149 64.495 62.300 0.077 0.000 1.038 249 V CB -0.816 31.030 31.823 0.039 0.000 0.646 249 V HN 0.436 nan 8.190 nan 0.000 0.447 250 E N 0.494 120.734 120.200 0.067 0.000 2.035 250 E HA -0.261 4.088 4.350 -0.002 0.000 0.204 250 E C 2.211 178.838 176.600 0.045 0.000 1.025 250 E CA 1.677 58.108 56.400 0.052 0.000 0.835 250 E CB -0.495 29.219 29.700 0.023 0.000 0.764 250 E HN 0.610 nan 8.360 nan 0.000 0.457 251 K N -0.411 120.002 120.400 0.021 0.000 2.089 251 K HA -0.213 4.106 4.320 -0.002 0.000 0.210 251 K C 2.247 178.833 176.600 -0.023 0.000 1.048 251 K CA 1.697 57.973 56.287 -0.018 0.000 0.926 251 K CB -0.335 32.130 32.500 -0.059 0.000 0.714 251 K HN 0.239 nan 8.250 nan 0.000 0.448 252 H N -0.257 118.814 119.070 0.002 0.000 2.326 252 H HA -0.007 4.549 4.556 -0.001 0.000 0.301 252 H C 2.197 177.538 175.328 0.022 0.000 1.081 252 H CA 1.610 57.669 56.048 0.020 0.000 1.334 252 H CB 0.135 29.922 29.762 0.042 0.000 1.385 252 H HN 0.073 nan 8.280 nan 0.000 0.504 253 R N 0.518 121.107 120.500 0.149 0.000 2.082 253 R HA -0.203 4.136 4.340 -0.002 0.000 0.234 253 R C 2.366 178.695 176.300 0.048 0.000 1.136 253 R CA 1.395 57.550 56.100 0.092 0.000 0.935 253 R CB -0.490 29.861 30.300 0.086 0.000 0.842 253 R HN 0.355 nan 8.270 nan 0.000 0.430 254 A N 0.108 122.946 122.820 0.031 0.000 1.881 254 A HA -0.223 4.096 4.320 -0.002 0.000 0.219 254 A C 1.948 179.530 177.584 -0.003 0.000 1.215 254 A CA 2.514 54.556 52.037 0.008 0.000 0.648 254 A CB -1.111 17.887 19.000 -0.003 0.000 0.832 254 A HN 0.648 nan 8.150 nan 0.000 0.455 255 T N -2.622 111.920 114.554 -0.020 0.000 3.260 255 T HA 0.495 4.844 4.350 -0.002 0.000 0.254 255 T C 0.117 174.803 174.700 -0.023 0.000 0.951 255 T CA -0.394 61.686 62.100 -0.034 0.000 0.918 255 T CB -0.546 68.281 68.868 -0.068 0.000 1.098 255 T HN 0.238 nan 8.240 nan 0.000 0.563 256 L N 1.242 122.469 121.223 0.007 0.000 2.468 256 L HA 0.753 5.092 4.340 -0.002 0.000 0.254 256 L C -0.556 176.321 176.870 0.012 0.000 1.171 256 L CA 0.003 54.859 54.840 0.026 0.000 0.809 256 L CB 1.132 43.215 42.059 0.041 0.000 1.155 256 L HN 0.372 nan 8.230 nan 0.000 0.473 257 D N 1.022 121.430 120.400 0.013 0.000 2.861 257 D HA 0.313 4.952 4.640 -0.002 0.000 0.216 257 D C -2.460 173.841 176.300 0.003 0.000 1.323 257 D CA -1.132 52.872 54.000 0.007 0.000 0.917 257 D CB 2.116 42.921 40.800 0.008 0.000 1.582 257 D HN 0.222 nan 8.370 nan 0.000 0.576 258 P HA -0.055 nan 4.420 nan 0.000 0.216 258 P C 1.360 178.655 177.300 -0.008 0.000 1.153 258 P CA 1.083 64.176 63.100 -0.012 0.000 0.844 258 P CB 0.229 31.922 31.700 -0.012 0.000 0.787 259 S N -1.704 113.997 115.700 0.001 0.000 2.402 259 S HA -0.075 4.394 4.470 -0.002 0.000 0.229 259 S C 1.207 175.822 174.600 0.025 0.000 1.021 259 S CA 0.742 58.948 58.200 0.010 0.000 0.974 259 S CB -0.746 62.459 63.200 0.008 0.000 0.800 259 S HN 0.101 nan 8.310 nan 0.000 0.484 260 N N 2.023 120.739 118.700 0.026 0.000 2.733 260 N HA 0.255 4.994 4.740 -0.002 0.000 0.271 260 N C -3.207 172.335 175.510 0.052 0.000 1.720 260 N CA -1.211 51.867 53.050 0.047 0.000 0.803 260 N CB 1.107 39.616 38.487 0.036 0.000 1.208 260 N HN 0.182 nan 8.380 nan 0.000 0.498 261 P HA 0.073 nan 4.420 nan 0.000 0.263 261 P C 0.387 177.734 177.300 0.079 0.000 1.195 261 P CA 0.065 63.161 63.100 -0.007 0.000 0.762 261 P CB 1.307 32.879 31.700 -0.213 0.000 0.799 262 R N 1.665 122.218 120.500 0.089 0.000 2.112 262 R HA 0.040 4.379 4.340 -0.002 0.000 0.216 262 R C 0.394 176.785 176.300 0.151 0.000 1.080 262 R CA 1.195 57.370 56.100 0.125 0.000 0.996 262 R CB 0.011 30.384 30.300 0.121 0.000 0.902 262 R HN 0.660 nan 8.270 nan 0.000 0.449 263 D N -3.436 117.039 120.400 0.124 0.000 2.865 263 D HA -0.063 4.576 4.640 -0.002 0.000 0.343 263 D C 0.178 176.518 176.300 0.067 0.000 1.372 263 D CA -0.792 53.283 54.000 0.125 0.000 0.862 263 D CB -0.382 40.494 40.800 0.126 0.000 1.425 263 D HN -0.187 nan 8.370 nan 0.000 0.501 264 F N 0.510 120.428 119.950 -0.055 0.000 2.085 264 F HA -0.214 4.312 4.527 -0.002 0.000 0.299 264 F C 1.847 177.643 175.800 -0.007 0.000 1.096 264 F CA 1.855 59.824 58.000 -0.053 0.000 1.227 264 F CB -0.107 38.831 39.000 -0.103 0.000 0.983 264 F HN 0.300 nan 8.300 nan 0.000 0.482 265 I N 0.152 120.793 120.570 0.118 0.000 2.113 265 I HA -0.301 3.868 4.170 -0.002 0.000 0.238 265 I C 2.189 178.322 176.117 0.026 0.000 1.070 265 I CA 1.685 62.986 61.300 0.002 0.000 1.332 265 I CB -1.539 36.228 38.000 -0.388 0.000 1.044 265 I HN 0.123 nan 8.210 nan 0.000 0.402 266 D N 0.891 121.292 120.400 0.001 0.000 2.133 266 D HA -0.158 4.481 4.640 -0.002 0.000 0.192 266 D C 2.370 178.650 176.300 -0.033 0.000 1.001 266 D CA 1.096 55.121 54.000 0.042 0.000 0.844 266 D CB -0.228 40.608 40.800 0.060 0.000 0.944 266 D HN 0.110 nan 8.370 nan 0.000 0.447 267 V N -0.016 119.825 119.914 -0.122 0.000 2.427 267 V HA -0.242 3.877 4.120 -0.002 0.000 0.248 267 V C 2.063 178.181 176.094 0.040 0.000 1.051 267 V CA 1.268 63.441 62.300 -0.213 0.000 1.048 267 V CB -0.530 31.000 31.823 -0.487 0.000 0.666 267 V HN 0.219 nan 8.190 nan 0.000 0.456 268 Y N 0.419 120.741 120.300 0.036 0.000 2.114 268 Y HA -0.230 4.319 4.550 -0.002 0.000 0.284 268 Y C 2.260 178.103 175.900 -0.096 0.000 1.143 268 Y CA 1.736 59.808 58.100 -0.046 0.000 1.135 268 Y CB -0.250 38.208 38.460 -0.003 0.000 0.980 268 Y HN 0.118 nan 8.280 nan 0.000 0.499 269 L N -0.388 120.954 121.223 0.198 0.000 1.991 269 L HA -0.359 3.980 4.340 -0.002 0.000 0.221 269 L C 2.483 179.335 176.870 -0.030 0.000 1.079 269 L CA 1.924 56.821 54.840 0.095 0.000 0.778 269 L CB -1.113 41.006 42.059 0.100 0.000 0.893 269 L HN 0.313 nan 8.230 nan 0.000 0.437 270 L N -0.720 120.465 121.223 -0.064 0.000 2.013 270 L HA -0.269 4.070 4.340 -0.002 0.000 0.212 270 L C 2.809 179.572 176.870 -0.178 0.000 1.073 270 L CA 1.438 56.213 54.840 -0.108 0.000 0.753 270 L CB -0.711 41.275 42.059 -0.122 0.000 0.890 270 L HN 0.285 nan 8.230 nan 0.000 0.432 271 R N 0.469 120.811 120.500 -0.264 0.000 2.117 271 R HA -0.182 4.157 4.340 -0.002 0.000 0.243 271 R C 2.215 178.244 176.300 -0.452 0.000 1.143 271 R CA 1.743 57.570 56.100 -0.456 0.000 0.968 271 R CB -0.397 29.431 30.300 -0.785 0.000 0.863 271 R HN 0.267 nan 8.270 nan 0.000 0.444 272 M N -0.231 119.161 119.600 -0.345 0.000 2.065 272 M HA -0.195 4.284 4.480 -0.002 0.000 0.259 272 M C 2.166 178.377 176.300 -0.147 0.000 1.071 272 M CA 2.240 57.403 55.300 -0.229 0.000 1.109 272 M CB -0.481 32.066 32.600 -0.087 0.000 1.313 272 M HN 0.148 nan 8.290 nan 0.000 0.408 273 E N 1.011 121.148 120.200 -0.104 0.000 2.065 273 E HA -0.263 4.086 4.350 -0.002 0.000 0.201 273 E C 1.824 178.366 176.600 -0.098 0.000 1.016 273 E CA 1.865 58.219 56.400 -0.077 0.000 0.818 273 E CB -0.259 29.404 29.700 -0.062 0.000 0.749 273 E HN 0.249 nan 8.360 nan 0.000 0.453 274 K N -0.329 119.987 120.400 -0.140 0.000 2.281 274 K HA -0.162 4.157 4.320 -0.002 0.000 0.203 274 K C 0.223 176.734 176.600 -0.148 0.000 1.046 274 K CA 1.568 57.770 56.287 -0.143 0.000 0.938 274 K CB -0.049 32.344 32.500 -0.179 0.000 0.737 274 K HN 0.131 nan 8.250 nan 0.000 0.458 275 D N -0.120 120.176 120.400 -0.174 0.000 2.463 275 D HA 0.067 4.706 4.640 -0.002 0.000 0.224 275 D C 0.747 177.004 176.300 -0.071 0.000 1.174 275 D CA 0.037 53.945 54.000 -0.154 0.000 0.829 275 D CB 0.614 41.267 40.800 -0.245 0.000 0.993 275 D HN 0.061 nan 8.370 nan 0.000 0.497 276 K N -0.207 120.165 120.400 -0.046 0.000 2.097 276 K HA -0.024 4.295 4.320 -0.002 0.000 0.206 276 K C 0.993 177.600 176.600 0.012 0.000 1.049 276 K CA 0.873 57.159 56.287 -0.001 0.000 0.933 276 K CB 0.114 32.610 32.500 -0.007 0.000 0.717 276 K HN 0.006 nan 8.250 nan 0.000 0.442 277 S N 0.705 116.402 115.700 -0.006 0.000 2.577 277 S HA 0.004 4.473 4.470 -0.002 0.000 0.219 277 S C -0.142 174.460 174.600 0.003 0.000 0.962 277 S CA -0.248 57.952 58.200 -0.000 0.000 0.921 277 S CB 0.168 63.361 63.200 -0.010 0.000 0.789 277 S HN 0.192 nan 8.310 nan 0.000 0.497 278 D N 2.288 122.690 120.400 0.004 0.000 2.427 278 D HA 0.301 4.940 4.640 -0.002 0.000 0.226 278 D C -1.680 174.652 176.300 0.054 0.000 1.076 278 D CA -2.291 51.717 54.000 0.012 0.000 0.849 278 D CB 1.483 42.273 40.800 -0.016 0.000 1.052 278 D HN -0.047 nan 8.370 nan 0.000 0.515 279 P HA -0.074 nan 4.420 nan 0.000 0.219 279 P C 0.852 178.212 177.300 0.099 0.000 1.150 279 P CA 0.626 63.771 63.100 0.074 0.000 0.814 279 P CB 0.149 31.877 31.700 0.047 0.000 0.787 280 S N -1.966 113.782 115.700 0.079 0.000 2.605 280 S HA 0.100 4.569 4.470 -0.002 0.000 0.217 280 S C 0.982 175.644 174.600 0.104 0.000 0.958 280 S CA -0.387 57.865 58.200 0.086 0.000 0.919 280 S CB -0.909 62.326 63.200 0.059 0.000 0.780 280 S HN 0.011 nan 8.310 nan 0.000 0.507 281 S N 1.524 117.289 115.700 0.107 0.000 2.561 281 S HA 0.007 4.476 4.470 -0.002 0.000 0.294 281 S C 0.934 175.620 174.600 0.143 0.000 1.294 281 S CA -0.074 58.186 58.200 0.099 0.000 1.055 281 S CB 0.290 63.484 63.200 -0.009 0.000 0.819 281 S HN 0.467 nan 8.310 nan 0.000 0.503 282 E N 3.216 123.508 120.200 0.153 0.000 2.481 282 E HA 0.078 4.427 4.350 -0.002 0.000 0.198 282 E C -0.508 176.012 176.600 -0.134 0.000 1.027 282 E CA 0.138 56.562 56.400 0.039 0.000 0.900 282 E CB 0.120 29.777 29.700 -0.072 0.000 0.993 282 E HN 0.684 nan 8.360 nan 0.000 0.482 283 F N 1.636 121.360 119.950 -0.377 0.000 2.626 283 F HA 0.207 4.733 4.527 -0.002 0.000 0.353 283 F C 0.629 176.131 175.800 -0.497 0.000 1.230 283 F CA -0.094 57.581 58.000 -0.542 0.000 1.298 283 F CB -0.474 37.940 39.000 -0.976 0.000 1.670 283 F HN -0.091 nan 8.300 nan 0.000 0.633 284 H N -2.467 116.743 119.070 0.234 0.000 2.713 284 H HA 0.213 4.768 4.556 -0.002 0.000 0.340 284 H C 1.075 176.567 175.328 0.273 0.000 1.271 284 H CA -0.741 55.455 56.048 0.246 0.000 1.306 284 H CB 0.812 30.678 29.762 0.173 0.000 1.839 284 H HN 0.334 nan 8.280 nan 0.000 0.627 285 H N -0.041 119.190 119.070 0.269 0.000 2.421 285 H HA -0.141 4.414 4.556 -0.002 0.000 0.298 285 H C 1.625 176.967 175.328 0.024 0.000 1.087 285 H CA 1.570 57.691 56.048 0.122 0.000 1.330 285 H CB 0.447 30.255 29.762 0.078 0.000 1.388 285 H HN 0.409 nan 8.280 nan 0.000 0.526 286 Q N 0.554 120.383 119.800 0.049 0.000 1.993 286 Q HA -0.139 4.200 4.340 -0.002 0.000 0.202 286 Q C 2.087 178.045 176.000 -0.069 0.000 0.984 286 Q CA 1.216 56.920 55.803 -0.164 0.000 0.837 286 Q CB -0.519 27.857 28.738 -0.604 0.000 0.902 286 Q HN 0.551 nan 8.270 nan 0.000 0.423 287 N N 0.782 119.550 118.700 0.112 0.000 2.192 287 N HA -0.166 4.573 4.740 -0.002 0.000 0.188 287 N C 1.735 177.245 175.510 0.001 0.000 1.013 287 N CA 0.752 53.906 53.050 0.173 0.000 0.863 287 N CB -0.312 38.304 38.487 0.215 0.000 0.990 287 N HN 0.159 nan 8.380 nan 0.000 0.430 288 L N 0.984 122.092 121.223 -0.190 0.000 2.023 288 L HA 0.014 4.353 4.340 -0.002 0.000 0.205 288 L C 1.911 178.596 176.870 -0.310 0.000 1.073 288 L CA 1.356 55.849 54.840 -0.578 0.000 0.745 288 L CB -0.689 40.850 42.059 -0.868 0.000 0.900 288 L HN -0.002 nan 8.230 nan 0.000 0.435 289 I N -0.246 120.136 120.570 -0.312 0.000 2.208 289 I HA -0.299 3.870 4.170 -0.002 0.000 0.245 289 I C 2.544 178.621 176.117 -0.067 0.000 1.097 289 I CA 1.544 62.719 61.300 -0.210 0.000 1.363 289 I CB -1.072 36.763 38.000 -0.275 0.000 1.051 289 I HN 0.331 nan 8.210 nan 0.000 0.413 290 L N -0.265 120.948 121.223 -0.017 0.000 2.492 290 L HA -0.067 4.272 4.340 -0.002 0.000 0.223 290 L C 2.387 179.414 176.870 0.262 0.000 1.132 290 L CA 0.548 55.464 54.840 0.126 0.000 0.850 290 L CB -0.481 41.684 42.059 0.176 0.000 0.966 290 L HN 0.240 nan 8.230 nan 0.000 0.454 291 T N -0.387 114.248 114.554 0.136 0.000 2.706 291 T HA -0.114 4.235 4.350 -0.002 0.000 0.255 291 T C 2.037 176.752 174.700 0.024 0.000 1.048 291 T CA 1.058 63.228 62.100 0.116 0.000 1.153 291 T CB -0.063 68.882 68.868 0.129 0.000 0.865 291 T HN -0.012 nan 8.240 nan 0.000 0.414 292 V N 2.025 121.885 119.914 -0.089 0.000 2.313 292 V HA -0.211 3.908 4.120 -0.002 0.000 0.253 292 V C 2.425 178.606 176.094 0.145 0.000 1.070 292 V CA 1.680 63.905 62.300 -0.125 0.000 1.057 292 V CB -0.799 30.938 31.823 -0.144 0.000 0.653 292 V HN 0.307 nan 8.190 nan 0.000 0.450 293 L N 0.133 121.503 121.223 0.246 0.000 1.961 293 L HA -0.161 4.178 4.340 -0.002 0.000 0.210 293 L C 2.622 179.799 176.870 0.512 0.000 1.072 293 L CA 2.473 57.561 54.840 0.414 0.000 0.749 293 L CB -0.823 41.418 42.059 0.303 0.000 0.889 293 L HN 0.309 nan 8.230 nan 0.000 0.432 294 S N -0.309 115.694 115.700 0.505 0.000 2.378 294 S HA -0.278 4.191 4.470 -0.002 0.000 0.229 294 S C 1.927 176.644 174.600 0.195 0.000 1.052 294 S CA 2.156 60.553 58.200 0.327 0.000 1.084 294 S CB -0.703 62.586 63.200 0.149 0.000 0.950 294 S HN 0.437 nan 8.310 nan 0.000 0.440 295 L N -0.361 120.928 121.223 0.110 0.000 2.005 295 L HA -0.053 4.286 4.340 -0.002 0.000 0.207 295 L C 2.304 179.239 176.870 0.109 0.000 1.072 295 L CA 1.178 56.026 54.840 0.014 0.000 0.744 295 L CB -0.528 41.423 42.059 -0.181 0.000 0.895 295 L HN 0.247 nan 8.230 nan 0.000 0.433 296 F N 0.009 119.935 119.950 -0.041 0.000 2.184 296 F HA -0.309 4.217 4.527 -0.001 0.000 0.301 296 F C 2.211 177.893 175.800 -0.196 0.000 1.076 296 F CA 1.240 59.234 58.000 -0.010 0.000 1.295 296 F CB -0.569 38.565 39.000 0.224 0.000 1.026 296 F HN -0.027 nan 8.300 nan 0.000 0.494 297 F N -0.643 119.224 119.950 -0.139 0.000 2.094 297 F HA -0.011 4.515 4.527 -0.001 0.000 0.291 297 F C 2.447 178.010 175.800 -0.394 0.000 1.109 297 F CA 0.943 58.699 58.000 -0.407 0.000 1.221 297 F CB -0.477 38.549 39.000 0.044 0.000 1.014 297 F HN -0.071 nan 8.300 nan 0.000 0.473 298 A N 0.601 123.440 122.820 0.032 0.000 1.859 298 A HA -0.189 4.130 4.320 -0.002 0.000 0.217 298 A C 2.349 179.876 177.584 -0.096 0.000 1.198 298 A CA 1.951 53.911 52.037 -0.129 0.000 0.629 298 A CB -1.885 17.048 19.000 -0.112 0.000 0.830 298 A HN 0.530 nan 8.150 nan 0.000 0.446 299 G N -1.589 107.190 108.800 -0.036 0.000 2.596 299 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.223 299 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.223 299 G C 1.556 176.443 174.900 -0.021 0.000 1.120 299 G CA 2.024 47.123 45.100 -0.000 0.000 0.752 299 G HN 0.489 nan 8.290 nan 0.000 0.596 300 T N -0.180 114.289 114.554 -0.142 0.000 2.837 300 T HA 0.068 4.417 4.350 -0.002 0.000 0.248 300 T C 2.000 176.570 174.700 -0.215 0.000 1.033 300 T CA 0.951 62.918 62.100 -0.221 0.000 1.150 300 T CB 0.005 68.537 68.868 -0.559 0.000 0.865 300 T HN 0.145 nan 8.240 nan 0.000 0.425 301 E N 0.977 120.992 120.200 -0.308 0.000 2.479 301 E HA 0.089 4.438 4.350 -0.002 0.000 0.193 301 E C 1.888 178.236 176.600 -0.420 0.000 1.049 301 E CA 0.405 56.544 56.400 -0.436 0.000 0.870 301 E CB 0.208 29.487 29.700 -0.703 0.000 0.944 301 E HN 0.674 nan 8.360 nan 0.000 0.492 302 T N -2.778 111.622 114.554 -0.257 0.000 3.111 302 T HA -0.025 4.324 4.350 -0.002 0.000 0.236 302 T C 1.990 176.680 174.700 -0.016 0.000 0.984 302 T CA 0.767 62.773 62.100 -0.155 0.000 1.195 302 T CB -0.593 68.169 68.868 -0.176 0.000 0.929 302 T HN -0.077 nan 8.240 nan 0.000 0.431 303 T N 3.100 117.667 114.554 0.022 0.000 2.822 303 T HA -0.155 4.194 4.350 -0.002 0.000 0.270 303 T C 2.348 177.126 174.700 0.128 0.000 1.064 303 T CA 1.724 63.881 62.100 0.095 0.000 1.131 303 T CB -0.618 68.329 68.868 0.132 0.000 0.858 303 T HN 0.657 nan 8.240 nan 0.000 0.483 304 S N 1.830 117.613 115.700 0.138 0.000 2.387 304 S HA -0.110 4.359 4.470 -0.002 0.000 0.221 304 S C 2.306 177.081 174.600 0.291 0.000 1.041 304 S CA 1.093 59.417 58.200 0.208 0.000 0.959 304 S CB -1.193 62.201 63.200 0.325 0.000 0.843 304 S HN 0.607 nan 8.310 nan 0.000 0.488 305 T N 0.926 115.662 114.554 0.303 0.000 2.737 305 T HA -0.146 4.203 4.350 -0.002 0.000 0.269 305 T C 1.889 176.767 174.700 0.297 0.000 1.040 305 T CA 2.067 64.363 62.100 0.327 0.000 1.142 305 T CB -1.590 67.468 68.868 0.316 0.000 0.861 305 T HN 0.470 nan 8.240 nan 0.000 0.456 306 T N 2.374 117.053 114.554 0.209 0.000 2.674 306 T HA 0.052 4.401 4.350 -0.002 0.000 0.265 306 T C 1.953 176.825 174.700 0.286 0.000 1.039 306 T CA 1.159 63.371 62.100 0.186 0.000 1.150 306 T CB -0.622 68.300 68.868 0.090 0.000 0.864 306 T HN 0.271 nan 8.240 nan 0.000 0.427 307 L N 0.358 121.754 121.223 0.289 0.000 1.997 307 L HA -0.233 4.106 4.340 -0.002 0.000 0.216 307 L C 2.939 180.235 176.870 0.710 0.000 1.074 307 L CA 1.707 56.788 54.840 0.401 0.000 0.763 307 L CB -0.454 41.675 42.059 0.116 0.000 0.890 307 L HN 0.173 nan 8.230 nan 0.000 0.434 308 R N -1.506 119.417 120.500 0.706 0.000 2.103 308 R HA -0.249 4.090 4.340 -0.002 0.000 0.242 308 R C 2.303 178.994 176.300 0.652 0.000 1.142 308 R CA 2.095 58.615 56.100 0.700 0.000 0.960 308 R CB -0.387 30.181 30.300 0.447 0.000 0.858 308 R HN 0.332 nan 8.270 nan 0.000 0.439 309 Y N 0.087 120.606 120.300 0.365 0.000 2.243 309 Y HA 0.010 4.559 4.550 -0.002 0.000 0.293 309 Y C 2.144 178.129 175.900 0.142 0.000 1.124 309 Y CA 1.359 59.591 58.100 0.220 0.000 1.159 309 Y CB -0.612 37.943 38.460 0.157 0.000 1.008 309 Y HN 0.060 nan 8.280 nan 0.000 0.527 310 G N 0.060 109.031 108.800 0.285 0.000 2.529 310 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.219 310 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.219 310 G C 1.518 176.428 174.900 0.017 0.000 1.177 310 G CA 1.368 46.520 45.100 0.087 0.000 0.773 310 G HN 0.452 nan 8.290 nan 0.000 0.573 311 F N -0.076 120.044 119.950 0.283 0.000 2.269 311 F HA 0.033 4.559 4.527 -0.002 0.000 0.301 311 F C 2.386 178.124 175.800 -0.103 0.000 1.082 311 F CA 0.538 58.659 58.000 0.201 0.000 1.360 311 F CB -0.271 38.958 39.000 0.380 0.000 1.041 311 F HN 0.109 nan 8.300 nan 0.000 0.512 312 L N 0.107 121.237 121.223 -0.156 0.000 2.005 312 L HA -0.167 4.172 4.340 -0.002 0.000 0.207 312 L C 2.156 178.774 176.870 -0.421 0.000 1.072 312 L CA 1.678 56.167 54.840 -0.585 0.000 0.744 312 L CB -0.921 40.750 42.059 -0.647 0.000 0.895 312 L HN 0.093 nan 8.230 nan 0.000 0.433 313 L N -1.267 119.678 121.223 -0.465 0.000 2.043 313 L HA -0.300 4.039 4.340 -0.002 0.000 0.212 313 L C 2.500 179.270 176.870 -0.166 0.000 1.075 313 L CA 1.325 55.916 54.840 -0.415 0.000 0.752 313 L CB -0.620 40.979 42.059 -0.767 0.000 0.891 313 L HN 0.354 nan 8.230 nan 0.000 0.432 314 M N -0.946 118.576 119.600 -0.131 0.000 2.358 314 M HA -0.158 4.321 4.480 -0.002 0.000 0.264 314 M C 2.178 178.476 176.300 -0.003 0.000 1.064 314 M CA 1.506 56.797 55.300 -0.014 0.000 1.093 314 M CB -0.824 31.751 32.600 -0.043 0.000 1.401 314 M HN 0.315 nan 8.290 nan 0.000 0.440 315 L N -0.696 120.479 121.223 -0.080 0.000 2.202 315 L HA -0.102 4.237 4.340 -0.002 0.000 0.205 315 L C 2.478 179.264 176.870 -0.139 0.000 1.083 315 L CA 0.706 55.484 54.840 -0.104 0.000 0.790 315 L CB -0.355 41.602 42.059 -0.170 0.000 0.942 315 L HN 0.259 nan 8.230 nan 0.000 0.452 316 K N -0.061 120.218 120.400 -0.201 0.000 2.211 316 K HA -0.139 4.180 4.320 -0.002 0.000 0.203 316 K C -0.178 176.101 176.600 -0.535 0.000 1.050 316 K CA 1.104 57.171 56.287 -0.366 0.000 0.945 316 K CB 0.205 32.454 32.500 -0.419 0.000 0.732 316 K HN 0.184 nan 8.250 nan 0.000 0.451 317 Y N -0.090 120.193 120.300 -0.028 0.000 2.658 317 Y HA 0.261 4.810 4.550 -0.002 0.000 0.362 317 Y C -2.111 173.847 175.900 0.097 0.000 1.017 317 Y CA -2.371 55.775 58.100 0.076 0.000 1.134 317 Y CB 1.363 39.922 38.460 0.165 0.000 1.144 317 Y HN 0.105 nan 8.280 nan 0.000 0.655 318 P HA -0.257 nan 4.420 nan 0.000 0.217 318 P C 1.413 178.819 177.300 0.176 0.000 1.148 318 P CA 1.820 64.997 63.100 0.128 0.000 0.828 318 P CB 0.290 32.039 31.700 0.083 0.000 0.783 319 H N -0.395 118.767 119.070 0.153 0.000 2.299 319 H HA -0.083 4.472 4.556 -0.002 0.000 0.302 319 H C 1.698 177.135 175.328 0.182 0.000 1.078 319 H CA 1.578 57.709 56.048 0.139 0.000 1.323 319 H CB -0.894 28.950 29.762 0.136 0.000 1.381 319 H HN -0.242 nan 8.280 nan 0.000 0.498 320 V N 0.547 120.583 119.914 0.203 0.000 2.222 320 V HA -0.397 3.722 4.120 -0.002 0.000 0.252 320 V C 2.460 178.661 176.094 0.180 0.000 1.060 320 V CA 2.639 65.074 62.300 0.226 0.000 1.027 320 V CB -1.278 30.760 31.823 0.359 0.000 0.644 320 V HN 0.622 nan 8.190 nan 0.000 0.448 321 T N -0.348 114.306 114.554 0.166 0.000 2.680 321 T HA -0.295 4.054 4.350 -0.002 0.000 0.268 321 T C 2.113 176.852 174.700 0.064 0.000 1.033 321 T CA 2.413 64.577 62.100 0.107 0.000 1.152 321 T CB -0.531 68.382 68.868 0.075 0.000 0.859 321 T HN 0.835 nan 8.240 nan 0.000 0.452 322 E N 1.723 121.938 120.200 0.024 0.000 2.106 322 E HA -0.143 4.206 4.350 -0.002 0.000 0.192 322 E C 2.116 178.690 176.600 -0.043 0.000 0.984 322 E CA 1.182 57.576 56.400 -0.010 0.000 0.806 322 E CB -0.606 29.087 29.700 -0.013 0.000 0.750 322 E HN 0.633 nan 8.360 nan 0.000 0.458 323 R N -0.064 120.371 120.500 -0.108 0.000 2.066 323 R HA -0.051 4.288 4.340 -0.002 0.000 0.232 323 R C 2.605 178.951 176.300 0.078 0.000 1.131 323 R CA 1.386 57.403 56.100 -0.139 0.000 0.955 323 R CB -0.622 29.401 30.300 -0.461 0.000 0.851 323 R HN 0.374 nan 8.270 nan 0.000 0.432 324 V N 1.343 121.410 119.914 0.255 0.000 2.392 324 V HA -0.274 3.845 4.120 -0.002 0.000 0.249 324 V C 2.272 178.440 176.094 0.124 0.000 1.059 324 V CA 1.792 64.250 62.300 0.263 0.000 1.051 324 V CB -0.582 31.383 31.823 0.237 0.000 0.658 324 V HN 0.359 nan 8.190 nan 0.000 0.455 325 Q N -0.508 119.330 119.800 0.063 0.000 2.230 325 Q HA -0.151 4.188 4.340 -0.002 0.000 0.202 325 Q C 2.303 178.313 176.000 0.018 0.000 0.963 325 Q CA 1.124 56.942 55.803 0.025 0.000 0.866 325 Q CB -0.032 28.714 28.738 0.013 0.000 0.931 325 Q HN 0.621 nan 8.270 nan 0.000 0.452 326 K N 0.177 120.584 120.400 0.011 0.000 2.167 326 K HA -0.126 4.193 4.320 -0.002 0.000 0.203 326 K C 1.774 178.382 176.600 0.013 0.000 1.052 326 K CA 0.808 57.094 56.287 -0.002 0.000 0.956 326 K CB 0.129 32.612 32.500 -0.028 0.000 0.735 326 K HN 0.167 nan 8.250 nan 0.000 0.451 327 E N 1.101 121.326 120.200 0.042 0.000 2.152 327 E HA -0.111 4.238 4.350 -0.002 0.000 0.192 327 E C 1.835 178.480 176.600 0.076 0.000 0.983 327 E CA 0.581 57.023 56.400 0.070 0.000 0.818 327 E CB 0.113 29.895 29.700 0.137 0.000 0.758 327 E HN 0.205 nan 8.360 nan 0.000 0.467 328 I N 1.007 121.617 120.570 0.067 0.000 2.179 328 I HA -0.252 3.917 4.170 -0.002 0.000 0.242 328 I C 2.537 178.671 176.117 0.028 0.000 1.088 328 I CA 1.290 62.619 61.300 0.047 0.000 1.357 328 I CB -0.236 37.773 38.000 0.015 0.000 1.051 328 I HN 0.138 nan 8.210 nan 0.000 0.409 329 E N 1.075 121.283 120.200 0.012 0.000 2.097 329 E HA -0.294 4.055 4.350 -0.002 0.000 0.196 329 E C 2.090 178.697 176.600 0.012 0.000 1.000 329 E CA 1.853 58.253 56.400 -0.000 0.000 0.804 329 E CB -0.116 29.580 29.700 -0.007 0.000 0.740 329 E HN 0.436 nan 8.360 nan 0.000 0.454 330 Q N -0.978 118.835 119.800 0.022 0.000 2.020 330 Q HA -0.040 4.299 4.340 -0.002 0.000 0.198 330 Q C 2.263 178.283 176.000 0.034 0.000 0.974 330 Q CA 1.797 57.614 55.803 0.024 0.000 0.829 330 Q CB 0.102 28.854 28.738 0.023 0.000 0.894 330 Q HN 0.213 nan 8.270 nan 0.000 0.433 331 V N -0.187 119.756 119.914 0.048 0.000 2.446 331 V HA -0.121 3.998 4.120 -0.002 0.000 0.244 331 V C 1.896 178.026 176.094 0.060 0.000 1.039 331 V CA 1.339 63.674 62.300 0.058 0.000 1.045 331 V CB -0.184 31.688 31.823 0.082 0.000 0.681 331 V HN 0.304 nan 8.190 nan 0.000 0.459 332 I N -0.935 119.671 120.570 0.060 0.000 2.556 332 I HA 0.410 4.579 4.170 -0.002 0.000 0.251 332 I C 1.394 177.531 176.117 0.034 0.000 1.105 332 I CA 1.105 62.438 61.300 0.055 0.000 1.436 332 I CB -0.182 37.851 38.000 0.055 0.000 1.139 332 I HN 0.491 nan 8.210 nan 0.000 0.438 333 G N 0.850 109.659 108.800 0.014 0.000 2.587 333 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.212 333 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.212 333 G C 0.357 175.216 174.900 -0.068 0.000 1.327 333 G CA 0.028 45.122 45.100 -0.011 0.000 0.898 333 G HN 0.425 nan 8.290 nan 0.000 0.551 334 S N -1.823 113.775 115.700 -0.170 0.000 2.733 334 S HA 0.380 4.849 4.470 -0.002 0.000 0.247 334 S C 1.119 175.451 174.600 -0.446 0.000 1.043 334 S CA 0.955 58.971 58.200 -0.307 0.000 1.066 334 S CB 0.259 63.229 63.200 -0.384 0.000 1.045 334 S HN 0.853 nan 8.310 nan 0.000 0.586 335 H N 1.690 120.759 119.070 -0.001 0.000 2.481 335 H HA 0.377 4.932 4.556 -0.002 0.000 0.291 335 H C 0.936 176.268 175.328 0.006 0.000 1.009 335 H CA 0.109 56.157 56.048 -0.001 0.000 1.282 335 H CB 0.221 29.983 29.762 0.001 0.000 1.457 335 H HN 0.449 nan 8.280 nan 0.000 0.525 336 R N 2.703 123.273 120.500 0.116 0.000 2.490 336 R HA 0.284 4.623 4.340 -0.002 0.000 0.278 336 R C -2.594 173.736 176.300 0.051 0.000 1.069 336 R CA -1.865 54.281 56.100 0.076 0.000 1.080 336 R CB 0.010 30.350 30.300 0.067 0.000 1.030 336 R HN -0.015 nan 8.270 nan 0.000 0.491 337 P HA 0.181 nan 4.420 nan 0.000 0.272 337 P C -2.510 174.816 177.300 0.044 0.000 1.223 337 P CA -1.515 61.609 63.100 0.040 0.000 0.784 337 P CB 0.140 31.868 31.700 0.045 0.000 0.923 338 P HA 0.232 nan 4.420 nan 0.000 0.271 338 P C -0.704 176.653 177.300 0.094 0.000 1.216 338 P CA 0.301 63.434 63.100 0.056 0.000 0.776 338 P CB 0.364 32.049 31.700 -0.025 0.000 0.881 339 A N 2.300 125.209 122.820 0.149 0.000 2.380 339 A HA 0.401 4.720 4.320 -0.002 0.000 0.315 339 A C 0.686 178.393 177.584 0.207 0.000 1.101 339 A CA -0.548 51.569 52.037 0.133 0.000 0.771 339 A CB 0.707 19.757 19.000 0.083 0.000 1.287 339 A HN 0.576 nan 8.150 nan 0.000 0.436 340 L N 0.541 121.847 121.223 0.138 0.000 2.353 340 L HA -0.045 4.294 4.340 -0.002 0.000 0.220 340 L C 1.151 177.974 176.870 -0.079 0.000 1.133 340 L CA 2.534 57.424 54.840 0.082 0.000 0.798 340 L CB -0.303 41.766 42.059 0.016 0.000 0.922 340 L HN 0.764 nan 8.230 nan 0.000 0.445 341 D N -2.958 117.427 120.400 -0.025 0.000 2.395 341 D HA -0.038 4.601 4.640 -0.002 0.000 0.226 341 D C 0.933 177.206 176.300 -0.044 0.000 1.146 341 D CA 0.050 54.009 54.000 -0.069 0.000 0.830 341 D CB -0.355 40.423 40.800 -0.037 0.000 0.958 341 D HN 0.271 nan 8.370 nan 0.000 0.501 342 D N 0.614 121.020 120.400 0.010 0.000 2.289 342 D HA -0.062 4.576 4.640 -0.002 0.000 0.207 342 D C 1.824 178.098 176.300 -0.043 0.000 0.966 342 D CA 0.232 54.286 54.000 0.090 0.000 0.868 342 D CB -0.050 40.926 40.800 0.293 0.000 0.943 342 D HN 0.274 nan 8.370 nan 0.000 0.514 343 R N 0.694 120.907 120.500 -0.479 0.000 2.127 343 R HA -0.127 4.212 4.340 -0.002 0.000 0.238 343 R C 1.829 177.984 176.300 -0.241 0.000 1.134 343 R CA 1.400 57.070 56.100 -0.716 0.000 0.975 343 R CB 0.059 29.673 30.300 -1.143 0.000 0.865 343 R HN 0.099 nan 8.270 nan 0.000 0.447 344 A N 0.236 122.961 122.820 -0.159 0.000 1.935 344 A HA -0.028 4.291 4.320 -0.002 0.000 0.214 344 A C 1.757 179.321 177.584 -0.034 0.000 1.178 344 A CA 0.828 52.813 52.037 -0.086 0.000 0.640 344 A CB 0.033 18.990 19.000 -0.072 0.000 0.825 344 A HN 0.135 nan 8.150 nan 0.000 0.447 345 K N -0.601 119.791 120.400 -0.013 0.000 2.555 345 K HA 0.187 4.506 4.320 -0.002 0.000 0.193 345 K C 0.288 176.923 176.600 0.058 0.000 1.032 345 K CA 0.611 56.913 56.287 0.024 0.000 1.004 345 K CB -0.106 32.416 32.500 0.036 0.000 0.804 345 K HN 0.465 nan 8.250 nan 0.000 0.496 346 M N 0.653 120.294 119.600 0.069 0.000 3.062 346 M HA 0.151 4.630 4.480 -0.002 0.000 0.270 346 M C -1.930 174.440 176.300 0.118 0.000 1.270 346 M CA -1.335 54.047 55.300 0.136 0.000 0.702 346 M CB 1.264 34.017 32.600 0.254 0.000 1.398 346 M HN -0.150 nan 8.290 nan 0.000 0.490 347 P HA -0.230 nan 4.420 nan 0.000 0.217 347 P C 1.047 178.389 177.300 0.069 0.000 1.148 347 P CA 1.609 64.736 63.100 0.046 0.000 0.828 347 P CB 0.084 31.813 31.700 0.049 0.000 0.783 348 Y N 1.390 121.704 120.300 0.023 0.000 2.130 348 Y HA -0.122 4.427 4.550 -0.002 0.000 0.287 348 Y C 2.504 178.432 175.900 0.046 0.000 1.124 348 Y CA 2.141 60.253 58.100 0.021 0.000 1.118 348 Y CB -1.151 37.324 38.460 0.025 0.000 0.994 348 Y HN -0.127 nan 8.280 nan 0.000 0.497 349 T N 0.281 114.893 114.554 0.097 0.000 2.699 349 T HA -0.226 4.123 4.350 -0.002 0.000 0.268 349 T C 1.562 176.281 174.700 0.032 0.000 1.036 349 T CA 1.717 63.876 62.100 0.099 0.000 1.147 349 T CB -0.494 68.548 68.868 0.290 0.000 0.862 349 T HN 0.390 nan 8.240 nan 0.000 0.446 350 D N 1.001 121.434 120.400 0.056 0.000 2.097 350 D HA -0.055 4.584 4.640 -0.002 0.000 0.195 350 D C 2.344 178.554 176.300 -0.150 0.000 0.989 350 D CA 1.385 55.391 54.000 0.009 0.000 0.827 350 D CB -0.411 40.362 40.800 -0.044 0.000 0.966 350 D HN 0.354 nan 8.370 nan 0.000 0.456 351 A N 0.359 123.019 122.820 -0.268 0.000 1.865 351 A HA -0.173 4.146 4.320 -0.002 0.000 0.217 351 A C 2.673 180.071 177.584 -0.309 0.000 1.191 351 A CA 2.129 53.961 52.037 -0.342 0.000 0.623 351 A CB -1.008 17.868 19.000 -0.206 0.000 0.826 351 A HN 0.201 nan 8.150 nan 0.000 0.444 352 V N 0.206 119.904 119.914 -0.360 0.000 2.252 352 V HA -0.353 3.766 4.120 -0.002 0.000 0.249 352 V C 2.428 178.421 176.094 -0.170 0.000 1.056 352 V CA 2.345 64.494 62.300 -0.253 0.000 1.022 352 V CB -0.887 30.799 31.823 -0.229 0.000 0.641 352 V HN 0.587 nan 8.190 nan 0.000 0.445 353 I N -0.742 119.693 120.570 -0.225 0.000 2.091 353 I HA -0.330 3.839 4.170 -0.002 0.000 0.239 353 I C 2.520 178.567 176.117 -0.117 0.000 1.061 353 I CA 2.120 63.291 61.300 -0.215 0.000 1.317 353 I CB -0.655 37.266 38.000 -0.131 0.000 1.031 353 I HN 0.342 nan 8.210 nan 0.000 0.401 354 H N -0.082 118.749 119.070 -0.398 0.000 2.325 354 H HA -0.265 4.290 4.556 -0.002 0.000 0.293 354 H C 2.114 177.120 175.328 -0.536 0.000 1.106 354 H CA 2.009 57.602 56.048 -0.759 0.000 1.247 354 H CB -0.303 28.344 29.762 -1.859 0.000 1.359 354 H HN 0.343 nan 8.280 nan 0.000 0.488 355 E N 0.343 120.423 120.200 -0.201 0.000 2.152 355 E HA -0.042 4.307 4.350 -0.002 0.000 0.192 355 E C 2.080 178.863 176.600 0.306 0.000 0.983 355 E CA 0.593 57.044 56.400 0.086 0.000 0.818 355 E CB -0.281 29.412 29.700 -0.010 0.000 0.758 355 E HN 0.496 nan 8.360 nan 0.000 0.467 356 I N 0.601 121.340 120.570 0.282 0.000 2.179 356 I HA -0.321 3.848 4.170 -0.002 0.000 0.242 356 I C 2.486 178.731 176.117 0.213 0.000 1.088 356 I CA 1.405 62.865 61.300 0.267 0.000 1.357 356 I CB -0.352 37.707 38.000 0.099 0.000 1.051 356 I HN 0.211 nan 8.210 nan 0.000 0.409 357 Q N 0.136 120.004 119.800 0.113 0.000 2.096 357 Q HA -0.255 4.084 4.340 -0.002 0.000 0.204 357 Q C 2.367 178.441 176.000 0.123 0.000 0.982 357 Q CA 1.459 57.300 55.803 0.064 0.000 0.850 357 Q CB -0.284 28.483 28.738 0.047 0.000 0.901 357 Q HN 0.453 nan 8.270 nan 0.000 0.422 358 R N 0.474 121.127 120.500 0.255 0.000 2.066 358 R HA -0.131 4.208 4.340 -0.002 0.000 0.232 358 R C 2.043 178.443 176.300 0.167 0.000 1.131 358 R CA 1.027 57.277 56.100 0.250 0.000 0.955 358 R CB -0.084 30.351 30.300 0.225 0.000 0.851 358 R HN 0.197 nan 8.270 nan 0.000 0.432 359 L N 0.270 121.606 121.223 0.188 0.000 2.375 359 L HA 0.213 4.552 4.340 -0.002 0.000 0.215 359 L C 2.014 178.972 176.870 0.147 0.000 1.108 359 L CA 1.305 56.277 54.840 0.221 0.000 0.830 359 L CB -0.164 42.085 42.059 0.317 0.000 0.959 359 L HN 0.286 nan 8.230 nan 0.000 0.457 360 G N -0.622 108.193 108.800 0.024 0.000 2.480 360 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.216 360 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.216 360 G C 0.508 175.199 174.900 -0.349 0.000 1.200 360 G CA 0.879 45.689 45.100 -0.484 0.000 0.782 360 G HN 0.567 nan 8.290 nan 0.000 0.554 361 D N -1.546 118.757 120.400 -0.161 0.000 2.716 361 D HA -0.121 4.518 4.640 -0.002 0.000 0.239 361 D C 1.226 177.422 176.300 -0.173 0.000 1.125 361 D CA 0.242 54.158 54.000 -0.139 0.000 0.681 361 D CB -1.147 39.603 40.800 -0.083 0.000 1.070 361 D HN 0.122 nan 8.370 nan 0.000 0.432 362 L N -0.246 120.869 121.223 -0.180 0.000 2.362 362 L HA 0.135 4.474 4.340 -0.002 0.000 0.219 362 L C 1.354 178.146 176.870 -0.130 0.000 1.134 362 L CA 1.144 55.905 54.840 -0.132 0.000 0.807 362 L CB -0.647 41.358 42.059 -0.090 0.000 0.927 362 L HN 0.454 nan 8.230 nan 0.000 0.447 363 I N 0.341 120.799 120.570 -0.186 0.000 2.555 363 I HA 0.154 4.323 4.170 -0.002 0.000 0.275 363 I C -1.486 174.475 176.117 -0.261 0.000 1.082 363 I CA -1.244 59.916 61.300 -0.234 0.000 1.167 363 I CB 1.555 39.424 38.000 -0.218 0.000 1.312 363 I HN -0.153 nan 8.210 nan 0.000 0.493 364 P HA -0.109 nan 4.420 nan 0.000 0.218 364 P C 0.376 177.650 177.300 -0.044 0.000 1.149 364 P CA 1.478 64.469 63.100 -0.180 0.000 0.817 364 P CB 0.045 31.675 31.700 -0.118 0.000 0.785 365 F N -3.259 116.707 119.950 0.027 0.000 2.688 365 F HA 0.726 5.252 4.527 -0.002 0.000 0.376 365 F C 0.727 176.487 175.800 -0.066 0.000 1.428 365 F CA -1.024 57.008 58.000 0.054 0.000 1.156 365 F CB -0.347 38.818 39.000 0.274 0.000 1.141 365 F HN -0.035 nan 8.300 nan 0.000 0.521 366 G N 0.340 109.089 108.800 -0.085 0.000 2.877 366 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.279 366 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.279 366 G C -0.833 173.979 174.900 -0.146 0.000 1.431 366 G CA -0.581 44.459 45.100 -0.099 0.000 0.883 366 G HN 0.485 nan 8.290 nan 0.000 0.547 367 V N 2.263 122.101 119.914 -0.127 0.000 2.644 367 V HA 0.514 4.633 4.120 -0.002 0.000 0.295 367 V C -1.525 174.479 176.094 -0.150 0.000 1.053 367 V CA -0.910 61.296 62.300 -0.157 0.000 0.987 367 V CB 1.663 33.365 31.823 -0.201 0.000 1.006 367 V HN 0.748 nan 8.190 nan 0.000 0.472 368 P HA 0.342 nan 4.420 nan 0.000 0.276 368 P C -0.937 176.293 177.300 -0.117 0.000 1.230 368 P CA -0.171 62.750 63.100 -0.298 0.000 0.776 368 P CB 0.408 31.863 31.700 -0.409 0.000 0.888 369 H N -0.321 118.653 119.070 -0.160 0.000 2.508 369 H HA 0.659 5.214 4.556 -0.002 0.000 0.344 369 H C 0.456 175.740 175.328 -0.073 0.000 1.192 369 H CA 0.044 56.027 56.048 -0.108 0.000 1.290 369 H CB 1.022 30.756 29.762 -0.048 0.000 1.571 369 H HN 0.370 nan 8.280 nan 0.000 0.555 370 T N -1.401 113.151 114.554 -0.004 0.000 2.907 370 T HA 0.546 4.895 4.350 -0.002 0.000 0.292 370 T C -0.440 174.182 174.700 -0.131 0.000 1.043 370 T CA -0.999 61.068 62.100 -0.054 0.000 1.003 370 T CB 0.781 69.600 68.868 -0.081 0.000 1.084 370 T HN 0.487 nan 8.240 nan 0.000 0.483 371 V N 0.642 120.417 119.914 -0.231 0.000 2.649 371 V HA 0.591 4.710 4.120 -0.002 0.000 0.292 371 V C 1.292 177.240 176.094 -0.244 0.000 1.055 371 V CA 0.200 62.263 62.300 -0.395 0.000 1.023 371 V CB 0.608 32.105 31.823 -0.545 0.000 0.992 371 V HN 1.219 nan 8.190 nan 0.000 0.480 372 T N -0.012 114.406 114.554 -0.226 0.000 3.014 372 T HA 0.248 4.597 4.350 -0.002 0.000 0.250 372 T C 0.551 175.191 174.700 -0.101 0.000 1.060 372 T CA 0.388 62.408 62.100 -0.134 0.000 1.040 372 T CB -0.093 68.717 68.868 -0.097 0.000 0.971 372 T HN 0.927 nan 8.240 nan 0.000 0.497 373 K N 0.113 120.441 120.400 -0.121 0.000 2.208 373 K HA 0.549 4.868 4.320 -0.002 0.000 0.241 373 K C -1.513 175.030 176.600 -0.095 0.000 1.087 373 K CA -0.942 55.296 56.287 -0.082 0.000 0.883 373 K CB 0.526 32.995 32.500 -0.052 0.000 1.360 373 K HN -0.195 nan 8.250 nan 0.000 0.496 374 D N 1.864 122.229 120.400 -0.058 0.000 2.424 374 D HA 0.203 4.842 4.640 -0.002 0.000 0.244 374 D C -0.703 175.570 176.300 -0.044 0.000 1.134 374 D CA 0.496 54.468 54.000 -0.046 0.000 0.881 374 D CB 1.007 41.797 40.800 -0.016 0.000 1.191 374 D HN 0.458 nan 8.370 nan 0.000 0.445 375 T N 1.366 115.896 114.554 -0.041 0.000 2.886 375 T HA 0.276 4.625 4.350 -0.002 0.000 0.292 375 T C -0.108 174.650 174.700 0.098 0.000 1.012 375 T CA -1.022 61.070 62.100 -0.014 0.000 0.982 375 T CB 1.788 70.568 68.868 -0.147 0.000 1.018 375 T HN 0.065 nan 8.240 nan 0.000 0.451 376 Q N 2.188 122.072 119.800 0.140 0.000 2.490 376 Q HA 0.306 4.645 4.340 -0.002 0.000 0.226 376 Q C -1.469 174.713 176.000 0.303 0.000 1.132 376 Q CA -0.197 55.713 55.803 0.177 0.000 0.928 376 Q CB 0.284 29.093 28.738 0.120 0.000 1.299 376 Q HN 0.618 nan 8.270 nan 0.000 0.528 377 F N 2.832 122.882 119.950 0.167 0.000 2.366 377 F HA 0.293 4.819 4.527 -0.002 0.000 0.366 377 F C 0.401 176.354 175.800 0.254 0.000 1.096 377 F CA -0.814 57.308 58.000 0.203 0.000 1.060 377 F CB 0.493 39.631 39.000 0.230 0.000 1.282 377 F HN 0.489 nan 8.300 nan 0.000 0.450 378 R N 4.006 124.352 120.500 -0.257 0.000 3.264 378 R HA -0.191 4.148 4.340 -0.002 0.000 0.251 378 R C 0.817 177.136 176.300 0.031 0.000 0.971 378 R CA 0.747 56.712 56.100 -0.226 0.000 0.658 378 R CB -1.646 28.363 30.300 -0.487 0.000 1.095 378 R HN 1.289 nan 8.270 nan 0.000 0.443 379 G N -0.372 108.424 108.800 -0.007 0.000 2.350 379 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.298 379 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.298 379 G C -0.496 174.200 174.900 -0.340 0.000 1.037 379 G CA 0.669 45.689 45.100 -0.133 0.000 1.074 379 G HN 0.517 nan 8.290 nan 0.000 0.511 380 Y N -2.493 117.836 120.300 0.049 0.000 2.655 380 Y HA 0.619 5.168 4.550 -0.002 0.000 0.336 380 Y C -0.036 175.918 175.900 0.091 0.000 1.154 380 Y CA -1.151 56.995 58.100 0.077 0.000 1.055 380 Y CB 2.032 40.560 38.460 0.114 0.000 1.295 380 Y HN 0.170 nan 8.280 nan 0.000 0.465 381 V N 3.304 123.365 119.914 0.245 0.000 2.407 381 V HA 0.431 4.550 4.120 -0.002 0.000 0.291 381 V C -0.754 175.417 176.094 0.129 0.000 1.018 381 V CA -0.650 61.741 62.300 0.152 0.000 0.842 381 V CB 1.222 33.096 31.823 0.085 0.000 0.996 381 V HN 0.476 nan 8.190 nan 0.000 0.426 382 I N 8.913 129.534 120.570 0.085 0.000 2.306 382 I HA 0.347 4.516 4.170 -0.002 0.000 0.288 382 I C -2.071 174.024 176.117 -0.037 0.000 1.036 382 I CA -1.944 59.361 61.300 0.009 0.000 1.221 382 I CB 1.631 39.606 38.000 -0.042 0.000 1.385 382 I HN 0.400 nan 8.210 nan 0.000 0.472 383 P HA -0.035 nan 4.420 nan 0.000 0.269 383 P C -0.435 176.826 177.300 -0.065 0.000 1.215 383 P CA -0.405 62.676 63.100 -0.031 0.000 0.780 383 P CB 0.672 32.364 31.700 -0.013 0.000 0.898 384 K N 2.695 123.058 120.400 -0.061 0.000 2.550 384 K HA -0.130 4.189 4.320 -0.002 0.000 0.280 384 K C 0.685 177.241 176.600 -0.073 0.000 0.987 384 K CA 0.444 56.685 56.287 -0.077 0.000 1.048 384 K CB -0.468 31.999 32.500 -0.054 0.000 0.879 384 K HN 0.448 nan 8.250 nan 0.000 0.491 385 N N 1.391 120.035 118.700 -0.092 0.000 2.925 385 N HA -0.141 4.598 4.740 -0.002 0.000 0.244 385 N C -1.185 174.283 175.510 -0.069 0.000 1.000 385 N CA 1.375 54.380 53.050 -0.075 0.000 0.895 385 N CB -1.166 37.291 38.487 -0.051 0.000 1.119 385 N HN 0.724 nan 8.380 nan 0.000 0.569 386 T N 0.829 115.331 114.554 -0.086 0.000 2.856 386 T HA 0.228 4.577 4.350 -0.002 0.000 0.292 386 T C 0.499 175.157 174.700 -0.069 0.000 0.980 386 T CA -0.391 61.661 62.100 -0.080 0.000 1.091 386 T CB 2.353 71.164 68.868 -0.094 0.000 0.936 386 T HN 0.064 nan 8.240 nan 0.000 0.503 387 E N 1.656 121.836 120.200 -0.033 0.000 2.376 387 E HA 0.286 4.635 4.350 -0.002 0.000 0.266 387 E C -0.974 175.664 176.600 0.063 0.000 1.009 387 E CA -0.256 56.171 56.400 0.045 0.000 0.902 387 E CB 0.458 30.229 29.700 0.117 0.000 0.972 387 E HN 0.338 nan 8.360 nan 0.000 0.439 388 V N 5.338 125.333 119.914 0.134 0.000 2.495 388 V HA 0.296 4.415 4.120 -0.002 0.000 0.298 388 V C -0.854 175.388 176.094 0.247 0.000 1.031 388 V CA -0.681 61.696 62.300 0.127 0.000 0.871 388 V CB 1.231 33.136 31.823 0.137 0.000 0.988 388 V HN 0.553 nan 8.190 nan 0.000 0.432 389 F N 5.800 125.622 119.950 -0.214 0.000 2.293 389 F HA 0.473 4.999 4.527 -0.002 0.000 0.370 389 F C -2.252 173.423 175.800 -0.209 0.000 1.090 389 F CA -3.241 54.647 58.000 -0.186 0.000 1.133 389 F CB 1.334 40.126 39.000 -0.347 0.000 1.360 389 F HN 0.288 nan 8.300 nan 0.000 0.489 390 P HA 0.101 nan 4.420 nan 0.000 0.275 390 P C -0.335 176.946 177.300 -0.032 0.000 1.276 390 P CA -0.084 62.931 63.100 -0.143 0.000 0.782 390 P CB 0.822 32.361 31.700 -0.269 0.000 0.851 391 V N 6.020 125.936 119.914 0.003 0.000 2.352 391 V HA 0.028 4.147 4.120 -0.002 0.000 0.253 391 V C 1.829 177.947 176.094 0.040 0.000 1.083 391 V CA 0.214 62.577 62.300 0.104 0.000 0.993 391 V CB -0.415 31.490 31.823 0.137 0.000 1.111 391 V HN 0.497 nan 8.190 nan 0.000 0.490 392 L N 2.847 124.073 121.223 0.004 0.000 2.141 392 L HA -0.077 4.262 4.340 -0.002 0.000 0.209 392 L C 2.466 179.316 176.870 -0.035 0.000 1.094 392 L CA 1.377 56.191 54.840 -0.042 0.000 0.763 392 L CB -0.474 41.529 42.059 -0.093 0.000 0.908 392 L HN 0.676 nan 8.230 nan 0.000 0.437 393 S N -0.254 115.418 115.700 -0.046 0.000 2.500 393 S HA -0.137 4.332 4.470 -0.002 0.000 0.239 393 S C 2.083 176.612 174.600 -0.118 0.000 0.989 393 S CA 1.281 59.387 58.200 -0.156 0.000 0.951 393 S CB -0.194 62.893 63.200 -0.189 0.000 0.759 393 S HN 0.606 nan 8.310 nan 0.000 0.523 394 S N -0.369 115.344 115.700 0.023 0.000 2.524 394 S HA 0.429 4.898 4.470 -0.002 0.000 0.216 394 S C 1.702 176.384 174.600 0.137 0.000 0.987 394 S CA 0.367 58.625 58.200 0.098 0.000 0.909 394 S CB 0.073 63.344 63.200 0.117 0.000 0.781 394 S HN 0.512 nan 8.310 nan 0.000 0.521 395 A N 1.840 124.724 122.820 0.107 0.000 1.924 395 A HA 0.452 4.771 4.320 -0.002 0.000 0.211 395 A C 2.073 179.827 177.584 0.282 0.000 1.198 395 A CA 0.418 52.532 52.037 0.129 0.000 0.657 395 A CB -0.560 18.460 19.000 0.032 0.000 0.852 395 A HN 0.487 nan 8.150 nan 0.000 0.454 396 L N -1.072 120.298 121.223 0.245 0.000 2.291 396 L HA -0.056 4.283 4.340 -0.002 0.000 0.214 396 L C 1.350 178.460 176.870 0.401 0.000 1.120 396 L CA 0.797 55.829 54.840 0.320 0.000 0.799 396 L CB -0.336 41.827 42.059 0.173 0.000 0.925 396 L HN 0.406 nan 8.230 nan 0.000 0.446 397 H N -1.780 117.382 119.070 0.152 0.000 2.505 397 H HA 0.162 4.717 4.556 -0.002 0.000 0.286 397 H C -0.349 175.125 175.328 0.244 0.000 1.072 397 H CA -0.993 55.140 56.048 0.142 0.000 1.141 397 H CB -0.246 29.576 29.762 0.100 0.000 1.550 397 H HN 0.023 nan 8.280 nan 0.000 0.547 398 D N 1.554 122.226 120.400 0.453 0.000 2.363 398 D HA 0.019 4.658 4.640 -0.002 0.000 0.263 398 D C -1.532 174.948 176.300 0.300 0.000 1.258 398 D CA -1.877 52.328 54.000 0.341 0.000 0.907 398 D CB 1.359 42.351 40.800 0.320 0.000 1.107 398 D HN 0.101 nan 8.370 nan 0.000 0.495 399 P HA -0.058 nan 4.420 nan 0.000 0.222 399 P C 0.867 178.200 177.300 0.055 0.000 1.147 399 P CA 0.767 63.948 63.100 0.135 0.000 0.790 399 P CB 0.230 31.991 31.700 0.101 0.000 0.780 400 R N -2.307 118.215 120.500 0.038 0.000 2.328 400 R HA -0.044 4.295 4.340 -0.002 0.000 0.207 400 R C 0.998 177.018 176.300 -0.467 0.000 1.056 400 R CA 1.098 57.104 56.100 -0.157 0.000 1.016 400 R CB -0.285 29.937 30.300 -0.131 0.000 0.872 400 R HN 0.357 nan 8.270 nan 0.000 0.471 401 Y N -2.516 117.674 120.300 -0.183 0.000 2.435 401 Y HA 0.244 4.793 4.550 -0.002 0.000 0.270 401 Y C -0.205 175.309 175.900 -0.644 0.000 1.093 401 Y CA -0.494 57.336 58.100 -0.451 0.000 1.226 401 Y CB 0.911 38.979 38.460 -0.654 0.000 1.289 401 Y HN -0.200 nan 8.280 nan 0.000 0.529 402 F N 1.152 121.146 119.950 0.074 0.000 2.507 402 F HA 0.387 4.913 4.527 -0.002 0.000 0.328 402 F C 0.046 175.847 175.800 0.002 0.000 1.136 402 F CA -1.686 56.283 58.000 -0.050 0.000 0.930 402 F CB 1.068 39.909 39.000 -0.264 0.000 1.166 402 F HN -0.233 nan 8.300 nan 0.000 0.436 403 E N 0.470 120.812 120.200 0.236 0.000 2.442 403 E HA 0.044 4.393 4.350 -0.002 0.000 0.262 403 E C 0.551 177.293 176.600 0.237 0.000 1.004 403 E CA 0.552 57.067 56.400 0.191 0.000 0.928 403 E CB 0.457 30.251 29.700 0.156 0.000 0.937 403 E HN 0.733 nan 8.360 nan 0.000 0.446 404 T N 3.194 117.835 114.554 0.146 0.000 3.506 404 T HA -0.086 4.263 4.350 -0.002 0.000 0.407 404 T C -2.089 172.684 174.700 0.122 0.000 0.766 404 T CA 0.169 62.343 62.100 0.123 0.000 2.070 404 T CB -0.441 68.489 68.868 0.104 0.000 1.712 404 T HN 0.328 nan 8.240 nan 0.000 0.692 405 P HA 0.169 nan 4.420 nan 0.000 0.245 405 P C 0.961 178.151 177.300 -0.183 0.000 1.206 405 P CA 0.270 63.328 63.100 -0.071 0.000 0.781 405 P CB 0.197 31.893 31.700 -0.007 0.000 0.994 406 N N -0.794 117.867 118.700 -0.065 0.000 2.268 406 N HA 0.065 4.804 4.740 -0.002 0.000 0.204 406 N C -0.047 175.489 175.510 0.045 0.000 1.124 406 N CA 0.503 53.518 53.050 -0.059 0.000 0.838 406 N CB 0.162 38.660 38.487 0.018 0.000 0.994 406 N HN 0.118 nan 8.380 nan 0.000 0.489 407 T N 0.518 115.122 114.554 0.084 0.000 2.855 407 T HA 0.264 4.613 4.350 -0.002 0.000 0.281 407 T C -0.329 174.494 174.700 0.206 0.000 1.007 407 T CA -0.615 61.583 62.100 0.163 0.000 1.009 407 T CB 1.543 70.500 68.868 0.149 0.000 0.983 407 T HN -0.038 nan 8.240 nan 0.000 0.455 408 F N 3.739 123.709 119.950 0.035 0.000 2.541 408 F HA 0.410 4.936 4.527 -0.002 0.000 0.378 408 F C 0.345 176.069 175.800 -0.126 0.000 1.068 408 F CA -0.309 57.646 58.000 -0.076 0.000 1.199 408 F CB 0.007 38.831 39.000 -0.294 0.000 1.091 408 F HN 0.447 nan 8.300 nan 0.000 0.555 409 N N 7.751 126.125 118.700 -0.543 0.000 2.655 409 N HA 0.308 5.047 4.740 -0.002 0.000 0.277 409 N C -2.435 172.730 175.510 -0.575 0.000 1.177 409 N CA -1.795 50.882 53.050 -0.623 0.000 0.882 409 N CB 1.977 40.149 38.487 -0.526 0.000 1.481 409 N HN 0.089 nan 8.380 nan 0.000 0.547 410 P HA -0.012 nan 4.420 nan 0.000 0.221 410 P C 1.251 178.453 177.300 -0.163 0.000 1.145 410 P CA 0.973 63.853 63.100 -0.367 0.000 0.795 410 P CB 0.199 31.646 31.700 -0.421 0.000 0.775 411 G N -0.173 108.483 108.800 -0.239 0.000 2.503 411 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.221 411 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.221 411 G C 1.063 175.837 174.900 -0.210 0.000 1.131 411 G CA 1.134 46.111 45.100 -0.206 0.000 0.756 411 G HN 0.348 nan 8.290 nan 0.000 0.572 412 H N -0.638 118.329 119.070 -0.172 0.000 2.437 412 H HA -0.104 4.451 4.556 -0.002 0.000 0.296 412 H C 1.249 176.220 175.328 -0.595 0.000 1.121 412 H CA 1.522 57.361 56.048 -0.349 0.000 1.255 412 H CB -0.233 29.280 29.762 -0.416 0.000 1.366 412 H HN 0.497 nan 8.280 nan 0.000 0.512 413 F N 0.115 120.058 119.950 -0.011 0.000 2.684 413 F HA 0.308 4.834 4.527 -0.001 0.000 0.298 413 F C -0.237 175.498 175.800 -0.109 0.000 1.120 413 F CA -0.138 57.803 58.000 -0.098 0.000 1.332 413 F CB 0.501 39.345 39.000 -0.261 0.000 0.986 413 F HN -0.084 nan 8.300 nan 0.000 0.524 414 L N 0.538 121.777 121.223 0.027 0.000 2.386 414 L HA 0.426 4.765 4.340 -0.002 0.000 0.271 414 L C -0.453 176.418 176.870 0.001 0.000 0.993 414 L CA -1.133 53.721 54.840 0.023 0.000 0.819 414 L CB 1.714 43.801 42.059 0.046 0.000 1.294 414 L HN -0.014 nan 8.230 nan 0.000 0.414 415 D N 1.874 122.278 120.400 0.006 0.000 2.507 415 D HA 0.284 4.923 4.640 -0.002 0.000 0.280 415 D C 1.025 177.326 176.300 0.001 0.000 1.219 415 D CA -0.191 53.808 54.000 -0.001 0.000 1.085 415 D CB 0.788 41.589 40.800 0.001 0.000 1.134 415 D HN 0.464 nan 8.370 nan 0.000 0.583 416 A N -0.590 122.228 122.820 -0.003 0.000 2.019 416 A HA -0.176 4.143 4.320 -0.002 0.000 0.219 416 A C 1.601 179.186 177.584 0.001 0.000 1.164 416 A CA 1.126 53.161 52.037 -0.003 0.000 0.644 416 A CB -0.710 18.287 19.000 -0.005 0.000 0.805 416 A HN 0.562 nan 8.150 nan 0.000 0.449 417 N N -1.232 117.470 118.700 0.004 0.000 2.280 417 N HA 0.138 4.877 4.740 -0.002 0.000 0.192 417 N C 1.073 176.590 175.510 0.012 0.000 1.109 417 N CA 0.933 53.986 53.050 0.006 0.000 0.855 417 N CB 0.573 39.063 38.487 0.005 0.000 0.974 417 N HN 0.612 nan 8.380 nan 0.000 0.482 418 G N 0.611 109.423 108.800 0.019 0.000 2.141 418 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.242 418 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.242 418 G C 0.299 175.224 174.900 0.042 0.000 0.982 418 G CA 0.222 45.345 45.100 0.037 0.000 0.662 418 G HN 0.584 nan 8.290 nan 0.000 0.527 419 A N -0.589 122.247 122.820 0.025 0.000 2.366 419 A HA 0.740 5.059 4.320 -0.002 0.000 0.249 419 A C 0.525 178.117 177.584 0.013 0.000 1.084 419 A CA 0.309 52.356 52.037 0.018 0.000 0.794 419 A CB 0.677 19.684 19.000 0.011 0.000 1.034 419 A HN 1.617 nan 8.150 nan 0.000 0.491 420 L N 0.582 121.803 121.223 -0.003 0.000 2.371 420 L HA 0.524 4.863 4.340 -0.002 0.000 0.272 420 L C 0.264 177.134 176.870 0.001 0.000 1.124 420 L CA 0.126 54.950 54.840 -0.026 0.000 0.816 420 L CB 0.794 42.805 42.059 -0.081 0.000 1.129 420 L HN 0.692 nan 8.230 nan 0.000 0.448 421 K N 5.005 125.421 120.400 0.027 0.000 2.502 421 K HA 0.472 4.791 4.320 -0.002 0.000 0.254 421 K C -0.677 175.985 176.600 0.102 0.000 0.947 421 K CA -0.644 55.669 56.287 0.045 0.000 0.834 421 K CB 1.019 33.531 32.500 0.019 0.000 1.112 421 K HN 0.696 nan 8.250 nan 0.000 0.427 422 R N 2.106 122.672 120.500 0.109 0.000 2.811 422 R HA 0.050 4.389 4.340 -0.002 0.000 0.265 422 R C -0.026 176.376 176.300 0.170 0.000 1.026 422 R CA -0.030 56.177 56.100 0.177 0.000 1.142 422 R CB 0.250 30.634 30.300 0.141 0.000 1.027 422 R HN 0.600 nan 8.270 nan 0.000 0.465 423 N N 0.196 119.042 118.700 0.244 0.000 2.425 423 N HA 0.019 4.758 4.740 -0.002 0.000 0.289 423 N C -0.102 175.497 175.510 0.147 0.000 1.074 423 N CA -0.278 52.864 53.050 0.153 0.000 0.905 423 N CB 1.535 40.077 38.487 0.090 0.000 1.586 423 N HN 0.425 nan 8.380 nan 0.000 0.490 424 E N 2.077 122.274 120.200 -0.005 0.000 2.153 424 E HA -0.036 4.313 4.350 -0.002 0.000 0.194 424 E C 1.337 177.766 176.600 -0.286 0.000 0.988 424 E CA 1.191 57.503 56.400 -0.146 0.000 0.811 424 E CB -0.164 29.381 29.700 -0.259 0.000 0.746 424 E HN 0.788 nan 8.360 nan 0.000 0.466 425 G N -0.028 108.500 108.800 -0.453 0.000 2.744 425 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.211 425 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.211 425 G C 0.167 175.232 174.900 0.275 0.000 1.143 425 G CA -0.411 44.498 45.100 -0.317 0.000 0.788 425 G HN 0.115 nan 8.290 nan 0.000 0.534 426 F N 2.625 122.732 119.950 0.261 0.000 2.423 426 F HA 0.512 5.038 4.527 -0.002 0.000 0.356 426 F C 0.706 176.610 175.800 0.172 0.000 1.170 426 F CA -1.532 56.692 58.000 0.372 0.000 1.163 426 F CB 0.452 39.805 39.000 0.587 0.000 1.318 426 F HN 0.079 nan 8.300 nan 0.000 0.569 427 M N 6.836 126.263 119.600 -0.288 0.000 3.287 427 M HA 0.364 4.843 4.480 -0.002 0.000 0.336 427 M C -2.607 173.470 176.300 -0.373 0.000 1.573 427 M CA -1.350 53.776 55.300 -0.290 0.000 0.609 427 M CB 0.895 33.419 32.600 -0.126 0.000 1.421 427 M HN 0.105 nan 8.290 nan 0.000 0.476 428 P HA 0.060 nan 4.420 nan 0.000 0.241 428 P C 0.252 177.227 177.300 -0.542 0.000 1.191 428 P CA 0.744 63.498 63.100 -0.576 0.000 0.771 428 P CB -0.047 31.205 31.700 -0.747 0.000 0.929 429 F N -0.403 119.385 119.950 -0.271 0.000 2.639 429 F HA 0.300 4.826 4.527 -0.002 0.000 0.302 429 F C 1.334 177.049 175.800 -0.141 0.000 1.097 429 F CA 0.048 57.939 58.000 -0.183 0.000 1.294 429 F CB -0.232 38.669 39.000 -0.164 0.000 1.027 429 F HN -0.122 nan 8.300 nan 0.000 0.550 430 S N 0.092 115.774 115.700 -0.031 0.000 3.697 430 S HA -0.159 4.310 4.470 -0.002 0.000 0.638 430 S C -0.773 173.820 174.600 -0.012 0.000 2.176 430 S CA 0.120 58.299 58.200 -0.034 0.000 2.349 430 S CB -0.707 62.492 63.200 -0.001 0.000 0.329 430 S HN 0.214 nan 8.310 nan 0.000 1.794 431 L N 0.807 122.015 121.223 -0.025 0.000 2.409 431 L HA 0.758 5.097 4.340 -0.002 0.000 0.255 431 L C 0.855 177.729 176.870 0.006 0.000 1.027 431 L CA -0.151 54.679 54.840 -0.017 0.000 0.834 431 L CB 1.680 43.708 42.059 -0.051 0.000 1.426 431 L HN 1.596 nan 8.230 nan 0.000 0.411 432 G N 0.593 109.408 108.800 0.025 0.000 2.443 432 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.209 432 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.209 432 G C 0.027 174.987 174.900 0.099 0.000 1.176 432 G CA 0.037 45.167 45.100 0.049 0.000 1.074 432 G HN 0.569 nan 8.290 nan 0.000 0.577 433 K N 0.058 120.545 120.400 0.145 0.000 2.361 433 K HA 0.169 4.488 4.320 -0.002 0.000 0.196 433 K C 2.081 178.873 176.600 0.319 0.000 1.039 433 K CA 0.251 56.676 56.287 0.230 0.000 1.001 433 K CB 0.004 32.671 32.500 0.277 0.000 0.795 433 K HN 0.192 nan 8.250 nan 0.000 0.495 434 R N 0.669 121.286 120.500 0.195 0.000 2.393 434 R HA 0.197 4.536 4.340 -0.002 0.000 0.244 434 R C 0.504 176.873 176.300 0.115 0.000 0.920 434 R CA -0.215 55.969 56.100 0.141 0.000 1.076 434 R CB -0.103 30.142 30.300 -0.092 0.000 1.119 434 R HN 0.211 nan 8.270 nan 0.000 0.524 435 I N 1.437 122.071 120.570 0.107 0.000 2.880 435 I HA -0.174 3.995 4.170 -0.002 0.000 0.296 435 I C 0.742 176.888 176.117 0.048 0.000 1.220 435 I CA 0.198 61.536 61.300 0.064 0.000 1.435 435 I CB 0.636 38.657 38.000 0.035 0.000 1.339 435 I HN 0.178 nan 8.210 nan 0.000 0.583 436 C N 7.662 126.992 119.300 0.049 0.000 2.437 436 C HA -0.074 4.385 4.460 -0.002 0.000 0.399 436 C C 1.613 176.588 174.990 -0.024 0.000 1.478 436 C CA -0.109 58.932 59.018 0.039 0.000 1.538 436 C CB -0.699 27.138 27.740 0.161 0.000 2.506 436 C HN 0.894 nan 8.230 nan 0.000 0.603 437 L N 5.155 126.372 121.223 -0.010 0.000 2.395 437 L HA 0.225 4.564 4.340 -0.002 0.000 0.218 437 L C 2.173 179.011 176.870 -0.052 0.000 1.130 437 L CA 1.985 56.810 54.840 -0.025 0.000 0.826 437 L CB -0.150 41.911 42.059 0.002 0.000 0.941 437 L HN 0.978 nan 8.230 nan 0.000 0.451 438 G N -2.051 106.717 108.800 -0.054 0.000 3.159 438 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.232 438 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.232 438 G C 1.180 176.005 174.900 -0.124 0.000 1.116 438 G CA 0.109 45.176 45.100 -0.054 0.000 0.767 438 G HN 0.340 nan 8.290 nan 0.000 0.547 439 E N 1.017 121.052 120.200 -0.276 0.000 2.095 439 E HA -0.223 4.126 4.350 -0.002 0.000 0.212 439 E C 2.543 178.866 176.600 -0.462 0.000 1.044 439 E CA 1.686 57.667 56.400 -0.699 0.000 0.857 439 E CB -0.566 28.621 29.700 -0.854 0.000 0.764 439 E HN 0.293 nan 8.360 nan 0.000 0.462 440 G N 1.004 109.636 108.800 -0.280 0.000 2.505 440 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.220 440 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.220 440 G C 1.639 176.471 174.900 -0.114 0.000 1.145 440 G CA 1.345 46.341 45.100 -0.173 0.000 0.761 440 G HN 0.325 nan 8.290 nan 0.000 0.571 441 I N 1.146 121.664 120.570 -0.086 0.000 2.193 441 I HA -0.064 4.105 4.170 -0.002 0.000 0.240 441 I C 3.324 179.445 176.117 0.007 0.000 1.084 441 I CA 0.830 62.111 61.300 -0.031 0.000 1.365 441 I CB -0.424 37.569 38.000 -0.010 0.000 1.064 441 I HN 0.227 nan 8.210 nan 0.000 0.410 442 A N 1.129 123.969 122.820 0.033 0.000 1.915 442 A HA -0.289 4.030 4.320 -0.002 0.000 0.220 442 A C 2.409 180.078 177.584 0.141 0.000 1.198 442 A CA 2.097 54.219 52.037 0.142 0.000 0.647 442 A CB -0.762 18.438 19.000 0.334 0.000 0.825 442 A HN 0.365 nan 8.150 nan 0.000 0.456 443 R N -1.589 118.953 120.500 0.071 0.000 2.090 443 R HA -0.048 4.291 4.340 -0.002 0.000 0.228 443 R C 2.259 178.606 176.300 0.078 0.000 1.110 443 R CA 1.585 57.735 56.100 0.084 0.000 0.973 443 R CB -0.610 29.692 30.300 0.004 0.000 0.869 443 R HN 0.567 nan 8.270 nan 0.000 0.440 444 T N 0.965 115.535 114.554 0.026 0.000 2.821 444 T HA -0.108 4.241 4.350 -0.002 0.000 0.267 444 T C 1.528 176.202 174.700 -0.044 0.000 1.046 444 T CA 1.146 63.258 62.100 0.020 0.000 1.139 444 T CB -0.034 68.820 68.868 -0.023 0.000 0.871 444 T HN 0.346 nan 8.240 nan 0.000 0.454 445 E N 0.799 120.958 120.200 -0.068 0.000 2.031 445 E HA -0.066 4.283 4.350 -0.002 0.000 0.193 445 E C 2.263 178.834 176.600 -0.047 0.000 0.994 445 E CA 0.898 57.181 56.400 -0.196 0.000 0.800 445 E CB -0.312 29.457 29.700 0.116 0.000 0.752 445 E HN 0.404 nan 8.360 nan 0.000 0.447 446 L N 0.092 121.386 121.223 0.118 0.000 1.971 446 L HA -0.221 4.118 4.340 -0.002 0.000 0.215 446 L C 2.531 179.502 176.870 0.169 0.000 1.072 446 L CA 1.449 56.385 54.840 0.160 0.000 0.758 446 L CB -0.520 41.612 42.059 0.122 0.000 0.889 446 L HN 0.149 nan 8.230 nan 0.000 0.433 447 F N 0.137 120.106 119.950 0.031 0.000 2.234 447 F HA -0.150 4.376 4.527 -0.002 0.000 0.299 447 F C 2.121 177.956 175.800 0.059 0.000 1.087 447 F CA 1.297 59.334 58.000 0.061 0.000 1.340 447 F CB 0.045 39.063 39.000 0.030 0.000 1.031 447 F HN -0.106 nan 8.300 nan 0.000 0.500 448 L N -1.395 119.787 121.223 -0.068 0.000 2.127 448 L HA -0.113 4.226 4.340 -0.002 0.000 0.203 448 L C 2.324 179.099 176.870 -0.159 0.000 1.080 448 L CA 0.545 55.256 54.840 -0.215 0.000 0.768 448 L CB -0.852 41.072 42.059 -0.225 0.000 0.924 448 L HN 0.049 nan 8.230 nan 0.000 0.444 449 F N -0.213 119.770 119.950 0.055 0.000 2.095 449 F HA -0.247 4.278 4.527 -0.002 0.000 0.298 449 F C 2.397 178.283 175.800 0.145 0.000 1.104 449 F CA 1.278 59.313 58.000 0.058 0.000 1.232 449 F CB -1.125 37.872 39.000 -0.005 0.000 0.987 449 F HN -0.065 nan 8.300 nan 0.000 0.475 450 F N 1.201 121.253 119.950 0.171 0.000 2.186 450 F HA -0.166 4.360 4.527 -0.002 0.000 0.299 450 F C 2.692 178.502 175.800 0.018 0.000 1.090 450 F CA 1.891 59.967 58.000 0.127 0.000 1.307 450 F CB -0.686 38.316 39.000 0.004 0.000 1.019 450 F HN 0.043 nan 8.300 nan 0.000 0.489 451 T N -3.975 110.541 114.554 -0.064 0.000 2.985 451 T HA -0.074 4.275 4.350 -0.002 0.000 0.266 451 T C 1.823 176.464 174.700 -0.098 0.000 1.076 451 T CA 1.472 63.452 62.100 -0.200 0.000 1.135 451 T CB -0.767 67.836 68.868 -0.441 0.000 0.890 451 T HN 0.186 nan 8.240 nan 0.000 0.480 452 T N 2.139 116.683 114.554 -0.017 0.000 2.809 452 T HA 0.212 4.561 4.350 -0.002 0.000 0.260 452 T C 1.901 176.678 174.700 0.130 0.000 1.039 452 T CA 0.923 63.055 62.100 0.053 0.000 1.141 452 T CB -0.365 68.564 68.868 0.101 0.000 0.869 452 T HN 0.350 nan 8.240 nan 0.000 0.437 453 I N 1.057 121.747 120.570 0.200 0.000 2.118 453 I HA -0.178 3.991 4.170 -0.002 0.000 0.241 453 I C 2.299 178.601 176.117 0.308 0.000 1.070 453 I CA 1.434 62.923 61.300 0.315 0.000 1.327 453 I CB -0.425 37.777 38.000 0.337 0.000 1.034 453 I HN 0.182 nan 8.210 nan 0.000 0.405 454 L N 0.211 121.509 121.223 0.125 0.000 2.275 454 L HA -0.224 4.115 4.340 -0.002 0.000 0.215 454 L C 2.633 179.520 176.870 0.028 0.000 1.119 454 L CA 1.133 55.995 54.840 0.037 0.000 0.790 454 L CB -0.487 41.444 42.059 -0.214 0.000 0.919 454 L HN 0.442 nan 8.230 nan 0.000 0.443 455 Q N -0.008 119.796 119.800 0.006 0.000 2.230 455 Q HA -0.143 4.196 4.340 -0.002 0.000 0.202 455 Q C 1.441 177.397 176.000 -0.073 0.000 0.963 455 Q CA 1.216 57.000 55.803 -0.032 0.000 0.866 455 Q CB 0.246 28.961 28.738 -0.038 0.000 0.931 455 Q HN 0.545 nan 8.270 nan 0.000 0.452 456 N N -1.400 117.248 118.700 -0.086 0.000 2.273 456 N HA 0.143 4.882 4.740 -0.002 0.000 0.192 456 N C -0.875 174.226 175.510 -0.681 0.000 1.132 456 N CA 0.158 52.978 53.050 -0.383 0.000 0.887 456 N CB 0.845 39.054 38.487 -0.464 0.000 1.048 456 N HN 0.024 nan 8.380 nan 0.000 0.490 457 F N 0.281 120.283 119.950 0.086 0.000 2.599 457 F HA 0.384 4.910 4.527 -0.002 0.000 0.311 457 F C -0.062 175.809 175.800 0.118 0.000 1.076 457 F CA -0.795 57.284 58.000 0.132 0.000 0.937 457 F CB 1.784 40.940 39.000 0.260 0.000 1.282 457 F HN -0.363 nan 8.300 nan 0.000 0.460 458 S N 2.832 118.701 115.700 0.282 0.000 2.537 458 S HA 0.774 5.243 4.470 -0.002 0.000 0.301 458 S C -0.499 174.163 174.600 0.103 0.000 1.092 458 S CA -0.753 57.544 58.200 0.161 0.000 1.048 458 S CB 1.464 64.718 63.200 0.090 0.000 1.053 458 S HN 0.556 nan 8.310 nan 0.000 0.501 459 I N -0.707 119.881 120.570 0.031 0.000 2.982 459 I HA 1.013 5.182 4.170 -0.002 0.000 0.312 459 I C -0.466 175.592 176.117 -0.098 0.000 1.041 459 I CA -1.178 60.046 61.300 -0.127 0.000 1.053 459 I CB 1.723 39.663 38.000 -0.099 0.000 1.248 459 I HN 0.717 nan 8.210 nan 0.000 0.471 460 A N 2.122 124.849 122.820 -0.155 0.000 2.583 460 A HA 0.681 5.000 4.320 -0.002 0.000 0.292 460 A C -0.908 176.610 177.584 -0.110 0.000 1.045 460 A CA -0.004 51.974 52.037 -0.098 0.000 0.672 460 A CB 1.117 20.074 19.000 -0.071 0.000 1.283 460 A HN 1.266 nan 8.150 nan 0.000 0.419 461 S N 0.733 116.388 115.700 -0.074 0.000 2.607 461 S HA 0.845 5.314 4.470 -0.002 0.000 0.273 461 S C -2.102 172.471 174.600 -0.044 0.000 1.148 461 S CA -0.428 57.738 58.200 -0.058 0.000 0.833 461 S CB 1.536 64.711 63.200 -0.042 0.000 1.130 461 S HN 0.561 nan 8.310 nan 0.000 0.470 462 P HA 0.030 nan 4.420 nan 0.000 0.215 462 P C 0.347 177.630 177.300 -0.029 0.000 1.157 462 P CA 0.713 63.796 63.100 -0.028 0.000 0.863 462 P CB -0.524 31.163 31.700 -0.021 0.000 0.787 463 V N 4.485 124.382 119.914 -0.029 0.000 2.475 463 V HA 0.033 4.152 4.120 -0.002 0.000 0.292 463 V C -1.676 174.388 176.094 -0.051 0.000 1.003 463 V CA -0.873 61.406 62.300 -0.036 0.000 1.120 463 V CB -0.491 31.310 31.823 -0.036 0.000 0.937 463 V HN 0.215 nan 8.190 nan 0.000 0.476 464 P HA 0.204 nan 4.420 nan 0.000 0.272 464 P C -2.232 175.020 177.300 -0.081 0.000 1.223 464 P CA -1.785 61.281 63.100 -0.057 0.000 0.784 464 P CB 0.544 32.217 31.700 -0.045 0.000 0.923 465 P HA -0.222 nan 4.420 nan 0.000 0.218 465 P C 1.283 178.484 177.300 -0.164 0.000 1.150 465 P CA 1.737 64.746 63.100 -0.152 0.000 0.841 465 P CB -0.161 31.449 31.700 -0.150 0.000 0.784 466 E N -1.191 118.941 120.200 -0.113 0.000 2.427 466 E HA -0.092 4.257 4.350 -0.002 0.000 0.196 466 E C 0.413 176.967 176.600 -0.076 0.000 1.028 466 E CA 0.928 57.271 56.400 -0.095 0.000 0.864 466 E CB -0.486 29.177 29.700 -0.062 0.000 0.813 466 E HN 0.346 nan 8.360 nan 0.000 0.514 467 D N 0.747 121.102 120.400 -0.075 0.000 2.500 467 D HA 0.170 4.808 4.640 -0.002 0.000 0.217 467 D C 0.574 176.839 176.300 -0.059 0.000 1.159 467 D CA -0.304 53.664 54.000 -0.053 0.000 0.828 467 D CB 0.820 41.597 40.800 -0.039 0.000 1.039 467 D HN 0.097 nan 8.370 nan 0.000 0.512 468 I N 2.029 122.543 120.570 -0.093 0.000 2.741 468 I HA -0.023 4.146 4.170 -0.002 0.000 0.288 468 I C 0.524 176.596 176.117 -0.076 0.000 1.192 468 I CA 0.450 61.685 61.300 -0.107 0.000 1.426 468 I CB -0.001 37.895 38.000 -0.174 0.000 1.367 468 I HN -0.180 nan 8.210 nan 0.000 0.563 469 D N 6.042 126.417 120.400 -0.041 0.000 2.168 469 D HA 0.345 4.984 4.640 -0.002 0.000 0.246 469 D C 0.518 176.825 176.300 0.011 0.000 1.050 469 D CA -0.428 53.569 54.000 -0.004 0.000 0.857 469 D CB 1.481 42.294 40.800 0.022 0.000 1.169 469 D HN 0.384 nan 8.370 nan 0.000 0.453 470 L N 1.937 123.188 121.223 0.046 0.000 2.592 470 L HA 0.161 4.500 4.340 -0.002 0.000 0.227 470 L C 0.804 177.790 176.870 0.194 0.000 1.127 470 L CA 0.114 55.024 54.840 0.115 0.000 0.884 470 L CB 0.101 42.238 42.059 0.130 0.000 1.065 470 L HN 0.331 nan 8.230 nan 0.000 0.457 471 T N 2.668 117.301 114.554 0.133 0.000 2.751 471 T HA 0.146 4.495 4.350 -0.002 0.000 0.290 471 T C -2.189 172.588 174.700 0.129 0.000 0.919 471 T CA -0.849 61.324 62.100 0.123 0.000 1.136 471 T CB 0.472 69.392 68.868 0.087 0.000 0.875 471 T HN -0.070 nan 8.240 nan 0.000 0.532 472 P HA 0.113 nan 4.420 nan 0.000 0.264 472 P C 0.665 178.023 177.300 0.098 0.000 1.193 472 P CA -0.212 62.961 63.100 0.122 0.000 0.763 472 P CB 0.535 32.287 31.700 0.087 0.000 0.810 473 R N 2.277 122.840 120.500 0.105 0.000 2.189 473 R HA -0.062 4.277 4.340 -0.002 0.000 0.223 473 R C 0.004 176.336 176.300 0.053 0.000 1.092 473 R CA 1.309 57.458 56.100 0.082 0.000 0.989 473 R CB 0.242 30.601 30.300 0.098 0.000 0.876 473 R HN 0.508 nan 8.270 nan 0.000 0.457 474 E N -0.687 119.537 120.200 0.040 0.000 2.307 474 E HA 0.129 4.478 4.350 -0.002 0.000 0.280 474 E C -1.903 174.701 176.600 0.008 0.000 0.900 474 E CA -0.254 56.154 56.400 0.013 0.000 0.790 474 E CB 2.178 31.856 29.700 -0.038 0.000 1.261 474 E HN -0.041 nan 8.360 nan 0.000 0.405 475 S N 2.546 118.269 115.700 0.039 0.000 2.457 475 S HA 0.600 5.069 4.470 -0.002 0.000 0.216 475 S C -0.090 174.555 174.600 0.075 0.000 1.392 475 S CA -0.078 58.148 58.200 0.045 0.000 1.102 475 S CB 0.119 63.363 63.200 0.073 0.000 1.114 475 S HN 0.620 nan 8.310 nan 0.000 0.484 476 G N 1.760 110.568 108.800 0.013 0.000 3.247 476 G HA2 0.341 4.300 3.960 -0.002 0.000 0.163 476 G HA3 0.341 4.300 3.960 -0.002 0.000 0.163 476 G C 0.935 175.787 174.900 -0.080 0.000 1.206 476 G CA -0.179 44.958 45.100 0.062 0.000 0.918 476 G HN 0.376 nan 8.290 nan 0.000 0.625 477 V N 0.647 120.503 119.914 -0.098 0.000 2.453 477 V HA 0.106 4.225 4.120 -0.002 0.000 0.252 477 V C 1.551 177.412 176.094 -0.388 0.000 1.068 477 V CA 2.140 64.222 62.300 -0.362 0.000 1.070 477 V CB -0.438 31.346 31.823 -0.066 0.000 0.664 477 V HN 0.754 nan 8.190 nan 0.000 0.461 478 G N -1.279 107.402 108.800 -0.198 0.000 2.569 478 G HA2 0.439 4.398 3.960 -0.002 0.000 0.300 478 G HA3 0.439 4.398 3.960 -0.002 0.000 0.300 478 G C -1.119 173.713 174.900 -0.113 0.000 1.269 478 G CA -0.657 44.385 45.100 -0.097 0.000 0.959 478 G HN 0.135 nan 8.290 nan 0.000 0.478 479 N N -0.181 118.489 118.700 -0.049 0.000 2.426 479 N HA 0.433 5.172 4.740 -0.002 0.000 0.275 479 N C -0.641 174.891 175.510 0.037 0.000 1.019 479 N CA -0.204 52.828 53.050 -0.030 0.000 0.941 479 N CB 2.127 40.583 38.487 -0.053 0.000 1.123 479 N HN 0.153 nan 8.380 nan 0.000 0.486 480 V N 4.804 124.738 119.914 0.033 0.000 2.370 480 V HA 0.393 4.511 4.120 -0.002 0.000 0.283 480 V C -1.945 174.244 176.094 0.159 0.000 1.023 480 V CA -1.660 60.714 62.300 0.124 0.000 0.857 480 V CB 1.775 33.644 31.823 0.076 0.000 0.985 480 V HN 0.537 nan 8.190 nan 0.000 0.443 481 P HA 0.300 nan 4.420 nan 0.000 0.274 481 P C -2.686 174.768 177.300 0.257 0.000 1.237 481 P CA -1.771 61.501 63.100 0.287 0.000 0.793 481 P CB 0.246 32.210 31.700 0.439 0.000 0.977 482 P HA 0.001 nan 4.420 nan 0.000 0.270 482 P C 0.141 177.574 177.300 0.222 0.000 1.223 482 P CA 0.151 63.367 63.100 0.194 0.000 0.785 482 P CB 0.277 32.078 31.700 0.167 0.000 0.923 483 S N 1.542 117.327 115.700 0.142 0.000 2.601 483 S HA 0.580 5.049 4.470 -0.002 0.000 0.271 483 S C -0.666 173.987 174.600 0.088 0.000 1.305 483 S CA -0.252 57.977 58.200 0.048 0.000 1.022 483 S CB -0.027 63.165 63.200 -0.013 0.000 0.940 483 S HN 0.549 nan 8.310 nan 0.000 0.525 484 Y N -1.047 119.234 120.300 -0.031 0.000 2.609 484 Y HA 0.610 5.159 4.550 -0.002 0.000 0.336 484 Y C -0.884 174.968 175.900 -0.080 0.000 1.129 484 Y CA -1.368 56.705 58.100 -0.045 0.000 1.040 484 Y CB 0.770 39.208 38.460 -0.037 0.000 1.310 484 Y HN 0.501 nan 8.280 nan 0.000 0.460 485 Q N 2.832 122.679 119.800 0.078 0.000 2.227 485 Q HA 0.645 4.984 4.340 -0.002 0.000 0.245 485 Q C -1.147 174.882 176.000 0.049 0.000 0.926 485 Q CA -0.689 55.101 55.803 -0.022 0.000 0.895 485 Q CB 2.787 31.510 28.738 -0.025 0.000 1.230 485 Q HN 0.911 nan 8.270 nan 0.000 0.450 486 I N 0.715 121.242 120.570 -0.071 0.000 2.753 486 I HA 0.319 4.488 4.170 -0.002 0.000 0.291 486 I C -1.559 174.376 176.117 -0.303 0.000 1.425 486 I CA -0.563 60.645 61.300 -0.152 0.000 1.039 486 I CB 1.737 39.658 38.000 -0.132 0.000 1.349 486 I HN 0.671 nan 8.210 nan 0.000 0.430 487 R N 5.175 125.455 120.500 -0.367 0.000 2.711 487 R HA 0.656 4.995 4.340 -0.002 0.000 0.284 487 R C -2.083 173.904 176.300 -0.521 0.000 0.968 487 R CA -0.586 55.333 56.100 -0.302 0.000 0.924 487 R CB 1.523 31.743 30.300 -0.135 0.000 1.162 487 R HN 0.402 nan 8.270 nan 0.000 0.465 488 F N 2.932 122.804 119.950 -0.129 0.000 2.347 488 F HA 0.380 4.907 4.527 -0.001 0.000 0.366 488 F C -0.531 175.306 175.800 0.061 0.000 1.107 488 F CA -0.800 57.117 58.000 -0.137 0.000 1.058 488 F CB 1.475 40.147 39.000 -0.547 0.000 1.236 488 F HN 0.215 nan 8.300 nan 0.000 0.456 489 L N 3.966 125.358 121.223 0.282 0.000 2.264 489 L HA 0.621 4.960 4.340 -0.002 0.000 0.289 489 L C 0.567 177.655 176.870 0.363 0.000 1.044 489 L CA -0.868 54.139 54.840 0.278 0.000 0.807 489 L CB 1.061 43.197 42.059 0.128 0.000 1.192 489 L HN 0.658 nan 8.230 nan 0.000 0.425 490 A N 4.816 127.821 122.820 0.309 0.000 2.540 490 A HA 0.258 4.577 4.320 -0.002 0.000 0.239 490 A C 0.272 177.830 177.584 -0.043 0.000 1.061 490 A CA 0.098 52.142 52.037 0.012 0.000 0.758 490 A CB 0.050 19.061 19.000 0.018 0.000 0.991 490 A HN 0.780 nan 8.150 nan 0.000 0.502 491 R N 0.395 120.801 120.500 -0.157 0.000 2.540 491 R HA 0.703 5.042 4.340 -0.002 0.000 0.287 491 R C 0.331 176.573 176.300 -0.097 0.000 0.980 491 R CA 0.358 56.399 56.100 -0.099 0.000 0.966 491 R CB 1.221 31.451 30.300 -0.116 0.000 1.106 491 R HN 1.028 nan 8.270 nan 0.000 0.480 492 H N 0.000 119.035 119.070 -0.058 0.000 2.539 492 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 492 H CA 0.000 56.020 56.048 -0.047 0.000 1.023 492 H CB 0.000 29.747 29.762 -0.025 0.000 1.292 492 H HN 0.000 nan 8.280 nan 0.000 0.496