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 3oet_1_E DATA FIRST_RESID 2 DATA SEQUENCE KILVDENXPY ARELFSRLGE VKAVPGRPIP VEELNHADAL XVRSVTKVNE DATA SEQUENCE SLLSGTPINF VGTATAGTDH VDEAWLKQAG IGFSAAPGCN AIAVVEYVFS DATA SEQUENCE ALLXLAERDG FSLRDRTIGI VGVGNVGSRL QTRLEALGIR TLLCDPPRAA DATA SEQUENCE RGDEGDFRTL DELVQEADVL TFHTPLYKDG PYKTLHLADE TLIRRLKPGA DATA SEQUENCE ILINACRGPV VDNAALLARL NAGQPLSVVL DVWEGEPDLN VALLEAVDIG DATA SEQUENCE TSHIAGYTLE GKARGTTQVF EAYSAFIGRE QRVALETLLP APEFGRITLH DATA SEQUENCE GPLDQPTLKR LAHLVYDVRR DDAPLRKVAG IPGEFDKLRK NYLERREWSS DATA SEQUENCE LYVXCDDETA AALLCKLGFN AVHH 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.638 176.600 0.064 0.000 0.988 2 K CA 0.000 56.340 56.287 0.088 0.000 0.838 2 K CB 0.000 32.549 32.500 0.082 0.000 1.064 3 I N 3.937 124.529 120.570 0.036 0.000 2.389 3 I HA 0.352 4.523 4.170 0.001 0.000 0.288 3 I C -0.395 175.670 176.117 -0.086 0.000 0.999 3 I CA -0.845 60.419 61.300 -0.060 0.000 1.129 3 I CB 1.231 39.193 38.000 -0.063 0.000 1.288 3 I HN 0.323 nan 8.210 nan 0.000 0.444 4 L N 7.057 128.210 121.223 -0.117 0.000 2.292 4 L HA 0.635 4.976 4.340 0.001 0.000 0.284 4 L C -0.231 176.531 176.870 -0.180 0.000 1.065 4 L CA -0.835 53.943 54.840 -0.105 0.000 0.806 4 L CB 1.509 43.527 42.059 -0.069 0.000 1.175 4 L HN 0.429 nan 8.230 nan 0.000 0.431 5 V N -0.911 118.915 119.914 -0.148 0.000 2.789 5 V HA 0.371 4.492 4.120 0.001 0.000 0.311 5 V C -0.308 175.730 176.094 -0.092 0.000 1.073 5 V CA -1.031 61.165 62.300 -0.173 0.000 0.921 5 V CB 2.007 33.706 31.823 -0.207 0.000 1.009 5 V HN 0.713 nan 8.190 nan 0.000 0.426 6 D N 3.628 123.980 120.400 -0.081 0.000 2.502 6 D HA -0.063 4.578 4.640 0.001 0.000 0.249 6 D C 1.438 177.711 176.300 -0.045 0.000 1.188 6 D CA 0.967 54.934 54.000 -0.054 0.000 0.890 6 D CB 1.179 41.950 40.800 -0.049 0.000 1.140 6 D HN 0.967 nan 8.370 nan 0.000 0.505 7 E N 3.095 123.272 120.200 -0.038 0.000 2.273 7 E HA -0.210 4.141 4.350 0.001 0.000 0.198 7 E C 0.164 176.738 176.600 -0.044 0.000 1.002 7 E CA 0.622 57.002 56.400 -0.033 0.000 0.828 7 E CB 0.078 29.762 29.700 -0.027 0.000 0.747 7 E HN 0.363 nan 8.360 nan 0.000 0.491 11 Y N -0.270 120.025 120.300 -0.007 0.000 4.916 11 Y HA -0.287 4.263 4.550 0.001 0.000 0.247 11 Y C 1.836 177.746 175.900 0.017 0.000 0.962 11 Y CA 1.146 59.233 58.100 -0.022 0.000 1.933 11 Y CB -2.355 36.065 38.460 -0.068 0.000 1.451 11 Y HN 0.546 nan 8.280 nan 0.000 0.539 12 A N 0.198 123.119 122.820 0.170 0.000 1.902 12 A HA -0.229 4.091 4.320 0.001 0.000 0.217 12 A C 2.265 180.046 177.584 0.329 0.000 1.181 12 A CA 2.050 54.283 52.037 0.327 0.000 0.623 12 A CB -0.599 18.550 19.000 0.248 0.000 0.818 12 A HN 0.582 nan 8.150 nan 0.000 0.443 13 R N -0.597 120.002 120.500 0.165 0.000 2.073 13 R HA -0.154 4.187 4.340 0.001 0.000 0.234 13 R C 2.205 178.587 176.300 0.137 0.000 1.134 13 R CA 1.750 57.929 56.100 0.133 0.000 0.952 13 R CB -0.236 30.103 30.300 0.064 0.000 0.850 13 R HN 0.533 nan 8.270 nan 0.000 0.433 14 E N 0.477 120.737 120.200 0.101 0.000 2.216 14 E HA -0.099 4.251 4.350 0.001 0.000 0.192 14 E C 2.042 178.644 176.600 0.003 0.000 0.988 14 E CA 0.584 57.021 56.400 0.061 0.000 0.834 14 E CB 0.102 29.834 29.700 0.053 0.000 0.772 14 E HN 0.417 nan 8.360 nan 0.000 0.479 15 L N -0.364 120.820 121.223 -0.065 0.000 2.005 15 L HA -0.134 4.206 4.340 0.001 0.000 0.207 15 L C 2.405 179.192 176.870 -0.139 0.000 1.072 15 L CA 1.133 55.743 54.840 -0.383 0.000 0.744 15 L CB -0.486 41.124 42.059 -0.749 0.000 0.895 15 L HN 0.105 nan 8.230 nan 0.000 0.433 16 F N 0.182 120.228 119.950 0.159 0.000 2.293 16 F HA -0.173 4.354 4.527 0.001 0.000 0.300 16 F C 2.858 178.784 175.800 0.211 0.000 1.086 16 F CA 1.221 59.396 58.000 0.291 0.000 1.375 16 F CB -0.565 38.554 39.000 0.199 0.000 1.045 16 F HN 0.157 nan 8.300 nan 0.000 0.516 17 S N 0.183 116.048 115.700 0.276 0.000 2.507 17 S HA -0.135 4.336 4.470 0.001 0.000 0.235 17 S C 1.798 176.493 174.600 0.158 0.000 0.988 17 S CA 0.445 58.757 58.200 0.186 0.000 0.944 17 S CB -0.562 62.713 63.200 0.125 0.000 0.762 17 S HN 0.407 nan 8.310 nan 0.000 0.526 18 R N 0.391 120.995 120.500 0.174 0.000 2.316 18 R HA 0.118 4.459 4.340 0.001 0.000 0.202 18 R C 1.039 177.438 176.300 0.165 0.000 1.029 18 R CA 1.068 57.262 56.100 0.156 0.000 1.018 18 R CB -0.319 30.089 30.300 0.181 0.000 0.888 18 R HN 0.615 nan 8.270 nan 0.000 0.471 19 L N -5.896 115.448 121.223 0.202 0.000 3.174 19 L HA 0.523 4.863 4.340 0.001 0.000 0.283 19 L C 0.424 177.390 176.870 0.161 0.000 1.187 19 L CA -0.053 54.873 54.840 0.143 0.000 1.018 19 L CB 0.886 42.990 42.059 0.074 0.000 1.433 19 L HN -0.047 nan 8.230 nan 0.000 0.593 20 G N -0.546 108.373 108.800 0.197 0.000 2.554 20 G HA2 0.429 4.390 3.960 0.001 0.000 0.306 20 G HA3 0.429 4.390 3.960 0.001 0.000 0.306 20 G C -1.776 173.212 174.900 0.147 0.000 1.320 20 G CA -0.553 44.648 45.100 0.168 0.000 0.800 20 G HN -0.006 nan 8.290 nan 0.000 0.481 21 E N -0.414 119.857 120.200 0.117 0.000 2.290 21 E HA 0.485 4.836 4.350 0.001 0.000 0.277 21 E C -0.470 176.187 176.600 0.094 0.000 1.035 21 E CA -0.090 56.365 56.400 0.093 0.000 0.873 21 E CB 1.267 31.009 29.700 0.070 0.000 1.029 21 E HN 0.335 nan 8.360 nan 0.000 0.419 22 V N 4.921 124.887 119.914 0.088 0.000 2.495 22 V HA 0.412 4.533 4.120 0.001 0.000 0.298 22 V C -0.531 175.590 176.094 0.044 0.000 1.031 22 V CA -0.865 61.480 62.300 0.074 0.000 0.871 22 V CB 1.730 33.622 31.823 0.115 0.000 0.988 22 V HN 0.605 nan 8.190 nan 0.000 0.432 23 K N 3.914 124.326 120.400 0.020 0.000 2.450 23 K HA 0.749 5.069 4.320 0.001 0.000 0.257 23 K C -0.343 176.253 176.600 -0.006 0.000 0.953 23 K CA -0.179 56.114 56.287 0.011 0.000 0.844 23 K CB 1.511 34.019 32.500 0.014 0.000 1.103 23 K HN 0.823 nan 8.250 nan 0.000 0.429 24 A N 3.292 126.111 122.820 -0.002 0.000 2.409 24 A HA 0.533 4.853 4.320 0.001 0.000 0.262 24 A C -0.748 176.827 177.584 -0.015 0.000 1.113 24 A CA -0.395 51.634 52.037 -0.013 0.000 0.790 24 A CB 0.636 19.633 19.000 -0.006 0.000 1.046 24 A HN 0.571 nan 8.150 nan 0.000 0.496 25 V N 4.359 124.259 119.914 -0.024 0.000 3.049 25 V HA 0.582 4.703 4.120 0.001 0.000 0.309 25 V C -2.615 173.465 176.094 -0.024 0.000 1.148 25 V CA -2.122 60.166 62.300 -0.021 0.000 0.990 25 V CB 2.685 34.496 31.823 -0.021 0.000 1.039 25 V HN 0.775 nan 8.190 nan 0.000 0.430 26 P HA 0.213 nan 4.420 nan 0.000 0.269 26 P C 0.604 177.889 177.300 -0.024 0.000 1.209 26 P CA 0.285 63.373 63.100 -0.020 0.000 0.776 26 P CB 0.817 32.507 31.700 -0.016 0.000 0.876 27 G N 1.984 110.768 108.800 -0.026 0.000 2.650 27 G HA2 -0.089 3.872 3.960 0.001 0.000 0.214 27 G HA3 -0.089 3.872 3.960 0.001 0.000 0.214 27 G C 0.435 175.321 174.900 -0.023 0.000 1.136 27 G CA 0.260 45.343 45.100 -0.028 0.000 0.789 27 G HN 0.542 nan 8.290 nan 0.000 0.536 28 R N 0.237 120.724 120.500 -0.021 0.000 3.321 28 R HA 0.209 4.549 4.340 0.001 0.000 0.285 28 R C -2.983 173.308 176.300 -0.016 0.000 1.149 28 R CA -0.929 55.159 56.100 -0.019 0.000 1.191 28 R CB 1.391 31.680 30.300 -0.018 0.000 1.276 28 R HN 0.061 nan 8.270 nan 0.000 0.429 29 P HA 0.327 nan 4.420 nan 0.000 0.288 29 P C -0.189 177.099 177.300 -0.019 0.000 1.267 29 P CA -0.461 62.627 63.100 -0.019 0.000 0.815 29 P CB 1.014 32.703 31.700 -0.019 0.000 0.989 30 I N 4.739 125.296 120.570 -0.022 0.000 2.533 30 I HA 0.098 4.268 4.170 0.001 0.000 0.284 30 I C -1.665 174.440 176.117 -0.020 0.000 1.109 30 I CA -1.817 59.470 61.300 -0.021 0.000 1.412 30 I CB 0.411 38.396 38.000 -0.025 0.000 1.396 30 I HN 0.215 nan 8.210 nan 0.000 0.543 31 P HA 0.019 nan 4.420 nan 0.000 0.267 31 P C 0.994 178.284 177.300 -0.015 0.000 1.205 31 P CA -0.091 63.003 63.100 -0.010 0.000 0.765 31 P CB 1.033 32.733 31.700 -0.000 0.000 0.828 32 V N 3.214 123.115 119.914 -0.022 0.000 2.231 32 V HA -0.282 3.839 4.120 0.001 0.000 0.248 32 V C 2.535 178.602 176.094 -0.044 0.000 1.054 32 V CA 2.499 64.778 62.300 -0.035 0.000 1.015 32 V CB -1.167 30.636 31.823 -0.034 0.000 0.638 32 V HN 0.595 nan 8.190 nan 0.000 0.444 33 E N 0.134 120.323 120.200 -0.019 0.000 2.147 33 E HA -0.299 4.051 4.350 0.001 0.000 0.199 33 E C 2.019 178.639 176.600 0.033 0.000 1.005 33 E CA 2.004 58.408 56.400 0.007 0.000 0.810 33 E CB -0.234 29.506 29.700 0.068 0.000 0.736 33 E HN 0.615 nan 8.360 nan 0.000 0.460 34 E N -0.366 119.854 120.200 0.033 0.000 2.072 34 E HA -0.059 4.291 4.350 0.001 0.000 0.190 34 E C 1.998 178.606 176.600 0.013 0.000 0.982 34 E CA 0.973 57.404 56.400 0.051 0.000 0.803 34 E CB -0.203 29.515 29.700 0.030 0.000 0.755 34 E HN 0.343 nan 8.360 nan 0.000 0.453 35 L N 0.663 121.869 121.223 -0.029 0.000 2.046 35 L HA -0.177 4.164 4.340 0.001 0.000 0.208 35 L C 1.651 178.477 176.870 -0.074 0.000 1.077 35 L CA 0.988 55.805 54.840 -0.039 0.000 0.747 35 L CB -0.417 41.617 42.059 -0.043 0.000 0.896 35 L HN 0.141 nan 8.230 nan 0.000 0.432 36 N N -1.035 117.558 118.700 -0.179 0.000 2.609 36 N HA -0.109 4.632 4.740 0.001 0.000 0.190 36 N C 0.776 176.016 175.510 -0.451 0.000 1.157 36 N CA 0.830 53.688 53.050 -0.320 0.000 0.918 36 N CB -0.093 38.134 38.487 -0.434 0.000 0.978 36 N HN 0.402 nan 8.380 nan 0.000 0.448 37 H N -1.589 117.493 119.070 0.021 0.000 2.649 37 H HA 0.484 5.040 4.556 0.001 0.000 0.258 37 H C -0.138 175.206 175.328 0.027 0.000 1.165 37 H CA -0.418 55.645 56.048 0.024 0.000 1.006 37 H CB 0.337 30.111 29.762 0.020 0.000 1.743 37 H HN 0.012 nan 8.280 nan 0.000 0.609 38 A N 0.108 122.982 122.820 0.089 0.000 2.356 38 A HA 0.414 4.734 4.320 0.001 0.000 0.323 38 A C 0.361 177.988 177.584 0.071 0.000 1.119 38 A CA -0.531 51.546 52.037 0.067 0.000 0.790 38 A CB 1.647 20.665 19.000 0.030 0.000 1.273 38 A HN 0.081 nan 8.150 nan 0.000 0.452 39 D N -0.197 120.250 120.400 0.079 0.000 2.380 39 D HA 0.381 5.021 4.640 0.001 0.000 0.212 39 D C 0.460 176.826 176.300 0.110 0.000 1.021 39 D CA 1.404 55.472 54.000 0.114 0.000 0.884 39 D CB 0.896 41.789 40.800 0.155 0.000 1.001 39 D HN 0.722 nan 8.370 nan 0.000 0.506 40 A N 0.371 123.210 122.820 0.031 0.000 2.606 40 A HA 0.613 4.934 4.320 0.001 0.000 0.293 40 A C -1.716 175.797 177.584 -0.120 0.000 1.082 40 A CA -0.486 51.522 52.037 -0.047 0.000 0.685 40 A CB 1.876 20.707 19.000 -0.282 0.000 1.284 40 A HN 0.056 nan 8.150 nan 0.000 0.408 44 R N 0.951 121.439 120.500 -0.022 0.000 2.602 44 R HA 0.662 5.003 4.340 0.001 0.000 0.237 44 R C 1.627 177.784 176.300 -0.237 0.000 1.219 44 R CA -0.070 55.982 56.100 -0.081 0.000 1.121 44 R CB 0.746 30.990 30.300 -0.094 0.000 1.408 44 R HN 1.082 nan 8.270 nan 0.000 0.559 45 S N -0.413 115.036 115.700 -0.419 0.000 2.555 45 S HA -0.095 4.375 4.470 0.001 0.000 0.230 45 S C 1.766 176.106 174.600 -0.433 0.000 0.978 45 S CA 0.808 58.498 58.200 -0.850 0.000 0.934 45 S CB -0.523 62.365 63.200 -0.520 0.000 0.766 45 S HN 0.487 nan 8.310 nan 0.000 0.533 46 V N -1.354 118.435 119.914 -0.209 0.000 2.970 46 V HA 0.126 4.246 4.120 0.001 0.000 0.260 46 V C 0.739 176.803 176.094 -0.050 0.000 1.100 46 V CA 0.776 63.018 62.300 -0.097 0.000 1.122 46 V CB -1.526 30.261 31.823 -0.060 0.000 0.721 46 V HN 0.427 nan 8.190 nan 0.000 0.483 47 T N 2.807 117.344 114.554 -0.029 0.000 2.743 47 T HA 0.339 4.689 4.350 0.001 0.000 0.292 47 T C -0.085 174.675 174.700 0.101 0.000 0.972 47 T CA -0.490 61.628 62.100 0.029 0.000 0.967 47 T CB 0.956 69.844 68.868 0.034 0.000 0.926 47 T HN 0.245 nan 8.240 nan 0.000 0.459 48 K N 3.076 123.506 120.400 0.051 0.000 2.412 48 K HA 0.231 4.551 4.320 0.001 0.000 0.284 48 K C -0.352 176.247 176.600 -0.002 0.000 1.046 48 K CA -0.189 56.123 56.287 0.041 0.000 0.999 48 K CB 0.829 33.325 32.500 -0.007 0.000 0.941 48 K HN 0.326 nan 8.250 nan 0.000 0.474 49 V N 5.146 125.049 119.914 -0.019 0.000 2.328 49 V HA 0.215 4.335 4.120 0.001 0.000 0.278 49 V C -0.062 175.954 176.094 -0.128 0.000 1.021 49 V CA -0.713 61.548 62.300 -0.065 0.000 0.838 49 V CB 0.528 32.322 31.823 -0.048 0.000 0.999 49 V HN 0.942 nan 8.190 nan 0.000 0.447 50 N N 2.212 120.788 118.700 -0.206 0.000 3.364 50 N HA 0.213 4.954 4.740 0.001 0.000 0.294 50 N C 0.595 175.651 175.510 -0.757 0.000 1.562 50 N CA -0.678 52.148 53.050 -0.372 0.000 0.862 50 N CB 1.013 39.327 38.487 -0.288 0.000 1.691 50 N HN 0.267 nan 8.380 nan 0.000 0.572 51 E N -0.140 119.363 120.200 -1.163 0.000 2.072 51 E HA -0.115 4.235 4.350 0.001 0.000 0.191 51 E C 0.797 177.002 176.600 -0.658 0.000 0.985 51 E CA 1.745 57.253 56.400 -1.487 0.000 0.801 51 E CB -0.140 28.777 29.700 -1.306 0.000 0.750 51 E HN 0.560 nan 8.360 nan 0.000 0.452 52 S N 0.730 116.175 115.700 -0.425 0.000 2.400 52 S HA -0.185 4.285 4.470 0.001 0.000 0.232 52 S C 1.822 176.305 174.600 -0.196 0.000 1.025 52 S CA 0.990 59.045 58.200 -0.242 0.000 0.993 52 S CB -0.191 62.900 63.200 -0.182 0.000 0.808 52 S HN 0.259 nan 8.310 nan 0.000 0.478 53 L N 0.271 121.362 121.223 -0.221 0.000 2.249 53 L HA 0.313 4.653 4.340 0.001 0.000 0.207 53 L C 1.647 178.445 176.870 -0.119 0.000 1.090 53 L CA 1.349 56.103 54.840 -0.143 0.000 0.802 53 L CB -0.054 41.932 42.059 -0.120 0.000 0.947 53 L HN 0.239 nan 8.230 nan 0.000 0.453 54 L N -1.445 119.675 121.223 -0.171 0.000 2.642 54 L HA 0.229 4.570 4.340 0.001 0.000 0.233 54 L C 0.950 177.864 176.870 0.072 0.000 1.077 54 L CA 0.192 55.016 54.840 -0.025 0.000 0.879 54 L CB 0.034 42.148 42.059 0.092 0.000 1.151 54 L HN 0.233 nan 8.230 nan 0.000 0.495 55 S N 0.554 116.251 115.700 -0.005 0.000 2.544 55 S HA 0.264 4.735 4.470 0.001 0.000 0.290 55 S C 1.245 175.890 174.600 0.075 0.000 1.276 55 S CA 0.357 58.631 58.200 0.124 0.000 1.075 55 S CB 0.823 64.053 63.200 0.049 0.000 0.849 55 S HN 0.554 nan 8.310 nan 0.000 0.494 56 G N 2.311 111.171 108.800 0.100 0.000 2.159 56 G HA2 -0.240 3.720 3.960 0.001 0.000 0.256 56 G HA3 -0.240 3.720 3.960 0.001 0.000 0.256 56 G C 0.241 175.158 174.900 0.029 0.000 0.977 56 G CA 0.458 45.589 45.100 0.052 0.000 0.652 56 G HN 1.739 nan 8.290 nan 0.000 0.531 57 T N -2.233 112.347 114.554 0.043 0.000 2.944 57 T HA 0.712 5.062 4.350 0.001 0.000 0.284 57 T C -1.291 173.437 174.700 0.046 0.000 1.010 57 T CA -1.061 61.050 62.100 0.018 0.000 1.025 57 T CB 2.511 71.386 68.868 0.011 0.000 1.079 57 T HN -0.057 nan 8.240 nan 0.000 0.516 58 P HA 0.318 nan 4.420 nan 0.000 0.255 58 P C 0.083 177.432 177.300 0.082 0.000 1.301 58 P CA -0.311 62.828 63.100 0.064 0.000 0.817 58 P CB -0.378 31.363 31.700 0.068 0.000 1.259 59 I N 1.140 121.756 120.570 0.076 0.000 2.668 59 I HA -0.080 4.091 4.170 0.001 0.000 0.285 59 I C 1.606 177.788 176.117 0.108 0.000 1.168 59 I CA 0.400 61.751 61.300 0.085 0.000 1.424 59 I CB 0.249 38.287 38.000 0.063 0.000 1.377 59 I HN -0.122 nan 8.210 nan 0.000 0.560 60 N N 5.299 124.085 118.700 0.143 0.000 2.273 60 N HA 0.139 4.880 4.740 0.001 0.000 0.192 60 N C -0.739 174.879 175.510 0.180 0.000 1.132 60 N CA 0.150 53.316 53.050 0.194 0.000 0.887 60 N CB 0.537 39.193 38.487 0.282 0.000 1.048 60 N HN 0.453 nan 8.380 nan 0.000 0.490 61 F N -0.043 119.861 119.950 -0.078 0.000 2.650 61 F HA 0.527 5.055 4.527 0.001 0.000 0.310 61 F C -1.818 173.898 175.800 -0.141 0.000 1.112 61 F CA -0.788 57.073 58.000 -0.230 0.000 0.986 61 F CB 1.207 39.937 39.000 -0.450 0.000 1.285 61 F HN -0.325 nan 8.300 nan 0.000 0.440 62 V N 4.327 123.814 119.914 -0.710 0.000 2.577 62 V HA 0.793 4.913 4.120 0.001 0.000 0.303 62 V C -0.049 175.671 176.094 -0.623 0.000 1.042 62 V CA -0.476 61.603 62.300 -0.368 0.000 0.872 62 V CB 1.514 33.299 31.823 -0.064 0.000 0.998 62 V HN 1.052 nan 8.190 nan 0.000 0.423 63 G N 1.337 109.986 108.800 -0.251 0.000 2.416 63 G HA2 0.599 4.560 3.960 0.001 0.000 0.329 63 G HA3 0.599 4.560 3.960 0.001 0.000 0.329 63 G C -0.729 174.149 174.900 -0.037 0.000 1.173 63 G CA -0.502 44.523 45.100 -0.124 0.000 0.929 63 G HN 0.590 nan 8.290 nan 0.000 0.475 64 T N 0.188 114.711 114.554 -0.052 0.000 2.809 64 T HA 0.522 4.872 4.350 0.001 0.000 0.284 64 T C 0.454 175.201 174.700 0.079 0.000 0.992 64 T CA -0.034 62.123 62.100 0.094 0.000 0.957 64 T CB 0.952 69.982 68.868 0.271 0.000 0.942 64 T HN 0.874 nan 8.240 nan 0.000 0.439 65 A N 4.448 127.321 122.820 0.089 0.000 3.135 65 A HA 0.545 4.866 4.320 0.001 0.000 0.253 65 A C 0.670 178.286 177.584 0.054 0.000 1.638 65 A CA -0.233 51.850 52.037 0.077 0.000 1.295 65 A CB -1.050 17.996 19.000 0.076 0.000 1.106 65 A HN 0.937 nan 8.150 nan 0.000 0.648 66 T N -4.788 109.811 114.554 0.075 0.000 2.889 66 T HA 0.614 4.965 4.350 0.001 0.000 0.315 66 T C 0.665 175.419 174.700 0.089 0.000 1.291 66 T CA -0.011 62.138 62.100 0.081 0.000 1.028 66 T CB 1.467 70.411 68.868 0.127 0.000 1.235 66 T HN 0.561 nan 8.240 nan 0.000 0.491 67 A N 1.458 124.327 122.820 0.081 0.000 1.930 67 A HA 0.544 4.865 4.320 0.001 0.000 0.215 67 A C 1.440 179.085 177.584 0.101 0.000 1.176 67 A CA 0.867 52.950 52.037 0.076 0.000 0.632 67 A CB -1.032 18.006 19.000 0.063 0.000 0.819 67 A HN 1.320 nan 8.150 nan 0.000 0.445 68 G N -0.833 108.044 108.800 0.128 0.000 2.467 68 G HA2 0.396 4.357 3.960 0.001 0.000 0.257 68 G HA3 0.396 4.357 3.960 0.001 0.000 0.257 68 G C 0.508 175.535 174.900 0.212 0.000 1.227 68 G CA 0.572 45.763 45.100 0.151 0.000 0.835 68 G HN 0.553 nan 8.290 nan 0.000 0.556 69 T N -1.656 112.991 114.554 0.155 0.000 3.296 69 T HA 0.199 4.550 4.350 0.001 0.000 0.285 69 T C 0.381 175.068 174.700 -0.023 0.000 1.014 69 T CA -0.261 61.889 62.100 0.083 0.000 0.920 69 T CB 0.559 69.516 68.868 0.149 0.000 1.143 69 T HN 0.256 nan 8.240 nan 0.000 0.522 70 D N 1.981 122.447 120.400 0.109 0.000 2.277 70 D HA -0.052 4.588 4.640 0.001 0.000 0.208 70 D C 1.894 178.239 176.300 0.076 0.000 0.962 70 D CA 0.783 54.828 54.000 0.076 0.000 0.865 70 D CB -0.128 40.728 40.800 0.094 0.000 0.939 70 D HN 0.756 nan 8.370 nan 0.000 0.510 71 H N -0.605 118.475 119.070 0.016 0.000 2.556 71 H HA 0.119 4.675 4.556 0.001 0.000 0.268 71 H C -0.011 175.307 175.328 -0.018 0.000 0.996 71 H CA 0.143 56.191 56.048 -0.000 0.000 1.157 71 H CB -0.367 29.399 29.762 0.008 0.000 1.355 71 H HN -0.142 nan 8.280 nan 0.000 0.597 72 V N 2.085 121.776 119.914 -0.371 0.000 2.444 72 V HA 0.053 4.174 4.120 0.001 0.000 0.294 72 V C -0.105 175.828 176.094 -0.268 0.000 1.022 72 V CA -0.993 61.088 62.300 -0.366 0.000 0.850 72 V CB 2.065 33.584 31.823 -0.507 0.000 0.992 72 V HN 0.158 nan 8.190 nan 0.000 0.426 73 D N 3.633 123.915 120.400 -0.196 0.000 2.508 73 D HA 0.112 4.752 4.640 0.001 0.000 0.224 73 D C 1.188 177.393 176.300 -0.158 0.000 1.171 73 D CA 0.124 54.053 54.000 -0.118 0.000 1.006 73 D CB 0.651 41.424 40.800 -0.044 0.000 1.073 73 D HN 0.659 nan 8.370 nan 0.000 0.513 74 E N 1.521 121.556 120.200 -0.274 0.000 2.153 74 E HA -0.171 4.180 4.350 0.001 0.000 0.194 74 E C 1.756 178.251 176.600 -0.175 0.000 0.988 74 E CA 0.953 57.129 56.400 -0.374 0.000 0.811 74 E CB 0.199 29.682 29.700 -0.362 0.000 0.746 74 E HN 0.539 nan 8.360 nan 0.000 0.466 75 A N 0.594 123.370 122.820 -0.074 0.000 1.897 75 A HA -0.160 4.161 4.320 0.001 0.000 0.215 75 A C 1.825 179.404 177.584 -0.009 0.000 1.181 75 A CA 0.909 52.927 52.037 -0.032 0.000 0.620 75 A CB -0.826 18.173 19.000 -0.001 0.000 0.821 75 A HN 0.475 nan 8.150 nan 0.000 0.443 76 W N 0.912 122.146 121.300 -0.110 0.000 2.355 76 W HA -0.152 4.508 4.660 0.001 0.000 0.309 76 W C 1.770 178.229 176.519 -0.099 0.000 1.206 76 W CA 1.884 59.173 57.345 -0.093 0.000 1.284 76 W CB -0.272 29.134 29.460 -0.090 0.000 1.145 76 W HN 0.237 nan 8.180 nan 0.000 0.502 77 L N 0.751 121.983 121.223 0.014 0.000 2.051 77 L HA -0.313 4.027 4.340 0.001 0.000 0.214 77 L C 2.651 179.352 176.870 -0.281 0.000 1.076 77 L CA 1.936 56.676 54.840 -0.166 0.000 0.758 77 L CB -1.112 40.856 42.059 -0.151 0.000 0.890 77 L HN 0.046 nan 8.230 nan 0.000 0.433 78 K N 0.127 120.400 120.400 -0.212 0.000 2.062 78 K HA -0.224 4.096 4.320 0.001 0.000 0.205 78 K C 2.156 178.629 176.600 -0.211 0.000 1.051 78 K CA 1.382 57.576 56.287 -0.155 0.000 0.941 78 K CB -0.041 32.402 32.500 -0.095 0.000 0.719 78 K HN 0.311 nan 8.250 nan 0.000 0.440 79 Q N -0.036 119.591 119.800 -0.289 0.000 2.181 79 Q HA -0.135 4.206 4.340 0.001 0.000 0.205 79 Q C 1.522 177.272 176.000 -0.417 0.000 0.980 79 Q CA 1.539 57.152 55.803 -0.317 0.000 0.862 79 Q CB -0.055 28.500 28.738 -0.306 0.000 0.905 79 Q HN 0.352 nan 8.270 nan 0.000 0.429 80 A N -0.345 122.072 122.820 -0.671 0.000 2.123 80 A HA 0.260 4.581 4.320 0.001 0.000 0.214 80 A C 1.502 178.898 177.584 -0.314 0.000 1.152 80 A CA 0.879 52.535 52.037 -0.636 0.000 0.728 80 A CB -0.275 18.011 19.000 -1.190 0.000 0.814 80 A HN 0.650 nan 8.150 nan 0.000 0.464 81 G N -0.747 107.913 108.800 -0.234 0.000 2.149 81 G HA2 -0.206 3.754 3.960 0.001 0.000 0.235 81 G HA3 -0.206 3.754 3.960 0.001 0.000 0.235 81 G C -0.005 174.885 174.900 -0.015 0.000 1.018 81 G CA 0.229 45.278 45.100 -0.085 0.000 0.728 81 G HN 0.459 nan 8.290 nan 0.000 0.508 82 I N 1.654 122.184 120.570 -0.067 0.000 2.325 82 I HA 0.452 4.623 4.170 0.001 0.000 0.291 82 I C 1.441 177.567 176.117 0.015 0.000 1.019 82 I CA -0.165 61.133 61.300 -0.004 0.000 1.302 82 I CB 1.164 39.146 38.000 -0.030 0.000 1.401 82 I HN 0.169 nan 8.210 nan 0.000 0.485 83 G N 5.615 114.446 108.800 0.051 0.000 2.544 83 G HA2 0.277 4.238 3.960 0.001 0.000 0.242 83 G HA3 0.277 4.238 3.960 0.001 0.000 0.242 83 G C -1.143 173.558 174.900 -0.332 0.000 1.247 83 G CA 0.056 45.166 45.100 0.015 0.000 0.840 83 G HN 0.450 nan 8.290 nan 0.000 0.578 84 F N 0.602 120.298 119.950 -0.423 0.000 2.596 84 F HA 0.651 5.179 4.527 0.001 0.000 0.311 84 F C -0.438 175.185 175.800 -0.295 0.000 1.116 84 F CA -1.035 56.657 58.000 -0.514 0.000 0.957 84 F CB 2.440 41.289 39.000 -0.252 0.000 1.250 84 F HN 0.585 nan 8.300 nan 0.000 0.444 85 S N 3.775 118.657 115.700 -1.363 0.000 2.543 85 S HA 0.875 5.346 4.470 0.001 0.000 0.271 85 S C -0.935 173.080 174.600 -0.975 0.000 1.148 85 S CA -0.017 57.647 58.200 -0.894 0.000 0.914 85 S CB 1.110 64.227 63.200 -0.139 0.000 1.096 85 S HN 1.156 nan 8.310 nan 0.000 0.471 86 A N 2.700 125.131 122.820 -0.647 0.000 2.517 86 A HA 0.926 5.247 4.320 0.001 0.000 0.280 86 A C 0.196 177.726 177.584 -0.089 0.000 1.353 86 A CA -0.149 51.729 52.037 -0.265 0.000 0.907 86 A CB 0.326 19.273 19.000 -0.088 0.000 1.495 86 A HN 1.571 nan 8.150 nan 0.000 0.506 87 A N 0.961 123.777 122.820 -0.007 0.000 3.105 87 A HA 0.609 4.930 4.320 0.001 0.000 0.336 87 A C -2.736 174.867 177.584 0.032 0.000 1.042 87 A CA -1.409 50.644 52.037 0.026 0.000 0.851 87 A CB -0.156 18.873 19.000 0.048 0.000 1.068 87 A HN 0.485 nan 8.150 nan 0.000 0.477 88 P HA 0.237 nan 4.420 nan 0.000 0.268 88 P C 1.075 178.394 177.300 0.031 0.000 1.205 88 P CA 1.698 64.820 63.100 0.036 0.000 0.771 88 P CB 1.039 32.761 31.700 0.037 0.000 0.858 89 G N 2.008 110.825 108.800 0.028 0.000 2.184 89 G HA2 -0.414 3.547 3.960 0.001 0.000 0.264 89 G HA3 -0.414 3.547 3.960 0.001 0.000 0.264 89 G C 1.134 176.043 174.900 0.015 0.000 0.975 89 G CA 0.412 45.523 45.100 0.018 0.000 0.642 89 G HN 0.718 nan 8.290 nan 0.000 0.536 90 C N 0.278 119.591 119.300 0.022 0.000 2.413 90 C HA 0.051 4.511 4.460 0.001 0.000 0.277 90 C C 2.108 177.103 174.990 0.008 0.000 1.265 90 C CA 1.697 60.727 59.018 0.019 0.000 1.752 90 C CB -0.845 26.912 27.740 0.027 0.000 1.998 90 C HN 0.855 nan 8.230 nan 0.000 0.489 91 N N 1.228 119.934 118.700 0.011 0.000 2.234 91 N HA 0.341 5.082 4.740 0.001 0.000 0.227 91 N C 1.116 176.621 175.510 -0.009 0.000 1.151 91 N CA 0.590 53.642 53.050 0.004 0.000 0.865 91 N CB -0.459 38.043 38.487 0.025 0.000 1.066 91 N HN 0.558 nan 8.380 nan 0.000 0.515 92 A N 1.301 124.112 122.820 -0.014 0.000 1.877 92 A HA -0.011 4.310 4.320 0.001 0.000 0.216 92 A C 2.094 179.644 177.584 -0.057 0.000 1.186 92 A CA 1.042 53.060 52.037 -0.032 0.000 0.620 92 A CB -0.692 18.291 19.000 -0.028 0.000 0.822 92 A HN 0.300 nan 8.150 nan 0.000 0.443 93 I N -0.310 120.219 120.570 -0.069 0.000 2.226 93 I HA -0.284 3.887 4.170 0.001 0.000 0.245 93 I C 2.963 178.989 176.117 -0.151 0.000 1.100 93 I CA 0.963 62.193 61.300 -0.117 0.000 1.374 93 I CB -0.297 37.630 38.000 -0.120 0.000 1.057 93 I HN 0.376 nan 8.210 nan 0.000 0.413 94 A N 0.336 123.092 122.820 -0.106 0.000 1.908 94 A HA -0.167 4.154 4.320 0.001 0.000 0.218 94 A C 2.416 179.978 177.584 -0.035 0.000 1.181 94 A CA 1.858 53.838 52.037 -0.095 0.000 0.627 94 A CB -0.927 18.040 19.000 -0.055 0.000 0.818 94 A HN 0.252 nan 8.150 nan 0.000 0.445 95 V N -0.467 119.435 119.914 -0.020 0.000 2.307 95 V HA -0.217 3.903 4.120 0.001 0.000 0.245 95 V C 2.580 178.730 176.094 0.095 0.000 1.045 95 V CA 1.874 64.190 62.300 0.026 0.000 1.024 95 V CB -0.808 31.017 31.823 0.003 0.000 0.651 95 V HN 0.371 nan 8.190 nan 0.000 0.449 96 V N 0.127 120.045 119.914 0.008 0.000 2.282 96 V HA -0.321 3.800 4.120 0.001 0.000 0.249 96 V C 2.391 178.572 176.094 0.145 0.000 1.057 96 V CA 2.332 64.661 62.300 0.049 0.000 1.032 96 V CB -0.736 31.090 31.823 0.005 0.000 0.645 96 V HN 0.629 nan 8.190 nan 0.000 0.447 97 E N -1.272 118.878 120.200 -0.084 0.000 2.268 97 E HA -0.227 4.123 4.350 0.001 0.000 0.195 97 E C 1.988 178.764 176.600 0.292 0.000 0.995 97 E CA 1.310 57.587 56.400 -0.205 0.000 0.836 97 E CB -0.202 28.989 29.700 -0.848 0.000 0.763 97 E HN 0.831 nan 8.360 nan 0.000 0.491 98 Y N 0.717 121.135 120.300 0.196 0.000 2.220 98 Y HA -0.206 4.345 4.550 0.001 0.000 0.291 98 Y C 2.065 178.133 175.900 0.280 0.000 1.129 98 Y CA 0.988 59.293 58.100 0.343 0.000 1.161 98 Y CB -0.045 38.560 38.460 0.241 0.000 0.997 98 Y HN -0.192 nan 8.280 nan 0.000 0.522 99 V N 0.100 120.261 119.914 0.411 0.000 2.295 99 V HA -0.298 3.823 4.120 0.001 0.000 0.246 99 V C 2.093 178.259 176.094 0.121 0.000 1.049 99 V CA 2.161 64.595 62.300 0.224 0.000 1.024 99 V CB -0.929 30.985 31.823 0.151 0.000 0.648 99 V HN 0.387 nan 8.190 nan 0.000 0.447 100 F N 0.365 120.448 119.950 0.222 0.000 2.134 100 F HA -0.187 4.341 4.527 0.001 0.000 0.299 100 F C 2.866 178.845 175.800 0.299 0.000 1.097 100 F CA 1.870 60.047 58.000 0.296 0.000 1.264 100 F CB -0.791 38.511 39.000 0.503 0.000 1.001 100 F HN 0.088 nan 8.300 nan 0.000 0.479 101 S N -0.147 115.876 115.700 0.539 0.000 2.374 101 S HA -0.277 4.194 4.470 0.001 0.000 0.227 101 S C 2.271 177.024 174.600 0.256 0.000 1.037 101 S CA 1.447 59.909 58.200 0.436 0.000 1.024 101 S CB -0.579 62.777 63.200 0.259 0.000 0.861 101 S HN 0.334 nan 8.310 nan 0.000 0.456 102 A N 1.212 124.059 122.820 0.046 0.000 1.872 102 A HA 0.131 4.451 4.320 0.001 0.000 0.214 102 A C 2.258 179.888 177.584 0.078 0.000 1.187 102 A CA 1.291 53.315 52.037 -0.021 0.000 0.614 102 A CB -0.804 18.110 19.000 -0.142 0.000 0.826 102 A HN 0.563 nan 8.150 nan 0.000 0.442 103 L N -0.392 120.892 121.223 0.103 0.000 2.042 103 L HA -0.133 4.208 4.340 0.001 0.000 0.210 103 L C 1.166 178.110 176.870 0.123 0.000 1.076 103 L CA 0.465 55.383 54.840 0.130 0.000 0.749 103 L CB -0.765 41.347 42.059 0.089 0.000 0.893 103 L HN 0.322 nan 8.230 nan 0.000 0.432 107 A N 0.593 123.057 122.820 -0.593 0.000 1.898 107 A HA -0.200 4.121 4.320 0.001 0.000 0.216 107 A C 1.951 179.106 177.584 -0.715 0.000 1.181 107 A CA 2.136 53.411 52.037 -1.270 0.000 0.620 107 A CB -0.314 18.302 19.000 -0.639 0.000 0.819 107 A HN 0.512 nan 8.150 nan 0.000 0.442 108 E N -0.238 119.748 120.200 -0.357 0.000 2.028 108 E HA -0.232 4.118 4.350 0.001 0.000 0.191 108 E C 2.310 178.802 176.600 -0.180 0.000 0.988 108 E CA 1.081 57.351 56.400 -0.216 0.000 0.799 108 E CB -0.277 29.348 29.700 -0.126 0.000 0.755 108 E HN 0.541 nan 8.360 nan 0.000 0.447 109 R N 0.149 120.559 120.500 -0.150 0.000 2.091 109 R HA -0.156 4.184 4.340 0.001 0.000 0.238 109 R C 0.843 177.096 176.300 -0.079 0.000 1.136 109 R CA 2.014 58.064 56.100 -0.084 0.000 0.959 109 R CB -0.017 30.259 30.300 -0.041 0.000 0.856 109 R HN 0.221 nan 8.270 nan 0.000 0.437 110 D N -1.612 118.707 120.400 -0.135 0.000 2.369 110 D HA 0.131 4.771 4.640 0.001 0.000 0.211 110 D C 0.455 176.747 176.300 -0.012 0.000 1.077 110 D CA 0.869 54.863 54.000 -0.011 0.000 0.842 110 D CB 0.928 41.835 40.800 0.179 0.000 0.947 110 D HN 0.474 nan 8.370 nan 0.000 0.509 111 G N 1.721 110.427 108.800 -0.157 0.000 2.291 111 G HA2 -0.217 3.743 3.960 0.001 0.000 0.271 111 G HA3 -0.217 3.743 3.960 0.001 0.000 0.271 111 G C -0.102 174.799 174.900 0.002 0.000 1.099 111 G CA 0.226 45.278 45.100 -0.081 0.000 0.919 111 G HN 0.326 nan 8.290 nan 0.000 0.496 112 F N -0.790 119.163 119.950 0.004 0.000 2.593 112 F HA 0.899 5.427 4.527 0.001 0.000 0.320 112 F C 0.035 175.838 175.800 0.004 0.000 1.060 112 F CA -1.757 56.245 58.000 0.004 0.000 0.940 112 F CB 1.367 40.370 39.000 0.005 0.000 1.268 112 F HN 0.399 nan 8.300 nan 0.000 0.475 113 S N 2.275 118.141 115.700 0.277 0.000 2.525 113 S HA 0.391 4.862 4.470 0.001 0.000 0.278 113 S C 0.855 175.630 174.600 0.291 0.000 1.234 113 S CA -0.745 57.570 58.200 0.192 0.000 1.058 113 S CB 0.690 63.954 63.200 0.107 0.000 0.983 113 S HN 0.842 nan 8.310 nan 0.000 0.495 114 L N 3.858 125.221 121.223 0.233 0.000 2.127 114 L HA -0.090 4.251 4.340 0.001 0.000 0.211 114 L C 2.661 179.606 176.870 0.126 0.000 1.089 114 L CA 1.275 56.243 54.840 0.213 0.000 0.757 114 L CB -0.404 41.766 42.059 0.185 0.000 0.899 114 L HN 0.711 nan 8.230 nan 0.000 0.434 115 R N -0.237 120.322 120.500 0.099 0.000 2.328 115 R HA -0.100 4.241 4.340 0.001 0.000 0.207 115 R C 0.928 177.254 176.300 0.043 0.000 1.056 115 R CA 0.612 56.749 56.100 0.062 0.000 1.016 115 R CB -0.138 30.192 30.300 0.049 0.000 0.872 115 R HN 0.364 nan 8.270 nan 0.000 0.471 116 D N -0.044 120.386 120.400 0.050 0.000 2.339 116 D HA 0.028 4.669 4.640 0.001 0.000 0.217 116 D C 0.292 176.571 176.300 -0.035 0.000 1.050 116 D CA 0.465 54.474 54.000 0.014 0.000 0.856 116 D CB 0.442 41.260 40.800 0.029 0.000 0.922 116 D HN -0.021 nan 8.370 nan 0.000 0.518 117 R N 0.042 120.521 120.500 -0.036 0.000 2.674 117 R HA 0.547 4.887 4.340 0.001 0.000 0.266 117 R C -0.014 176.257 176.300 -0.050 0.000 1.016 117 R CA -0.340 55.706 56.100 -0.089 0.000 1.062 117 R CB 0.644 30.870 30.300 -0.124 0.000 1.142 117 R HN -0.206 nan 8.270 nan 0.000 0.517 118 T N 2.023 116.539 114.554 -0.063 0.000 2.840 118 T HA 0.469 4.820 4.350 0.001 0.000 0.287 118 T C -0.004 174.666 174.700 -0.050 0.000 0.991 118 T CA -0.594 61.480 62.100 -0.043 0.000 0.964 118 T CB 1.068 69.912 68.868 -0.041 0.000 0.954 118 T HN 0.229 nan 8.240 nan 0.000 0.438 119 I N 2.897 123.443 120.570 -0.040 0.000 2.321 119 I HA 0.447 4.618 4.170 0.001 0.000 0.291 119 I C 0.925 177.011 176.117 -0.051 0.000 0.998 119 I CA -0.489 60.781 61.300 -0.049 0.000 1.227 119 I CB 1.066 39.039 38.000 -0.045 0.000 1.368 119 I HN 0.725 nan 8.210 nan 0.000 0.466 120 G N 7.262 116.018 108.800 -0.073 0.000 2.322 120 G HA2 0.666 4.627 3.960 0.001 0.000 0.309 120 G HA3 0.666 4.627 3.960 0.001 0.000 0.309 120 G C -0.488 174.341 174.900 -0.119 0.000 1.121 120 G CA -0.420 44.627 45.100 -0.089 0.000 0.886 120 G HN 0.540 nan 8.290 nan 0.000 0.447 121 I N 2.536 123.060 120.570 -0.077 0.000 2.355 121 I HA 0.202 4.373 4.170 0.001 0.000 0.288 121 I C -0.411 175.663 176.117 -0.073 0.000 0.999 121 I CA -0.891 60.381 61.300 -0.045 0.000 1.163 121 I CB 2.130 40.149 38.000 0.032 0.000 1.316 121 I HN 0.043 nan 8.210 nan 0.000 0.454 122 V N 5.426 125.223 119.914 -0.195 0.000 2.333 122 V HA 0.691 4.812 4.120 0.001 0.000 0.274 122 V C 0.571 176.665 176.094 -0.001 0.000 1.028 122 V CA -0.489 61.709 62.300 -0.169 0.000 0.851 122 V CB 0.581 32.132 31.823 -0.452 0.000 1.000 122 V HN 1.067 nan 8.190 nan 0.000 0.456 123 G N 3.754 112.584 108.800 0.051 0.000 3.436 123 G HA2 -0.055 3.906 3.960 0.001 0.000 0.685 123 G HA3 -0.055 3.906 3.960 0.001 0.000 0.685 123 G C -0.754 174.206 174.900 0.099 0.000 1.039 123 G CA -0.439 44.708 45.100 0.079 0.000 0.879 123 G HN 0.927 nan 8.290 nan 0.000 0.478 124 V N 3.550 123.513 119.914 0.082 0.000 2.446 124 V HA 0.654 4.775 4.120 0.001 0.000 0.257 124 V C 1.342 177.478 176.094 0.070 0.000 1.036 124 V CA 0.474 62.833 62.300 0.099 0.000 1.196 124 V CB 0.167 32.107 31.823 0.195 0.000 1.446 124 V HN 1.247 nan 8.190 nan 0.000 0.558 125 G N 0.606 109.433 108.800 0.045 0.000 2.882 125 G HA2 0.165 4.126 3.960 0.001 0.000 0.164 125 G HA3 0.165 4.126 3.960 0.001 0.000 0.164 125 G C 0.904 175.815 174.900 0.018 0.000 1.429 125 G CA -0.150 44.969 45.100 0.032 0.000 1.059 125 G HN 0.311 nan 8.290 nan 0.000 0.581 126 N N -0.584 118.125 118.700 0.014 0.000 2.049 126 N HA -0.179 4.562 4.740 0.001 0.000 0.198 126 N C 2.320 177.812 175.510 -0.030 0.000 1.030 126 N CA 1.765 54.816 53.050 0.001 0.000 0.870 126 N CB -0.497 37.996 38.487 0.009 0.000 1.045 126 N HN 0.148 nan 8.380 nan 0.000 0.434 127 V N 0.581 120.461 119.914 -0.057 0.000 2.302 127 V HA -0.069 4.052 4.120 0.001 0.000 0.243 127 V C 2.523 178.479 176.094 -0.230 0.000 1.036 127 V CA 1.975 64.181 62.300 -0.157 0.000 1.020 127 V CB -1.211 30.484 31.823 -0.214 0.000 0.657 127 V HN 0.342 nan 8.190 nan 0.000 0.453 128 G N 0.500 109.185 108.800 -0.191 0.000 2.440 128 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 128 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 128 G C 1.874 176.749 174.900 -0.041 0.000 1.154 128 G CA 1.511 46.535 45.100 -0.127 0.000 0.767 128 G HN 0.634 nan 8.290 nan 0.000 0.552 129 S N 0.291 115.987 115.700 -0.007 0.000 2.402 129 S HA -0.002 4.469 4.470 0.001 0.000 0.229 129 S C 2.242 176.849 174.600 0.012 0.000 1.021 129 S CA 0.978 59.191 58.200 0.020 0.000 0.974 129 S CB -0.240 62.983 63.200 0.037 0.000 0.800 129 S HN 0.426 nan 8.310 nan 0.000 0.484 130 R N 0.150 120.645 120.500 -0.008 0.000 2.090 130 R HA 0.159 4.500 4.340 0.001 0.000 0.228 130 R C 2.311 178.632 176.300 0.036 0.000 1.110 130 R CA 1.037 57.140 56.100 0.005 0.000 0.973 130 R CB -0.605 29.683 30.300 -0.019 0.000 0.869 130 R HN 0.346 nan 8.270 nan 0.000 0.440 131 L N 1.677 122.899 121.223 -0.002 0.000 1.990 131 L HA -0.270 4.070 4.340 0.001 0.000 0.213 131 L C 2.465 179.386 176.870 0.083 0.000 1.072 131 L CA 1.915 56.778 54.840 0.039 0.000 0.755 131 L CB -0.784 41.225 42.059 -0.084 0.000 0.889 131 L HN 0.220 nan 8.230 nan 0.000 0.432 132 Q N -1.445 118.381 119.800 0.042 0.000 2.061 132 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 132 Q C 1.929 177.971 176.000 0.071 0.000 0.984 132 Q CA 2.627 58.458 55.803 0.048 0.000 0.846 132 Q CB -0.278 28.477 28.738 0.027 0.000 0.902 132 Q HN 0.562 nan 8.270 nan 0.000 0.421 133 T N 0.946 115.541 114.554 0.068 0.000 2.665 133 T HA -0.176 4.175 4.350 0.001 0.000 0.268 133 T C 1.833 176.598 174.700 0.109 0.000 1.035 133 T CA 1.756 63.899 62.100 0.071 0.000 1.151 133 T CB -0.177 68.724 68.868 0.056 0.000 0.862 133 T HN 0.366 nan 8.240 nan 0.000 0.438 134 R N 0.371 120.968 120.500 0.162 0.000 2.066 134 R HA 0.075 4.415 4.340 0.001 0.000 0.232 134 R C 2.584 179.073 176.300 0.315 0.000 1.131 134 R CA 1.007 57.245 56.100 0.230 0.000 0.955 134 R CB -0.648 29.820 30.300 0.280 0.000 0.851 134 R HN 0.345 nan 8.270 nan 0.000 0.432 135 L N 1.006 122.443 121.223 0.357 0.000 2.021 135 L HA -0.258 4.083 4.340 0.001 0.000 0.215 135 L C 2.298 179.265 176.870 0.161 0.000 1.074 135 L CA 1.663 56.661 54.840 0.265 0.000 0.760 135 L CB -0.526 41.616 42.059 0.139 0.000 0.889 135 L HN 0.304 nan 8.230 nan 0.000 0.433 136 E N -0.102 120.166 120.200 0.113 0.000 2.106 136 E HA -0.188 4.163 4.350 0.001 0.000 0.192 136 E C 2.296 178.938 176.600 0.070 0.000 0.984 136 E CA 0.992 57.435 56.400 0.072 0.000 0.806 136 E CB -0.187 29.541 29.700 0.047 0.000 0.750 136 E HN 0.515 nan 8.360 nan 0.000 0.458 137 A N 1.085 123.955 122.820 0.083 0.000 1.978 137 A HA -0.147 4.173 4.320 0.001 0.000 0.220 137 A C 2.041 179.665 177.584 0.068 0.000 1.170 137 A CA 1.076 53.154 52.037 0.069 0.000 0.636 137 A CB -0.387 18.658 19.000 0.075 0.000 0.810 137 A HN 0.172 nan 8.150 nan 0.000 0.448 138 L N -1.368 119.915 121.223 0.099 0.000 2.592 138 L HA 0.208 4.549 4.340 0.001 0.000 0.227 138 L C 1.586 178.502 176.870 0.076 0.000 1.127 138 L CA 0.470 55.366 54.840 0.093 0.000 0.884 138 L CB 0.001 42.152 42.059 0.154 0.000 1.065 138 L HN 0.576 nan 8.230 nan 0.000 0.457 139 G N 1.011 109.850 108.800 0.065 0.000 2.153 139 G HA2 -0.302 3.658 3.960 0.001 0.000 0.252 139 G HA3 -0.302 3.658 3.960 0.001 0.000 0.252 139 G C 0.246 175.176 174.900 0.050 0.000 0.994 139 G CA 0.011 45.139 45.100 0.047 0.000 0.698 139 G HN 0.327 nan 8.290 nan 0.000 0.521 140 I N 0.320 120.932 120.570 0.069 0.000 2.416 140 I HA 0.273 4.443 4.170 0.001 0.000 0.288 140 I C 1.139 177.278 176.117 0.037 0.000 1.051 140 I CA -0.787 60.548 61.300 0.059 0.000 1.375 140 I CB 0.902 38.951 38.000 0.082 0.000 1.407 140 I HN 0.164 nan 8.210 nan 0.000 0.516 141 R N 4.591 125.102 120.500 0.019 0.000 2.489 141 R HA 0.203 4.544 4.340 0.001 0.000 0.287 141 R C -0.224 176.075 176.300 -0.002 0.000 1.053 141 R CA 0.180 56.283 56.100 0.005 0.000 1.036 141 R CB 0.528 30.826 30.300 -0.004 0.000 0.966 141 R HN 0.821 nan 8.270 nan 0.000 0.432 142 T N 1.906 116.457 114.554 -0.006 0.000 2.906 142 T HA 0.592 4.943 4.350 0.001 0.000 0.295 142 T C -0.610 174.077 174.700 -0.021 0.000 1.061 142 T CA -0.985 61.107 62.100 -0.013 0.000 1.000 142 T CB 1.183 70.049 68.868 -0.003 0.000 1.103 142 T HN 0.380 nan 8.240 nan 0.000 0.486 143 L N 1.960 123.168 121.223 -0.025 0.000 2.381 143 L HA 0.619 4.959 4.340 0.001 0.000 0.268 143 L C -0.790 176.074 176.870 -0.010 0.000 0.997 143 L CA -1.149 53.677 54.840 -0.023 0.000 0.818 143 L CB 2.089 44.135 42.059 -0.022 0.000 1.310 143 L HN 0.545 nan 8.230 nan 0.000 0.416 144 L N 2.332 123.558 121.223 0.005 0.000 2.307 144 L HA 0.557 4.898 4.340 0.001 0.000 0.284 144 L C -0.597 176.367 176.870 0.157 0.000 1.023 144 L CA -0.458 54.429 54.840 0.078 0.000 0.810 144 L CB 1.830 43.926 42.059 0.062 0.000 1.231 144 L HN 0.605 nan 8.230 nan 0.000 0.423 145 C N 3.166 122.550 119.300 0.140 0.000 2.340 145 C HA 0.610 5.070 4.460 0.001 0.000 0.323 145 C C -0.736 174.316 174.990 0.104 0.000 1.260 145 C CA -0.167 58.928 59.018 0.129 0.000 1.464 145 C CB 0.623 28.392 27.740 0.047 0.000 2.156 145 C HN 0.921 nan 8.230 nan 0.000 0.476 146 D N 6.339 126.755 120.400 0.028 0.000 2.881 146 D HA 0.211 4.852 4.640 0.001 0.000 0.238 146 D C -2.112 173.989 176.300 -0.331 0.000 1.368 146 D CA -0.610 53.287 54.000 -0.172 0.000 0.871 146 D CB 1.318 41.967 40.800 -0.253 0.000 1.516 146 D HN 0.252 nan 8.370 nan 0.000 0.544 147 P HA -0.028 nan 4.420 nan 0.000 0.216 147 P C -1.623 175.506 177.300 -0.285 0.000 1.150 147 P CA 0.879 63.913 63.100 -0.109 0.000 0.837 147 P CB -0.262 31.510 31.700 0.121 0.000 0.786 148 P HA -0.100 nan 4.420 nan 0.000 0.215 148 P C 1.547 178.591 177.300 -0.426 0.000 1.153 148 P CA 1.541 64.169 63.100 -0.787 0.000 0.853 148 P CB -0.308 30.872 31.700 -0.866 0.000 0.788 149 R N -0.568 119.653 120.500 -0.466 0.000 2.096 149 R HA -0.036 4.305 4.340 0.001 0.000 0.235 149 R C 2.250 178.264 176.300 -0.477 0.000 1.127 149 R CA 1.507 57.315 56.100 -0.487 0.000 0.968 149 R CB -0.941 28.962 30.300 -0.662 0.000 0.861 149 R HN 0.149 nan 8.270 nan 0.000 0.440 150 A N 1.065 123.548 122.820 -0.560 0.000 1.930 150 A HA -0.043 4.278 4.320 0.001 0.000 0.217 150 A C 2.328 179.878 177.584 -0.056 0.000 1.175 150 A CA 1.475 53.388 52.037 -0.207 0.000 0.627 150 A CB -0.456 18.500 19.000 -0.074 0.000 0.815 150 A HN 0.378 nan 8.150 nan 0.000 0.443 151 A N -0.246 122.536 122.820 -0.064 0.000 1.898 151 A HA -0.144 4.176 4.320 0.001 0.000 0.216 151 A C 2.195 179.780 177.584 0.002 0.000 1.181 151 A CA 1.579 53.624 52.037 0.013 0.000 0.620 151 A CB -0.458 18.596 19.000 0.090 0.000 0.819 151 A HN 0.497 nan 8.150 nan 0.000 0.442 152 R N -0.632 119.844 120.500 -0.039 0.000 2.328 152 R HA 0.030 4.371 4.340 0.001 0.000 0.207 152 R C 1.142 177.442 176.300 0.000 0.000 1.056 152 R CA 0.821 56.907 56.100 -0.023 0.000 1.016 152 R CB -0.492 29.777 30.300 -0.051 0.000 0.872 152 R HN 0.766 nan 8.270 nan 0.000 0.471 153 G N 1.286 110.092 108.800 0.011 0.000 2.176 153 G HA2 -0.252 3.708 3.960 0.001 0.000 0.252 153 G HA3 -0.252 3.708 3.960 0.001 0.000 0.252 153 G C -0.651 174.298 174.900 0.082 0.000 1.024 153 G CA 0.304 45.434 45.100 0.050 0.000 0.755 153 G HN 0.418 nan 8.290 nan 0.000 0.507 154 D N 0.645 121.102 120.400 0.094 0.000 2.449 154 D HA 0.318 4.958 4.640 0.001 0.000 0.236 154 D C 1.019 177.482 176.300 0.272 0.000 1.149 154 D CA 0.362 54.465 54.000 0.173 0.000 0.878 154 D CB 0.548 41.461 40.800 0.188 0.000 1.198 154 D HN 0.531 nan 8.370 nan 0.000 0.446 155 E N -0.094 120.210 120.200 0.173 0.000 2.390 155 E HA 0.475 4.826 4.350 0.001 0.000 0.261 155 E C 0.398 177.006 176.600 0.013 0.000 1.076 155 E CA -0.178 56.279 56.400 0.094 0.000 0.905 155 E CB 0.808 30.533 29.700 0.041 0.000 0.984 155 E HN 0.571 nan 8.360 nan 0.000 0.427 156 G N 1.884 110.595 108.800 -0.148 0.000 2.362 156 G HA2 -0.140 3.821 3.960 0.001 0.000 0.656 156 G HA3 -0.140 3.821 3.960 0.001 0.000 0.656 156 G C -1.266 173.283 174.900 -0.585 0.000 1.376 156 G CA -0.878 43.945 45.100 -0.461 0.000 0.971 156 G HN 0.533 nan 8.290 nan 0.000 0.636 157 D N 0.431 120.499 120.400 -0.553 0.000 2.741 157 D HA 0.448 5.088 4.640 0.001 0.000 0.233 157 D C 0.002 176.123 176.300 -0.297 0.000 1.160 157 D CA -0.319 53.493 54.000 -0.313 0.000 1.003 157 D CB -0.547 40.147 40.800 -0.177 0.000 1.064 157 D HN 0.225 nan 8.370 nan 0.000 0.503 158 F N 2.365 122.317 119.950 0.004 0.000 2.472 158 F HA 0.297 4.825 4.527 0.001 0.000 0.364 158 F C 1.419 177.223 175.800 0.007 0.000 1.090 158 F CA -0.366 57.637 58.000 0.004 0.000 1.188 158 F CB 0.534 39.537 39.000 0.006 0.000 1.105 158 F HN -0.164 nan 8.300 nan 0.000 0.536 159 R N 0.680 121.280 120.500 0.168 0.000 2.674 159 R HA 0.454 4.795 4.340 0.001 0.000 0.266 159 R C 0.074 176.431 176.300 0.096 0.000 1.016 159 R CA -0.751 55.407 56.100 0.097 0.000 1.062 159 R CB 0.915 31.245 30.300 0.050 0.000 1.142 159 R HN 0.667 nan 8.270 nan 0.000 0.517 160 T N -1.539 113.058 114.554 0.071 0.000 2.860 160 T HA 0.058 4.408 4.350 0.001 0.000 0.299 160 T C 1.376 176.108 174.700 0.054 0.000 1.045 160 T CA -0.679 61.461 62.100 0.066 0.000 1.071 160 T CB 0.626 69.527 68.868 0.055 0.000 0.985 160 T HN 0.432 nan 8.240 nan 0.000 0.537 161 L N 0.770 122.029 121.223 0.060 0.000 2.127 161 L HA 0.010 4.350 4.340 0.001 0.000 0.211 161 L C 2.020 178.916 176.870 0.043 0.000 1.089 161 L CA 1.920 56.792 54.840 0.053 0.000 0.757 161 L CB -1.143 40.967 42.059 0.086 0.000 0.899 161 L HN 0.894 nan 8.230 nan 0.000 0.434 162 D N -0.598 119.828 120.400 0.044 0.000 2.144 162 D HA -0.194 4.446 4.640 0.001 0.000 0.199 162 D C 2.054 178.368 176.300 0.023 0.000 0.984 162 D CA 1.228 55.249 54.000 0.034 0.000 0.834 162 D CB 0.119 40.939 40.800 0.033 0.000 0.955 162 D HN 0.513 nan 8.370 nan 0.000 0.465 163 E N -0.795 119.419 120.200 0.023 0.000 2.106 163 E HA -0.136 4.215 4.350 0.001 0.000 0.192 163 E C 1.952 178.555 176.600 0.005 0.000 0.984 163 E CA 0.424 56.834 56.400 0.015 0.000 0.806 163 E CB 0.060 29.772 29.700 0.019 0.000 0.750 163 E HN 0.210 nan 8.360 nan 0.000 0.458 164 L N -0.004 121.221 121.223 0.002 0.000 2.056 164 L HA -0.159 4.181 4.340 0.001 0.000 0.207 164 L C 2.233 179.093 176.870 -0.018 0.000 1.078 164 L CA 1.095 55.924 54.840 -0.018 0.000 0.749 164 L CB -0.439 41.596 42.059 -0.041 0.000 0.901 164 L HN 0.036 nan 8.230 nan 0.000 0.433 165 V N -0.965 118.948 119.914 -0.001 0.000 2.407 165 V HA -0.321 3.799 4.120 0.001 0.000 0.248 165 V C 2.459 178.553 176.094 -0.000 0.000 1.055 165 V CA 1.575 63.878 62.300 0.006 0.000 1.049 165 V CB -0.480 31.357 31.823 0.024 0.000 0.662 165 V HN 0.525 nan 8.190 nan 0.000 0.455 166 Q N -0.592 119.209 119.800 0.000 0.000 2.046 166 Q HA -0.189 4.152 4.340 0.001 0.000 0.200 166 Q C 2.219 178.212 176.000 -0.011 0.000 0.975 166 Q CA 1.729 57.531 55.803 -0.003 0.000 0.836 166 Q CB -0.050 28.689 28.738 0.001 0.000 0.896 166 Q HN 0.674 nan 8.270 nan 0.000 0.428 167 E N -0.229 119.963 120.200 -0.014 0.000 2.307 167 E HA 0.153 4.503 4.350 0.001 0.000 0.195 167 E C -0.079 176.504 176.600 -0.030 0.000 0.975 167 E CA -0.047 56.341 56.400 -0.020 0.000 0.878 167 E CB 0.533 30.223 29.700 -0.017 0.000 0.845 167 E HN 0.171 nan 8.360 nan 0.000 0.488 168 A N 1.935 124.735 122.820 -0.034 0.000 2.322 168 A HA 0.162 4.483 4.320 0.001 0.000 0.269 168 A C -0.019 177.533 177.584 -0.055 0.000 1.094 168 A CA -0.290 51.719 52.037 -0.047 0.000 0.807 168 A CB 0.336 19.303 19.000 -0.055 0.000 1.047 168 A HN 0.145 nan 8.150 nan 0.000 0.487 169 D N -0.619 119.737 120.400 -0.072 0.000 2.503 169 D HA 0.284 4.925 4.640 0.001 0.000 0.218 169 D C -0.537 175.704 176.300 -0.099 0.000 1.183 169 D CA 0.000 53.946 54.000 -0.091 0.000 0.827 169 D CB 0.161 40.887 40.800 -0.123 0.000 1.034 169 D HN 0.153 nan 8.370 nan 0.000 0.510 170 V N 0.922 120.787 119.914 -0.081 0.000 2.612 170 V HA 0.406 4.527 4.120 0.001 0.000 0.301 170 V C -1.436 174.615 176.094 -0.072 0.000 1.059 170 V CA -0.854 61.407 62.300 -0.067 0.000 0.886 170 V CB 2.205 33.991 31.823 -0.063 0.000 1.007 170 V HN 0.077 nan 8.190 nan 0.000 0.426 171 L N 4.313 125.496 121.223 -0.066 0.000 2.316 171 L HA 0.748 5.089 4.340 0.001 0.000 0.280 171 L C -0.047 176.724 176.870 -0.165 0.000 1.006 171 L CA 0.378 55.133 54.840 -0.142 0.000 0.836 171 L CB 1.689 43.694 42.059 -0.090 0.000 1.221 171 L HN 0.781 nan 8.230 nan 0.000 0.418 172 T N 4.791 119.194 114.554 -0.251 0.000 2.807 172 T HA 0.608 4.958 4.350 0.001 0.000 0.279 172 T C -0.841 173.573 174.700 -0.476 0.000 0.993 172 T CA -0.202 61.769 62.100 -0.215 0.000 0.970 172 T CB 0.244 69.100 68.868 -0.019 0.000 0.950 172 T HN 0.218 nan 8.240 nan 0.000 0.441 173 F N 4.069 123.769 119.950 -0.417 0.000 2.420 173 F HA 0.471 4.999 4.527 0.001 0.000 0.342 173 F C 1.064 176.448 175.800 -0.693 0.000 1.113 173 F CA -0.625 57.151 58.000 -0.373 0.000 1.059 173 F CB 1.233 40.100 39.000 -0.222 0.000 1.128 173 F HN 0.602 nan 8.300 nan 0.000 0.475 174 H N 1.179 120.313 119.070 0.107 0.000 2.947 174 H HA 0.165 4.722 4.556 0.001 0.000 0.222 174 H C -0.376 174.977 175.328 0.042 0.000 1.414 174 H CA -0.273 55.805 56.048 0.051 0.000 1.224 174 H CB 0.622 30.396 29.762 0.020 0.000 2.100 174 H HN 0.585 nan 8.280 nan 0.000 0.524 175 T N -1.066 113.556 114.554 0.112 0.000 2.950 175 T HA 0.583 4.934 4.350 0.001 0.000 0.288 175 T C -2.589 172.090 174.700 -0.035 0.000 1.035 175 T CA -2.086 60.050 62.100 0.059 0.000 1.028 175 T CB 2.844 71.768 68.868 0.094 0.000 1.109 175 T HN -0.053 nan 8.240 nan 0.000 0.514 176 P HA 0.401 nan 4.420 nan 0.000 0.277 176 P C -0.992 176.061 177.300 -0.412 0.000 1.271 176 P CA -0.930 61.989 63.100 -0.302 0.000 0.795 176 P CB 0.348 31.768 31.700 -0.467 0.000 1.101 177 L N 1.407 122.404 121.223 -0.377 0.000 2.255 177 L HA 0.367 4.707 4.340 0.001 0.000 0.289 177 L C -1.365 175.315 176.870 -0.316 0.000 1.046 177 L CA -0.443 54.239 54.840 -0.263 0.000 0.816 177 L CB -0.929 41.054 42.059 -0.126 0.000 1.197 177 L HN 0.119 nan 8.230 nan 0.000 0.427 178 Y N 4.299 124.615 120.300 0.027 0.000 2.335 178 Y HA 0.406 4.956 4.550 0.001 0.000 0.338 178 Y C 1.065 176.968 175.900 0.005 0.000 0.977 178 Y CA -0.819 57.298 58.100 0.028 0.000 1.114 178 Y CB 1.635 40.131 38.460 0.059 0.000 1.182 178 Y HN 0.554 nan 8.280 nan 0.000 0.463 179 K N 1.233 121.723 120.400 0.150 0.000 2.366 179 K HA 0.008 4.329 4.320 0.001 0.000 0.198 179 K C -0.578 176.047 176.600 0.041 0.000 1.044 179 K CA 1.023 57.342 56.287 0.053 0.000 0.973 179 K CB 0.148 32.661 32.500 0.021 0.000 0.767 179 K HN 0.843 nan 8.250 nan 0.000 0.475 180 D N -2.182 118.257 120.400 0.065 0.000 2.970 180 D HA 0.424 5.065 4.640 0.001 0.000 0.344 180 D C 0.089 176.387 176.300 -0.002 0.000 1.365 180 D CA -0.097 53.915 54.000 0.021 0.000 0.910 180 D CB 0.169 40.968 40.800 -0.002 0.000 1.445 180 D HN 0.025 nan 8.370 nan 0.000 0.532 181 G N -1.092 107.679 108.800 -0.049 0.000 2.685 181 G HA2 -0.026 3.935 3.960 0.001 0.000 0.387 181 G HA3 -0.026 3.935 3.960 0.001 0.000 0.387 181 G C -2.142 172.657 174.900 -0.167 0.000 1.324 181 G CA -0.214 44.818 45.100 -0.113 0.000 0.878 181 G HN 0.620 nan 8.290 nan 0.000 0.527 182 P HA 0.115 nan 4.420 nan 0.000 0.223 182 P C 0.540 177.568 177.300 -0.453 0.000 1.151 182 P CA 1.267 64.094 63.100 -0.455 0.000 0.787 182 P CB -0.009 31.255 31.700 -0.726 0.000 0.788 183 Y N -0.203 120.062 120.300 -0.057 0.000 2.801 183 Y HA 0.257 4.808 4.550 0.001 0.000 0.318 183 Y C 0.934 176.891 175.900 0.094 0.000 1.073 183 Y CA -1.470 56.628 58.100 -0.003 0.000 1.360 183 Y CB -0.673 37.759 38.460 -0.046 0.000 1.220 183 Y HN -0.155 nan 8.280 nan 0.000 0.536 184 K N 1.228 121.724 120.400 0.160 0.000 2.484 184 K HA -0.006 4.315 4.320 0.001 0.000 0.280 184 K C 0.837 177.548 176.600 0.185 0.000 1.013 184 K CA 1.067 57.458 56.287 0.173 0.000 1.029 184 K CB 0.658 33.205 32.500 0.078 0.000 0.902 184 K HN 0.430 nan 8.250 nan 0.000 0.481 185 T N 1.617 116.280 114.554 0.182 0.000 3.003 185 T HA 0.060 4.410 4.350 0.001 0.000 0.261 185 T C 0.493 175.215 174.700 0.038 0.000 1.003 185 T CA -0.504 61.663 62.100 0.112 0.000 0.917 185 T CB 0.032 68.953 68.868 0.089 0.000 1.084 185 T HN 0.478 nan 8.240 nan 0.000 0.522 186 L N 3.802 125.040 121.223 0.026 0.000 2.562 186 L HA 0.236 4.577 4.340 0.001 0.000 0.271 186 L C 0.359 177.258 176.870 0.048 0.000 1.167 186 L CA 0.701 55.521 54.840 -0.033 0.000 0.917 186 L CB -1.193 40.800 42.059 -0.111 0.000 1.187 186 L HN 0.579 nan 8.230 nan 0.000 0.482 187 H N 2.539 121.558 119.070 -0.084 0.000 2.862 187 H HA -0.219 4.338 4.556 0.001 0.000 0.290 187 H C 1.084 176.360 175.328 -0.087 0.000 1.211 187 H CA 0.379 56.372 56.048 -0.092 0.000 1.140 187 H CB -0.683 29.047 29.762 -0.053 0.000 1.341 187 H HN 0.650 nan 8.280 nan 0.000 0.392 188 L N 0.705 121.926 121.223 -0.003 0.000 2.042 188 L HA 0.017 4.358 4.340 0.001 0.000 0.210 188 L C 1.668 178.505 176.870 -0.054 0.000 1.076 188 L CA 2.325 57.163 54.840 -0.004 0.000 0.749 188 L CB -0.240 41.834 42.059 0.024 0.000 0.893 188 L HN 0.408 nan 8.230 nan 0.000 0.432 189 A N 0.505 123.176 122.820 -0.248 0.000 2.666 189 A HA 0.392 4.713 4.320 0.001 0.000 0.312 189 A C -0.549 176.935 177.584 -0.166 0.000 1.471 189 A CA -0.486 51.426 52.037 -0.209 0.000 1.134 189 A CB -0.935 17.814 19.000 -0.418 0.000 1.129 189 A HN 0.497 nan 8.150 nan 0.000 0.539 190 D N 0.476 120.821 120.400 -0.092 0.000 2.494 190 D HA 0.155 4.796 4.640 0.001 0.000 0.259 190 D C 0.979 177.231 176.300 -0.080 0.000 1.109 190 D CA -0.736 53.197 54.000 -0.110 0.000 1.040 190 D CB 0.344 41.113 40.800 -0.053 0.000 1.175 190 D HN 0.230 nan 8.370 nan 0.000 0.584 191 E N -0.107 120.046 120.200 -0.079 0.000 2.086 191 E HA -0.252 4.099 4.350 0.001 0.000 0.205 191 E C 1.639 178.223 176.600 -0.026 0.000 1.027 191 E CA 2.252 58.622 56.400 -0.050 0.000 0.830 191 E CB -0.530 29.146 29.700 -0.039 0.000 0.751 191 E HN 0.613 nan 8.360 nan 0.000 0.456 192 T N 2.028 116.573 114.554 -0.015 0.000 2.652 192 T HA -0.180 4.171 4.350 0.001 0.000 0.267 192 T C 2.041 176.744 174.700 0.004 0.000 1.039 192 T CA 1.563 63.662 62.100 -0.002 0.000 1.153 192 T CB -0.483 68.389 68.868 0.005 0.000 0.863 192 T HN 0.241 nan 8.240 nan 0.000 0.428 193 L N 0.272 121.500 121.223 0.010 0.000 2.017 193 L HA -0.054 4.287 4.340 0.001 0.000 0.208 193 L C 2.324 179.207 176.870 0.021 0.000 1.073 193 L CA 1.438 56.294 54.840 0.027 0.000 0.745 193 L CB -0.338 41.752 42.059 0.051 0.000 0.894 193 L HN 0.264 nan 8.230 nan 0.000 0.432 194 I N -0.218 120.353 120.570 0.002 0.000 2.127 194 I HA -0.347 3.823 4.170 0.001 0.000 0.241 194 I C 2.784 178.901 176.117 0.000 0.000 1.075 194 I CA 1.679 62.978 61.300 -0.002 0.000 1.334 194 I CB -0.442 37.542 38.000 -0.026 0.000 1.040 194 I HN 0.313 nan 8.210 nan 0.000 0.405 195 R N 1.350 121.848 120.500 -0.004 0.000 2.159 195 R HA -0.176 4.165 4.340 0.001 0.000 0.237 195 R C 2.129 178.430 176.300 0.002 0.000 1.131 195 R CA 1.456 57.555 56.100 -0.002 0.000 0.982 195 R CB -0.138 30.160 30.300 -0.004 0.000 0.868 195 R HN 0.337 nan 8.270 nan 0.000 0.453 196 R N 0.125 120.628 120.500 0.006 0.000 2.299 196 R HA 0.142 4.482 4.340 0.001 0.000 0.197 196 R C 0.381 176.684 176.300 0.006 0.000 0.971 196 R CA -0.074 56.030 56.100 0.007 0.000 1.030 196 R CB 0.003 30.310 30.300 0.011 0.000 0.932 196 R HN 0.155 nan 8.270 nan 0.000 0.477 197 L N 2.000 123.228 121.223 0.007 0.000 2.485 197 L HA 0.002 4.343 4.340 0.001 0.000 0.275 197 L C 0.372 177.238 176.870 -0.006 0.000 1.207 197 L CA 0.146 54.988 54.840 0.003 0.000 0.855 197 L CB 0.274 42.337 42.059 0.007 0.000 1.114 197 L HN -0.032 nan 8.230 nan 0.000 0.485 198 K N 3.400 123.791 120.400 -0.014 0.000 2.485 198 K HA 0.064 4.384 4.320 0.001 0.000 0.277 198 K C -2.197 174.390 176.600 -0.022 0.000 0.990 198 K CA -1.227 55.048 56.287 -0.021 0.000 0.994 198 K CB -0.029 32.452 32.500 -0.032 0.000 0.906 198 K HN 0.284 nan 8.250 nan 0.000 0.488 199 P HA -0.082 nan 4.420 nan 0.000 0.264 199 P C 0.442 177.725 177.300 -0.029 0.000 1.183 199 P CA 0.892 63.982 63.100 -0.016 0.000 0.763 199 P CB 0.507 32.200 31.700 -0.012 0.000 0.807 200 G N 1.462 110.247 108.800 -0.024 0.000 2.159 200 G HA2 -0.152 3.809 3.960 0.001 0.000 0.256 200 G HA3 -0.152 3.809 3.960 0.001 0.000 0.256 200 G C 0.470 175.328 174.900 -0.070 0.000 0.977 200 G CA -0.034 45.041 45.100 -0.040 0.000 0.652 200 G HN 0.847 nan 8.290 nan 0.000 0.531 201 A N -0.506 122.284 122.820 -0.050 0.000 2.406 201 A HA 0.699 5.019 4.320 0.001 0.000 0.243 201 A C 0.411 177.975 177.584 -0.034 0.000 1.082 201 A CA 0.362 52.366 52.037 -0.054 0.000 0.786 201 A CB 0.391 19.371 19.000 -0.032 0.000 1.029 201 A HN 0.870 nan 8.150 nan 0.000 0.495 202 I N 1.022 121.572 120.570 -0.034 0.000 2.436 202 I HA 0.319 4.490 4.170 0.001 0.000 0.289 202 I C -0.871 175.251 176.117 0.009 0.000 1.010 202 I CA -0.541 60.759 61.300 -0.000 0.000 1.098 202 I CB 1.716 39.722 38.000 0.010 0.000 1.266 202 I HN 0.566 nan 8.210 nan 0.000 0.434 203 L N 8.533 129.771 121.223 0.025 0.000 2.322 203 L HA 0.659 5.000 4.340 0.001 0.000 0.281 203 L C -1.002 175.895 176.870 0.043 0.000 1.014 203 L CA -0.070 54.799 54.840 0.049 0.000 0.815 203 L CB 1.188 43.276 42.059 0.049 0.000 1.247 203 L HN 0.388 nan 8.230 nan 0.000 0.421 204 I N 4.400 125.009 120.570 0.066 0.000 2.466 204 I HA 0.414 4.584 4.170 0.001 0.000 0.289 204 I C -0.875 175.268 176.117 0.043 0.000 1.026 204 I CA -0.686 60.643 61.300 0.049 0.000 1.078 204 I CB 1.898 39.933 38.000 0.060 0.000 1.249 204 I HN 0.571 nan 8.210 nan 0.000 0.429 205 N N 4.847 123.525 118.700 -0.037 0.000 2.531 205 N HA 0.604 5.344 4.740 0.001 0.000 0.268 205 N C -0.548 174.866 175.510 -0.160 0.000 1.023 205 N CA -0.306 52.676 53.050 -0.114 0.000 0.896 205 N CB 1.941 40.304 38.487 -0.206 0.000 1.233 205 N HN 0.742 nan 8.380 nan 0.000 0.512 206 A N 2.314 125.043 122.820 -0.153 0.000 2.610 206 A HA 0.250 4.571 4.320 0.001 0.000 0.290 206 A C 1.140 178.637 177.584 -0.145 0.000 1.001 206 A CA -0.239 51.684 52.037 -0.189 0.000 1.004 206 A CB -0.895 18.003 19.000 -0.169 0.000 1.220 206 A HN 0.786 nan 8.150 nan 0.000 0.507 207 C N -1.151 118.061 119.300 -0.146 0.000 3.215 207 C HA 0.661 5.122 4.460 0.001 0.000 0.208 207 C C 0.354 175.266 174.990 -0.129 0.000 2.291 207 C CA -0.248 58.722 59.018 -0.081 0.000 1.285 207 C CB -0.113 27.610 27.740 -0.028 0.000 1.320 207 C HN 0.335 nan 8.230 nan 0.000 0.759 208 R N 1.180 121.601 120.500 -0.132 0.000 2.628 208 R HA 0.420 4.761 4.340 0.001 0.000 0.288 208 R C 1.023 177.239 176.300 -0.141 0.000 0.980 208 R CA 0.101 56.127 56.100 -0.122 0.000 0.891 208 R CB 0.941 31.191 30.300 -0.082 0.000 1.188 208 R HN 0.679 nan 8.270 nan 0.000 0.450 209 G N 2.955 111.686 108.800 -0.116 0.000 2.599 209 G HA2 -0.229 3.732 3.960 0.001 0.000 0.219 209 G HA3 -0.229 3.732 3.960 0.001 0.000 0.219 209 G C -1.128 173.726 174.900 -0.077 0.000 1.193 209 G CA 0.875 45.918 45.100 -0.096 0.000 0.778 209 G HN 0.404 nan 8.290 nan 0.000 0.589 210 P HA 0.160 nan 4.420 nan 0.000 0.249 210 P C 1.526 178.837 177.300 0.019 0.000 1.241 210 P CA -0.049 63.066 63.100 0.024 0.000 0.781 210 P CB 0.340 32.032 31.700 -0.013 0.000 1.088 211 V N -1.063 118.792 119.914 -0.098 0.000 2.548 211 V HA -0.079 4.042 4.120 0.001 0.000 0.249 211 V C 1.205 177.126 176.094 -0.288 0.000 1.055 211 V CA 1.188 63.383 62.300 -0.175 0.000 1.065 211 V CB -0.211 31.473 31.823 -0.231 0.000 0.681 211 V HN -0.065 nan 8.190 nan 0.000 0.462 212 V N 1.189 120.930 119.914 -0.288 0.000 2.394 212 V HA 0.256 4.377 4.120 0.001 0.000 0.282 212 V C -0.046 175.923 176.094 -0.208 0.000 1.031 212 V CA -0.748 61.368 62.300 -0.307 0.000 0.881 212 V CB 1.512 33.141 31.823 -0.323 0.000 0.982 212 V HN 0.309 nan 8.190 nan 0.000 0.451 213 D N 4.155 124.354 120.400 -0.335 0.000 2.348 213 D HA 0.042 4.683 4.640 0.001 0.000 0.259 213 D C 1.127 177.269 176.300 -0.263 0.000 1.296 213 D CA 0.498 54.169 54.000 -0.548 0.000 0.931 213 D CB 0.233 40.562 40.800 -0.786 0.000 1.067 213 D HN 0.605 nan 8.370 nan 0.000 0.503 214 N N 2.403 121.020 118.700 -0.138 0.000 2.166 214 N HA -0.192 4.548 4.740 0.001 0.000 0.186 214 N C 1.588 177.074 175.510 -0.040 0.000 1.019 214 N CA 1.048 54.066 53.050 -0.054 0.000 0.856 214 N CB 0.173 38.683 38.487 0.038 0.000 0.993 214 N HN 0.457 nan 8.380 nan 0.000 0.426 215 A N 1.530 124.319 122.820 -0.052 0.000 1.855 215 A HA 0.002 4.322 4.320 0.001 0.000 0.215 215 A C 2.404 179.956 177.584 -0.054 0.000 1.191 215 A CA 1.603 53.619 52.037 -0.035 0.000 0.613 215 A CB -0.918 18.067 19.000 -0.025 0.000 0.829 215 A HN 0.321 nan 8.150 nan 0.000 0.442 216 A N -0.459 122.300 122.820 -0.101 0.000 1.917 216 A HA -0.140 4.181 4.320 0.001 0.000 0.219 216 A C 2.170 179.713 177.584 -0.069 0.000 1.182 216 A CA 1.996 53.977 52.037 -0.093 0.000 0.633 216 A CB -0.690 18.227 19.000 -0.140 0.000 0.819 216 A HN 0.752 nan 8.150 nan 0.000 0.448 217 L N -0.846 120.331 121.223 -0.077 0.000 2.027 217 L HA -0.089 4.252 4.340 0.001 0.000 0.206 217 L C 2.263 179.120 176.870 -0.021 0.000 1.074 217 L CA 2.167 56.975 54.840 -0.054 0.000 0.745 217 L CB -0.734 41.283 42.059 -0.068 0.000 0.898 217 L HN 0.363 nan 8.230 nan 0.000 0.433 218 L N 0.314 121.533 121.223 -0.007 0.000 2.013 218 L HA -0.171 4.170 4.340 0.001 0.000 0.212 218 L C 2.522 179.396 176.870 0.005 0.000 1.073 218 L CA 2.318 57.167 54.840 0.014 0.000 0.753 218 L CB -1.307 40.768 42.059 0.027 0.000 0.890 218 L HN 0.313 nan 8.230 nan 0.000 0.432 219 A N -0.671 122.146 122.820 -0.005 0.000 1.940 219 A HA -0.213 4.108 4.320 0.001 0.000 0.219 219 A C 2.293 179.874 177.584 -0.005 0.000 1.176 219 A CA 1.700 53.733 52.037 -0.006 0.000 0.631 219 A CB -0.537 18.456 19.000 -0.012 0.000 0.814 219 A HN 0.472 nan 8.150 nan 0.000 0.446 220 R N -0.507 119.987 120.500 -0.011 0.000 2.090 220 R HA 0.062 4.403 4.340 0.001 0.000 0.228 220 R C 2.030 178.330 176.300 -0.000 0.000 1.110 220 R CA 0.959 57.054 56.100 -0.008 0.000 0.973 220 R CB -1.004 29.288 30.300 -0.014 0.000 0.869 220 R HN 0.602 nan 8.270 nan 0.000 0.440 221 L N 0.863 122.089 121.223 0.004 0.000 2.072 221 L HA -0.117 4.223 4.340 0.001 0.000 0.205 221 L C 1.831 178.710 176.870 0.014 0.000 1.079 221 L CA 0.971 55.818 54.840 0.012 0.000 0.752 221 L CB -0.389 41.682 42.059 0.019 0.000 0.906 221 L HN 0.126 nan 8.230 nan 0.000 0.436 222 N N 0.389 119.097 118.700 0.013 0.000 2.244 222 N HA -0.110 4.630 4.740 0.001 0.000 0.183 222 N C 1.725 177.241 175.510 0.009 0.000 1.016 222 N CA 1.325 54.382 53.050 0.012 0.000 0.866 222 N CB -0.159 38.335 38.487 0.011 0.000 0.980 222 N HN 0.262 nan 8.380 nan 0.000 0.430 223 A N 0.019 122.843 122.820 0.006 0.000 2.209 223 A HA 0.275 4.596 4.320 0.001 0.000 0.212 223 A C 1.481 179.069 177.584 0.006 0.000 1.158 223 A CA 1.117 53.157 52.037 0.005 0.000 0.742 223 A CB -0.453 18.548 19.000 0.002 0.000 0.790 223 A HN 0.352 nan 8.150 nan 0.000 0.472 224 G N -1.244 107.561 108.800 0.008 0.000 2.131 224 G HA2 -0.263 3.698 3.960 0.001 0.000 0.223 224 G HA3 -0.263 3.698 3.960 0.001 0.000 0.223 224 G C 0.090 174.995 174.900 0.009 0.000 0.990 224 G CA 0.262 45.368 45.100 0.010 0.000 0.671 224 G HN 0.867 nan 8.290 nan 0.000 0.521 225 Q N 1.261 121.065 119.800 0.007 0.000 2.274 225 Q HA 0.354 4.694 4.340 0.001 0.000 0.280 225 Q C -1.758 174.247 176.000 0.009 0.000 1.047 225 Q CA -1.067 54.739 55.803 0.006 0.000 0.907 225 Q CB 0.533 29.272 28.738 0.003 0.000 1.171 225 Q HN 0.251 nan 8.270 nan 0.000 0.381 226 P HA 0.065 nan 4.420 nan 0.000 0.266 226 P C -1.364 175.941 177.300 0.009 0.000 1.419 226 P CA 0.112 63.219 63.100 0.011 0.000 1.112 226 P CB -0.017 31.688 31.700 0.008 0.000 1.438 227 L N 1.933 123.164 121.223 0.015 0.000 2.526 227 L HA 0.467 4.808 4.340 0.001 0.000 0.263 227 L C -0.939 175.946 176.870 0.024 0.000 0.943 227 L CA -0.274 54.574 54.840 0.013 0.000 0.859 227 L CB 2.347 44.411 42.059 0.008 0.000 1.313 227 L HN -0.042 nan 8.230 nan 0.000 0.406 228 S N 2.641 118.358 115.700 0.029 0.000 2.565 228 S HA 0.910 5.381 4.470 0.001 0.000 0.290 228 S C -0.951 173.669 174.600 0.034 0.000 1.150 228 S CA -0.532 57.694 58.200 0.044 0.000 1.058 228 S CB 1.763 65.006 63.200 0.071 0.000 1.032 228 S HN 0.486 nan 8.310 nan 0.000 0.510 229 V N 2.801 122.735 119.914 0.033 0.000 2.760 229 V HA 0.521 4.642 4.120 0.001 0.000 0.309 229 V C -0.978 175.127 176.094 0.017 0.000 1.077 229 V CA -0.686 61.623 62.300 0.015 0.000 0.910 229 V CB 2.078 33.898 31.823 -0.005 0.000 1.008 229 V HN 0.650 nan 8.190 nan 0.000 0.424 230 V N 5.858 125.777 119.914 0.009 0.000 2.443 230 V HA 0.567 4.687 4.120 0.001 0.000 0.293 230 V C -0.555 175.523 176.094 -0.026 0.000 1.021 230 V CA -0.405 61.912 62.300 0.028 0.000 0.848 230 V CB 1.670 33.533 31.823 0.067 0.000 0.998 230 V HN 0.645 nan 8.190 nan 0.000 0.424 231 L N 3.529 124.690 121.223 -0.104 0.000 2.385 231 L HA 0.568 4.909 4.340 0.001 0.000 0.273 231 L C 0.223 176.949 176.870 -0.239 0.000 0.990 231 L CA -0.337 54.280 54.840 -0.371 0.000 0.821 231 L CB 2.344 43.818 42.059 -0.975 0.000 1.279 231 L HN 0.629 nan 8.230 nan 0.000 0.412 232 D N 1.304 121.562 120.400 -0.237 0.000 2.479 232 D HA 0.123 4.764 4.640 0.001 0.000 0.216 232 D C -0.312 175.877 176.300 -0.186 0.000 1.110 232 D CA 0.242 54.180 54.000 -0.105 0.000 0.841 232 D CB 0.993 41.604 40.800 -0.315 0.000 1.040 232 D HN 0.201 nan 8.370 nan 0.000 0.505 233 V N -2.013 117.624 119.914 -0.461 0.000 2.789 233 V HA 0.822 4.942 4.120 0.001 0.000 0.311 233 V C -1.474 174.339 176.094 -0.468 0.000 1.073 233 V CA -0.891 61.192 62.300 -0.362 0.000 0.921 233 V CB 1.289 32.833 31.823 -0.465 0.000 1.009 233 V HN 0.001 nan 8.190 nan 0.000 0.426 234 W N 0.243 121.507 121.300 -0.059 0.000 2.936 234 W HA 0.626 5.287 4.660 0.001 0.000 0.338 234 W C -0.047 176.434 176.519 -0.064 0.000 1.121 234 W CA -0.567 56.748 57.345 -0.050 0.000 1.209 234 W CB 1.405 30.840 29.460 -0.043 0.000 1.420 234 W HN 0.644 nan 8.180 nan 0.000 0.516 235 E N 0.979 121.276 120.200 0.161 0.000 2.415 235 E HA 0.342 4.693 4.350 0.001 0.000 0.263 235 E C 0.922 177.572 176.600 0.084 0.000 0.995 235 E CA 1.275 57.733 56.400 0.098 0.000 0.915 235 E CB 0.515 30.268 29.700 0.089 0.000 0.951 235 E HN 0.843 nan 8.360 nan 0.000 0.449 236 G N 3.210 112.027 108.800 0.027 0.000 2.175 236 G HA2 -0.297 3.663 3.960 0.001 0.000 0.244 236 G HA3 -0.297 3.663 3.960 0.001 0.000 0.244 236 G C 0.065 174.907 174.900 -0.097 0.000 0.982 236 G CA -0.159 44.927 45.100 -0.025 0.000 0.641 236 G HN 0.606 nan 8.290 nan 0.000 0.527 237 E N 1.047 121.181 120.200 -0.109 0.000 2.829 237 E HA 0.075 4.426 4.350 0.001 0.000 0.264 237 E C -0.662 175.785 176.600 -0.256 0.000 0.922 237 E CA 0.137 56.364 56.400 -0.289 0.000 0.960 237 E CB 0.911 30.533 29.700 -0.129 0.000 0.918 237 E HN 0.340 nan 8.360 nan 0.000 0.497 238 P HA 0.026 nan 4.420 nan 0.000 0.255 238 P C -0.557 176.387 177.300 -0.593 0.000 1.248 238 P CA 0.300 62.912 63.100 -0.814 0.000 0.807 238 P CB 0.373 31.813 31.700 -0.433 0.000 1.150 239 D N 1.547 121.753 120.400 -0.323 0.000 2.767 239 D HA 0.110 4.751 4.640 0.001 0.000 0.231 239 D C 0.579 176.749 176.300 -0.217 0.000 1.105 239 D CA -0.074 53.796 54.000 -0.218 0.000 1.024 239 D CB -0.721 40.003 40.800 -0.126 0.000 1.123 239 D HN 0.171 nan 8.370 nan 0.000 0.470 240 L N -1.376 119.647 121.223 -0.333 0.000 2.483 240 L HA 0.187 4.528 4.340 0.001 0.000 0.275 240 L C 0.578 177.344 176.870 -0.174 0.000 1.220 240 L CA -0.330 54.332 54.840 -0.297 0.000 0.833 240 L CB 0.316 41.927 42.059 -0.748 0.000 1.102 240 L HN -0.058 nan 8.230 nan 0.000 0.490 241 N N 1.435 120.111 118.700 -0.039 0.000 2.406 241 N HA 0.015 4.755 4.740 0.001 0.000 0.265 241 N C 0.778 176.269 175.510 -0.032 0.000 1.203 241 N CA 0.055 53.103 53.050 -0.004 0.000 0.945 241 N CB 1.165 39.692 38.487 0.067 0.000 1.165 241 N HN 0.659 nan 8.380 nan 0.000 0.485 242 V N 4.509 124.386 119.914 -0.061 0.000 2.358 242 V HA -0.211 3.910 4.120 0.001 0.000 0.246 242 V C 2.387 178.477 176.094 -0.007 0.000 1.047 242 V CA 2.098 64.358 62.300 -0.068 0.000 1.035 242 V CB -0.850 30.937 31.823 -0.059 0.000 0.658 242 V HN 0.807 nan 8.190 nan 0.000 0.452 243 A N -0.069 122.759 122.820 0.013 0.000 1.940 243 A HA -0.239 4.082 4.320 0.001 0.000 0.219 243 A C 2.167 179.791 177.584 0.066 0.000 1.176 243 A CA 2.277 54.333 52.037 0.032 0.000 0.631 243 A CB -0.571 18.445 19.000 0.026 0.000 0.814 243 A HN 0.481 nan 8.150 nan 0.000 0.446 244 L N -0.844 120.440 121.223 0.102 0.000 2.056 244 L HA -0.070 4.270 4.340 0.001 0.000 0.207 244 L C 2.196 179.215 176.870 0.248 0.000 1.078 244 L CA 1.959 56.901 54.840 0.169 0.000 0.749 244 L CB -0.634 41.562 42.059 0.227 0.000 0.901 244 L HN 0.335 nan 8.230 nan 0.000 0.433 245 L N 0.244 121.621 121.223 0.256 0.000 1.997 245 L HA -0.282 4.059 4.340 0.001 0.000 0.216 245 L C 2.363 179.329 176.870 0.159 0.000 1.074 245 L CA 2.161 57.143 54.840 0.237 0.000 0.763 245 L CB -0.913 41.127 42.059 -0.033 0.000 0.890 245 L HN 0.458 nan 8.230 nan 0.000 0.434 246 E N -0.745 119.510 120.200 0.091 0.000 2.267 246 E HA -0.182 4.168 4.350 0.001 0.000 0.197 246 E C 1.965 178.611 176.600 0.077 0.000 0.998 246 E CA 0.989 57.431 56.400 0.070 0.000 0.830 246 E CB -0.269 29.457 29.700 0.044 0.000 0.751 246 E HN 0.693 nan 8.360 nan 0.000 0.491 247 A N 1.005 123.880 122.820 0.092 0.000 2.095 247 A HA 0.080 4.401 4.320 0.001 0.000 0.212 247 A C 1.245 178.878 177.584 0.082 0.000 1.162 247 A CA 0.046 52.129 52.037 0.076 0.000 0.753 247 A CB -0.014 19.026 19.000 0.066 0.000 0.840 247 A HN 0.138 nan 8.150 nan 0.000 0.468 248 V N -2.115 117.867 119.914 0.115 0.000 2.904 248 V HA 0.400 4.520 4.120 0.001 0.000 0.305 248 V C 0.396 176.547 176.094 0.095 0.000 1.067 248 V CA 0.062 62.422 62.300 0.100 0.000 1.044 248 V CB 0.986 32.876 31.823 0.112 0.000 1.050 248 V HN 0.316 nan 8.190 nan 0.000 0.475 249 D N 1.279 121.723 120.400 0.074 0.000 2.120 249 D HA 0.180 4.820 4.640 0.001 0.000 0.202 249 D C 0.291 176.634 176.300 0.072 0.000 0.972 249 D CA 1.269 55.308 54.000 0.066 0.000 0.837 249 D CB 0.093 40.928 40.800 0.058 0.000 0.989 249 D HN 0.419 nan 8.370 nan 0.000 0.469 250 I N 0.354 120.972 120.570 0.080 0.000 2.533 250 I HA 0.494 4.665 4.170 0.001 0.000 0.290 250 I C -0.126 176.092 176.117 0.168 0.000 1.056 250 I CA -0.479 60.878 61.300 0.097 0.000 1.057 250 I CB 1.744 39.768 38.000 0.040 0.000 1.240 250 I HN -0.093 nan 8.210 nan 0.000 0.423 251 G N 3.930 112.886 108.800 0.259 0.000 2.707 251 G HA2 0.687 4.647 3.960 0.001 0.000 0.299 251 G HA3 0.687 4.647 3.960 0.001 0.000 0.299 251 G C -0.742 174.438 174.900 0.468 0.000 1.442 251 G CA -0.353 45.035 45.100 0.481 0.000 1.009 251 G HN 0.621 nan 8.290 nan 0.000 0.515 252 T N -1.644 113.230 114.554 0.533 0.000 2.883 252 T HA 0.613 4.964 4.350 0.001 0.000 0.296 252 T C 0.595 175.521 174.700 0.378 0.000 1.117 252 T CA -0.321 62.005 62.100 0.377 0.000 1.006 252 T CB 1.700 70.798 68.868 0.382 0.000 1.191 252 T HN 1.024 nan 8.240 nan 0.000 0.508 253 S N 0.519 116.251 115.700 0.054 0.000 3.697 253 S HA 0.176 4.647 4.470 0.001 0.000 0.207 253 S C 0.425 174.899 174.600 -0.210 0.000 1.459 253 S CA -0.168 57.843 58.200 -0.315 0.000 1.122 253 S CB -1.626 61.006 63.200 -0.946 0.000 1.311 253 S HN 1.210 nan 8.310 nan 0.000 0.487 254 H N 0.206 119.275 119.070 -0.001 0.000 2.748 254 H HA -0.154 4.403 4.556 0.001 0.000 0.322 254 H C 0.102 175.160 175.328 -0.449 0.000 1.208 254 H CA 0.672 56.665 56.048 -0.092 0.000 1.151 254 H CB -1.314 28.517 29.762 0.115 0.000 1.505 254 H HN 0.770 nan 8.280 nan 0.000 0.429 255 I N -2.813 117.541 120.570 -0.360 0.000 4.154 255 I HA 0.434 4.604 4.170 0.001 0.000 0.334 255 I C 2.007 177.864 176.117 -0.432 0.000 1.371 255 I CA 0.511 61.360 61.300 -0.752 0.000 1.110 255 I CB -0.129 37.323 38.000 -0.913 0.000 1.085 255 I HN 0.263 nan 8.210 nan 0.000 0.398 256 A N 1.812 124.409 122.820 -0.370 0.000 1.948 256 A HA -0.035 4.286 4.320 0.001 0.000 0.220 256 A C 2.256 179.748 177.584 -0.152 0.000 1.177 256 A CA 1.903 53.684 52.037 -0.427 0.000 0.636 256 A CB -1.443 17.043 19.000 -0.856 0.000 0.815 256 A HN 0.552 nan 8.150 nan 0.000 0.449 257 G N -3.041 105.724 108.800 -0.058 0.000 2.920 257 G HA2 0.117 4.077 3.960 0.001 0.000 0.208 257 G HA3 0.117 4.077 3.960 0.001 0.000 0.208 257 G C 0.379 175.366 174.900 0.144 0.000 1.159 257 G CA -0.003 45.127 45.100 0.051 0.000 0.784 257 G HN 0.429 nan 8.290 nan 0.000 0.535 258 Y N 2.939 123.127 120.300 -0.186 0.000 3.040 258 Y HA 0.198 4.749 4.550 0.001 0.000 0.392 258 Y C 1.483 177.365 175.900 -0.031 0.000 1.105 258 Y CA -1.079 56.915 58.100 -0.176 0.000 1.950 258 Y CB -1.239 36.928 38.460 -0.489 0.000 2.014 258 Y HN 0.065 nan 8.280 nan 0.000 0.433 259 T N -3.809 110.785 114.554 0.065 0.000 2.874 259 T HA 0.283 4.633 4.350 0.001 0.000 0.281 259 T C 1.526 176.249 174.700 0.038 0.000 0.994 259 T CA -0.768 61.362 62.100 0.050 0.000 1.015 259 T CB 1.193 70.058 68.868 -0.005 0.000 1.028 259 T HN 0.321 nan 8.240 nan 0.000 0.523 260 L N 0.187 121.441 121.223 0.052 0.000 2.079 260 L HA -0.116 4.225 4.340 0.001 0.000 0.210 260 L C 2.809 179.707 176.870 0.047 0.000 1.081 260 L CA 1.577 56.447 54.840 0.050 0.000 0.752 260 L CB -0.716 41.384 42.059 0.069 0.000 0.896 260 L HN 0.733 nan 8.230 nan 0.000 0.433 261 E N 0.339 120.558 120.200 0.032 0.000 2.058 261 E HA -0.162 4.188 4.350 0.001 0.000 0.194 261 E C 2.191 178.798 176.600 0.011 0.000 0.997 261 E CA 1.382 57.793 56.400 0.019 0.000 0.801 261 E CB -0.555 29.147 29.700 0.004 0.000 0.746 261 E HN 0.465 nan 8.360 nan 0.000 0.450 262 G N 0.739 109.539 108.800 -0.001 0.000 2.404 262 G HA2 -0.288 3.673 3.960 0.001 0.000 0.215 262 G HA3 -0.288 3.673 3.960 0.001 0.000 0.215 262 G C 1.407 176.301 174.900 -0.011 0.000 1.174 262 G CA 0.893 45.990 45.100 -0.006 0.000 0.780 262 G HN 0.151 nan 8.290 nan 0.000 0.537 263 K N 0.573 120.951 120.400 -0.037 0.000 2.032 263 K HA -0.012 4.309 4.320 0.001 0.000 0.209 263 K C 2.919 179.529 176.600 0.016 0.000 1.048 263 K CA 1.243 57.493 56.287 -0.061 0.000 0.927 263 K CB -0.287 32.141 32.500 -0.121 0.000 0.712 263 K HN 0.255 nan 8.250 nan 0.000 0.441 264 A N 1.167 124.027 122.820 0.067 0.000 1.933 264 A HA -0.175 4.145 4.320 0.001 0.000 0.218 264 A C 2.025 179.651 177.584 0.069 0.000 1.175 264 A CA 1.399 53.513 52.037 0.127 0.000 0.628 264 A CB -0.376 18.703 19.000 0.132 0.000 0.814 264 A HN 0.202 nan 8.150 nan 0.000 0.444 265 R N -0.981 119.543 120.500 0.040 0.000 2.115 265 R HA -0.074 4.267 4.340 0.001 0.000 0.230 265 R C 2.351 178.683 176.300 0.054 0.000 1.111 265 R CA 0.873 56.994 56.100 0.035 0.000 0.976 265 R CB -0.486 29.828 30.300 0.022 0.000 0.870 265 R HN 0.549 nan 8.270 nan 0.000 0.445 266 G N -0.256 108.575 108.800 0.053 0.000 2.440 266 G HA2 -0.257 3.703 3.960 0.001 0.000 0.218 266 G HA3 -0.257 3.703 3.960 0.001 0.000 0.218 266 G C 1.303 176.270 174.900 0.112 0.000 1.154 266 G CA 1.298 46.437 45.100 0.066 0.000 0.767 266 G HN 0.262 nan 8.290 nan 0.000 0.552 267 T N 0.431 115.061 114.554 0.126 0.000 2.770 267 T HA -0.073 4.278 4.350 0.001 0.000 0.263 267 T C 2.590 177.401 174.700 0.185 0.000 1.039 267 T CA 1.622 63.840 62.100 0.196 0.000 1.142 267 T CB -0.495 68.486 68.868 0.189 0.000 0.868 267 T HN 0.243 nan 8.240 nan 0.000 0.435 268 T N 2.119 116.737 114.554 0.107 0.000 2.684 268 T HA -0.130 4.220 4.350 0.001 0.000 0.267 268 T C 2.179 176.975 174.700 0.159 0.000 1.036 268 T CA 1.331 63.483 62.100 0.087 0.000 1.148 268 T CB -0.248 68.639 68.868 0.031 0.000 0.863 268 T HN 0.458 nan 8.240 nan 0.000 0.436 269 Q N -0.182 119.695 119.800 0.128 0.000 2.123 269 Q HA 0.011 4.352 4.340 0.001 0.000 0.199 269 Q C 2.491 178.581 176.000 0.150 0.000 0.966 269 Q CA 0.863 56.734 55.803 0.114 0.000 0.845 269 Q CB -0.098 28.686 28.738 0.077 0.000 0.907 269 Q HN 0.318 nan 8.270 nan 0.000 0.439 270 V N 0.537 120.573 119.914 0.203 0.000 2.515 270 V HA -0.211 3.909 4.120 0.001 0.000 0.250 270 V C 1.799 178.115 176.094 0.371 0.000 1.058 270 V CA 1.411 63.886 62.300 0.292 0.000 1.064 270 V CB -0.473 31.542 31.823 0.320 0.000 0.675 270 V HN 0.330 nan 8.190 nan 0.000 0.461 271 F N 1.487 121.495 119.950 0.098 0.000 2.134 271 F HA -0.171 4.356 4.527 0.001 0.000 0.299 271 F C 2.295 178.052 175.800 -0.071 0.000 1.097 271 F CA 2.082 59.963 58.000 -0.198 0.000 1.264 271 F CB -0.131 38.603 39.000 -0.442 0.000 1.001 271 F HN 0.228 nan 8.300 nan 0.000 0.479 272 E N 0.480 120.684 120.200 0.006 0.000 2.031 272 E HA -0.200 4.150 4.350 0.001 0.000 0.193 272 E C 2.434 178.973 176.600 -0.102 0.000 0.994 272 E CA 1.121 57.466 56.400 -0.092 0.000 0.800 272 E CB -0.568 29.150 29.700 0.029 0.000 0.752 272 E HN 0.489 nan 8.360 nan 0.000 0.447 273 A N 1.075 123.905 122.820 0.017 0.000 1.873 273 A HA -0.253 4.067 4.320 0.001 0.000 0.218 273 A C 2.137 179.712 177.584 -0.014 0.000 1.193 273 A CA 1.753 53.834 52.037 0.073 0.000 0.629 273 A CB -0.958 18.156 19.000 0.189 0.000 0.826 273 A HN 0.405 nan 8.150 nan 0.000 0.447 274 Y N 0.664 120.809 120.300 -0.258 0.000 2.224 274 Y HA -0.141 4.410 4.550 0.001 0.000 0.289 274 Y C 2.905 178.596 175.900 -0.348 0.000 1.146 274 Y CA 1.268 59.003 58.100 -0.608 0.000 1.182 274 Y CB -0.681 37.520 38.460 -0.431 0.000 0.983 274 Y HN 0.308 nan 8.280 nan 0.000 0.524 275 S N -0.314 115.116 115.700 -0.450 0.000 2.370 275 S HA -0.242 4.229 4.470 0.001 0.000 0.226 275 S C 2.264 176.655 174.600 -0.349 0.000 1.033 275 S CA 1.373 59.265 58.200 -0.512 0.000 1.011 275 S CB -0.756 62.069 63.200 -0.625 0.000 0.852 275 S HN 0.639 nan 8.310 nan 0.000 0.457 276 A N 0.315 122.998 122.820 -0.228 0.000 1.873 276 A HA 0.017 4.337 4.320 0.001 0.000 0.215 276 A C 1.919 179.419 177.584 -0.140 0.000 1.186 276 A CA 1.439 53.391 52.037 -0.142 0.000 0.616 276 A CB -1.109 17.852 19.000 -0.064 0.000 0.823 276 A HN 0.608 nan 8.150 nan 0.000 0.442 277 F N 1.446 121.231 119.950 -0.276 0.000 2.115 277 F HA -0.248 4.280 4.527 0.001 0.000 0.300 277 F C 1.835 177.452 175.800 -0.305 0.000 1.092 277 F CA 2.203 60.048 58.000 -0.258 0.000 1.245 277 F CB -0.146 38.643 39.000 -0.350 0.000 0.995 277 F HN 0.360 nan 8.300 nan 0.000 0.481 278 I N -2.574 117.804 120.570 -0.321 0.000 3.793 278 I HA 0.396 4.567 4.170 0.001 0.000 0.315 278 I C 1.350 177.321 176.117 -0.243 0.000 1.275 278 I CA 0.710 61.822 61.300 -0.313 0.000 1.214 278 I CB -0.525 37.241 38.000 -0.389 0.000 1.018 278 I HN 0.237 nan 8.210 nan 0.000 0.439 279 G N 2.490 111.154 108.800 -0.227 0.000 2.132 279 G HA2 -0.242 3.718 3.960 0.001 0.000 0.228 279 G HA3 -0.242 3.718 3.960 0.001 0.000 0.228 279 G C 0.282 175.095 174.900 -0.144 0.000 1.000 279 G CA -0.163 44.837 45.100 -0.168 0.000 0.693 279 G HN 0.552 nan 8.290 nan 0.000 0.515 280 R N 0.341 120.737 120.500 -0.174 0.000 2.881 280 R HA 0.182 4.522 4.340 0.001 0.000 0.331 280 R C -0.203 175.999 176.300 -0.163 0.000 1.207 280 R CA -0.770 55.242 56.100 -0.148 0.000 1.265 280 R CB 0.605 30.817 30.300 -0.147 0.000 1.351 280 R HN 0.321 nan 8.270 nan 0.000 0.613 281 E N 2.700 122.816 120.200 -0.140 0.000 3.102 281 E HA -0.155 4.195 4.350 0.001 0.000 0.235 281 E C -0.313 176.224 176.600 -0.105 0.000 0.995 281 E CA 1.288 57.613 56.400 -0.124 0.000 0.950 281 E CB 0.254 29.904 29.700 -0.082 0.000 0.905 281 E HN 0.350 nan 8.360 nan 0.000 0.553 282 Q N 2.343 122.062 119.800 -0.134 0.000 2.451 282 Q HA 0.618 4.958 4.340 0.001 0.000 0.281 282 Q C -0.462 175.551 176.000 0.021 0.000 1.099 282 Q CA -0.855 54.918 55.803 -0.049 0.000 0.806 282 Q CB 2.643 31.366 28.738 -0.025 0.000 1.419 282 Q HN 0.240 nan 8.270 nan 0.000 0.427 283 R N 0.251 120.803 120.500 0.086 0.000 2.744 283 R HA 0.718 5.059 4.340 0.001 0.000 0.279 283 R C -1.769 174.590 176.300 0.098 0.000 0.977 283 R CA -0.480 55.676 56.100 0.093 0.000 0.906 283 R CB 2.067 32.389 30.300 0.038 0.000 1.197 283 R HN 0.396 nan 8.270 nan 0.000 0.463 284 V N 2.307 122.261 119.914 0.066 0.000 2.686 284 V HA 0.648 4.769 4.120 0.001 0.000 0.306 284 V C -0.610 175.454 176.094 -0.051 0.000 1.065 284 V CA -0.967 61.316 62.300 -0.029 0.000 0.894 284 V CB 1.876 33.609 31.823 -0.150 0.000 1.004 284 V HN 0.948 nan 8.190 nan 0.000 0.424 285 A N 4.049 126.829 122.820 -0.067 0.000 2.331 285 A HA 0.650 4.971 4.320 0.001 0.000 0.283 285 A C 1.016 178.539 177.584 -0.101 0.000 1.142 285 A CA -0.418 51.581 52.037 -0.063 0.000 0.812 285 A CB 0.452 19.424 19.000 -0.047 0.000 1.074 285 A HN 0.928 nan 8.150 nan 0.000 0.497 286 L N 1.384 122.556 121.223 -0.085 0.000 2.081 286 L HA -0.212 4.128 4.340 0.001 0.000 0.212 286 L C 2.678 179.475 176.870 -0.121 0.000 1.080 286 L CA 1.879 56.653 54.840 -0.109 0.000 0.754 286 L CB -0.471 41.552 42.059 -0.060 0.000 0.893 286 L HN 0.958 nan 8.230 nan 0.000 0.433 287 E N 0.096 120.248 120.200 -0.081 0.000 2.265 287 E HA -0.220 4.131 4.350 0.001 0.000 0.196 287 E C 1.790 178.334 176.600 -0.094 0.000 0.996 287 E CA 1.770 58.129 56.400 -0.069 0.000 0.832 287 E CB -0.731 28.945 29.700 -0.040 0.000 0.756 287 E HN 0.587 nan 8.360 nan 0.000 0.491 288 T N -1.530 112.952 114.554 -0.119 0.000 3.113 288 T HA 0.106 4.456 4.350 0.001 0.000 0.263 288 T C 1.805 176.383 174.700 -0.202 0.000 1.143 288 T CA 0.397 62.417 62.100 -0.134 0.000 1.090 288 T CB -0.100 68.693 68.868 -0.126 0.000 0.922 288 T HN 0.173 nan 8.240 nan 0.000 0.521 289 L N -0.883 120.165 121.223 -0.291 0.000 2.600 289 L HA 0.475 4.815 4.340 0.001 0.000 0.213 289 L C 0.768 177.403 176.870 -0.391 0.000 1.045 289 L CA -0.232 54.276 54.840 -0.552 0.000 0.863 289 L CB 0.091 41.560 42.059 -0.982 0.000 1.189 289 L HN 0.162 nan 8.230 nan 0.000 0.484 290 L N 2.431 123.531 121.223 -0.205 0.000 2.456 290 L HA 0.167 4.508 4.340 0.001 0.000 0.272 290 L C -1.790 175.090 176.870 0.017 0.000 1.189 290 L CA -1.525 53.298 54.840 -0.028 0.000 0.846 290 L CB -0.049 42.000 42.059 -0.017 0.000 1.111 290 L HN -0.027 nan 8.230 nan 0.000 0.475 291 P HA 0.219 nan 4.420 nan 0.000 0.276 291 P C -0.832 176.481 177.300 0.022 0.000 1.244 291 P CA -0.626 62.498 63.100 0.040 0.000 0.801 291 P CB 0.866 32.594 31.700 0.047 0.000 1.006 292 A N 3.212 126.038 122.820 0.009 0.000 2.531 292 A HA 0.332 4.652 4.320 0.001 0.000 0.236 292 A C -1.657 175.931 177.584 0.007 0.000 1.062 292 A CA -0.662 51.380 52.037 0.008 0.000 0.760 292 A CB -1.409 17.589 19.000 -0.002 0.000 0.995 292 A HN 0.492 nan 8.150 nan 0.000 0.501 293 P HA 0.211 nan 4.420 nan 0.000 0.276 293 P C 0.137 177.406 177.300 -0.053 0.000 1.244 293 P CA -0.259 62.851 63.100 0.017 0.000 0.801 293 P CB 0.755 32.501 31.700 0.078 0.000 1.006 294 E N 0.018 120.134 120.200 -0.141 0.000 2.070 294 E HA -0.132 4.219 4.350 0.001 0.000 0.197 294 E C -0.073 176.185 176.600 -0.572 0.000 1.004 294 E CA 1.472 57.626 56.400 -0.410 0.000 0.805 294 E CB -0.324 29.037 29.700 -0.565 0.000 0.744 294 E HN 0.407 nan 8.360 nan 0.000 0.451 295 F N -0.787 119.209 119.950 0.078 0.000 2.402 295 F HA 0.430 4.958 4.527 0.001 0.000 0.355 295 F C 1.028 176.889 175.800 0.102 0.000 1.123 295 F CA -0.729 57.322 58.000 0.085 0.000 1.021 295 F CB 1.978 41.033 39.000 0.091 0.000 1.160 295 F HN -0.102 nan 8.300 nan 0.000 0.451 296 G N 2.808 111.758 108.800 0.250 0.000 2.743 296 G HA2 0.210 4.171 3.960 0.001 0.000 0.206 296 G HA3 0.210 4.171 3.960 0.001 0.000 0.206 296 G C 0.341 175.384 174.900 0.239 0.000 1.115 296 G CA -0.138 45.080 45.100 0.196 0.000 0.782 296 G HN 0.428 nan 8.290 nan 0.000 0.524 297 R N -0.578 120.068 120.500 0.242 0.000 2.651 297 R HA 0.714 5.055 4.340 0.001 0.000 0.278 297 R C -1.850 174.561 176.300 0.185 0.000 1.010 297 R CA -0.591 55.666 56.100 0.262 0.000 0.896 297 R CB 2.621 33.071 30.300 0.250 0.000 1.211 297 R HN 0.136 nan 8.270 nan 0.000 0.456 298 I N 0.908 121.559 120.570 0.135 0.000 2.841 298 I HA 0.328 4.498 4.170 0.001 0.000 0.298 298 I C -0.895 175.227 176.117 0.009 0.000 1.304 298 I CA -0.498 60.833 61.300 0.052 0.000 1.019 298 I CB 2.913 40.916 38.000 0.004 0.000 1.282 298 I HN 0.785 nan 8.210 nan 0.000 0.432 299 T N 4.374 118.926 114.554 -0.003 0.000 2.837 299 T HA 0.601 4.952 4.350 0.001 0.000 0.285 299 T C -0.756 173.924 174.700 -0.033 0.000 0.984 299 T CA -0.616 61.473 62.100 -0.017 0.000 1.049 299 T CB 1.645 70.507 68.868 -0.010 0.000 0.947 299 T HN 0.379 nan 8.240 nan 0.000 0.472 300 L N 2.850 124.049 121.223 -0.040 0.000 2.333 300 L HA 0.591 4.931 4.340 0.001 0.000 0.280 300 L C -0.905 175.979 176.870 0.023 0.000 1.004 300 L CA -0.673 54.140 54.840 -0.044 0.000 0.820 300 L CB 1.394 43.386 42.059 -0.111 0.000 1.247 300 L HN 0.970 nan 8.230 nan 0.000 0.416 301 H N 4.751 123.779 119.070 -0.069 0.000 2.511 301 H HA 0.772 5.329 4.556 0.000 0.000 0.328 301 H C 0.111 175.406 175.328 -0.054 0.000 1.044 301 H CA 0.308 56.324 56.048 -0.054 0.000 1.212 301 H CB 1.051 30.782 29.762 -0.051 0.000 1.428 301 H HN 1.032 nan 8.280 nan 0.000 0.483 302 G N 3.915 112.441 108.800 -0.457 0.000 2.660 302 G HA2 -0.176 3.784 3.960 0.001 0.000 0.247 302 G HA3 -0.176 3.784 3.960 0.001 0.000 0.247 302 G C -2.725 172.051 174.900 -0.207 0.000 1.328 302 G CA -0.727 44.136 45.100 -0.394 0.000 0.884 302 G HN 0.699 nan 8.290 nan 0.000 0.531 303 P HA 0.537 nan 4.420 nan 0.000 0.276 303 P C -0.294 176.927 177.300 -0.132 0.000 1.244 303 P CA -0.703 62.318 63.100 -0.132 0.000 0.801 303 P CB 0.860 32.494 31.700 -0.110 0.000 1.006 304 L N 3.064 124.212 121.223 -0.125 0.000 2.290 304 L HA 0.376 4.717 4.340 0.001 0.000 0.284 304 L C -0.162 176.643 176.870 -0.107 0.000 1.078 304 L CA 0.313 55.072 54.840 -0.135 0.000 0.815 304 L CB -0.304 41.667 42.059 -0.148 0.000 1.162 304 L HN 0.391 nan 8.230 nan 0.000 0.435 305 D N 1.780 122.116 120.400 -0.107 0.000 2.533 305 D HA 0.161 4.802 4.640 0.001 0.000 0.247 305 D C 0.347 176.596 176.300 -0.085 0.000 1.056 305 D CA -0.587 53.365 54.000 -0.081 0.000 1.054 305 D CB 0.778 41.534 40.800 -0.073 0.000 1.400 305 D HN 0.536 nan 8.370 nan 0.000 0.533 306 Q N -0.569 119.194 119.800 -0.062 0.000 2.061 306 Q HA -0.078 4.262 4.340 0.001 0.000 0.204 306 Q C -0.937 175.005 176.000 -0.096 0.000 0.984 306 Q CA 1.963 57.728 55.803 -0.063 0.000 0.846 306 Q CB -0.949 27.768 28.738 -0.034 0.000 0.902 306 Q HN 0.341 nan 8.270 nan 0.000 0.421 307 P HA -0.054 nan 4.420 nan 0.000 0.223 307 P C 0.799 178.023 177.300 -0.127 0.000 1.151 307 P CA 1.327 64.362 63.100 -0.108 0.000 0.787 307 P CB -0.050 31.597 31.700 -0.087 0.000 0.788 308 T N 0.021 114.496 114.554 -0.131 0.000 2.812 308 T HA -0.090 4.261 4.350 0.001 0.000 0.264 308 T C 1.638 176.213 174.700 -0.208 0.000 1.042 308 T CA 0.741 62.747 62.100 -0.156 0.000 1.140 308 T CB -0.850 67.927 68.868 -0.151 0.000 0.870 308 T HN 0.012 nan 8.240 nan 0.000 0.445 309 L N 1.764 122.860 121.223 -0.211 0.000 2.079 309 L HA -0.015 4.325 4.340 0.001 0.000 0.210 309 L C 2.299 179.011 176.870 -0.264 0.000 1.081 309 L CA 1.868 56.550 54.840 -0.263 0.000 0.752 309 L CB -0.552 41.389 42.059 -0.196 0.000 0.896 309 L HN 0.107 nan 8.230 nan 0.000 0.433 310 K N -0.593 119.667 120.400 -0.234 0.000 2.025 310 K HA -0.200 4.121 4.320 0.001 0.000 0.207 310 K C 2.252 178.683 176.600 -0.282 0.000 1.049 310 K CA 1.459 57.550 56.287 -0.327 0.000 0.933 310 K CB -0.122 32.189 32.500 -0.314 0.000 0.714 310 K HN 0.286 nan 8.250 nan 0.000 0.438 311 R N 0.433 120.820 120.500 -0.189 0.000 2.091 311 R HA -0.120 4.221 4.340 0.001 0.000 0.238 311 R C 2.406 178.633 176.300 -0.122 0.000 1.136 311 R CA 1.643 57.667 56.100 -0.126 0.000 0.959 311 R CB -0.331 29.898 30.300 -0.119 0.000 0.856 311 R HN 0.229 nan 8.270 nan 0.000 0.437 312 L N -0.461 120.644 121.223 -0.197 0.000 2.095 312 L HA -0.040 4.301 4.340 0.001 0.000 0.204 312 L C 2.584 179.408 176.870 -0.077 0.000 1.080 312 L CA 0.978 55.696 54.840 -0.204 0.000 0.759 312 L CB -0.387 41.378 42.059 -0.490 0.000 0.914 312 L HN 0.236 nan 8.230 nan 0.000 0.439 313 A N -0.824 121.907 122.820 -0.148 0.000 1.898 313 A HA -0.218 4.102 4.320 0.001 0.000 0.216 313 A C 2.006 179.740 177.584 0.251 0.000 1.181 313 A CA 1.412 53.391 52.037 -0.097 0.000 0.620 313 A CB -0.906 18.020 19.000 -0.124 0.000 0.819 313 A HN 0.490 nan 8.150 nan 0.000 0.442 314 H N -1.581 117.514 119.070 0.042 0.000 2.524 314 H HA -0.012 4.544 4.556 0.001 0.000 0.282 314 H C 1.934 177.297 175.328 0.058 0.000 1.016 314 H CA 0.626 56.702 56.048 0.046 0.000 1.270 314 H CB 0.124 29.881 29.762 -0.007 0.000 1.394 314 H HN 0.422 nan 8.280 nan 0.000 0.568 315 L N 0.641 121.952 121.223 0.147 0.000 2.083 315 L HA -0.131 4.210 4.340 0.001 0.000 0.209 315 L C 1.981 178.983 176.870 0.220 0.000 1.083 315 L CA 1.206 56.100 54.840 0.090 0.000 0.752 315 L CB -0.304 41.740 42.059 -0.025 0.000 0.899 315 L HN 0.024 nan 8.230 nan 0.000 0.433 316 V N -1.671 118.422 119.914 0.298 0.000 2.446 316 V HA -0.091 4.030 4.120 0.001 0.000 0.244 316 V C 0.118 176.500 176.094 0.480 0.000 1.039 316 V CA 1.053 63.593 62.300 0.401 0.000 1.045 316 V CB -0.421 31.697 31.823 0.490 0.000 0.681 316 V HN 0.480 nan 8.190 nan 0.000 0.459 317 Y N 0.609 121.103 120.300 0.323 0.000 2.264 317 Y HA 0.449 4.999 4.550 0.001 0.000 0.321 317 Y C -1.565 174.453 175.900 0.197 0.000 1.199 317 Y CA -1.896 56.363 58.100 0.265 0.000 1.175 317 Y CB 1.032 39.673 38.460 0.301 0.000 1.213 317 Y HN 0.132 nan 8.280 nan 0.000 0.414 318 D N 5.083 125.198 120.400 -0.476 0.000 2.427 318 D HA 0.146 4.786 4.640 0.001 0.000 0.226 318 D C 0.749 176.521 176.300 -0.879 0.000 1.076 318 D CA 0.032 53.562 54.000 -0.783 0.000 0.849 318 D CB 2.022 42.488 40.800 -0.558 0.000 1.052 318 D HN 0.516 nan 8.370 nan 0.000 0.515 319 V N 5.418 124.764 119.914 -0.947 0.000 2.660 319 V HA -0.241 3.880 4.120 0.001 0.000 0.257 319 V C 2.100 178.041 176.094 -0.255 0.000 1.088 319 V CA 1.846 63.775 62.300 -0.619 0.000 1.106 319 V CB -0.292 31.249 31.823 -0.470 0.000 0.686 319 V HN 0.521 nan 8.190 nan 0.000 0.481 320 R N 0.109 120.455 120.500 -0.256 0.000 2.189 320 R HA -0.153 4.188 4.340 0.001 0.000 0.223 320 R C 2.224 178.489 176.300 -0.057 0.000 1.092 320 R CA 1.413 57.442 56.100 -0.118 0.000 0.989 320 R CB -0.344 29.885 30.300 -0.120 0.000 0.876 320 R HN 0.689 nan 8.270 nan 0.000 0.457 321 R N 0.576 121.033 120.500 -0.072 0.000 2.241 321 R HA -0.068 4.273 4.340 0.001 0.000 0.224 321 R C 0.639 176.993 176.300 0.091 0.000 1.101 321 R CA 1.701 57.810 56.100 0.015 0.000 0.995 321 R CB -0.124 30.193 30.300 0.028 0.000 0.870 321 R HN 0.126 nan 8.270 nan 0.000 0.463 322 D N 0.115 120.603 120.400 0.147 0.000 2.380 322 D HA -0.080 4.561 4.640 0.001 0.000 0.212 322 D C 0.955 177.345 176.300 0.150 0.000 1.021 322 D CA 0.629 54.757 54.000 0.214 0.000 0.884 322 D CB -0.256 40.768 40.800 0.373 0.000 1.001 322 D HN 0.309 nan 8.370 nan 0.000 0.506 323 D N 1.424 121.894 120.400 0.117 0.000 2.097 323 D HA -0.116 4.525 4.640 0.001 0.000 0.197 323 D C 1.939 178.284 176.300 0.076 0.000 0.984 323 D CA 1.081 55.146 54.000 0.108 0.000 0.826 323 D CB 0.427 41.275 40.800 0.079 0.000 0.973 323 D HN 0.027 nan 8.370 nan 0.000 0.460 324 A N 1.691 124.542 122.820 0.052 0.000 1.851 324 A HA -0.119 4.202 4.320 0.001 0.000 0.216 324 A C -0.227 177.379 177.584 0.038 0.000 1.195 324 A CA 2.039 54.099 52.037 0.038 0.000 0.622 324 A CB -1.738 17.277 19.000 0.024 0.000 0.831 324 A HN 0.325 nan 8.150 nan 0.000 0.444 325 P HA -0.123 nan 4.420 nan 0.000 0.218 325 P C 1.598 178.912 177.300 0.023 0.000 1.149 325 P CA 0.846 63.964 63.100 0.031 0.000 0.817 325 P CB -0.157 31.565 31.700 0.037 0.000 0.785 326 L N 0.245 121.487 121.223 0.031 0.000 2.056 326 L HA -0.064 4.277 4.340 0.001 0.000 0.207 326 L C 2.491 179.368 176.870 0.011 0.000 1.078 326 L CA 1.752 56.599 54.840 0.012 0.000 0.749 326 L CB -1.071 41.007 42.059 0.033 0.000 0.901 326 L HN -0.226 nan 8.230 nan 0.000 0.433 327 R N -0.447 120.070 120.500 0.028 0.000 2.105 327 R HA -0.202 4.139 4.340 0.001 0.000 0.239 327 R C 2.366 178.672 176.300 0.010 0.000 1.135 327 R CA 1.648 57.761 56.100 0.021 0.000 0.967 327 R CB -0.381 29.940 30.300 0.035 0.000 0.861 327 R HN 0.378 nan 8.270 nan 0.000 0.442 328 K N 0.858 121.266 120.400 0.013 0.000 2.057 328 K HA -0.094 4.227 4.320 0.001 0.000 0.206 328 K C 1.632 178.235 176.600 0.005 0.000 1.050 328 K CA 1.624 57.917 56.287 0.010 0.000 0.935 328 K CB 0.270 32.777 32.500 0.012 0.000 0.715 328 K HN 0.223 nan 8.250 nan 0.000 0.439 329 V N -3.503 116.413 119.914 0.004 0.000 3.427 329 V HA 0.359 4.480 4.120 0.001 0.000 0.305 329 V C 1.544 177.639 176.094 0.001 0.000 1.412 329 V CA 0.522 62.825 62.300 0.004 0.000 1.086 329 V CB 0.254 32.083 31.823 0.010 0.000 0.964 329 V HN 0.159 nan 8.190 nan 0.000 0.439 330 A N 1.915 124.728 122.820 -0.012 0.000 1.948 330 A HA -0.054 4.267 4.320 0.001 0.000 0.220 330 A C 2.208 179.766 177.584 -0.042 0.000 1.177 330 A CA 2.237 54.253 52.037 -0.036 0.000 0.636 330 A CB -1.218 17.738 19.000 -0.074 0.000 0.815 330 A HN 0.883 nan 8.150 nan 0.000 0.449 331 G N -0.973 107.808 108.800 -0.031 0.000 2.679 331 G HA2 0.249 4.209 3.960 0.001 0.000 0.212 331 G HA3 0.249 4.209 3.960 0.001 0.000 0.212 331 G C 0.514 175.401 174.900 -0.022 0.000 1.137 331 G CA 0.268 45.349 45.100 -0.031 0.000 0.787 331 G HN 0.483 nan 8.290 nan 0.000 0.534 332 I N 1.604 122.168 120.570 -0.010 0.000 2.312 332 I HA 0.260 4.430 4.170 0.001 0.000 0.290 332 I C -2.339 173.781 176.117 0.005 0.000 1.008 332 I CA -2.361 58.937 61.300 -0.002 0.000 1.226 332 I CB 1.970 39.972 38.000 0.003 0.000 1.371 332 I HN -0.194 nan 8.210 nan 0.000 0.468 333 P HA 0.094 nan 4.420 nan 0.000 0.264 333 P C 0.944 178.254 177.300 0.016 0.000 1.193 333 P CA 0.660 63.760 63.100 -0.000 0.000 0.763 333 P CB 0.754 32.449 31.700 -0.008 0.000 0.810 334 G N 2.813 111.632 108.800 0.033 0.000 2.284 334 G HA2 -0.259 3.701 3.960 0.001 0.000 0.230 334 G HA3 -0.259 3.701 3.960 0.001 0.000 0.230 334 G C 1.195 176.135 174.900 0.066 0.000 1.021 334 G CA -0.097 45.030 45.100 0.045 0.000 0.619 334 G HN 0.462 nan 8.290 nan 0.000 0.510 335 E N 0.002 120.241 120.200 0.065 0.000 2.106 335 E HA 0.036 4.387 4.350 0.001 0.000 0.192 335 E C 1.952 178.602 176.600 0.083 0.000 0.984 335 E CA 1.112 57.547 56.400 0.059 0.000 0.806 335 E CB -0.358 29.366 29.700 0.040 0.000 0.750 335 E HN 0.643 nan 8.360 nan 0.000 0.458 336 F N 2.593 122.520 119.950 -0.037 0.000 2.065 336 F HA -0.236 4.292 4.527 0.001 0.000 0.298 336 F C 1.736 177.524 175.800 -0.020 0.000 1.112 336 F CA 1.850 59.823 58.000 -0.044 0.000 1.212 336 F CB 0.084 39.037 39.000 -0.078 0.000 0.975 336 F HN -0.075 nan 8.300 nan 0.000 0.476 337 D N 0.173 120.743 120.400 0.283 0.000 2.219 337 D HA -0.134 4.506 4.640 0.001 0.000 0.205 337 D C 2.082 178.411 176.300 0.049 0.000 0.970 337 D CA 1.018 55.109 54.000 0.152 0.000 0.851 337 D CB -0.256 40.637 40.800 0.155 0.000 0.943 337 D HN 0.385 nan 8.370 nan 0.000 0.488 338 K N 0.349 120.775 120.400 0.043 0.000 2.097 338 K HA -0.022 4.299 4.320 0.001 0.000 0.206 338 K C 2.255 178.866 176.600 0.018 0.000 1.049 338 K CA 0.434 56.738 56.287 0.029 0.000 0.933 338 K CB -0.019 32.498 32.500 0.028 0.000 0.717 338 K HN 0.111 nan 8.250 nan 0.000 0.442 339 L N 0.476 121.681 121.223 -0.029 0.000 2.083 339 L HA -0.205 4.135 4.340 0.001 0.000 0.209 339 L C 2.367 179.253 176.870 0.026 0.000 1.083 339 L CA 1.374 56.201 54.840 -0.022 0.000 0.752 339 L CB -0.356 41.636 42.059 -0.113 0.000 0.899 339 L HN 0.167 nan 8.230 nan 0.000 0.433 340 R N 0.011 120.471 120.500 -0.067 0.000 2.073 340 R HA -0.154 4.187 4.340 0.001 0.000 0.229 340 R C 2.306 178.735 176.300 0.214 0.000 1.120 340 R CA 1.106 57.201 56.100 -0.008 0.000 0.967 340 R CB -0.255 29.977 30.300 -0.113 0.000 0.862 340 R HN 0.273 nan 8.270 nan 0.000 0.436 341 K N 0.876 121.348 120.400 0.121 0.000 2.057 341 K HA -0.080 4.241 4.320 0.001 0.000 0.207 341 K C 0.810 177.476 176.600 0.110 0.000 1.049 341 K CA 1.344 57.691 56.287 0.101 0.000 0.931 341 K CB 0.143 32.676 32.500 0.056 0.000 0.714 341 K HN 0.100 nan 8.250 nan 0.000 0.440 342 N N 0.396 119.163 118.700 0.112 0.000 2.279 342 N HA -0.050 4.691 4.740 0.001 0.000 0.226 342 N C -0.820 174.768 175.510 0.129 0.000 1.126 342 N CA -0.142 52.962 53.050 0.090 0.000 0.846 342 N CB 0.084 38.601 38.487 0.050 0.000 1.050 342 N HN 0.164 nan 8.380 nan 0.000 0.502 343 Y N 1.910 122.253 120.300 0.072 0.000 2.805 343 Y HA -0.049 4.501 4.550 0.001 0.000 0.331 343 Y C 0.554 176.499 175.900 0.075 0.000 1.241 343 Y CA 0.161 58.321 58.100 0.100 0.000 1.546 343 Y CB 0.257 38.858 38.460 0.234 0.000 1.248 343 Y HN 0.029 nan 8.280 nan 0.000 0.559 344 L N 5.840 126.779 121.223 -0.472 0.000 2.417 344 L HA 0.099 4.440 4.340 0.001 0.000 0.268 344 L C 0.590 177.261 176.870 -0.332 0.000 1.158 344 L CA -0.473 54.177 54.840 -0.317 0.000 0.819 344 L CB 0.573 42.489 42.059 -0.237 0.000 1.112 344 L HN 0.651 nan 8.230 nan 0.000 0.458 345 E N 4.046 124.176 120.200 -0.117 0.000 2.966 345 E HA -0.135 4.216 4.350 0.001 0.000 0.254 345 E C -0.401 176.188 176.600 -0.020 0.000 0.923 345 E CA 0.357 56.739 56.400 -0.031 0.000 0.960 345 E CB 0.467 30.162 29.700 -0.009 0.000 0.901 345 E HN 0.424 nan 8.360 nan 0.000 0.525 346 R N 3.989 124.522 120.500 0.055 0.000 2.621 346 R HA 0.350 4.691 4.340 0.001 0.000 0.292 346 R C -0.822 175.526 176.300 0.079 0.000 0.969 346 R CA -0.890 55.260 56.100 0.083 0.000 0.887 346 R CB 0.930 31.278 30.300 0.079 0.000 1.180 346 R HN 0.484 nan 8.270 nan 0.000 0.450 347 R N 2.070 122.633 120.500 0.105 0.000 2.782 347 R HA 0.352 4.693 4.340 0.001 0.000 0.258 347 R C -0.392 175.962 176.300 0.091 0.000 1.055 347 R CA -0.764 55.395 56.100 0.099 0.000 1.065 347 R CB 0.841 31.218 30.300 0.129 0.000 1.172 347 R HN 0.689 nan 8.270 nan 0.000 0.510 348 E N 0.178 120.411 120.200 0.054 0.000 2.283 348 E HA 0.118 4.468 4.350 0.001 0.000 0.267 348 E C 0.396 177.060 176.600 0.105 0.000 1.045 348 E CA -0.540 55.852 56.400 -0.014 0.000 0.884 348 E CB 0.671 30.322 29.700 -0.081 0.000 1.106 348 E HN 0.399 nan 8.360 nan 0.000 0.408 349 W N 0.848 122.031 121.300 -0.195 0.000 2.341 349 W HA -0.180 4.481 4.660 0.001 0.000 0.283 349 W C 2.275 178.658 176.519 -0.227 0.000 1.215 349 W CA 1.335 58.417 57.345 -0.439 0.000 1.211 349 W CB -1.361 27.360 29.460 -1.231 0.000 1.131 349 W HN 0.537 nan 8.180 nan 0.000 0.552 350 S N 0.048 115.800 115.700 0.087 0.000 2.447 350 S HA -0.157 4.314 4.470 0.001 0.000 0.233 350 S C 1.855 176.547 174.600 0.153 0.000 1.006 350 S CA 1.280 59.548 58.200 0.115 0.000 0.957 350 S CB -0.901 62.338 63.200 0.066 0.000 0.773 350 S HN 0.220 nan 8.310 nan 0.000 0.507 351 S N 0.396 116.187 115.700 0.151 0.000 2.555 351 S HA 0.153 4.624 4.470 0.001 0.000 0.230 351 S C 0.335 175.062 174.600 0.212 0.000 0.978 351 S CA -0.219 58.075 58.200 0.157 0.000 0.934 351 S CB -0.591 62.695 63.200 0.143 0.000 0.766 351 S HN 0.480 nan 8.310 nan 0.000 0.533 352 L N 1.789 123.173 121.223 0.267 0.000 2.280 352 L HA 0.527 4.867 4.340 0.001 0.000 0.287 352 L C -1.011 176.058 176.870 0.332 0.000 1.023 352 L CA -1.208 53.819 54.840 0.312 0.000 0.819 352 L CB 1.108 43.380 42.059 0.354 0.000 1.212 352 L HN 0.303 nan 8.230 nan 0.000 0.420 353 Y N 5.426 125.821 120.300 0.158 0.000 2.383 353 Y HA 0.607 5.157 4.550 0.001 0.000 0.344 353 Y C -0.574 175.386 175.900 0.100 0.000 0.986 353 Y CA -0.207 57.968 58.100 0.125 0.000 1.175 353 Y CB 0.779 39.297 38.460 0.097 0.000 1.152 353 Y HN 0.472 nan 8.280 nan 0.000 0.511 357 D N -0.088 120.387 120.400 0.125 0.000 2.349 357 D HA 0.008 4.648 4.640 0.001 0.000 0.215 357 D C 0.138 176.596 176.300 0.263 0.000 1.016 357 D CA 0.732 54.835 54.000 0.171 0.000 0.870 357 D CB 0.202 41.081 40.800 0.131 0.000 0.917 357 D HN 0.658 nan 8.370 nan 0.000 0.524 358 D N 0.600 121.084 120.400 0.140 0.000 2.308 358 D HA 0.068 4.709 4.640 0.001 0.000 0.242 358 D C 0.594 176.781 176.300 -0.188 0.000 1.059 358 D CA -0.373 53.616 54.000 -0.019 0.000 0.830 358 D CB 2.142 42.898 40.800 -0.075 0.000 1.161 358 D HN -0.023 nan 8.370 nan 0.000 0.494 359 E N 1.823 121.713 120.200 -0.517 0.000 2.110 359 E HA -0.186 4.165 4.350 0.001 0.000 0.193 359 E C 1.615 178.051 176.600 -0.273 0.000 0.988 359 E CA 2.007 58.005 56.400 -0.669 0.000 0.804 359 E CB 0.193 29.493 29.700 -0.666 0.000 0.745 359 E HN 0.619 nan 8.360 nan 0.000 0.458 360 T N -1.734 112.706 114.554 -0.189 0.000 2.821 360 T HA 0.025 4.375 4.350 0.001 0.000 0.267 360 T C 1.985 176.623 174.700 -0.105 0.000 1.046 360 T CA 0.918 62.946 62.100 -0.120 0.000 1.139 360 T CB -0.353 68.457 68.868 -0.096 0.000 0.871 360 T HN 0.217 nan 8.240 nan 0.000 0.454 361 A N 2.093 124.844 122.820 -0.114 0.000 1.877 361 A HA 0.334 4.654 4.320 0.001 0.000 0.216 361 A C 2.851 180.371 177.584 -0.106 0.000 1.186 361 A CA 1.875 53.842 52.037 -0.115 0.000 0.620 361 A CB -1.477 17.449 19.000 -0.125 0.000 0.822 361 A HN 0.713 nan 8.150 nan 0.000 0.443 362 A N 0.001 122.770 122.820 -0.085 0.000 1.865 362 A HA 0.082 4.402 4.320 0.001 0.000 0.217 362 A C 2.549 180.111 177.584 -0.038 0.000 1.191 362 A CA 2.497 54.502 52.037 -0.053 0.000 0.623 362 A CB -1.201 17.801 19.000 0.003 0.000 0.826 362 A HN 1.150 nan 8.150 nan 0.000 0.444 363 A N -0.842 121.951 122.820 -0.045 0.000 1.933 363 A HA -0.040 4.281 4.320 0.001 0.000 0.218 363 A C 2.154 179.731 177.584 -0.011 0.000 1.175 363 A CA 1.841 53.864 52.037 -0.023 0.000 0.628 363 A CB -0.580 18.398 19.000 -0.036 0.000 0.814 363 A HN 0.726 nan 8.150 nan 0.000 0.444 364 L N -0.332 120.873 121.223 -0.030 0.000 2.072 364 L HA -0.020 4.320 4.340 0.001 0.000 0.205 364 L C 2.255 179.127 176.870 0.005 0.000 1.079 364 L CA 1.525 56.355 54.840 -0.017 0.000 0.752 364 L CB -0.601 41.434 42.059 -0.040 0.000 0.906 364 L HN 0.388 nan 8.230 nan 0.000 0.436 365 L N -1.442 119.762 121.223 -0.032 0.000 2.042 365 L HA -0.321 4.020 4.340 0.001 0.000 0.210 365 L C 2.677 179.653 176.870 0.176 0.000 1.076 365 L CA 1.535 56.379 54.840 0.005 0.000 0.749 365 L CB -0.851 41.099 42.059 -0.181 0.000 0.893 365 L HN 0.400 nan 8.230 nan 0.000 0.432 366 C N 0.198 119.561 119.300 0.105 0.000 2.393 366 C HA -0.226 4.235 4.460 0.001 0.000 0.276 366 C C 2.779 177.839 174.990 0.116 0.000 1.215 366 C CA 1.120 60.208 59.018 0.116 0.000 1.743 366 C CB -0.750 27.032 27.740 0.070 0.000 2.044 366 C HN 0.439 nan 8.230 nan 0.000 0.464 367 K N 0.231 120.684 120.400 0.088 0.000 2.211 367 K HA -0.107 4.213 4.320 0.001 0.000 0.204 367 K C 1.511 178.176 176.600 0.109 0.000 1.047 367 K CA 1.114 57.449 56.287 0.081 0.000 0.935 367 K CB -0.217 32.320 32.500 0.061 0.000 0.728 367 K HN 0.551 nan 8.250 nan 0.000 0.452 368 L N -1.014 120.304 121.223 0.159 0.000 2.509 368 L HA 0.090 4.430 4.340 0.001 0.000 0.222 368 L C 1.270 178.305 176.870 0.275 0.000 1.123 368 L CA 0.475 55.447 54.840 0.220 0.000 0.856 368 L CB 0.196 42.417 42.059 0.270 0.000 0.985 368 L HN 0.451 nan 8.230 nan 0.000 0.456 369 G N -0.804 108.128 108.800 0.220 0.000 2.184 369 G HA2 -0.241 3.720 3.960 0.001 0.000 0.206 369 G HA3 -0.241 3.720 3.960 0.001 0.000 0.206 369 G C 0.120 175.091 174.900 0.118 0.000 0.995 369 G CA -0.644 44.533 45.100 0.129 0.000 0.651 369 G HN 0.115 nan 8.290 nan 0.000 0.511 370 F N 0.795 120.875 119.950 0.216 0.000 2.410 370 F HA 0.505 5.033 4.527 0.001 0.000 0.334 370 F C 1.002 176.862 175.800 0.099 0.000 1.134 370 F CA -0.597 57.494 58.000 0.152 0.000 1.227 370 F CB 0.640 39.656 39.000 0.027 0.000 1.194 370 F HN -0.007 nan 8.300 nan 0.000 0.571 371 N N 2.021 120.898 118.700 0.296 0.000 3.050 371 N HA 0.279 5.019 4.740 0.001 0.000 0.289 371 N C -1.005 174.553 175.510 0.081 0.000 1.209 371 N CA -0.067 53.112 53.050 0.215 0.000 1.154 371 N CB -0.298 38.366 38.487 0.294 0.000 1.444 371 N HN 0.620 nan 8.380 nan 0.000 0.529 372 A N 1.419 124.271 122.820 0.053 0.000 2.305 372 A HA 0.664 4.984 4.320 0.001 0.000 0.322 372 A C -0.151 177.386 177.584 -0.079 0.000 1.187 372 A CA -0.622 51.371 52.037 -0.074 0.000 0.825 372 A CB 0.925 19.895 19.000 -0.050 0.000 1.164 372 A HN 0.369 nan 8.150 nan 0.000 0.498 373 V N 0.099 119.918 119.914 -0.157 0.000 3.040 373 V HA 0.552 4.673 4.120 0.001 0.000 0.312 373 V C -0.300 175.806 176.094 0.020 0.000 1.115 373 V CA -0.783 61.484 62.300 -0.054 0.000 0.998 373 V CB 1.715 33.505 31.823 -0.056 0.000 1.042 373 V HN 0.986 nan 8.190 nan 0.000 0.433 374 H N 2.281 121.333 119.070 -0.031 0.000 2.640 374 H HA 0.474 5.030 4.556 0.000 0.000 0.297 374 H C -0.739 174.617 175.328 0.047 0.000 1.073 374 H CA -0.188 55.861 56.048 0.001 0.000 1.305 374 H CB 0.621 30.383 29.762 0.000 0.000 1.404 374 H HN 1.028 nan 8.280 nan 0.000 0.459 375 H N 0.000 118.895 119.070 -0.291 0.000 2.539 375 H HA 0.000 4.556 4.556 0.000 0.000 0.296 375 H CA 0.000 55.870 56.048 -0.297 0.000 1.023 375 H CB 0.000 29.690 29.762 -0.120 0.000 1.292 375 H HN 0.000 nan 8.280 nan 0.000 0.496