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 2vzy_1_D DATA FIRST_RESID 2 DATA SEQUENCE SRHWPLFDLR ITTPRLQLQL PTEELCDQLI DTILEXXXXX XXXXXXXXXX DATA SEQUENCE XXXXEDLPFN TLSHLWQQLA GFKRDDWSLP LAVLVDGRAV GVQALSSKDF DATA SEQUENCE PITRQVDSGS WLGLRYQGHG YGTEMRAAVL YFAFAELEAQ VATSRSFVDN DATA SEQUENCE PASIAVSRRN GYRDNGLDRV AREGAMAEAL LFRLTRDDWQ RHRTVEVRVD DATA SEQUENCE GFDRCRPLFG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.407 174.600 -0.321 0.000 1.055 2 S CA 0.000 57.805 58.200 -0.658 0.000 1.107 2 S CB 0.000 62.992 63.200 -0.347 0.000 0.593 3 R N 2.709 123.090 120.500 -0.200 0.000 2.323 3 R HA 0.175 4.515 4.340 -0.000 0.000 0.198 3 R C 0.093 176.222 176.300 -0.286 0.000 0.988 3 R CA 0.640 56.599 56.100 -0.236 0.000 1.041 3 R CB -0.370 29.750 30.300 -0.299 0.000 0.926 3 R HN 0.624 nan 8.270 nan 0.000 0.476 4 H N -0.517 118.599 119.070 0.076 0.000 2.492 4 H HA 0.159 4.715 4.556 0.000 0.000 0.264 4 H C -1.236 174.275 175.328 0.305 0.000 1.150 4 H CA -0.236 55.891 56.048 0.131 0.000 0.962 4 H CB 0.175 29.982 29.762 0.075 0.000 1.766 4 H HN 0.315 nan 8.280 nan 0.000 0.589 5 W N 2.031 123.427 121.300 0.160 0.000 3.268 5 W HA 0.197 4.857 4.660 0.000 0.000 0.330 5 W C -2.854 173.734 176.519 0.115 0.000 1.074 5 W CA -1.908 55.526 57.345 0.148 0.000 1.263 5 W CB 1.970 31.588 29.460 0.264 0.000 1.250 5 W HN -0.096 nan 8.180 nan 0.000 0.425 6 P HA -0.162 nan 4.420 nan 0.000 0.222 6 P C 1.712 178.737 177.300 -0.458 0.000 1.147 6 P CA 1.285 64.184 63.100 -0.335 0.000 0.790 6 P CB 0.341 31.816 31.700 -0.375 0.000 0.780 7 L N -2.511 118.165 121.223 -0.911 0.000 2.265 7 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 7 L C 1.932 178.524 176.870 -0.464 0.000 1.117 7 L CA 1.092 55.477 54.840 -0.760 0.000 0.782 7 L CB -0.660 40.765 42.059 -1.057 0.000 0.914 7 L HN -0.046 nan 8.230 nan 0.000 0.441 8 F N -0.172 119.645 119.950 -0.223 0.000 2.546 8 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 8 F C 1.766 177.511 175.800 -0.093 0.000 1.120 8 F CA 0.700 58.651 58.000 -0.081 0.000 1.456 8 F CB -0.034 38.969 39.000 0.006 0.000 1.088 8 F HN 0.143 nan 8.300 nan 0.000 0.572 9 D N -0.120 120.290 120.400 0.018 0.000 2.360 9 D HA 0.060 4.700 4.640 -0.000 0.000 0.210 9 D C 0.599 176.877 176.300 -0.037 0.000 1.047 9 D CA 0.095 54.091 54.000 -0.007 0.000 0.854 9 D CB 0.019 40.804 40.800 -0.025 0.000 0.936 9 D HN 0.092 nan 8.370 nan 0.000 0.514 10 L N 1.902 123.078 121.223 -0.078 0.000 2.490 10 L HA 0.127 4.467 4.340 -0.000 0.000 0.274 10 L C -0.200 176.617 176.870 -0.088 0.000 1.201 10 L CA 0.475 55.269 54.840 -0.077 0.000 0.869 10 L CB 0.266 42.239 42.059 -0.144 0.000 1.123 10 L HN -0.249 nan 8.230 nan 0.000 0.484 11 R N 6.362 126.824 120.500 -0.064 0.000 2.575 11 R HA 0.547 4.887 4.340 -0.000 0.000 0.293 11 R C -1.281 174.975 176.300 -0.074 0.000 0.983 11 R CA -0.550 55.507 56.100 -0.071 0.000 0.887 11 R CB 1.494 31.770 30.300 -0.039 0.000 1.184 11 R HN 0.686 nan 8.270 nan 0.000 0.445 12 I N 1.984 122.490 120.570 -0.105 0.000 2.389 12 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 12 I C 0.261 176.331 176.117 -0.079 0.000 0.999 12 I CA -0.622 60.629 61.300 -0.081 0.000 1.129 12 I CB 2.229 40.166 38.000 -0.105 0.000 1.288 12 I HN 0.548 nan 8.210 nan 0.000 0.444 13 T N 1.080 115.589 114.554 -0.075 0.000 2.861 13 T HA 0.731 5.081 4.350 -0.000 0.000 0.287 13 T C -0.193 174.456 174.700 -0.085 0.000 1.003 13 T CA -0.666 61.388 62.100 -0.076 0.000 0.977 13 T CB 1.935 70.765 68.868 -0.064 0.000 0.996 13 T HN 0.654 nan 8.240 nan 0.000 0.448 14 T N -0.444 114.069 114.554 -0.067 0.000 2.841 14 T HA 0.635 4.985 4.350 -0.000 0.000 0.276 14 T C -1.899 172.779 174.700 -0.037 0.000 1.003 14 T CA -1.962 60.106 62.100 -0.053 0.000 0.995 14 T CB 0.750 69.603 68.868 -0.025 0.000 1.260 14 T HN 0.281 nan 8.240 nan 0.000 0.581 15 P HA 0.021 nan 4.420 nan 0.000 0.216 15 P C 1.135 178.437 177.300 0.004 0.000 1.150 15 P CA 1.145 64.242 63.100 -0.005 0.000 0.843 15 P CB 0.114 31.820 31.700 0.011 0.000 0.787 16 R N -2.395 118.113 120.500 0.013 0.000 2.419 16 R HA 0.322 4.662 4.340 -0.000 0.000 0.235 16 R C 0.378 176.642 176.300 -0.060 0.000 0.899 16 R CA -0.026 56.083 56.100 0.015 0.000 1.048 16 R CB 0.465 30.834 30.300 0.114 0.000 1.182 16 R HN 0.187 nan 8.270 nan 0.000 0.544 17 L N 0.499 121.678 121.223 -0.073 0.000 2.341 17 L HA 0.481 4.821 4.340 -0.000 0.000 0.267 17 L C -0.735 176.068 176.870 -0.112 0.000 1.009 17 L CA -0.933 53.829 54.840 -0.131 0.000 0.819 17 L CB 2.177 44.158 42.059 -0.130 0.000 1.323 17 L HN -0.099 nan 8.230 nan 0.000 0.425 18 Q N 1.808 121.528 119.800 -0.132 0.000 2.340 18 Q HA 0.623 4.963 4.340 -0.000 0.000 0.268 18 Q C -1.893 174.029 176.000 -0.130 0.000 1.031 18 Q CA -0.730 55.005 55.803 -0.113 0.000 0.804 18 Q CB 2.098 30.778 28.738 -0.096 0.000 1.286 18 Q HN 0.437 nan 8.270 nan 0.000 0.448 19 L N 3.980 125.129 121.223 -0.124 0.000 2.329 19 L HA 0.547 4.887 4.340 -0.000 0.000 0.279 19 L C -0.638 176.150 176.870 -0.136 0.000 1.014 19 L CA -0.054 54.702 54.840 -0.140 0.000 0.814 19 L CB 1.841 43.811 42.059 -0.149 0.000 1.257 19 L HN 0.740 nan 8.230 nan 0.000 0.424 20 Q N 1.798 121.522 119.800 -0.126 0.000 2.575 20 Q HA 0.527 4.867 4.340 -0.000 0.000 0.290 20 Q C -1.440 174.504 176.000 -0.094 0.000 0.963 20 Q CA -1.153 54.585 55.803 -0.108 0.000 0.783 20 Q CB 1.672 30.378 28.738 -0.054 0.000 1.467 20 Q HN 0.278 nan 8.270 nan 0.000 0.402 21 L N 2.488 123.646 121.223 -0.108 0.000 2.490 21 L HA 0.265 4.605 4.340 -0.000 0.000 0.274 21 L C -2.254 174.654 176.870 0.063 0.000 1.201 21 L CA -0.917 53.848 54.840 -0.125 0.000 0.869 21 L CB 0.200 42.005 42.059 -0.423 0.000 1.123 21 L HN 0.534 nan 8.230 nan 0.000 0.484 22 P HA 0.169 nan 4.420 nan 0.000 0.276 22 P C -0.619 176.882 177.300 0.334 0.000 1.264 22 P CA -0.425 62.767 63.100 0.154 0.000 0.769 22 P CB 0.268 32.022 31.700 0.091 0.000 0.840 23 T N -0.649 114.064 114.554 0.266 0.000 2.732 23 T HA 0.087 4.437 4.350 -0.000 0.000 0.287 23 T C 1.281 176.055 174.700 0.123 0.000 0.993 23 T CA -0.410 61.795 62.100 0.174 0.000 0.966 23 T CB 0.678 69.577 68.868 0.052 0.000 1.047 23 T HN 0.449 nan 8.240 nan 0.000 0.527 24 E N 0.098 120.348 120.200 0.083 0.000 2.038 24 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 24 E C 1.980 178.618 176.600 0.064 0.000 1.000 24 E CA 1.725 58.182 56.400 0.095 0.000 0.803 24 E CB -0.194 29.558 29.700 0.086 0.000 0.750 24 E HN 0.784 nan 8.360 nan 0.000 0.448 25 E N 0.679 120.905 120.200 0.043 0.000 2.051 25 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 25 E C 2.160 178.779 176.600 0.031 0.000 0.991 25 E CA 1.401 57.820 56.400 0.032 0.000 0.799 25 E CB -0.391 29.320 29.700 0.018 0.000 0.748 25 E HN 0.402 nan 8.360 nan 0.000 0.449 26 L N -0.300 120.944 121.223 0.034 0.000 2.046 26 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 26 L C 2.674 179.565 176.870 0.035 0.000 1.077 26 L CA 1.201 56.056 54.840 0.026 0.000 0.747 26 L CB -0.589 41.485 42.059 0.024 0.000 0.896 26 L HN 0.314 nan 8.230 nan 0.000 0.432 27 C N 0.015 119.342 119.300 0.045 0.000 2.413 27 C HA -0.184 4.276 4.460 -0.000 0.000 0.276 27 C C 2.454 177.457 174.990 0.022 0.000 1.248 27 C CA 0.799 59.833 59.018 0.026 0.000 1.742 27 C CB -0.811 26.919 27.740 -0.017 0.000 2.017 27 C HN 0.557 nan 8.230 nan 0.000 0.481 28 D N 0.079 120.493 120.400 0.023 0.000 2.144 28 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 28 D C 2.303 178.628 176.300 0.041 0.000 0.978 28 D CA 1.058 55.074 54.000 0.026 0.000 0.833 28 D CB -0.561 40.257 40.800 0.031 0.000 0.961 28 D HN 0.610 nan 8.370 nan 0.000 0.470 29 Q N 0.025 119.850 119.800 0.041 0.000 2.124 29 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 29 Q C 2.445 178.495 176.000 0.083 0.000 0.977 29 Q CA 0.699 56.530 55.803 0.048 0.000 0.850 29 Q CB -0.062 28.688 28.738 0.021 0.000 0.901 29 Q HN 0.321 nan 8.270 nan 0.000 0.429 30 L N 0.152 121.437 121.223 0.102 0.000 2.046 30 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 30 L C 2.268 179.283 176.870 0.242 0.000 1.077 30 L CA 0.963 55.937 54.840 0.223 0.000 0.747 30 L CB -0.337 41.864 42.059 0.237 0.000 0.896 30 L HN 0.271 nan 8.230 nan 0.000 0.432 31 I N -0.341 120.299 120.570 0.117 0.000 2.315 31 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 31 I C 2.067 178.215 176.117 0.052 0.000 1.117 31 I CA 1.013 62.342 61.300 0.048 0.000 1.404 31 I CB -0.424 37.579 38.000 0.005 0.000 1.071 31 I HN 0.256 nan 8.210 nan 0.000 0.419 32 D N 0.681 121.123 120.400 0.070 0.000 2.104 32 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 32 D C 2.214 178.577 176.300 0.105 0.000 0.994 32 D CA 1.754 55.798 54.000 0.074 0.000 0.830 32 D CB -0.495 40.349 40.800 0.074 0.000 0.959 32 D HN 0.266 nan 8.370 nan 0.000 0.452 33 T N 0.969 115.622 114.554 0.164 0.000 2.708 33 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 33 T C 2.256 177.065 174.700 0.182 0.000 1.037 33 T CA 0.599 62.847 62.100 0.247 0.000 1.146 33 T CB -0.277 68.803 68.868 0.354 0.000 0.865 33 T HN 0.140 nan 8.240 nan 0.000 0.435 34 I N 0.785 121.403 120.570 0.081 0.000 2.208 34 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 34 I C 2.052 178.138 176.117 -0.051 0.000 1.097 34 I CA 1.272 62.509 61.300 -0.105 0.000 1.363 34 I CB -0.337 37.498 38.000 -0.275 0.000 1.051 34 I HN 0.195 nan 8.210 nan 0.000 0.413 35 L N -0.036 121.180 121.223 -0.013 0.000 2.465 35 L HA -0.069 4.271 4.340 -0.000 0.000 0.224 35 L C 1.135 178.011 176.870 0.011 0.000 1.145 35 L CA 0.380 55.216 54.840 -0.006 0.000 0.834 35 L CB -0.553 41.508 42.059 0.002 0.000 0.944 35 L HN 0.258 nan 8.230 nan 0.000 0.451 57 D N 0.881 121.300 120.400 0.032 0.000 2.323 57 D HA 0.005 4.645 4.640 -0.000 0.000 0.209 57 D C 1.764 178.104 176.300 0.066 0.000 0.973 57 D CA 0.269 54.310 54.000 0.068 0.000 0.874 57 D CB 0.251 41.089 40.800 0.063 0.000 0.930 57 D HN 0.008 nan 8.370 nan 0.000 0.521 58 L N 1.414 122.646 121.223 0.014 0.000 2.013 58 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 58 L C -0.852 176.000 176.870 -0.030 0.000 1.073 58 L CA 2.145 56.968 54.840 -0.028 0.000 0.753 58 L CB -1.431 40.594 42.059 -0.057 0.000 0.890 58 L HN -0.014 nan 8.230 nan 0.000 0.432 59 P HA -0.237 nan 4.420 nan 0.000 0.214 59 P C 1.773 179.073 177.300 0.000 0.000 1.163 59 P CA 1.585 64.684 63.100 -0.002 0.000 0.889 59 P CB -0.265 31.455 31.700 0.033 0.000 0.790 60 F N 0.529 120.450 119.950 -0.049 0.000 2.134 60 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 60 F C 1.818 177.594 175.800 -0.040 0.000 1.097 60 F CA 1.437 59.414 58.000 -0.039 0.000 1.264 60 F CB -0.940 38.072 39.000 0.019 0.000 1.001 60 F HN -0.190 nan 8.300 nan 0.000 0.479 61 N N -0.047 118.606 118.700 -0.079 0.000 2.094 61 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 61 N C 1.809 177.198 175.510 -0.201 0.000 1.023 61 N CA 2.191 55.157 53.050 -0.141 0.000 0.857 61 N CB -0.969 37.486 38.487 -0.053 0.000 1.013 61 N HN 0.318 nan 8.380 nan 0.000 0.426 62 T N 1.383 115.826 114.554 -0.186 0.000 2.770 62 T HA 0.053 4.403 4.350 -0.000 0.000 0.263 62 T C 2.167 176.719 174.700 -0.246 0.000 1.039 62 T CA 0.494 62.503 62.100 -0.151 0.000 1.142 62 T CB -0.280 68.513 68.868 -0.124 0.000 0.868 62 T HN 0.110 nan 8.240 nan 0.000 0.435 63 L N 0.915 121.866 121.223 -0.453 0.000 2.012 63 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 63 L C 2.920 179.261 176.870 -0.883 0.000 1.073 63 L CA 1.218 55.535 54.840 -0.872 0.000 0.748 63 L CB -0.609 40.738 42.059 -1.186 0.000 0.891 63 L HN 0.292 nan 8.230 nan 0.000 0.431 64 S N -0.957 114.322 115.700 -0.702 0.000 2.353 64 S HA -0.313 4.157 4.470 -0.000 0.000 0.222 64 S C 2.076 176.633 174.600 -0.072 0.000 1.035 64 S CA 1.839 59.824 58.200 -0.357 0.000 1.025 64 S CB -0.289 62.522 63.200 -0.648 0.000 0.902 64 S HN 0.586 nan 8.310 nan 0.000 0.440 65 H N 0.766 119.734 119.070 -0.171 0.000 2.321 65 H HA 0.073 4.629 4.556 -0.000 0.000 0.300 65 H C 1.970 177.297 175.328 -0.002 0.000 1.087 65 H CA 2.103 58.119 56.048 -0.053 0.000 1.319 65 H CB -0.490 29.244 29.762 -0.047 0.000 1.379 65 H HN 0.366 nan 8.280 nan 0.000 0.501 66 L N -1.147 120.018 121.223 -0.097 0.000 2.017 66 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 66 L C 2.339 179.224 176.870 0.025 0.000 1.073 66 L CA 0.953 55.739 54.840 -0.089 0.000 0.745 66 L CB -0.508 41.501 42.059 -0.085 0.000 0.894 66 L HN 0.408 nan 8.230 nan 0.000 0.432 67 W N 0.664 121.943 121.300 -0.036 0.000 2.335 67 W HA -0.208 4.452 4.660 0.000 0.000 0.311 67 W C 2.691 179.189 176.519 -0.036 0.000 1.213 67 W CA 1.122 58.455 57.345 -0.020 0.000 1.274 67 W CB -0.988 28.458 29.460 -0.024 0.000 1.148 67 W HN 0.306 nan 8.180 nan 0.000 0.498 68 Q N -0.359 119.544 119.800 0.173 0.000 2.124 68 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 68 Q C 2.228 178.246 176.000 0.029 0.000 0.977 68 Q CA 1.552 57.402 55.803 0.077 0.000 0.850 68 Q CB -0.391 28.381 28.738 0.056 0.000 0.901 68 Q HN 0.425 nan 8.270 nan 0.000 0.429 69 Q N 0.233 120.010 119.800 -0.037 0.000 2.046 69 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 69 Q C 2.173 178.232 176.000 0.097 0.000 0.975 69 Q CA 1.066 56.865 55.803 -0.007 0.000 0.836 69 Q CB -0.104 28.582 28.738 -0.088 0.000 0.896 69 Q HN 0.372 nan 8.270 nan 0.000 0.428 70 L N 0.177 121.464 121.223 0.106 0.000 2.012 70 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 70 L C 2.459 179.367 176.870 0.064 0.000 1.073 70 L CA 1.222 56.135 54.840 0.122 0.000 0.748 70 L CB -0.579 41.584 42.059 0.173 0.000 0.891 70 L HN 0.215 nan 8.230 nan 0.000 0.431 71 A N -0.183 122.666 122.820 0.048 0.000 2.066 71 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 71 A C 2.206 179.795 177.584 0.008 0.000 1.157 71 A CA 1.285 53.312 52.037 -0.018 0.000 0.670 71 A CB -0.773 18.220 19.000 -0.012 0.000 0.804 71 A HN 0.443 nan 8.150 nan 0.000 0.453 72 G N -1.768 107.072 108.800 0.067 0.000 3.042 72 G HA2 0.231 4.191 3.960 -0.000 0.000 0.212 72 G HA3 0.231 4.191 3.960 -0.000 0.000 0.212 72 G C 0.261 175.238 174.900 0.128 0.000 1.166 72 G CA -0.426 44.718 45.100 0.073 0.000 0.767 72 G HN 0.372 nan 8.290 nan 0.000 0.546 73 F N 1.923 121.906 119.950 0.053 0.000 2.602 73 F HA 0.362 4.889 4.527 -0.000 0.000 0.385 73 F C 0.502 176.368 175.800 0.110 0.000 1.063 73 F CA 0.349 58.430 58.000 0.135 0.000 1.233 73 F CB 0.489 39.602 39.000 0.189 0.000 1.067 73 F HN -0.159 nan 8.300 nan 0.000 0.564 74 K N 5.732 126.006 120.400 -0.210 0.000 2.502 74 K HA 0.219 4.539 4.320 -0.000 0.000 0.257 74 K C 0.606 177.113 176.600 -0.154 0.000 0.938 74 K CA -1.015 55.241 56.287 -0.052 0.000 0.819 74 K CB 2.261 34.762 32.500 0.001 0.000 1.333 74 K HN 0.630 nan 8.250 nan 0.000 0.434 75 R N 0.928 121.445 120.500 0.027 0.000 2.119 75 R HA -0.194 4.146 4.340 -0.000 0.000 0.246 75 R C 0.201 176.627 176.300 0.210 0.000 1.146 75 R CA 2.188 58.357 56.100 0.115 0.000 0.962 75 R CB 0.110 30.498 30.300 0.146 0.000 0.863 75 R HN 0.541 nan 8.270 nan 0.000 0.442 76 D N -0.609 119.855 120.400 0.107 0.000 2.339 76 D HA 0.051 4.691 4.640 -0.000 0.000 0.217 76 D C -0.700 175.591 176.300 -0.016 0.000 1.050 76 D CA 0.501 54.545 54.000 0.073 0.000 0.856 76 D CB 0.501 41.328 40.800 0.046 0.000 0.922 76 D HN 0.157 nan 8.370 nan 0.000 0.518 77 D N 0.756 121.122 120.400 -0.056 0.000 2.296 77 D HA 0.045 4.685 4.640 -0.000 0.000 0.224 77 D C -1.359 174.850 176.300 -0.152 0.000 1.324 77 D CA -0.650 53.259 54.000 -0.152 0.000 0.940 77 D CB 0.241 40.993 40.800 -0.080 0.000 1.492 77 D HN -0.001 nan 8.370 nan 0.000 0.531 78 W N 1.945 123.102 121.300 -0.239 0.000 3.031 78 W HA 0.771 5.431 4.660 -0.000 0.000 0.337 78 W C -1.335 175.129 176.519 -0.091 0.000 1.187 78 W CA -1.235 55.911 57.345 -0.332 0.000 1.166 78 W CB 1.263 30.194 29.460 -0.883 0.000 1.437 78 W HN 0.277 nan 8.180 nan 0.000 0.551 79 S N 1.683 117.610 115.700 0.378 0.000 2.548 79 S HA 0.609 5.079 4.470 -0.000 0.000 0.276 79 S C -2.037 172.823 174.600 0.433 0.000 1.129 79 S CA -0.541 57.865 58.200 0.343 0.000 0.931 79 S CB 1.543 64.825 63.200 0.137 0.000 1.068 79 S HN 0.471 nan 8.310 nan 0.000 0.480 80 L N 6.449 127.925 121.223 0.423 0.000 2.366 80 L HA 0.592 4.932 4.340 -0.000 0.000 0.266 80 L C -2.479 174.473 176.870 0.137 0.000 1.010 80 L CA -1.700 53.315 54.840 0.291 0.000 0.879 80 L CB 1.799 44.049 42.059 0.319 0.000 1.228 80 L HN 0.439 nan 8.230 nan 0.000 0.439 81 P HA 0.262 nan 4.420 nan 0.000 0.287 81 P C -1.048 176.236 177.300 -0.026 0.000 1.307 81 P CA -0.136 62.986 63.100 0.037 0.000 0.777 81 P CB 0.891 32.621 31.700 0.051 0.000 0.883 82 L N 3.008 124.190 121.223 -0.068 0.000 2.282 82 L HA 0.575 4.915 4.340 -0.000 0.000 0.288 82 L C 0.878 177.661 176.870 -0.145 0.000 1.033 82 L CA -1.020 53.751 54.840 -0.115 0.000 0.807 82 L CB 1.431 43.401 42.059 -0.147 0.000 1.209 82 L HN 0.333 nan 8.230 nan 0.000 0.423 83 A N 3.856 126.599 122.820 -0.129 0.000 2.477 83 A HA 0.440 4.760 4.320 -0.000 0.000 0.246 83 A C -0.110 177.357 177.584 -0.195 0.000 1.078 83 A CA -0.227 51.712 52.037 -0.163 0.000 0.770 83 A CB 0.297 19.238 19.000 -0.099 0.000 1.011 83 A HN 0.449 nan 8.150 nan 0.000 0.494 84 V N 4.611 124.369 119.914 -0.261 0.000 2.350 84 V HA 0.320 4.440 4.120 -0.000 0.000 0.276 84 V C -0.020 175.901 176.094 -0.289 0.000 1.028 84 V CA -0.145 61.996 62.300 -0.265 0.000 0.860 84 V CB 0.716 32.364 31.823 -0.291 0.000 0.990 84 V HN 0.689 nan 8.190 nan 0.000 0.453 85 L N 5.635 126.706 121.223 -0.253 0.000 2.322 85 L HA 0.675 5.015 4.340 -0.000 0.000 0.281 85 L C -0.708 175.981 176.870 -0.302 0.000 1.014 85 L CA -0.810 53.877 54.840 -0.255 0.000 0.815 85 L CB 2.045 44.001 42.059 -0.173 0.000 1.247 85 L HN 0.315 nan 8.230 nan 0.000 0.421 86 V N 1.772 121.469 119.914 -0.361 0.000 2.407 86 V HA 0.219 4.339 4.120 -0.000 0.000 0.291 86 V C -0.508 175.452 176.094 -0.224 0.000 1.018 86 V CA -0.484 61.590 62.300 -0.376 0.000 0.842 86 V CB 1.294 32.750 31.823 -0.612 0.000 0.996 86 V HN 0.803 nan 8.190 nan 0.000 0.426 87 D N 4.713 125.025 120.400 -0.146 0.000 2.686 87 D HA -0.188 4.452 4.640 -0.000 0.000 0.235 87 D C 1.340 177.593 176.300 -0.079 0.000 1.160 87 D CA 1.979 55.928 54.000 -0.084 0.000 0.645 87 D CB -1.041 39.730 40.800 -0.048 0.000 1.039 87 D HN 1.318 nan 8.370 nan 0.000 0.423 88 G N -1.207 107.536 108.800 -0.094 0.000 2.363 88 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.238 88 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.238 88 G C 0.454 175.298 174.900 -0.093 0.000 1.062 88 G CA 0.198 45.251 45.100 -0.077 0.000 0.629 88 G HN 0.408 nan 8.290 nan 0.000 0.514 89 R N 1.378 121.804 120.500 -0.123 0.000 2.308 89 R HA 0.643 4.983 4.340 -0.000 0.000 0.305 89 R C 0.554 176.718 176.300 -0.227 0.000 1.053 89 R CA 0.295 56.311 56.100 -0.139 0.000 0.957 89 R CB 0.948 31.180 30.300 -0.114 0.000 1.022 89 R HN 0.706 nan 8.270 nan 0.000 0.461 90 A N 3.531 126.247 122.820 -0.174 0.000 2.444 90 A HA 0.154 4.474 4.320 -0.000 0.000 0.287 90 A C 1.305 178.723 177.584 -0.277 0.000 1.195 90 A CA -0.327 51.590 52.037 -0.200 0.000 0.858 90 A CB -0.127 18.812 19.000 -0.102 0.000 1.117 90 A HN 0.641 nan 8.150 nan 0.000 0.521 91 V N 1.006 120.657 119.914 -0.438 0.000 3.644 91 V HA 0.622 4.742 4.120 -0.000 0.000 0.267 91 V C 0.756 176.635 176.094 -0.358 0.000 1.277 91 V CA 0.840 62.781 62.300 -0.598 0.000 1.096 91 V CB -0.749 30.485 31.823 -0.982 0.000 0.828 91 V HN 1.471 nan 8.190 nan 0.000 0.446 92 G N -0.783 107.691 108.800 -0.543 0.000 2.325 92 G HA2 0.484 4.444 3.960 -0.000 0.000 0.295 92 G HA3 0.484 4.444 3.960 -0.000 0.000 0.295 92 G C -1.849 172.428 174.900 -1.038 0.000 1.274 92 G CA 0.094 44.537 45.100 -1.095 0.000 0.857 92 G HN 0.444 nan 8.290 nan 0.000 0.499 93 V N 0.405 119.559 119.914 -1.267 0.000 2.638 93 V HA 0.667 4.787 4.120 -0.000 0.000 0.306 93 V C -0.720 175.122 176.094 -0.421 0.000 1.052 93 V CA -0.555 61.315 62.300 -0.717 0.000 0.885 93 V CB 1.690 33.145 31.823 -0.613 0.000 0.999 93 V HN 0.854 nan 8.190 nan 0.000 0.424 94 Q N 3.444 123.104 119.800 -0.234 0.000 2.368 94 Q HA 0.759 5.099 4.340 -0.000 0.000 0.263 94 Q C -0.518 175.447 176.000 -0.058 0.000 1.009 94 Q CA -0.067 55.666 55.803 -0.117 0.000 0.818 94 Q CB 1.643 30.326 28.738 -0.090 0.000 1.239 94 Q HN 0.983 nan 8.270 nan 0.000 0.464 95 A N 3.506 126.326 122.820 -0.000 0.000 2.306 95 A HA 0.814 5.134 4.320 -0.000 0.000 0.330 95 A C -1.514 176.120 177.584 0.083 0.000 1.146 95 A CA -0.594 51.475 52.037 0.054 0.000 0.827 95 A CB 0.983 20.040 19.000 0.095 0.000 1.178 95 A HN 0.686 nan 8.150 nan 0.000 0.490 96 L N 1.241 122.554 121.223 0.150 0.000 2.401 96 L HA 0.756 5.096 4.340 -0.000 0.000 0.266 96 L C 0.011 177.049 176.870 0.280 0.000 0.991 96 L CA 0.373 55.336 54.840 0.204 0.000 0.818 96 L CB 2.220 44.450 42.059 0.285 0.000 1.321 96 L HN 1.012 nan 8.230 nan 0.000 0.413 97 S N 1.842 117.547 115.700 0.009 0.000 2.638 97 S HA 0.944 5.414 4.470 -0.000 0.000 0.274 97 S C -0.914 173.215 174.600 -0.785 0.000 1.157 97 S CA -0.637 57.359 58.200 -0.341 0.000 0.826 97 S CB 1.779 64.893 63.200 -0.144 0.000 1.139 97 S HN 0.812 nan 8.310 nan 0.000 0.474 98 S N -0.127 114.852 115.700 -1.201 0.000 2.560 98 S HA 0.511 4.981 4.470 -0.000 0.000 0.283 98 S C -1.911 172.274 174.600 -0.691 0.000 1.141 98 S CA -0.753 56.935 58.200 -0.854 0.000 0.902 98 S CB 1.361 64.068 63.200 -0.823 0.000 1.104 98 S HN 0.960 nan 8.310 nan 0.000 0.454 99 K N 2.238 122.445 120.400 -0.321 0.000 2.206 99 K HA 0.467 4.787 4.320 -0.000 0.000 0.264 99 K C -0.729 175.818 176.600 -0.088 0.000 0.967 99 K CA -0.298 55.871 56.287 -0.196 0.000 0.844 99 K CB 0.610 33.033 32.500 -0.130 0.000 1.099 99 K HN 0.661 nan 8.250 nan 0.000 0.441 100 D N 3.359 123.738 120.400 -0.034 0.000 2.837 100 D HA -0.240 4.400 4.640 -0.000 0.000 0.230 100 D C 0.414 176.748 176.300 0.057 0.000 1.152 100 D CA 0.742 54.752 54.000 0.017 0.000 0.736 100 D CB -1.232 39.562 40.800 -0.010 0.000 1.084 100 D HN 0.594 nan 8.370 nan 0.000 0.429 101 F N 0.960 120.902 119.950 -0.013 0.000 2.087 101 F HA -0.141 4.385 4.527 -0.000 0.000 0.299 101 F C -0.768 175.095 175.800 0.106 0.000 1.100 101 F CA 1.922 59.964 58.000 0.069 0.000 1.226 101 F CB -1.014 38.141 39.000 0.259 0.000 0.983 101 F HN 0.118 nan 8.300 nan 0.000 0.479 102 P HA -0.163 nan 4.420 nan 0.000 0.219 102 P C 1.775 178.979 177.300 -0.159 0.000 1.146 102 P CA 1.836 64.895 63.100 -0.069 0.000 0.808 102 P CB -0.079 31.674 31.700 0.089 0.000 0.779 103 I N -1.212 119.290 120.570 -0.113 0.000 2.385 103 I HA -0.129 4.041 4.170 -0.000 0.000 0.244 103 I C 2.357 178.387 176.117 -0.144 0.000 1.089 103 I CA 1.843 63.083 61.300 -0.101 0.000 1.410 103 I CB -1.129 36.842 38.000 -0.049 0.000 1.117 103 I HN 0.025 nan 8.210 nan 0.000 0.429 104 T N -1.731 112.734 114.554 -0.149 0.000 2.904 104 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 104 T C 1.090 175.678 174.700 -0.187 0.000 1.059 104 T CA 0.094 62.122 62.100 -0.121 0.000 1.137 104 T CB -0.050 68.784 68.868 -0.057 0.000 0.879 104 T HN 0.217 nan 8.240 nan 0.000 0.467 105 R N 1.077 121.312 120.500 -0.441 0.000 3.627 105 R HA -0.165 4.175 4.340 -0.000 0.000 0.281 105 R C -0.139 176.123 176.300 -0.064 0.000 1.140 105 R CA 0.809 56.546 56.100 -0.604 0.000 0.761 105 R CB -2.842 27.248 30.300 -0.349 0.000 1.181 105 R HN 0.824 nan 8.270 nan 0.000 0.472 106 Q N 0.415 120.268 119.800 0.088 0.000 2.353 106 Q HA 0.588 4.928 4.340 -0.000 0.000 0.268 106 Q C -0.378 175.749 176.000 0.210 0.000 1.045 106 Q CA -0.735 55.157 55.803 0.148 0.000 0.811 106 Q CB 2.248 31.023 28.738 0.061 0.000 1.305 106 Q HN 0.193 nan 8.270 nan 0.000 0.447 107 V N -0.190 119.780 119.914 0.093 0.000 2.960 107 V HA 0.720 4.840 4.120 -0.000 0.000 0.315 107 V C -1.133 174.940 176.094 -0.035 0.000 1.087 107 V CA -0.779 61.500 62.300 -0.034 0.000 0.982 107 V CB 2.214 33.978 31.823 -0.099 0.000 1.039 107 V HN 0.772 nan 8.190 nan 0.000 0.437 108 D N 1.281 121.642 120.400 -0.065 0.000 2.419 108 D HA 0.781 5.421 4.640 -0.000 0.000 0.234 108 D C -0.502 175.802 176.300 0.007 0.000 1.014 108 D CA -0.117 53.876 54.000 -0.012 0.000 0.919 108 D CB 2.139 42.919 40.800 -0.032 0.000 1.366 108 D HN 1.050 nan 8.370 nan 0.000 0.490 109 S N -0.891 114.831 115.700 0.038 0.000 2.599 109 S HA 0.936 5.406 4.470 -0.000 0.000 0.287 109 S C -0.170 174.451 174.600 0.035 0.000 1.105 109 S CA -0.888 57.340 58.200 0.046 0.000 0.899 109 S CB 2.349 65.588 63.200 0.065 0.000 1.100 109 S HN 0.567 nan 8.310 nan 0.000 0.482 110 G N -0.019 108.809 108.800 0.047 0.000 2.704 110 G HA2 0.738 4.698 3.960 -0.000 0.000 0.293 110 G HA3 0.738 4.698 3.960 -0.000 0.000 0.293 110 G C -1.120 173.820 174.900 0.067 0.000 1.421 110 G CA -0.323 44.811 45.100 0.056 0.000 0.870 110 G HN 1.728 nan 8.290 nan 0.000 0.492 111 S N -0.431 115.324 115.700 0.093 0.000 2.587 111 S HA 0.829 5.299 4.470 -0.000 0.000 0.269 111 S C -1.388 173.330 174.600 0.196 0.000 1.154 111 S CA -0.983 57.254 58.200 0.062 0.000 0.824 111 S CB 1.577 64.779 63.200 0.004 0.000 1.118 111 S HN 1.777 nan 8.310 nan 0.000 0.462 112 W N 0.460 121.788 121.300 0.047 0.000 3.062 112 W HA 0.839 5.499 4.660 -0.000 0.000 0.336 112 W C -2.651 173.904 176.519 0.060 0.000 1.224 112 W CA -1.141 56.236 57.345 0.054 0.000 1.159 112 W CB 1.227 30.717 29.460 0.049 0.000 1.454 112 W HN 0.852 nan 8.180 nan 0.000 0.569 113 L N 2.279 123.756 121.223 0.423 0.000 2.470 113 L HA 0.661 5.001 4.340 -0.000 0.000 0.268 113 L C 0.272 177.442 176.870 0.500 0.000 0.964 113 L CA -0.134 54.874 54.840 0.280 0.000 0.839 113 L CB 1.605 43.778 42.059 0.190 0.000 1.276 113 L HN 0.744 nan 8.230 nan 0.000 0.403 114 G N 3.500 112.643 108.800 0.571 0.000 2.368 114 G HA2 0.191 4.151 3.960 -0.000 0.000 0.233 114 G HA3 0.191 4.151 3.960 -0.000 0.000 0.233 114 G C 0.857 175.986 174.900 0.382 0.000 1.267 114 G CA 0.279 45.713 45.100 0.557 0.000 0.873 114 G HN 1.047 nan 8.290 nan 0.000 0.539 115 L N 1.589 122.947 121.223 0.225 0.000 2.042 115 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 115 L C 2.542 179.451 176.870 0.064 0.000 1.076 115 L CA 2.196 57.114 54.840 0.129 0.000 0.749 115 L CB -0.685 41.418 42.059 0.073 0.000 0.893 115 L HN 0.712 nan 8.230 nan 0.000 0.432 116 R N -1.747 118.718 120.500 -0.059 0.000 2.339 116 R HA -0.067 4.273 4.340 -0.000 0.000 0.199 116 R C 0.642 176.719 176.300 -0.371 0.000 1.018 116 R CA 1.019 56.965 56.100 -0.256 0.000 1.036 116 R CB -0.621 29.444 30.300 -0.392 0.000 0.899 116 R HN 0.493 nan 8.270 nan 0.000 0.473 117 Y N 0.580 120.982 120.300 0.171 0.000 2.481 117 Y HA 0.299 4.849 4.550 -0.000 0.000 0.247 117 Y C 0.306 176.376 175.900 0.284 0.000 1.151 117 Y CA -0.692 57.540 58.100 0.219 0.000 1.238 117 Y CB 0.416 38.998 38.460 0.203 0.000 1.179 117 Y HN 0.043 nan 8.280 nan 0.000 0.524 118 Q N -0.091 119.894 119.800 0.308 0.000 2.368 118 Q HA 0.406 4.746 4.340 -0.000 0.000 0.237 118 Q C 1.083 177.177 176.000 0.158 0.000 0.987 118 Q CA 0.608 56.541 55.803 0.217 0.000 0.896 118 Q CB 0.802 29.632 28.738 0.154 0.000 1.241 118 Q HN 0.534 nan 8.270 nan 0.000 0.485 119 G N 0.868 109.700 108.800 0.053 0.000 2.143 119 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.249 119 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.249 119 G C 0.113 174.870 174.900 -0.239 0.000 0.981 119 G CA 0.429 45.482 45.100 -0.077 0.000 0.665 119 G HN 0.799 nan 8.290 nan 0.000 0.528 120 H N -0.758 118.145 119.070 -0.279 0.000 2.755 120 H HA 0.439 4.995 4.556 -0.000 0.000 0.273 120 H C 1.958 177.009 175.328 -0.462 0.000 1.055 120 H CA 0.820 56.574 56.048 -0.489 0.000 1.191 120 H CB 0.797 29.939 29.762 -1.033 0.000 1.536 120 H HN 1.216 nan 8.280 nan 0.000 0.529 121 G N 0.365 109.067 108.800 -0.164 0.000 2.147 121 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.244 121 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.244 121 G C 0.436 175.358 174.900 0.037 0.000 1.005 121 G CA 0.599 45.665 45.100 -0.055 0.000 0.713 121 G HN 0.377 nan 8.290 nan 0.000 0.515 122 Y N 0.304 120.658 120.300 0.091 0.000 2.314 122 Y HA 0.133 4.683 4.550 -0.000 0.000 0.293 122 Y C 2.867 178.782 175.900 0.026 0.000 1.129 122 Y CA 1.122 59.249 58.100 0.045 0.000 1.201 122 Y CB -0.957 37.521 38.460 0.030 0.000 0.999 122 Y HN 0.249 nan 8.280 nan 0.000 0.541 123 G N -0.627 108.282 108.800 0.182 0.000 2.491 123 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 123 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 123 G C 1.809 176.760 174.900 0.085 0.000 1.180 123 G CA 1.830 46.994 45.100 0.107 0.000 0.774 123 G HN 0.341 nan 8.290 nan 0.000 0.562 124 T N 0.061 114.664 114.554 0.082 0.000 2.746 124 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 124 T C 2.149 176.908 174.700 0.098 0.000 1.039 124 T CA 1.565 63.713 62.100 0.080 0.000 1.142 124 T CB -0.101 68.805 68.868 0.063 0.000 0.866 124 T HN 0.533 nan 8.240 nan 0.000 0.444 125 E N 0.955 121.218 120.200 0.104 0.000 2.072 125 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 125 E C 2.337 178.984 176.600 0.079 0.000 0.985 125 E CA 0.926 57.386 56.400 0.099 0.000 0.801 125 E CB -0.136 29.638 29.700 0.123 0.000 0.750 125 E HN 0.613 nan 8.360 nan 0.000 0.452 126 M N -0.484 119.155 119.600 0.066 0.000 2.200 126 M HA -0.020 4.460 4.480 -0.000 0.000 0.265 126 M C 2.225 178.552 176.300 0.045 0.000 1.066 126 M CA 1.353 56.668 55.300 0.024 0.000 1.127 126 M CB -0.257 32.331 32.600 -0.020 0.000 1.379 126 M HN -0.128 nan 8.290 nan 0.000 0.420 127 R N 1.317 121.862 120.500 0.075 0.000 2.081 127 R HA 0.039 4.379 4.340 -0.000 0.000 0.235 127 R C 2.380 178.771 176.300 0.152 0.000 1.131 127 R CA 2.070 58.236 56.100 0.111 0.000 0.960 127 R CB -0.874 29.507 30.300 0.136 0.000 0.856 127 R HN 0.562 nan 8.270 nan 0.000 0.436 128 A N 0.236 123.155 122.820 0.166 0.000 1.933 128 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 128 A C 2.349 180.070 177.584 0.227 0.000 1.175 128 A CA 1.766 53.939 52.037 0.226 0.000 0.628 128 A CB -1.048 18.068 19.000 0.193 0.000 0.814 128 A HN 0.489 nan 8.150 nan 0.000 0.444 129 A N 0.031 122.934 122.820 0.139 0.000 1.865 129 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 129 A C 2.349 180.022 177.584 0.148 0.000 1.191 129 A CA 2.640 54.744 52.037 0.112 0.000 0.623 129 A CB -1.360 17.655 19.000 0.026 0.000 0.826 129 A HN 1.193 nan 8.150 nan 0.000 0.444 130 V N -2.098 117.872 119.914 0.094 0.000 2.667 130 V HA -0.118 4.002 4.120 -0.000 0.000 0.252 130 V C 2.255 178.365 176.094 0.028 0.000 1.065 130 V CA 1.721 64.072 62.300 0.085 0.000 1.083 130 V CB -0.956 30.893 31.823 0.043 0.000 0.692 130 V HN 0.439 nan 8.190 nan 0.000 0.468 131 L N -0.998 120.233 121.223 0.012 0.000 2.046 131 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 131 L C 2.650 179.345 176.870 -0.293 0.000 1.077 131 L CA 2.473 57.190 54.840 -0.205 0.000 0.747 131 L CB -0.788 41.284 42.059 0.021 0.000 0.896 131 L HN 0.438 nan 8.230 nan 0.000 0.432 132 Y N 0.036 120.336 120.300 -0.000 0.000 2.128 132 Y HA -0.364 4.186 4.550 -0.000 0.000 0.284 132 Y C 2.469 178.297 175.900 -0.120 0.000 1.154 132 Y CA 1.771 59.930 58.100 0.098 0.000 1.149 132 Y CB -0.344 38.297 38.460 0.302 0.000 0.976 132 Y HN 0.101 nan 8.280 nan 0.000 0.505 133 F N 0.612 120.514 119.950 -0.080 0.000 2.102 133 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 133 F C 2.316 177.809 175.800 -0.513 0.000 1.105 133 F CA 1.700 59.526 58.000 -0.289 0.000 1.239 133 F CB -1.009 37.860 39.000 -0.218 0.000 0.991 133 F HN 0.100 nan 8.300 nan 0.000 0.474 134 A N 0.045 122.498 122.820 -0.610 0.000 1.858 134 A HA -0.156 4.163 4.320 -0.000 0.000 0.216 134 A C 2.072 179.171 177.584 -0.809 0.000 1.190 134 A CA 1.952 53.517 52.037 -0.786 0.000 0.617 134 A CB -1.429 17.118 19.000 -0.755 0.000 0.827 134 A HN 0.409 nan 8.150 nan 0.000 0.443 135 F N -0.306 119.198 119.950 -0.742 0.000 2.149 135 F HA 0.139 4.666 4.527 0.000 0.000 0.294 135 F C 2.792 178.203 175.800 -0.647 0.000 1.095 135 F CA 0.700 58.227 58.000 -0.790 0.000 1.276 135 F CB -0.818 37.329 39.000 -1.421 0.000 1.023 135 F HN 0.241 nan 8.300 nan 0.000 0.480 136 A N -0.522 121.934 122.820 -0.607 0.000 1.930 136 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 136 A C 2.074 179.350 177.584 -0.514 0.000 1.176 136 A CA 1.271 52.989 52.037 -0.532 0.000 0.632 136 A CB -0.239 18.165 19.000 -0.994 0.000 0.819 136 A HN 0.249 nan 8.150 nan 0.000 0.445 137 E N -0.161 119.583 120.200 -0.761 0.000 2.175 137 E HA 0.141 4.491 4.350 -0.000 0.000 0.195 137 E C 1.896 177.968 176.600 -0.881 0.000 0.934 137 E CA 0.395 56.196 56.400 -0.999 0.000 0.870 137 E CB -0.375 28.295 29.700 -1.717 0.000 0.838 137 E HN 0.554 nan 8.360 nan 0.000 0.474 138 L N 0.893 121.545 121.223 -0.951 0.000 2.478 138 L HA 0.047 4.387 4.340 -0.000 0.000 0.223 138 L C 0.120 176.954 176.870 -0.061 0.000 1.140 138 L CA 0.399 54.913 54.840 -0.544 0.000 0.842 138 L CB -0.382 41.191 42.059 -0.810 0.000 0.953 138 L HN 0.113 nan 8.230 nan 0.000 0.452 139 E N -0.561 119.553 120.200 -0.143 0.000 2.513 139 E HA -0.206 4.144 4.350 -0.000 0.000 0.257 139 E C 0.404 177.069 176.600 0.108 0.000 1.098 139 E CA 0.167 56.562 56.400 -0.008 0.000 0.752 139 E CB -1.323 28.380 29.700 0.006 0.000 1.324 139 E HN 0.518 nan 8.360 nan 0.000 0.403 140 A N 0.574 123.490 122.820 0.159 0.000 2.448 140 A HA 0.108 4.428 4.320 -0.000 0.000 0.239 140 A C 1.258 178.983 177.584 0.236 0.000 1.080 140 A CA 0.165 52.342 52.037 0.233 0.000 0.779 140 A CB 0.478 19.493 19.000 0.026 0.000 1.026 140 A HN 0.236 nan 8.150 nan 0.000 0.499 141 Q N -0.512 119.397 119.800 0.183 0.000 2.396 141 Q HA 0.235 4.575 4.340 -0.000 0.000 0.220 141 Q C -0.468 175.700 176.000 0.279 0.000 0.900 141 Q CA 0.767 56.677 55.803 0.179 0.000 0.925 141 Q CB 0.772 29.544 28.738 0.057 0.000 1.065 141 Q HN 0.498 nan 8.270 nan 0.000 0.535 142 V N 0.259 120.338 119.914 0.274 0.000 2.851 142 V HA 0.706 4.826 4.120 -0.000 0.000 0.307 142 V C -1.278 174.904 176.094 0.146 0.000 1.129 142 V CA -1.022 61.425 62.300 0.245 0.000 0.932 142 V CB 1.953 33.858 31.823 0.137 0.000 1.024 142 V HN 0.108 nan 8.190 nan 0.000 0.426 143 A N 2.554 125.463 122.820 0.149 0.000 2.355 143 A HA 0.973 5.293 4.320 -0.000 0.000 0.317 143 A C -0.095 177.628 177.584 0.232 0.000 1.094 143 A CA -0.257 51.808 52.037 0.047 0.000 0.764 143 A CB 1.718 20.626 19.000 -0.153 0.000 1.230 143 A HN 1.063 nan 8.150 nan 0.000 0.448 144 T N -1.222 113.463 114.554 0.220 0.000 2.930 144 T HA 0.855 5.205 4.350 -0.000 0.000 0.290 144 T C -0.168 174.660 174.700 0.213 0.000 1.052 144 T CA -0.430 61.827 62.100 0.262 0.000 1.017 144 T CB 1.708 70.658 68.868 0.137 0.000 1.137 144 T HN 1.454 nan 8.240 nan 0.000 0.511 145 S N -0.174 115.613 115.700 0.145 0.000 2.588 145 S HA 0.754 5.224 4.470 -0.000 0.000 0.269 145 S C -1.786 172.858 174.600 0.074 0.000 1.157 145 S CA -1.061 57.160 58.200 0.035 0.000 0.824 145 S CB 1.359 64.458 63.200 -0.169 0.000 1.126 145 S HN 1.231 nan 8.310 nan 0.000 0.464 146 R N 0.617 121.134 120.500 0.027 0.000 2.698 146 R HA 0.853 5.193 4.340 -0.000 0.000 0.275 146 R C -1.567 174.715 176.300 -0.031 0.000 1.001 146 R CA -0.787 55.308 56.100 -0.007 0.000 0.896 146 R CB 1.590 31.819 30.300 -0.118 0.000 1.218 146 R HN 0.450 nan 8.270 nan 0.000 0.462 147 S N 1.541 117.235 115.700 -0.010 0.000 2.548 147 S HA 0.517 4.987 4.470 -0.000 0.000 0.286 147 S C -0.823 173.713 174.600 -0.106 0.000 1.098 147 S CA -0.766 57.415 58.200 -0.032 0.000 0.930 147 S CB 0.814 64.106 63.200 0.152 0.000 1.070 147 S HN 0.377 nan 8.310 nan 0.000 0.480 148 F N 1.714 121.698 119.950 0.055 0.000 2.553 148 F HA 0.044 4.571 4.527 -0.000 0.000 0.356 148 F C 2.021 177.848 175.800 0.045 0.000 1.142 148 F CA -0.445 57.576 58.000 0.036 0.000 1.322 148 F CB 0.300 39.317 39.000 0.029 0.000 1.126 148 F HN 0.456 nan 8.300 nan 0.000 0.599 149 V N -0.832 119.218 119.914 0.227 0.000 2.720 149 V HA -0.184 3.936 4.120 -0.000 0.000 0.256 149 V C 0.943 177.113 176.094 0.126 0.000 1.082 149 V CA 1.702 64.084 62.300 0.136 0.000 1.101 149 V CB -0.960 30.918 31.823 0.092 0.000 0.693 149 V HN 0.799 nan 8.190 nan 0.000 0.479 150 D N -0.192 120.294 120.400 0.143 0.000 2.491 150 D HA 0.104 4.744 4.640 -0.000 0.000 0.228 150 D C 0.314 176.684 176.300 0.117 0.000 1.183 150 D CA -0.250 53.810 54.000 0.099 0.000 0.827 150 D CB -0.739 40.092 40.800 0.051 0.000 0.989 150 D HN 0.473 nan 8.370 nan 0.000 0.494 151 N N 1.531 120.325 118.700 0.156 0.000 2.898 151 N HA 0.174 4.914 4.740 -0.000 0.000 0.245 151 N C -1.793 173.781 175.510 0.107 0.000 1.185 151 N CA -2.031 51.104 53.050 0.141 0.000 0.879 151 N CB 1.563 40.164 38.487 0.189 0.000 1.157 151 N HN -0.099 nan 8.380 nan 0.000 0.503 152 P HA -0.059 nan 4.420 nan 0.000 0.221 152 P C 1.004 178.333 177.300 0.049 0.000 1.150 152 P CA 0.650 63.789 63.100 0.064 0.000 0.800 152 P CB 0.398 32.128 31.700 0.050 0.000 0.787 153 A N 0.526 123.378 122.820 0.054 0.000 1.845 153 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 153 A C 2.676 180.277 177.584 0.028 0.000 1.195 153 A CA 2.388 54.452 52.037 0.046 0.000 0.616 153 A CB -1.662 17.378 19.000 0.066 0.000 0.832 153 A HN 0.268 nan 8.150 nan 0.000 0.443 154 S N -0.508 115.215 115.700 0.037 0.000 2.383 154 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 154 S C 1.898 176.451 174.600 -0.079 0.000 1.030 154 S CA 1.548 59.747 58.200 -0.002 0.000 1.002 154 S CB -0.585 62.636 63.200 0.036 0.000 0.829 154 S HN 0.457 nan 8.310 nan 0.000 0.467 155 I N 1.369 121.928 120.570 -0.018 0.000 2.252 155 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 155 I C 2.782 178.821 176.117 -0.129 0.000 1.102 155 I CA 1.054 62.328 61.300 -0.044 0.000 1.385 155 I CB -0.520 37.549 38.000 0.115 0.000 1.064 155 I HN 0.384 nan 8.210 nan 0.000 0.414 156 A N 0.468 123.256 122.820 -0.054 0.000 1.902 156 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 156 A C 2.435 179.977 177.584 -0.069 0.000 1.181 156 A CA 1.601 53.612 52.037 -0.043 0.000 0.623 156 A CB -0.947 18.048 19.000 -0.007 0.000 0.818 156 A HN 0.223 nan 8.150 nan 0.000 0.443 157 V N -0.088 119.780 119.914 -0.077 0.000 2.287 157 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 157 V C 2.819 178.852 176.094 -0.102 0.000 1.053 157 V CA 2.468 64.734 62.300 -0.057 0.000 1.027 157 V CB -0.909 30.889 31.823 -0.041 0.000 0.646 157 V HN 0.566 nan 8.190 nan 0.000 0.447 158 S N -0.659 114.842 115.700 -0.333 0.000 2.368 158 S HA -0.163 4.307 4.470 -0.000 0.000 0.225 158 S C 2.120 176.584 174.600 -0.227 0.000 1.030 158 S CA 1.169 59.020 58.200 -0.581 0.000 0.999 158 S CB -0.279 61.969 63.200 -1.586 0.000 0.844 158 S HN 0.458 nan 8.310 nan 0.000 0.459 159 R N 1.370 121.737 120.500 -0.222 0.000 2.066 159 R HA 0.092 4.432 4.340 -0.000 0.000 0.232 159 R C 2.271 178.586 176.300 0.024 0.000 1.131 159 R CA 1.048 57.120 56.100 -0.045 0.000 0.955 159 R CB -0.641 29.644 30.300 -0.025 0.000 0.851 159 R HN 0.415 nan 8.270 nan 0.000 0.432 160 R N 0.619 121.129 120.500 0.016 0.000 2.152 160 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 160 R C 1.367 177.718 176.300 0.085 0.000 1.117 160 R CA 0.774 56.899 56.100 0.042 0.000 0.981 160 R CB -0.120 30.200 30.300 0.032 0.000 0.870 160 R HN 0.266 nan 8.270 nan 0.000 0.451 161 N N -0.083 118.703 118.700 0.143 0.000 2.322 161 N HA 0.013 4.753 4.740 -0.000 0.000 0.194 161 N C 0.506 176.121 175.510 0.176 0.000 1.126 161 N CA 0.798 53.971 53.050 0.205 0.000 0.845 161 N CB 1.241 39.920 38.487 0.320 0.000 0.976 161 N HN 0.363 nan 8.380 nan 0.000 0.475 162 G N 0.871 109.764 108.800 0.155 0.000 2.147 162 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 162 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 162 G C -0.221 174.767 174.900 0.146 0.000 1.005 162 G CA -0.125 45.041 45.100 0.110 0.000 0.713 162 G HN 0.390 nan 8.290 nan 0.000 0.515 163 Y N 0.287 120.631 120.300 0.073 0.000 2.457 163 Y HA 0.414 4.964 4.550 -0.000 0.000 0.341 163 Y C 1.662 177.679 175.900 0.195 0.000 1.240 163 Y CA -0.222 57.963 58.100 0.141 0.000 1.437 163 Y CB 0.521 39.057 38.460 0.126 0.000 1.328 163 Y HN 0.184 nan 8.280 nan 0.000 0.588 164 R N 1.223 121.950 120.500 0.378 0.000 2.500 164 R HA 0.149 4.489 4.340 -0.000 0.000 0.275 164 R C -1.048 175.444 176.300 0.320 0.000 1.051 164 R CA -1.070 55.199 56.100 0.281 0.000 1.088 164 R CB 0.447 30.853 30.300 0.176 0.000 1.063 164 R HN 0.590 nan 8.270 nan 0.000 0.511 165 D N 1.038 121.552 120.400 0.190 0.000 2.488 165 D HA -0.033 4.607 4.640 -0.000 0.000 0.238 165 D C 0.338 176.641 176.300 0.005 0.000 1.138 165 D CA 0.775 54.794 54.000 0.033 0.000 0.873 165 D CB 0.436 41.239 40.800 0.006 0.000 1.183 165 D HN 0.419 nan 8.370 nan 0.000 0.458 166 N N 0.523 119.169 118.700 -0.091 0.000 2.387 166 N HA 0.336 5.076 4.740 -0.000 0.000 0.259 166 N C -0.572 174.884 175.510 -0.089 0.000 1.369 166 N CA 0.025 53.048 53.050 -0.045 0.000 0.867 166 N CB 0.593 39.087 38.487 0.012 0.000 1.341 166 N HN 0.566 nan 8.380 nan 0.000 0.495 167 G N 0.183 108.907 108.800 -0.126 0.000 2.392 167 G HA2 0.113 4.073 3.960 -0.000 0.000 0.677 167 G HA3 0.113 4.073 3.960 -0.000 0.000 0.677 167 G C -2.261 172.557 174.900 -0.137 0.000 1.334 167 G CA -0.894 44.143 45.100 -0.105 0.000 0.961 167 G HN 0.198 nan 8.290 nan 0.000 0.616 168 L N 0.906 122.074 121.223 -0.090 0.000 2.356 168 L HA 0.890 5.230 4.340 -0.000 0.000 0.277 168 L C -0.661 176.177 176.870 -0.053 0.000 0.996 168 L CA -0.617 54.176 54.840 -0.077 0.000 0.822 168 L CB 1.810 43.838 42.059 -0.052 0.000 1.256 168 L HN 0.819 nan 8.230 nan 0.000 0.413 169 D N 2.950 123.321 120.400 -0.048 0.000 2.531 169 D HA 0.596 5.236 4.640 -0.000 0.000 0.244 169 D C -1.130 175.172 176.300 0.004 0.000 1.090 169 D CA -0.467 53.517 54.000 -0.026 0.000 0.989 169 D CB 2.046 42.822 40.800 -0.040 0.000 1.433 169 D HN 0.480 nan 8.370 nan 0.000 0.492 170 R N 0.283 120.795 120.500 0.020 0.000 2.628 170 R HA 0.654 4.994 4.340 -0.000 0.000 0.288 170 R C -0.961 175.376 176.300 0.062 0.000 0.980 170 R CA -0.947 55.181 56.100 0.048 0.000 0.891 170 R CB 2.030 32.349 30.300 0.032 0.000 1.188 170 R HN 0.321 nan 8.270 nan 0.000 0.450 171 V N -1.218 118.761 119.914 0.108 0.000 3.167 171 V HA 0.894 5.014 4.120 -0.000 0.000 0.310 171 V C -0.697 175.456 176.094 0.099 0.000 1.207 171 V CA -1.216 61.150 62.300 0.110 0.000 1.059 171 V CB 1.916 33.834 31.823 0.158 0.000 1.079 171 V HN 0.819 nan 8.190 nan 0.000 0.446 172 A N 1.667 124.531 122.820 0.073 0.000 2.320 172 A HA 0.800 5.120 4.320 -0.000 0.000 0.287 172 A C 0.112 177.720 177.584 0.039 0.000 1.181 172 A CA -0.484 51.577 52.037 0.040 0.000 0.831 172 A CB 0.312 19.327 19.000 0.025 0.000 1.102 172 A HN 0.973 nan 8.150 nan 0.000 0.513 173 R N 2.517 123.002 120.500 -0.026 0.000 2.468 173 R HA 0.359 4.699 4.340 -0.000 0.000 0.302 173 R C -0.804 175.437 176.300 -0.099 0.000 1.041 173 R CA -0.215 55.828 56.100 -0.096 0.000 0.899 173 R CB 0.302 30.405 30.300 -0.328 0.000 1.167 173 R HN 0.931 nan 8.270 nan 0.000 0.483 174 E N 2.702 122.864 120.200 -0.064 0.000 2.297 174 E HA -0.252 4.098 4.350 -0.000 0.000 0.228 174 E C 0.533 177.106 176.600 -0.045 0.000 1.213 174 E CA 0.815 57.182 56.400 -0.055 0.000 0.712 174 E CB -1.089 28.567 29.700 -0.073 0.000 1.202 174 E HN 1.180 nan 8.360 nan 0.000 0.376 175 G N -1.698 107.084 108.800 -0.031 0.000 2.184 175 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 175 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 175 G C 0.214 175.099 174.900 -0.025 0.000 0.975 175 G CA 0.315 45.402 45.100 -0.022 0.000 0.642 175 G HN 1.054 nan 8.290 nan 0.000 0.536 176 A N 0.014 122.812 122.820 -0.037 0.000 2.384 176 A HA 0.848 5.168 4.320 -0.000 0.000 0.312 176 A C 0.260 177.825 177.584 -0.032 0.000 1.113 176 A CA -0.261 51.755 52.037 -0.036 0.000 0.779 176 A CB 1.275 20.246 19.000 -0.048 0.000 1.307 176 A HN 0.825 nan 8.150 nan 0.000 0.436 177 M N 1.877 121.467 119.600 -0.017 0.000 2.219 177 M HA 0.484 4.964 4.480 -0.000 0.000 0.353 177 M C -0.186 176.111 176.300 -0.005 0.000 1.304 177 M CA 0.173 55.473 55.300 0.000 0.000 1.115 177 M CB 0.263 32.868 32.600 0.007 0.000 1.664 177 M HN 0.884 nan 8.290 nan 0.000 0.459 178 A N 5.831 128.668 122.820 0.028 0.000 2.356 178 A HA 0.567 4.887 4.320 -0.000 0.000 0.310 178 A C -0.603 177.082 177.584 0.168 0.000 1.075 178 A CA -0.739 51.333 52.037 0.058 0.000 0.746 178 A CB 1.054 20.012 19.000 -0.069 0.000 1.221 178 A HN 0.854 nan 8.150 nan 0.000 0.443 179 E N 0.590 120.875 120.200 0.143 0.000 2.343 179 E HA 0.543 4.893 4.350 -0.000 0.000 0.269 179 E C -0.123 176.578 176.600 0.168 0.000 1.047 179 E CA -0.205 56.265 56.400 0.118 0.000 0.874 179 E CB 1.651 31.390 29.700 0.064 0.000 1.033 179 E HN 0.770 nan 8.360 nan 0.000 0.409 180 A N 3.307 126.166 122.820 0.065 0.000 2.414 180 A HA 0.532 4.851 4.320 -0.000 0.000 0.306 180 A C -0.967 176.562 177.584 -0.091 0.000 1.054 180 A CA -0.695 51.327 52.037 -0.026 0.000 0.724 180 A CB 0.834 19.752 19.000 -0.137 0.000 1.267 180 A HN 0.515 nan 8.150 nan 0.000 0.418 181 L N 2.245 123.383 121.223 -0.142 0.000 2.289 181 L HA 0.438 4.778 4.340 -0.000 0.000 0.285 181 L C -0.941 175.655 176.870 -0.458 0.000 1.049 181 L CA -0.723 53.923 54.840 -0.322 0.000 0.804 181 L CB 1.116 42.950 42.059 -0.376 0.000 1.195 181 L HN 0.536 nan 8.230 nan 0.000 0.428 182 L N 3.398 124.333 121.223 -0.481 0.000 2.322 182 L HA 0.537 4.877 4.340 -0.000 0.000 0.279 182 L C -0.560 175.972 176.870 -0.564 0.000 1.036 182 L CA 0.268 54.886 54.840 -0.371 0.000 0.807 182 L CB 1.187 43.142 42.059 -0.173 0.000 1.226 182 L HN 0.217 nan 8.230 nan 0.000 0.433 183 F N 1.504 121.444 119.950 -0.018 0.000 2.563 183 F HA 0.717 5.244 4.527 -0.000 0.000 0.316 183 F C -0.021 175.904 175.800 0.210 0.000 1.076 183 F CA -0.780 57.249 58.000 0.048 0.000 0.921 183 F CB 1.922 40.820 39.000 -0.171 0.000 1.209 183 F HN 0.297 nan 8.300 nan 0.000 0.462 184 R N 2.671 123.478 120.500 0.510 0.000 2.574 184 R HA 0.775 5.115 4.340 -0.000 0.000 0.288 184 R C -2.445 174.058 176.300 0.339 0.000 1.004 184 R CA -0.817 55.516 56.100 0.388 0.000 0.895 184 R CB 1.892 32.318 30.300 0.210 0.000 1.191 184 R HN 0.695 nan 8.270 nan 0.000 0.444 185 L N 3.633 124.975 121.223 0.198 0.000 2.409 185 L HA 0.511 4.851 4.340 -0.000 0.000 0.272 185 L C -0.700 176.256 176.870 0.143 0.000 0.980 185 L CA -0.060 54.798 54.840 0.029 0.000 0.826 185 L CB 2.161 43.988 42.059 -0.387 0.000 1.268 185 L HN 0.844 nan 8.230 nan 0.000 0.407 186 T N 0.731 115.324 114.554 0.064 0.000 2.918 186 T HA 0.356 4.706 4.350 -0.000 0.000 0.283 186 T C 1.077 175.632 174.700 -0.241 0.000 1.001 186 T CA -0.384 61.727 62.100 0.019 0.000 1.041 186 T CB 1.268 70.147 68.868 0.018 0.000 1.028 186 T HN 0.784 nan 8.240 nan 0.000 0.511 187 R N 0.799 121.110 120.500 -0.314 0.000 2.091 187 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 187 R C 1.796 177.910 176.300 -0.310 0.000 1.136 187 R CA 2.341 58.046 56.100 -0.659 0.000 0.959 187 R CB -0.582 29.578 30.300 -0.234 0.000 0.856 187 R HN 0.910 nan 8.270 nan 0.000 0.437 188 D N -0.170 120.139 120.400 -0.152 0.000 2.144 188 D HA -0.203 4.437 4.640 -0.000 0.000 0.200 188 D C 1.484 177.710 176.300 -0.123 0.000 0.978 188 D CA 1.088 55.023 54.000 -0.109 0.000 0.833 188 D CB -0.665 40.092 40.800 -0.072 0.000 0.961 188 D HN 0.228 nan 8.370 nan 0.000 0.470 189 D N 0.167 120.524 120.400 -0.071 0.000 2.097 189 D HA -0.178 4.462 4.640 -0.000 0.000 0.195 189 D C 1.923 178.223 176.300 -0.001 0.000 0.989 189 D CA 1.036 55.051 54.000 0.025 0.000 0.827 189 D CB -0.630 40.219 40.800 0.081 0.000 0.966 189 D HN 0.370 nan 8.370 nan 0.000 0.456 190 W N 1.360 122.485 121.300 -0.291 0.000 2.335 190 W HA -0.170 4.490 4.660 0.000 0.000 0.311 190 W C 2.467 178.833 176.519 -0.255 0.000 1.213 190 W CA 1.970 59.134 57.345 -0.301 0.000 1.274 190 W CB -0.433 28.648 29.460 -0.632 0.000 1.148 190 W HN 0.040 nan 8.180 nan 0.000 0.498 191 Q N -0.181 119.480 119.800 -0.232 0.000 2.112 191 Q HA -0.251 4.089 4.340 -0.000 0.000 0.206 191 Q C 2.176 177.904 176.000 -0.454 0.000 0.987 191 Q CA 2.169 57.734 55.803 -0.397 0.000 0.858 191 Q CB -0.296 28.355 28.738 -0.145 0.000 0.905 191 Q HN 0.386 nan 8.270 nan 0.000 0.420 192 R N -1.403 118.816 120.500 -0.469 0.000 2.210 192 R HA 0.012 4.352 4.340 -0.000 0.000 0.203 192 R C 0.858 176.751 176.300 -0.679 0.000 1.010 192 R CA 0.819 56.562 56.100 -0.596 0.000 1.008 192 R CB 0.260 30.112 30.300 -0.746 0.000 0.923 192 R HN 0.405 nan 8.270 nan 0.000 0.469 193 H N -0.654 118.285 119.070 -0.218 0.000 3.170 193 H HA 0.143 4.699 4.556 -0.000 0.000 0.264 193 H C -0.079 175.122 175.328 -0.212 0.000 1.113 193 H CA -0.612 55.335 56.048 -0.169 0.000 1.194 193 H CB 0.522 30.225 29.762 -0.099 0.000 1.553 193 H HN 0.021 nan 8.280 nan 0.000 0.538 194 R N 1.391 121.697 120.500 -0.324 0.000 2.734 194 R HA 0.088 4.428 4.340 -0.000 0.000 0.266 194 R C 0.270 176.458 176.300 -0.187 0.000 1.044 194 R CA 1.154 57.047 56.100 -0.345 0.000 1.128 194 R CB 0.370 30.178 30.300 -0.819 0.000 1.010 194 R HN 0.195 nan 8.270 nan 0.000 0.461 195 T N -2.676 111.825 114.554 -0.088 0.000 3.028 195 T HA 0.138 4.488 4.350 -0.000 0.000 0.262 195 T C 0.200 174.887 174.700 -0.021 0.000 0.916 195 T CA -0.369 61.702 62.100 -0.048 0.000 0.873 195 T CB 0.377 69.235 68.868 -0.017 0.000 1.232 195 T HN 0.253 nan 8.240 nan 0.000 0.529 196 V N 2.655 122.575 119.914 0.010 0.000 2.461 196 V HA 0.365 4.485 4.120 -0.000 0.000 0.275 196 V C 0.332 176.422 176.094 -0.007 0.000 1.047 196 V CA -0.839 61.474 62.300 0.022 0.000 0.955 196 V CB 1.220 33.081 31.823 0.063 0.000 0.988 196 V HN 0.472 nan 8.190 nan 0.000 0.471 197 E N 3.890 124.068 120.200 -0.037 0.000 2.265 197 E HA 0.339 4.689 4.350 -0.000 0.000 0.272 197 E C -1.165 175.349 176.600 -0.143 0.000 1.067 197 E CA -0.150 56.200 56.400 -0.083 0.000 0.900 197 E CB 0.791 30.455 29.700 -0.060 0.000 1.017 197 E HN 0.535 nan 8.360 nan 0.000 0.431 198 V N 5.415 125.141 119.914 -0.313 0.000 2.656 198 V HA 0.455 4.575 4.120 -0.000 0.000 0.307 198 V C -0.179 175.540 176.094 -0.624 0.000 1.051 198 V CA -0.860 61.158 62.300 -0.470 0.000 0.893 198 V CB 1.896 33.362 31.823 -0.595 0.000 0.999 198 V HN 0.633 nan 8.190 nan 0.000 0.426 199 R N 2.587 122.892 120.500 -0.326 0.000 2.562 199 R HA 0.819 5.159 4.340 -0.000 0.000 0.298 199 R C -1.870 174.399 176.300 -0.053 0.000 0.961 199 R CA -0.432 55.563 56.100 -0.175 0.000 0.881 199 R CB 2.123 32.373 30.300 -0.083 0.000 1.159 199 R HN 0.542 nan 8.270 nan 0.000 0.450 200 V N 4.331 124.293 119.914 0.081 0.000 2.448 200 V HA 0.371 4.491 4.120 -0.000 0.000 0.295 200 V C -0.581 175.582 176.094 0.115 0.000 1.025 200 V CA -0.621 61.761 62.300 0.137 0.000 0.859 200 V CB 1.774 33.755 31.823 0.263 0.000 0.988 200 V HN 0.818 nan 8.190 nan 0.000 0.431 201 D N 2.969 123.417 120.400 0.080 0.000 2.433 201 D HA 0.540 5.180 4.640 -0.000 0.000 0.236 201 D C 0.878 177.228 176.300 0.084 0.000 1.026 201 D CA 0.382 54.425 54.000 0.073 0.000 0.884 201 D CB 2.194 43.013 40.800 0.031 0.000 1.384 201 D HN 0.847 nan 8.370 nan 0.000 0.477 202 G N 0.867 109.713 108.800 0.078 0.000 2.153 202 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.252 202 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.252 202 G C 0.531 175.482 174.900 0.085 0.000 0.994 202 G CA 0.441 45.570 45.100 0.048 0.000 0.698 202 G HN 0.484 nan 8.290 nan 0.000 0.521 203 F N 1.097 121.054 119.950 0.012 0.000 2.416 203 F HA 0.174 4.701 4.527 0.000 0.000 0.296 203 F C 1.987 177.792 175.800 0.008 0.000 1.099 203 F CA 1.372 59.394 58.000 0.035 0.000 1.427 203 F CB 0.122 39.178 39.000 0.092 0.000 1.079 203 F HN 0.111 nan 8.300 nan 0.000 0.536 204 D N 0.471 120.811 120.400 -0.101 0.000 2.133 204 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 204 D C 2.241 178.380 176.300 -0.269 0.000 0.997 204 D CA 1.357 55.242 54.000 -0.191 0.000 0.840 204 D CB -0.312 40.458 40.800 -0.051 0.000 0.947 204 D HN 0.300 nan 8.370 nan 0.000 0.452 205 R N -0.492 119.881 120.500 -0.212 0.000 2.235 205 R HA 0.020 4.360 4.340 -0.000 0.000 0.213 205 R C 2.015 178.139 176.300 -0.294 0.000 1.059 205 R CA 0.459 56.435 56.100 -0.207 0.000 0.997 205 R CB -0.071 30.138 30.300 -0.152 0.000 0.884 205 R HN 0.237 nan 8.270 nan 0.000 0.462 206 C N -0.728 118.335 119.300 -0.396 0.000 2.533 206 C HA 0.124 4.583 4.460 -0.000 0.000 0.272 206 C C 2.404 177.162 174.990 -0.387 0.000 1.371 206 C CA -0.335 58.441 59.018 -0.404 0.000 1.758 206 C CB -0.624 26.978 27.740 -0.229 0.000 1.972 206 C HN 0.475 nan 8.230 nan 0.000 0.522 207 R N 1.783 121.877 120.500 -0.677 0.000 2.113 207 R HA -0.179 4.161 4.340 -0.000 0.000 0.244 207 R C -0.804 175.432 176.300 -0.106 0.000 1.142 207 R CA 2.163 57.931 56.100 -0.554 0.000 0.953 207 R CB -1.212 28.791 30.300 -0.495 0.000 0.860 207 R HN 0.346 nan 8.270 nan 0.000 0.438 208 P HA -0.118 nan 4.420 nan 0.000 0.220 208 P C 0.881 178.188 177.300 0.011 0.000 1.148 208 P CA 1.162 64.247 63.100 -0.025 0.000 0.803 208 P CB -0.070 31.601 31.700 -0.048 0.000 0.782 209 L N -3.292 117.894 121.223 -0.062 0.000 2.275 209 L HA -0.073 4.267 4.340 -0.000 0.000 0.215 209 L C 1.753 178.600 176.870 -0.039 0.000 1.119 209 L CA 1.189 55.975 54.840 -0.090 0.000 0.790 209 L CB -0.716 41.096 42.059 -0.412 0.000 0.919 209 L HN -0.063 nan 8.230 nan 0.000 0.443 210 F N -0.542 119.472 119.950 0.106 0.000 2.717 210 F HA 0.319 4.846 4.527 0.000 0.000 0.295 210 F C 1.384 177.322 175.800 0.230 0.000 1.117 210 F CA 0.016 58.102 58.000 0.145 0.000 1.361 210 F CB 0.392 39.434 39.000 0.071 0.000 1.112 210 F HN -0.050 nan 8.300 nan 0.000 0.594 211 G N 0.000 108.993 108.800 0.321 0.000 5.446 211 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 211 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 211 G CA 0.000 45.248 45.100 0.246 0.000 0.502 211 G HN 0.000 nan 8.290 nan 0.000 0.925